Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5nq3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N LEU 104.A O no hydrogen 3.408 N/A HIS 4.A ND1 ASP 30.A OD2 no hydrogen 2.548 N/A SER 5.A N ASP 30.A OD1 no hydrogen 2.744 N/A LEU 6.A N CYS 102.A O no hydrogen 3.017 N/A SER 7.A N.A TYR 28.A O no hydrogen 3.019 N/A SER 7.A N.B TYR 28.A O no hydrogen 3.018 N/A TYR 8.A N TYR 100.A O no hydrogen 2.914 N/A PHE 9.A N VAL 26.A O no hydrogen 2.879 N/A SER 10.A N TRP 98.A O no hydrogen 2.776 N/A THR 11.A N ILE 24.A O no hydrogen 2.760 N/A ALA 12.A N LEU 96.A O no hydrogen 2.850 N/A VAL 13.A N ARG 22.A O no hydrogen 2.839 N/A SER 14.A N HIS 94.A O no hydrogen 2.868 N/A ARG 15.A N ASP 20.A O no hydrogen 2.856 N/A ARG 15.A NE ASP 20.A OD1 no hydrogen 2.856 N/A ARG 15.A NH1 ASP 40.A OD2 no hydrogen 2.767 N/A ARG 15.A NH2 ASP 20.A OD1 no hydrogen 3.271 N/A ARG 15.A NH2 ASP 20.A OD2 no hydrogen 2.919 N/A ARG 15.A NH2 ASP 40.A OD1 no hydrogen 2.868 N/A ARG 15.A NH2 ASP 40.A OD2 no hydrogen 3.349 N/A ARG 18.A N.A ARG 15.A O no hydrogen 2.832 N/A ARG 18.A N.B ARG 15.A O no hydrogen 2.832 N/A ARG 18.A NH1.B ASP 17.A O no hydrogen 3.220 N/A GLY 19.A N PRO 16.A O no hydrogen 3.177 N/A ASP 20.A N ARG 15.A O no hydrogen 3.411 N/A ARG 22.A N VAL 13.A O no hydrogen 2.944 N/A ARG 22.A NE ASP 38.A OD1 no hydrogen 3.047 N/A ARG 22.A NH2 ASP 38.A OD2 no hydrogen 2.872 N/A PHE 23.A N SER 39.A OG no hydrogen 2.815 N/A ILE 24.A N THR 11.A O no hydrogen 2.980 N/A ALA 25.A N PHE 37.A O no hydrogen 2.888 N/A VAL 26.A N PHE 9.A O no hydrogen 2.883 N/A GLY 27.A N VAL 35.A O no hydrogen 3.046 N/A TYR 28.A N SER 7.A O.A no hydrogen 2.806 N/A TYR 28.A N SER 7.A O.B no hydrogen 2.806 N/A VAL 29.A N THR 32.A O no hydrogen 2.952 N/A ASP 30.A N SER 5.A O no hydrogen 2.924 N/A THR 32.A N VAL 29.A O no hydrogen 2.857 N/A GLN 33.A NE2 VAL 35.A O no hydrogen 3.099 N/A PHE 34.A N GLY 27.A O no hydrogen 2.831 N/A ARG 36.A N GLU 47.A O no hydrogen 3.001 N/A ARG 36.A NE GLU 47.A OE2 no hydrogen 2.903 N/A ARG 36.A NH2 GLU 47.A OE2 no hydrogen 2.881 N/A PHE 37.A N ALA 25.A O no hydrogen 2.834 N/A SER 39.A N PHE 23.A O no hydrogen 2.978 N/A SER 39.A OG PHE 23.A O no hydrogen 3.393 N/A ASP 40.A N ASP 38.A OD1 no hydrogen 2.974 N/A ALA 41.A N ASP 38.A O no hydrogen 3.072 N/A ARG 45.A NH2 ASP 62.A OD1 no hydrogen 2.657 N/A MET 46.A N THR 65.A OG1 no hydrogen 2.846 N/A GLU 47.A N ARG 36.A O no hydrogen 2.840 N/A ARG 49.A N PHE 34.A O no hydrogen 2.751 