Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6xqp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH2 GLN 177.A O no hydrogen 3.401 N/A HIS 3.A N LEU 100.A O no hydrogen 3.109 N/A SER 4.A N ASP 29.A OD1 no hydrogen 3.218 N/A LEU 5.A N CYS 98.A O no hydrogen 3.034 N/A ARG 6.A N TYR 27.A O no hydrogen 3.025 N/A TYR 7.A N ILE 96.A O no hydrogen 2.854 N/A PHE 8.A N VAL 25.A O no hydrogen 2.932 N/A ARG 9.A N ARG 94.A O no hydrogen 3.018 N/A LEU 10.A N ILE 23.A O no hydrogen 2.638 N/A GLY 11.A N TYR 92.A O no hydrogen 2.741 N/A VAL 12.A N GLU 21.A O no hydrogen 3.064 N/A SER 13.A N HIS 90.A O no hydrogen 2.919 N/A SER 13.A OG GLN 81.A OE1 no hydrogen 2.803 N/A SER 13.A OG GLY 88.A O no hydrogen 3.512 N/A SER 13.A OG HIS 90.A O no hydrogen 3.364 N/A VAL 19.A N ILE 16.A O no hydrogen 3.291 N/A GLU 21.A N SER 38.A OG no hydrogen 3.003 N/A PHE 22.A N SER 38.A OG no hydrogen 3.338 N/A ILE 23.A N LEU 10.A O no hydrogen 2.841 N/A SER 24.A N TYR 36.A O no hydrogen 2.754 N/A SER 24.A OG PHE 8.A O no hydrogen 2.810 N/A VAL 25.A N PHE 8.A O no hydrogen 3.326 N/A GLY 26.A N THR 34.A O no hydrogen 2.970 N/A TYR 27.A N ARG 6.A O no hydrogen 2.884 N/A VAL 28.A N HIS 31.A O no hydrogen 3.037 N/A ASP 29.A N SER 4.A O no hydrogen 2.701 N/A HIS 31.A N VAL 28.A O no hydrogen 2.929 N/A HIS 31.A NE2 TYR 200.A OH no hydrogen 2.854 N/A ILE 33.A N GLY 26.A O no hydrogen 2.743 N/A THR 34.A N GLY 26.A O no hydrogen 3.383 N/A THR 35.A N GLU 44.A O no hydrogen 3.163 N/A TYR 36.A OH GLN 70.A OE1 no hydrogen 2.676 N/A SER 38.A N PHE 22.A O no hydrogen 2.928 N/A VAL 39.A N ASP 37.A OD1 no hydrogen 2.770 N/A THR 40.A N ASP 37.A OD1 no hydrogen 2.712 N/A THR 40.A OG1 GLN 42.A O no hydrogen 3.326 N/A ARG 41.A N ASP 37.A O no hydrogen 2.941 N/A GLN 42.A N THR 40.A OG1 no hydrogen 3.165 N/A LYS 43.A N THR 63.A OG1 no hydrogen 3.002 N/A LYS 43.A NZ HIS 58.A NE2 no hydrogen 3.547 N/A GLU 44.A N THR 35.A O no hydrogen 2.937 N/A ARG 46.A N ILE 33.A O no hydrogen 2.926 N/A MET 50.A N ALA 47.A O no hydrogen 3.059 N/A GLU 52.A N PRO 48.A O no hydrogen 3.219 N/A LEU 54.A N MET 50.A O no hydrogen 3.243 N/A HIS 58.A N ALA 55.A O no hydrogen 2.942 N/A GLU 60.A N PRO 56.A O no hydrogen 3.007 N/A ARG 61.A N ASP 57.A O no hydrogen 3.042 N/A TYR 62.A N HIS 58.A O no hydrogen 3.178 N/A THR 63.A N TRP 59.A O no hydrogen 3.011 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.439 N/A GLN 64.A N GLU 60.A O no hydrogen 3.256 N/A