Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qwx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLN 32.A O no hydrogen 3.396 N/A LYS 4.A N.A ASP 95.A OD2 no hydrogen 2.799 N/A LYS 4.A N.B ASP 95.A OD2 no hydrogen 2.790 N/A VAL 5.A N THR 35.A O no hydrogen 2.798 N/A LEU 6.A N LEU 96.A O no hydrogen 2.947 N/A ILE 7.A N THR 37.A O no hydrogen 2.822 N/A VAL 8.A N ILE 98.A O no hydrogen 2.815 N/A TYR 9.A N SER 39.A O no hydrogen 2.888 N/A ALA 10.A N GLN 100.A O no hydrogen 2.974 N/A GLN 12.A N GLN 12.A OE1 no hydrogen 2.764 N/A GLN 12.A NE2 TYR 104.A OH no hydrogen 3.098 N/A GLU 13.A N HIS 11.A ND1 no hydrogen 3.034 N/A LYS 15.A N GLU 13.A OE2 no hydrogen 2.884 N/A SER 16.A N GLU 13.A O no hydrogen 2.964 N/A SER 16.A OG GLU 13.A O no hydrogen 2.672 N/A ASN 18.A ND2 THR 147.A OG1 no hydrogen 2.903 N/A GLY 19.A N SER 16.A OG no hydrogen 2.944 N/A SER 20.A N SER 16.A O no hydrogen 2.936 N/A SER 20.A OG SER 16.A O no hydrogen 3.342 N/A LEU 21.A N PHE 17.A O no hydrogen 2.950 N/A LYS 22.A N ASN 18.A O no hydrogen 2.894 N/A LYS 22.A NZ ASN 23.A OD1 no hydrogen 2.750 N/A ASN 23.A N GLY 19.A O no hydrogen 2.883 N/A VAL 24.A N SER 20.A O no hydrogen 2.902 N/A ALA 25.A N LEU 21.A O no hydrogen 3.136 N/A VAL 26.A N LYS 22.A O no hydrogen 2.989 N/A ASP 27.A N ASN 23.A O no hydrogen 2.832 N/A GLU 28.A N VAL 24.A O no hydrogen 2.881 N/A LEU 29.A N ALA 25.A O no hydrogen 2.924 N/A SER 30.A N.A VAL 26.A O no hydrogen 2.868 N/A SER 30.A N.B VAL 26.A O no hydrogen 2.891 N/A SER 30.A OG.B VAL 26.A O no hydrogen 2.725 N/A ARG 31.A N ASP 27.A O no hydrogen 2.918 N/A ARG 31.A NE GLU 28.A OE1 no hydrogen 2.959 N/A ARG 31.A NH2 GLU 28.A OE2 no hydrogen 2.830 N/A GLN 32.A N GLU 28.A O no hydrogen 3.018 N/A GLN 32.A NE2 GLU 28.A OE2 no hydrogen 2.891 N/A GLN 32.A NE2 LEU 211.A O no hydrogen 2.897 N/A GLY 33.A N SER 30.A O.A no hydrogen 2.916 N/A GLY 33.A N SER 30.A O.B no hydrogen 2.853 N/A CYS 34.A N LEU 29.A O no hydrogen 3.064 N/A CYS 34.A SG GLN 32.A OE1 no hydrogen 3.910 N/A THR 35.A N LYS 3.A O no hydrogen 2.927 N/A THR 37.A N VAL 5.A O no hydrogen 2.910 N/A SER 39.A N ILE 7.A O no hydrogen 2.853 N/A SER 39.A OG GLU 87.A OE1 no hydrogen 2.766 N/A LEU 41.A N TYR 9.A O no hydrogen 2.979 N/A ALA 43.A N ASP 40.A OD1 no hydrogen 3.381 N/A MET 44.A N ASP 40.A O no hydrogen 2.967 N/A ASN 45.A N.A TYR 42.A O no hydrogen 3.006 N/A ASN 45.A N.B TYR 42.A O no hydrogen 3.001 N/A PHE 46.A N LEU 41.A O no hydrogen 3.015 N/A ARG 49.A N GLU 47.A OE2 no hydrogen 2.903 N/A ARG 49.A NH1 GLU 47.A OE1 no hydrogen 3.364 N/A ARG 49.A NH1 GLU 47.A OE2 no hydrogen 3.008 N/A THR 51.A N ASP 54.A OD2 no hydrogen 3.473 N/A LYS 53.A N THR 51.A OG1 no hydrogen 3.136 N/A ASP 54.A N THR 51.A O no hydrogen 2.979 N/A ILE 55.A N ASP 52.A O no hydrogen 3.352 N/A THR 56.A N SER 79.A O no hydrogen 2.792 N/A THR 56.A OG1 SER 79.A O no hydrogen 3.167 