Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3quy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N CYS 99.A O no hydrogen 3.013 N/A ARG 6.A N TRP 26.A O no hydrogen 2.835 N/A CYS 7.A N ALA 97.A O no hydrogen 2.709 N/A LEU 8.A N VAL 24.A O no hydrogen 2.861 N/A GLN 9.A N LEU 95.A O no hydrogen 2.775 N/A GLN 9.A NE2 SER 11.A OG no hydrogen 2.883 N/A MET 10.A N ASP 22.A O no hydrogen 2.797 N/A SER 11.A N ILE 93.A O no hydrogen 2.780 N/A SER 11.A OG THR 21.A OG1 no hydrogen 2.807 N/A SER 12.A N ARG 20.A O no hydrogen 2.877 N/A SER 12.A OG GLU 92.A OE1.A no hydrogen 2.470 N/A SER 12.A OG GLU 92.A OE1.B no hydrogen 2.554 N/A PHE 13.A N ILE 91.A O no hydrogen 2.737 N/A ALA 14.A N TRP 18.A O no hydrogen 3.295 N/A SER 17.A N ASN 15.A OD1 no hydrogen 3.237 N/A SER 17.A OG ASN 15.A OD1 no hydrogen 3.445 N/A TRP 18.A N ASN 15.A OD1 no hydrogen 3.101 N/A ARG 20.A N SER 12.A O no hydrogen 2.923 N/A ARG 20.A NE ASP 22.A OD2 no hydrogen 2.809 N/A ARG 20.A NH2 ASP 22.A OD1 no hydrogen 3.012 N/A ARG 20.A NH2 ASP 22.A OD2 no hydrogen 3.518 N/A THR 21.A N ASN 37.A OD1 no hydrogen 2.828 N/A THR 21.A OG1 SER 11.A OG no hydrogen 2.807 N/A ASP 22.A N MET 10.A O no hydrogen 2.910 N/A SER 23.A N TRP 35.A O no hydrogen 2.896 N/A VAL 24.A N LEU 8.A O no hydrogen 3.038 N/A VAL 25.A N HIS 33.A O no hydrogen 3.001 N/A TRP 26.A N ARG 6.A O no hydrogen 2.766 N/A LEU 27.A N LEU 30.A O no hydrogen 2.837 N/A GLY 28.A N THR 4.A O no hydrogen 2.796 N/A LEU 30.A N LEU 27.A O no hydrogen 3.135 N/A GLN 31.A N GLU 232.A OE1 no hydrogen 3.217 N/A GLN 31.A NE2 HIS 33.A O no hydrogen 3.012 N/A THR 32.A N VAL 25.A O no hydrogen 2.811 N/A THR 32.A OG1 VAL 25.A O no hydrogen 3.367 N/A THR 32.A OG1 HIS 33.A ND1 no hydrogen 2.777 N/A HIS 33.A N VAL 25.A O no hydrogen 3.491 N/A HIS 33.A ND1 THR 32.A OG1 no hydrogen 2.777 N/A HIS 33.A NE2 SER 49.A O no hydrogen 2.720 N/A ARG 34.A N SER 43.A O no hydrogen 2.944 N/A TRP 35.A N SER 23.A O no hydrogen 2.709 N/A TRP 35.A NE1 SER 39.A O no hydrogen 2.981 N/A SER 36.A OG ASP 38.A OD2 no hydrogen 3.423 N/A ASN 37.A N ASP 22.A OD1 no hydrogen 2.784 N/A ASP 38.A N SER 36.A OG no hydrogen 3.208 N/A SER 39.A N SER 36.A O no hydrogen 3.019 N/A SER 39.A OG THR 41.A O no hydrogen 2.566 N/A THR 41.A N SER 39.A OG no hydrogen 3.173 N/A ILE 42.A N GLN 62.A OE1 no hydrogen 2.863 N/A SER 43.A N ARG 34.A O no hydrogen 2.794 N/A THR 45.A N THR 