Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3llw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG GLU 277.A OE1 no hydrogen 2.936 N/A SER 4.A OG GLU 277.A OE2 no hydrogen 3.265 N/A ASN 6.A ND2 LEU 274.A O no hydrogen 3.348 N/A ASN 6.A ND2 GLU 277.A OE1 no hydrogen 3.289 N/A SER 8.A N SER 4.A O no hydrogen 2.891 N/A PHE 9.A N PRO 5.A O no hydrogen 2.791 N/A TYR 10.A N ASN 6.A O no hydrogen 3.097 N/A TYR 10.A OH LYS 53.A O no hydrogen 2.795 N/A TYR 11.A N LEU 7.A O no hydrogen 3.119 N/A ASN 12.A N SER 8.A O no hydrogen 3.268 N/A GLU 13.A N PHE 9.A O no hydrogen 3.066 N/A CYS 14.A N TYR 10.A O no hydrogen 3.101 N/A CYS 14.A SG TYR 10.A O no hydrogen 3.393 N/A GLU 15.A N TYR 11.A O no hydrogen 3.348 N/A ARG 16.A N ASN 12.A O no hydrogen 2.936 N/A ARG 16.A NH1 GLU 13.A OE2 no hydrogen 3.221 N/A PHE 17.A N GLU 13.A O no hydrogen 2.722 N/A GLU 18.A N CYS 14.A O no hydrogen 3.225 N/A SER 19.A N GLU 15.A O no hydrogen 3.314 N/A PHE 20.A N ARG 16.A O no hydrogen 3.272 N/A LEU 21.A N PHE 17.A O no hydrogen 3.119 N/A LYS 22.A N GLU 18.A O no hydrogen 3.203 N/A ASN 23.A N SER 19.A O no hydrogen 2.934 N/A HIS 24.A N LEU 21.A O no hydrogen 3.374 N/A HIS 24.A NE2 TYR 129.A OH no hydrogen 2.791 N/A LEU 28.A N GLU 36.A OE2 no hydrogen 2.957 N/A HIS 32.A N SER 30.A OG no hydrogen 3.054 N/A TYR 34.A N HIS 32.A ND1 no hydrogen 3.235 N/A TYR 34.A OH THR 118.A OG1 no hydrogen 3.405 N/A LEU 35.A N HIS 32.A ND1 no hydrogen 3.173 N/A LYS 37.A NZ PRO 33.A O no hydrogen 3.413 N/A ALA 38.A N TYR 34.A O no hydrogen 2.995 N/A PHE 39.A N LEU 35.A O no hydrogen 2.945 N/A VAL 43.A N PHE 40.A O no hydrogen 2.824 N/A LEU 44.A N PHE 40.A O no hydrogen 2.917 N/A ASN 45.A N GLU 41.A O no hydrogen 2.912 N/A ARG 49.A NE GLU 18.A OE1 no hydrogen 3.049 N/A ARG 49.A NH1 GLU 18.A OE1 no hydrogen 3.570 N/A ARG 49.A NH1 VAL 43.A O no hydrogen 3.091 N/A ARG 49.A NH2 VAL 43.A O no hydrogen 2.969 N/A ARG 49.A NH2 GLU 83.A OE2 no hydrogen 2.847 N/A LYS 53.A N ARG 49.A O no hydrogen 2.992 N/A LYS 53.A NZ LYS 48.A O no hydrogen 3.225 N/A LEU 54.A N PHE 50.A O no hydrogen 2.977 N/A PHE 55.A N ARG 51.A O no hydrogen 3.018 N/A LEU 56.A N PRO 52.A O no hydrogen 2.819 N/A ALA 57.A N LYS 53.A O no hydrogen 2.817 N/A VAL 58.A N LEU 54.A O no hydrogen 3.413 N/A LEU 59.A N PHE 55.A O no hydrogen 3.170 N/A CYS 60.A N LEU 56.A O no hydrogen 2.925 N/A CYS 60.A SG LEU 56.A O no hydrogen 3.277 N/A LEU 62.A N VAL 58.A O no hydrogen 3.194 N/A LEU 62.A N LEU 59.A O no hydrogen 3.056 N/A VAL 63.A N LEU 59.A O no hydrogen 2.962 N/A TYR 68.A N GLY 64.A O no hydrogen 2.902 N/A TYR 68.A OH GLU 13.A OE1 no hydrogen 