Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ule_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A N LEU 9.A O no hydrogen 3.031 N/A THR 11.A N CYS 1.A O no hydrogen 3.347 N/A GLU 12.A N ALA 16.A O no hydrogen 2.853 N/A GLN 18.A N GLU 12.A O no hydrogen 3.418 N/A LEU 21.A N ILE 17.A O no hydrogen 3.198 N/A THR 22.A N GLN 18.A O no hydrogen 3.130 N/A THR 22.A OG1 GLN 18.A O no hydrogen 3.092 N/A LEU 23.A N ALA 19.A O no hydrogen 3.246 N/A TYR 24.A N VAL 20.A O no hydrogen 2.659 N/A ALA 25.A N LEU 21.A O no hydrogen 3.162 N/A GLN 26.A N LEU 23.A O no hydrogen 3.003 N/A GLY 27.A N TYR 24.A O no hydrogen 2.728 N/A LEU 28.A N LEU 23.A O no hydrogen 2.915 N/A GLY 31.A N VAL 46.A O no hydrogen 2.833 N/A VAL 32.A N HIS 177.A O no hydrogen 2.945 N/A VAL 33.A N CYS 44.A O no hydrogen 2.867 N/A VAL 34.A N VAL 179.A O no hydrogen 2.924 N/A ASP 35.A N HIS 42.A O no hydrogen 3.173 N/A SER 36.A N SER 181.A O no hydrogen 2.858 N/A SER 36.A OG THR 41.A OG1 no hydrogen 2.599 N/A THR 41.A N LEU 59.A O no hydrogen 3.226 N/A THR 41.A OG1 SER 36.A OG no hydrogen 2.599 N/A THR 41.A OG1 ILE 61.A O no hydrogen 2.784 N/A HIS 42.A N ASP 35.A O no hydrogen 2.916 N/A ILE 43.A N ARG 57.A O no hydrogen 3.166 N/A CYS 44.A N VAL 33.A O no hydrogen 2.762 N/A VAL 46.A N GLY 31.A O no hydrogen 2.762 N/A TYR 47.A N PHE 50.A O no hydrogen 3.327 N/A GLU 48.A N THR 30.A OG1 no hydrogen 2.645 N/A GLY 49.A N LEU 29.A O no hydrogen 3.068 N/A PHE 50.A N TYR 47.A O no hydrogen 3.231 N/A THR 56.A N HIS 54.A O no hydrogen 2.457 N/A THR 56.A OG1 LEU 52.A O no hydrogen 3.059 N/A THR 56.A OG1 HIS 54.A O no hydrogen 3.564 N/A ARG 57.A N ILE 43.A O no hydrogen 3.314 N/A LEU 59.A N THR 41.A O no hydrogen 2.658 N/A ALA 62.A N ASP 65.A OD2 no hydrogen 3.103 N/A GLY 63.A N GLY 37.A O no hydrogen 2.987 N/A ARG 64.A N ASP 38.A O no hydrogen 2.964 N/A ILE 66.A N ALA 62.A O no hydrogen 2.960 N/A THR 67.A N GLY 63.A O no hydrogen 2.912 N/A THR 67.A OG1 GLY 63.A O no hydrogen 3.408 N/A ARG 68.A N ARG 64.A O no hydrogen 2.920 N/A TYR 69.A N ASP 65.A O no hydrogen 2.811 N/A LEU 70.A N ILE 66.A O no hydrogen 2.907 N/A ILE 71.A N THR 67.A O no hydrogen 3.126 N/A LYS 72.A N ARG 68.A O no hydrogen 3.066 N/A LEU 73.A N TYR 69.A O no hydrogen 2.881 N/A LEU 74.A N LEU 70.A O no hydrogen 2.968 N/A LEU 75.A N ILE 71.A O no hydrogen 3.121 N/A LEU 75.A N LYS 72.A O no hydrogen 2.961 N/A LEU 76.A N LYS 72.A O no hydrogen 3.006 N/A ARG 77.A N LEU 74.A O no hydrogen 3.315 N/A GLY 78.A N LEU 75.A O no hydrogen 2.996 N/A TYR 79.A N LEU 74.A O no hydrogen 3.144 N/A PHE 81.A N TYR 79.A O no hydrogen 3.036 N/A ASN 82.A N ASP 86.A OD2 no hydrogen 2.801 N/A ASP 86.A N ASN 82.A O no hydrogen 2.999 N/A VAL 90.A N ASP 86.A O no hydrogen 2.961 N/A ARG 91.A N PHE 87.A O no hydrogen 3.071 N/A ARG 91.A NE GLU 88.A OE1 no hydrogen 3.105 N/A ARG 91.A NE GLU 88.A OE2 no hydrogen 3.387 N/A ARG 91.A NH1 