Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kqq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N ALA 1.A O no hydrogen 3.064 N/A TYR 4.A OH ALA 163.A O no hydrogen 2.684 N/A TYR 4.A OH TYR 199.A OH no hydrogen 2.887 N/A GLN 5.A N SER 2.A O no hydrogen 2.886 N/A ARG 6.A N ALA 3.A O no hydrogen 3.120 N/A PHE 7.A N TYR 4.A O no hydrogen 3.329 N/A GLU 8.A N ALA 201.A O no hydrogen 3.062 N/A ARG 10.A NH1 GLU 86.A OE2 no hydrogen 2.934 N/A ARG 10.A NH1 GLY 96.A O no hydrogen 3.034 N/A TYR 12.A N GLU 8.A O no hydrogen 2.899 N/A LEU 13.A N PRO 9.A O no hydrogen 2.857 N/A ARG 14.A N ARG 10.A O no hydrogen 2.793 N/A ASN 15.A N ALA 11.A O no hydrogen 2.933 N/A ASN 15.A ND2 LEU 200.A O no hydrogen 2.937 N/A ASN 16.A N TYR 12.A O no hydrogen 3.111 N/A ASN 16.A ND2 TYR 12.A O no hydrogen 3.099 N/A TYR 17.A N LEU 13.A O no hydrogen 2.730 N/A TYR 17.A OH TYR 62.A OH no hydrogen 2.989 N/A ARG 21.A NE LEU 239.A O no hydrogen 2.938 N/A ARG 21.A NH1 ASN 16.A OD1 no hydrogen 3.502 N/A ARG 21.A NH1 ASP 244.A OD2 no hydrogen 2.918 N/A ARG 21.A NH2 LEU 239.A O no hydrogen 2.766 N/A ARG 21.A NH2 ASP 244.A OD1 no hydrogen 3.179 N/A GLY 22.A N ALA 18.A O no hydrogen 2.876 N/A ASP 23.A N PRO 20.A O no hydrogen 3.227 N/A CYS 25.A N ASP 23.A OD2 no hydrogen 3.225 N/A ASN 28.A N ASN 26.A OD1 no hydrogen 2.949 N/A GLY 29.A N ASN 26.A O no hydrogen 3.249 N/A TRP 33.A N GLY 29.A O no hydrogen 3.164 N/A LYS 34.A N VAL 30.A O no hydrogen 2.880 N/A LYS 34.A NZ TYR 62.A OH no hydrogen 3.246 N/A LEU 35.A N GLY 31.A O no hydrogen 3.050 N/A ARG 36.A N PRO 32.A O no hydrogen 2.787 N/A ARG 36.A NH1 PRO 27.A O no hydrogen 3.458 N/A ARG 36.A NH2 PRO 27.A O no hydrogen 2.595 N/A CYS 37.A N TRP 33.A O no hydrogen 2.979 N/A CYS 37.A SG TRP 33.A O no hydrogen 3.505 N/A LEU 38.A N LYS 34.A O no hydrogen 2.997 N/A ALA 39.A N LEU 35.A O no hydrogen 2.931 N/A GLN 40.A N ARG 36.A O no hydrogen 2.850 N/A THR 41.A N CYS 37.A O no hydrogen 3.191 N/A THR 41.A OG1 CYS 37.A O no hydrogen 2.806 N/A PHE 42.A N LEU 38.A O no hydrogen 3.224 N/A ALA 43.A N ALA 39.A O no hydrogen 2.979 N/A ALA 43.A N GLN 40.A O no hydrogen 3.112 N/A THR 44.A N THR 41.A O no hydrogen 3.297 N/A THR 44.A OG1 THR 41.A O no hydrogen 2.752 N/A GLY 45.A N PHE 42.A O no hydrogen 3.275 N/A GLU 46.A N THR 44.A OG1 no hydrogen 3.042 N/A ARG 50.A N ASP 153.A OD1 no hydrogen 2.626 N/A THR 51.A N ASP 153.A OD1 no