Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2puf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N ASP 4.A OD2 no hydrogen 3.202 N/A ASP 4.A N THR 1.A O no hydrogen 2.672 N/A VAL 5.A N THR 1.A O no hydrogen 2.952 N/A ALA 6.A N ILE 2.A O no hydrogen 2.826 N/A ARG 8.A N ASP 4.A O no hydrogen 3.128 N/A ALA 9.A N VAL 5.A O no hydrogen 2.667 N/A ASN 10.A N LYS 7.A O no hydrogen 2.681 N/A ASN 10.A ND2 ARG 8.A O no hydrogen 3.324 N/A VAL 11.A N ALA 6.A O no hydrogen 2.944 N/A THR 15.A N SER 12.A O no hydrogen 2.685 N/A THR 15.A N SER 12.A OG no hydrogen 3.169 N/A VAL 16.A N SER 12.A O no hydrogen 3.111 N/A SER 17.A N THR 13.A O no hydrogen 2.721 N/A HIS 18.A N THR 14.A O no hydrogen 3.088 N/A VAL 19.A N THR 15.A O no hydrogen 3.068 N/A ILE 20.A N VAL 16.A O no hydrogen 3.087 N/A ASN 21.A N SER 17.A O no hydrogen 2.839 N/A ASN 21.A ND2 SER 17.A O no hydrogen 2.807 N/A THR 23.A N HIS 18.A O no hydrogen 3.331 N/A THR 30.A OG1 ALA 27.A O no hydrogen 2.779 N/A ARG 31.A N ALA 27.A O no hydrogen 2.791 N/A ARG 31.A NE VAL 26.A O no hydrogen 3.059 N/A ARG 31.A NE ALA 27.A O no hydrogen 3.428 N/A ARG 31.A NH2 VAL 26.A O no hydrogen 2.792 N/A ASN 32.A N GLU 28.A O no hydrogen 2.673 N/A ALA 33.A N GLU 29.A O no hydrogen 2.685 N/A VAL 34.A N THR 30.A O no hydrogen 2.913 N/A TRP 35.A N ARG 31.A O no hydrogen 3.135 N/A ALA 36.A N ASN 32.A O no hydrogen 2.938 N/A ALA 37.A N ALA 33.A O no hydrogen 3.231 N/A ILE 38.A N VAL 34.A O no hydrogen 2.676 N/A LYS 39.A N TRP 35.A O no hydrogen 2.699 N/A GLU 40.A N ALA 36.A O no hydrogen 2.703 N/A LEU 41.A N ALA 37.A O no hydrogen 2.607 N/A HIS 42.A N LYS 39.A O no hydrogen 2.683 N/A TYR 43.A N ILE 38.A O no hydrogen 2.945 N/A ALA 49.A N SER 46.A OG no hydrogen 3.180 N/A ARG 50.A N SER 46.A O no hydrogen 2.977 N/A ARG 50.A NE ASN 21.A OD1 no hydrogen 3.200 N/A SER 51.A N ALA 47.A O no hydrogen 2.685 N/A SER 51.A OG ALA 47.A O no hydrogen 2.674 N/A SER 51.A OG HIS 56.A O no hydrogen 3.564 N/A LEU 52.A N VAL 48.A O no hydrogen 2.888 N/A LYS 53.A N ALA 49.A O no hydrogen 3.246 N/A VAL 54.A N ARG 50.A O no hydrogen 3.006 N/A ASN 55.A N SER 51.A O no hydrogen 3.046 N/A HIS 56.A ND1 VAL 54.A O no hydrogen 3.230 N/A THR 57.A N ASP 115.A OD1 no hydrogen 2.670 N/A THR 57.A OG1 ARG 113.A O no hydrogen 3.215 N/A THR 57.A OG1 ASP 115.A OD1 no hydrogen 3.309 N/A LYS 58.A N ASP 115.A OD2 no hydrogen 2.670 N/A SER 59.A N THR 57.A OG1 no hydrogen 3.251 N/A SER 59.A OG THR 57.A O no hydrogen 3.062 N/A ILE 60.A N THR 89.A O no hydrogen 2.750 N/A GLY 61.A N GLY 116.A O no hydrogen 3.151 N/A LEU 62.A N ILE 91.A O no hydrogen 2.694 N/A LEU 63.A N LEU 118.A O no