LEU 65.A N ARG 61.A O no hydrogen 3.109 N/A LEU 66.A N TYR 62.A O no hydrogen 2.930 N/A ARG 67.A N THR 63.A O no hydrogen 2.858 N/A ARG 67.A NE ARG 41.A O no hydrogen 3.120 N/A ARG 67.A NH2 ARG 41.A O no hydrogen 3.253 N/A GLY 68.A N GLN 64.A O no hydrogen 3.211 N/A TRP 69.A N LEU 65.A O no hydrogen 2.696 N/A GLN 70.A N LEU 66.A O no hydrogen 2.795 N/A GLN 71.A N ARG 67.A O no hydrogen 3.212 N/A MET 72.A N GLY 68.A O no hydrogen 2.956 N/A PHE 73.A N TRP 69.A O no hydrogen 3.097 N/A LYS 74.A N GLN 70.A O no hydrogen 3.161 N/A VAL 75.A N GLN 71.A O no hydrogen 3.002 N/A GLU 76.A N MET 72.A O no hydrogen 2.588 N/A LEU 77.A N PHE 73.A O no hydrogen 2.883 N/A LYS 78.A N LYS 74.A O no hydrogen 3.096 N/A ARG 79.A N VAL 75.A O no hydrogen 3.018 N/A LEU 80.A N GLU 76.A O no hydrogen 3.116 N/A GLN 81.A N LEU 77.A O no hydrogen 3.081 N/A GLN 81.A NE2 LEU 77.A O no hydrogen 3.247 N/A ARG 82.A N LYS 78.A O no hydrogen 3.066 N/A ARG 82.A N ARG 79.A O no hydrogen 3.358 N/A HIS 83.A N ARG 79.A O no hydrogen 3.067 N/A HIS 83.A N LEU 80.A O no hydrogen 3.093 N/A HIS 83.A ND1 ARG 79.A O no hydrogen 3.258 N/A TYR 84.A N LEU 80.A O no hydrogen 2.922 N/A TYR 84.A OH ASP 133.A OD2 no hydrogen 2.318 N/A HIS 86.A N GLN 81.A O no hydrogen 2.796 N/A HIS 86.A ND1 TYR 114.A OH no hydrogen 2.808 N/A SER 89.A OG SER 13.A O no hydrogen 2.923 N/A HIS 90.A N SER 13.A OG no hydrogen 2.836 N/A HIS 90.A ND1 ASP 115.A OD2 no hydrogen 2.783 N/A THR 91.A N ASP 115.A OD1 no hydrogen 2.897 N/A TYR 92.A N GLY 11.A O no hydrogen 2.814 N/A TYR 92.A OH GLU 76.A OE1 no hydrogen 3.036 N/A GLN 93.A N ALA 113.A O no hydrogen 2.779 N/A ARG 94.A N ARG 9.A O no hydrogen 3.050 N/A ARG 94.A NE TYR 112.A OH no hydrogen 2.753 N/A ARG 94.A NH2 TYR 112.A OH no hydrogen 3.356 N/A MET 95.A N GLN 111.A O no hydrogen 2.975 N/A ILE 96.A N TYR 7.A O no hydrogen 3.115 N/A GLY 97.A N PHE 109.A O no hydrogen 2.977 N/A CYS 98.A N LEU 5.A O no hydrogen 2.846 N/A GLU 99.A N THR 107.A O no hydrogen 3.004 N/A LEU 100.A N HIS 3.A O no hydrogen 2.654 N/A LEU 101.A N SER 105.A O no hydrogen 2.830 N/A GLY 104.A N LEU 101.A O no hydrogen 3.265 N/A SER 105.A N ASP 103.A OD1 no hydrogen 3.080 N/A SER 105.A OG ASP 103.A OD1 no hydrogen 2.619 N/A SER 105.A OG ASP 103.A OD2 no hydrogen 3.503 N/A THR 107.A N GLU 99.A O no hydrogen 3.146 N/A THR 107.A OG1 GLU 99.A OE2 no hydrogen 3.180 N/A PHE 109.A N GLY 97.A O no hydrogen 3.011 N/A GLN 111.A N MET 95.A O no hydrogen 