Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3thb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N TYR 12.A O no hydrogen 2.796 N/A ASP 5.A N ARG 10.A O no hydrogen 2.716 N/A ARG 9.A N PRO 6.A O no hydrogen 3.201 N/A TYR 12.A N LEU 3.A O no hydrogen 2.637 N/A VAL 13.A N SER 30.A O no hydrogen 2.980 N/A ARG 14.A N GLU 1.A O no hydrogen 2.848 N/A GLY 15.A N GLU 28.A O no hydrogen 2.791 N/A LEU 18.A N CYS 26.A O no hydrogen 2.881 N/A GLY 19.A N CYS 26.A O no hydrogen 3.478 N/A GLY 21.A N ALA 24.A O no hydrogen 3.156 N/A ALA 24.A N GLY 21.A O no hydrogen 3.165 N/A LYS 25.A N ILE 42.A O no hydrogen 3.198 N/A CYS 26.A N GLY 19.A O no hydrogen 2.836 N/A PHE 27.A N GLY 40.A O no hydrogen 2.949 N/A GLU 28.A N ARG 16.A O no hydrogen 2.970 N/A ILE 29.A N PHE 38.A O no hydrogen 2.659 N/A SER 30.A N VAL 13.A O no hydrogen 3.366 N/A ASP 31.A N GLU 36.A O no hydrogen 3.063 N/A ALA 32.A N ARG 11.A O no hydrogen 2.735 N/A ASP 33.A N ASP 31.A OD1 no hydrogen 2.576 N/A THR 34.A N ASP 31.A OD1 no hydrogen 2.813 N/A LYS 35.A N ASP 31.A O no hydrogen 2.932 N/A PHE 38.A N ILE 29.A O no hydrogen 2.595 N/A ALA 39.A N LEU 89.A O no hydrogen 2.720 N/A GLY 40.A N PHE 27.A O no hydrogen 2.711 N/A LYS 41.A N VAL 87.A O no hydrogen 3.054 N/A LYS 41.A NZ GLU 60.A OE2 no hydrogen 3.549 N/A LYS 41.A NZ ASP 153.A OD1 no hydrogen 3.018 N/A ILE 42.A N LYS 25.A O no hydrogen 2.795 N/A VAL 43.A N VAL 85.A O no hydrogen 2.864 N/A LYS 45.A N ASP 83.A O no hydrogen 2.730 N/A LYS 45.A NZ GLU 80.A OE1 no hydrogen 3.334 N/A LYS 45.A NZ ASP 81.A O no hydrogen 2.410 N/A LEU 47.A N PRO 44.A O no hydrogen 3.006 N/A LEU 48.A N LYS 45.A O no hydrogen 2.764 N/A ARG 54.A N LYS 50.A O no hydrogen 2.975 N/A ARG 54.A NH1 LEU 48.A O no hydrogen 2.783 N/A GLU 55.A N PRO 51.A O no hydrogen 2.808 N/A LYS 56.A N HIS 52.A O no hydrogen 3.380 N/A MET 57.A N GLN 53.A O no hydrogen 3.422 N/A SER 58.A N ARG 54.A O no hydrogen 3.046 N/A MET 59.A N GLU 55.A O no hydrogen 2.677 N/A GLU 60.A N LYS 56.A O no hydrogen 2.742 N/A ILE 61.A N MET 57.A O no hydrogen 3.298 N/A SER 62.A N SER 58.A O no hydrogen 3.141 N/A ILE 63.A N MET 59.A O no hydrogen 2.970 N/A HIS 64.A N GLU 60.A O no hydrogen 2.872 N/A HIS 64.A NE2 VAL 73.A O no hydrogen 3.008 N/A ARG 65.A N ILE 61.A O no hydrogen 2.929 N/A SER 66.A N ILE 63.A O no hydrogen 2.953 N/A SER 66.A OG ILE 63.A O no hydrogen 2.646 N/A LEU 67.A N HIS 64.A O no hydrogen 3.126 N/A ALA 68.A N TYR 125.A OH no hydrogen 2.838 N/A HIS 71.A N HIS 69.A ND1 no hydrogen 3.029 N/A HIS 71.A ND1 VAL 149.A O no hydrogen 3.041 N/A VAL 72.A N HIS 69.A O no hydrogen 3.286 N/A VAL 73.A N ILE 151.A O no hydrogen 2.768 N/A GLY 74.A N GLU 90.A OE1 no hydrogen 2.810 N/A HIS 76.A N VAL 88.A O no hydrogen 2.854 N/A PHE 79.A N PHE 86.A O no hydrogen 2.907 N/A ASP 81.A N PHE 84.A O no hydrogen 