32.A O no hydrogen 2.969 N/A LYS 46.A N SER 49.A OG no hydrogen 2.964 N/A LYS 46.A NZ GLN 31.A O no hydrogen 2.807 N/A LYS 46.A NZ GLU 232.A OE2 no hydrogen 2.643 N/A TRP 48.A NE1 ASP 177.A OD2 no hydrogen 2.892 N/A SER 49.A N LYS 46.A O no hydrogen 3.360 N/A SER 49.A OG THR 32.A O no hydrogen 2.477 N/A SER 49.A OG LYS 46.A O no hydrogen 3.211 N/A GLN 50.A NE2 LEU 53.A O no hydrogen 2.580 N/A GLN 50.A NE2 ASN 55.A OD1 no hydrogen 3.202 N/A GLY 51.A N TRP 48.A O no hydrogen 2.793 N/A LEU 53.A N GLN 50.A O no hydrogen 3.238 N/A SER 54.A N GLN 57.A OE1 no hydrogen 2.690 N/A SER 54.A OG GLN 57.A OE1 no hydrogen 3.022 N/A GLN 57.A N SER 54.A OG no hydrogen 3.165 N/A TRP 58.A N SER 54.A O no hydrogen 2.884 N/A GLU 59.A N ASN 55.A O no hydrogen 2.868 N/A LYS 60.A N GLN 56.A O no hydrogen 3.064 N/A LEU 61.A N GLN 57.A O no hydrogen 2.968 N/A GLN 62.A N TRP 58.A O no hydrogen 2.757 N/A HIS 63.A N GLU 59.A O no hydrogen 2.911 N/A MET 64.A N LYS 60.A O no hydrogen 3.164 N/A PHE 65.A N LEU 61.A O no hydrogen 3.139 N/A GLN 66.A N GLN 62.A O no hydrogen 2.747 N/A GLN 66.A NE2 ALA 40.A O no hydrogen 2.766 N/A VAL 67.A N HIS 63.A O no hydrogen 3.058 N/A TYR 68.A N MET 64.A O no hydrogen 2.896 N/A TYR 68.A OH GLN 9.A OE1 no hydrogen 2.566 N/A ARG 69.A N PHE 65.A O no hydrogen 2.859 N/A ARG 69.A NH1 SER 36.A O no hydrogen 2.996 N/A ARG 69.A NH1 SER 39.A O no hydrogen 3.143 N/A ARG 69.A NH2 SER 39.A O no hydrogen 2.925 N/A SER 71.A N VAL 67.A O no hydrogen 2.961 N/A SER 71.A OG VAL 67.A O no hydrogen 2.672 N/A PHE 72.A N TYR 68.A O no hydrogen 2.731 N/A THR 73.A N ARG 69.A O no hydrogen 3.268 N/A THR 73.A OG1 ARG 69.A O no hydrogen 2.763 N/A ARG 74.A N VAL 70.A O no hydrogen 3.247 N/A ASP 75.A N SER 71.A O no hydrogen 2.791 N/A ILE 76.A N PHE 72.A O no hydrogen 2.910 N/A GLN 77.A N THR 73.A O no hydrogen 3.222 N/A GLU 78.A N ARG 74.A O no hydrogen 2.880 N/A LEU 79.A N ASP 75.A O no hydrogen 2.715 N/A VAL 80.A N ILE 76.A O no hydrogen 2.853 N/A LYS 81.A N GLN 77.A O no hydrogen 3.253 N/A LYS 81.A NZ GLU 78.A OE1 no hydrogen 2.717 N/A MET 82.A N GLU 78.A O no hydrogen 2.878 N/A MET 83.A N LEU 79.A O no hydrogen 3.018 N/A MET 83.A N VAL 80.A O no hydrogen 3.083 N/A SER 84.A OG LYS 81.A O no hydrogen 3.379 N/A LYS 86.A N MET 83.A O no hydrogen 3.123 N/A ILE 91.A N PHE 13.A O no hydrogen 2.691 N/A GLU 92.A N.A GLN 116.A OE1 no hydrogen 2.844 N/A GLU 92.A