hydrogen 2.984 N/A ALA 64.A N GLY 93.A O no hydrogen 2.862 N/A THR 65.A OG1 MET 120.A O no hydrogen 3.131 N/A THR 65.A OG1 SER 122.A OG no hydrogen 2.867 N/A SER 67.A OG ASN 94.A OD1 no hydrogen 3.427 N/A TYR 71.A OH GLN 290.A OE1 no hydrogen 2.768 N/A ALA 73.A N ALA 69.A O no hydrogen 2.876 N/A GLU 74.A N ALA 70.A O no hydrogen 3.101 N/A GLU 74.A N TYR 71.A O no hydrogen 3.328 N/A ILE 76.A N PHE 72.A O no hydrogen 2.919 N/A GLU 77.A N ALA 73.A O no hydrogen 2.919 N/A ALA 78.A N GLU 74.A O no hydrogen 2.954 N/A VAL 79.A N ILE 75.A O no hydrogen 2.803 N/A GLU 80.A N ILE 76.A O no hydrogen 3.249 N/A LYS 81.A N ALA 78.A O no hydrogen 3.229 N/A ASN 82.A N ALA 78.A O no hydrogen 3.427 N/A ASN 82.A ND2 ALA 78.A O no hydrogen 3.470 N/A CYS 83.A N VAL 79.A O no hydrogen 2.770 N/A CYS 83.A SG VAL 79.A O no hydrogen 4.013 N/A PHE 84.A N GLU 80.A O no hydrogen 2.889 N/A GLN 85.A N LYS 81.A O no hydrogen 2.704 N/A LYS 86.A N CYS 83.A O no hydrogen 3.185 N/A LYS 86.A NZ GLN 85.A OE1 no hydrogen 3.519 N/A GLY 87.A N PHE 84.A O no hydrogen 3.217 N/A TYR 88.A N CYS 83.A O no hydrogen 2.757 N/A THR 89.A N LYS 58.A O no hydrogen 3.141 N/A ILE 91.A N ILE 60.A O no hydrogen 2.963 N/A GLY 93.A N LEU 62.A O no hydrogen 2.927 N/A ALA 95.A N ALA 64.A O no hydrogen 2.756 N/A TRP 96.A N THR 65.A O no hydrogen 2.970 N/A ASN 98.A N ALA 95.A O no hydrogen 2.698 N/A GLN 102.A N ASN 98.A O no hydrogen 2.654 N/A ARG 103.A N LEU 99.A O no hydrogen 2.714 N/A ALA 104.A N GLU 100.A O no hydrogen 2.987 N/A ALA 104.A N LYS 101.A O no hydrogen 3.259 N/A TYR 105.A N LYS 101.A O no hydrogen 3.051 N/A LEU 106.A N GLN 102.A O no hydrogen 2.698 N/A SER 107.A N ARG 103.A O no hydrogen 3.002 N/A MET 108.A N ALA 104.A O no hydrogen 2.777 N/A MET 109.A N TYR 105.A O no hydrogen 2.857 N/A ALA 110.A N LEU 106.A O no hydrogen 3.183 N/A GLN 111.A N SER 107.A O no hydrogen 3.189 N/A LYS 112.A N MET 108.A O no hydrogen 2.869 N/A ARG 113.A NH1 ALA 110.A O no hydrogen 3.182 N/A VAL 114.A N MET 109.A O no hydrogen 3.296 N/A ASP 115.A N SER 59.A O no hydrogen 2.967 N/A LEU 117.A N PRO 139.A O no hydrogen 2.684 N/A LEU 118.A N GLY 61.A O no hydrogen 2.941 N/A VAL 119.A N VAL 141.A O no hydrogen 3.097 N/A MET 120.A N LEU 63.A O no hydrogen 3.266 N/A CYS 121.A N TYR 124.A OH no hydrogen 2.957 N/A CYS 121.A SG LEU 63.A O no hydrogen 3.716 N/A SER 122.A N ASP 144.A OD2 no hydrogen 2.952 N/A SER 122.A OG THR 65.A OG1 no hydrogen 2.867 N/A TYR 124.A OH ASP 144.A OD1 no hydrogen 2.842 N/A LEU 129.A N PRO 125.A O no hydrogen 2.871 N/A ALA 130.A N GLU 126.A O no hydrogen 2.772 N/A MET 131.A N PRO 127.A O no hydrogen 3.165 N/A LEU 132.A N LEU 