Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wkg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N THR 1.A O no hydrogen 2.958 N/A SER 6.A N ARG 2.A O no hydrogen 3.275 N/A SER 6.A OG ARG 2.A O no hydrogen 3.174 N/A LEU 7.A N GLU 3.A O no hydrogen 3.132 N/A ALA 8.A N LEU 4.A O no hydrogen 3.031 N/A ALA 9.A N GLN 5.A O no hydrogen 3.308 N/A ALA 10.A N LEU 7.A O no hydrogen 3.344 N/A SER 14.A OG THR 17.A OG1 no hydrogen 2.975 N/A THR 17.A N SER 14.A OG no hydrogen 3.091 N/A THR 17.A OG1 SER 14.A OG no hydrogen 2.975 N/A LEU 18.A N SER 14.A O no hydrogen 2.931 N/A LYS 19.A N GLN 16.A O no hydrogen 3.044 N/A ILE 20.A N ALA 15.A O no hydrogen 3.356 N/A ASP 22.A N LYS 19.A O no hydrogen 3.368 N/A PHE 25.A N ASP 22.A O no hydrogen 3.086 N/A GLU 29.A N GLU 29.A OE1 no hydrogen 2.753 N/A LEU 30.A N ASP 27.A O no hydrogen 3.178 N/A SER 31.A N GLU 34.A OE1 no hydrogen 2.729 N/A SER 31.A OG GLU 34.A OE1 no hydrogen 3.434 N/A GLU 34.A N SER 31.A OG no hydrogen 2.848 N/A THR 35.A N SER 31.A O no hydrogen 3.074 N/A THR 35.A OG1 ASP 32.A O no hydrogen 2.447 N/A ALA 36.A N ASP 32.A O no hydrogen 3.124 N/A LEU 37.A N LEU 33.A O no hydrogen 3.044 N/A CYS 38.A N GLU 34.A O no hydrogen 3.088 N/A CYS 38.A SG GLU 34.A O no hydrogen 3.287 N/A THR 39.A N THR 35.A O no hydrogen 3.101 N/A THR 39.A OG1 THR 35.A O no hydrogen 2.717 N/A ILE 40.A N ALA 36.A O no hydrogen 3.029 N/A ARG 41.A N LEU 37.A O no hydrogen 3.078 N/A ARG 41.A NE PRO 13.A O no hydrogen 2.784 N/A ARG 41.A NH1 ASP 45.A OD1 no hydrogen 3.146 N/A ARG 41.A NH2 VAL 12.A O no hydrogen 2.810 N/A ARG 41.A NH2 PRO 13.A O no hydrogen 3.166 N/A MET 42.A N CYS 38.A O no hydrogen 2.956 N/A PHE 43.A N THR 39.A O no hydrogen 3.214 N/A THR 44.A N ILE 40.A O no hydrogen 2.858 N/A THR 44.A OG1 ILE 40.A O no hydrogen 2.829 N/A ASP 45.A N ARG 41.A O no hydrogen 2.831 N/A LEU 46.A N MET 42.A O no hydrogen 3.225 N/A ASN 47.A N THR 44.A O no hydrogen 2.950 N/A LEU 48.A N PHE 43.A O no hydrogen 2.931 N/A ASN 51.A N ASN 47.A O no hydrogen 2.911 N/A PHE 52.A N LEU 48.A O no hydrogen 3.273 N/A GLN 53.A N GLN 50.A O no hydrogen 3.462 N/A MET 54.A N VAL 49.A O no hydrogen 3.276 N/A GLU 57.A N GLU 57.A OE2 no hydrogen 2.885 N/A LEU 59.A N LYS 55.A O no hydrogen 3.111 N/A CYS 60.A N HIS 56.A O no hydrogen 3.124 N/A CYS 60.A SG HIS 56.A O no hydrogen 