N/A ILE 53.A N ALA 50.A O no hydrogen 3.298 N/A GLN 54.A N PRO 51.A O no hydrogen 3.088 N/A GLU 56.A N ILE 53.A O no hydrogen 3.053 N/A GLN 58.A NE2 ASP 62.A OD1 no hydrogen 2.938 N/A TYR 60.A OH TYR 172.A OH no hydrogen 2.682 N/A TRP 61.A N GLY 57.A O no hydrogen 3.334 N/A TRP 61.A NE1 GLU 56.A O no hydrogen 2.916 N/A ASP 62.A N GLN 58.A O no hydrogen 2.756 N/A ARG 63.A N GLU 59.A O.A no hydrogen 2.891 N/A ARG 63.A N GLU 59.A O.B no hydrogen 2.883 N/A ARG 63.A NH2 GLU 59.A OE2.B no hydrogen 3.388 N/A ASN 64.A N TYR 60.A O no hydrogen 2.974 N/A ASN 64.A ND2 TYR 60.A O no hydrogen 2.998 N/A THR 65.A N TRP 61.A O no hydrogen 2.930 N/A THR 65.A OG1 TRP 61.A O no hydrogen 2.733 N/A ARG 66.A N ASP 62.A O no hydrogen 2.871 N/A ASN 67.A N ARG 63.A O no hydrogen 2.956 N/A VAL 68.A N ASN 64.A O no hydrogen 2.856 N/A MET 69.A N THR 65.A O no hydrogen 2.870 N/A GLY 70.A N ARG 66.A O no hydrogen 2.977 N/A SER 71.A N ASN 67.A O no hydrogen 3.008 N/A ALA 72.A N VAL 68.A O no hydrogen 2.790 N/A GLN 73.A N MET 69.A O no hydrogen 2.993 N/A ILE 74.A N GLY 70.A O no hydrogen 3.025 N/A ASN 75.A N SER 71.A O no hydrogen 2.860 N/A ASN 75.A ND2 SER 71.A O no hydrogen 2.968 N/A ARG 76.A N ALA 72.A O no hydrogen 2.946 N/A VAL 77.A N GLN 73.A O no hydrogen 3.102 N/A ASN 78.A N ILE 74.A O no hydrogen 2.848 N/A ASN 78.A ND2 ASN 75.A OD1 no hydrogen 3.308 N/A LEU 79.A N ASN 75.A O no hydrogen 3.051 N/A THR 81.A N VAL 77.A O no hydrogen 2.942 N/A THR 81.A OG1 VAL 77.A O no hydrogen 3.197 N/A LEU 82.A N ASN 78.A O no hydrogen 2.871 N/A ARG 83.A N LEU 79.A O no hydrogen 3.053 N/A GLY 84.A N LYS 80.A O no hydrogen 3.122 N/A TYR 85.A N THR 81.A O no hydrogen 2.959 N/A TYR 86.A N LEU 82.A O no hydrogen 3.068 N/A TYR 86.A OH ASP 138.A OD1 no hydrogen 3.175 N/A TYR 86.A OH ASP 138.A OD2 no hydrogen 2.627 N/A ASN 87.A N GLY 84.A O no hydrogen 3.028 N/A GLN 88.A N ARG 83.A O no hydrogen 2.922 N/A GLN 88.A NE2 TYR 119.A OH no hydrogen 2.666 N/A ALA 91.A N SER 89.A OG no hydrogen 2.760 N/A SER 93.A OG SER 14.A O no hydrogen 2.696 N/A HIS 94.A N SER 14.A OG no hydrogen 2.899 N/A THR 95.A N ASP 120.A OD1 no hydrogen 2.876 N/A LEU 96.A N ALA 12.A O no hydrogen 2.791 N/A GLN 97.A N ALA 118.A O no hydrogen 2.862 N/A TRP 98.A N SER 10.A O no hydrogen 2.851 N/A TRP 98.A NE1 ASP 115.A OD1 no hydrogen 2.739 N/A MET 99.A N GLN 116.A O no hydrogen 2.900 N/A TYR 100.A N TYR 8.A O no hydrogen 3.108 N/A GLY 101.A N TYR 114.A O no hydrogen 3.045 N/A CYS 102.A