128.A O no hydrogen 2.938 N/A GLU 133.A N LEU 129.A O no hydrogen 3.214 N/A GLU 134.A N MET 131.A O no hydrogen 3.069 N/A TYR 135.A N LEU 132.A O no hydrogen 3.072 N/A ARG 136.A N GLU 133.A O no hydrogen 2.737 N/A ARG 136.A NH2 ASP 151.A OD1 no hydrogen 3.399 N/A VAL 141.A N LEU 117.A O no hydrogen 2.866 N/A MET 143.A N VAL 119.A O no hydrogen 2.818 N/A LYS 149.A NZ GLU 147.A OE2 no hydrogen 2.683 N/A ALA 155.A N GLN 315.A O no hydrogen 2.856 N/A ILE 157.A N ILE 317.A O no hydrogen 2.687 N/A ASN 159.A ND2 ILE 157.A O no hydrogen 3.636 N/A ASN 159.A ND2 VAL 319.A O no hydrogen 2.701 N/A ALA 160.A N ASP 158.A OD1 no hydrogen 3.185 N/A GLY 163.A N ASN 159.A O no hydrogen 3.182 N/A GLY 164.A N ALA 160.A O no hydrogen 3.026 N/A TYR 165.A N PHE 161.A O no hydrogen 3.063 N/A TYR 165.A OH GLU 204.A OE1 no hydrogen 2.657 N/A TYR 165.A OH GLU 204.A OE2 no hydrogen 2.893 N/A MET 166.A N GLU 162.A O no hydrogen 2.931 N/A ALA 167.A N GLY 163.A O no hydrogen 3.041 N/A GLY 168.A N GLY 164.A O no hydrogen 3.474 N/A ARG 169.A N TYR 165.A O no hydrogen 3.086 N/A ARG 169.A NE GLU 173.A OE2 no hydrogen 3.089 N/A ARG 169.A NH2 GLU 173.A OE2 no hydrogen 3.346 N/A TYR 170.A N MET 166.A O no hydrogen 3.173 N/A LEU 171.A N ALA 167.A O no hydrogen 3.246 N/A ILE 172.A N GLY 168.A O no hydrogen 2.940 N/A GLU 173.A N ARG 169.A O no hydrogen 2.946 N/A ARG 174.A N TYR 170.A O no hydrogen 2.927 N/A ARG 174.A N LEU 171.A O no hydrogen 3.025 N/A ARG 174.A NH1 ASP 331.A OD1 no hydrogen 2.676 N/A GLY 175.A N LEU 171.A O no hydrogen 3.295 N/A GLY 175.A N ILE 172.A O no hydrogen 2.743 N/A HIS 176.A N LEU 171.A O no hydrogen 3.215 N/A HIS 176.A ND1 THR 239.A OG1 no hydrogen 2.683 N/A HIS 176.A NE2 ALA 330.A O no hydrogen 2.806 N/A GLY 180.A N ALA 240.A O no hydrogen 2.716 N/A VAL 181.A N TRP 213.A O no hydrogen 3.014 N/A ILE 182.A N PHE 242.A O no hydrogen 3.114 N/A GLN 188.A N PRO 185.A O no hydrogen 3.112 N/A ASN 189.A ND2 ASP 158.A OD1 no hydrogen 3.201 N/A ALA 192.A N GLN 188.A O no hydrogen 3.052 N/A ARG 194.A NH1 GLY 244.A O no hydrogen 3.075 N/A ARG 194.A NH1 ASP 273.A OD1 no hydrogen 3.137 N/A ARG 194.A NH2 ASP 273.A OD1 no hydrogen 2.699 N/A LEU 195.A N GLY 191.A O no hydrogen 3.387 N/A ALA 196.A N ALA 192.A O no hydrogen 2.806 N/A GLY 197.A N GLY 193.A O no hydrogen 3.100 N/A GLY 197.A N ARG 194.A O no hydrogen 2.959 N/A PHE 198.A N ARG 194.A O no hydrogen 2.910 N/A MET 199.A N LEU 195.A O no hydrogen 2.837 N/A LYS 200.A N GLY 197.A O no hydrogen 3.099 N/A GLU 203.A N MET 199.A O no hydrogen 3.383 N/A GLU 204.A N LYS 200.A O no hydrogen 2.664 N/A ALA 205.A N MET 202.A O no hydrogen 2.678 N/A MET 206.A N