Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3quk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N LEU 103.A O no hydrogen 2.973 N/A HIS 3.A ND1 ASP 29.A OD1 no hydrogen 3.150 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.782 N/A SER 4.A N ASP 29.A OD1 no hydrogen 3.054 N/A MET 5.A N CYS 101.A O no hydrogen 2.898 N/A ARG 6.A N TYR 27.A O no hydrogen 2.995 N/A ARG 6.A NH1 MET 5.A O no hydrogen 3.239 N/A ARG 6.A NH1 ASP 102.A OD1 no hydrogen 2.906 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 3.043 N/A ARG 6.A NH2 ASP 102.A OD2 no hydrogen 3.565 N/A TYR 7.A N SER 99.A O no hydrogen 2.776 N/A PHE 8.A N VAL 25.A O no hydrogen 2.905 N/A GLU 9.A N GLN 97.A O no hydrogen 2.921 N/A THR 10.A N ILE 23.A O no hydrogen 2.827 N/A ALA 11.A N LEU 95.A O no hydrogen 2.889 N/A VAL 12.A N ARG 21.A O no hydrogen 3.048 N/A SER 13.A N HIS 93.A O no hydrogen 2.860 N/A SER 13.A OG HIS 93.A O no hydrogen 3.301 N/A ARG 21.A N VAL 12.A O no hydrogen 3.217 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.139 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 3.514 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.600 N/A TYR 22.A N SER 38.A OG no hydrogen 3.015 N/A TYR 22.A OH GLU 9.A OE1 no hydrogen 2.572 N/A ILE 23.A N THR 10.A O no hydrogen 2.850 N/A SER 24.A N PHE 36.A O no hydrogen 2.892 N/A SER 24.A OG TYR 45.A OH no hydrogen 2.625 N/A VAL 25.A N PHE 8.A O no hydrogen 2.920 N/A GLY 26.A N VAL 34.A O no hydrogen 2.920 N/A TYR 27.A N ARG 6.A O no hydrogen 2.694 N/A VAL 28.A N LYS 31.A O no hydrogen 2.991 N/A ASP 29.A N SER 4.A O no hydrogen 2.983 N/A LYS 31.A N VAL 28.A O no hydrogen 3.015 N/A PHE 33.A N GLY 26.A O no hydrogen 2.863 N/A ARG 35.A N GLU 46.A O no hydrogen 3.238 N/A ARG 35.A NH1 GLU 32.A OE2 no hydrogen 2.904 N/A PHE 36.A N SER 24.A O no hydrogen 2.834 N/A SER 38.A N TYR 22.A O no hydrogen 3.034 N/A SER 38.A OG TYR 22.A O no hydrogen 3.379 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.830 N/A ALA 40.A N ASP 37.A O no hydrogen 3.180 N/A GLU 41.A N GLU 41.A OE1 no hydrogen 2.603 N/A ARG 44.A NE GLU 46.A OE2 no hydrogen 2.944 N/A TYR 45.A N THR 64.A OG1 no hydrogen 3.174 N/A TYR 45.A OH SER 24.A OG no hydrogen 2.625 N/A GLU 46.A N ARG 35.A O no hydrogen 2.929 N/A ARG 48.A N PHE 33.A O no hydrogen 2.700 N/A MET 52.A N ALA 49.A O no hydrogen 2.805 N/A GLU 55.A N MET 52.A O no hydrogen 2.950 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.491 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 3.197 N/A GLU 61.A N PRO 57.A O no hydrogen 3.206 N/A ARG 62.A N GLU 58.A O no hydrogen 2.992 N/A ARG 