Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ny3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N GLU 113.A OE1 no hydrogen 2.974 N/A LYS 6.A N PHE 288.A O no hydrogen 2.942 N/A LYS 7.A NZ HIS 285.A ND1 no hydrogen 3.125 N/A HIS 10.A N ASP 14.A OD2 no hydrogen 2.899 N/A THR 11.A N ASP 14.A OD2 no hydrogen 3.013 N/A THR 11.A OG1 ASP 14.A OD2 no hydrogen 3.439 N/A ASP 14.A N THR 11.A O no hydrogen 2.911 N/A MET 15.A N VAL 12.A O no hydrogen 3.006 N/A TRP 18.A N ASP 14.A O no hydrogen 3.187 N/A TRP 18.A NE1 LEU 277.A O no hydrogen 2.624 N/A LYS 19.A N MET 15.A O no hydrogen 2.990 N/A ARG 20.A N GLY 16.A O no hydrogen 3.113 N/A SER 21.A N TRP 18.A O no hydrogen 3.028 N/A SER 21.A OG TRP 18.A O no hydrogen 2.675 N/A GLN 22.A N HIS 295.A O no hydrogen 2.845 N/A GLN 22.A NE2 ASP 26.A OD1 no hydrogen 3.025 N/A ALA 23.A N PRO 293.A O no hydrogen 3.000 N/A TYR 24.A N SER 21.A OG no hydrogen 3.003 N/A ALA 25.A N SER 21.A O no hydrogen 3.277 N/A ASP 26.A N GLN 22.A O no hydrogen 2.819 N/A TYR 27.A N ALA 23.A O no hydrogen 2.733 N/A TYR 27.A OH TYR 272.A OH no hydrogen 2.622 N/A ILE 28.A N TYR 24.A O no hydrogen 2.951 N/A GLY 29.A N ALA 25.A O no hydrogen 3.111 N/A PHE 30.A N ASP 26.A O no hydrogen 2.988 N/A ILE 31.A N TYR 27.A O no hydrogen 3.033 N/A LEU 32.A N ILE 28.A O no hydrogen 2.958 N/A THR 33.A N GLY 29.A O no hydrogen 2.945 N/A THR 33.A OG1 GLY 29.A O no hydrogen 2.851 N/A LEU 34.A N PHE 30.A O no hydrogen 3.015 N/A ASN 35.A N ILE 31.A O no hydrogen 3.007 N/A ASN 35.A ND2 ASN 265.A OD1 no hydrogen 2.968 N/A GLU 36.A N LEU 32.A O no hydrogen 3.022 N/A GLY 37.A N THR 33.A O no hydrogen 3.066 N/A VAL 38.A N LEU 34.A O no hydrogen 3.196 N/A LYS 39.A N GLU 36.A O no hydrogen 3.258 N/A LYS 39.A NZ GLU 36.A OE1 no hydrogen 2.890 N/A LYS 39.A NZ GLU 36.A OE2 no hydrogen 3.457 N/A GLY 40.A N SER 202.A O no hydrogen 2.920 N/A LYS 41.A N VAL 38.A O no hydrogen 3.072 N/A LYS 42.A NZ ASP 227.A OD2 no hydrogen 3.442 N/A LYS 42.A NZ TYR 228.A OH no hydrogen 3.163 N/A LEU 43.A N ASP 227.A O no hydrogen 2.899 N/A PHE 45.A N LYS 42.A O no hydrogen 2.975 N/A SER 50.A OG ASP 155.A OD1 no hydrogen 2.865 N/A ILE 53.A N SER 50.A OG no hydrogen 3.404 N/A GLU 54.A N SER 50.A O no hydrogen 3.155 N/A LYS 55.A N GLU 51.A O no hydrogen 2.965 N/A LYS 55.A NZ THR 101.A O no hydrogen 3.473 N/A LEU 56.A N ALA 52.A O no hydrogen 