Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nuy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A NZ THR 76.A O no hydrogen 3.375 N/A LYS 5.A NZ GLU 29.A OE2 no hydrogen 2.923 N/A ARG 6.A N ASP 9.A OD2 no hydrogen 2.806 N/A ARG 6.A NH2 GLU 8.A OE2.A no hydrogen 2.556 N/A GLU 8.A N GLU 8.A OE1.B no hydrogen 2.639 N/A ASP 9.A N ARG 6.A O no hydrogen 3.002 N/A PHE 10.A N PRO 7.A O no hydrogen 3.150 N/A LYS 11.A N ARG 28.A O no hydrogen 2.879 N/A GLY 13.A N LEU 26.A O no hydrogen 2.703 N/A LEU 16.A N VAL 24.A O no hydrogen 2.667 N/A GLY 17.A N VAL 24.A O no hydrogen 3.370 N/A GLY 19.A N SER 22.A O no hydrogen 2.738 N/A THR 23.A N ILE 40.A O no hydrogen 2.944 N/A VAL 24.A N GLY 17.A O no hydrogen 2.891 N/A VAL 25.A N ILE 38.A O no hydrogen 2.839 N/A LEU 26.A N LYS 14.A O no hydrogen 2.870 N/A ALA 27.A N TYR 36.A O no hydrogen 2.923 N/A ARG 28.A N LYS 11.A O no hydrogen 2.965 N/A ARG 28.A NH1 SER 33.A O no hydrogen 2.654 N/A ARG 28.A NH1 SER 33.A OG.A no hydrogen 3.341 N/A GLU 29.A N ARG 34.A O no hydrogen 2.838 N/A LEU 30.A N ASP 9.A O no hydrogen 2.881 N/A THR 32.A N GLU 29.A O no hydrogen 3.435 N/A THR 32.A OG1 GLU 29.A OE1 no hydrogen 2.570 N/A SER 33.A N GLU 29.A O no hydrogen 2.791 N/A SER 33.A OG.B THR 32.A O no hydrogen 2.694 N/A ARG 34.A N THR 32.A OG1 no hydrogen 3.069 N/A TYR 36.A N ALA 27.A O no hydrogen 2.903 N/A ALA 37.A N LEU 87.A O no hydrogen 2.912 N/A ILE 38.A N VAL 25.A O no hydrogen 2.891 N/A LYS 39.A N PHE 85.A O no hydrogen 2.906 N/A LYS 39.A NZ GLU 58.A OE1 no hydrogen 3.264 N/A LYS 39.A NZ GLU 58.A OE2 no hydrogen 2.731 N/A ILE 40.A N THR 23.A O no hydrogen 2.678 N/A LEU 41.A N LEU 83.A O no hydrogen 2.949 N/A LYS 43.A N GLU 81.A O no hydrogen 2.761 N/A LYS 43.A NZ GLN 78.A OE1 no hydrogen 2.810 N/A LYS 43.A NZ ASP 79.A O no hydrogen 2.602 N/A LYS 43.A NZ ASP 80.A O no hydrogen 3.435 N/A ILE 46.A N GLU 42.A O no hydrogen 3.162 N/A ILE 47.A N LYS 43.A O no hydrogen 3.027 N/A LYS 48.A N ARG 44.A O no hydrogen 2.921 N/A LYS 48.A NZ HIS 45.A ND1 no hydrogen 3.418 N/A GLU 49.A N HIS 45.A O no hydrogen 3.053 N/A ASN 50.A N ILE 47.A O no hydrogen 3.013 N/A LYS 51.A N ILE 46.A O no hydrogen 2.833 N/A VAL 55.A N LYS 51.A O no hydrogen 2.922 N/A THR 56.A N VAL 52.A O no hydrogen 2.882 N/A THR 56.A OG1 VAL 52.A O no hydrogen 2.823 N/A ARG 57.A N PRO 53.A O no hydrogen 2.889 