62.A NH1 GLU 58.A OE2 no hydrogen 3.127 N/A GLU 63.A N TYR 59.A O no hydrogen 2.880 N/A THR 64.A N TRP 60.A O no hydrogen 3.060 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.628 N/A GLN 65.A N GLU 61.A O no hydrogen 2.969 N/A LYS 66.A N ARG 62.A O no hydrogen 2.960 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 2.974 N/A ALA 67.A N GLU 63.A O no hydrogen 2.996 N/A LYS 68.A N THR 64.A O no hydrogen 3.111 N/A GLY 69.A N GLN 65.A O no hydrogen 3.129 N/A GLN 70.A N LYS 66.A O no hydrogen 2.909 N/A GLN 70.A NE2 GLU 9.A OE1 no hydrogen 2.850 N/A GLN 70.A NE2 GLU 9.A OE2 no hydrogen 3.390 N/A GLU 71.A N ALA 67.A O no hydrogen 2.879 N/A GLN 72.A N LYS 68.A O no hydrogen 3.250 N/A TRP 73.A N GLY 69.A O no hydrogen 2.933 N/A PHE 74.A N GLN 70.A O no hydrogen 2.698 N/A ARG 75.A N GLU 71.A O no hydrogen 2.997 N/A VAL 76.A N GLN 72.A O no hydrogen 2.822 N/A SER 77.A N TRP 73.A O no hydrogen 2.846 N/A SER 77.A OG TRP 73.A O no hydrogen 2.992 N/A LEU 78.A N PHE 74.A O no hydrogen 2.968 N/A ARG 79.A N ARG 75.A O no hydrogen 3.219 N/A ASN 80.A N VAL 76.A O no hydrogen 3.001 N/A LEU 81.A N SER 77.A O no hydrogen 2.994 N/A LEU 82.A N LEU 78.A O no hydrogen 3.380 N/A GLY 83.A N ARG 79.A O no hydrogen 3.415 N/A TYR 84.A N ASN 80.A O no hydrogen 2.869 N/A TYR 85.A N LEU 81.A O no hydrogen 2.944 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.898 N/A ASN 86.A N GLY 83.A O no hydrogen 3.167 N/A GLN 87.A N LEU 82.A O no hydrogen 2.944 N/A GLN 87.A NE2 GLU 119.A OE2 no hydrogen 2.917 N/A HIS 93.A N SER 13.A O no hydrogen 3.176 N/A HIS 93.A ND1 GLU 119.A OE2 no hydrogen 2.797 N/A THR 94.A N.A GLU 119.A OE1 no hydrogen 3.086 N/A THR 94.A N.B GLU 119.A OE1 no hydrogen 3.097 N/A LEU 95.A N ALA 11.A O no hydrogen 2.905 N/A GLN 96.A N ALA 117.A O no hydrogen 2.772 N/A GLN 97.A N GLU 9.A O no hydrogen 2.973 N/A MET 98.A N GLN 115.A O no hydrogen 2.891 N/A SER 99.A N TYR 7.A O no hydrogen 3.054 N/A GLY 100.A N TYR 113.A O no hydrogen 3.086 N/A CYS 101.A N MET 5.A O no hydrogen 2.983 N/A ASP 102.A N ARG 111.A O no hydrogen 2.753 N/A LEU 103.A N HIS 3.A O no hydrogen 2.793 N/A GLY 104.A N ARG 108.A O no hydrogen 3.002 N/A TRP 107.A N GLY 104.A O no hydrogen 2.899 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 2.847 N/A LEU 110.A N ASP 102.A O no hydrogen 2.586 N/A ARG 111.A N ASP 102.A O no hydrogen 3.342 N/A TYR 113.A N GLY 100.A O no hydrogen 2.846 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 2.767 N/A GLN 115.A N MET 98.A O no hydrogen 2.933 N/A PHE 116.A N ILE 124.A O no hydrogen 2.863 N/A ALA 117.A N GLN 96.A O no hydrogen 2.872 N/A