Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fqs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ILE 71.A O no hydrogen 2.768 N/A ASP 4.A N TYR 28.A OH no hydrogen 2.973 N/A ARG 5.A NE GLU 75.A OE1 no hydrogen 3.187 N/A ARG 5.A NH1 ARG 5.A O no hydrogen 3.440 N/A ARG 5.A NH2 GLU 75.A OE1 no hydrogen 2.910 N/A LEU 7.A N ASP 4.A O no hydrogen 2.792 N/A LEU 8.A N ARG 5.A O no hydrogen 3.260 N/A THR 9.A N TYR 27.A O no hydrogen 2.891 N/A GLU 11.A N LYS 25.A O no hydrogen 3.053 N/A LEU 15.A N VAL 23.A O no hydrogen 2.659 N/A GLY 16.A N VAL 23.A O no hydrogen 3.382 N/A SER 17.A OG GLU 14.A OE2 no hydrogen 2.520 N/A GLY 18.A N GLY 21.A O no hydrogen 3.039 N/A GLY 21.A N GLY 18.A O no hydrogen 3.329 N/A THR 22.A N ILE 41.A O no hydrogen 3.016 N/A VAL 23.A N GLY 16.A O no hydrogen 3.199 N/A LYS 24.A N VAL 39.A O no hydrogen 2.850 N/A LYS 25.A N LYS 13.A O no hydrogen 3.492 N/A LYS 25.A NZ GLU 85.A OE2 no hydrogen 3.249 N/A GLY 26.A N VAL 37.A O no hydrogen 2.796 N/A TYR 27.A N THR 9.A O no hydrogen 2.927 N/A TYR 28.A N LYS 35.A O no hydrogen 2.715 N/A GLN 29.A N LEU 7.A O no hydrogen 3.144 N/A GLN 29.A NE2 MET 30.A O no hydrogen 3.291 N/A MET 30.A N VAL 33.A O no hydrogen 2.908 N/A LYS 35.A N TYR 28.A O no hydrogen 2.818 N/A VAL 37.A N GLY 26.A O no hydrogen 2.682 N/A ALA 38.A N MET 81.A O no hydrogen 2.676 N/A VAL 39.A N LYS 24.A O no hydrogen 2.752 N/A LYS 40.A N LEU 79.A O no hydrogen 2.804 N/A LYS 40.A NZ GLU 53.A OE1 no hydrogen 2.890 N/A ILE 41.A N THR 22.A O no hydrogen 2.732 N/A LEU 42.A N TRP 77.A O no hydrogen 2.958 N/A LYS 43.A N PHE 20.A O no hydrogen 2.512 N/A ASP 48.A N PRO 44.A O no hydrogen 3.243 N/A GLU 49.A N ALA 45.A O no hydrogen 2.944 N/A LEU 50.A N LEU 46.A O no hydrogen 3.015 N/A LEU 51.A N LYS 47.A O no hydrogen 2.879 N/A ALA 52.A N ASP 48.A O no hydrogen 2.966 N/A GLU 53.A N GLU 49.A O no hydrogen 2.927 N/A ALA 54.A N LEU 50.A O no hydrogen 2.844 N/A ASN 55.A N LEU 51.A O no hydrogen 2.803 N/A VAL 56.A N ALA 52.A O no hydrogen 2.979 N/A MET 57.A N GLU 53.A O no hydrogen 3.100 N/A GLN 58.A N ALA 54.A O no hydrogen 2.914 N/A GLN 58.A NE2 ASN 55.A OD1 no hydrogen 3.513 N/A GLN 59.A N VAL 56.A O no hydrogen 3.039 N/A GLN 59.A NE2 ASN 55.A O no hydrogen 3.150 N/A LEU 60.A N MET 57.A O no hydrogen 3.126 N/A ASP 61.A N TYR 117.A OH no hydrogen 2.913 N/A TYR 64.A N ASN 62.A OD1 no hydrogen 2.912 N/A ILE 65.A N