2.973 N/A VAL 57.A N ILE 53.A O no hydrogen 2.945 N/A ALA 58.A N GLU 54.A O no hydrogen 2.913 N/A LEU 59.A N LYS 55.A O no hydrogen 2.876 N/A LEU 60.A N LEU 56.A O no hydrogen 3.059 N/A ASN 61.A N VAL 57.A O no hydrogen 2.885 N/A THR 62.A N ALA 58.A O no hydrogen 2.950 N/A THR 62.A OG1 ALA 58.A O no hydrogen 3.099 N/A LEU 63.A N LEU 59.A O no hydrogen 3.154 N/A ASP 64.A N LEU 60.A O no hydrogen 2.926 N/A ARG 65.A N ASN 61.A O no hydrogen 2.894 N/A ARG 65.A NH1 GLU 69.A OE2 no hydrogen 2.891 N/A TRP 66.A N THR 62.A O no hydrogen 3.047 N/A ILE 67.A N LEU 63.A O no hydrogen 3.237 N/A ASP 68.A N ASP 64.A O no hydrogen 3.281 N/A GLU 69.A N ARG 65.A O no hydrogen 2.981 N/A THR 70.A N ILE 67.A O no hydrogen 2.976 N/A THR 70.A OG1 TRP 66.A O no hydrogen 2.673 N/A VAL 73.A N ASN 81.A OD1 no hydrogen 2.974 N/A GLN 75.A NE2 SER 77.A O no hydrogen 3.414 N/A GLN 75.A NE2 GLY 80.A O no hydrogen 2.855 N/A PHE 79.A N SER 77.A OG no hydrogen 3.262 N/A ASN 81.A N TYR 178.A O no hydrogen 2.769 N/A ASN 81.A ND2 VAL 73.A O no hydrogen 2.828 N/A LYS 82.A N GLN 75.A OE1 no hydrogen 2.879 N/A ALA 83.A N ASN 81.A OD1 no hydrogen 3.045 N/A TYR 84.A N ASN 81.A O no hydrogen 2.994 N/A TYR 84.A OH VAL 122.A O no hydrogen 2.572 N/A ARG 85.A N LYS 82.A O no hydrogen 3.033 N/A ARG 85.A NE SER 125.A O no hydrogen 2.800 N/A ARG 85.A NH2 THR 126.A O no hydrogen 2.853 N/A TRP 87.A N ALA 83.A O no hydrogen 3.022 N/A TRP 87.A NE1 LEU 63.A O no hydrogen 3.133 N/A TYR 88.A N TYR 84.A O no hydrogen 2.697 N/A TYR 88.A OH LYS 119.A O no hydrogen 2.711 N/A ALA 89.A N ARG 85.A O no hydrogen 3.054 N/A LYS 90.A N THR 86.A O no hydrogen 3.355 N/A LYS 90.A N TRP 87.A O no hydrogen 3.075 N/A LEU 91.A N TRP 87.A O no hydrogen 3.200 N/A ASP 92.A N TYR 88.A O no hydrogen 2.741 N/A GLU 93.A N ALA 89.A O no hydrogen 3.091 N/A GLU 94.A N LYS 90.A O no hydrogen 3.056 N/A GLU 94.A N LEU 91.A O no hydrogen 3.176 N/A ASN 97.A ND2 GLU 94.A OE1 no hydrogen 2.971 N/A LEU 98.A N GLU 94.A O no hydrogen 2.901 N/A VAL 99.A N ALA 95.A O no hydrogen 2.919 N/A ALA 100.A N GLU 96.A O no hydrogen 2.906 N/A THR 101.A N LEU 98.A O no hydrogen 3.054 N/A THR 101.A OG1 LEU 98.A O no hydrogen 2.555 N/A VAL 102.A N VAL 99.A O no hydrogen 2.971 N/A VAL 103.A N VAL 99.A O no hydrogen 2.998 N/A LEU 107.A N PRO 104.A O no hydrogen 2.968 N/A ALA 108.A N THR 105.A O no hydrogen 3.061 