TYR 118.A N ARG 121.A O no hydrogen 2.861 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.629 N/A GLU 119.A N THR 94.A O.A no hydrogen 2.914 N/A GLU 119.A N THR 94.A O.B no hydrogen 2.982 N/A ARG 121.A N TYR 118.A O no hydrogen 3.129 N/A TYR 123.A N PHE 116.A O no hydrogen 2.944 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.886 N/A ALA 125.A N THR 134.A O no hydrogen 2.982 N/A LEU 126.A N LEU 114.A O no hydrogen 2.726 N/A ASN 127.A N THR 132.A O no hydrogen 2.834 N/A ASN 127.A ND2 THR 132.A OG1 no hydrogen 2.996 N/A LEU 130.A N ASN 127.A O no hydrogen 2.751 N/A LYS 131.A N ASP 129.A OD1 no hydrogen 2.780 N/A THR 132.A N ASP 129.A OD1 no hydrogen 2.976 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 3.350 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.807 N/A THR 134.A N ALA 125.A O no hydrogen 2.952 N/A GLN 141.A N MET 138.A O no hydrogen 3.041 N/A GLN 141.A NE2 ALA 135.A O no hydrogen 2.602 N/A GLN 141.A NE2 ALA 136.A O no hydrogen 3.571 N/A GLN 141.A NE2 ASP 137.A O no hydrogen 2.794 N/A ILE 142.A N ALA 139.A O no hydrogen 3.428 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.886 N/A ARG 144.A N ALA 140.A O no hydrogen 2.940 N/A ARG 145.A N GLN 141.A O no hydrogen 2.943 N/A LYS 146.A N ILE 142.A O no hydrogen 3.088 N/A TRP 147.A N THR 143.A O no hydrogen 2.780 N/A GLU 148.A N ARG 144.A O no hydrogen 2.867 N/A GLN 149.A N ARG 145.A O no hydrogen 3.027 N/A SER 150.A OG LYS 146.A O no hydrogen 3.422 N/A SER 150.A OG TRP 147.A O no hydrogen 3.316 N/A GLY 151.A N GLU 148.A O no hydrogen 3.317 N/A ALA 152.A N TRP 147.A O no hydrogen 3.309 N/A GLU 154.A N GLY 151.A O no hydrogen 3.239 N/A TYR 156.A N ALA 152.A O no hydrogen 2.886 N/A LYS 157.A N ALA 153.A O no hydrogen 2.802 N/A LYS 157.A NZ GLU 161.A OE1 no hydrogen 3.043 N/A ALA 158.A N GLU 154.A O no hydrogen 2.934 N/A TYR 159.A N HIS 155.A O no hydrogen 3.157 N/A LEU 160.A N TYR 156.A O no hydrogen 2.898 N/A GLU 161.A N LYS 157.A O no hydrogen 2.936 N/A GLY 162.A N ALA 158.A O no hydrogen 2.855 N/A CYS 164.A N TYR 159.A O no hydrogen 2.986 N/A GLU 166.A N GLY 162.A O no hydrogen 2.806 N/A TRP 167.A N GLU 163.A O no hydrogen 2.897 N/A LEU 168.A N CYS 164.A O no hydrogen 3.136 N/A HIS 169.A N VAL 165.A O no hydrogen 2.979 N/A HIS 169.A NE2 TRP 107.A O no hydrogen 2.883 N/A ARG 170.A N GLU 166.A O no hydrogen 3.275 N/A ARG 170.A NE GLU 55.A OE2 no hydrogen 3.168 N/A ARG 170.A NH2 GLU 55.A OE1 no hydrogen 3.440 N/A ARG 170.A NH2 GLU 55.A OE2 no hydrogen 3.466 N/A TYR 171.A N TRP 167.A O no hydrogen 2.753 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.491 