hydrogen 2.966 N/A LEU 52.A N ASP 73.A O no hydrogen 2.970 N/A ILE 53.A N ALA 154.A O no hydrogen 3.178 N/A ASP 54.A N THR 75.A O no hydrogen 2.912 N/A ILE 55.A N VAL 156.A O no hydrogen 2.727 N/A GLY 56.A N THR 77.A OG1 no hydrogen 3.014 N/A SER 57.A N THR 77.A O no hydrogen 2.527 N/A SER 57.A OG ASP 54.A O no hydrogen 3.312 N/A SER 57.A OG ASP 54.A OD2 no hydrogen 2.663 N/A SER 57.A OG THR 77.A O no hydrogen 3.071 N/A GLY 58.A N ASP 78.A OD1 no hydrogen 3.081 N/A THR 60.A N SER 57.A O no hydrogen 3.185 N/A THR 60.A OG1 SER 57.A O no hydrogen 3.265 N/A THR 60.A OG1 GLN 63.A OE1 no hydrogen 2.939 N/A TYR 62.A OH TYR 17.A OH no hydrogen 2.989 N/A GLN 63.A N GLN 63.A OE1 no hydrogen 2.641 N/A GLN 63.A NE2 ASP 54.A OD2 no hydrogen 2.825 N/A GLN 63.A NE2 SER 57.A O no hydrogen 3.476 N/A GLN 63.A NE2 THR 60.A O no hydrogen 3.220 N/A LEU 64.A N VAL 61.A O no hydrogen 2.980 N/A LEU 65.A N TYR 62.A O no hydrogen 3.352 N/A SER 66.A OG GLU 111.A OE2 no hydrogen 2.732 N/A CYS 68.A N LEU 64.A O no hydrogen 2.856 N/A CYS 68.A SG LEU 65.A O no hydrogen 3.144 N/A CYS 68.A SG LYS 120.A O no hydrogen 3.967 N/A CYS 68.A SG GLN 123.A OE1 no hydrogen 3.876 N/A SER 69.A OG SER 66.A O no hydrogen 3.516 N/A HIS 70.A N ALA 67.A O no hydrogen 2.959 N/A ASP 73.A N ARG 50.A O no hydrogen 2.933 N/A ILE 74.A N ARG 127.A O no hydrogen 2.724 N/A THR 75.A N LEU 52.A O no hydrogen 2.908 N/A MET 76.A N ARG 130.A O no hydrogen 2.933 N/A THR 77.A N SER 57.A OG no hydrogen 3.219 N/A THR 77.A OG1 ASP 54.A O no hydrogen 2.612 N/A ASP 78.A N LEU 132.A O no hydrogen 3.056 N/A LEU 80.A N ASP 78.A OD2 no hydrogen 3.050 N/A ARG 84.A N LEU 80.A O no hydrogen 3.265 N/A ARG 84.A NH1 ASP 78.A O no hydrogen 2.860 N/A ARG 84.A NH2 GLU 81.A OE2 no hydrogen 3.372 N/A GLN 85.A N GLU 81.A O no hydrogen 2.780 N/A GLU 86.A N VAL 82.A O no hydrogen 2.857 N/A LEU 87.A N ASN 83.A O no hydrogen 2.880 N/A GLY 88.A N ARG 84.A O no hydrogen 3.015 N/A ARG 89.A N GLN 85.A O no hydrogen 3.143 N/A ARG 89.A NE GLU 86.A OE2 no hydrogen 3.323 N/A ARG 89.A NH2 GLU 86.A OE1 no hydrogen 2.917 N/A LEU 91.A N LEU 87.A O no hydrogen 2.845 N/A GLN 92.A N GLY 88.A O no hydrogen 2.814 N/A GLU 93.A N TRP 90.A O no hydrogen 3.075 N/A GLU 94.A N ARG 89.A O no hydrogen 2.784 N/A SER 101.A N ASN 99.A OD1 no hydrogen 2.974 N/A SER 101.A OG ASN 99.A OD1 no hydrogen 2.943 N/A TYR 103.A N TRP 100.A O no hydrogen 2.748 N/A