ASN 62.A O no hydrogen 3.325 N/A VAL 66.A N ILE 143.A O no hydrogen 2.943 N/A ARG 67.A N GLU 82.A OE2 no hydrogen 3.095 N/A ARG 67.A NH2 ASN 62.A O no hydrogen 3.406 N/A ILE 69.A N VAL 80.A O no hydrogen 2.790 N/A GLY 70.A N VAL 80.A O no hydrogen 3.280 N/A ILE 71.A N VAL 1.A O no hydrogen 2.565 N/A CYS 72.A N MET 78.A O no hydrogen 3.006 N/A CYS 72.A SG LEU 3.A O no hydrogen 3.923 N/A ALA 74.A N SER 76.A O no hydrogen 3.072 N/A GLU 75.A N GLU 75.A OE1 no hydrogen 3.047 N/A SER 76.A OG LEU 42.A O no hydrogen 3.376 N/A MET 78.A N CYS 72.A O no hydrogen 2.765 N/A LEU 79.A N LYS 40.A O no hydrogen 2.778 N/A VAL 80.A N GLY 70.A O no hydrogen 2.990 N/A MET 81.A N ALA 38.A O no hydrogen 2.743 N/A GLU 82.A N ARG 67.A O no hydrogen 3.081 N/A MET 83.A N THR 36.A O no hydrogen 3.332 N/A LEU 86.A N LEU 135.A O no hydrogen 3.028 N/A GLY 87.A N ALA 84.A O no hydrogen 3.357 N/A LEU 89.A N VAL 133.A O no hydrogen 2.734 N/A TYR 92.A N PRO 88.A O no hydrogen 3.047 N/A TYR 92.A OH GLN 138.A OE1 no hydrogen 3.413 N/A LEU 93.A N LEU 89.A O no hydrogen 3.106 N/A GLN 94.A N ASN 90.A O no hydrogen 2.958 N/A GLN 94.A NE2 GLY 198.A O no hydrogen 2.741 N/A GLN 95.A N LYS 91.A O no hydrogen 3.028 N/A ASN 96.A ND2 TYR 92.A O no hydrogen 2.723 N/A VAL 99.A N ASN 96.A O no hydrogen 3.323 N/A LYS 100.A NZ HIS 98.A O no hydrogen 3.468 N/A ASN 103.A N LYS 100.A O no hydrogen 3.290 N/A ASN 103.A ND2 GLN 138.A O no hydrogen 2.990 N/A ILE 104.A N LYS 100.A O no hydrogen 3.227 N/A ILE 105.A N ASP 101.A O no hydrogen 3.072 N/A GLU 106.A N LYS 102.A O no hydrogen 2.910 N/A LEU 107.A N ASN 103.A O no hydrogen 3.104 N/A VAL 108.A N ILE 104.A O no hydrogen 2.944 N/A HIS 109.A N ILE 105.A O no hydrogen 2.851 N/A HIS 109.A NE2 GLU 252.A OE2 no hydrogen 2.870 N/A GLN 110.A N GLU 106.A O no hydrogen 3.075 N/A GLN 110.A NE2 HIS 139.A O no hydrogen 2.876 N/A VAL 111.A N LEU 107.A O no hydrogen 3.016 N/A SER 112.A N VAL 108.A O no hydrogen 3.002 N/A SER 112.A OG HIS 109.A O no hydrogen 2.532 N/A MET 113.A N HIS 109.A O no hydrogen 3.093 N/A GLY 114.A N GLN 110.A O no hydrogen 3.117 N/A MET 115.A N VAL 111.A O no hydrogen 2.874 N/A LYS 116.A N SER 112.A O no hydrogen 2.758 N/A TYR 117.A N MET 113.A O no hydrogen 3.077 N/A LEU 118.A N GLY 114.A O no hydrogen 3.093 N/A GLU 119.A N MET 115.A O no hydrogen 2.878 N/A GLU 120.A N LYS 116.A O no hydrogen 2.990 N/A SER 121.A N TYR 117.A