GLU 95.A OE2 no hydrogen 2.757 N/A ARG 91.A NH2 GLU 88.A OE1 no hydrogen 2.478 N/A MET 92.A N GLU 88.A O no hydrogen 3.242 N/A ILE 93.A N THR 89.A O no hydrogen 3.188 N/A LYS 94.A N VAL 90.A O no hydrogen 2.765 N/A LYS 94.A NZ GLY 63.A O no hydrogen 3.198 N/A LYS 94.A NZ THR 67.A OG1 no hydrogen 2.746 N/A GLU 95.A N ARG 91.A O no hydrogen 2.851 N/A LYS 96.A N MET 92.A O no hydrogen 2.872 N/A LEU 97.A N ILE 93.A O no hydrogen 2.787 N/A CYS 98.A N LYS 94.A O no hydrogen 2.915 N/A CYS 98.A SG GLU 134.A O no hydrogen 3.842 N/A CYS 98.A SG ARG 135.A O no hydrogen 3.283 N/A TYR 99.A N ARG 135.A O no hydrogen 2.881 N/A TYR 99.A OH GLU 107.A OE1 no hydrogen 2.695 N/A VAL 100.A N PRO 188.A O no hydrogen 3.033 N/A GLN 106.A N ASN 103.A OD1 no hydrogen 3.238 N/A GLN 106.A NE2 GLN 106.A O no hydrogen 3.443 N/A GLU 107.A N ASN 103.A O no hydrogen 2.855 N/A GLN 108.A N ILE 104.A O no hydrogen 2.837 N/A LYS 109.A N GLU 105.A O no hydrogen 3.257 N/A LEU 110.A N GLN 106.A O no hydrogen 3.153 N/A ALA 111.A N GLU 107.A O no hydrogen 3.085 N/A LEU 112.A N GLN 108.A O no hydrogen 2.765 N/A GLU 113.A N LYS 109.A O no hydrogen 2.707 N/A THR 114.A N LEU 110.A O no hydrogen 3.038 N/A THR 114.A OG1 LEU 110.A O no hydrogen 2.518 N/A VAL 116.A N THR 114.A OG1 no hydrogen 3.272 N/A VAL 118.A N THR 115.A O no hydrogen 3.244 N/A GLU 119.A N VAL 131.A O no hydrogen 2.764 N/A TYR 121.A N ILE 129.A O no hydrogen 3.161 N/A LEU 123.A N ARG 127.A O no hydrogen 2.782 N/A GLY 126.A N LEU 123.A O no hydrogen 2.897 N/A ARG 127.A N ASP 125.A OD2 no hydrogen 2.714 N/A ARG 127.A NE ASP 125.A OD1 no hydrogen 2.668 N/A ARG 127.A NH2 ASP 125.A OD1 no hydrogen 2.976 N/A ILE 129.A N TYR 121.A O no hydrogen 3.019 N/A LYS 130.A N TYR 79.A OH no hydrogen 2.868 N/A VAL 131.A N GLU 119.A O no hydrogen 2.801 N/A GLY 132.A N GLU 134.A OE1 no hydrogen 3.075 N/A ARG 135.A N GLY 132.A O no hydrogen 2.798 N/A ARG 135.A NE LEU 97.A O no hydrogen 2.779 N/A ARG 135.A NH1 LEU 117.A O no hydrogen 2.963 N/A PHE 136.A N GLY 133.A O no hydrogen 3.154 N/A GLU 137.A N GLY 133.A O no hydrogen 3.094 N/A ALA 138.A N GLU 134.A O no hydrogen 3.370 N/A ALA 141.A N ALA 138.A O no hydrogen 3.111 N/A LEU 142.A N PRO 139.A O no hydrogen 2.762 N/A PHE 143.A N GLU 140.A O no hydrogen 2.882 N/A GLN 144.A N GLU 140.A O no hydrogen 2.893 N/A GLN 144.A N ALA 141.A O no hydrogen 3.037 N/A LEU 147.A N GLN 144.A O no hydrogen 3.010 N/A ILE 148.A N PRO 145.A O no hydrogen 2.827 N/A ASN 149.A N HIS 146.A O no hydrogen 2.652 N/A VAL 150.A N PRO 145.A O no hydrogen 3.215 N/A VAL 155.A N LEU 142.A O no hydrogen 2.946 N/A LEU 158.A N GLY 154.A O no hydrogen 2.820 N/A LEU 159.A N VAL 155.A O no hydrogen 2.814 N/A PHE 160.A N ALA 156.A O no hydrogen 3.049 N/A ASN 161.A N GLU 157.A O no hydrogen 3.144 N/A THR 162.A N LEU 158.A O no hydrogen 3.226 N/A THR 162.A OG1 LEU 158.A O no hydrogen 2.750 N/A ILE 163.A N LEU 159.A