Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sqq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N MET 1.A O no hydrogen 3.262 N/A GLN 5.A N ARG 22.A O no hydrogen 3.161 N/A VAL 7.A N LYS 20.A O no hydrogen 2.798 N/A GLU 8.A N LYS 20.A O no hydrogen 3.393 N/A ILE 10.A N VAL 18.A O no hydrogen 2.712 N/A GLY 11.A N VAL 18.A O no hydrogen 3.265 N/A THR 14.A OG1 ASP 141.A OD1 no hydrogen 2.894 N/A VAL 17.A N LYS 34.A O no hydrogen 3.100 N/A VAL 18.A N GLY 11.A O no hydrogen 2.866 N/A TYR 19.A N LEU 32.A O no hydrogen 2.787 N/A LYS 20.A N GLU 8.A O no hydrogen 2.791 N/A ALA 21.A N VAL 30.A O no hydrogen 2.824 N/A ARG 22.A N GLN 5.A O no hydrogen 3.015 N/A ASN 23.A N GLU 28.A O no hydrogen 2.744 N/A LYS 24.A N ASN 3.A O no hydrogen 3.000 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.858 N/A THR 26.A N ASN 23.A OD1 no hydrogen 2.824 N/A GLY 27.A N ASN 23.A O no hydrogen 2.711 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.349 N/A VAL 30.A N ALA 21.A O no hydrogen 2.837 N/A ALA 31.A N PHE 76.A O no hydrogen 3.011 N/A LEU 32.A N TYR 19.A O no hydrogen 2.697 N/A LYS 33.A N LEU 74.A O no hydrogen 2.910 N/A LYS 33.A NZ ASP 141.A OD2 no hydrogen 2.722 N/A LYS 34.A N VAL 17.A O no hydrogen 2.820 N/A ILE 35.A N LEU 72.A O no hydrogen 2.768 N/A THR 37.A OG1 ASN 70.A O no hydrogen 2.902 N/A ARG 46.A N SER 42.A O no hydrogen 3.390 N/A GLU 47.A N THR 43.A O no hydrogen 3.381 N/A ILE 48.A N ALA 44.A O no hydrogen 2.714 N/A SER 49.A N ILE 45.A O no hydrogen 2.983 N/A SER 49.A OG ILE 45.A O no hydrogen 2.941 N/A LEU 50.A N ARG 46.A O no hydrogen 3.077 N/A LEU 51.A N GLU 47.A O no hydrogen 2.999 N/A LYS 52.A N ILE 48.A O no hydrogen 2.874 N/A LYS 52.A NZ LEU 63.A O no hydrogen 3.001 N/A GLU 53.A N SER 49.A O no hydrogen 3.188 N/A GLU 53.A N LEU 50.A O no hydrogen 3.006 N/A LEU 54.A N LEU 51.A O no hydrogen 3.145 N/A ASN 55.A N GLU 53.A O no hydrogen 2.773 N/A ASN 55.A ND2 LYS 52.A O no hydrogen 3.441 N/A ASN 58.A ND2 GLN 106.A OE1 no hydrogen 3.046 N/A ASN 58.A ND2 ILE 137.A O no hydrogen 3.039 N/A ILE 59.A N HIS 56.A O no hydrogen 3.068 N/A VAL 60.A N LEU 139.A O no hydrogen 2.882 N/A LYS 61.A N GLU 77.A OE2 no hydrogen 2.591 N/A LEU 63.A N VAL 75.A O no hydrogen 2.613 N/A ASP 64.A N VAL 75.A O no hydrogen 3.241 N/A ILE 66.A N TYR 73.A O no hydrogen 2.803 N/A HIS 67.A ND1 LYS 71.A O no hydrogen 3.322 N/A THR 68.A N LYS 71.A O no hydrogen 2.989 N/A LYS 71.A N THR 68.A O no hydrogen 2.973 N/A LEU 72.A N ILE 35.A O no hydrogen 3.135 N/A TYR 73.A N ILE 66.A O no hydrogen 2.827 N/A LEU 74.A N LYS 33.A O no hydrogen 2.967 N/A VAL 75.A N ASP 64.A O no hydrogen 2.820 N/A PHE 76.A N ALA 31.A O no hydrogen 2.921 N/A GLU 77.A N LYS 61.A O no hydrogen 3.011 N/A GLN 81.A NE2 ARG 287.A O no hydrogen 3.249 N/A LEU 83.A N LEU 129.A O no hydrogen 2.781 N/A LYS 84.A N PRO 126.A O no hydrogen 3.295 N/A LYS 85.A N ASP 82.A OD1 no hydrogen 2.810 N/A PHE 86.A N ASP 82.A O no