TYR 103.A OH TYR 17.A O no hydrogen 3.072 N/A SER 104.A N TRP 100.A O no hydrogen 3.101 N/A SER 104.A OG TRP 100.A O no hydrogen 3.323 N/A SER 104.A OG GLU 121.A OE2 no hydrogen 2.687 N/A GLN 105.A N SER 101.A O no hydrogen 2.879 N/A HIS 106.A N MET 102.A O no hydrogen 3.050 N/A ALA 107.A N TYR 103.A O no hydrogen 2.873 N/A CYS 108.A N SER 104.A O no hydrogen 2.925 N/A CYS 108.A SG SER 104.A O no hydrogen 3.425 N/A CYS 108.A SG GLU 115.A O no hydrogen 3.265 N/A LEU 109.A N GLN 105.A O no hydrogen 2.862 N/A ILE 110.A N HIS 106.A O no hydrogen 2.771 N/A GLU 111.A N ALA 107.A O no hydrogen 2.934 N/A GLY 112.A N CYS 108.A O no hydrogen 3.162 N/A CYS 116.A SG GLN 118.A OE1 no hydrogen 3.540 N/A GLN 118.A N GLN 118.A OE1 no hydrogen 2.694 N/A ASP 119.A N CYS 116.A O no hydrogen 3.109 N/A LYS 120.A N CYS 116.A O no hydrogen 3.236 N/A LYS 120.A NZ LEU 65.A O no hydrogen 3.156 N/A LYS 120.A NZ GLU 111.A OE1 no hydrogen 2.721 N/A LYS 120.A NZ GLU 111.A OE2 no hydrogen 3.026 N/A LYS 120.A NZ GLU 115.A OE1 no hydrogen 3.322 N/A GLU 121.A N TRP 117.A O no hydrogen 3.030 N/A ARG 122.A N GLN 118.A O no hydrogen 2.970 N/A ARG 122.A NH2 ASP 119.A OD1 no hydrogen 2.815 N/A GLN 123.A N ASP 119.A O no hydrogen 2.969 N/A LEU 124.A N LYS 120.A O no hydrogen 3.142 N/A ARG 125.A N GLU 121.A O no hydrogen 2.878 N/A ARG 125.A NE TRP 90.A O no hydrogen 2.814 N/A ARG 125.A NH1 GLU 121.A OE1 no hydrogen 3.420 N/A ARG 125.A NH2 TRP 90.A O no hydrogen 3.216 N/A ALA 126.A N ARG 122.A O no hydrogen 2.981 N/A ARG 127.A N GLN 123.A O no hydrogen 2.838 N/A ARG 127.A N LEU 124.A O no hydrogen 3.135 N/A ARG 127.A NH1 CYS 68.A O no hydrogen 3.135 N/A VAL 128.A N LEU 124.A O no hydrogen 3.037 N/A LYS 129.A N ILE 74.A O no hydrogen 2.886 N/A LYS 129.A NZ ALA 126.A O no hydrogen 2.983 N/A ARG 130.A NH1 ASP 73.A OD2 no hydrogen 2.647 N/A ARG 130.A NH2 ASP 73.A OD1 no hydrogen 2.741 N/A ARG 130.A NH2 ASP 73.A OD2 no hydrogen 3.047 N/A LEU 132.A N MET 76.A O no hydrogen 2.778 N/A ASP 135.A N PRO 141.A O no hydrogen 2.940 N/A HIS 137.A N ASP 135.A OD1 no hydrogen 2.652 N/A GLN 138.A N ASP 135.A O no hydrogen 2.991 N/A GLN 138.A NE2 ASP 135.A OD2 no hydrogen 3.232 N/A GLY 143.A N GLN 140.A O no hydrogen 2.896 N/A ALA 152.A N LEU 181.A O no hydrogen 2.938 N/A ASP 153.A N THR 51.A O no hydrogen 3.019 N/A ASP 153.A N THR 51.A OG1 no hydrogen 3.381 N/A LEU 155.A N HIS 187.A O no