N/A ALA 110.A N LEU 107.A O no hydrogen 2.899 N/A VAL 111.A N ALA 108.A O no hydrogen 3.033 N/A VAL 114.A N ALA 110.A O no hydrogen 3.010 N/A ALA 115.A N VAL 111.A O no hydrogen 2.842 N/A VAL 116.A N GLU 113.A O no hydrogen 3.273 N/A TYR 117.A N VAL 114.A O no hydrogen 3.165 N/A TYR 117.A OH LYS 287.A O no hydrogen 2.652 N/A LYS 119.A N ALA 115.A O no hydrogen 2.976 N/A GLU 120.A N TYR 117.A O no hydrogen 3.183 N/A SER 121.A N LEU 118.A O no hydrogen 3.091 N/A SER 121.A OG.A TYR 117.A O no hydrogen 2.306 N/A SER 121.A OG.B LEU 118.A O no hydrogen 2.777 N/A ASN 124.A N ASP 129.A O no hydrogen 2.838 N/A ARG 127.A N ASN 124.A OD1 no hydrogen 2.811 N/A ASP 129.A N ASN 124.A O no hydrogen 3.386 N/A TYR 130.A N GLU 181.A O no hydrogen 3.012 N/A TYR 130.A OH TYR 167.A OH no hydrogen 2.661 N/A GLY 131.A N HIS 134.A ND1 no hydrogen 3.023 N/A HIS 134.A N GLY 131.A O no hydrogen 3.049 N/A GLU 135.A N GLY 131.A O no hydrogen 3.349 N/A ALA 136.A N THR 132.A O no hydrogen 2.924 N/A ALA 137.A N GLY 133.A O no hydrogen 3.037 N/A PHE 138.A N HIS 134.A O no hydrogen 3.107 N/A ALA 139.A N GLU 135.A O no hydrogen 3.136 N/A ALA 140.A N ALA 136.A O no hydrogen 2.826 N/A PHE 141.A N ALA 137.A O no hydrogen 2.835 N/A LEU 142.A N PHE 138.A O no hydrogen 3.021 N/A CYS 143.A N ALA 139.A O no hydrogen 2.773 N/A CYS 144.A N ALA 140.A O no hydrogen 2.890 N/A CYS 144.A SG ALA 140.A O no hydrogen 3.394 N/A LEU 145.A N PHE 141.A O no hydrogen 3.222 N/A CYS 146.A N LEU 142.A O no hydrogen 3.106 N/A CYS 146.A SG LEU 142.A O no hydrogen 3.541 N/A LYS 147.A N CYS 143.A O no hydrogen 2.956 N/A LYS 147.A NZ ASP 26.A OD2 no hydrogen 2.665 N/A LYS 147.A NZ LEU 291.A O no hydrogen 3.140 N/A ILE 148.A N CYS 144.A O no hydrogen 3.100 N/A GLY 149.A N CYS 146.A O no hydrogen 3.008 N/A VAL 150.A N LEU 145.A O no hydrogen 2.903 N/A LEU 151.A N LEU 145.A O no hydrogen 3.116 N/A ARG 152.A N ASP 155.A OD2 no hydrogen 2.788 N/A ARG 152.A NE GLY 149.A O no hydrogen 2.749 N/A ASP 155.A N ARG 152.A O no hydrogen 2.830 N/A GLN 156.A N VAL 153.A O no hydrogen 3.206 N/A GLN 156.A NE2.A VAL 153.A O no hydrogen 3.597 N/A ILE 159.A N ASP 155.A O no hydrogen 2.811 N/A VAL 160.A N ILE 157.A O no hydrogen 3.168 N/A PHE 161.A N ILE 157.A O no hydrogen 2.861 N/A LYS 162.A N ALA 158.A O no hydrogen 2.882 N/A VAL 163.A N ALA 158.A O no hydrogen 3.006 N/A PHE 164.A N ILE 