N/A SER 60.A N GLU 70.A OE1 no hydrogen 2.843 N/A SER 60.A OG GLU 70.A OE1 no hydrogen 2.990 N/A SER 60.A OG GLU 70.A OE2 no hydrogen 3.017 N/A ASN 61.A N GLU 70.A OE2 no hydrogen 2.931 N/A GLU 63.A N ASN 61.A OD1 no hydrogen 3.093 N/A VAL 64.A N ASN 61.A OD1 no hydrogen 3.204 N/A TYR 67.A OH ASP 54.A OD2 no hydrogen 2.641 N/A VAL 69.A N ASN 66.A OD1 no hydrogen 3.009 N/A GLU 70.A N ASN 66.A O no hydrogen 2.905 N/A THR 71.A N TYR 67.A O no hydrogen 2.868 N/A THR 71.A OG1 TYR 67.A O no hydrogen 2.808 N/A THR 71.A OG1 GLY 68.A O no hydrogen 3.296 N/A HIS 72.A N GLY 68.A O no hydrogen 3.037 N/A GLU 73.A N.A VAL 69.A O no hydrogen 3.061 N/A GLU 73.A N.B VAL 69.A O no hydrogen 3.045 N/A ALA 74.A N GLU 70.A O no hydrogen 2.871 N/A TYR 75.A N THR 71.A O no hydrogen 2.829 N/A LYS 76.A N HIS 72.A O no hydrogen 3.163 N/A LYS 76.A NZ GLU 73.A OE2.B no hydrogen 3.105 N/A GLN 77.A N GLU 73.A O.A no hydrogen 2.865 N/A GLN 77.A N GLU 73.A O.B no hydrogen 3.007 N/A GLN 77.A NE2 GLU 73.A OE1.A no hydrogen 3.184 N/A ARG 78.A N TYR 75.A O no hydrogen 3.303 N/A SER 79.A N ALA 74.A O no hydrogen 2.898 N/A ALA 81.A N ASP 54.A O no hydrogen 2.861 N/A ILE 84.A N ALA 81.A O no hydrogen 3.034 N/A THR 85.A N.A ALA 81.A O no hydrogen 3.252 N/A THR 85.A N.B ALA 81.A O no hydrogen 3.307 N/A ASP 86.A N SER 82.A O no hydrogen 2.838 N/A GLU 87.A N ASP 83.A O no hydrogen 3.343 N/A GLN 88.A N ILE 84.A O no hydrogen 2.946 N/A GLN 88.A NE2 VAL 119.A O no hydrogen 2.998 N/A LYS 89.A N THR 85.A O.A no hydrogen 3.031 N/A LYS 89.A N THR 85.A O.B no hydrogen 2.919 N/A LYS 90.A N ASP 86.A O no hydrogen 3.341 N/A LYS 90.A NZ SER 39.A OG no hydrogen 3.130 N/A LYS 90.A NZ GLU 87.A OE2 no hydrogen 2.753 N/A VAL 91.A N GLU 87.A O no hydrogen 2.968 N/A ARG 92.A N GLN 88.A O no hydrogen 2.793 N/A ARG 92.A NH1 TYR 75.A OH no hydrogen 3.140 N/A GLU 93.A N LYS 89.A O no hydrogen 3.037 N/A ALA 94.A N LYS 90.A O no hydrogen 3.129 N/A ALA 94.A N VAL 91.A O no hydrogen 3.159 N/A ASP 95.A N LYS 4.A O.A no hydrogen 2.635 N/A ASP 95.A N LYS 4.A O.B no hydrogen 2.832 N/A LEU 96.A N LYS 4.A O.A no hydrogen 3.250 N/A LEU 96.A N LYS 4.A O.B no hydrogen 3.240 N/A VAL 97.A N LEU 141.A O no hydrogen 2.884 N/A ILE 98.A N LEU 6.A O no hydrogen 2.836 N/A PHE 99.A N LEU 143.A O no hydrogen 2.873 N/A GLN 100.A N VAL 8.A O no hydrogen 2.911 N/A GLN 100.A NE2 ASN 18.A OD1 no hydrogen 2.880 N/A PHE 101.A N SER 145.A O no hydrogen 3.044 N/A LEU 103.A N THR 147.A O no hydrogen 2.851 N/A TYR 104.A N SER 107.A O no hydrogen 2.923 N/A SER 107.A N TYR 104.A O no hydrogen 3.036 N/A VAL 108.A N SER 107.A OG no hydrogen 2.702 N/A LEU 112.A N PRO 109.A O no hydrogen 2.902 N/A LYS 113.A N PRO 109.A O no hydrogen 2.941 N/A LYS 113.A NZ ASP 117.A OD1 no hydrogen 2.776 N/A GLY 114.A N ALA 110.A O no hydrogen 2.870 N/A TRP 115.A N ILE 111.A O no hydrogen 3.225 N/A TRP 115.A NE1 GLU 87.A OE1 