3.376 N/A ARG 61.A N GLU 57.A O no hydrogen 3.006 N/A ARG 61.A NH1 GLY 159.A O no hydrogen 2.889 N/A TRP 62.A N VAL 58.A O no hydrogen 2.829 N/A ILE 63.A N LEU 59.A O no hydrogen 2.864 N/A LEU 64.A N CYS 60.A O no hydrogen 2.998 N/A SER 65.A N ARG 61.A O no hydrogen 2.908 N/A SER 65.A OG ARG 61.A O no hydrogen 2.958 N/A SER 65.A OG ASN 160.A OD1 no hydrogen 2.713 N/A VAL 66.A N TRP 62.A O no hydrogen 2.924 N/A LYS 67.A N ILE 63.A O no hydrogen 2.971 N/A LYS 67.A NZ GLU 3.A OE2 no hydrogen 2.866 N/A LYS 67.A NZ ASP 32.A OD2 no hydrogen 3.427 N/A LYS 68.A N LEU 64.A O no hydrogen 2.972 N/A ASN 69.A N SER 65.A O no hydrogen 3.208 N/A ASN 69.A N VAL 66.A O no hydrogen 3.294 N/A ASN 69.A ND2 SER 65.A O no hydrogen 3.345 N/A TYR 70.A N LYS 67.A O no hydrogen 3.197 N/A TYR 70.A OH LEU 115.A O no hydrogen 2.615 N/A ARG 71.A NE ASP 120.A OD1 no hydrogen 3.153 N/A ARG 71.A NH2 ASP 120.A OD1 no hydrogen 3.151 N/A LYS 72.A NZ ASP 32.A OD2 no hydrogen 3.341 N/A VAL 74.A N ARG 71.A O no hydrogen 3.219 N/A ALA 75.A N GLY 252.A O no hydrogen 2.778 N/A TYR 76.A N GLU 247.A OE1 no hydrogen 2.965 N/A HIS 77.A N GLU 247.A OE1 no hydrogen 2.899 N/A HIS 77.A ND1 GLU 247.A OE2 no hydrogen 2.711 N/A ASN 78.A N TYR 76.A O no hydrogen 2.744 N/A ASN 78.A ND2 VAL 74.A O no hydrogen 2.791 N/A ASN 78.A ND2 ALA 75.A O no hydrogen 2.849 N/A TRP 79.A NE1 THR 35.A OG1 no hydrogen 3.108 N/A ARG 80.A NE ASP 32.A OD1 no hydrogen 3.478 N/A ARG 80.A NH1 ASP 27.A O no hydrogen 2.938 N/A ARG 80.A NH1 ASP 27.A OD2 no hydrogen 2.692 N/A ARG 80.A NH1 LEU 30.A O no hydrogen 3.428 N/A ARG 80.A NH2 LEU 30.A O no hydrogen 2.860 N/A ARG 80.A NH2 ASP 32.A OD1 no hydrogen 2.975 N/A HIS 81.A N ASN 78.A OD1 no hydrogen 3.362 N/A HIS 81.A NE2 HIS 117.A NE2 no hydrogen 3.018 N/A ALA 82.A N ASN 78.A O no hydrogen 3.223 N/A PHE 83.A N TRP 79.A O no hydrogen 2.740 N/A ASN 84.A N ARG 80.A O no hydrogen 2.930 N/A ASN 84.A ND2 ASP 27.A OD1 no hydrogen 2.965 N/A ASN 84.A ND2 ARG 80.A O no hydrogen 2.985 N/A THR 85.A N HIS 81.A O no hydrogen 2.949 N/A THR 85.A OG1 HIS 81.A O no hydrogen 2.781 N/A ALA 86.A N ALA 82.A O no hydrogen 3.011 N/A GLN 87.A N PHE 83.A O no hydrogen 2.944 N/A GLN 87.A NE2 ILE 20.A O no hydrogen 2.635 N/A GLN 87.A NE2 ASP 22.A O no hydrogen 3.016 N/A CYS 88.A N ASN 84.A O no hydrogen 2.879 N/A MET 89.A N THR 85.A O