N/A ARG 57.A NH1 ALA 155.A O no hydrogen 3.358 N/A GLU 58.A N TYR 54.A O no hydrogen 2.883 N/A ARG 59.A N VAL 55.A O no hydrogen 3.118 N/A ASP 60.A N THR 56.A O no hydrogen 2.955 N/A VAL 61.A N ARG 57.A O no hydrogen 2.770 N/A MET 62.A N GLU 58.A O no hydrogen 2.968 N/A SER 63.A N ARG 59.A O no hydrogen 2.983 N/A ARG 64.A N VAL 61.A O no hydrogen 2.950 N/A ARG 64.A NH2 LYS 127.A O no hydrogen 3.109 N/A LEU 65.A N MET 62.A O no hydrogen 3.136 N/A ASP 66.A N TYR 123.A OH no hydrogen 2.919 N/A PHE 69.A N HIS 67.A ND1 no hydrogen 3.012 N/A PHE 70.A N HIS 67.A O no hydrogen 3.088 N/A VAL 71.A N ILE 149.A O no hydrogen 2.913 N/A LYS 72.A N SER 88.A OG no hydrogen 2.890 N/A TYR 74.A N GLY 86.A O no hydrogen 2.793 N/A PHE 77.A N TYR 84.A O no hydrogen 3.057 N/A ASP 79.A N LYS 82.A O no hydrogen 2.940 N/A GLU 81.A N ASP 79.A OD1 no hydrogen 3.157 N/A LYS 82.A N ASP 79.A OD1 no hydrogen 2.844 N/A LEU 83.A N LEU 41.A O no hydrogen 2.792 N/A TYR 84.A N PHE 77.A O no hydrogen 2.843 N/A TYR 84.A OH ASP 79.A OD2 no hydrogen 2.778 N/A PHE 85.A N LYS 39.A O no hydrogen 2.844 N/A GLY 86.A N PHE 75.A O no hydrogen 2.774 N/A LEU 87.A N ALA 37.A O no hydrogen 2.818 N/A SER 88.A N LYS 72.A O no hydrogen 3.047 N/A ASN 92.A N LEU 141.A O no hydrogen 2.887 N/A ASN 92.A ND2 ASN 142.A O no hydrogen 2.728 N/A ASN 92.A ND2 GLU 143.A O no hydrogen 3.321 N/A GLY 93.A N ALA 90.A O no hydrogen 3.301 N/A LEU 95.A N ILE 139.A O no hydrogen 2.844 N/A LEU 96.A N PRO 136.A O no hydrogen 3.340 N/A LYS 97.A N GLU 94.A O no hydrogen 2.881 N/A LYS 97.A NZ ASN 92.A O no hydrogen 3.132 N/A LYS 97.A NZ TYR 98.A OH no hydrogen 2.959 N/A TYR 98.A OH ASN 92.A O no hydrogen 3.420 N/A ILE 99.A N LEU 95.A O no hydrogen 3.011 N/A ARG 100.A N LEU 96.A O no hydrogen 3.072 N/A LYS 101.A N LYS 97.A O no hydrogen 2.952 N/A ILE 102.A N TYR 98.A O no hydrogen 3.011 N/A GLY 103.A N ILE 99.A O no hydrogen 2.720 N/A SER 104.A OG VAL 194.A O no hydrogen 3.559 N/A PHE 105.A N LEU 193.A O no hydrogen 2.870 N/A CYS 109.A N ASP 106.A OD1 no hydrogen 2.881 N/A CYS 109.A SG ASP 106.A OD1 no hydrogen 3.479 N/A CYS 109.A SG LYS 275.A O no hydrogen 3.394 N/A THR 110.A N ASP 106.A O no hydrogen 2.951 N/A THR 110.A OG1 PHE 105.A O no hydrogen 3.444 N/A THR 110.A OG1 ASP 106.A O no hydrogen 2.851 N/A ARG 111.A N GLU 107.A O no hydrogen 2.920 N/A ARG 111.A NE PHE 