N LEU 6.A O no hydrogen 2.911 N/A TYR 103.A N ARG 112.A O no hydrogen 2.924 N/A LEU 104.A N HIS 4.A O no hydrogen 2.737 N/A GLY 105.A N LEU 109.A O no hydrogen 2.766 N/A GLY 108.A N GLY 105.A O no hydrogen 2.745 N/A LEU 109.A N ASP 107.A OD1 no hydrogen 2.912 N/A LEU 111.A N TYR 103.A O no hydrogen 2.868 N/A ARG 112.A N TYR 103.A O no hydrogen 3.296 N/A TYR 114.A N GLY 101.A O no hydrogen 2.984 N/A GLN 116.A N MET 99.A O no hydrogen 2.876 N/A PHE 117.A N LEU 125.A O no hydrogen 2.851 N/A ALA 118.A N GLN 97.A O no hydrogen 2.946 N/A TYR 119.A N ALA 122.A O no hydrogen 2.919 N/A ASP 120.A N THR 95.A O no hydrogen 2.762 N/A ALA 122.A N TYR 119.A O no hydrogen 3.163 N/A TYR 124.A N PHE 117.A O no hydrogen 2.859 N/A TYR 124.A OH SER 144.A OG no hydrogen 2.710 N/A LEU 125.A N PHE 117.A O no hydrogen 3.423 N/A ALA 126.A N THR 135.A O no hydrogen 2.958 N/A LEU 127.A N ASP 115.A O no hydrogen 2.837 N/A ASN 128.A N SER 133.A O no hydrogen 2.856 N/A ASN 128.A ND2 SER 133.A OG no hydrogen 2.657 N/A LEU 131.A N ASN 128.A O no hydrogen 2.805 N/A ARG 132.A N ASP 130.A OD1 no hydrogen 3.060 N/A SER 133.A OG ASP 130.A OD1 no hydrogen 2.961 N/A THR 135.A N ALA 126.A O no hydrogen 2.768 N/A THR 135.A OG1 ASN 128.A OD1 no hydrogen 2.537 N/A ALA 137.A N TYR 124.A O no hydrogen 2.825 N/A ALA 141.A N ASP 138.A OD1 no hydrogen 2.864 N/A GLN 142.A N ASP 138.A O no hydrogen 2.970 N/A ILE 143.A N ALA 140.A O no hydrogen 2.908 N/A SER 144.A OG TYR 124.A OH no hydrogen 2.710 N/A LYS 145.A N ALA 141.A O no hydrogen 2.779 N/A LYS 145.A NZ TRP 134.A O no hydrogen 3.104 N/A ARG 146.A N GLN 142.A O no hydrogen 3.054 N/A LYS 147.A N ILE 143.A O no hydrogen 3.149 N/A LYS 147.A NZ TYR 85.A OH no hydrogen 3.226 N/A TRP 148.A N SER 144.A O no hydrogen 2.932 N/A GLU 149.A N LYS 145.A O no hydrogen 2.804 N/A ALA 150.A N ARG 146.A O no hydrogen 2.972 N/A ALA 151.A N LYS 147.A O no hydrogen 2.939 N/A ASP 152.A N GLU 149.A O no hydrogen 3.144 N/A ALA 153.A N TRP 148.A O no hydrogen 2.996 N/A GLU 155.A N ASP 152.A O no hydrogen 3.212 N/A GLU 155.A N ASP 152.A OD1 no hydrogen 3.234 N/A HIS 156.A N ASP 152.A O no hydrogen 3.373 N/A HIS 156.A ND1 ASP 152.A O no hydrogen 3.122 N/A TRP 157.A N ALA 153.A O no hydrogen 2.907 N/A ARG 158.A N ALA 154.A O no hydrogen 2.814 N/A ARG 158.A NH1 LEU 131.A O no hydrogen 2.885 N/A SER 159.A N GLU 155.A O no hydrogen 3.142 N/A SER 159.A OG GLU 155.A O no hydrogen 3.092 N/A SER 159.A OG HIS 156.A O no hydrogen 2.731 