hydrogen 3.166 N/A MET 87.A N LEU 83.A O no hydrogen 2.803 N/A ASP 88.A N LYS 84.A O no hydrogen 3.024 N/A ALA 89.A N LYS 85.A O no hydrogen 2.789 N/A SER 90.A N MET 87.A O no hydrogen 3.126 N/A SER 90.A OG PHE 86.A O no hydrogen 2.675 N/A ALA 91.A N ASP 88.A O no hydrogen 3.363 N/A THR 93.A OG1 GLY 94.A O no hydrogen 3.443 N/A GLY 94.A N SER 90.A O no hydrogen 2.523 N/A LEU 99.A N PRO 96.A O no hydrogen 2.877 N/A ILE 100.A N PRO 96.A O no hydrogen 3.063 N/A LYS 101.A N LEU 97.A O no hydrogen 2.775 N/A LYS 101.A NZ PHE 275.A O no hydrogen 3.015 N/A LYS 101.A NZ ASP 278.A OD1 no hydrogen 2.536 N/A SER 102.A N PRO 98.A O no hydrogen 2.970 N/A TYR 103.A N LEU 99.A O no hydrogen 2.867 N/A LEU 104.A N ILE 100.A O no hydrogen 2.912 N/A PHE 105.A N LYS 101.A O no hydrogen 2.964 N/A GLN 106.A N SER 102.A O no hydrogen 2.948 N/A GLN 106.A NE2 SER 102.A O no hydrogen 3.540 N/A GLN 106.A NE2 SER 102.A OG no hydrogen 3.019 N/A GLN 106.A NE2 GLY 135.A O no hydrogen 2.944 N/A LEU 107.A N TYR 103.A O no hydrogen 2.918 N/A LEU 108.A N LEU 104.A O no hydrogen 2.926 N/A GLN 109.A N PHE 105.A O no hydrogen 3.026 N/A GLN 109.A NE2 PHE 105.A O no hydrogen 3.546 N/A GLY 110.A N GLN 106.A O no hydrogen 2.938 N/A LEU 111.A N LEU 107.A O no hydrogen 2.884 N/A ALA 112.A N LEU 108.A O no hydrogen 2.693 N/A PHE 113.A N GLN 109.A O no hydrogen 2.975 N/A CYS 114.A N GLY 110.A O no hydrogen 2.960 N/A CYS 114.A SG.A GLY 110.A O no hydrogen 3.355 N/A CYS 114.A SG.B GLY 110.A O no hydrogen 3.562 N/A CYS 114.A SG.B LEU 111.A O no hydrogen 3.492 N/A CYS 114.A SG.B VAL 119.A O no hydrogen 3.542 N/A HIS 115.A N LEU 111.A O no hydrogen 2.798 N/A HIS 115.A NE2 ASP 175.A OD2 no hydrogen 2.848 N/A SER 116.A N ALA 112.A O no hydrogen 3.033 N/A SER 116.A OG ALA 112.A O no hydrogen 3.304 N/A SER 116.A OG PHE 113.A O no hydrogen 2.944 N/A SER 116.A OG HIS 117.A ND1 no hydrogen 3.299 N/A HIS 117.A N PHE 113.A O no hydrogen 3.213 N/A HIS 117.A N CYS 114.A O no hydrogen 2.947 N/A HIS 117.A ND1 PHE 113.A O no hydrogen 2.856 N/A ARG 118.A N HIS 115.A O no hydrogen 3.026 N/A VAL 119.A N CYS 114.A O no hydrogen 2.792 N/A HIS 121.A N ASP 175.A OD2 no hydrogen 2.788 N/A ARG 122.A N ASP 175.A OD1 no hydrogen 2.853 N/A ARG 122.A NH1 GLY 143.A O no hydrogen 3.002 N/A LYS 125.A N ASN 128.A OD1.A no hydrogen 3.076 N/A LYS 125.A NZ ASP 123.A OD2 no hydrogen 3.449 N/A ASN 128.A N LYS 125.A O no hydrogen 2.899 N/A ASN 128.A ND2.A ASP 123.A O no hydrogen 2.507 N/A ASN 128.A ND2.B ASP 123.A O no hydrogen 3.038 N/A LEU 129.A N PRO 126.A O no hydrogen 3.295 N/A LEU 130.A N LYS 138.A O no hydrogen 2.938 N/A ILE 131.A N GLN 81.A O no hydrogen 2.864 N/A ASN 132.A N ALA 136.A O no hydrogen 3.287 N/A GLU 134.A N ASN 132.A OD1 no hydrogen 2.933 N/A GLY 135.A N ASN 132.A O no hydrogen 3.486 N/A ALA 136.A N ASN 132.A OD1 no hydrogen 3.002 N/A ILE 137.A N GLN 106.A OE1 no hydrogen 3.159 N/A LYS 138.A N LEU 130.A O no hydrogen 2.688 N/A LYS 