259.A O no hydrogen 2.767 N/A ARG 111.A NH2 PHE 259.A O no hydrogen 3.405 N/A PHE 112.A N THR 108.A O no hydrogen 3.037 N/A TYR 113.A N CYS 109.A O no hydrogen 3.000 N/A TYR 113.A OH MET 145.A O no hydrogen 2.578 N/A THR 114.A N THR 110.A O no hydrogen 2.849 N/A THR 114.A OG1 THR 110.A O no hydrogen 2.866 N/A ALA 115.A N ARG 111.A O no hydrogen 2.890 N/A GLU 116.A N PHE 112.A O no hydrogen 3.046 N/A ILE 117.A N TYR 113.A O no hydrogen 3.064 N/A VAL 118.A N THR 114.A O no hydrogen 2.882 N/A SER 119.A N ALA 115.A O no hydrogen 2.883 N/A ALA 120.A N GLU 116.A O no hydrogen 2.885 N/A LEU 121.A N ILE 117.A O no hydrogen 2.885 N/A GLU 122.A N VAL 118.A O no hydrogen 2.861 N/A TYR 123.A N SER 119.A O no hydrogen 3.183 N/A LEU 124.A N ALA 120.A O no hydrogen 2.827 N/A HIS 125.A N LEU 121.A O no hydrogen 2.744 N/A HIS 125.A NE2 ASP 182.A OD2 no hydrogen 2.752 N/A GLY 126.A N GLU 122.A O no hydrogen 2.979 N/A LYS 127.A N LEU 124.A O no hydrogen 2.981 N/A GLY 128.A N HIS 125.A O no hydrogen 2.932 N/A ILE 129.A N LEU 124.A O no hydrogen 3.260 N/A ILE 130.A N LYS 156.A O no hydrogen 2.916 N/A HIS 131.A N ASP 182.A OD2 no hydrogen 2.846 N/A HIS 131.A NE2 THR 150.A O no hydrogen 2.927 N/A ARG 132.A N ASP 182.A OD1 no hydrogen 2.968 N/A ARG 132.A NE THR 154.A O no hydrogen 2.686 N/A ARG 132.A NH2 THR 154.A O no hydrogen 2.782 N/A ASP 133.A N HIS 131.A ND1 no hydrogen 3.017 N/A LYS 135.A N ASN 138.A OD1 no hydrogen 3.356 N/A LYS 135.A NZ GLU 137.A OE1 no hydrogen 3.162 N/A LYS 135.A NZ THR 163.A OG1 no hydrogen 2.629 N/A ASN 138.A N LYS 135.A O no hydrogen 2.960 N/A ASN 138.A ND2 ASP 133.A O no hydrogen 2.853 N/A ASN 138.A ND2 ASP 151.A OD2 no hydrogen 3.365 N/A LEU 140.A N GLN 148.A O no hydrogen 2.897 N/A LEU 141.A N GLY 93.A O no hydrogen 2.724 N/A ASN 142.A N HIS 146.A O no hydrogen 2.843 N/A ASN 142.A ND2 GLN 148.A OE1 no hydrogen 2.438 N/A MET 145.A N ASN 142.A O no hydrogen 2.846 N/A HIS 146.A N ASP 144.A OD1 no hydrogen 2.922 N/A HIS 146.A ND1 GLU 116.A OE2 no hydrogen 2.601 N/A ILE 147.A N GLU 116.A OE1 no hydrogen 3.126 N/A GLN 148.A N LEU 140.A O no hydrogen 2.789 N/A GLN 148.A NE2 SER 88.A O no hydrogen 3.310 N/A ILE 149.A N PHE 69.A O no hydrogen 2.803 N/A THR 150.A N ASN 138.A O no hydrogen 2.935 N/A ASP 151.A N THR 150.A OG1 no hydrogen 2.594 N/A ALA 155.A N PHE 152.A O no hydrogen 3.092 N/A