159.A O no hydrogen 2.816 N/A ASN 165.A N VAL 160.A O no hydrogen 3.099 N/A ARG 166.A N LYS 162.A O no hydrogen 3.098 N/A ARG 166.A NE ASN 61.A OD1 no hydrogen 2.829 N/A ARG 166.A NH1 GLU 169.A OE1 no hydrogen 2.977 N/A ARG 166.A NH2 ASN 61.A OD1 no hydrogen 2.931 N/A TYR 167.A N VAL 163.A O no hydrogen 2.856 N/A TYR 167.A OH SER 121.A O no hydrogen 2.601 N/A TYR 167.A OH TYR 130.A OH no hydrogen 2.661 N/A LEU 168.A N PHE 164.A O no hydrogen 2.917 N/A GLU 169.A N ASN 165.A O no hydrogen 3.284 N/A VAL 170.A N ARG 166.A O no hydrogen 3.068 N/A MET 171.A N TYR 167.A O no hydrogen 2.845 N/A ARG 172.A N LEU 168.A O no hydrogen 2.908 N/A LYS 173.A N GLU 169.A O no hydrogen 3.108 N/A LYS 173.A NZ ASP 64.A OD1 no hydrogen 3.008 N/A LYS 173.A NZ ASP 68.A OD1 no hydrogen 2.691 N/A LEU 174.A N VAL 170.A O no hydrogen 2.883 N/A GLN 175.A N MET 171.A O no hydrogen 2.817 N/A GLN 175.A NE2 GLN 193.A OE1 no hydrogen 2.992 N/A LYS 176.A N ARG 172.A O no hydrogen 2.925 N/A THR 177.A N LYS 173.A O no hydrogen 2.792 N/A THR 177.A OG1 LYS 173.A O no hydrogen 2.799 N/A TYR 178.A N LEU 174.A O no hydrogen 2.883 N/A TYR 178.A OH THR 70.A O no hydrogen 2.516 N/A ARG 179.A N LYS 176.A O no hydrogen 3.310 N/A ARG 179.A NH1 THR 177.A O no hydrogen 2.780 N/A MET 180.A N GLN 175.A O no hydrogen 3.043 N/A GLU 181.A N ILE 128.A O no hydrogen 3.126 N/A ALA 183.A N TYR 130.A O no hydrogen 2.917 N/A GLY 188.A N GLY 185.A O no hydrogen 3.008 N/A PHE 192.A N ASP 190.A OD2 no hydrogen 2.862 N/A GLN 193.A N ASP 190.A OD2 no hydrogen 2.740 N/A GLN 193.A NE2 TYR 130.A OH no hydrogen 3.254 N/A GLN 193.A NE2 GLU 135.A OE2 no hydrogen 2.839 N/A PHE 194.A N GLU 135.A OE1 no hydrogen 3.157 N/A PHE 194.A N GLU 135.A OE2 no hydrogen 2.948 N/A LEU 195.A N GLU 135.A OE1 no hydrogen 2.800 N/A PHE 197.A N PHE 194.A O no hydrogen 2.846 N/A TRP 199.A N LEU 195.A O no hydrogen 3.000 N/A TRP 199.A NE1 ILE 31.A O no hydrogen 3.002 N/A GLY 200.A N PRO 196.A O no hydrogen 2.856 N/A SER 201.A N PHE 197.A O no hydrogen 3.026 N/A SER 201.A OG PHE 197.A O no hydrogen 2.901 N/A SER 201.A OG ILE 198.A O no hydrogen 2.744 N/A SER 202.A N ILE 198.A O no hydrogen 3.127 N/A SER 202.A OG ASN 35.A O no hydrogen 2.660 N/A GLN 203.A N TRP 199.A O no hydrogen 3.127 N/A GLN 203.A NE2 LYS 41.A O no hydrogen 2.787 N/A GLN 203.A NE2 ASP 227.A O no hydrogen 3.154 N/A LEU 204.A N