2.934 N/A SER 69.A OG GLN 65.A O no hydrogen 3.386 N/A GLN 71.A N TYR 68.A O no hydrogen 2.893 N/A GLN 72.A NE2 GLU 13.A OE1 no hydrogen 2.716 N/A GLN 72.A NE2 GLU 13.A OE2 no hydrogen 3.470 N/A THR 73.A OG1 GLU 74.A OE1 no hydrogen 3.284 N/A TYR 75.A N GLN 71.A O no hydrogen 3.016 N/A PHE 76.A N GLN 72.A O no hydrogen 2.972 N/A LYS 77.A N THR 73.A O no hydrogen 3.001 N/A LYS 77.A NZ GLU 74.A OE1 no hydrogen 3.405 N/A LYS 77.A NZ GLU 74.A OE2 no hydrogen 3.062 N/A ILE 78.A N GLU 74.A O no hydrogen 3.202 N/A ALA 79.A N TYR 75.A O no hydrogen 2.925 N/A LEU 80.A N PHE 76.A O no hydrogen 2.733 N/A SER 81.A N LYS 77.A O no hydrogen 2.862 N/A SER 81.A OG ILE 78.A O no hydrogen 2.603 N/A ILE 82.A N ILE 78.A O no hydrogen 3.332 N/A GLU 83.A N ALA 79.A O no hydrogen 3.231 N/A CYS 84.A N LEU 80.A O no hydrogen 2.889 N/A CYS 84.A SG LEU 80.A O no hydrogen 3.389 N/A LEU 85.A N SER 81.A O no hydrogen 3.191 N/A HIS 86.A N ILE 82.A O no hydrogen 3.076 N/A THR 87.A N GLU 83.A O no hydrogen 2.897 N/A THR 87.A OG1 GLU 83.A O no hydrogen 2.615 N/A TYR 88.A N CYS 84.A O no hydrogen 2.891 N/A SER 89.A N LEU 85.A O no hydrogen 3.301 N/A SER 89.A OG HIS 86.A O no hydrogen 2.555 N/A LEU 90.A N HIS 86.A O no hydrogen 3.327 N/A ILE 91.A N THR 87.A O no hydrogen 2.985 N/A HIS 92.A N TYR 88.A O no hydrogen 3.070 N/A HIS 92.A NE2 VAL 120.A O no hydrogen 2.779 N/A ASP 93.A N SER 89.A O no hydrogen 2.809 N/A ASP 94.A N LEU 90.A O no hydrogen 3.090 N/A LEU 95.A N HIS 92.A O no hydrogen 3.270 N/A MET 98.A N LEU 95.A O no hydrogen 2.817 N/A ASP 99.A N ASP 93.A O no hydrogen 2.881 N/A ASN 100.A N LEU 95.A O no hydrogen 2.880 N/A ALA 101.A N ASP 94.A O no hydrogen 2.915 N/A ARG 104.A N HIS 107.A O no hydrogen 2.849 N/A ARG 104.A NE ASP 94.A OD2 no hydrogen 2.668 N/A ARG 104.A NH2 ASP 94.A OD1 no hydrogen 2.953 N/A ARG 104.A NH2 ASP 94.A OD2 no hydrogen 3.465 N/A ARG 105.A NH1 ASN 45.A O no hydrogen 2.704 N/A HIS 107.A N ARG 104.A O no hydrogen 2.951 N/A THR 109.A N ALA 102.A O no hydrogen 3.096 N/A THR 109.A OG1 ALA 101.A O no hydrogen 2.657 N/A LYS 113.A N THR 109.A O no hydrogen 2.915 N/A LYS 113.A NZ GLU 41.A OE2 no hydrogen 2.878 N/A TYR 114.A N LEU 110.A O no hydrogen 2.839 N/A TYR 114.A OH GLU 41.A OE1 no hydrogen 2.617 N/A THR 118.A N ASP 115.A OD2 no hydrogen 2.960 N/A THR 118.A OG1 TYR 34.A OH no hydrogen 3.405 N/A THR 118.A OG1 ASP 115.A OD1 no hydrogen 3.421 N/A THR 118.A OG1 ASP 115.A OD2 no hydrogen 2.742 N/A ALA 119.A N ASP 115.A O no hydrogen 3.344 N/A VAL 120.A N GLU 116.A O no hydrogen 3.031 N/A LEU 121.A N THR 117.A O no hydrogen 2.938 N/A ILE 122.A N THR 118.A O no hydrogen 