LYS 156.A N ILE 130.A O no hydrogen 2.897 N/A LEU 158.A N GLY 128.A O no hydrogen 2.839 N/A THR 163.A N ASP 133.A OD1 no hydrogen 2.958 N/A THR 163.A OG1 ASP 133.A OD1 no hydrogen 3.036 N/A TYR 166.A N THR 163.A O no hydrogen 2.875 N/A TYR 166.A OH GLN 192.A OE1 no hydrogen 2.449 N/A VAL 167.A N ALA 164.A O no hydrogen 3.256 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.713 N/A LEU 171.A N SER 168.A O no hydrogen 3.128 N/A LEU 172.A N PRO 169.A O no hydrogen 2.991 N/A THR 173.A N PRO 169.A O no hydrogen 3.077 N/A THR 173.A N GLU 170.A O no hydrogen 3.348 N/A THR 173.A OG1 PRO 169.A O no hydrogen 3.318 N/A LYS 175.A N LEU 171.A O no hydrogen 3.247 N/A SER 176.A OG GLU 174.A OE1 no hydrogen 2.759 N/A CYS 178.A N SER 181.A OG no hydrogen 3.165 N/A LYS 179.A NZ HIS 125.A O no hydrogen 2.807 N/A LYS 179.A NZ GLU 246.A OE2 no hydrogen 3.349 N/A SER 180.A OG ALA 239.A O no hydrogen 2.677 N/A SER 181.A N CYS 178.A O no hydrogen 3.003 N/A SER 181.A OG GLU 170.A OE2 no hydrogen 2.991 N/A SER 181.A OG CYS 178.A O no hydrogen 3.150 N/A ASP 182.A N LYS 179.A O no hydrogen 2.837 N/A LEU 183.A N LYS 179.A O no hydrogen 3.392 N/A TRP 184.A N SER 180.A O no hydrogen 3.015 N/A ALA 185.A N SER 181.A O no hydrogen 3.265 N/A LEU 186.A N ASP 182.A O no hydrogen 2.870 N/A GLY 187.A N LEU 183.A O no hydrogen 3.007 N/A CYS 188.A N TRP 184.A O no hydrogen 3.024 N/A CYS 188.A SG GLN 165.A O no hydrogen 3.927 N/A CYS 188.A SG TRP 184.A O no hydrogen 3.706 N/A ILE 189.A N ALA 185.A O no hydrogen 2.920 N/A ILE 190.A N LEU 186.A O no hydrogen 2.949 N/A TYR 191.A N GLY 187.A O no hydrogen 3.195 N/A TYR 191.A OH ASP 218.A O no hydrogen 2.625 N/A GLN 192.A N CYS 188.A O no hydrogen 2.921 N/A LEU 193.A N ILE 189.A O no hydrogen 2.843 N/A VAL 194.A N ILE 190.A O no hydrogen 3.018 N/A ALA 195.A N TYR 191.A O no hydrogen 2.738 N/A GLY 196.A N GLN 192.A O no hydrogen 2.761 N/A ARG 201.A NH1 PRO 198.A O no hydrogen 2.811 N/A LEU 207.A N ASN 204.A OD1 no hydrogen 2.845 N/A ILE 208.A N ASN 204.A O no hydrogen 3.171 N/A PHE 209.A N GLU 205.A O no hydrogen 2.844 N/A GLN 210.A N TYR 206.A O no hydrogen 3.041 N/A LYS 211.A N LEU 207.A O no hydrogen 3.175 N/A LYS 211.A NZ ARG 201.A O no hydrogen 2.830 N/A ILE 212.A N ILE 208.A O no hydrogen 2.943 N/A ILE 213.A N PHE 209.A O no hydrogen 3.071 N/A LYS 214.A N GLN 210.A O no hydrogen 