Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1sqq_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 12.A NE1 ASP 125.A OD2 no hydrogen 2.602 N/A HIS 14.A NE2 GLU 124.A OE1 no hydrogen 2.693 N/A SER 20.A OG LEU 21.A O no hydrogen 2.995 N/A SER 20.A OG ASP 199.A OD1 no hydrogen 3.179 N/A SER 20.A OG ASP 199.A OD2 no hydrogen 2.670 N/A LEU 21.A N ASP 199.A OD1 no hydrogen 2.992 N/A HIS 23.A NE2 ASP 199.A OD2 no hydrogen 2.908 N/A THR 24.A OG1 ASP 22.A OD1 no hydrogen 2.613 N/A SER 25.A OG ASP 185.A OD1 no hydrogen 2.741 N/A ILE 26.A N ASP 22.A O no hydrogen 2.854 N/A ARG 27.A N HIS 23.A O no hydrogen 3.093 N/A ARG 28.A N THR 24.A O no hydrogen 3.303 N/A ARG 28.A NH1 ASP 185.A OD2 no hydrogen 2.803 N/A GLY 29.A N SER 25.A O no hydrogen 3.116 N/A PHE 30.A N ILE 26.A O no hydrogen 2.686 N/A GLN 31.A N ARG 27.A O no hydrogen 3.002 N/A GLN 31.A NE2 TYR 56.A OH no hydrogen 3.481 N/A GLN 31.A NE2 ASP 172.A OD1 no hydrogen 2.935 N/A VAL 32.A N ARG 28.A O no hydrogen 2.724 N/A TYR 33.A N GLY 29.A O no hydrogen 2.856 N/A TYR 33.A OH HIS 41.A O no hydrogen 2.826 N/A LYS 34.A N PHE 30.A O no hydrogen 2.710 N/A LYS 34.A N GLN 31.A O no hydrogen 2.958 N/A LYS 34.A NZ GLU 67.A OE1 no hydrogen 3.188 N/A GLN 35.A N GLN 31.A O no hydrogen 3.254 N/A GLN 35.A NE2 LEU 169.A O no hydrogen 3.559 N/A VAL 36.A N VAL 32.A O no hydrogen 3.302 N/A CYS 37.A N TYR 33.A O no hydrogen 3.127 N/A CYS 37.A SG VAL 32.A O no hydrogen 3.369 N/A SER 38.A OG TYR 33.A O no hydrogen 3.341 N/A SER 38.A OG LYS 34.A O no hydrogen 2.301 N/A HIS 41.A ND1 PRO 111.A O no hydrogen 2.999 N/A ASP 44.A N ASP 112.A OD1 no hydrogen 3.415 N/A TYR 45.A N MET 43.A O no hydrogen 2.765 N/A VAL 46.A N MET 43.A O no hydrogen 3.202 N/A ALA 47.A N HIS 50.A ND1 no hydrogen 3.223 N/A ARG 49.A N LEU 87.A O no hydrogen 2.768 N/A HIS 50.A N ALA 47.A O no hydrogen 2.963 N/A LEU 51.A N TYR 48.A O no hydrogen 2.892 N/A VAL 54.A N LEU 51.A O no hydrogen 3.243 N/A CYS 55.A SG LEU 51.A O no hydrogen 3.798 N/A TYR 56.A N LEU 51.A O no hydrogen 3.169 N/A THR 57.A N GLU 60.A OE2 no hydrogen 3.357 N/A ALA 61.A N THR 57.A O no hydrogen 3.143 N/A LYS 62.A N GLU 58.A O no hydrogen 3.422 N/A ALA 63.A N ASP 59.A O no hydrogen 3.012 N/A LEU 64.A N GLU 60.A O no hydrogen 2.810 N/A ALA 65.A N ALA 61.A O no hydrogen 3.058 N/A ALA 65.A N LYS 62.A O no hydrogen 3.180 N/A GLU 66.A N LYS 62.A O no hydrogen 3.133 N/A VAL 68.A N ALA 65.A O no hydrogen 3.418 N/A ASP 72.A N PHE 81.A O no hydrogen 2.762 N/A GLY 73.A N ASP 72.A OD1 no hydrogen 3.095 N/A GLY 78.A N ASN 75.A O no hydrogen 3.011 N/A LYS 86.A N ASP 89.A OD2 no hydrogen 2.883 N/A LEU 87.A N SER 88.A OG no hydrogen 2.943 N/A PHE 91.A N VAL 46.A O no hydrogen 3.285 N/A LYS 93.A NZ ASP 44.A OD1 no hydrogen 3.568 N/A ARG 102.A N GLU 99.A O no hydrogen 3.188 N/A ALA 103.A N GLU 99.A O no hydrogen 3.383 N/A ASN 105.A N ALA 101.A O no hydrogen 3.132 N/A ASN 105.A ND2 ALA 101.A O no hydrogen 3.521 N/A LEU 113.A N SER 42.A O no hydrogen 2.884 N/A SER 114.A OG ASP 112.A OD1 no hydrogen 2.807 N/A ILE 116.A N LEU 113.A O no hydrogen 2.963 N/A ARG 118.A NE ALA 194.A O no hydrogen 3.386 N/A ARG 118.A NH2 ALA 194.A O no hydrogen 3.384 N/A ARG 118.A NH2 GLU 197.A OE2 no hydrogen 3.060 N/A ALA 119.A N ILE 116.A O no hydrogen 3.312 N/A ARG 120.A NE ALA 119.A O no hydrogen 2.973 N/A ARG 120.A NH2 ALA 119.A O