N/A LEU 172.A N LEU 168.A O no hydrogen 2.857 N/A LYS 173.A N HIS 169.A O no hydrogen 3.272 N/A ASN 174.A N ARG 170.A O no hydrogen 3.194 N/A LYS 182.A N LEU 199.A O no hydrogen 2.990 N/A HIS 184.A N TRP 197.A O no hydrogen 3.283 N/A THR 186.A N ARG 195.A O no hydrogen 2.803 N/A THR 186.A OG1 ARG 195.A O no hydrogen 3.369 N/A HIS 188.A N THR 193.A O no hydrogen 2.979 N/A ARG 190.A N HIS 188.A O no hydrogen 2.790 N/A VAL 192.A N VAL 236.A O no hydrogen 2.754 N/A THR 193.A N HIS 188.A O no hydrogen 2.653 N/A LEU 194.A N VAL 234.A O no hydrogen 3.035 N/A ARG 195.A N THR 186.A O no hydrogen 2.957 N/A CYS 196.A N ALA 232.A O no hydrogen 2.798 N/A TRP 197.A N HIS 184.A O no hydrogen 2.746 N/A TRP 197.A NE1 THR 186.A OG1 no hydrogen 3.182 N/A ALA 198.A N LYS 230.A O no hydrogen 2.744 N/A LEU 199.A N LYS 182.A O no hydrogen 3.167 N/A TYR 202.A N ASP 179.A O no hydrogen 2.943 N/A THR 207.A N TYR 249.A O no hydrogen 3.086 N/A THR 209.A N ARG 247.A O no hydrogen 2.928 N/A TRP 210.A NE1 ALA 232.A O no hydrogen 2.907 N/A GLN 211.A N THR 245.A O no hydrogen 2.817 N/A GLN 211.A NE2 THR 245.A OG1 no hydrogen 3.017 N/A GLU 216.A N.A SER 233.A O no hydrogen 2.859 N/A GLU 216.A N.B SER 233.A O no hydrogen 2.868 N/A ARG 221.A N GLN 229.A O no hydrogen 3.103 N/A ARG 221.A NH1 GLN 229.A OE1 no hydrogen 3.234 N/A ALA 223.A N THR 227.A O no hydrogen 2.784 N/A THR 227.A N ASP 225.A OD1 no hydrogen 2.848 N/A THR 227.A OG1 ASP 225.A OD1 no hydrogen 2.470 N/A THR 227.A OG1 ASP 225.A OD2 no hydrogen 3.505 N/A PHE 228.A N PHE 201.A O no hydrogen 2.943 N/A GLN 229.A N ARG 221.A O no hydrogen 2.808 N/A LYS 230.A N ALA 198.A O no hydrogen 3.048 N/A LYS 230.A NZ VAL 218.A O no hydrogen 2.717 N/A ALA 232.A N CYS 196.A O no hydrogen 3.000 N/A SER 233.A N GLU 216.A O.A no hydrogen 2.737 N/A SER 233.A N GLU 216.A O.B no hydrogen 2.691 N/A VAL 234.A N LEU 194.A O no hydrogen 3.118 N/A VAL 236.A N VAL 192.A O no hydrogen 2.809 N/A LYS 240.A N PRO 237.A O no hydrogen 3.285 N/A GLN 242.A NE2 TRP 261.A O no hydrogen 3.071 N/A TYR 244.A N GLU 241.A O no hydrogen 3.211 N/A CYS 246.A N LEU 259.A O no hydrogen 2.578 N/A CYS 246.A SG THR 209.A O no hydrogen 3.755 N/A ARG 247.A N THR 209.A O no hydrogen 3.107 N/A ARG 247.A NH2 GLN 211.A OE1 no hydrogen 3.349 N/A VAL 248.A N LEU 257.A O no hydrogen 3.024 N/A TYR 249.A N THR 207.A O no hydrogen 2.858 N/A HIS 250.A NE2 PRO 203.A O no hydrogen 2.757 N/A GLY 252.A N HIS 250.A ND1 no hydrogen 3.082 N/A LEU 253.A N HIS 250.A O no hydrogen 3.049 N/A LEU 257.A N VAL 248.A O no hydrogen 3.070 N/A LEU 259.A N CYS 246.A O no hydrogen 2.845 N/A