Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pup_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N TYR 22.A O no hydrogen 2.917 N/A THR 5.A OG1 SER 21.A OG no hydrogen 2.788 N/A VAL 6.A N VAL 20.A O no hydrogen 2.982 N/A ALA 8.A N GLN 18.A O no hydrogen 3.047 N/A THR 9.A N PHE 81.A O no hydrogen 3.130 N/A GLY 11.A N ARG 79.A O no hydrogen 3.091 N/A GLN 12.A NE2 LEU 70.A O no hydrogen 2.820 N/A ARG 16.A N PRO 14.A O no hydrogen 3.055 N/A GLN 18.A N ALA 8.A O no hydrogen 3.147 N/A VAL 20.A N VAL 6.A O no hydrogen 3.029 N/A SER 21.A OG THR 5.A OG1 no hydrogen 2.788 N/A TYR 22.A N THR 4.A O no hydrogen 2.924 N/A THR 23.A N LYS 40.A O no hydrogen 3.130 N/A THR 23.A OG1 LYS 2.A O no hydrogen 2.489 N/A LYS 26.A N GLN 38.A O no hydrogen 2.977 N/A ILE 28.A N VAL 36.A O no hydrogen 2.822 N/A GLY 29.A N VAL 36.A O no hydrogen 3.277 N/A GLY 31.A N GLY 34.A O no hydrogen 3.070 N/A GLY 34.A N GLY 31.A O no hydrogen 3.066 N/A VAL 35.A N LYS 52.A O no hydrogen 3.232 N/A VAL 36.A N GLY 29.A O no hydrogen 2.846 N/A TYR 37.A N ILE 50.A O no hydrogen 2.883 N/A GLN 38.A N LYS 26.A O no hydrogen 2.652 N/A ALA 39.A N VAL 48.A O no hydrogen 3.096 N/A LYS 40.A N THR 23.A O no hydrogen 2.969 N/A LEU 41.A N GLU 46.A O no hydrogen 2.838 N/A CYS 42.A N SER 21.A O no hydrogen 2.861 N/A SER 44.A OG GLU 46.A OE1 no hydrogen 3.407 N/A GLY 45.A N LEU 41.A O no hydrogen 2.752 N/A VAL 48.A N ALA 39.A O no hydrogen 2.922 N/A ALA 49.A N LEU 97.A O no hydrogen 2.897 N/A ILE 50.A N TYR 37.A O no hydrogen 3.084 N/A LYS 51.A N LEU 95.A O no hydrogen 2.839 N/A LYS 51.A NZ GLU 63.A OE1 no hydrogen 2.938 N/A LYS 51.A NZ GLU 63.A OE2 no hydrogen 2.807 N/A LYS 52.A N VAL 35.A O no hydrogen 2.865 N/A VAL 53.A N LEU 93.A O no hydrogen 3.139 N/A GLN 55.A N VAL 91.A O no hydrogen 2.614 N/A LEU 64.A N ASN 61.A OD1 no hydrogen 2.987 N/A GLN 65.A N ASN 61.A O no hydrogen 3.038 N/A ILE 66.A N ARG 62.A O no hydrogen 3.015 N/A MET 67.A N GLU 63.A O no hydrogen 2.833 N/A ARG 68.A N LEU 64.A O no hydrogen 3.136 N/A ARG 68.A NE GLY 11.A O no hydrogen 3.401 N/A ARG 68.A NH1 ASP 15.A OD2 no hydrogen 3.023 N/A LYS 69.A N ILE 66.A O no hydrogen 2.907 N/A LEU 70.A N MET 67.A O no hydrogen 3.379 N/A ASP 71.A N TYR 136.A OH no hydrogen 3.173 N/A ASN 74.A N HIS 72.A ND1 no hydrogen 2.988 N/A ASN 74.A ND2 GLN 129.A OE1 no hydrogen 2.979 N/A ASN 74.A ND2 LEU 161.A O no hydrogen 2.851 N/A VAL 76.A N LEU 163.A O no hydrogen 3.136 N/A ARG 77.A N ASP 98.A OD2 no hydrogen 3.089 N/A ARG 77.A NH2 GLN 12.A OE1 no hydrogen 3.086 N/A ARG 79.A N VAL 96.A O no hydrogen 2.693 N/A ARG 79.A NE ASP 98.A OD1 no hydrogen 2.885 N/A ARG 79.A NH1 GLU 46.A OE1 no hydrogen 3.308 N/A ARG 79.A