2.776 N/A GLY 123.A N ALA 119.A O no hydrogen 2.943 N/A ASP 124.A N VAL 120.A O no hydrogen 2.930 N/A ALA 125.A N LEU 121.A O no hydrogen 2.857 N/A LEU 126.A N ILE 122.A O no hydrogen 2.880 N/A ASN 127.A N GLY 123.A O no hydrogen 2.992 N/A THR 128.A N ASP 124.A O no hydrogen 3.110 N/A THR 128.A OG1 ASP 124.A O no hydrogen 3.178 N/A TYR 129.A N ALA 125.A O no hydrogen 2.620 N/A TYR 129.A OH HIS 24.A NE2 no hydrogen 2.791 N/A SER 130.A N LEU 126.A O no hydrogen 3.260 N/A SER 130.A OG SER 81.A O no hydrogen 3.227 N/A SER 130.A OG LEU 126.A O no hydrogen 2.860 N/A SER 130.A OG ASN 127.A O no hydrogen 3.502 N/A PHE 131.A N THR 128.A O no hydrogen 3.070 N/A GLU 132.A N THR 128.A O no hydrogen 3.220 N/A LEU 133.A N TYR 129.A O no hydrogen 2.834 N/A LEU 134.A N SER 130.A O no hydrogen 3.184 N/A SER 135.A N PHE 131.A O no hydrogen 2.962 N/A SER 135.A OG PHE 131.A O no hydrogen 2.808 N/A SER 135.A OG GLU 132.A O no hydrogen 3.121 N/A ASN 136.A N GLU 132.A O no hydrogen 3.014 N/A ASN 136.A ND2 GLU 132.A O no hydrogen 2.848 N/A ALA 137.A N LEU 134.A O no hydrogen 3.205 N/A LEU 138.A N GLU 74.A OE2 no hydrogen 2.548 N/A LEU 139.A N ALA 137.A O no hydrogen 3.101 N/A ILE 143.A N GLU 140.A O no hydrogen 2.862 N/A ILE 144.A N GLU 140.A O no hydrogen 3.166 N/A VAL 145.A N SER 141.A O no hydrogen 3.024 N/A GLU 146.A N HIS 142.A O no hydrogen 3.230 N/A LEU 147.A N ILE 143.A O no hydrogen 3.044 N/A ILE 148.A N ILE 144.A O no hydrogen 3.070 N/A LYS 149.A N VAL 145.A O no hydrogen 2.888 N/A ILE 150.A N GLU 146.A O no hydrogen 2.974 N/A LEU 151.A N LEU 147.A O no hydrogen 2.917 N/A SER 152.A N ILE 148.A O no hydrogen 2.932 N/A SER 152.A OG ILE 148.A O no hydrogen 2.597 N/A SER 152.A OG LYS 149.A O no hydrogen 3.251 N/A ALA 153.A N LYS 149.A O no hydrogen 3.141 N/A ASN 154.A N ILE 150.A O no hydrogen 3.084 N/A ASN 154.A ND2 ILE 150.A O no hydrogen 2.711 N/A GLY 155.A N LEU 151.A O no hydrogen 2.819 N/A GLY 159.A N GLY 156.A O no hydrogen 3.087 N/A MET 160.A N ASN 154.A O no hydrogen 3.020 N/A ILE 161.A N GLY 156.A O no hydrogen 3.090 N/A GLY 163.A N GLY 159.A O no hydrogen 3.135 N/A GLN 164.A N MET 160.A O no hydrogen 2.891 N/A ALA 165.A N ILE 161.A O no hydrogen 2.749 N/A LEU 166.A N LEU 162.A O no hydrogen 3.004 N/A ASP 167.A N GLY 163.A O no hydrogen 3.004 N/A CYS 168.A N GLN 164.A O no hydrogen 3.048 N/A CYS 168.A SG GLN 164.A O no hydrogen 3.289 N/A TYR 169.A N ALA 165.A O no hydrogen 2.898 N/A PHE 170.A N LEU 166.A O no hydrogen 2.966 N/A THR 173.A N PHE 170.A O no hydrogen 3.222 N/A ASN 176.A N GLN 179.A OE1 no hydrogen 3.024 N/A GLN 179.A N ASN 176.A OD1 no hydrogen 2.775 