N.B GLN 116.A OE1 no hydrogen 2.839 N/A ILE 93.A N SER 11.A O no hydrogen 2.832 N/A GLN 94.A N ALA 114.A O no hydrogen 2.994 N/A LEU 95.A N GLN 9.A O no hydrogen 2.885 N/A SER 96.A N HIS 112.A O no hydrogen 2.852 N/A ALA 97.A N CYS 7.A O no hydrogen 2.996 N/A GLY 98.A N PHE 110.A O no hydrogen 2.961 N/A CYS 99.A N PHE 5.A O no hydrogen 3.168 N/A GLU 100.A N GLU 108.A O no hydrogen 2.762 N/A MET 101.A N TYR 3.A O no hydrogen 2.954 N/A TYR 102.A N ALA 106.A O no hydrogen 2.985 N/A GLU 108.A N GLU 100.A O no hydrogen 3.045 N/A SER 109.A OG LEU 159.A O no hydrogen 2.608 N/A PHE 110.A N GLY 98.A O no hydrogen 2.938 N/A HIS 112.A N SER 96.A O no hydrogen 2.849 N/A VAL 113.A N VAL 121.A O no hydrogen 2.757 N/A ALA 114.A N GLN 94.A O no hydrogen 2.811 N/A PHE 115.A N LYS 118.A O no hydrogen 2.829 N/A GLN 116.A N GLU 92.A O.A no hydrogen 2.872 N/A GLN 116.A N GLU 92.A O.B no hydrogen 2.852 N/A GLN 116.A NE2 PRO 90.A O no hydrogen 3.014 N/A LYS 118.A N PHE 115.A O no hydrogen 3.041 N/A VAL 120.A N VAL 113.A O no hydrogen 2.955 N/A VAL 121.A N VAL 113.A O no hydrogen 3.356 N/A ARG 122.A N GLN 129.A O no hydrogen 2.877 N/A ARG 122.A NE GLN 129.A OE1 no hydrogen 2.682 N/A ARG 122.A NH2 GLN 129.A OE1 no hydrogen 2.975 N/A PHE 123.A N LEU 111.A O no hydrogen 3.022 N/A TRP 124.A N SER 127.A O no hydrogen 2.938 N/A SER 127.A N TRP 124.A O no hydrogen 3.425 N/A TRP 128.A N ASN 146.A OD1 no hydrogen 2.816 N/A GLN 129.A N ARG 122.A O no hydrogen 2.840 N/A VAL 131.A N VAL 120.A O no hydrogen 2.936 N/A ALA 134.A N VAL 131.A O no hydrogen 3.299 N/A LEU 138.A N PRO 135.A O no hydrogen 3.416 N/A ASP 139.A N SER 136.A O no hydrogen 2.911 N/A LEU 140.A N TRP 137.A O no hydrogen 3.212 N/A ILE 142.A N LEU 138.A O no hydrogen 2.941 N/A LYS 143.A N ASP 139.A O no hydrogen 3.085 N/A VAL 144.A N LEU 140.A O no hydrogen 2.957 N/A LEU 145.A N PRO 141.A O no hydrogen 2.774 N/A ASN 146.A N ILE 142.A O no hydrogen 2.799 N/A ASN 146.A ND2 TRP 128.A O no hydrogen 2.946 N/A ALA 147.A N VAL 144.A O no hydrogen 3.343 N/A ASP 148.A N LEU 145.A O no hydrogen 3.194 N/A THR 151.A N ASP 148.A OD1 no hydrogen 3.086 N/A THR 151.A OG1 ASP 148.A OD2 no hydrogen 2.530 N/A SER 152.A N ASP 148.A O no hydrogen 3.178 N/A SER 152.A OG THR 126.A O no hydrogen 2.809 N/A ALA 153.A N GLN 149.A O no hydrogen 2.887 N/A THR 154.A N GLY 150.A O no hydrogen 3.150 N/A THR 154.A OG1 GLY 150.A O no