Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3c1a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N GLY 26.A O no hydrogen 2.845 N/A ARG 4.A N GLU 63.A OE2 no hydrogen 2.914 N/A ARG 4.A NE GLU 61.A O no hydrogen 2.765 N/A LEU 5.A N ALA 28.A O no hydrogen 2.833 N/A ALA 6.A N ALA 64.A O no hydrogen 3.016 N/A LEU 7.A N ARG 31.A O no hydrogen 3.227 N/A ILE 8.A N ILE 66.A O no hydrogen 2.859 N/A GLY 9.A N ALA 33.A O no hydrogen 2.846 N/A ALA 10.A N ALA 68.A O no hydrogen 3.220 N/A ARG 12.A NH1 ASP 161.A OD2 no hydrogen 3.564 N/A ARG 12.A NH2 ASP 161.A OD2 no hydrogen 3.070 N/A TYR 17.A N GLY 14.A O.B no hydrogen 2.902 N/A THR 20.A N ASN 16.A O.A no hydrogen 3.190 N/A THR 20.A N ASN 16.A O.B no hydrogen 3.117 N/A THR 20.A OG1 ASN 16.A O.A no hydrogen 2.816 N/A THR 20.A OG1 ASN 16.A O.B no hydrogen 2.754 N/A ILE 21.A N TYR 17.A O no hydrogen 2.847 N/A ALA 22.A N ILE 18.A O no hydrogen 3.061 N/A GLY 23.A N ARG 19.A O no hydrogen 3.150 N/A GLY 23.A N THR 20.A O no hydrogen 3.192 N/A LEU 24.A N ILE 21.A O no hydrogen 3.166 N/A ALA 28.A N VAL 3.A O no hydrogen 2.962 N/A VAL 30.A N LEU 5.A O no hydrogen 2.847 N/A ARG 31.A NE GLU 61.A OE2 no hydrogen 2.816 N/A ARG 31.A NH1 GLU 50.A OE2 no hydrogen 2.771 N/A ARG 31.A NH2 GLU 61.A OE1 no hydrogen 3.020 N/A ARG 31.A NH2 GLU 61.A OE2 no hydrogen 3.498 N/A LEU 32.A N VAL 48.A O no hydrogen 2.865 N/A ALA 33.A N LEU 7.A O no hydrogen 2.914 N/A SER 34.A OG ASN 36.A O no hydrogen 3.512 N/A SER 35.A N GLY 9.A O no hydrogen 3.415 N/A ASN 36.A N SER 34.A OG no hydrogen 3.123 N/A ASN 36.A ND2 GLY 11.A O no hydrogen 3.279 N/A ASP 38.A N ASN 36.A OD1 no hydrogen 2.830 N/A ASN 39.A N ASN 36.A OD1 no hydrogen 3.385 N/A LEU 40.A N ASN 36.A O no hydrogen 3.099 N/A ALA 41.A N PRO 37.A O no hydrogen 3.236 N/A LEU 42.A N ASN 39.A O no hydrogen 2.859 N/A CYS 47.A N PRO 44.A O no hydrogen 3.088 N/A CYS 47.A SG VAL 48.A O no hydrogen 3.987 N/A VAL 48.A N VAL 30.A O no hydrogen 2.977 N/A GLU 50.A N LEU 32.A O no hydrogen 2.866 N/A ARG 54.A N ASP 52.A OD1 no hydrogen 2.982 N/A ARG 54.A NH1 ASP 52.A OD1 no hydrogen 3.303 N/A SER 55.A N ASP 52.A O no hydrogen 3.065 N/A VAL 56.A N TRP 53.A O no hydrogen 2.908 N/A VAL 57.A N TRP 53.A O no hydrogen 3.456 N/A SER 58.A N ARG 54.A O no hydrogen 3.029 N/A SER 58.A OG ARG 54.A O no hydrogen 3.070 N/A ALA 59.A N VAL 56.A O no hydrogen 3.329 N/A GLU 61.A N GLU 61.A OE1 no hydrogen 2.903 N/A GLU 63.A N ARG 4.A O no hydrogen 2.773 N/A VAL 65.A N.A ALA 87.A O no hydrogen 2.695 N/A VAL 65.A N.B ALA 87.A O no