NH2 GLU 46.A OE2 no hydrogen 3.060 N/A ARG 79.A NH2 ASP 98.A OD1 no hydrogen 3.174 N/A TYR 80.A N VAL 96.A O no hydrogen 3.264 N/A PHE 81.A N THR 9.A O no hydrogen 2.905 N/A PHE 82.A N ASN 94.A O no hydrogen 3.032 N/A SER 84.A N TYR 92.A O no hydrogen 2.907 N/A LYS 87.A N TYR 92.A OH no hydrogen 2.915 N/A TYR 92.A N SER 84.A O no hydrogen 2.941 N/A LEU 93.A N VAL 53.A O no hydrogen 2.782 N/A ASN 94.A N PHE 82.A O no hydrogen 2.809 N/A ASN 94.A ND2 PHE 82.A O no hydrogen 3.007 N/A ASN 94.A ND2 SER 84.A OG no hydrogen 3.416 N/A LEU 95.A N LYS 51.A O no hydrogen 2.825 N/A VAL 96.A N TYR 80.A O no hydrogen 2.708 N/A LEU 97.A N ALA 49.A O no hydrogen 2.653 N/A ASP 98.A N ARG 77.A O no hydrogen 3.188 N/A GLU 102.A N LEU 154.A O no hydrogen 3.105 N/A VAL 104.A N LEU 152.A O no hydrogen 2.839 N/A ARG 106.A N THR 103.A OG1 no hydrogen 3.167 N/A VAL 107.A N THR 103.A O no hydrogen 3.143 N/A ALA 108.A N VAL 104.A O no hydrogen 2.709 N/A ARG 109.A N TYR 105.A O no hydrogen 2.924 N/A HIS 110.A N ARG 106.A O no hydrogen 2.847 N/A TYR 111.A N VAL 107.A O no hydrogen 3.026 N/A SER 112.A N ALA 108.A O no hydrogen 3.031 N/A SER 112.A OG GLY 218.A O no hydrogen 2.899 N/A ARG 113.A N ARG 109.A O no hydrogen 2.796 N/A ALA 114.A N HIS 110.A O no hydrogen 3.231 N/A LYS 115.A N SER 112.A O no hydrogen 2.797 N/A GLN 116.A N TYR 111.A O no hydrogen 3.093 N/A TYR 122.A N PRO 119.A O no hydrogen 2.772 N/A VAL 123.A N PRO 119.A O no hydrogen 3.316 N/A LYS 124.A N VAL 120.A O no hydrogen 2.781 N/A LYS 124.A NZ GLU 306.A OE1 no hydrogen 3.172 N/A LEU 125.A N ILE 121.A O no hydrogen 2.903 N/A TYR 126.A N TYR 122.A O no hydrogen 3.044 N/A MET 127.A N VAL 123.A O no hydrogen 2.931 N/A TYR 128.A N LYS 124.A O no hydrogen 3.149 N/A TYR 128.A OH LEU 323.A O no hydrogen 2.570 N/A GLN 129.A N LEU 125.A O no hydrogen 3.039 N/A GLN 129.A NE2 LEU 125.A O no hydrogen 3.030 N/A GLN 129.A NE2 ALA 159.A O no hydrogen 2.744 N/A LEU 130.A N TYR 126.A O no hydrogen 2.885 N/A PHE 131.A N MET 127.A O no hydrogen 2.869 N/A ARG 132.A N TYR 128.A O no hydrogen 2.965 N/A ARG 132.A NE GLU 330.A OE1 no hydrogen 3.023 N/A ARG 132.A NH1 ASN 325.A OD1 no hydrogen 2.978 N/A ARG 132.A NH2 ASN 325.A OD1 no hydrogen 3.120 N/A ARG 132.A NH2 GLU 330.A OE1 no hydrogen 3.390 N/A ARG 132.A NH2 GLU 330.A OE2 no hydrogen 2.919 N/A SER 133.A N GLN 129.A O no hydrogen 3.136 N/A SER 133.A OG LEU 130.A O no hydrogen 2.809 N/A LEU 134.A N LEU 130.A O no hydrogen 3.182 N/A ALA 135.A N PHE 131.A O no hydrogen 3.084 N/A TYR 136.A N ARG 132.A O no hydrogen 2.974 N/A ILE 137.A N SER 133.A O no hydrogen 3.110 N/A HIS 138.A N LEU 134.A O no hydrogen 2.675 N/A HIS 138.A NE2 ASP 204.A OD2 no hydrogen 