3.270 N/A ASP 83.A N ASP 81.A OD1 no hydrogen 2.912 N/A PHE 84.A N ASP 81.A OD1 no hydrogen 2.667 N/A VAL 85.A N VAL 43.A O no hydrogen 2.661 N/A PHE 86.A N PHE 79.A O no hydrogen 2.919 N/A VAL 87.A N LYS 41.A O no hydrogen 3.031 N/A VAL 88.A N GLY 77.A O no hydrogen 2.700 N/A LEU 89.A N ALA 39.A O no hydrogen 2.668 N/A GLU 90.A N GLY 74.A O no hydrogen 2.816 N/A ARG 94.A N LEU 143.A O no hydrogen 2.807 N/A ARG 94.A NE GLU 145.A OE2 no hydrogen 2.749 N/A ARG 94.A NH2 GLU 145.A OE2 no hydrogen 3.140 N/A ARG 95.A N CYS 92.A O no hydrogen 3.089 N/A SER 96.A N GLU 99.A OE1 no hydrogen 2.874 N/A SER 96.A OG GLU 99.A OE1 no hydrogen 2.767 N/A SER 96.A OG LEU 138.A O no hydrogen 3.395 N/A LEU 97.A N LEU 141.A O no hydrogen 2.805 N/A LEU 98.A N SER 96.A OG no hydrogen 2.681 N/A GLU 99.A N SER 96.A O no hydrogen 2.999 N/A LEU 100.A N SER 96.A O no hydrogen 3.382 N/A HIS 101.A N LEU 97.A O no hydrogen 2.844 N/A LYS 102.A N LEU 98.A O no hydrogen 3.123 N/A ARG 103.A N GLU 99.A O no hydrogen 3.208 N/A ARG 103.A N LEU 100.A O no hydrogen 3.235 N/A ARG 103.A NH1 ARG 103.A O no hydrogen 3.103 N/A ARG 104.A N LEU 100.A O no hydrogen 3.000 N/A ARG 104.A NH1 GLU 111.A OE2 no hydrogen 2.750 N/A ARG 104.A NH2 GLU 111.A OE1 no hydrogen 2.600 N/A ARG 104.A NH2 GLU 111.A OE2 no hydrogen 2.975 N/A LYS 105.A N HIS 101.A O no hydrogen 2.882 N/A LYS 105.A NZ HIS 101.A NE2 no hydrogen 3.496 N/A LEU 107.A N LEU 203.A O no hydrogen 2.829 N/A THR 108.A N GLU 111.A OE1 no hydrogen 2.951 N/A THR 108.A OG1 GLU 111.A OE1 no hydrogen 2.496 N/A GLU 111.A N THR 108.A OG1 no hydrogen 3.347 N/A ALA 112.A N THR 108.A O no hydrogen 2.998 N/A ARG 113.A N GLU 109.A O no hydrogen 2.814 N/A ARG 113.A NE PHE 263.A O no hydrogen 2.828 N/A ARG 113.A NH1 TYR 268.A O no hydrogen 3.145 N/A TYR 114.A N PRO 110.A O no hydrogen 3.058 N/A TYR 114.A OH LEU 147.A O no hydrogen 2.989 N/A TYR 115.A N GLU 111.A O no hydrogen 3.041 N/A LEU 116.A N ALA 112.A O no hydrogen 2.769 N/A ARG 117.A N ARG 113.A O no hydrogen 2.799 N/A GLN 118.A N TYR 114.A O no hydrogen 3.291 N/A ILE 119.A N TYR 115.A O no hydrogen 2.971 N/A VAL 120.A N LEU 116.A O no hydrogen 2.925 N/A LEU 121.A N ARG 117.A O no hydrogen 2.915 N/A GLY 122.A N GLN 118.A O no hydrogen 2.839 N/A CYS 123.A N ILE 119.A O no hydrogen 3.001 N/A CYS 123.A SG HIS 127.A NE2 no hydrogen 3.654 N/A GLN 124.A N VAL 120.A O no hydrogen 2.888 N/A GLN 124.A NE2 ILE 255.A O no hydrogen 3.156 N/A TYR 125.A N GLY 122.A O no hydrogen 3.235 N/A LEU 126.A N GLY 122.A O no hydrogen 3.209 N/A HIS 127.A N CYS 123.A O no hydrogen 2.884 N/A HIS 127.A NE2 ASP 192.A OD2 no hydrogen 2.960 N/A ARG 128.A N GLN 124.A O no hydrogen 3.087 N/A ASN 129.A N TYR 125.A O no hydrogen 3.071 N/A ASN 129.A N LEU 126.A O no hydrogen 2.753 N/A ASN 129.A ND2 TYR 125.A O no hydrogen 3.406 N/A ARG 