SER 201.A O no hydrogen 3.199 N/A ILE 205.A N SER 202.A O no hydrogen 3.303 N/A HIS 207.A N LEU 204.A O no hydrogen 3.049 N/A TYR 209.A N HIS 207.A ND1 no hydrogen 3.110 N/A TYR 209.A OH ASN 224.A OD1 no hydrogen 3.046 N/A LEU 210.A N HIS 207.A ND1 no hydrogen 2.925 N/A GLU 211.A N HIS 214.A ND1 no hydrogen 2.879 N/A ARG 213.A NE GLU 211.A OE1 no hydrogen 2.810 N/A ARG 213.A NH2 GLU 211.A OE2 no hydrogen 3.098 N/A HIS 214.A N GLU 211.A O no hydrogen 2.858 N/A PHE 215.A N PRO 212.A O no hydrogen 3.082 N/A ASP 217.A N HIS 214.A O no hydrogen 3.021 N/A LYS 219.A N ASP 217.A OD1 no hydrogen 3.178 N/A ALA 220.A N ASP 217.A OD2 no hydrogen 3.321 N/A VAL 221.A N ASP 217.A O no hydrogen 3.083 N/A ASN 222.A N GLU 218.A O no hydrogen 2.885 N/A GLU 223.A N LYS 219.A O no hydrogen 3.015 N/A ASN 224.A N VAL 221.A O no hydrogen 3.247 N/A ASN 224.A ND2 ALA 220.A O no hydrogen 2.919 N/A HIS 225.A N VAL 221.A O no hydrogen 2.887 N/A HIS 225.A ND1 GLU 232.A OE1 no hydrogen 2.709 N/A ASP 227.A N ASN 224.A O no hydrogen 3.108 N/A TYR 228.A N HIS 225.A O no hydrogen 3.283 N/A MET 229.A N GLN 203.A OE1 no hydrogen 2.915 N/A GLU 232.A N TYR 228.A O no hydrogen 3.024 N/A CYS 233.A N MET 229.A O no hydrogen 3.133 N/A CYS 233.A SG MET 229.A O no hydrogen 3.442 N/A ILE 234.A N PHE 230.A O no hydrogen 3.201 N/A LEU 235.A N LEU 231.A O no hydrogen 2.942 N/A PHE 236.A N GLU 232.A O no hydrogen 3.073 N/A ILE 237.A N CYS 233.A O no hydrogen 3.109 N/A THR 238.A N ILE 234.A O no hydrogen 2.941 N/A THR 238.A OG1 ILE 234.A O no hydrogen 3.377 N/A THR 238.A OG1 LEU 235.A O no hydrogen 3.109 N/A GLU 239.A N LEU 235.A O no hydrogen 3.104 N/A GLU 239.A N PHE 236.A O no hydrogen 3.341 N/A MET 240.A N PHE 236.A O no hydrogen 2.993 N/A MET 240.A N ILE 237.A O no hydrogen 3.021 N/A LYS 241.A NZ ASP 191.A OD1 no hydrogen 3.084 N/A LYS 241.A NZ ASP 191.A OD2 no hydrogen 3.186 N/A LYS 241.A NZ HIS 248.A O no hydrogen 3.564 N/A GLU 247.A N PRO 244.A O no hydrogen 2.981 N/A HIS 248.A N PRO 244.A O no hydrogen 3.363 N/A HIS 248.A ND1 SER 249.A OG no hydrogen 2.713 N/A SER 249.A N PHE 245.A O no hydrogen 2.859 N/A SER 249.A OG HIS 248.A ND1 no hydrogen 2.713 N/A ASN 250.A ND2 VAL 186.A O no hydrogen 3.302 N/A GLN 251.A NE2 TRP 187.A O no hydrogen 2.848 N/A TRP 253.A N SER 249.A O no hydrogen 2.896 N/A ASN 254.A N ASN 250.A O no hydrogen 3.101 N/A ASN 