hydrogen 2.713 N/A ILE 66.A N ALA 6.A O no hydrogen 2.826 N/A ILE 67.A N LEU 89.A O no hydrogen 2.856 N/A ALA 68.A N ILE 8.A O no hydrogen 2.851 N/A THR 69.A OG1 PRO 70.A O no hydrogen 3.509 N/A THR 69.A OG1 THR 73.A OG1 no hydrogen 2.642 N/A THR 73.A N PRO 70.A O no hydrogen 2.964 N/A THR 73.A OG1 THR 69.A OG1 no hydrogen 2.642 N/A THR 73.A OG1 PRO 70.A O no hydrogen 2.678 N/A HIS 74.A N PRO 71.A O no hydrogen 3.013 N/A HIS 74.A ND1 LEU 94.A O no hydrogen 2.871 N/A HIS 74.A NE2 THR 69.A O no hydrogen 2.870 N/A ILE 77.A N THR 73.A O no hydrogen 3.424 N/A THR 78.A N HIS 74.A O no hydrogen 2.903 N/A THR 78.A OG1 HIS 74.A O no hydrogen 2.726 N/A LEU 79.A N ALA 75.A O no hydrogen 2.935 N/A ALA 80.A N GLU 76.A O no hydrogen 3.201 N/A ALA 81.A N ILE 77.A O no hydrogen 2.884 N/A ILE 82.A N THR 78.A O no hydrogen 2.917 N/A ALA 83.A N LEU 79.A O no hydrogen 2.998 N/A SER 84.A N ALA 80.A O no hydrogen 3.125 N/A SER 84.A OG VAL 57.A O no hydrogen 3.099 N/A SER 84.A OG ALA 80.A O no hydrogen 3.501 N/A GLY 85.A N ILE 82.A O no hydrogen 2.898 N/A LYS 86.A N ALA 81.A O no hydrogen 3.077 N/A LYS 86.A NZ ALA 59.A O no hydrogen 3.099 N/A LYS 86.A NZ VAL 62.A O no hydrogen 3.472 N/A LEU 89.A N VAL 65.A O.A no hydrogen 2.994 N/A LEU 89.A N VAL 65.A O.B no hydrogen 3.012 N/A VAL 90.A N TRP 115.A O no hydrogen 3.029 N/A GLU 91.A N ILE 67.A O no hydrogen 2.967 N/A THR 95.A OG1 ASP 97.A O no hydrogen 2.578 N/A ASP 97.A N THR 95.A OG1 no hydrogen 3.095 N/A GLU 100.A N ASP 97.A OD2 no hydrogen 2.981 N/A ALA 101.A N ASP 97.A O no hydrogen 3.141 N/A GLU 102.A N LEU 98.A O no hydrogen 2.768 N/A ALA 103.A N ALA 99.A O no hydrogen 2.983 N/A VAL 104.A N GLU 100.A O no hydrogen 2.980 N/A ALA 105.A N ALA 101.A O no hydrogen 2.998 N/A ALA 106.A N GLU 102.A O no hydrogen 3.037 N/A ALA 107.A N ALA 103.A O no hydrogen 3.104 N/A ALA 108.A N VAL 104.A O no hydrogen 3.011 N/A LYS 109.A N ALA 105.A O no hydrogen 3.008 N/A ALA 110.A N ALA 106.A O no hydrogen 2.873 N/A THR 111.A N ALA 107.A O no hydrogen 2.910 N/A THR 111.A OG1 ALA 107.A O no hydrogen 2.569 N/A THR 111.A OG1 ALA 108.A O no hydrogen 3.552 N/A VAL 113.A N THR 111.A OG1 no hydrogen 3.378 N/A TRP 115.A N VAL 88.A O no hydrogen 2.854 N/A TRP 115.A NE1 GLU 280.A O no hydrogen 3.047 N/A VAL 116.A N SER 284.A O no hydrogen 2.928 N/A GLU 117.A N VAL 90.A O no hydrogen 2.843 N/A HIS 118.A N VAL 116.A O no hydrogen 2.991 N/A HIS 118.A ND1 SER 284.A OG no hydrogen 2.866 N/A THR 119.A OG1 GLU 117.A OE1 no hydrogen 3.309 N/A THR 119.A OG1 GLU 117.A OE2 no hydrogen 