3.052 N/A TYR 112.A N LEU 120.A O no hydrogen 2.786 N/A ALA 113.A N GLN 93.A O no hydrogen 2.809 N/A TYR 114.A N GLN 117.A O no hydrogen 3.125 N/A TYR 114.A OH HIS 86.A ND1 no hydrogen 2.808 N/A ASP 115.A N THR 91.A O no hydrogen 3.010 N/A GLN 117.A N TYR 114.A O no hydrogen 3.388 N/A PHE 119.A N TYR 112.A O no hydrogen 2.953 N/A LEU 120.A N TYR 112.A O no hydrogen 3.301 N/A ILE 121.A N LEU 130.A O no hydrogen 3.164 N/A PHE 122.A N LEU 110.A O no hydrogen 2.925 N/A ASN 123.A N SER 128.A O no hydrogen 2.939 N/A LYS 124.A NZ GLU 158.A OE1 no hydrogen 3.267 N/A ASP 125.A N ASN 123.A OD1 no hydrogen 3.064 N/A THR 126.A N ASN 123.A O no hydrogen 3.222 N/A THR 126.A OG1 SER 128.A OG no hydrogen 2.593 N/A SER 128.A N ASN 123.A O no hydrogen 3.450 N/A SER 128.A OG THR 126.A OG1 no hydrogen 2.593 N/A TRP 129.A N GLU 144.A OE1 no hydrogen 2.873 N/A LEU 130.A N ILE 121.A O no hydrogen 2.654 N/A VAL 132.A N PHE 119.A O no hydrogen 3.239 N/A ALA 136.A N ASP 133.A OD1 no hydrogen 2.934 N/A HIS 137.A N ASP 133.A O no hydrogen 2.777 N/A THR 138.A N ASN 134.A O no hydrogen 2.956 N/A THR 138.A OG1 ASN 134.A O no hydrogen 3.283 N/A ILE 139.A N VAL 135.A O no hydrogen 3.447 N/A LYS 140.A N ALA 136.A O no hydrogen 2.827 N/A LYS 140.A NZ TRP 129.A O no hydrogen 2.959 N/A LYS 140.A NZ GLU 144.A OE1 no hydrogen 2.508 N/A LYS 140.A NZ GLU 144.A OE2 no hydrogen 3.002 N/A GLN 141.A N HIS 137.A O no hydrogen 3.019 N/A ALA 142.A N THR 138.A O no hydrogen 3.262 N/A TRP 143.A N ILE 139.A O no hydrogen 3.042 N/A GLU 144.A N LYS 140.A O no hydrogen 2.909 N/A ALA 145.A N GLN 141.A O no hydrogen 2.988 N/A ASN 146.A N TRP 143.A O no hydrogen 2.906 N/A LEU 150.A N ASN 146.A O no hydrogen 3.282 N/A LEU 151.A N GLN 147.A O no hydrogen 2.797 N/A TYR 152.A N HIS 148.A O no hydrogen 2.639 N/A GLN 153.A N GLU 149.A O no hydrogen 3.154 N/A LYS 154.A N LEU 150.A O no hydrogen 3.073 N/A LYS 154.A NZ LYS 124.A O no hydrogen 3.422 N/A LYS 154.A NZ GLU 158.A OE1 no hydrogen 2.836 N/A LYS 154.A NZ GLU 158.A OE2 no hydrogen 3.234 N/A ASN 155.A N LEU 151.A O no hydrogen 2.893 N/A TRP 156.A N TYR 152.A O no hydrogen 3.140 N/A LEU 157.A N GLN 153.A O no hydrogen 2.997 N/A GLU 158.A N LYS 154.A O no hydrogen 3.092 N/A GLU 159.A N ASN 155.A O no hydrogen 2.770 N/A GLU 160.A N ASN 155.A O no hydrogen 3.416 N/A CYS 161.A N TRP 156.A O no hydrogen 2.749 N/A CYS 161.A SG LEU 5.A O no hydrogen 3.882 N/A ALA 163.A N GLU 159.A O no hydrogen 3.094 