O no hydrogen 2.912 N/A SER 121.A OG TYR 117.A O no hydrogen 2.796 N/A ASN 122.A N GLU 119.A O no hydrogen 3.056 N/A PHE 123.A N LEU 118.A O no hydrogen 3.062 N/A VAL 124.A N LYS 150.A O no hydrogen 2.927 N/A HIS 125.A N ASP 183.A OD2 no hydrogen 2.801 N/A HIS 125.A NE2 SER 144.A O no hydrogen 2.834 N/A ARG 126.A N ASP 183.A OD1 no hydrogen 3.044 N/A ARG 126.A NH1 LEU 148.A O no hydrogen 2.637 N/A ASP 127.A N HIS 125.A ND1 no hydrogen 3.123 N/A ALA 130.A N GLU 193.A OE1 no hydrogen 3.089 N/A ARG 131.A NH2 ASP 127.A OD1 no hydrogen 3.454 N/A ASN 132.A N ALA 129.A O no hydrogen 2.905 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.628 N/A VAL 133.A N ALA 130.A O no hydrogen 3.069 N/A LEU 134.A N LYS 142.A O no hydrogen 2.799 N/A LEU 135.A N GLY 87.A O no hydrogen 2.854 N/A VAL 136.A N TYR 140.A O no hydrogen 2.765 N/A THR 137.A N TYR 140.A O no hydrogen 3.421 N/A GLN 138.A NE2 ASN 103.A OD1 no hydrogen 2.713 N/A HIS 139.A N THR 137.A OG1 no hydrogen 3.042 N/A HIS 139.A ND1 GLU 106.A OE1 no hydrogen 2.924 N/A TYR 140.A N THR 137.A O no hydrogen 3.010 N/A TYR 140.A OH PRO 63.A O no hydrogen 2.459 N/A ALA 141.A N GLN 110.A OE1 no hydrogen 2.640 N/A LYS 142.A N LEU 134.A O no hydrogen 2.913 N/A LYS 142.A NZ PRO 63.A O no hydrogen 3.164 N/A LYS 142.A NZ GLU 82.A OE2 no hydrogen 2.735 N/A LYS 142.A NZ TYR 140.A OH no hydrogen 3.030 N/A ILE 143.A N TYR 64.A O no hydrogen 2.949 N/A SER 144.A N ASN 132.A O no hydrogen 2.831 N/A SER 144.A OG ASN 132.A O no hydrogen 3.140 N/A GLY 147.A N ASP 145.A OD2 no hydrogen 3.344 N/A SER 149.A N PHE 146.A O no hydrogen 3.190 N/A SER 149.A OG HIS 125.A O no hydrogen 2.965 N/A LYS 150.A N VAL 124.A O no hydrogen 3.003 N/A LEU 152.A N ASN 122.A O no hydrogen 2.950 N/A ARG 153.A NE ASP 155.A OD1 no hydrogen 2.868 N/A ARG 153.A NH1 ASP 155.A OD1 no hydrogen 3.252 N/A ARG 153.A NH1 ASP 155.A OD2 no hydrogen 2.793 N/A GLU 156.A N ARG 153.A O no hydrogen 3.306 N/A TYR 159.A N PHE 178.A O no hydrogen 2.741 N/A ALA 161.A N TYR 176.A O no hydrogen 3.030 N/A VAL 165.A N TRP 163.A O no hydrogen 2.770 N/A LYS 166.A NZ TYR 202.A O no hydrogen 3.499 N/A LYS 166.A NZ MET 205.A O no hydrogen 2.758 N/A TRP 167.A N PRO 164.A O no hydrogen 2.960 N/A TRP 167.A NE1 GLU 193.A OE1 no hydrogen 2.746 N/A TYR 168.A N VAL 165.A O no hydrogen 2.962 N/A TYR 168.A OH ARG 126.A O no hydrogen 2.817 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.811 