2.831 N/A LEU 121.A N HIS 118.A O no hydrogen 2.982 N/A PHE 122.A N THR 119.A O no hydrogen 3.043 N/A ASN 123.A N GLN 120.A O no hydrogen 3.080 N/A ASN 123.A ND2 GLN 120.A OE1 no hydrogen 2.576 N/A ALA 125.A N ASN 123.A OD1 no hydrogen 2.987 N/A TRP 126.A N ASN 123.A O no hydrogen 3.028 N/A TRP 126.A NE1 ASP 171.A OD2 no hydrogen 2.831 N/A GLU 127.A N.A ASN 123.A O no hydrogen 3.184 N/A GLU 127.A N.B ASN 123.A O no hydrogen 3.211 N/A ALA 128.A N PRO 124.A O no hydrogen 2.919 N/A LEU 129.A N ALA 125.A O no hydrogen 2.873 N/A LYS 130.A N TRP 126.A O no hydrogen 2.881 N/A LYS 130.A NZ ASP 171.A OD1 no hydrogen 3.569 N/A LYS 130.A NZ ASP 171.A OD2 no hydrogen 2.561 N/A ALA 131.A N GLU 127.A O.A no hydrogen 2.964 N/A ALA 131.A N GLU 127.A O.B no hydrogen 2.894 N/A ASP 132.A N ALA 128.A O no hydrogen 3.227 N/A ASP 132.A N LEU 129.A O no hydrogen 3.120 N/A LEU 133.A N LYS 130.A O no hydrogen 3.347 N/A SER 135.A N.A ASP 132.A O no hydrogen 3.255 N/A SER 135.A N.B ASP 132.A O no hydrogen 3.239 N/A SER 135.A OG.A ASP 132.A O no hydrogen 3.342 N/A SER 135.A OG.B ASP 132.A O no hydrogen 2.762 N/A ILE 136.A N LEU 133.A O no hydrogen 3.191 N/A GLY 137.A N THR 134.A O no hydrogen 3.095 N/A LEU 140.A N PHE 224.A O no hydrogen 2.740 N/A ALA 141.A N PHE 224.A O no hydrogen 3.369 N/A VAL 142.A N GLU 207.A O no hydrogen 3.158 N/A ARG 143.A N ALA 222.A O no hydrogen 3.142 N/A ARG 143.A NH1 GLY 248.A O no hydrogen 2.864 N/A SER 144.A N.A HIS 209.A O no hydrogen 2.907 N/A SER 144.A N.B HIS 209.A O no hydrogen 2.902 N/A SER 144.A OG.B ARG 220.A O no hydrogen 3.076 N/A GLU 145.A N ARG 220.A O no hydrogen 2.877 N/A ALA 146.A N ARG 211.A O no hydrogen 2.978 N/A GLY 147.A N CYS 218.A O no hydrogen 2.692 N/A ASN 148.A N CYS 213.A O no hydrogen 3.273 N/A HIS 149.A N ASN 148.A OD1 no hydrogen 2.861 N/A HIS 149.A NE2 ASP 216.A OD1 no hydrogen 3.084 N/A GLY 150.A N ASN 214.A O no hydrogen 2.708 N/A TYR 152.A OH ASN 214.A O no hydrogen 2.589 N/A GLY 156.A N ARG 153.A O no hydrogen 3.028 N/A TRP 160.A N PRO 158.A O no hydrogen 2.892 N/A TRP 160.A NE1 SER 300.A OG no hydrogen 3.106 N/A ASP 161.A N PRO 158.A O no hydrogen 2.978 N/A ALA 164.A N TRP 160.A O no hydrogen 2.990 N/A HIS 165.A N TRP 162.A O no hydrogen 3.087 N/A VAL 167.A N GLY 163.A O no hydrogen 2.688 N/A SER 168.A N ALA 164.A O no hydrogen 3.195 N/A SER 168.A OG ALA 164.A O no hydrogen 3.053 N/A SER 168.A OG HIS 165.A O no hydrogen 2.644 N/A LEU 170.A N VAL 167.A O no hydrogen 2.938 N/A ASP 171.A N SER 168.A O no hydrogen 2.934 N/A ARG 