3.150 N/A SER 139.A N ALA 135.A O no hydrogen 3.225 N/A SER 139.A N TYR 136.A O no hydrogen 3.053 N/A SER 139.A OG TYR 136.A O no hydrogen 2.638 N/A PHE 140.A N ILE 137.A O no hydrogen 3.063 N/A GLY 141.A N HIS 138.A O no hydrogen 2.587 N/A ILE 142.A N ILE 137.A O no hydrogen 3.159 N/A CYS 143.A N LYS 170.A O no hydrogen 2.857 N/A CYS 143.A SG ASP 204.A OD2 no hydrogen 3.251 N/A HIS 144.A N ASP 204.A OD2 no hydrogen 2.722 N/A HIS 144.A NE2 CYS 164.A O no hydrogen 3.096 N/A ARG 145.A N ASP 204.A OD1 no hydrogen 2.859 N/A ARG 145.A NE SER 168.A O no hydrogen 2.801 N/A ARG 145.A NH1 SER 168.A O no hydrogen 3.174 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 3.056 N/A LYS 148.A NZ SER 184.A OG no hydrogen 3.251 N/A ASN 151.A N LYS 148.A O no hydrogen 2.974 N/A ASN 151.A ND2 ASP 146.A O no hydrogen 2.610 N/A LEU 152.A N PRO 149.A O no hydrogen 3.138 N/A LEU 153.A N LYS 162.A O no hydrogen 2.988 N/A LEU 154.A N GLU 102.A O no hydrogen 2.938 N/A ASP 155.A N VAL 160.A O no hydrogen 3.051 N/A ASP 157.A N ASP 155.A OD1 no hydrogen 3.092 N/A ALA 159.A N ASP 155.A O no hydrogen 2.862 N/A LEU 161.A N GLN 129.A OE1 no hydrogen 2.735 N/A LYS 162.A N LEU 153.A O no hydrogen 3.058 N/A LYS 162.A NZ CYS 73.A O no hydrogen 2.963 N/A LEU 163.A N ASN 74.A O no hydrogen 2.971 N/A CYS 164.A N ASN 151.A O no hydrogen 3.113 N/A PHE 166.A N GLU 63.A OE2 no hydrogen 3.385 N/A GLY 167.A N ASP 165.A OD1 no hydrogen 3.336 N/A ALA 169.A N PHE 166.A O no hydrogen 2.963 N/A LYS 170.A N CYS 143.A O no hydrogen 2.960 N/A LYS 170.A NZ ASN 178.A OD1 no hydrogen 2.367 N/A LEU 172.A N GLY 141.A O no hydrogen 3.202 N/A GLU 176.A N VAL 173.A O no hydrogen 3.065 N/A ASN 178.A N THR 197.A O no hydrogen 2.993 N/A CYS 183.A SG ARG 145.A O no hydrogen 3.967 N/A CYS 183.A SG TYR 187.A O no hydrogen 3.440 N/A CYS 183.A SG SER 207.A OG no hydrogen 3.700 N/A SER 184.A OG ASP 146.A OD1 no hydrogen 2.662 N/A TYR 187.A N SER 184.A O no hydrogen 2.931 N/A TYR 187.A OH GLU 214.A OE1 no hydrogen 2.777 N/A TYR 187.A OH GLU 214.A OE2 no hydrogen 3.236 N/A ARG 188.A NE CYS 183.A O no hydrogen 3.399 N/A ARG 188.A NH2 SER 180.A O no hydrogen 2.704 N/A GLU 191.A N GLU 191.A OE1 no hydrogen 2.833 N/A ILE 193.A N ALA 189.A O no hydrogen 3.155 N/A PHE 194.A N PRO 190.A O no hydrogen 2.903 N/A GLY 195.A N LEU 192.A O no hydrogen 2.752 N/A ALA 196.A N GLU 191.A O no hydrogen 3.044 N/A TYR 199.A OH VAL 179.A O no hydrogen 2.702 N/A SER 202.A N THR 200.A OG1 no hydrogen 3.369 N/A SER 202.A OG THR 200.A OG1 no hydrogen 2.483 N/A ILE 203.A N THR 200.A O no hydrogen 3.290 N/A ASP 204.A N SER 201.A O no hydrogen 2.871 N/A TRP 206.A N SER 202.A O no hydrogen 3.137 N/A SER 207.A