O no hydrogen 3.490 N/A GLN 164.A N PHE 160.A O no hydrogen 3.020 N/A ALA 165.A N ASN 161.A O no hydrogen 3.002 N/A ALA 166.A N ILE 163.A O no hydrogen 3.330 N/A THR 170.A N ASP 167.A O no hydrogen 3.458 N/A THR 170.A OG1 ASP 167.A O no hydrogen 2.950 N/A THR 170.A OG1 ASP 167.A OD1 no hydrogen 3.527 N/A ARG 171.A N ASP 167.A O no hydrogen 3.128 N/A ARG 171.A NE GLN 164.A O no hydrogen 3.242 N/A ARG 171.A NE ALA 166.A O no hydrogen 3.039 N/A ARG 171.A NH2 GLN 164.A O no hydrogen 2.663 N/A PHE 174.A N THR 170.A O no hydrogen 2.867 N/A TYR 175.A N ARG 171.A O no hydrogen 2.934 N/A LYS 176.A N SER 172.A O no hydrogen 2.958 N/A HIS 177.A N PHE 174.A O no hydrogen 2.738 N/A VAL 179.A N VAL 32.A O no hydrogen 2.914 N/A LEU 180.A N GLU 222.A O no hydrogen 3.325 N/A SER 181.A N VAL 34.A O no hydrogen 2.844 N/A SER 181.A OG ASP 35.A OD2 no hydrogen 2.559 N/A SER 184.A N SER 36.A O no hydrogen 2.913 N/A SER 184.A OG GLY 37.A O no hydrogen 2.624 N/A THR 185.A N GLY 182.A O no hydrogen 3.082 N/A THR 185.A OG1 GLY 182.A O no hydrogen 2.681 N/A LEU 190.A N TYR 187.A O no hydrogen 3.035 N/A ARG 193.A N GLY 189.A O no hydrogen 2.871 N/A ARG 193.A NE GLU 197.A OE1 no hydrogen 2.958 N/A ARG 193.A NH1 GLY 101.A O no hydrogen 2.989 N/A ARG 193.A NH1 GLU 140.A OE1 no hydrogen 3.147 N/A ARG 193.A NH1 GLU 140.A OE2 no hydrogen 2.815 N/A ARG 193.A NH2 GLU 140.A OE1 no hydrogen 2.652 N/A ARG 193.A NH2 GLU 197.A OE2 no hydrogen 3.476 N/A LEU 194.A N LEU 190.A O no hydrogen 3.005 N/A GLU 195.A N PRO 191.A O no hydrogen 3.096 N/A ARG 196.A N SER 192.A O no hydrogen 3.022 N/A GLU 197.A N ARG 193.A O no hydrogen 2.861 N/A LEU 198.A N LEU 194.A O no hydrogen 2.676 N/A LYS 199.A N GLU 195.A O no hydrogen 2.959 N/A GLN 200.A N ARG 196.A O no hydrogen 3.100 N/A LEU 201.A N GLU 197.A O no hydrogen 3.090 N/A TYR 202.A N LEU 198.A O no hydrogen 2.817 N/A LEU 203.A N LYS 199.A O no hydrogen 2.846 N/A GLU 204.A N GLN 200.A O no hydrogen 3.074 N/A GLU 204.A N LEU 201.A O no hydrogen 3.063 N/A ARG 205.A N LEU 201.A O no hydrogen 2.762 N/A ARG 205.A NE GLU 204.A OE2 no hydrogen 3.217 N/A ARG 205.A NH1 GLU 157.A OE1 no hydrogen 2.721 N/A ARG 205.A NH2 GLU 157.A OE1 no hydrogen 2.798 N/A VAL 206.A N TYR 202.A O no hydrogen 2.845 N/A LEU 207.A N TYR 202.A O no hydrogen 2.919 N/A GLY 209.A N LEU 207.A O no hydrogen 2.413 N/A ASP 210.A N LEU 207.A O no hydrogen 2.810 N/A LYS 213.A N ASP 210.A O no hydrogen 3.094 N/A LEU 214.A N VAL 211.A O no hydrogen 2.937 N/A SER 215.A OG GLU 212.A O no hydrogen 3.367 N/A PHE 217.A N LEU 214.A O no hydrogen 2.674 N/A GLU 222.A N ILE 178.A O no hydrogen 2.883 N/A LEU 231.A N HIS 227.A O no hydrogen 3.314 N/A GLY 232.A N MET 228.A O no hydrogen 2.731 N/A GLY 233.A N VAL 229.A O no hydrogen 3.152 N/A ALA 234.A N PHE 230.A O no hydrogen 3.068 N/A VAL 235.A N LEU 231.A O no hydrogen 3.324 N/A LEU 236.A N GLY 232.A O no hydrogen 3.223 N/A