Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rtq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N CYS 98.A O no hydrogen 3.026 N/A ARG 5.A N TRP 25.A O no hydrogen 2.777 N/A CYS 6.A N ALA 96.A O no hydrogen 2.543 N/A LEU 7.A N VAL 23.A O no hydrogen 2.839 N/A GLN 8.A N LEU 94.A O no hydrogen 2.846 N/A GLN 8.A NE2 SER 10.A OG no hydrogen 2.815 N/A MET 9.A N ASP 21.A O no hydrogen 2.892 N/A SER 10.A N ILE 92.A O no hydrogen 2.716 N/A SER 10.A OG THR 20.A OG1 no hydrogen 2.875 N/A SER 11.A N ARG 19.A O no hydrogen 2.826 N/A SER 11.A OG GLU 91.A OE1 no hydrogen 2.609 N/A SER 11.A OG GLU 91.A OE2 no hydrogen 3.542 N/A PHE 12.A N ILE 90.A O no hydrogen 2.772 N/A SER 16.A N ASN 14.A OD1 no hydrogen 3.326 N/A TRP 17.A N ASN 14.A OD1 no hydrogen 2.913 N/A ARG 19.A N SER 11.A O no hydrogen 2.966 N/A ARG 19.A NE ASP 21.A OD2 no hydrogen 2.784 N/A THR 20.A N ASN 36.A OD1 no hydrogen 2.889 N/A THR 20.A OG1 SER 10.A OG no hydrogen 2.875 N/A ASP 21.A N MET 9.A O no hydrogen 2.972 N/A SER 22.A N TRP 34.A O no hydrogen 2.913 N/A VAL 23.A N LEU 7.A O no hydrogen 2.998 N/A VAL 24.A N HIS 32.A O no hydrogen 3.224 N/A TRP 25.A N ARG 5.A O no hydrogen 2.808 N/A LEU 26.A N LEU 29.A O no hydrogen 2.930 N/A GLY 27.A N THR 3.A O no hydrogen 2.916 N/A LEU 29.A N LEU 26.A O no hydrogen 3.401 N/A GLN 30.A N GLU 232.A OE1 no hydrogen 3.333 N/A GLN 30.A NE2 HIS 32.A O no hydrogen 3.094 N/A THR 31.A N VAL 24.A O no hydrogen 2.801 N/A THR 31.A OG1 VAL 24.A O no hydrogen 3.327 N/A THR 31.A OG1 HIS 32.A ND1 no hydrogen 2.940 N/A HIS 32.A ND1 THR 31.A OG1 no hydrogen 2.940 N/A ARG 33.A N SER 42.A O no hydrogen 2.936 N/A TRP 34.A N SER 22.A O no hydrogen 2.841 N/A TRP 34.A NE1 SER 38.A O no hydrogen 3.041 N/A SER 35.A OG ASP 37.A OD2 no hydrogen 3.232 N/A ASN 36.A N ASP 21.A OD1 no hydrogen 2.828 N/A ASP 37.A N SER 35.A OG no hydrogen 3.384 N/A SER 38.A N SER 35.A O no hydrogen 3.076 N/A SER 38.A OG THR 40.A O no hydrogen 2.574 N/A THR 40.A N SER 38.A OG no hydrogen 3.273 N/A ILE 41.A N GLN 61.A OE1 no hydrogen 2.783 N/A SER 42.A N ARG 33.A O no hydrogen 2.777 N/A THR 44.A N THR 31.A O no hydrogen 2.889 N/A THR 44.A OG1 GLN 30.A O no hydrogen 2.781 N/A LYS 45.A N SER 48.A OG no hydrogen 3.067 N/A LYS 45.A NZ GLN 30.A O no hydrogen 2.852 N/A LYS 45.A NZ GLU 232.A OE1 no hydrogen 3.070 N/A LYS 45.A NZ GLU 232.A OE2 no hydrogen 2.801 N/A TRP 47.A NE1 ASP 176.A OD2 no hydrogen 2.718 N/A SER 48.A N LYS 45.A O no hydrogen 3.393 N/A SER 48.A OG THR 31.A O no hydrogen 2.576 N/A SER 48.A OG LYS 45.A O no hydrogen 2.863 N/A GLN 49.A NE2 LEU 52.A O no hydrogen 2.954 N/A GLN 49.A NE2 ASN 54.A OD1 no hydrogen 2.883 N/A GLY 50.A N TRP 47.A O no hydrogen 2.950 N/A LEU 52.A N GLN 49.A O no hydrogen 3.373 N/A SER 53.A OG GLN 56.A OE1 no hydrogen 2.961 