no hydrogen 3.028 N/A PHE 90.A N ALA 86.A O no hydrogen 2.827 N/A ALA 91.A N GLN 87.A O no hydrogen 2.808 N/A ALA 92.A N CYS 88.A O no hydrogen 2.762 N/A LEU 93.A N MET 89.A O no hydrogen 2.929 N/A LYS 94.A N PHE 90.A O no hydrogen 2.892 N/A LYS 94.A NZ ASP 45.A O no hydrogen 2.885 N/A LYS 94.A NZ GLN 99.A OE1 no hydrogen 3.029 N/A GLY 96.A N ALA 91.A O no hydrogen 3.123 N/A LYS 97.A N LYS 94.A O no hydrogen 2.878 N/A ILE 98.A N ALA 92.A O no hydrogen 3.408 N/A GLN 99.A N LEU 93.A O no hydrogen 3.084 N/A LYS 101.A N ILE 98.A O no hydrogen 2.887 N/A LEU 102.A N GLN 99.A O no hydrogen 3.419 N/A THR 103.A N GLU 106.A OE1 no hydrogen 2.909 N/A GLU 106.A N THR 103.A OG1 no hydrogen 3.291 N/A ILE 107.A N THR 103.A O no hydrogen 3.016 N/A LEU 108.A N ASP 104.A O no hydrogen 2.778 N/A ALA 109.A N LEU 105.A O no hydrogen 3.065 N/A LEU 110.A N GLU 106.A O no hydrogen 2.959 N/A LEU 111.A N ILE 107.A O no hydrogen 3.094 N/A ILE 112.A N LEU 108.A O no hydrogen 3.213 N/A ALA 113.A N ALA 109.A O no hydrogen 2.744 N/A ALA 114.A N LEU 110.A O no hydrogen 2.807 N/A LEU 115.A N LEU 111.A O no hydrogen 3.056 N/A SER 116.A N ILE 112.A O no hydrogen 2.981 N/A SER 116.A N ALA 113.A O no hydrogen 3.080 N/A SER 116.A OG ILE 112.A O no hydrogen 2.718 N/A HIS 117.A ND1 ALA 114.A O no hydrogen 2.826 N/A HIS 117.A NE2 HIS 81.A NE2 no hydrogen 3.018 N/A ASP 118.A N TYR 70.A OH no hydrogen 3.274 N/A LEU 119.A N SER 116.A O no hydrogen 3.119 N/A ASP 120.A N ASN 69.A O no hydrogen 2.913 N/A HIS 121.A N ASP 118.A O no hydrogen 3.019 N/A GLY 123.A N HIS 121.A ND1 no hydrogen 2.964 N/A VAL 124.A N GLU 247.A OE2 no hydrogen 2.993 N/A ASN 125.A ND2 PHE 248.A O no hydrogen 2.575 N/A ASN 126.A N GLY 123.A O no hydrogen 2.994 N/A ASN 126.A ND2 ARG 122.A O no hydrogen 2.759 N/A ARG 131.A N TYR 128.A O no hydrogen 3.033 N/A SER 132.A N TYR 128.A O no hydrogen 2.891 N/A SER 132.A OG TYR 128.A O no hydrogen 3.146 N/A GLU 133.A N ILE 129.A O no hydrogen 3.177 N/A SER 141.A OG ASP 186.A OD2 no hydrogen 2.707 N/A HIS 145.A N SER 141.A O no hydrogen 3.008 N/A HIS 146.A N ILE 142.A O no hydrogen 3.299 N/A HIS 146.A NE2 ASP 120.A OD2 no hydrogen 3.138 N/A HIS 147.A N MET 143.A O no hydrogen 2.753 N/A HIS 147.A ND1 LEU 119.A O no hydrogen 2.721 N/A PHE 148.A N GLU 144.A O no hydrogen 2.993 N/A ASP 149.A N HIS 145.A O no hydrogen 