Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3h1k_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 10.A N ASP 125.A OD2 no hydrogen 2.980 N/A TRP 12.A N PHE 10.A O no hydrogen 3.028 N/A TRP 12.A NE1 ASP 125.A OD2 no hydrogen 2.604 N/A HIS 14.A NE2 GLU 124.A OE2 no hydrogen 2.928 N/A GLY 15.A N TRP 12.A O no hydrogen 2.744 N/A SER 19.A N GLY 16.A O no hydrogen 2.829 N/A SER 19.A OG SER 13.A O no hydrogen 3.349 N/A SER 19.A OG GLY 16.A O no hydrogen 3.028 N/A LEU 21.A N ASP 199.A OD1 no hydrogen 3.343 N/A LEU 21.A N ASP 199.A OD2 no hydrogen 3.358 N/A SER 25.A N ASP 22.A OD2 no hydrogen 3.225 N/A SER 25.A OG ASP 185.A OD1 no hydrogen 2.554 N/A VAL 26.A N ASP 22.A O no hydrogen 3.153 N/A ARG 27.A N HIS 23.A O no hydrogen 2.929 N/A ARG 27.A NH1 THR 55.A O no hydrogen 2.658 N/A ARG 27.A NH1 GLU 60.A OE2 no hydrogen 2.784 N/A ARG 27.A NH2 GLU 60.A OE1 no hydrogen 3.220 N/A ARG 28.A N SER 24.A O no hydrogen 3.432 N/A ARG 28.A NE ASP 185.A OD2 no hydrogen 3.169 N/A ARG 28.A NH1 ASP 173.A OD2 no hydrogen 3.420 N/A ARG 28.A NH2 ASP 185.A OD2 no hydrogen 3.564 N/A GLY 29.A N SER 25.A O no hydrogen 2.800 N/A PHE 30.A N VAL 26.A O no hydrogen 2.758 N/A GLN 31.A N ARG 27.A O no hydrogen 3.444 N/A VAL 32.A N ARG 28.A O no hydrogen 3.115 N/A TYR 33.A N GLY 29.A O no hydrogen 3.095 N/A TYR 33.A N PHE 30.A O no hydrogen 2.960 N/A TYR 33.A OH HIS 41.A O no hydrogen 3.048 N/A LYS 34.A N PHE 30.A O no hydrogen 2.745 N/A LYS 34.A NZ GLU 67.A OE1 no hydrogen 3.035 N/A GLN 35.A N GLN 31.A O no hydrogen 2.590 N/A VAL 36.A N TYR 33.A O no hydrogen 3.252 N/A CYS 37.A N VAL 32.A O no hydrogen 3.481 N/A CYS 37.A SG VAL 32.A O no hydrogen 3.495 N/A SER 38.A N TYR 33.A O no hydrogen 2.680 N/A SER 38.A OG TYR 33.A O no hydrogen 2.751 N/A SER 38.A OG LYS 34.A O no hydrogen 2.627 N/A CYS 40.A N CYS 37.A O no hydrogen 2.963 N/A CYS 40.A SG TYR 95.A OH no hydrogen 3.855 N/A HIS 41.A N CYS 37.A O no hydrogen 2.709 N/A HIS 41.A ND1 PRO 111.A O no hydrogen 2.872 N/A SER 42.A OG ASP 112.A OD2 no hydrogen 3.184 N/A ASP 44.A N ASP 112.A OD2 no hydrogen 2.636 N/A TYR 45.A N SER 114.A OG no hydrogen 3.179 N/A VAL 46.A N MET 43.A O no hydrogen 3.045 N/A PHE 48.A N ASP 89.A O no hydrogen 3.313 N/A ARG 49.A N ILE 87.A O no hydrogen 3.032 N/A ASN 50.A N ALA 47.A O no hydrogen 2.804 N/A ASN 50.A ND2 ALA 47.A O no hydrogen 3.029 N/A LEU 51.A N PHE 48.A O no hydrogen 3.043 N/A ILE 52.A N ARG 49.A O no hydrogen 3.079 N/A VAL 54.A N LEU 51.A O no hydrogen 2.923 N/A THR 55.A N LEU 51.A O no hydrogen 2.804 N/A THR 55.A OG1 HIS 56.A ND1 no hydrogen 2.678 N/A HIS 56.A N LEU 51.A O no hydrogen 3.231 N/A HIS 56.A ND1 THR 55.A OG1 no hydrogen 2.678 N/A ALA 61.A N THR 57.A O no hydrogen 2.958 N/A LYS 62.A N GLU 58.A O no hydrogen 3.336 N/A ALA 63.A N ALA 59.A O no hydrogen 3.115 N/A LEU 64.A N GLU 60.A O no hydrogen 2.576 N/A ALA 65.A N ALA 61.A O no hydrogen 