N/A LEU 180.A N ASN 176.A O no hydrogen 2.923 N/A THR 181.A N LEU 177.A O no hydrogen 2.977 N/A THR 181.A OG1 LEU 177.A O no hydrogen 2.713 N/A PHE 182.A N GLU 178.A O no hydrogen 3.090 N/A LEU 183.A N GLN 179.A O no hydrogen 2.818 N/A HIS 184.A N LEU 180.A O no hydrogen 3.165 N/A HIS 184.A NE2 ASN 239.A O no hydrogen 2.948 N/A GLU 185.A N THR 181.A O no hydrogen 2.829 N/A HIS 186.A N PHE 182.A O no hydrogen 3.214 N/A HIS 186.A ND1 PHE 182.A O no hydrogen 2.842 N/A LYS 187.A N LEU 183.A O no hydrogen 2.773 N/A LYS 187.A NZ ASP 167.A OD2 no hydrogen 2.782 N/A THR 188.A N HIS 184.A O no hydrogen 3.088 N/A THR 188.A OG1 GLN 226.A OE1 no hydrogen 2.823 N/A ALA 189.A N HIS 184.A O no hydrogen 3.196 N/A LYS 190.A N GLU 185.A O no hydrogen 2.980 N/A SER 193.A N ALA 189.A O no hydrogen 2.857 N/A SER 193.A OG GLN 215.A O no hydrogen 3.442 N/A ALA 194.A N LYS 190.A O no hydrogen 2.886 N/A SER 195.A N LEU 191.A O no hydrogen 2.924 N/A SER 195.A OG LEU 191.A O no hydrogen 2.628 N/A LEU 196.A N ILE 192.A O no hydrogen 3.290 N/A ILE 197.A N SER 193.A O no hydrogen 3.062 N/A MET 198.A N ALA 194.A O no hydrogen 2.742 N/A GLY 199.A N SER 195.A O no hydrogen 3.130 N/A LEU 200.A N LEU 196.A O no hydrogen 3.399 N/A VAL 201.A N ILE 197.A O no hydrogen 3.001 N/A ALA 202.A N MET 198.A O no hydrogen 3.005 N/A SER 203.A N GLY 199.A O no hydrogen 3.236 N/A SER 203.A N LEU 200.A O no hydrogen 3.085 N/A SER 203.A OG LEU 200.A O no hydrogen 2.629 N/A GLY 204.A N VAL 201.A O no hydrogen 3.136 N/A GLU 208.A N GLU 208.A OE1 no hydrogen 2.734 N/A PHE 211.A N ASP 207.A O no hydrogen 3.117 N/A LYS 212.A N GLU 208.A O no hydrogen 3.180 N/A TRP 213.A N GLU 209.A O no hydrogen 3.007 N/A LEU 214.A N LEU 210.A O no hydrogen 2.730 N/A GLN 215.A N PHE 211.A O no hydrogen 2.900 N/A ALA 216.A N LYS 212.A O no hydrogen 3.108 N/A PHE 217.A N TRP 213.A O no hydrogen 2.873 N/A GLY 218.A N LEU 214.A O no hydrogen 2.912 N/A LEU 219.A N GLN 215.A O no hydrogen 3.324 N/A LYS 220.A N ALA 216.A O no hydrogen 3.102 N/A LYS 220.A NZ GLU 260.A OE2 no hydrogen 2.797 N/A MET 221.A N PHE 217.A O no hydrogen 2.786 N/A GLY 222.A N GLY 218.A O no hydrogen 2.797 N/A LEU 223.A N LEU 219.A O no hydrogen 3.159 N/A CYS 224.A N LYS 220.A O no hydrogen 3.086 N/A PHE 225.A N MET 221.A O no hydrogen 2.616 N/A GLN 226.A N GLY 222.A O no hydrogen 2.920 N/A GLN 226.A NE2 ASP 230.A OD1 no hydrogen 2.894 N/A VAL 227.A N LEU 223.A O no hydrogen 2.840 N/A LEU 228.A N CYS 224.A O no hydrogen 2.970 N/A ASP 229.A N PHE 225.A O no hydrogen 3.034 N/A ASP 230.A N GLN 226.A O no hydrogen 2.796 N/A ILE 231.A N VAL 227.A O no hydrogen 3.094 N/A