Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a62_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 6.A N ARG 3.A O no hydrogen 2.768 N/A CYS 6.A SG LYS 1.A O no hydrogen 3.874 N/A CYS 6.A SG THR 28.A OG1 no hydrogen 3.426 N/A PHE 7.A N PRO 4.A O no hydrogen 3.411 N/A GLU 8.A N ARG 25.A O no hydrogen 2.915 N/A LEU 10.A N GLN 23.A O no hydrogen 2.741 N/A ARG 11.A N GLN 23.A O no hydrogen 3.418 N/A ARG 11.A NE GLN 23.A OE1 no hydrogen 2.679 N/A ARG 11.A NH2 GLN 23.A OE1 no hydrogen 3.421 N/A ARG 11.A NH2 TYR 76.A OH no hydrogen 3.032 N/A LEU 13.A N VAL 21.A O no hydrogen 2.699 N/A GLY 14.A N VAL 21.A O no hydrogen 3.282 N/A GLY 16.A N GLY 19.A O no hydrogen 3.204 N/A TYR 18.A OH HIS 143.A NE2 no hydrogen 3.188 N/A GLY 19.A N GLY 16.A O no hydrogen 2.989 N/A LYS 20.A N VAL 40.A O no hydrogen 2.950 N/A VAL 21.A N GLY 14.A O no hydrogen 2.781 N/A PHE 22.A N MET 38.A O no hydrogen 2.708 N/A GLN 23.A N ARG 11.A O no hydrogen 2.911 N/A VAL 24.A N PHE 36.A O no hydrogen 2.882 N/A ARG 25.A N GLU 8.A O no hydrogen 2.925 N/A ARG 25.A NH1 GLU 8.A OE2 no hydrogen 2.672 N/A LYS 26.A N LYS 34.A O no hydrogen 3.016 N/A LYS 26.A NZ THR 28.A O no hydrogen 2.745 N/A VAL 27.A N CYS 6.A O no hydrogen 2.859 N/A THR 32.A N GLY 29.A O no hydrogen 3.043 N/A THR 32.A OG1 VAL 27.A O no hydrogen 3.470 N/A THR 32.A OG1 GLY 29.A O no hydrogen 2.481 N/A GLY 33.A N LYS 26.A O no hydrogen 2.592 N/A LYS 34.A N ASN 31.A O no hydrogen 2.911 N/A PHE 36.A N VAL 24.A O no hydrogen 2.967 N/A ALA 37.A N LEU 74.A O no hydrogen 2.741 N/A MET 38.A N PHE 22.A O no hydrogen 2.704 N/A LYS 39.A N LEU 72.A O no hydrogen 2.882 N/A LYS 39.A NZ GLU 45.A OE1 no hydrogen 2.912 N/A VAL 40.A N LYS 20.A O no hydrogen 2.669 N/A LEU 41.A N LEU 70.A O no hydrogen 2.937 N/A ARG 46.A NH1 GLU 50.A OE2 no hydrogen 2.990 N/A ARG 46.A NH2 GLU 50.A OE2 no hydrogen 3.325 N/A ILE 48.A N ALA 44.A O no hydrogen 3.320 N/A LEU 49.A N GLU 45.A O no hydrogen 3.030 N/A GLU 50.A N ARG 46.A O no hydrogen 2.839 N/A GLU 51.A N ASN 47.A O no hydrogen 3.076 N/A GLU 51.A N ILE 48.A O no hydrogen 3.050 N/A VAL 52.A N ILE 48.A O no hydrogen 3.138 N/A ILE 57.A N HIS 54.A O no hydrogen 3.246 N/A VAL 58.A N LEU 136.A O no hydrogen 3.009 N/A ASP 59.A N GLU 75.A OE1 no hydrogen 2.555 N/A ILE 61.A N ILE 73.A O no hydrogen 2.697 N/A TYR 62.A N ILE 73.A O no hydrogen 3.359 N/A PHE 64.A N TYR 71.A O no hydrogen 3.012 N/A GLN 65.A NE2 GLY 68.A O no hydrogen 3.529 N/A THR 66.A N LYS 69.A O no hydrogen 3.296 N/A THR 66.A OG1 GLN 65.A O no hydrogen 2.569 N/A LEU 70.A N LEU 41.A O no hydrogen 2.766 N/A TYR 71.A N PHE 64.A O no hydrogen 2.765 N/A LEU 72.A N LYS 39.A O no hydrogen 3.006 N/A ILE 73.A N TYR 