2.611 N/A GLU 66.A N ALA 63.A O no hydrogen 2.725 N/A GLU 67.A N ALA 63.A O no hydrogen 3.188 N/A VAL 70.A N ARG 83.A O no hydrogen 2.681 N/A ASP 72.A N PHE 81.A O no hydrogen 3.165 N/A ASP 75.A N GLU 79.A O no hydrogen 3.084 N/A GLY 78.A N ASP 75.A O no hydrogen 2.762 N/A PHE 81.A N ASP 72.A O no hydrogen 3.419 N/A ARG 83.A N VAL 70.A O no hydrogen 3.022 N/A GLY 85.A N VAL 68.A O no hydrogen 2.791 N/A LYS 86.A N ASP 89.A OD2 no hydrogen 3.060 N/A ASP 89.A N LYS 86.A O no hydrogen 2.753 N/A PHE 91.A N VAL 46.A O no hydrogen 3.069 N/A GLU 99.A N GLU 99.A OE1 no hydrogen 2.590 N/A ALA 100.A N ASN 97.A O no hydrogen 2.511 N/A ALA 100.A N ASN 97.A OD1 no hydrogen 3.255 N/A ARG 102.A N PRO 98.A O no hydrogen 2.908 N/A ARG 102.A NH1 GLY 107.A O no hydrogen 2.316 N/A ALA 104.A N ALA 100.A O no hydrogen 3.218 N/A ALA 104.A N ALA 101.A O no hydrogen 2.668 N/A ASN 105.A N ARG 102.A O no hydrogen 2.998 N/A ASN 105.A ND2 TYR 95.A OH no hydrogen 2.977 N/A ASN 105.A ND2 ALA 101.A O no hydrogen 3.559 N/A GLY 107.A N ARG 102.A O no hydrogen 3.008 N/A LEU 113.A N SER 42.A O no hydrogen 2.672 N/A SER 114.A N ASP 112.A OD1 no hydrogen 2.651 N/A SER 114.A OG ASP 112.A OD1 no hydrogen 2.424 N/A SER 114.A OG ASP 112.A OD2 no hydrogen 3.521 N/A ALA 119.A N ILE 116.A O no hydrogen 2.746 N/A ARG 120.A N VAL 117.A O no hydrogen 3.432 N/A ARG 120.A NH1 ALA 119.A O no hydrogen 3.242 N/A GLY 123.A N ARG 120.A O no hydrogen 3.144 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 2.708 N/A TYR 126.A N GLY 122.A O no hydrogen 2.726 N/A VAL 127.A N GLY 123.A O no hydrogen 2.779 N/A PHE 128.A N GLU 124.A O no hydrogen 2.682 N/A SER 129.A OG ASP 125.A O no hydrogen 3.151 N/A LEU 130.A N TYR 126.A O no hydrogen 3.068 N/A THR 132.A N PHE 128.A O no hydrogen 3.086 N/A THR 132.A OG1 PHE 128.A O no hydrogen 3.297 N/A THR 132.A OG1 THR 132.A O no hydrogen 2.563 N/A TYR 134.A OH MET 160.A O no hydrogen 2.519 N/A CYS 135.A N TYR 149.A O no hydrogen 3.450 N/A CYS 135.A SG ASP 136.A O no hydrogen 3.780 N/A VAL 141.A N PRO 138.A O no hydrogen 3.097 N/A LEU 147.A N ARG 144.A O no hydrogen 3.022 N/A HIS 148.A N ILE 158.A O no hydrogen 2.904 N/A ASN 150.A N GLN 156.A O no hydrogen 2.955 N/A ASN 150.A ND2 LEU 130.A O no hydrogen 2.937 N/A TYR 152.A N ASN 150.A OD1 no hydrogen 3.280 N/A PHE 153.A N ASN 150.A O no hydrogen 3.265 N/A GLN 156.A N PHE 153.A O no hydrogen 2.621 N/A ILE 158.A N HIS 148.A O no hydrogen 3.231 N/A GLU 167.A N ALA 177.A O no hydrogen 2.886 N/A TYR 171.A OH ASP 185.A OD2 no hydrogen 2.614 N/A GLY 174.A N TYR 171.A O no hydrogen 2.725 N/A THR 175.A N ASP 173.A OD1 no hydrogen 2.773 N/A THR 175.A OG1 ASP 173.A OD1 no hydrogen 2.995 N/A THR 175.A OG1 ASP 173.A OD2 no hydrogen 3.274 N/A MET 179.A N ASN 166.A OD1 no hydrogen 3.007 N/A GLN 181.A NE2 ASP 185.A OD2 no hydrogen 2.693 N/A ILE 182.A N THR 178.A O no hydrogen 3.002 N/A ILE 182.A N MET 