hydrogen 2.549 N/A VAL 156.A N ILE 53.A O no hydrogen 2.933 N/A SER 157.A N LEU 189.A O no hydrogen 3.026 N/A SER 157.A OG ILE 55.A O no hydrogen 2.894 N/A PHE 159.A N ILE 191.A O no hydrogen 2.678 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 2.789 N/A ALA 163.A N CYS 160.A O no hydrogen 2.817 N/A VAL 164.A N LEU 161.A O no hydrogen 2.948 N/A SER 165.A OG LEU 161.A O no hydrogen 3.191 N/A SER 170.A N ASP 167.A OD1 no hydrogen 2.800 N/A PHE 171.A N ASP 167.A O no hydrogen 3.056 N/A GLN 172.A N LEU 168.A O no hydrogen 2.869 N/A ARG 173.A N ALA 169.A O no hydrogen 2.923 N/A ALA 174.A N SER 170.A O no hydrogen 2.809 N/A LEU 175.A N PHE 171.A O no hydrogen 3.013 N/A ASP 176.A N GLN 172.A O no hydrogen 3.037 N/A HIS 177.A N ARG 173.A O no hydrogen 2.661 N/A HIS 177.A ND1 VAL 136.A O no hydrogen 2.592 N/A ILE 178.A N ALA 174.A O no hydrogen 2.928 N/A THR 179.A N LEU 175.A O no hydrogen 2.964 N/A THR 179.A OG1 LEU 175.A O no hydrogen 2.385 N/A THR 179.A OG1 TYR 225.A OH no hydrogen 2.899 N/A THR 180.A OG1 HIS 177.A O no hydrogen 2.808 N/A LEU 181.A N ILE 178.A O no hydrogen 2.890 N/A LEU 182.A N THR 179.A O no hydrogen 2.903 N/A ARG 183.A N ALA 152.A O no hydrogen 3.081 N/A ARG 183.A NE PRO 184.A O no hydrogen 2.663 N/A ARG 183.A NH1 ASP 153.A OD2 no hydrogen 3.229 N/A GLY 185.A N LYS 256.A O no hydrogen 2.948 N/A GLY 186.A N ARG 183.A O no hydrogen 2.943 N/A HIS 187.A N ASP 153.A O no hydrogen 3.350 N/A LEU 188.A N ALA 254.A O no hydrogen 2.859 N/A LEU 189.A N LEU 155.A O no hydrogen 2.835 N/A LEU 190.A N ALA 252.A O no hydrogen 2.937 N/A ILE 191.A N SER 157.A O no hydrogen 2.839 N/A GLY 192.A N PHE 250.A O no hydrogen 3.337 N/A ALA 193.A N GLU 162.A OE2 no hydrogen 3.080 N/A LEU 194.A N GLY 248.A O no hydrogen 2.688 N/A GLU 195.A N VAL 211.A O no hydrogen 2.890 N/A SER 197.A N ASP 245.A OD2 no hydrogen 2.776 N/A SER 197.A OG ASP 245.A OD1 no hydrogen 2.762 N/A TRP 198.A N ASP 245.A OD2 no hydrogen 3.192 N/A TYR 199.A N LEU 206.A O no hydrogen 3.151 N/A TYR 199.A OH TYR 4.A OH no hydrogen 2.887 N/A LEU 200.A N VAL 243.A O no hydrogen 2.767 N/A ALA 201.A N ALA 204.A O no hydrogen 2.890 N/A GLU 203.A N GLU 8.A OE2 no hydrogen 2.602 N/A ALA 204.A N ALA 201.A O no hydrogen 3.403 N/A LEU 206.A N TYR 199.A O no hydrogen 2.990 N/A VAL 208.A N SER 197.A O no hydrogen 2.566 N/A VAL 209.A N GLU 162.A O no hydrogen 3.102 N/A SER 212.A N GLU 215.A