3.143 N/A LEU 215.A N ILE 212.A O no hydrogen 3.014 N/A GLU 216.A N LYS 211.A O no hydrogen 2.822 N/A PHE 223.A N PRO 220.A O no hydrogen 3.259 N/A ARG 228.A N PHE 224.A O no hydrogen 2.846 N/A ARG 228.A NE GLU 232.A OE2 no hydrogen 3.062 N/A ARG 228.A NH2 GLU 232.A OE2 no hydrogen 3.507 N/A ASP 229.A N PRO 225.A O no hydrogen 2.917 N/A LEU 230.A N LYS 226.A O no hydrogen 3.040 N/A VAL 231.A N ALA 227.A O no hydrogen 2.954 N/A GLU 232.A N ARG 228.A O no hydrogen 2.901 N/A LYS 233.A N ASP 229.A O no hydrogen 3.186 N/A LYS 233.A N LEU 230.A O no hydrogen 2.972 N/A LEU 234.A N VAL 231.A O no hydrogen 3.023 N/A LEU 235.A N VAL 231.A O no hydrogen 2.883 N/A VAL 236.A N LEU 234.A O no hydrogen 2.921 N/A THR 240.A N ASP 238.A OD1 no hydrogen 2.940 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.854 N/A THR 240.A OG1 ASP 238.A OD2 no hydrogen 3.347 N/A LYS 241.A N ASP 238.A O no hydrogen 2.989 N/A ARG 242.A NE VAL 236.A O no hydrogen 2.840 N/A ARG 242.A NH1 GLU 170.A OE1 no hydrogen 3.449 N/A ARG 242.A NH1 GLU 170.A OE2 no hydrogen 2.788 N/A ARG 242.A NH1 SER 180.A O no hydrogen 2.862 N/A ARG 242.A NH2 GLU 170.A OE1 no hydrogen 2.714 N/A ARG 242.A NH2 VAL 236.A O no hydrogen 3.104 N/A LEU 243.A N LYS 233.A O no hydrogen 3.135 N/A CYS 245.A N ARG 242.A O no hydrogen 3.102 N/A CYS 245.A SG ALA 239.A O no hydrogen 3.736 N/A CYS 245.A SG THR 240.A O no hydrogen 3.451 N/A CYS 245.A SG ARG 242.A O no hydrogen 3.217 N/A CYS 245.A SG GLU 247.A OE1 no hydrogen 3.198 N/A GLU 247.A N GLU 247.A OE1 no hydrogen 2.768 N/A MET 248.A N CYS 245.A O no hydrogen 2.915 N/A GLU 249.A N GLU 246.A O no hydrogen 2.818 N/A GLY 250.A N CYS 245.A O no hydrogen 2.891 N/A TYR 251.A OH HIS 125.A ND1 no hydrogen 2.620 N/A LYS 255.A N TYR 251.A O no hydrogen 2.821 N/A LYS 255.A NZ GLU 122.A OE1 no hydrogen 2.816 N/A ALA 256.A N GLY 252.A O no hydrogen 2.924 N/A HIS 257.A N LEU 254.A O no hydrogen 3.073 N/A HIS 257.A NE2 ASP 229.A OD1 no hydrogen 2.740 N/A PHE 259.A N HIS 257.A ND1 no hydrogen 3.000 N/A PHE 260.A N HIS 257.A O no hydrogen 2.837 N/A GLU 261.A N PRO 258.A O no hydrogen 3.109 N/A VAL 263.A N PHE 260.A O no hydrogen 2.902 N/A GLN 270.A N ASN 267.A O no hydrogen 2.845 N/A GLN 271.A N LEU 268.A O no hydrogen 2.932 N/A GLN 271.A NE2 THR 264.A O no hydrogen 2.822 N/A GLN 271.A NE2 ASN 267.A OD1 no hydrogen 2.920 N/A