179.A O no hydrogen 2.569 N/A ALA 183.A N MET 179.A O no hydrogen 3.005 N/A LYS 184.A N SER 180.A O no hydrogen 2.593 N/A ASP 185.A N GLN 181.A O no hydrogen 3.206 N/A VAL 186.A N ILE 182.A O no hydrogen 2.833 N/A CYS 187.A N ALA 183.A O no hydrogen 2.970 N/A CYS 187.A SG GLU 124.A O no hydrogen 3.734 N/A CYS 187.A SG ALA 183.A O no hydrogen 3.315 N/A THR 188.A N LYS 184.A O no hydrogen 2.993 N/A PHE 189.A N ASP 185.A O no hydrogen 2.711 N/A LEU 190.A N VAL 186.A O no hydrogen 2.844 N/A ARG 191.A N CYS 187.A O no hydrogen 3.056 N/A ARG 191.A NH1 ASN 118.A OD1 no hydrogen 2.880 N/A ARG 191.A NH1 GLU 195.A OE2 no hydrogen 3.035 N/A TRP 192.A N THR 188.A O no hydrogen 3.261 N/A ALA 193.A N PHE 189.A O no hydrogen 2.801 N/A ALA 194.A N LEU 190.A O no hydrogen 2.932 N/A GLU 195.A N ARG 191.A O no hydrogen 2.943 N/A GLU 195.A N TRP 192.A O no hydrogen 2.781 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.888 N/A HIS 198.A N GLU 195.A O no hydrogen 2.569 N/A HIS 198.A ND1 ASP 199.A OD1 no hydrogen 2.841 N/A ARG 201.A N GLU 197.A O no hydrogen 3.188 N/A LYS 202.A N HIS 198.A O no hydrogen 2.999 N/A LYS 202.A NZ GLY 16.A O no hydrogen 2.937 N/A LYS 202.A NZ SER 19.A O no hydrogen 3.215 N/A LYS 202.A NZ HIS 198.A NE2 no hydrogen 2.954 N/A ARG 203.A N ASP 199.A O no hydrogen 2.827 N/A MET 204.A N GLN 200.A O no hydrogen 2.886 N/A GLY 205.A N ARG 201.A O no hydrogen 2.920 N/A LEU 206.A N LYS 202.A O no hydrogen 3.072 N/A LYS 207.A N ARG 203.A O no hydrogen 3.345 N/A MET 208.A N MET 204.A O no hydrogen 2.680 N/A LEU 209.A N GLY 205.A O no hydrogen 2.719 N/A LEU 210.A N LEU 206.A O no hydrogen 2.965 N/A ILE 211.A N LYS 207.A O no hydrogen 2.956 N/A SER 212.A N MET 208.A O no hydrogen 2.869 N/A ALA 213.A N LEU 209.A O no hydrogen 2.946 N/A LEU 214.A N LEU 210.A O no hydrogen 3.073 N/A LEU 215.A N ILE 211.A O no hydrogen 2.808 N/A THR 216.A N SER 212.A O no hydrogen 2.866 N/A THR 216.A OG1 SER 212.A O no hydrogen 3.475 N/A SER 217.A N ALA 213.A O no hydrogen 3.117 N/A SER 217.A OG ALA 213.A O no hydrogen 2.854 N/A LEU 218.A N LEU 214.A O no hydrogen 2.998 N/A LEU 219.A N LEU 215.A O no hydrogen 3.170 N/A TYR 220.A N THR 216.A O no hydrogen 2.851 N/A TYR 221.A N SER 217.A O no hydrogen 3.094 N/A MET 222.A N LEU 218.A O no hydrogen 3.154 N/A LYS 223.A N LEU 219.A O no hydrogen 2.745 N/A ARG 224.A N TYR 220.A O no hydrogen 3.025 N/A HIS 225.A N TYR 221.A O no hydrogen 2.589 N/A LYS 226.A N MET 222.A O no hydrogen 3.101 N/A TRP 227.A N LYS 223.A O no hydrogen 2.927 N/A SER 228.A N ARG 224.A O no hydrogen 2.559 N/A SER 228.A N HIS 225.A O no hydrogen 2.976 N/A SER 228.A OG HIS 225.A O no hydrogen 2.665 N/A LEU 230.A N TRP 227.A O no hydrogen 2.713 N/A LYS 231.A N TRP 227.A O no hydrogen 3.165 N/A SER 232.A N SER 228.A O no hydrogen 2.730 N/A SER 232.A OG SER 228.A O no hydrogen 3.367 N/A ARG 233.A N LEU 230.A O no hydrogen 3.023 N/A