no hydrogen 2.858 N/A MET 116.A N.A LEU 112.A O no hydrogen 2.979 N/A MET 116.A N.B LEU 112.A O no hydrogen 3.000 N/A ASP 117.A N LYS 113.A O no hydrogen 2.825 N/A ARG 118.A N GLY 114.A O no hydrogen 2.905 N/A ARG 118.A NE ASP 54.A OD1 no hydrogen 3.448 N/A ARG 118.A NE ASP 54.A OD2 no hydrogen 3.027 N/A ARG 118.A NH1 ASP 83.A OD2 no hydrogen 2.963 N/A ARG 118.A NH2 ASP 54.A OD1 no hydrogen 2.830 N/A ARG 118.A NH2 ASP 83.A OD1 no hydrogen 3.115 N/A ARG 118.A NH2 ASP 83.A OD2 no hydrogen 3.116 N/A VAL 119.A N TRP 115.A O no hydrogen 2.843 N/A LEU 120.A N MET 116.A O.A no hydrogen 3.157 N/A LEU 120.A N MET 116.A O.B no hydrogen 3.272 N/A CYS 121.A N VAL 119.A O no hydrogen 2.885 N/A CYS 121.A SG GLN 122.A O no hydrogen 3.547 N/A GLN 122.A NE2 ASP 127.A OD1 no hydrogen 3.132 N/A GLY 123.A N PHE 126.A O no hydrogen 2.775 N/A PHE 124.A N CYS 121.A O no hydrogen 3.058 N/A ALA 125.A N CYS 121.A O no hydrogen 2.959 N/A ASP 127.A N GLY 130.A O no hydrogen 2.903 N/A ILE 128.A N ASP 127.A OD1 no hydrogen 2.921 N/A PHE 131.A N SER 134.A OG no hydrogen 3.133 N/A TYR 132.A N PHE 178.A O no hydrogen 2.758 N/A SER 134.A N PHE 131.A O no hydrogen 2.994 N/A SER 134.A OG PHE 131.A O no hydrogen 2.966 N/A GLY 135.A N TYR 132.A O no hydrogen 2.830 N/A LEU 136.A N ALA 125.A O no hydrogen 3.026 N/A LEU 137.A N CYS 179.A O no hydrogen 2.809 N/A GLN 138.A N GLY 135.A O no hydrogen 3.276 N/A GLN 138.A NE2 GLY 135.A O no hydrogen 2.971 N/A LYS 140.A N LEU 137.A O no hydrogen 3.151 N/A LYS 140.A NZ VAL 91.A O no hydrogen 3.181 N/A LYS 140.A NZ ARG 92.A O no hydrogen 2.867 N/A LYS 140.A NZ ALA 94.A O no hydrogen 2.802 N/A LEU 141.A N ASP 95.A O no hydrogen 2.946 N/A ALA 142.A N LYS 182.A O.A no hydrogen 2.963 N/A ALA 142.A N LYS 182.A O.B no hydrogen 2.950 N/A LEU 143.A N VAL 97.A O no hydrogen 2.914 N/A SER 145.A N PHE 99.A O no hydrogen 2.762 N/A SER 145.A OG GLN 100.A OE1 no hydrogen 2.688 N/A VAL 146.A N GLN 187.A O no hydrogen 2.822 N/A THR 147.A N PHE 101.A O no hydrogen 3.111 N/A THR 148.A N SER 189.A O no hydrogen 3.229 N/A THR 148.A OG1 GLY 150.A O no hydrogen 2.576 N/A MET 154.A N THR 151.A OG1 no hydrogen 3.373 N/A TYR 155.A N THR 151.A O no hydrogen 3.230 N/A TYR 155.A N ALA 152.A O no hydrogen 2.946 N/A THR 156.A OG1 GLU 153.A O no hydrogen 2.837 N/A THR 156.A OG1 GLU 153.A OE1 no hydrogen 3.423 N/A GLY 159.A N THR 156.A O no hydrogen 2.849 N/A ASN 161.A N MET 154.A O no hydrogen 3.002 N/A GLY 162.A N GLY 159.A O no hydrogen 3.241 N/A SER 164.A N TYR 155.A O no hydrogen 3.262 N/A ARG 165.A N ASP 163.A OD2 no hydrogen 3.129 N/A ARG 165.A NH1 TRP 226.A O no hydrogen 2.908 N/A TYR 166.A N ASP 163.A O no hydrogen 2.955 N/A LEU 168.A N ARG 165.A O no hydrogen 3.168 N/A TRP 169.A N TYR 166.A O no hydrogen 3.337 N/A GLN 172.A N LEU 168.A O no hydrogen 2.771 N/A GLN 172.A NE2 HIS 227.A NE2 no hydrogen 3.063 N/A HIS 173.A