174.A NE ASP 175.A O no hydrogen 3.135 N/A ARG 174.A NH1 SER 204.A OG no hydrogen 3.213 N/A ARG 174.A NH2 ASP 175.A O no hydrogen 3.051 N/A ARG 174.A NH2 ASP 177.A OD1 no hydrogen 2.860 N/A ARG 174.A NH2 ASP 177.A OD2 no hydrogen 3.096 N/A ASP 177.A N ALA 202.A O no hydrogen 2.683 N/A SER 180.A N THR 200.A O no hydrogen 2.985 N/A SER 182.A N THR 198.A O no hydrogen 2.850 N/A ALA 184.A N ASP 196.A O no hydrogen 2.956 N/A ARG 186.A NE GLU 193.A OE2 no hydrogen 3.225 N/A GLY 187.A N ALA 194.A O no hydrogen 2.783 N/A LYS 189.A N GLY 192.A O no hydrogen 2.637 N/A GLY 192.A N LYS 189.A O no hydrogen 2.995 N/A ALA 194.A N GLY 187.A O no hydrogen 2.972 N/A GLY 195.A N ASN 214.A OD1 no hydrogen 2.720 N/A ASP 196.A N ALA 185.A O no hydrogen 2.888 N/A VAL 197.A N LEU 212.A O no hydrogen 2.758 N/A THR 198.A N SER 182.A O no hydrogen 2.838 N/A LEU 199.A N ILE 210.A O no hydrogen 2.810 N/A THR 200.A N SER 180.A O no hydrogen 2.835 N/A LEU 201.A N ALA 208.A O no hydrogen 2.944 N/A ALA 202.A N SER 178.A O no hydrogen 2.776 N/A PHE 203.A N VAL 206.A O no hydrogen 2.722 N/A SER 204.A N ASP 177.A OD2 no hydrogen 2.403 N/A VAL 206.A N PHE 203.A O no hydrogen 2.960 N/A ALA 208.A N LEU 201.A O no hydrogen 2.897 N/A HIS 209.A N VAL 142.A O no hydrogen 2.948 N/A HIS 209.A NE2 GLU 207.A OE1 no hydrogen 2.862 N/A ILE 210.A N LEU 199.A O no hydrogen 2.793 N/A ARG 211.A N SER 144.A O.A no hydrogen 2.855 N/A ARG 211.A N SER 144.A O.B no hydrogen 2.825 N/A ARG 211.A NE ASP 196.A OD1 no hydrogen 2.831 N/A ARG 211.A NH1 GLU 145.A OE2 no hydrogen 2.931 N/A ARG 211.A NH2 ASP 196.A OD2 no hydrogen 2.689 N/A LEU 212.A N VAL 197.A O no hydrogen 2.867 N/A CYS 213.A N ALA 146.A O no hydrogen 3.290 N/A CYS 213.A SG GLY 195.A O no hydrogen 3.532 N/A CYS 213.A SG THR 215.A OG1 no hydrogen 3.242 N/A ASN 214.A N GLY 195.A O no hydrogen 3.033 N/A ASN 214.A ND2 GLU 193.A O no hydrogen 2.800 N/A CYS 218.A N GLY 147.A O no hydrogen 3.068 N/A CYS 218.A SG GLU 145.A OE1 no hydrogen 3.877 N/A CYS 218.A SG ASP 216.A O no hydrogen 3.558 N/A ARG 220.A N GLU 145.A O no hydrogen 2.791 N/A ARG 220.A NE GLU 145.A OE1 no hydrogen 2.937 N/A ARG 220.A NH2 GLU 145.A OE1 no hydrogen 3.109 N/A ALA 222.A N ARG 143.A O no hydrogen 2.840 N/A VAL 223.A N LEU 230.A O no hydrogen 2.523 N/A PHE 224.A N ALA 141.A O no hydrogen 2.811 N/A GLY 225.A N GLY 228.A O no hydrogen 2.863 N/A GLU 226.A N PRO 138.A O no hydrogen 2.982 N/A ALA 227.A N ILE 136.A O no hydrogen 2.874 N/A THR 229.A N HIS 242.A O no hydrogen 2.975 N/A THR 229.A OG1 PRO 243.A