N/A GLN 56.A N SER 53.A OG no hydrogen 3.313 N/A TRP 57.A N SER 53.A O no hydrogen 2.913 N/A GLU 58.A N ASN 54.A O no hydrogen 2.913 N/A LYS 59.A N GLN 55.A O no hydrogen 3.238 N/A LEU 60.A N GLN 56.A O no hydrogen 3.144 N/A GLN 61.A N TRP 57.A O no hydrogen 2.703 N/A HIS 62.A N GLU 58.A O no hydrogen 2.997 N/A MET 63.A N LYS 59.A O no hydrogen 3.360 N/A PHE 64.A N LEU 60.A O no hydrogen 3.378 N/A GLN 65.A N GLN 61.A O no hydrogen 2.763 N/A GLN 65.A NE2 ALA 39.A O no hydrogen 2.913 N/A VAL 66.A N HIS 62.A O no hydrogen 2.959 N/A TYR 67.A N MET 63.A O no hydrogen 2.968 N/A TYR 67.A OH GLN 8.A OE1 no hydrogen 2.539 N/A ARG 68.A N PHE 64.A O no hydrogen 2.928 N/A ARG 68.A NH1 SER 35.A O no hydrogen 3.073 N/A ARG 68.A NH1 SER 38.A O no hydrogen 3.254 N/A ARG 68.A NH2 SER 38.A O no hydrogen 2.811 N/A SER 70.A N VAL 66.A O no hydrogen 2.966 N/A SER 70.A OG VAL 66.A O no hydrogen 2.786 N/A PHE 71.A N TYR 67.A O no hydrogen 2.600 N/A THR 72.A N ARG 68.A O no hydrogen 3.165 N/A THR 72.A OG1 ARG 68.A O no hydrogen 2.686 N/A ARG 73.A N VAL 69.A O no hydrogen 3.345 N/A ASP 74.A N SER 70.A O no hydrogen 2.796 N/A ILE 75.A N PHE 71.A O no hydrogen 3.024 N/A GLN 76.A N THR 72.A O no hydrogen 3.380 N/A GLU 77.A N ARG 73.A O no hydrogen 3.144 N/A LEU 78.A N ASP 74.A O no hydrogen 2.881 N/A VAL 79.A N ILE 75.A O no hydrogen 2.848 N/A LYS 80.A N GLN 76.A O no hydrogen 3.327 N/A LYS 80.A NZ GLU 77.A OE2 no hydrogen 2.792 N/A MET 81.A N GLU 77.A O no hydrogen 2.999 N/A MET 82.A N LEU 78.A O no hydrogen 3.139 N/A MET 82.A N VAL 79.A O no hydrogen 3.274 N/A SER 83.A N VAL 79.A O no hydrogen 3.007 N/A SER 83.A OG LYS 80.A O no hydrogen 2.835 N/A LYS 85.A N MET 82.A O no hydrogen 2.801 N/A TYR 88.A N ASP 87.A OD1 no hydrogen 2.874 N/A ILE 90.A N PHE 12.A O no hydrogen 2.812 N/A GLU 91.A N GLN 115.A OE1 no hydrogen 2.949 N/A ILE 92.A N SER 10.A O no hydrogen 2.808 N/A GLN 93.A N ALA 113.A O no hydrogen 2.980 N/A LEU 94.A N GLN 8.A O no hydrogen 2.773 N/A SER 95.A N HIS 111.A O no hydrogen 2.780 N/A ALA 96.A N CYS 6.A O no hydrogen 2.996 N/A GLY 97.A N PHE 109.A O no hydrogen 3.026 N/A CYS 98.A N PHE 4.A O no hydrogen 3.251 N/A GLU 99.A N GLU 107.A O no hydrogen 2.841 N/A MET 100.A N TYR 2.A O no hydrogen 2.847 N/A TYR 101.A N ALA 105.A O no hydrogen 3.052 N/A GLU 107.A N GLU 99.A O no hydrogen 3.135 N/A SER 108.A OG LEU 158.A O no hydrogen 2.576 N/A PHE 109.A N GLY 97.A O no hydrogen 2.790 N/A HIS 111.A N SER 95.A O no hydrogen 2.882 N/A VAL 112.A N VAL 120.A O no hydrogen 2.662 N/A ALA 113.A N GLN 93.A O no hydrogen 2.760 N/A PHE 114.A N LYS 117.A O no hydrogen 2.834 N/A GLN 115.A N GLU 91.A O no hydrogen 2.796 N/A GLN 115.A NE2 PRO 89.A O no hydrogen 3.096 N/A LYS 117.A N PHE 114.A O no hydrogen 3.200 N/A LYS 117.A NZ GLY 132.A O no hydrogen 