hydrogen 3.079 N/A VAL 155.A N THR 151.A O no hydrogen 2.979 N/A GLN 156.A N SER 152.A O no hydrogen 2.974 N/A GLN 156.A NE2 SER 152.A O no hydrogen 3.291 N/A GLN 156.A NE2 SER 152.A OG no hydrogen 2.860 N/A MET 157.A N ALA 153.A O no hydrogen 3.016 N/A LEU 158.A N THR 154.A O no hydrogen 2.800 N/A LEU 159.A N VAL 155.A O no hydrogen 2.835 N/A ASN 160.A N GLN 156.A O no hydrogen 2.756 N/A ASP 161.A N MET 157.A O no hydrogen 2.955 N/A THR 162.A N MET 157.A O no hydrogen 2.986 N/A THR 162.A OG1 MET 157.A O no hydrogen 3.360 N/A CYS 163.A N LEU 158.A O no hydrogen 2.855 N/A LEU 165.A N ASP 161.A O no hydrogen 3.192 N/A PHE 166.A N THR 162.A O no hydrogen 2.839 N/A VAL 167.A N CYS 163.A O no hydrogen 2.881 N/A ARG 168.A N PRO 164.A O no hydrogen 2.997 N/A ARG 168.A NH2 TYR 102.A O no hydrogen 2.693 N/A ARG 168.A NH2 ALA 106.A O no hydrogen 3.308 N/A GLY 169.A N LEU 165.A O no hydrogen 3.260 N/A LEU 170.A N PHE 166.A O no hydrogen 2.828 N/A LEU 171.A N VAL 167.A O no hydrogen 2.799 N/A GLU 172.A N ARG 168.A O no hydrogen 3.135 N/A ALA 173.A N GLY 169.A O no hydrogen 2.813 N/A GLY 174.A N LEU 170.A O no hydrogen 2.736 N/A LYS 175.A N GLU 172.A O no hydrogen 3.419 N/A LYS 175.A NZ GLU 179.A OE1 no hydrogen 3.502 N/A LEU 178.A N GLY 174.A O no hydrogen 2.859 N/A GLU 179.A N LYS 175.A O no hydrogen 3.017 N/A LYS 180.A N ASP 177.A O no hydrogen 3.262 N/A GLU 182.A N TYR 203.A O no hydrogen 2.834 N/A VAL 185.A N SER 200.A O no hydrogen 2.993 N/A TRP 187.A N HIS 198.A O no hydrogen 2.871 N/A SER 189.A N VAL 196.A O no hydrogen 3.041 N/A SER 189.A OG HIS 198.A NE2 no hydrogen 2.557 N/A VAL 191.A N GLN 194.A O no hydrogen 2.832 N/A GLN 194.A N VAL 191.A O no hydrogen 2.610 N/A LEU 195.A N LEU 240.A O no hydrogen 2.948 N/A VAL 196.A N SER 189.A O no hydrogen 2.727 N/A CYS 197.A N ALA 238.A O no hydrogen 2.970 N/A HIS 198.A N TRP 187.A O no hydrogen 2.767 N/A HIS 198.A ND1 TYR 235.A OH no hydrogen 2.858 N/A HIS 198.A NE2 SER 189.A OG no hydrogen 2.557 N/A VAL 199.A N LEU 236.A O no hydrogen 2.781 N/A SER 200.A N VAL 185.A O no hydrogen 2.901 N/A GLY 201.A N TRP 234.A O no hydrogen 2.954 N/A TYR 203.A N GLU 182.A O no hydrogen 3.039 N/A TYR 203.A OH ASP 29.A OD1 no hydrogen 2.631 N/A TRP 208.A N LYS 255.A O no hydrogen 3.017 N/A MET 210.A N ARG 253.A O no hydrogen 3.004 N/A TRP 211.A N THR 221.A OG1 no hydrogen 3.246 N/A TRP 211.A NE1 ALA 238.A O no