N/A TRP 164.A N GLU 160.A O no hydrogen 2.874 N/A TRP 164.A NE1 GLU 160.A OE2 no hydrogen 3.135 N/A LEU 165.A N CYS 161.A O no hydrogen 2.788 N/A LYS 166.A N ILE 162.A O no hydrogen 3.082 N/A ARG 167.A N ALA 163.A O no hydrogen 3.037 N/A PHE 168.A N TRP 164.A O no hydrogen 2.760 N/A LEU 169.A N LEU 165.A O no hydrogen 2.880 N/A GLU 170.A N LYS 166.A O no hydrogen 3.120 N/A TYR 171.A N ARG 167.A O no hydrogen 3.183 N/A GLY 172.A N PHE 168.A O no hydrogen 3.066 N/A THR 175.A N GLY 172.A O no hydrogen 3.091 N/A LEU 176.A N GLY 172.A O no hydrogen 2.869 N/A ARG 178.A NE GLU 180.A OE1 no hydrogen 3.560 N/A ARG 178.A NH1 THR 175.A O no hydrogen 2.700 N/A ARG 178.A NH2 GLY 221.A O no hydrogen 2.933 N/A GLU 180.A N TYR 200.A O no hydrogen 2.779 N/A LEU 183.A N HIS 197.A O no hydrogen 2.940 N/A ARG 185.A N LYS 195.A O no hydrogen 2.810 N/A ASN 187.A N PHE 193.A O no hydrogen 2.983 N/A THR 191.A OG1 GLU 190.A O no hydrogen 2.716 N/A CYS 194.A N ALA 227.A O no hydrogen 2.992 N/A LYS 195.A N ARG 185.A O no hydrogen 2.795 N/A ALA 196.A N ALA 225.A O no hydrogen 2.873 N/A PHE 199.A N TYR 223.A O no hydrogen 3.393 N/A TYR 200.A N GLU 180.A O no hydrogen 3.193 N/A TYR 200.A OH HIS 31.A NE2 no hydrogen 2.854 N/A TYR 205.A N GLU 233.A O no hydrogen 2.978 N/A THR 207.A N HIS 231.A O no hydrogen 3.054 N/A TRP 208.A N THR 207.A OG1 no hydrogen 2.665 N/A ASP 211.A N SER 228.A O no hydrogen 2.795 N/A GLY 213.A N TRP 226.A O no hydrogen 2.924 N/A LEU 216.A N GLN 224.A O no hydrogen 3.016 N/A SER 218.A N THR 222.A O no hydrogen 2.993 N/A THR 222.A N ASP 220.A OD1 no hydrogen 3.312 N/A THR 222.A OG1 ASP 220.A OD1 no hydrogen 2.926 N/A TYR 223.A N PHE 199.A O no hydrogen 2.923 N/A GLN 224.A N LEU 216.A O no hydrogen 3.069 N/A GLN 224.A NE2 SER 218.A OG no hydrogen 2.975 N/A ALA 225.A N ALA 196.A O no hydrogen 2.890 N/A ALA 227.A N CYS 194.A O no hydrogen 3.198 N/A SER 228.A N ASP 211.A O no hydrogen 2.499 N/A ILE 229.A N LEU 192.A O no hydrogen 3.345 N/A CYS 230.A SG THR 207.A O no hydrogen 3.944 N/A CYS 230.A SG HIS 231.A O no hydrogen 3.948 N/A HIS 231.A N THR 207.A O no hydrogen 3.128 N/A VAL 232.A N MET 239.A O no hydrogen 3.009 N/A GLU 233.A N TYR 205.A O no hydrogen 2.786 N/A HIS 234.A N VAL 237.A O no hydrogen 3.021 N/A HIS 234.A NE2 PRO 201.A O no hydrogen 2.592 N/A VAL 237.A N HIS 234.A O no hydrogen 3.076 N/A MET 239.A N VAL 232.A O no hydrogen 2.750 N/A LEU 241.A N CYS 230.A O no hydrogen 3.096 N/A