ILE 232.A N LEU 228.A O no hydrogen 3.067 N/A ASP 233.A N ASP 229.A O no hydrogen 3.254 N/A VAL 234.A N ILE 231.A O no hydrogen 3.410 N/A THR 235.A N ILE 231.A O no hydrogen 3.447 N/A THR 235.A OG1 ILE 231.A O no hydrogen 2.879 N/A GLN 236.A N ILE 232.A O no hydrogen 3.336 N/A ASN 239.A ND2 PHE 170.A O no hydrogen 2.975 N/A ASN 239.A ND2 THR 173.A O no hydrogen 3.132 N/A PHE 241.A N ASP 230.A OD2 no hydrogen 2.992 N/A VAL 242.A N SER 240.A OG no hydrogen 3.139 N/A ASN 243.A N SER 240.A O no hydrogen 3.201 N/A ASN 243.A ND2 LYS 238.A O no hydrogen 2.747 N/A LEU 244.A N SER 240.A O no hydrogen 3.187 N/A LEU 245.A N PHE 241.A O no hydrogen 2.803 N/A GLY 246.A N VAL 242.A O no hydrogen 2.827 N/A ALA 250.A N GLY 246.A O no hydrogen 2.895 N/A ASN 251.A N LEU 247.A O no hydrogen 2.968 N/A ASN 251.A ND2 LEU 247.A O no hydrogen 2.970 N/A ASN 252.A N GLU 248.A O no hydrogen 3.010 N/A TYR 253.A N ARG 249.A O no hydrogen 2.981 N/A ALA 254.A N ALA 250.A O no hydrogen 3.029 N/A GLN 255.A N ASN 251.A O no hydrogen 3.191 N/A GLN 255.A NE2 ASN 251.A O no hydrogen 3.323 N/A THR 256.A N ASN 252.A O no hydrogen 2.920 N/A THR 256.A OG1 TYR 253.A O no hydrogen 3.264 N/A LEU 257.A N TYR 253.A O no hydrogen 2.864 N/A LYS 258.A N ALA 254.A O no hydrogen 2.755 N/A LYS 258.A NZ GLN 255.A OE1 no hydrogen 2.738 N/A THR 259.A N GLN 255.A O no hydrogen 3.215 N/A THR 259.A OG1 GLN 255.A O no hydrogen 3.125 N/A GLU 260.A N THR 256.A O no hydrogen 3.037 N/A VAL 261.A N LEU 257.A O no hydrogen 2.696 N/A LEU 262.A N LYS 258.A O no hydrogen 2.866 N/A ASN 263.A N THR 259.A O no hydrogen 2.774 N/A ASP 264.A N GLU 260.A O no hydrogen 2.999 N/A LEU 265.A N VAL 261.A O no hydrogen 2.958 N/A ASP 266.A N LEU 262.A O no hydrogen 2.989 N/A LEU 268.A N LEU 265.A O no hydrogen 3.027 N/A TYR 272.A N LEU 268.A O no hydrogen 2.846 N/A TYR 272.A OH ASP 207.A OD2 no hydrogen 2.266 N/A GLN 276.A N TYR 272.A O no hydrogen 2.903 N/A GLU 277.A N PRO 273.A O no hydrogen 2.916 N/A ASN 278.A N LEU 274.A O no hydrogen 3.087 N/A ASN 278.A ND2 ALA 57.A O no hydrogen 3.132 N/A LEU 279.A N LEU 275.A O no hydrogen 2.983 N/A ASN 280.A N GLN 276.A O no hydrogen 2.854 N/A ALA 281.A N GLU 277.A O no hydrogen 3.075 N/A LEU 282.A N ASN 278.A O no hydrogen 3.127 N/A LEU 283.A N LEU 279.A O no hydrogen 3.026 N/A ASN 284.A N ASN 280.A O no hydrogen 3.045 N/A THR 285.A N ALA 281.A O no hydrogen 3.190 N/A THR 285.A OG1 ALA 281.A O no hydrogen 2.808 N/A LEU 286.A N LEU 282.A O no hydrogen 3.078 N/A PHE 287.A N LEU 283.A O no hydrogen 2.870 N/A LYS 288.A N ASN 284.A O no hydrogen 3.161 N/A LYS 288.A N THR 285.A O no hydrogen 3.267 N/A