3.114 N/A VAL 119.A N VAL 112.A O no hydrogen 3.079 N/A VAL 120.A N VAL 112.A O no hydrogen 3.262 N/A ARG 121.A N GLN 128.A O no hydrogen 2.900 N/A ARG 121.A NE GLN 128.A OE1 no hydrogen 2.726 N/A ARG 121.A NH2 GLN 128.A OE1 no hydrogen 2.920 N/A PHE 122.A N LEU 110.A O no hydrogen 3.117 N/A TRP 123.A N SER 126.A O no hydrogen 3.010 N/A SER 126.A N TRP 123.A O no hydrogen 3.378 N/A TRP 127.A N ASN 145.A OD1 no hydrogen 2.690 N/A GLN 128.A N ARG 121.A O no hydrogen 2.866 N/A VAL 130.A N VAL 119.A O no hydrogen 2.884 N/A ALA 133.A N VAL 130.A O no hydrogen 3.238 N/A LEU 137.A N PRO 134.A O no hydrogen 3.409 N/A ASP 138.A N SER 135.A O no hydrogen 3.034 N/A ILE 141.A N LEU 137.A O no hydrogen 3.001 N/A LYS 142.A N ASP 138.A O no hydrogen 2.935 N/A VAL 143.A N LEU 139.A O no hydrogen 2.849 N/A LEU 144.A N PRO 140.A O no hydrogen 2.801 N/A ASN 145.A N ILE 141.A O no hydrogen 3.015 N/A ASN 145.A ND2 TRP 127.A O no hydrogen 2.996 N/A ALA 146.A N VAL 143.A O no hydrogen 3.322 N/A ASP 147.A N LEU 144.A O no hydrogen 3.222 N/A THR 150.A N ASP 147.A OD1 no hydrogen 3.140 N/A THR 150.A OG1 ASP 147.A OD2 no hydrogen 2.665 N/A SER 151.A N ASP 147.A O no hydrogen 3.212 N/A SER 151.A OG THR 125.A O no hydrogen 2.677 N/A ALA 152.A N GLN 148.A O no hydrogen 3.007 N/A THR 153.A N GLY 149.A O no hydrogen 3.234 N/A THR 153.A OG1 GLY 149.A O no hydrogen 2.830 N/A VAL 154.A N THR 150.A O no hydrogen 2.824 N/A GLN 155.A N SER 151.A O no hydrogen 2.987 N/A GLN 155.A NE2 SER 151.A O no hydrogen 3.526 N/A GLN 155.A NE2 SER 151.A OG no hydrogen 3.188 N/A MET 156.A N ALA 152.A O no hydrogen 3.140 N/A LEU 157.A N THR 153.A O no hydrogen 2.889 N/A LEU 158.A N VAL 154.A O no hydrogen 2.934 N/A ASN 159.A N GLN 155.A O no hydrogen 2.849 N/A ASP 160.A N MET 156.A O no hydrogen 3.092 N/A THR 161.A N MET 156.A O no hydrogen 2.919 N/A THR 161.A OG1 MET 156.A O no hydrogen 3.093 N/A CYS 162.A N LEU 157.A O no hydrogen 2.936 N/A LEU 164.A N ASP 160.A O no hydrogen 3.347 N/A PHE 165.A N THR 161.A O no hydrogen 2.818 N/A VAL 166.A N CYS 162.A O no hydrogen 3.041 N/A ARG 167.A N PRO 163.A O no hydrogen 3.014 N/A ARG 167.A NH2 TYR 101.A O no hydrogen 3.091 N/A GLY 168.A N LEU 164.A O no hydrogen 3.217 N/A LEU 169.A N PHE 165.A O no hydrogen 2.886 N/A LEU 170.A N VAL 166.A O no hydrogen 2.903 N/A ALA 172.A N GLY 168.A O no hydrogen 3.378 N/A GLY 173.A N LEU 169.A O no hydrogen 2.986 N/A LEU 177.A N GLY 173.A O no hydrogen 2.982 N/A GLU 178.A N LYS 174.A O no hydrogen 3.119 N/A LYS 179.A N ASP 176.A O no hydrogen 3.405 N/A GLU 181.A N TYR 203.A O no hydrogen 3.183 N/A VAL 184.A N SER 200.A O no hydrogen 2.933 N/A TRP 186.A N HIS 198.A O no hydrogen 3.016 N/A SER 188.A N VAL 196.A O no hydrogen 3.133 N/A SER 188.A OG HIS 198.A NE2 no hydrogen 2.728 N/A VAL 