OE2 no hydrogen 3.060 N/A GLU 215.A N SER 212.A OG no hydrogen 2.846 N/A VAL 216.A N SER 212.A O no hydrogen 2.886 N/A ARG 217.A N GLU 213.A O no hydrogen 2.832 N/A ARG 217.A NE GLU 214.A OE2 no hydrogen 3.418 N/A GLU 218.A N GLU 214.A O no hydrogen 2.957 N/A ALA 219.A N GLU 215.A O no hydrogen 3.027 N/A LEU 220.A N VAL 216.A O no hydrogen 3.154 N/A VAL 221.A N ARG 217.A O no hydrogen 3.111 N/A ARG 222.A N GLU 218.A O no hydrogen 2.868 N/A SER 223.A N LEU 220.A O no hydrogen 3.280 N/A SER 223.A OG GLN 172.A OE1 no hydrogen 2.904 N/A SER 223.A OG ASP 176.A OD1 no hydrogen 2.532 N/A SER 223.A OG ALA 219.A O no hydrogen 3.112 N/A GLY 224.A N VAL 221.A O no hydrogen 2.726 N/A TYR 225.A N LEU 220.A O no hydrogen 2.978 N/A TYR 225.A OH THR 179.A OG1 no hydrogen 2.899 N/A LYS 226.A N GLN 255.A O no hydrogen 2.855 N/A ARG 228.A N TRP 253.A O no hydrogen 2.778 N/A ARG 228.A NH1 GLN 255.A OE1 no hydrogen 3.347 N/A ARG 228.A NH2 GLU 46.A OE1 no hydrogen 3.148 N/A ASP 229.A N TRP 253.A O no hydrogen 3.084 N/A ARG 231.A N PHE 251.A O no hydrogen 2.907 N/A ARG 231.A NE ASP 229.A OD2 no hydrogen 2.636 N/A ARG 231.A NH1 GLN 40.A OE1 no hydrogen 2.374 N/A ARG 231.A NH2 GLN 40.A OE1 no hydrogen 3.151 N/A THR 232.A OG1 GLU 213.A OE2 no hydrogen 3.009 N/A TYR 233.A N VAL 249.A O no hydrogen 2.729 N/A TYR 233.A OH ASN 28.A O no hydrogen 2.825 N/A MET 235.A N LYS 247.A O no hydrogen 2.866 N/A LEU 239.A N PRO 236.A O no hydrogen 3.097 N/A GLN 240.A N ALA 237.A O no hydrogen 2.670 N/A GLN 240.A NE2 MET 235.A O no hydrogen 3.223 N/A ASP 245.A N TRP 198.A O no hydrogen 3.328 N/A VAL 246.A N ASP 244.A OD1 no hydrogen 3.249 N/A LYS 247.A N LEU 194.A O no hydrogen 3.007 N/A LYS 247.A NZ GLU 195.A O no hydrogen 3.230 N/A LYS 247.A NZ ASP 245.A O no hydrogen 3.065 N/A VAL 249.A N TYR 233.A O no hydrogen 2.794 N/A PHE 250.A N GLY 192.A O no hydrogen 2.912 N/A PHE 251.A N ARG 231.A O no hydrogen 2.761 N/A ALA 252.A N LEU 190.A O no hydrogen 2.803 N/A TRP 253.A N ASP 229.A O no hydrogen 2.684 N/A TRP 253.A NE1 HIS 187.A ND1 no hydrogen 3.234 N/A ALA 254.A N LEU 188.A O no hydrogen 2.906 N/A GLN 255.A N LYS 226.A O no hydrogen 2.991 N/A GLN 255.A NE2 GLY 185.A O no hydrogen 3.036 N/A LYS 256.A N GLY 186.A O no hydrogen 3.096 N/A LYS 256.A NZ THR 179.A O no hydrogen 2.868 N/A LYS 256.A NZ LEU 182.A O no hydrogen 2.757 N/A VAL 257.A N GLY 224.A O no hydrogen 2.976 N/A