N/A TYR 160.A N HIS 156.A O no hydrogen 3.062 N/A LEU 161.A N TRP 157.A O no hydrogen 2.839 N/A GLN 162.A N ARG 158.A O no hydrogen 2.984 N/A GLY 163.A N SER 159.A O no hydrogen 2.943 N/A CYS 165.A N TYR 160.A O no hydrogen 2.820 N/A GLU 167.A N GLY 163.A O no hydrogen 2.929 N/A SER 168.A N.A THR 164.A O no hydrogen 2.919 N/A SER 168.A N.B THR 164.A O no hydrogen 2.918 N/A SER 168.A OG.A THR 164.A O no hydrogen 2.808 N/A SER 168.A OG.B THR 164.A O no hydrogen 2.777 N/A SER 168.A OG.B CYS 165.A O no hydrogen 3.021 N/A LEU 169.A N CYS 165.A O no hydrogen 2.972 N/A ARG 170.A N VAL 166.A O no hydrogen 2.947 N/A ARG 170.A NH1 GLY 108.A O no hydrogen 2.925 N/A ARG 171.A N GLU 167.A O no hydrogen 3.107 N/A ARG 171.A NH1 GLU 56.A OE1 no hydrogen 3.247 N/A ARG 171.A NH2 GLU 56.A OE1 no hydrogen 2.890 N/A TYR 172.A N SER 168.A O.A no hydrogen 2.803 N/A TYR 172.A N SER 168.A O.B no hydrogen 2.803 N/A TYR 172.A OH TYR 60.A OH no hydrogen 2.682 N/A LEU 173.A N LEU 169.A O no hydrogen 2.904 N/A GLN 174.A N.A ARG 170.A O no hydrogen 3.310 N/A GLN 174.A N.B ARG 170.A O no hydrogen 3.309 N/A MET 175.A N.A ARG 171.A O no hydrogen 2.988 N/A MET 175.A N.B ARG 171.A O no hydrogen 2.989 N/A GLY 176.A N TYR 172.A O no hydrogen 2.806 N/A LYS 177.A N GLN 174.A O.A no hydrogen 3.352 N/A LYS 177.A N GLN 174.A O.B no hydrogen 3.346 N/A THR 179.A N GLY 176.A O no hydrogen 3.071 N/A THR 179.A OG1 GLY 176.A O no hydrogen 3.324 N/A LEU 180.A N GLY 176.A O no hydrogen 2.789 N/A GLN 181.A N LYS 177.A O no hydrogen 3.141 N/A GLN 181.A NE2 LEU 173.A O no hydrogen 3.152 N/A GLU 184.A N.A HIS 210.A O no hydrogen 2.797 N/A GLU 184.A N.B HIS 210.A O no hydrogen 2.832 N/A LYS 187.A N LEU 207.A O no hydrogen 2.823 N/A HIS 189.A N TRP 205.A O no hydrogen 3.238 N/A THR 191.A N ARG 203.A O no hydrogen 2.845 N/A ARG 192.A NH1 GLU 255.A OE2 no hydrogen 2.463 N/A HIS 193.A N THR 201.A O no hydrogen 3.007 N/A SER 195.A N GLY 199.A O no hydrogen 3.012 N/A SER 195.A OG GLY 199.A O no hydrogen 3.381 N/A SER 195.A OG THR 201.A OG1 no hydrogen 2.838 N/A SER 196.A N GLY 199.A O no hydrogen 3.259 N/A LEU 198.A N SER 196.A OG no hydrogen 3.108 N/A VAL 200.A N VAL 250.A O no hydrogen 2.869 N/A THR 201.A N HIS 193.A O no hydrogen 2.859 N/A THR 201.A OG1 SER 195.A OG no hydrogen 2.838 N/A LEU 202.A N LEU 248.A O no hydrogen 2.839 N/A ARG 203.A N THR 191.A O no hydrogen 3.007 N/A CYS 204.A N ALA 246.A O no hydrogen 2.776 N/A TRP 205.A N HIS 189.A O no hydrogen 2.818 