no hydrogen 3.347 N/A ASP 125.A N GLY 122.A O no hydrogen 2.812 N/A TYR 126.A OH TYR 152.A O no hydrogen 3.370 N/A VAL 127.A N GLY 123.A O no hydrogen 3.468 N/A PHE 128.A N GLU 124.A O no hydrogen 2.764 N/A SER 129.A N ASP 125.A O no hydrogen 2.685 N/A SER 129.A OG ASP 125.A O no hydrogen 3.399 N/A LEU 130.A N TYR 126.A O no hydrogen 3.024 N/A LEU 131.A N VAL 127.A O no hydrogen 3.153 N/A THR 132.A N PHE 128.A O no hydrogen 2.959 N/A GLY 133.A N SER 129.A O no hydrogen 2.711 N/A ARG 144.A N LEU 147.A O no hydrogen 3.362 N/A GLU 145.A N LEU 147.A O no hydrogen 3.134 N/A ASN 150.A ND2 LEU 130.A O no hydrogen 2.815 N/A GLN 156.A N PHE 153.A O no hydrogen 2.804 N/A GLN 156.A NE2 LEU 3.A O no hydrogen 2.725 N/A ILE 158.A N TYR 148.A O no hydrogen 3.297 N/A GLY 174.A N THR 175.A OG1 no hydrogen 2.749 N/A GLN 181.A N THR 178.A O no hydrogen 2.920 N/A VAL 182.A N THR 178.A O no hydrogen 2.999 N/A ALA 183.A N MET 179.A O no hydrogen 2.835 N/A LYS 184.A N SER 180.A O no hydrogen 2.815 N/A LYS 184.A NZ SER 25.A OG no hydrogen 2.817 N/A VAL 186.A N VAL 182.A O no hydrogen 3.227 N/A CYS 187.A N ALA 183.A O no hydrogen 3.496 N/A CYS 187.A SG GLU 124.A O no hydrogen 3.783 N/A CYS 187.A SG ALA 183.A O no hydrogen 3.370 N/A THR 188.A N LYS 184.A O no hydrogen 2.879 N/A THR 188.A OG1 LYS 184.A O no hydrogen 2.618 N/A PHE 189.A N ASP 185.A O no hydrogen 2.824 N/A LEU 190.A N VAL 186.A O no hydrogen 2.694 N/A ARG 191.A N CYS 187.A O no hydrogen 2.771 N/A ARG 191.A NH1 GLU 124.A OE2 no hydrogen 2.984 N/A ARG 191.A NH2 GLU 195.A OE1 no hydrogen 3.456 N/A ALA 193.A N PHE 189.A O no hydrogen 3.090 N/A ALA 194.A N LEU 190.A O no hydrogen 3.019 N/A GLU 195.A N TRP 192.A O no hydrogen 3.355 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.925 N/A HIS 198.A ND1 ASP 199.A OD1 no hydrogen 2.895 N/A ARG 201.A N GLU 197.A O no hydrogen 2.892 N/A LYS 202.A N HIS 198.A O no hydrogen 3.050 N/A LYS 202.A NZ GLY 16.A O no hydrogen 3.065 N/A LYS 202.A NZ HIS 198.A NE2 no hydrogen 3.126 N/A ARG 203.A N ASP 199.A O no hydrogen 2.869 N/A MET 204.A N HIS 200.A O no hydrogen 2.726 N/A GLY 205.A N ARG 201.A O no hydrogen 2.983 N/A LEU 206.A N LYS 202.A O no hydrogen 3.128 N/A LYS 207.A N ARG 203.A O no hydrogen 3.224 N/A MET 208.A N MET 204.A O no hydrogen 2.665 N/A LEU 209.A N GLY 205.A O no hydrogen 2.820 N/A LEU 210.A N LEU 206.A O no hydrogen 2.968 N/A MET 211.A N LYS 207.A O no hydrogen 2.776 N/A MET 212.A N MET 208.A O no hydrogen 2.776 N/A GLY 213.A N LEU 209.A O no hydrogen 2.722 N/A LEU 214.A N LEU 210.A O no hydrogen 3.287 N/A LEU 215.A N MET 211.A O no hydrogen 2.792 N/A LEU 216.A N MET 212.A O no hydrogen 2.702 N/A VAL 219.A N LEU 215.A O no hydrogen 3.029 N/A TYR 220.A N LEU 216.A O no hydrogen 3.062 N/A ALA 221.A N PRO 217.A O no hydrogen 2.703 N/A MET 222.A N LEU 218.A O no hydrogen 2.993 N/A LYS 223.A N VAL 219.A O no hydrogen 2.889 N/A ARG 224.A N TYR 220.A O no hydrogen 2.811 N/A HIS 225.A N ALA 221.A O no hydrogen 3.164 N/A LYS 226.A N MET 222.A O no hydrogen 3.162 N/A TRP 227.A N LYS 223.A O no hydrogen 2.779 N/A SER 228.A N HIS 225.A O no hydrogen 3.414 N/A SER 228.A OG HIS 225.A O no hydrogen 2.877 N/A LYS 231.A N TRP 227.A O no hydrogen 2.989 N/A SER 232.A N SER 228.A O no hydrogen 3.217 N/A SER 232.A OG SER 228.A O no hydrogen 3.053 N/A ARG 233.A N LEU 230.A O no hydrogen 3.005 N/A