62.A O no hydrogen 2.726 N/A LEU 74.A N ALA 37.A O no hydrogen 2.712 N/A GLU 75.A N ASP 59.A O no hydrogen 3.100 N/A GLY 80.A N LEU 77.A O no hydrogen 3.359 N/A LEU 82.A N ILE 126.A O no hydrogen 2.717 N/A PHE 83.A N PRO 123.A O no hydrogen 2.951 N/A MET 84.A N GLU 81.A O no hydrogen 2.965 N/A GLN 85.A N LEU 82.A O no hydrogen 2.924 N/A LEU 86.A N LEU 82.A O no hydrogen 3.285 N/A GLU 87.A N PHE 83.A O no hydrogen 2.971 N/A ARG 88.A N MET 84.A O no hydrogen 3.181 N/A ARG 88.A NH2 GLN 85.A OE1 no hydrogen 2.766 N/A GLU 89.A N GLN 85.A O no hydrogen 2.857 N/A GLY 90.A N LEU 86.A O no hydrogen 2.811 N/A ILE 91.A N GLU 89.A O no hydrogen 2.756 N/A PHE 92.A N MET 177.A O no hydrogen 2.858 N/A ALA 97.A N MET 93.A O no hydrogen 3.040 N/A CYS 98.A N GLU 94.A O no hydrogen 2.813 N/A CYS 98.A SG PHE 242.A O no hydrogen 3.674 N/A PHE 99.A N ASP 95.A O no hydrogen 3.109 N/A TYR 100.A N THR 96.A O no hydrogen 3.341 N/A LEU 101.A N ALA 97.A O no hydrogen 2.868 N/A ALA 102.A N CYS 98.A O no hydrogen 2.760 N/A GLU 103.A N PHE 99.A O no hydrogen 3.047 N/A ILE 104.A N TYR 100.A O no hydrogen 2.829 N/A SER 105.A N LEU 101.A O no hydrogen 2.896 N/A SER 105.A OG ALA 102.A O no hydrogen 2.731 N/A SER 105.A OG GLN 238.A OE1 no hydrogen 3.007 N/A MET 106.A N ALA 102.A O no hydrogen 3.274 N/A ALA 107.A N GLU 103.A O no hydrogen 3.143 N/A LEU 108.A N ILE 104.A O no hydrogen 2.853 N/A GLY 109.A N SER 105.A O no hydrogen 2.800 N/A HIS 110.A N MET 106.A O no hydrogen 3.049 N/A LEU 111.A N ALA 107.A O no hydrogen 3.063 N/A HIS 112.A N LEU 108.A O no hydrogen 2.989 N/A HIS 112.A ND1 ASP 233.A OD1 no hydrogen 3.014 N/A HIS 112.A ND1 ASP 233.A OD2 no hydrogen 3.176 N/A HIS 112.A NE2 ASP 166.A OD1 no hydrogen 2.674 N/A GLN 113.A N GLY 109.A O no hydrogen 2.868 N/A LYS 114.A N HIS 110.A O no hydrogen 3.200 N/A LYS 114.A NZ GLU 51.A OE1 no hydrogen 3.303 N/A GLY 115.A N HIS 112.A O no hydrogen 2.974 N/A ILE 116.A N LEU 111.A O no hydrogen 2.590 N/A TYR 118.A N ASP 166.A OD1 no hydrogen 2.918 N/A TYR 118.A OH ASP 138.A O no hydrogen 3.419 N/A ARG 119.A N ASP 166.A OD2 no hydrogen 2.706 N/A ASP 120.A N TYR 118.A O no hydrogen 2.745 N/A LEU 121.A N SER 169.A OG no hydrogen 2.804 N/A LYS 122.A N ASP 120.A OD1 no hydrogen 3.252 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 3.063 N/A ASN 125.A N LYS 122.A O no hydrogen 2.859 N/A ASN 125.A ND2 ASP 120.A O no hydrogen 3.483 N/A ILE 126.A N PRO 123.A O no hydrogen 3.360 N/A MET 127.A N LYS 135.A O no hydrogen 2.943 N/A LEU 128.A N GLY 80.A O no hydrogen 2.792 N/A ASN 129.A N HIS 133.A O no hydrogen 2.913 N/A ASN 129.A ND2 GLN 131.A OE1 no hydrogen 3.009 N/A GLY 132.A N ASN 129.A O no hydrogen 2.969 N/A