N/A ALA 206.A N LYS 244.A O no hydrogen 2.849 N/A LEU 207.A N LYS 187.A O no hydrogen 2.856 N/A PHE 209.A N PHE 242.A O no hydrogen 3.508 N/A HIS 210.A N GLU 184.A O.A no hydrogen 3.040 N/A HIS 210.A N GLU 184.A O.B no hydrogen 3.039 N/A LYS 212.A N ASP 31.A OD2 no hydrogen 2.800 N/A SER 215.A N GLN 263.A O no hydrogen 2.984 N/A THR 217.A N HIS 261.A O no hydrogen 3.069 N/A TRP 218.A NE1 ALA 246.A O no hydrogen 2.988 N/A GLN 219.A N THR 259.A O no hydrogen 2.790 N/A ARG 220.A N GLN 223.A O no hydrogen 3.045 N/A ARG 220.A NH1 GLU 254.A OE1 no hydrogen 2.800 N/A ARG 220.A NH1 TYR 258.A OH no hydrogen 3.439 N/A GLN 225.A N TRP 218.A O no hydrogen 2.934 N/A ASP 228.A N GLN 225.A O no hydrogen 3.267 N/A MET 229.A N GLN 225.A O no hydrogen 3.097 N/A GLU 230.A N ALA 247.A O no hydrogen 2.810 N/A VAL 232.A N TRP 245.A O no hydrogen 3.184 N/A ARG 235.A N GLN 243.A O no hydrogen 2.947 N/A ARG 235.A NE GLN 243.A OE1 no hydrogen 2.890 N/A ARG 235.A NH2 GLN 243.A OE1 no hydrogen 2.977 N/A SER 237.A N THR 241.A O no hydrogen 2.819 N/A SER 237.A OG THR 241.A OG1 no hydrogen 3.405 N/A THR 241.A N ASP 239.A OD1 no hydrogen 3.062 N/A THR 241.A OG1 ASP 239.A OD1 no hydrogen 2.728 N/A PHE 242.A N PHE 209.A O no hydrogen 2.855 N/A GLN 243.A N ARG 235.A O no hydrogen 2.831 N/A GLN 243.A NE2 SER 237.A OG no hydrogen 2.945 N/A LYS 244.A N ALA 206.A O no hydrogen 2.929 N/A LYS 244.A NZ VAL 232.A O no hydrogen 2.842 N/A LYS 244.A NZ THR 234.A OG1 no hydrogen 2.888 N/A ALA 246.A N CYS 204.A O no hydrogen 2.955 N/A ALA 247.A N GLU 230.A O no hydrogen 2.708 N/A LEU 248.A N LEU 202.A O no hydrogen 2.874 N/A VAL 250.A N VAL 200.A O no hydrogen 2.785 N/A GLU 254.A N PRO 251.A O no hydrogen 2.982 N/A GLU 255.A N GLU 255.A OE1 no hydrogen 2.797 N/A SER 257.A N GLU 254.A O no hydrogen 2.969 N/A TYR 258.A N GLU 255.A O no hydrogen 3.107 N/A THR 259.A N GLN 219.A O no hydrogen 3.033 N/A THR 259.A OG1 HIS 261.A NE2 no hydrogen 3.075 N/A CYS 260.A N LEU 273.A O no hydrogen 2.798 N/A HIS 261.A N THR 217.A O no hydrogen 2.706 N/A HIS 261.A NE2 THR 259.A OG1 no hydrogen 3.075 N/A VAL 262.A N LEU 271.A O no hydrogen 2.959 N/A GLN 263.A N SER 215.A O no hydrogen 2.928 N/A HIS 264.A NE2 PRO 211.A O no hydrogen 2.737 N/A GLY 266.A N HIS 264.A ND1 no hydrogen 3.035 N/A LEU 267.A N HIS 264.A O no hydrogen 3.078 N/A LEU 271.A N VAL 262.A O no hydrogen 2.857 N/A LEU 273.A N CYS 260.A O no hydrogen 2.800 N/A ARG 274.A NH1 GLN 256.A O no hydrogen 2.410 N/A