GLU 203.A O no hydrogen 2.688 N/A ILE 207.A N MET 202.A O no hydrogen 2.820 N/A SER 212.A OG GLN 234.A OE1 no hydrogen 2.980 N/A TRP 213.A N PRO 210.A O no hydrogen 2.611 N/A TRP 213.A NE1 HIS 236.A O no hydrogen 3.114 N/A ILE 214.A N GLU 211.A O no hydrogen 3.077 N/A VAL 215.A N VAL 181.A O no hydrogen 3.001 N/A GLN 216.A NE2 GLY 217.A O no hydrogen 2.678 N/A GLY 217.A N PRO 183.A O no hydrogen 2.685 N/A ASP 218.A N SER 223.A OG no hydrogen 3.208 N/A GLU 220.A N ASP 218.A OD1 no hydrogen 2.778 N/A SER 223.A N GLU 220.A O no hydrogen 2.650 N/A SER 223.A OG ASP 218.A OD1 no hydrogen 3.365 N/A SER 223.A OG GLU 220.A O no hydrogen 2.671 N/A GLY 224.A N GLU 220.A O no hydrogen 3.217 N/A TYR 225.A N PRO 221.A O no hydrogen 2.942 N/A TYR 225.A OH GLU 258.A OE1 no hydrogen 2.650 N/A ARG 226.A N GLU 222.A O no hydrogen 3.024 N/A ALA 227.A N SER 223.A O no hydrogen 3.029 N/A MET 228.A N GLY 224.A O no hydrogen 3.026 N/A GLN 229.A N TYR 225.A O no hydrogen 2.916 N/A GLN 230.A N ARG 226.A O no hydrogen 2.835 N/A ILE 231.A N ALA 227.A O no hydrogen 2.693 N/A LEU 232.A N MET 228.A O no hydrogen 3.186 N/A SER 233.A N GLN 229.A O no hydrogen 3.184 N/A SER 233.A N GLN 230.A O no hydrogen 3.351 N/A SER 233.A OG GLN 229.A O no hydrogen 3.362 N/A GLN 234.A NE2 GLN 230.A O no hydrogen 3.589 N/A HIS 236.A NE2 GLU 178.A OE2 no hydrogen 2.636 N/A THR 239.A N GLU 178.A O no hydrogen 2.685 N/A THR 239.A OG1 HIS 176.A ND1 no hydrogen 2.683 N/A VAL 241.A N SER 268.A O no hydrogen 2.788 N/A PHE 242.A N GLY 180.A O no hydrogen 2.888 N/A CYS 243.A N ILE 270.A O no hydrogen 2.778 N/A CYS 243.A SG GLY 245.A O no hydrogen 4.042 N/A GLY 244.A N ILE 182.A O no hydrogen 2.689 N/A ALA 249.A N GLY 245.A O no hydrogen 2.875 N/A MET 250.A N ASP 246.A O no hydrogen 2.689 N/A ALA 252.A N MET 248.A O no hydrogen 2.695 N/A LEU 253.A N ALA 249.A O no hydrogen 2.649 N/A CYS 254.A SG GLU 258.A OE2 no hydrogen 3.387 N/A ALA 255.A N GLY 251.A O no hydrogen 3.495 N/A ALA 256.A N ALA 252.A O no hydrogen 3.241 N/A ASP 257.A N LEU 253.A O no hydrogen 3.255 N/A GLU 258.A N CYS 254.A O no hydrogen 3.065 N/A MET 259.A N ALA 255.A O no hydrogen 2.625 N/A GLY 260.A N ALA 256.A O no hydrogen 3.031 N/A GLY 260.A N ASP 257.A O no hydrogen 2.675 N/A LEU 261.A N ALA 256.A O no hydrogen 2.984 N/A ARG 262.A N ASP 266.A OD2 no hydrogen 2.691 N/A ASP 266.A N ARG 262.A O no hydrogen 2.637 N/A VAL 267.A N ARG 262.A O no hydrogen 2.923 N/A LEU 269.A N SER 328.A O no hydrogen 2.812 N/A ILE 270.A N VAL 241.A O no hydrogen 3.206 N/A GLY 271.A N THR 286.A O no hydrogen 3.318 N/A TYR 272.A N ASP 246.A OD1 no hydrogen 2.737 N/A ASP 273.A N ILE 288.A