138.A NZ GLU 77.A OE1 no hydrogen 3.425 N/A LYS 138.A NZ GLU 77.A OE2 no hydrogen 3.437 N/A LEU 139.A N ASN 58.A O no hydrogen 2.844 N/A ALA 140.A N ASN 128.A O no hydrogen 2.885 N/A GLY 143.A N HIS 121.A O no hydrogen 2.927 N/A LEU 144.A N TYR 15.A OH no hydrogen 3.127 N/A ALA 145.A N GLU 47.A OE2 no hydrogen 3.175 N/A ARG 147.A NH1 GLU 152.A O no hydrogen 2.814 N/A THR 150.A OG1 HIS 151.A ND1 no hydrogen 2.752 N/A TRP 157.A NE1 GLY 195.A O no hydrogen 2.867 N/A TYR 158.A OH GLU 185.A OE1 no hydrogen 2.633 N/A ARG 159.A N LEU 156.A O no hydrogen 3.158 N/A ARG 159.A NH1.A ASP 123.A OD1 no hydrogen 2.851 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 2.788 N/A ILE 163.A N ALA 160.A O no hydrogen 3.079 N/A LEU 164.A N ALA 160.A O no hydrogen 3.325 N/A LEU 165.A N PRO 161.A O no hydrogen 2.892 N/A GLY 166.A N ILE 163.A O no hydrogen 3.028 N/A CYS 167.A N GLU 162.A O no hydrogen 2.908 N/A CYS 167.A SG GLU 162.A O no hydrogen 2.955 N/A ALA 173.A N SER 171.A OG no hydrogen 3.049 N/A VAL 174.A N SER 171.A O no hydrogen 2.949 N/A ASP 175.A N THR 172.A O no hydrogen 3.121 N/A TRP 177.A N ALA 173.A O no hydrogen 3.160 N/A SER 178.A N VAL 174.A O no hydrogen 3.252 N/A SER 178.A OG TYR 158.A O no hydrogen 2.698 N/A SER 178.A OG VAL 174.A O no hydrogen 3.214 N/A LEU 179.A N ASP 175.A O no hydrogen 3.027 N/A GLY 180.A N ILE 176.A O no hydrogen 2.910 N/A CYS 181.A N TRP 177.A O no hydrogen 2.987 N/A CYS 181.A SG.A TRP 177.A O no hydrogen 3.407 N/A CYS 181.A SG.B TRP 177.A O no hydrogen 3.636 N/A ILE 182.A N SER 178.A O no hydrogen 3.027 N/A PHE 183.A N LEU 179.A O no hydrogen 2.896 N/A ALA 184.A N GLY 180.A O no hydrogen 2.984 N/A GLU 185.A N CYS 181.A O no hydrogen 3.157 N/A MET 186.A N ILE 182.A O no hydrogen 2.910 N/A VAL 187.A N PHE 183.A O no hydrogen 3.132 N/A THR 188.A N ALA 184.A O no hydrogen 2.918 N/A THR 188.A OG1 ALA 184.A O no hydrogen 3.146 N/A ARG 189.A N GLU 185.A O no hydrogen 2.856 N/A ARG 189.A NE ALA 91.A O no hydrogen 3.187 N/A ARG 189.A NH2 ALA 91.A O no hydrogen 2.983 N/A ARG 190.A N THR 188.A OG1 no hydrogen 3.261 N/A GLY 195.A N PHE 193.A O no hydrogen 3.028 N/A GLY 195.A N GLN 201.A OE1 no hydrogen 2.776 N/A ASP 196.A N ASP 200.A OD2 no hydrogen 3.168 N/A ASP 200.A N SER 197.A OG no hydrogen 3.170 N/A GLN 201.A N SER 197.A O no hydrogen 2.836 N/A GLN 201.A NE2 PHE 193.A O no hydrogen 2.838 N/A LEU 202.A N GLU 198.A O no hydrogen 2.921 N/A PHE 203.A N ILE 199.A O no hydrogen 2.798 N/A ARG 204.A N ASP 200.A O no hydrogen 2.861 N/A ARG 204.A NE ASP 200.A OD2 no hydrogen 2.815 N/A ILE 205.A N GLN 201.A O no hydrogen 3.073 N/A PHE 206.A N LEU 202.A O no hydrogen 2.969 N/A ARG 207.A N PHE 203.A O no hydrogen 2.828 N/A THR 208.A N ARG 204.A O no hydrogen 3.301 N/A THR 208.A N ILE 205.A O no hydrogen 3.162 N/A THR 208.A OG1 ARG 204.A O no hydrogen 3.435 N/A LEU 209.A N ILE 205.A O no hydrogen 2.878 N/A GLY 210.A N PHE 206.A O no hydrogen 2.723 N/A THR 211.A