hydrogen 2.891 N/A MET 212.A N ALA 251.A O no hydrogen 2.688 N/A ARG 213.A N GLN 216.A O no hydrogen 3.047 N/A ARG 213.A NH1 ALA 248.A O no hydrogen 3.006 N/A ARG 213.A NH2 GLU 246.A O no hydrogen 3.065 N/A GLN 216.A N ARG 213.A O no hydrogen 3.082 N/A GLN 218.A N TRP 211.A O no hydrogen 2.726 N/A THR 221.A N GLN 218.A O no hydrogen 3.177 N/A THR 221.A OG1 GLN 218.A O no hydrogen 2.751 N/A HIS 222.A N THR 239.A O no hydrogen 2.880 N/A ARG 223.A NH2 VAL 207.A O no hydrogen 2.759 N/A GLY 224.A N GLN 237.A O no hydrogen 2.834 N/A LEU 227.A N TYR 235.A O no hydrogen 2.716 N/A ASN 229.A N THR 233.A O no hydrogen 2.896 N/A ASN 229.A ND2 SER 200.A OG no hydrogen 3.161 N/A ASN 229.A ND2 THR 233.A OG1 no hydrogen 3.066 N/A THR 233.A N ASP 231.A OD1 no hydrogen 3.327 N/A THR 233.A OG1 ASP 231.A OD1 no hydrogen 2.720 N/A TRP 234.A N PHE 202.A O no hydrogen 2.974 N/A TRP 234.A NE1 ASP 29.A OD2 no hydrogen 2.987 N/A TYR 235.A N LEU 227.A O no hydrogen 2.616 N/A TYR 235.A OH HIS 198.A ND1 no hydrogen 2.858 N/A TYR 235.A OH GLN 237.A OE1 no hydrogen 2.852 N/A LEU 236.A N VAL 199.A O no hydrogen 2.783 N/A ALA 238.A N CYS 197.A O no hydrogen 3.030 N/A THR 239.A N HIS 222.A O no hydrogen 2.920 N/A LEU 240.A N LEU 195.A O no hydrogen 2.872 N/A VAL 242.A N ARG 193.A O no hydrogen 2.900 N/A GLY 245.A N GLU 247.A OE1 no hydrogen 3.297 N/A GLU 246.A N GLU 243.A O no hydrogen 3.199 N/A GLU 247.A N GLU 247.A OE1 no hydrogen 3.269 N/A LEU 250.A N GLU 247.A O no hydrogen 3.002 N/A ALA 251.A N MET 212.A O no hydrogen 2.629 N/A CYS 252.A N LEU 266.A O no hydrogen 2.833 N/A ARG 253.A N MET 210.A O no hydrogen 2.874 N/A ARG 253.A NE ASP 263.A OD2 no hydrogen 2.789 N/A ARG 253.A NH2 ASP 263.A OD2 no hydrogen 2.953 N/A VAL 254.A N ILE 264.A O no hydrogen 2.809 N/A LYS 255.A N TRP 208.A O no hydrogen 2.886 N/A LYS 255.A NZ ASP 263.A OD2 no hydrogen 2.724 N/A HIS 256.A ND1 SER 258.A OG no hydrogen 2.531 N/A HIS 256.A NE2 PRO 204.A O no hydrogen 2.731 N/A SER 257.A OG GLN 181.A OE1 no hydrogen 2.718 N/A SER 258.A N HIS 256.A ND1 no hydrogen 3.099 N/A SER 258.A OG GLU 182.A O no hydrogen 3.321 N/A SER 258.A OG HIS 256.A ND1 no hydrogen 2.531 N/A LEU 259.A N HIS 256.A O no hydrogen 3.125 N/A GLN 262.A N LEU 259.A O no hydrogen 3.110 N/A ILE 264.A N VAL 254.A O no hydrogen 3.037 N/A LEU 266.A N CYS 252.A O no hydrogen 2.996 N/A TRP 268.A N LEU 250.A O no hydrogen 3.027 N/A