254.A ND2 ASN 250.A O no hydrogen 2.712 N/A ASN 254.A ND2 ASN 250.A OD1 no hydrogen 3.286 N/A ILE 255.A N GLN 251.A O no hydrogen 3.023 N/A SER 256.A N LEU 252.A O no hydrogen 3.092 N/A SER 256.A N TRP 253.A O no hydrogen 3.261 N/A SER 256.A OG TRP 253.A O no hydrogen 2.465 N/A ALA 257.A N ASN 254.A O no hydrogen 3.197 N/A VAL 258.A N ILE 255.A O no hydrogen 2.999 N/A SER 260.A OG SER 262.A OG.B no hydrogen 2.503 N/A TRP 261.A NE1 LEU 210.A O no hydrogen 2.868 N/A SER 262.A OG.B SER 260.A OG no hydrogen 2.503 N/A LYS 263.A N SER 260.A OG no hydrogen 3.087 N/A LYS 263.A NZ GLN 266.A OE1 no hydrogen 2.937 N/A VAL 264.A N SER 260.A O no hydrogen 3.035 N/A ASN 265.A N TRP 261.A O no hydrogen 2.774 N/A ASN 265.A ND2 ASN 35.A OD1 no hydrogen 3.083 N/A ASN 265.A ND2 SER 201.A OG no hydrogen 2.971 N/A GLN 266.A N SER 262.A O no hydrogen 3.049 N/A GLY 267.A N LYS 263.A O no hydrogen 2.861 N/A LEU 268.A N VAL 264.A O no hydrogen 2.842 N/A ILE 269.A N ASN 265.A O no hydrogen 3.156 N/A ARG 270.A N GLN 266.A O no hydrogen 3.219 N/A MET 271.A N GLY 267.A O no hydrogen 2.871 N/A TYR 272.A N LEU 268.A O no hydrogen 2.760 N/A TYR 272.A OH TYR 27.A OH no hydrogen 2.622 N/A LYS 273.A N ILE 269.A O no hydrogen 3.106 N/A ALA 274.A N ARG 270.A O no hydrogen 3.172 N/A GLU 275.A N MET 271.A O no hydrogen 2.659 N/A CYS 276.A N TYR 272.A O no hydrogen 2.985 N/A CYS 276.A SG THR 132.A OG1 no hydrogen 3.546 N/A LEU 277.A N TYR 272.A O no hydrogen 3.068 N/A LYS 279.A N CYS 276.A O no hydrogen 3.309 N/A LYS 279.A NZ GLU 275.A OE1 no hydrogen 3.150 N/A VAL 282.A N LYS 279.A O no hydrogen 3.066 N/A ILE 283.A N LYS 279.A O no hydrogen 3.009 N/A GLN 284.A N PHE 280.A O no hydrogen 2.922 N/A GLN 284.A NE2 PRO 281.A O no hydrogen 3.389 N/A HIS 285.A N VAL 282.A O no hydrogen 3.226 N/A PHE 286.A N ILE 283.A O no hydrogen 2.909 N/A LYS 287.A NZ GLU 120.A OE2 no hydrogen 3.179 N/A PHE 288.A N LYS 6.A O no hydrogen 2.743 N/A GLY 289.A N LEU 292.A O no hydrogen 3.258 N/A SER 290.A N GLU 113.A OE2 no hydrogen 2.860 N/A SER 290.A OG GLU 113.A OE1 no hydrogen 2.682 N/A SER 290.A OG GLU 113.A OE2 no hydrogen 3.278 N/A LEU 291.A N GLU 113.A OE2 no hydrogen 2.839 N/A HIS 295.A ND1 PRO 296.A O no hydrogen 2.768 N/A VAL 297.A N ARG 20.A O no hydrogen 2.858 N/A THR 298.A N GLN 22.A OE1 no hydrogen 2.825 N/A THR 298.A OG1 GLN 22.A OE1 no hydrogen 3.210 N/A