GLY 132.A N ASN 129.A OD1 no hydrogen 2.776 N/A HIS 133.A N ASN 129.A OD1 no hydrogen 2.764 N/A HIS 133.A ND1 GLU 103.A OE2 no hydrogen 2.662 N/A VAL 134.A N GLU 103.A OE1 no hydrogen 2.696 N/A LYS 135.A N MET 127.A O no hydrogen 2.777 N/A LYS 135.A NZ PRO 55.A O no hydrogen 3.408 N/A LYS 135.A NZ ILE 57.A O no hydrogen 3.372 N/A LYS 135.A NZ GLU 75.A OE1 no hydrogen 2.951 N/A LEU 136.A N PHE 56.A O no hydrogen 2.990 N/A GLY 140.A N ASP 138.A OD1 no hydrogen 2.811 N/A CYS 142.A SG HIS 143.A ND1 no hydrogen 3.177 N/A CYS 145.A N HIS 143.A O no hydrogen 3.235 N/A CYS 145.A SG HIS 143.A ND1 no hydrogen 3.420 N/A THR 147.A OG1 GLU 149.A OE2 no hydrogen 2.936 N/A GLU 149.A N THR 147.A OG1 no hydrogen 3.340 N/A TYR 150.A OH ASP 176.A OD1 no hydrogen 2.438 N/A MET 151.A N ILE 148.A O no hydrogen 3.129 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.801 N/A ILE 155.A N ALA 152.A O no hydrogen 2.998 N/A LEU 156.A N ALA 152.A O no hydrogen 3.211 N/A MET 157.A N PRO 153.A O no hydrogen 2.916 N/A SER 159.A N GLU 154.A O no hydrogen 3.460 N/A SER 159.A OG MET 157.A O no hydrogen 3.020 N/A ARG 163.A NH1 GLY 230.A O no hydrogen 3.001 N/A ARG 163.A NH1 ASP 233.A OD1 no hydrogen 2.891 N/A ARG 163.A NH2 GLY 230.A O no hydrogen 2.994 N/A ALA 164.A N ASN 162.A OD1 no hydrogen 2.881 N/A VAL 165.A N ASN 162.A O no hydrogen 3.044 N/A ASP 166.A N ARG 163.A O no hydrogen 2.894 N/A TRP 167.A N ALA 164.A O no hydrogen 2.961 N/A TRP 167.A NE1 ASP 233.A OD1 no hydrogen 3.302 N/A TRP 168.A N ALA 164.A O no hydrogen 3.221 N/A SER 169.A N VAL 165.A O no hydrogen 3.056 N/A SER 169.A OG TYR 150.A O no hydrogen 2.670 N/A LEU 170.A N ASP 166.A O no hydrogen 2.990 N/A GLY 171.A N TRP 167.A O no hydrogen 3.060 N/A ALA 172.A N TRP 168.A O no hydrogen 2.818 N/A LEU 173.A N SER 169.A O no hydrogen 2.851 N/A MET 174.A N LEU 170.A O no hydrogen 2.873 N/A TYR 175.A N GLY 171.A O no hydrogen 2.772 N/A TYR 175.A OH ASN 202.A O no hydrogen 2.893 N/A ASP 176.A N ALA 172.A O no hydrogen 2.889 N/A MET 177.A N LEU 173.A O no hydrogen 2.813 N/A LEU 178.A N MET 174.A O no hydrogen 3.041 N/A LEU 178.A N TYR 175.A O no hydrogen 3.249 N/A THR 179.A N TYR 175.A O no hydrogen 2.929 N/A THR 179.A OG1 TYR 175.A O no hydrogen 2.632 N/A GLY 180.A N ASP 176.A O no hydrogen 2.896 N/A ALA 181.A N THR 179.A OG1 no hydrogen 3.224 N/A GLY 186.A N THR 192.A OG1 no hydrogen 2.744 N/A ARG 189.A NH1 GLY 146.A O no hydrogen 3.482 N/A ARG 189.A NH2 GLY 146.A O no hydrogen 3.293 N/A LYS 191.A N ASN 188.A OD1 no hydrogen 3.092 N/A THR 192.A N ASN 188.A O no hydrogen 3.044 N/A THR 192.A OG1 ASN 188.A O no hydrogen 3.037 N/A ILE 193.A N ARG 189.A O no hydrogen 3.043 N/A ASP 194.A N LYS 