N TRP 233.A O no hydrogen 2.899 N/A THR 211.A OG1 PRO 231.A O no hydrogen 2.737 N/A VAL 216.A N ASP 213.A OD1 no hydrogen 3.150 N/A TRP 217.A N ASP 213.A O no hydrogen 2.871 N/A GLY 219.A N GLU 214.A OE1 no hydrogen 2.787 N/A VAL 220.A N TRP 217.A O no hydrogen 2.951 N/A THR 221.A N GLU 214.A OE2 no hydrogen 3.023 N/A THR 221.A OG1 GLU 214.A OE2 no hydrogen 2.617 N/A SER 222.A N GLY 219.A O no hydrogen 3.069 N/A MET 223.A N VAL 220.A O no hydrogen 3.229 N/A ASP 225.A N LEU 165.A O no hydrogen 2.911 N/A TYR 226.A N MET 223.A O no hydrogen 3.053 N/A PHE 230.A N LYS 227.A O no hydrogen 2.916 N/A TRP 233.A N THR 211.A OG1 no hydrogen 2.866 N/A ARG 235.A NH1 LEU 209.A O no hydrogen 3.108 N/A GLN 236.A N THR 208.A O no hydrogen 2.942 N/A SER 239.A N ASP 237.A OD1 no hydrogen 2.904 N/A SER 239.A OG ASP 237.A OD1 no hydrogen 2.696 N/A LYS 240.A N ASP 237.A O no hydrogen 3.304 N/A LYS 240.A NZ GLN 236.A OE1 no hydrogen 2.724 N/A VAL 241.A N PHE 238.A O no hydrogen 3.010 N/A LEU 245.A N VAL 242.A O no hydrogen 2.818 N/A GLY 249.A N ASP 246.A OD1 no hydrogen 2.914 N/A ARG 250.A N ASP 246.A O no hydrogen 2.903 N/A ARG 250.A NE GLU 247.A OE1 no hydrogen 3.185 N/A ARG 250.A NH2 GLU 247.A OE1 no hydrogen 2.358 N/A SER 251.A N GLU 247.A O no hydrogen 2.874 N/A SER 251.A OG HIS 273.A NE2 no hydrogen 3.164 N/A LEU 252.A N ASP 248.A O no hydrogen 3.063 N/A LEU 253.A N GLY 249.A O no hydrogen 2.855 N/A SER 254.A N ARG 250.A O no hydrogen 2.906 N/A SER 254.A OG ARG 250.A O no hydrogen 3.556 N/A SER 254.A OG SER 251.A O no hydrogen 2.740 N/A GLN 255.A N SER 251.A O no hydrogen 3.165 N/A MET 256.A N LEU 252.A O no hydrogen 2.968 N/A LEU 257.A N LEU 253.A O no hydrogen 2.967 N/A LEU 257.A N SER 254.A O no hydrogen 3.269 N/A HIS 258.A ND1 LYS 263.A O no hydrogen 3.291 N/A TYR 259.A OH GLY 210.A O no hydrogen 2.468 N/A ASN 262.A N ASP 260.A OD1 no hydrogen 3.016 N/A LYS 263.A N ASP 260.A O no hydrogen 2.716 N/A LYS 263.A NZ VAL 216.A O no hydrogen 3.221 N/A LYS 263.A NZ ASP 260.A OD2 no hydrogen 2.752 N/A ARG 264.A N ASP 260.A O no hydrogen 2.986 N/A ARG 264.A NE HIS 258.A O no hydrogen 2.792 N/A ARG 264.A NH1 GLU 162.A OE1 no hydrogen 3.444 N/A ARG 264.A NH1 GLU 162.A OE2 no hydrogen 2.924 N/A ARG 264.A NH1 ALA 173.A O no hydrogen 2.912 N/A ARG 264.A NH2 GLU 162.A OE1 no hydrogen 2.805 N/A ARG 264.A NH2 HIS 258.A O no hydrogen 3.200 N/A ARG 264.A NH2 TYR 259.A O no hydrogen 3.012 N/A ILE 265.A N GLN 255.A O no hydrogen 3.058 N/A ALA 269.A N SER 266.A OG no hydrogen 3.038 N/A ALA 270.A N SER 266.A O no hydrogen 2.904 N/A LEU 271.A N ALA 267.A O no hydrogen 3.035 N/A ALA 272.A N ALA 269.A O no hydrogen 3.023 N/A HIS 273.A N ALA 270.A O no hydrogen 3.005 N/A HIS 273.A NE2 SER 251.A OG no hydrogen 3.164 N/A PHE 275.A N HIS 273.A ND1 no hydrogen 2.952 N/A PHE 276.A N HIS 273.A O no hydrogen 3.007 N/A GLN 277.A N PRO 274.A O no hydrogen 3.123 N/A VAL 279.A N PHE 276.A O no hydrogen 3.181 N/A