N/A CYS 172.A N ALA 169.A O no hydrogen 3.096 N/A CYS 172.A SG LYS 177.A O no hydrogen 3.454 N/A ILE 173.A N ALA 169.A O no hydrogen 3.269 N/A ASN 174.A N PRO 170.A O no hydrogen 2.786 N/A TYR 175.A N GLU 171.A O no hydrogen 2.871 N/A LYS 177.A N GLU 171.A O no hydrogen 3.414 N/A PHE 178.A N TYR 159.A O no hydrogen 2.900 N/A SER 179.A N SER 182.A OG no hydrogen 2.691 N/A LYS 181.A NZ VAL 242.A O no hydrogen 3.227 N/A LYS 181.A NZ ARG 245.A O no hydrogen 2.695 N/A SER 182.A N SER 179.A OG no hydrogen 3.390 N/A SER 182.A OG SER 179.A O no hydrogen 2.661 N/A ASP 183.A N SER 179.A O no hydrogen 3.211 N/A VAL 184.A N SER 180.A O no hydrogen 2.875 N/A TRP 185.A N LYS 181.A O no hydrogen 3.146 N/A SER 186.A N SER 182.A O no hydrogen 3.308 N/A SER 186.A OG TRP 167.A O no hydrogen 2.684 N/A SER 186.A OG SER 182.A O no hydrogen 3.285 N/A PHE 187.A N ASP 183.A O no hydrogen 2.828 N/A GLY 188.A N VAL 184.A O no hydrogen 3.082 N/A VAL 189.A N TRP 185.A O no hydrogen 3.230 N/A LEU 190.A N SER 186.A O no hydrogen 2.715 N/A MET 191.A N PHE 187.A O no hydrogen 2.672 N/A TRP 192.A N GLY 188.A O no hydrogen 2.963 N/A TRP 192.A NE1 GLY 221.A O no hydrogen 3.100 N/A GLU 193.A N VAL 189.A O no hydrogen 2.921 N/A ALA 194.A N LEU 190.A O no hydrogen 3.054 N/A PHE 195.A N MET 191.A O no hydrogen 3.020 N/A SER 196.A N GLU 193.A O no hydrogen 3.275 N/A SER 196.A OG TRP 192.A O no hydrogen 2.726 N/A TYR 197.A N ALA 194.A O no hydrogen 3.316 N/A TYR 197.A OH VAL 99.A O no hydrogen 2.685 N/A GLY 198.A N GLU 193.A O no hydrogen 2.774 N/A ARG 203.A NH2 GLN 199.A OE1 no hydrogen 3.404 N/A MET 205.A N TYR 202.A O no hydrogen 3.206 N/A LYS 206.A N GLU 209.A OE1 no hydrogen 3.065 N/A VAL 210.A N LYS 206.A O no hydrogen 3.125 N/A THR 211.A N GLY 207.A O no hydrogen 3.134 N/A THR 211.A OG1 GLY 207.A O no hydrogen 3.285 N/A ALA 212.A N SER 208.A O no hydrogen 2.943 N/A MET 213.A N GLU 209.A O no hydrogen 2.865 N/A LEU 214.A N VAL 210.A O no hydrogen 2.935 N/A GLU 215.A N THR 211.A O no hydrogen 3.030 N/A LYS 216.A N ALA 212.A O no hydrogen 3.297 N/A LYS 216.A N MET 213.A O no hydrogen 3.276 N/A LYS 216.A NZ GLU 218.A OE2 no hydrogen 3.190 N/A GLY 217.A N LEU 214.A O no hydrogen 2.865 N/A GLU 218.A N MET 213.A O no hydrogen 3.108 N/A ARG 219.A NE TRP 238.A O no hydrogen 3.166 N/A ARG 219.A NH1 LEU 214.A O no hydrogen 2.960 N/A ARG 219.A NH1 GLU 