N TRP 169.A O no hydrogen 2.890 N/A GLY 174.A N TRP 169.A O no hydrogen 3.071 N/A THR 175.A OG1 PRO 170.A O no hydrogen 2.915 N/A LEU 176.A N LEU 171.A O no hydrogen 2.947 N/A HIS 177.A N GLN 172.A O no hydrogen 2.798 N/A HIS 177.A NE2 ASP 133.A OD1 no hydrogen 2.928 N/A PHE 178.A N HIS 173.A O no hydrogen 3.103 N/A CYS 179.A N THR 175.A O no hydrogen 3.098 N/A CYS 179.A N LEU 176.A O no hydrogen 3.075 N/A CYS 179.A SG THR 175.A O no hydrogen 3.382 N/A GLY 180.A N HIS 177.A O no hydrogen 2.821 N/A PHE 181.A N LEU 176.A O no hydrogen 3.111 N/A LYS 182.A N.A LYS 140.A O no hydrogen 2.969 N/A LYS 182.A N.B LYS 140.A O no hydrogen 2.947 N/A LEU 184.A N ALA 142.A O no hydrogen 2.896 N/A GLN 187.A N LEU 144.A O no hydrogen 2.850 N/A SER 189.A N VAL 146.A O no hydrogen 2.869 N/A ALA 191.A N THR 148.A OG1 no hydrogen 3.176 N/A ILE 194.A N ALA 191.A O no hydrogen 3.185 N/A ALA 195.A N ALA 191.A O no hydrogen 3.084 N/A SER 196.A N GLU 199.A OE1 no hydrogen 2.508 N/A SER 196.A OG GLU 198.A OE1 no hydrogen 2.974 N/A SER 196.A OG GLU 199.A OE1 no hydrogen 3.181 N/A GLU 199.A N SER 196.A OG no hydrogen 3.305 N/A ARG 200.A N SER 196.A O no hydrogen 2.946 N/A ARG 200.A NE SER 196.A O no hydrogen 2.881 N/A LYS 201.A N GLU 197.A O no hydrogen 2.800 N/A GLY 202.A N GLU 198.A O no hydrogen 2.757 N/A MET 203.A N GLU 199.A O no hydrogen 2.849 N/A VAL 204.A N ARG 200.A O no hydrogen 3.017 N/A ALA 205.A N LYS 201.A O no hydrogen 2.955 N/A ALA 206.A N GLY 202.A O no hydrogen 2.914 N/A TRP 207.A N MET 203.A O no hydrogen 3.228 N/A TRP 207.A NE1 LEU 21.A O no hydrogen 3.164 N/A SER 208.A N VAL 204.A O no hydrogen 2.993 N/A GLN 209.A N ALA 205.A O no hydrogen 2.804 N/A GLN 209.A NE2 GLN 212.A OE1 no hydrogen 3.172 N/A ARG 210.A N ALA 206.A O no hydrogen 2.901 N/A ARG 210.A NE GLU 217.A OE2 no hydrogen 2.780 N/A ARG 210.A NH1 ALA 185.A O no hydrogen 2.930 N/A ARG 210.A NH1 GLN 187.A OE1 no hydrogen 2.962 N/A ARG 210.A NH2 ALA 185.A O no hydrogen 2.668 N/A ARG 210.A NH2 GLU 217.A OE1 no hydrogen 2.829 N/A LEU 211.A N TRP 207.A O no hydrogen 2.930 N/A GLN 212.A N SER 208.A O no hydrogen 3.291 N/A GLN 212.A N GLN 209.A O no hydrogen 3.147 N/A THR 213.A N ARG 210.A O no hydrogen 3.119 N/A THR 213.A OG1 ARG 210.A O no hydrogen 3.537 N/A ILE 214.A N LEU 211.A O no hydrogen 3.179 N/A LYS 216.A N THR 213.A O no hydrogen 2.996 N/A GLU 217.A N ILE 214.A O no hydrogen 3.238 N/A ILE 220.A N VAL 183.A O no hydrogen 2.751 N/A CYS 222.A SG HIS 173.A ND1 no hydrogen 3.882 N/A CYS 222.A SG HIS 177.A ND1 no hydrogen 3.681 N/A THR 223.A N PRO 221.A O no hydrogen 2.823 N/A THR 223.A OG1 PRO 221.A O no hydrogen 3.477 N/A TRP 226.A N THR 223.A OG1 no hydrogen 3.203 N/A HIS 227.A N THR 223.A O no hydrogen 3.212 N/A HIS 227.A ND1 THR 223.A O no hydrogen 2.895 N/A PHE 228.A N ALA 224.A O no hydrogen 2.760 N/A GLY 229.A N HIS 225.A O no hydrogen 2.745 N/A