130.A N HIS 127.A O no hydrogen 2.927 N/A VAL 131.A N LEU 126.A O no hydrogen 3.065 N/A ILE 132.A N THR 158.A O no hydrogen 2.983 N/A HIS 133.A N ASP 192.A OD2 no hydrogen 2.886 N/A HIS 133.A NE2 GLY 152.A O no hydrogen 2.739 N/A ARG 134.A N ASP 192.A OD1 no hydrogen 2.863 N/A ARG 134.A NH1 LEU 156.A O no hydrogen 2.951 N/A ASP 135.A N HIS 133.A ND1 no hydrogen 3.132 N/A ASN 140.A N LYS 137.A O no hydrogen 2.915 N/A LEU 141.A N LEU 138.A O no hydrogen 3.433 N/A PHE 142.A N LYS 150.A O no hydrogen 2.754 N/A LEU 143.A N ARG 95.A O no hydrogen 2.645 N/A ASN 144.A N GLU 148.A O no hydrogen 3.057 N/A LEU 147.A N ASN 144.A O no hydrogen 2.958 N/A GLU 148.A N ASN 144.A OD1 no hydrogen 2.526 N/A VAL 149.A N GLN 118.A OE1 no hydrogen 2.630 N/A LYS 150.A N PHE 142.A O no hydrogen 2.738 N/A LYS 150.A NZ GLN 70.A O no hydrogen 2.265 N/A ILE 151.A N HIS 71.A O no hydrogen 2.725 N/A GLY 152.A N ASN 140.A O no hydrogen 2.990 N/A ALA 157.A N PHE 154.A O no hydrogen 2.886 N/A THR 158.A N ILE 132.A O no hydrogen 3.079 N/A LYS 159.A NZ ASN 129.A O no hydrogen 3.490 N/A VAL 160.A N ARG 130.A O no hydrogen 2.554 N/A GLU 161.A N GLU 165.A OE1 no hydrogen 2.963 N/A GLU 165.A N TYR 162.A O no hydrogen 3.196 N/A ARG 166.A NH2 GLU 190.A OE1 no hydrogen 3.348 N/A LYS 167.A N HIS 187.A O no hydrogen 2.892 N/A LYS 167.A NZ THR 158.A OG1 no hydrogen 3.197 N/A LYS 167.A NZ LYS 159.A O no hydrogen 2.835 N/A LYS 167.A NZ GLU 165.A OE2 no hydrogen 3.221 N/A CYS 171.A SG HIS 52.A NE2 no hydrogen 3.530 N/A ASN 175.A N ASP 135.A OD1 no hydrogen 2.989 N/A TYR 176.A OH THR 202.A OG1 no hydrogen 3.364 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.894 N/A VAL 181.A N ALA 178.A O no hydrogen 2.881 N/A LEU 182.A N ALA 178.A O no hydrogen 3.304 N/A SER 183.A N PRO 179.A O no hydrogen 2.954 N/A SER 183.A OG PRO 179.A O no hydrogen 2.819 N/A LYS 184.A N VAL 181.A O no hydrogen 3.103 N/A LYS 185.A N GLU 180.A O no hydrogen 3.091 N/A HIS 187.A N LYS 167.A O no hydrogen 2.962 N/A SER 188.A OG GLU 165.A O no hydrogen 3.458 N/A VAL 191.A N SER 188.A O no hydrogen 3.344 N/A ASP 192.A N PHE 189.A O no hydrogen 2.831 N/A TRP 194.A N GLU 190.A O no hydrogen 2.973 N/A SER 195.A N VAL 191.A O no hydrogen 3.095 N/A SER 195.A OG TYR 176.A O no hydrogen 3.391 N/A SER 195.A OG VAL 191.A O no hydrogen 2.807 N/A ILE 196.A N ASP 192.A O no hydrogen 2.914 N/A GLY 197.A N VAL 193.A O no hydrogen 3.051 N/A CYS 198.A N TRP 194.A O no hydrogen 3.310 N/A CYS 198.A SG TRP 194.A O no hydrogen 3.690 N/A ILE 199.A N SER 195.A O no hydrogen 2.810 N/A MET 200.A N ILE 196.A O no hydrogen 2.621 N/A TYR 201.A N GLY 197.A O no hydrogen 2.926 N/A TYR 201.A OH SER 228.A O no hydrogen 2.810 N/A THR 202.A N CYS 198.A O no hydrogen 2.879 N/A THR 202.A OG1 TYR 176.A OH no hydrogen 3.364 N/A THR 202.A OG1 CYS 198.A O no hydrogen 