N ILE 203.A O no hydrogen 3.102 N/A SER 207.A OG TYR 187.A O no hydrogen 2.806 N/A SER 207.A OG ILE 203.A O no hydrogen 3.457 N/A ALA 208.A N ASP 204.A O no hydrogen 3.150 N/A GLY 209.A N VAL 205.A O no hydrogen 2.825 N/A CYS 210.A N TRP 206.A O no hydrogen 2.964 N/A CYS 210.A SG TRP 206.A O no hydrogen 3.518 N/A VAL 211.A N SER 207.A O no hydrogen 2.827 N/A LEU 212.A N ALA 208.A O no hydrogen 2.781 N/A ALA 213.A N GLY 209.A O no hydrogen 3.307 N/A GLU 214.A N CYS 210.A O no hydrogen 2.860 N/A LEU 215.A N VAL 211.A O no hydrogen 3.107 N/A LEU 216.A N LEU 212.A O no hydrogen 3.050 N/A LEU 217.A N ALA 213.A O no hydrogen 2.780 N/A GLY 218.A N GLU 214.A O no hydrogen 2.833 N/A ASP 229.A N SER 226.A OG no hydrogen 2.855 N/A GLN 230.A N SER 226.A O no hydrogen 3.102 N/A GLN 230.A NE2 GLY 224.A O no hydrogen 3.533 N/A LEU 231.A N GLY 227.A O no hydrogen 2.755 N/A VAL 232.A N VAL 228.A O no hydrogen 2.909 N/A GLU 233.A N ASP 229.A O no hydrogen 3.036 N/A ILE 234.A N GLN 230.A O no hydrogen 2.981 N/A ILE 235.A N LEU 231.A O no hydrogen 2.960 N/A LYS 236.A N VAL 232.A O no hydrogen 2.961 N/A VAL 237.A N ILE 234.A O no hydrogen 2.952 N/A LEU 238.A N ILE 234.A O no hydrogen 2.803 N/A GLY 239.A N ILE 235.A O no hydrogen 2.731 N/A THR 240.A N ILE 260.A O no hydrogen 2.967 N/A THR 240.A OG1 PRO 258.A O no hydrogen 2.895 N/A THR 240.A OG1 ILE 260.A O no hydrogen 3.266 N/A THR 242.A N GLN 245.A OE1 no hydrogen 2.905 N/A THR 242.A OG1 GLN 245.A OE1 no hydrogen 3.512 N/A GLN 245.A N THR 242.A OG1 no hydrogen 3.091 N/A ILE 246.A N THR 242.A O no hydrogen 3.075 N/A ARG 247.A N ARG 243.A O no hydrogen 3.104 N/A GLU 248.A N GLU 244.A O no hydrogen 3.234 N/A MET 249.A N GLN 245.A O no hydrogen 3.181 N/A ASN 250.A N ILE 246.A O no hydrogen 2.746 N/A ASN 250.A ND2 PHE 194.A O no hydrogen 2.689 N/A ASN 252.A N ASN 250.A OD1 no hydrogen 2.811 N/A TYR 253.A N ASN 250.A O no hydrogen 3.384 N/A THR 254.A N PRO 251.A O no hydrogen 3.364 N/A ILE 260.A N THR 240.A OG1 no hydrogen 2.783 N/A ILE 260.A N PRO 258.A O no hydrogen 2.974 N/A LYS 267.A N PRO 264.A O no hydrogen 2.806 N/A VAL 268.A N TRP 265.A O no hydrogen 3.096 N/A THR 273.A N ARG 270.A O no hydrogen 3.047 N/A THR 273.A OG1 ARG 270.A O no hydrogen 2.601 N/A ILE 278.A N PRO 274.A O no hydrogen 3.326 N/A ALA 279.A N PRO 275.A O no hydrogen 2.761 N/A LEU 280.A N GLU 276.A O no hydrogen 2.838 N/A CYS 281.A N ALA 277.A O no hydrogen 3.130 N/A CYS 281.A SG ALA 277.A O no hydrogen 3.837 N/A SER 282.A N ILE 278.A O no hydrogen 3.089 N/A SER 282.A OG ILE 278.A O no hydrogen 3.289 N/A SER 282.A OG ALA 279.A O no hydrogen 2.373 N/A ARG 283.A N LEU 280.A O no hydrogen 2.883 N/A ARG 283.A NH1 GLU 286.A