190.A O no hydrogen 3.101 N/A LYS 195.A N LYS 191.A O no hydrogen 3.177 N/A ILE 196.A N THR 192.A O no hydrogen 3.129 N/A ILE 196.A N ILE 193.A O no hydrogen 2.950 N/A LEU 197.A N ILE 193.A O no hydrogen 3.090 N/A LYS 198.A N ASP 194.A O no hydrogen 2.993 N/A CYS 199.A N LYS 195.A O no hydrogen 3.027 N/A CYS 199.A SG LEU 219.A O no hydrogen 3.526 N/A THR 208.A N GLU 94.A OE2 no hydrogen 2.934 N/A THR 208.A OG1 GLU 94.A OE1 no hydrogen 2.860 N/A THR 208.A OG1 GLU 94.A OE2 no hydrogen 3.352 N/A THR 208.A OG1 GLU 210.A OE1 no hydrogen 3.191 N/A GLU 210.A N GLU 210.A OE1 no hydrogen 2.790 N/A ALA 211.A N THR 208.A OG1 no hydrogen 2.988 N/A ARG 212.A N THR 208.A O no hydrogen 2.920 N/A ASP 213.A N GLN 209.A O no hydrogen 2.974 N/A LEU 214.A N GLU 210.A O no hydrogen 3.072 N/A LEU 215.A N ALA 211.A O no hydrogen 3.192 N/A LYS 216.A N ARG 212.A O no hydrogen 3.032 N/A LYS 217.A N ASP 213.A O no hydrogen 3.067 N/A LYS 217.A NZ ASP 213.A OD2 no hydrogen 2.924 N/A LEU 218.A N LEU 214.A O no hydrogen 2.950 N/A LEU 218.A N LEU 215.A O no hydrogen 3.248 N/A LEU 219.A N LEU 215.A O no hydrogen 2.919 N/A LYS 220.A N LEU 218.A O no hydrogen 2.989 N/A LYS 220.A NZ SER 225.A O no hydrogen 2.721 N/A LYS 220.A NZ SER 225.A OG no hydrogen 3.048 N/A SER 225.A N ASN 222.A O no hydrogen 3.274 N/A SER 225.A OG ASN 222.A O no hydrogen 3.070 N/A ARG 226.A N ALA 223.A O no hydrogen 2.984 N/A ARG 226.A NE LYS 220.A O no hydrogen 2.827 N/A ARG 226.A NH1 GLU 154.A OE2 no hydrogen 2.642 N/A ARG 226.A NH1 ALA 164.A O no hydrogen 3.285 N/A ARG 226.A NH2 GLU 154.A OE1 no hydrogen 2.751 N/A ARG 226.A NH2 GLU 154.A OE2 no hydrogen 3.237 N/A ARG 226.A NH2 LYS 220.A O no hydrogen 3.043 N/A ARG 226.A NH2 ARG 221.A O no hydrogen 3.401 N/A LEU 227.A N LYS 217.A O no hydrogen 3.179 N/A GLY 228.A N GLU 236.A OE1 no hydrogen 3.273 N/A ALA 229.A N ARG 226.A O no hydrogen 3.001 N/A ASP 233.A N GLY 230.A O no hydrogen 2.980 N/A GLY 235.A N GLY 232.A O no hydrogen 2.895 N/A GLN 238.A N ALA 234.A O no hydrogen 2.727 N/A ALA 239.A N GLY 235.A O no hydrogen 2.770 N/A HIS 240.A N VAL 237.A O no hydrogen 3.174 N/A HIS 240.A NE2 ASP 213.A OD2 no hydrogen 2.568 N/A PHE 242.A N HIS 240.A ND1 no hydrogen 2.971 N/A PHE 243.A N HIS 240.A O no hydrogen 2.774 N/A ARG 244.A NE PRO 241.A O no hydrogen 2.774 N/A GLU 250.A N ASN 247.A OD1 no hydrogen 3.252 N/A LEU 251.A N ASN 247.A O no hydrogen 3.075 N/A LEU 252.A N TRP 248.A O no hydrogen 2.857 N/A ALA 253.A N GLU 249.A O no hydrogen 3.320 N/A ARG 254.A N LEU 251.A O no hydrogen 2.820 N/A LYS 255.A N GLU 250.A O no hydrogen 2.843 N/A LYS 261.A NZ GLN 131.A O no hydrogen 2.686 N/A LYS 261.A NZ GLU 257.A OE2 no hydrogen 3.276 N/A