190.A N GLN 194.A O no hydrogen 2.965 N/A GLN 194.A N VAL 190.A O no hydrogen 2.825 N/A LEU 195.A N LEU 240.A O no hydrogen 3.075 N/A VAL 196.A N SER 188.A O no hydrogen 2.806 N/A CYS 197.A N ALA 238.A O no hydrogen 2.942 N/A HIS 198.A N TRP 186.A O no hydrogen 2.885 N/A HIS 198.A ND1 TYR 235.A OH no hydrogen 2.812 N/A HIS 198.A NE2 SER 188.A OG no hydrogen 2.728 N/A VAL 199.A N LEU 236.A O no hydrogen 2.755 N/A SER 200.A N VAL 184.A O no hydrogen 3.021 N/A GLY 201.A N TRP 234.A O no hydrogen 2.881 N/A TYR 203.A N GLU 181.A O no hydrogen 3.205 N/A TYR 203.A OH ASP 28.A OD1 no hydrogen 2.609 N/A TRP 208.A N LYS 255.A O no hydrogen 2.898 N/A MET 210.A N ARG 253.A O no hydrogen 3.220 N/A TRP 211.A NE1 ALA 238.A O no hydrogen 3.083 N/A MET 212.A N ALA 251.A O no hydrogen 2.739 N/A ARG 213.A N GLN 216.A O no hydrogen 3.165 N/A GLN 216.A N ARG 213.A O no hydrogen 3.237 N/A GLN 218.A N TRP 211.A O no hydrogen 3.070 N/A THR 221.A N GLN 218.A O no hydrogen 3.463 N/A THR 221.A OG1 GLN 218.A O no hydrogen 2.727 N/A HIS 222.A N THR 239.A O no hydrogen 2.877 N/A GLY 224.A N GLN 237.A O no hydrogen 3.002 N/A LEU 227.A N TYR 235.A O no hydrogen 2.763 N/A ASN 229.A N THR 233.A O no hydrogen 2.794 N/A ASN 229.A ND2 THR 233.A OG1 no hydrogen 3.100 N/A THR 233.A OG1 ASP 231.A OD1 no hydrogen 2.688 N/A TRP 234.A N PHE 202.A O no hydrogen 3.046 N/A TRP 234.A NE1 ASP 28.A OD2 no hydrogen 2.769 N/A TYR 235.A N LEU 227.A O no hydrogen 2.611 N/A TYR 235.A OH HIS 198.A ND1 no hydrogen 2.812 N/A TYR 235.A OH GLN 237.A OE1 no hydrogen 3.098 N/A LEU 236.A N VAL 199.A O no hydrogen 2.782 N/A ALA 238.A N CYS 197.A O no hydrogen 3.064 N/A THR 239.A N HIS 222.A O no hydrogen 2.908 N/A THR 239.A OG1 HIS 222.A O no hydrogen 3.284 N/A LEU 240.A N LEU 195.A O no hydrogen 2.986 N/A VAL 242.A N ARG 193.A O no hydrogen 3.202 N/A GLY 245.A N GLU 247.A OE1 no hydrogen 2.861 N/A GLU 246.A N GLU 243.A O no hydrogen 3.109 N/A GLU 247.A N GLU 247.A OE1 no hydrogen 2.939 N/A LEU 250.A N GLU 247.A O no hydrogen 3.323 N/A ALA 251.A N MET 212.A O no hydrogen 2.697 N/A CYS 252.A N LEU 266.A O no hydrogen 2.998 N/A ARG 253.A N MET 210.A O no hydrogen 3.071 N/A VAL 254.A N ILE 264.A O no hydrogen 2.965 N/A LYS 255.A N TRP 208.A O no hydrogen 2.784 N/A LYS 255.A NZ ASP 263.A OD2 no hydrogen 2.788 N/A HIS 256.A ND1 SER 258.A OG no hydrogen 2.766 N/A HIS 256.A NE2 PRO 204.A O no hydrogen 2.881 N/A SER 257.A OG GLN 180.A OE1 no hydrogen 2.709 N/A SER 258.A N HIS 256.A ND1 no hydrogen 3.118 N/A SER 258.A OG GLU 181.A O no hydrogen 3.363 N/A SER 258.A OG HIS 256.A ND1 no hydrogen 2.766 N/A LEU 259.A N HIS 256.A O no hydrogen 3.273 N/A ILE 264.A N VAL 254.A O no hydrogen 3.281 N/A LEU 266.A N CYS 252.A O no hydrogen 2.932 N/A TRP 268.A N LEU 250.A O no hydrogen 3.306 N/A