2.559 N/A LEU 203.A N ILE 199.A O no hydrogen 2.828 N/A LEU 204.A N MET 200.A O no hydrogen 2.836 N/A VAL 205.A N TYR 201.A O no hydrogen 2.708 N/A GLY 206.A N THR 202.A O no hydrogen 2.969 N/A LYS 207.A NZ TYR 201.A OH no hydrogen 2.972 N/A THR 212.A N THR 218.A OG1 no hydrogen 3.223 N/A THR 212.A OG1 CYS 214.A O no hydrogen 2.603 N/A THR 212.A OG1 THR 218.A OG1 no hydrogen 2.773 N/A THR 218.A N CYS 214.A O no hydrogen 2.765 N/A THR 218.A OG1 PHE 210.A O no hydrogen 3.047 N/A THR 218.A OG1 THR 212.A OG1 no hydrogen 2.773 N/A THR 218.A OG1 CYS 214.A O no hydrogen 3.402 N/A TYR 219.A N LEU 215.A O no hydrogen 2.793 N/A LEU 220.A N LYS 216.A O no hydrogen 3.045 N/A ARG 221.A N GLU 217.A O no hydrogen 3.011 N/A ARG 221.A NH1 GLU 211.A O no hydrogen 3.238 N/A ILE 222.A N THR 218.A O no hydrogen 2.907 N/A LYS 223.A N TYR 219.A O no hydrogen 3.132 N/A LYS 224.A N LEU 220.A O no hydrogen 3.049 N/A GLU 226.A N ARG 221.A O no hydrogen 3.106 N/A ILE 233.A N PRO 230.A O no hydrogen 3.229 N/A ASN 234.A ND2 GLU 109.A OE2 no hydrogen 3.056 N/A ALA 238.A N ASN 234.A O no hydrogen 2.830 N/A SER 239.A N PRO 235.A O no hydrogen 2.941 N/A SER 239.A OG PRO 235.A O no hydrogen 3.403 N/A LEU 240.A N ALA 237.A O no hydrogen 2.606 N/A ILE 241.A N ALA 237.A O no hydrogen 3.076 N/A GLN 242.A N ALA 238.A O no hydrogen 2.786 N/A GLN 242.A NE2 ALA 238.A O no hydrogen 3.344 N/A LYS 243.A N SER 239.A O no hydrogen 2.855 N/A LYS 243.A NZ ASP 261.A OD1 no hydrogen 2.671 N/A MET 244.A N LEU 240.A O no hydrogen 2.843 N/A LEU 245.A N ILE 241.A O no hydrogen 2.694 N/A GLN 246.A NE2 LYS 243.A O no hydrogen 2.552 N/A THR 250.A N ASP 248.A OD1 no hydrogen 3.241 N/A THR 250.A OG1 ASP 248.A OD1 no hydrogen 2.733 N/A THR 250.A OG1 ASP 248.A OD2 no hydrogen 3.020 N/A ALA 251.A N ASP 248.A O no hydrogen 3.156 N/A ARG 252.A NE GLU 190.A O no hydrogen 3.262 N/A ARG 252.A NH1 GLU 180.A OE1 no hydrogen 3.394 N/A ARG 252.A NH1 GLN 246.A O no hydrogen 2.739 N/A ARG 252.A NH2 GLU 180.A OE1 no hydrogen 3.184 N/A ARG 252.A NH2 GLU 180.A OE2 no hydrogen 2.915 N/A ARG 252.A NH2 GLU 190.A O no hydrogen 2.687 N/A THR 254.A N GLU 257.A OE2 no hydrogen 2.982 N/A THR 254.A OG1 GLU 257.A OE2 no hydrogen 3.308 N/A GLU 257.A N THR 254.A O no hydrogen 3.275 N/A ASN 260.A N GLU 257.A O no hydrogen 2.928 N/A PHE 263.A N ASP 261.A OD2 no hydrogen 3.404 N/A PHE 264.A N ASP 261.A O no hydrogen 2.683 N/A THR 265.A N ASP 261.A O no hydrogen 3.120 N/A THR 265.A OG1 ASP 261.A O no hydrogen 3.469 N/A SER 266.A N GLU 262.A O no hydrogen 2.672 N/A CYS 277.A N PRO 274.A O no hydrogen 2.980 N/A CYS 277.A SG PRO 274.A O no hydrogen 3.182 N/A LEU 278.A N ILE 275.A O no hydrogen 2.572 N/A THR 279.A N THR 276.A O no hydrogen 2.903 N/A THR 279.A OG1 THR 276.A O no hydrogen 3.395 N/A ILE 280.A N THR 276.A O no hydrogen 2.970 N/A