218.A O no hydrogen 3.046 N/A ARG 219.A NH2 TRP 238.A O no hydrogen 3.097 N/A CYS 222.A SG PRO 223.A O no hydrogen 3.737 N/A CYS 222.A SG CYS 226.A O no hydrogen 3.659 N/A CYS 226.A N PRO 223.A O no hydrogen 3.056 N/A CYS 226.A SG PRO 227.A O no hydrogen 3.585 N/A GLU 229.A N GLU 229.A OE1 no hydrogen 2.658 N/A MET 230.A N PRO 227.A O no hydrogen 2.916 N/A TYR 231.A N PRO 227.A O no hydrogen 3.111 N/A TYR 231.A OH MET 220.A O no hydrogen 2.628 N/A ASP 232.A N ARG 228.A O no hydrogen 2.788 N/A LEU 233.A N GLU 229.A O no hydrogen 3.382 N/A MET 234.A N MET 230.A O no hydrogen 3.085 N/A ASN 235.A N TYR 231.A O no hydrogen 3.083 N/A ASN 235.A ND2 TYR 231.A O no hydrogen 3.466 N/A LEU 236.A N ASP 232.A O no hydrogen 2.973 N/A CYS 237.A N LEU 233.A O no hydrogen 2.918 N/A CYS 237.A SG LEU 233.A O no hydrogen 3.217 N/A TRP 238.A N MET 234.A O no hydrogen 2.998 N/A THR 239.A OG1 LEU 236.A O no hydrogen 2.553 N/A ASN 244.A N ASP 241.A O no hydrogen 2.902 N/A ARG 245.A N ASP 241.A O no hydrogen 3.127 N/A ARG 245.A NE THR 239.A O no hydrogen 2.846 N/A ARG 245.A NH1 GLU 171.A OE2 no hydrogen 2.671 N/A ARG 245.A NH1 LYS 181.A O no hydrogen 2.899 N/A ARG 245.A NH2 GLU 171.A OE1 no hydrogen 2.866 N/A ARG 245.A NH2 GLU 171.A OE2 no hydrogen 3.373 N/A ARG 245.A NH2 THR 239.A O no hydrogen 2.969 N/A ARG 245.A NH2 TYR 240.A O no hydrogen 3.138 N/A PHE 248.A N GLU 119.A OE2 no hydrogen 3.059 N/A VAL 251.A N GLY 247.A O no hydrogen 3.107 N/A GLU 252.A N PHE 248.A O no hydrogen 2.742 N/A LEU 253.A N ALA 249.A O no hydrogen 3.157 N/A ARG 254.A N ALA 250.A O no hydrogen 3.008 N/A LEU 255.A N VAL 251.A O no hydrogen 3.060 N/A ARG 256.A N GLU 252.A O no hydrogen 2.768 N/A ARG 256.A NE GLU 252.A OE2 no hydrogen 3.089 N/A ARG 256.A NH2 GLU 252.A OE1 no hydrogen 2.750 N/A ASN 257.A N LEU 253.A O no hydrogen 2.899 N/A TYR 258.A N ARG 254.A O no hydrogen 3.206 N/A TYR 259.A N LEU 255.A O no hydrogen 2.889 N/A TYR 260.A N ARG 256.A O no hydrogen 3.145 N/A ASP 261.A N ASN 257.A O no hydrogen 3.194 N/A VAL 262.A N TYR 258.A O no hydrogen 3.042 N/A VAL 263.A N TYR 259.A O no hydrogen 2.764 N/A ASN 264.A N TYR 260.A O no hydrogen 2.903 N/A GLU 265.A N ASP 261.A O no hydrogen 2.812 N/A GLY 266.A N VAL 262.A O no hydrogen 3.149 N/A HIS 267.A N ASN 264.A O no hydrogen 3.052 N/A HIS 268.A N ASN 264.A O no hydrogen 3.333 N/A HIS 268.A N GLU 265.A O no hydrogen 2.964 N/A