O no hydrogen 2.692 N/A VAL 275.A N ASP 246.A OD2 no hydrogen 3.071 N/A ARG 276.A N GLU 74.A OE2 no hydrogen 2.874 N/A ALA 278.A N VAL 275.A O no hydrogen 3.009 N/A ARG 279.A NH1 ARG 279.A O no hydrogen 2.697 N/A PHE 281.A N ALA 278.A O no hydrogen 3.008 N/A LEU 285.A N ALA 278.A O no hydrogen 3.240 N/A THR 286.A N SER 328.A OG no hydrogen 2.679 N/A THR 287.A N ILE 324.A O no hydrogen 2.807 N/A THR 287.A OG1 ASP 246.A OD1 no hydrogen 2.938 N/A THR 287.A OG1 ILE 288.A O no hydrogen 3.404 N/A HIS 289.A N ARG 322.A O no hydrogen 2.913 N/A GLN 290.A N ASP 273.A O no hydrogen 3.468 N/A GLN 290.A NE2 ASP 158.A OD2 no hydrogen 3.398 N/A LYS 292.A NZ GLU 74.A OE1 no hydrogen 2.691 N/A LYS 292.A NZ ASN 274.A O no hydrogen 2.695 N/A SER 294.A OG PRO 291.A O no hydrogen 3.492 N/A LEU 295.A N PRO 291.A O no hydrogen 2.874 N/A GLY 296.A N LYS 292.A O no hydrogen 2.831 N/A GLU 297.A N ASP 293.A O no hydrogen 2.678 N/A THR 298.A N SER 294.A O no hydrogen 2.653 N/A THR 298.A OG1 SER 294.A O no hydrogen 3.084 N/A PHE 300.A N GLY 296.A O no hydrogen 3.080 N/A ASN 301.A N GLU 297.A O no hydrogen 2.995 N/A ASN 301.A ND2 GLU 297.A O no hydrogen 2.834 N/A MET 302.A N THR 298.A O no hydrogen 3.011 N/A LEU 303.A N ALA 299.A O no hydrogen 3.105 N/A LEU 304.A N PHE 300.A O no hydrogen 3.023 N/A ASP 305.A N ASN 301.A O no hydrogen 2.901 N/A ARG 306.A N MET 302.A O no hydrogen 2.809 N/A ARG 306.A NE ASP 154.A OD1 no hydrogen 3.137 N/A ARG 306.A NE ASP 154.A OD2 no hydrogen 2.970 N/A ARG 306.A NH2 ASP 154.A OD1 no hydrogen 3.090 N/A ILE 307.A N LEU 303.A O no hydrogen 2.698 N/A VAL 308.A N LEU 304.A O no hydrogen 2.633 N/A ASN 309.A N ASP 305.A O no hydrogen 2.672 N/A LYS 310.A N ILE 307.A O no hydrogen 2.947 N/A ARG 311.A NE ASP 305.A OD2 no hydrogen 2.655 N/A ARG 311.A NH1 ASP 154.A OD1 no hydrogen 3.223 N/A ARG 311.A NH1 ASP 154.A OD2 no hydrogen 3.023 N/A ARG 311.A NH1 GLU 313.A O no hydrogen 2.645 N/A ARG 311.A NH2 ASP 154.A OD2 no hydrogen 2.687 N/A ILE 317.A N ALA 155.A O no hydrogen 2.700 N/A VAL 319.A N ILE 157.A O no hydrogen 2.662 N/A HIS 320.A ND1 GLU 162.A OE1 no hydrogen 2.658 N/A ARG 322.A N HIS 289.A O no hydrogen 3.190 N/A ILE 324.A N THR 287.A O no hydrogen 2.711 N/A ARG 326.A N THR 286.A OG1 no hydrogen 2.731 N/A ARG 326.A NE LEU 285.A O no hydrogen 2.689 N/A ARG 326.A NH2 ASN 274.A OD1 no hydrogen 3.247 N/A ARG 327.A N ALA 284.A O no hydrogen 2.714 N/A SER 328.A OG LEU 269.A O no hydrogen 2.860 N/A ALA 330.A N SER 268.A OG no hydrogen 3.045 N/A GLY 332.A N ARG 174.A O no hydrogen 2.601 N/A ARG 335.A N GLY 332.A O no hydrogen 3.396 N/A TYR 337.A N PHE 334.A O no hydrogen 2.987 N/A