OE1 no hydrogen 3.436 N/A ARG 283.A NH1 ALA 291.A O no hydrogen 2.909 N/A LEU 284.A N LEU 280.A O no hydrogen 3.009 N/A LEU 284.A N CYS 281.A O no hydrogen 2.893 N/A LEU 285.A N CYS 281.A O no hydrogen 2.748 N/A GLU 286.A N LEU 284.A O no hydrogen 3.068 N/A TYR 287.A OH GLY 239.A O no hydrogen 2.832 N/A ALA 291.A N THR 288.A O no hydrogen 2.933 N/A ARG 292.A N PRO 289.A O no hydrogen 3.220 N/A ARG 292.A NE GLU 286.A O no hydrogen 2.822 N/A ARG 292.A NH1 GLU 191.A OE1 no hydrogen 3.566 N/A ARG 292.A NH1 GLU 191.A OE2 no hydrogen 2.767 N/A ARG 292.A NH1 SER 202.A O no hydrogen 3.032 N/A ARG 292.A NH2 GLU 191.A OE1 no hydrogen 2.637 N/A ARG 292.A NH2 GLU 191.A OE2 no hydrogen 3.343 N/A ARG 292.A NH2 GLU 286.A O no hydrogen 3.151 N/A ARG 292.A NH2 TYR 287.A O no hydrogen 3.075 N/A LEU 293.A N ARG 283.A O no hydrogen 3.253 N/A THR 294.A N GLU 297.A OE1 no hydrogen 3.285 N/A GLU 297.A N THR 294.A OG1 no hydrogen 3.385 N/A ALA 298.A N THR 294.A O no hydrogen 3.025 N/A CYS 299.A N PRO 295.A O no hydrogen 3.097 N/A CYS 299.A SG PRO 295.A O no hydrogen 3.313 N/A ALA 300.A N LEU 296.A O no hydrogen 3.222 N/A HIS 301.A N ALA 298.A O no hydrogen 2.802 N/A PHE 303.A N HIS 301.A ND1 no hydrogen 3.239 N/A PHE 304.A N HIS 301.A O no hydrogen 2.960 N/A ASP 305.A N SER 302.A O no hydrogen 2.739 N/A LEU 307.A N PHE 304.A O no hydrogen 3.130 N/A ARG 308.A N ASP 305.A O no hydrogen 2.838 N/A ARG 308.A NH1 HIS 301.A O no hydrogen 3.090 N/A ARG 308.A NH1 ASP 305.A OD1 no hydrogen 2.871 N/A ARG 308.A NH2 CYS 299.A O no hydrogen 2.915 N/A ASP 309.A N GLU 306.A O no hydrogen 3.188 N/A ASN 311.A N ASP 309.A OD1 no hydrogen 2.793 N/A VAL 312.A N ASP 309.A O no hydrogen 3.300 N/A LEU 314.A N ARG 318.A O no hydrogen 2.827 N/A ASN 316.A ND2 ASP 157.A O no hydrogen 3.192 N/A GLY 317.A N LEU 314.A O no hydrogen 2.809 N/A ARG 318.A N ASN 316.A OD1 no hydrogen 3.051 N/A THR 320.A OG1 PRO 321.A O no hydrogen 3.364 N/A PHE 326.A N PHE 324.A O no hydrogen 2.659 N/A GLN 329.A NE2 SER 139.A O no hydrogen 3.595 N/A GLN 329.A NE2 SER 139.A OG no hydrogen 3.314 N/A GLU 330.A N THR 327.A OG1 no hydrogen 3.427 N/A LEU 331.A N THR 327.A O no hydrogen 3.253 N/A SER 332.A N GLN 329.A O no hydrogen 2.962 N/A SER 332.A OG GLN 329.A O no hydrogen 2.714 N/A ASN 334.A N LEU 331.A O no hydrogen 3.025 N/A LEU 337.A N ASN 334.A O no hydrogen 3.427 N/A ALA 338.A N PRO 335.A O no hydrogen 3.029 N/A THR 339.A N PRO 336.A O no hydrogen 3.250 N/A THR 339.A OG1 PRO 336.A O no hydrogen 2.753 N/A ILE 340.A N LEU 337.A O no hydrogen 2.556 N/A LEU 341.A N LEU 337.A O no hydrogen 2.674 N/A ILE 342.A N ALA 338.A O no hydrogen 2.812 N/A ALA 346.A N PRO 343.A O no hydrogen 2.860 N/A