O no hydrogen 2.962 N/A LEU 230.A N VAL 223.A O no hydrogen 2.858 N/A VAL 231.A N THR 240.A O no hydrogen 3.118 N/A ASP 233.A N ARG 219.A O no hydrogen 2.997 N/A ARG 234.A N ASP 232.A OD1 no hydrogen 2.913 N/A ALA 235.A N ASP 232.A O no hydrogen 3.192 N/A THR 240.A N VAL 231.A O no hydrogen 3.118 N/A THR 240.A OG1 VAL 231.A O no hydrogen 3.559 N/A THR 240.A OG1 HIS 242.A NE2 no hydrogen 2.740 N/A LEU 241.A N HIS 256.A O no hydrogen 2.650 N/A HIS 242.A N THR 229.A O no hydrogen 2.932 N/A HIS 242.A NE2 THR 240.A OG1 no hydrogen 2.740 N/A ASN 249.A N ASP 247.A OD1 no hydrogen 2.696 N/A HIS 256.A N LEU 241.A O no hydrogen 2.699 N/A LEU 258.A N LEU 239.A O no hydrogen 2.842 N/A ARG 267.A NE GLU 127.A OE2.A no hydrogen 2.747 N/A ARG 267.A NH1 GLU 263.A OE1 no hydrogen 3.416 N/A ALA 268.A N PRO 264.A O no hydrogen 2.864 N/A VAL 269.A N LEU 265.A O no hydrogen 3.121 N/A ARG 270.A N THR 266.A O no hydrogen 2.816 N/A ARG 270.A NE GLU 263.A OE2 no hydrogen 2.783 N/A ARG 270.A NH2 GLU 263.A OE1 no hydrogen 2.977 N/A ARG 270.A NH2 GLU 263.A OE2 no hydrogen 3.457 N/A LEU 271.A N ARG 267.A O no hydrogen 2.909 N/A PHE 272.A N ALA 268.A O no hydrogen 2.934 N/A ALA 273.A N VAL 269.A O no hydrogen 2.911 N/A GLY 274.A N ARG 270.A O no hydrogen 2.993 N/A ALA 275.A N PHE 272.A O no hydrogen 2.929 N/A VAL 276.A N ALA 273.A O no hydrogen 3.314 N/A ARG 277.A NE GLU 63.A OE1 no hydrogen 2.838 N/A ARG 277.A NH1 SER 1.A O no hydrogen 2.848 N/A ARG 277.A NH2 SER 1.A O no hydrogen 3.501 N/A ARG 277.A NH2 GLU 63.A OE1 no hydrogen 3.325 N/A ARG 277.A NH2 GLU 63.A OE2 no hydrogen 2.674 N/A GLN 278.A N ALA 275.A O no hydrogen 3.097 N/A SER 284.A OG VAL 116.A O no hydrogen 2.612 N/A LEU 286.A N VAL 114.A O no hydrogen 3.179 N/A GLY 289.A N PRO 285.A O no hydrogen 3.181 N/A LEU 290.A N LEU 286.A O no hydrogen 2.880 N/A ARG 291.A N GLU 287.A O no hydrogen 3.029 N/A ARG 291.A NE ASP 175.A OD1 no hydrogen 2.844 N/A ARG 291.A NH2 ASP 175.A OD1 no hydrogen 3.130 N/A VAL 292.A N LEU 288.A O no hydrogen 2.926 N/A VAL 293.A N GLY 289.A O no hydrogen 3.016 N/A ARG 294.A N LEU 290.A O no hydrogen 2.954 N/A VAL 295.A N ARG 291.A O no hydrogen 3.169 N/A LEU 296.A N VAL 292.A O no hydrogen 2.973 N/A GLY 297.A N VAL 293.A O no hydrogen 3.058 N/A ALA 298.A N ARG 294.A O no hydrogen 3.124 N/A CYS 299.A N VAL 295.A O no hydrogen 3.193 N/A CYS 299.A N LEU 296.A O no hydrogen 3.089 N/A CYS 299.A SG VAL 295.A O no hydrogen 3.434 N/A SER 300.A N GLY 297.A O no hydrogen 3.351 N/A SER 300.A OG LEU 296.A O no hydrogen 2.801 N/A