2.924 N/A GLN 150.A N HIS 146.A O no hydrogen 2.954 N/A CYS 151.A N HIS 147.A O no hydrogen 2.900 N/A LEU 152.A N PHE 148.A O no hydrogen 2.736 N/A MET 153.A N ASP 149.A O no hydrogen 2.908 N/A ILE 154.A N GLN 150.A O no hydrogen 3.074 N/A LEU 155.A N CYS 151.A O no hydrogen 2.930 N/A ASN 156.A N LEU 152.A O no hydrogen 3.116 N/A SER 157.A N ILE 154.A O no hydrogen 3.105 N/A SER 157.A OG MET 153.A O no hydrogen 2.673 N/A SER 157.A OG ILE 154.A O no hydrogen 3.427 N/A ASN 160.A N SER 157.A O no hydrogen 2.972 N/A ASN 160.A ND2 PRO 158.A O no hydrogen 2.723 N/A SER 164.A N GLN 161.A O no hydrogen 3.303 N/A SER 164.A OG GLN 161.A O no hydrogen 3.140 N/A LEU 166.A N LEU 163.A O no hydrogen 3.000 N/A SER 167.A N GLU 170.A OE2 no hydrogen 2.904 N/A GLU 170.A N SER 167.A OG no hydrogen 3.301 N/A TYR 171.A N SER 167.A O no hydrogen 2.804 N/A LYS 172.A N ILE 168.A O no hydrogen 3.014 N/A THR 173.A N GLU 169.A O no hydrogen 3.024 N/A THR 173.A OG1 GLU 169.A O no hydrogen 3.095 N/A THR 174.A N GLU 170.A O no hydrogen 2.837 N/A THR 174.A OG1 GLU 170.A O no hydrogen 2.632 N/A LEU 175.A N TYR 171.A O no hydrogen 2.793 N/A LYS 176.A N LYS 172.A O no hydrogen 3.015 N/A ILE 177.A N THR 173.A O no hydrogen 3.053 N/A ILE 178.A N THR 174.A O no hydrogen 2.838 N/A LYS 179.A N LEU 175.A O no hydrogen 2.917 N/A GLN 180.A N LYS 176.A O no hydrogen 3.002 N/A ALA 181.A N ILE 177.A O no hydrogen 2.864 N/A ILE 182.A N ILE 178.A O no hydrogen 2.902 N/A LEU 183.A N LYS 179.A O no hydrogen 2.959 N/A ALA 184.A N GLN 180.A O no hydrogen 2.923 N/A ALA 184.A N ALA 181.A O no hydrogen 3.212 N/A THR 185.A N ILE 182.A O no hydrogen 3.171 N/A THR 185.A OG1 ILE 182.A O no hydrogen 2.558 N/A ASP 186.A N LEU 183.A O no hydrogen 3.233 N/A ALA 188.A N ASP 186.A OD1 no hydrogen 2.993 N/A TYR 190.A N ASP 186.A O no hydrogen 3.105 N/A TYR 190.A OH ILE 266.A O no hydrogen 2.730 N/A ILE 191.A N LEU 187.A O no hydrogen 2.820 N/A LYS 192.A N ALA 188.A O no hydrogen 2.914 N/A ARG 193.A N LEU 189.A O no hydrogen 3.032 N/A ARG 193.A N TYR 190.A O no hydrogen 3.219 N/A ARG 194.A N TYR 190.A O no hydrogen 2.797 N/A ARG 194.A NH1 TYR 190.A OH no hydrogen 3.408 N/A ARG 194.A NH1 ALA 265.A O no hydrogen 2.735 N/A ARG 194.A NH2 ALA 265.A O no hydrogen 3.185 N/A PHE 198.A N ARG 194.A O no hydrogen 2.910 N/A GLU 199.A N GLY 195.A O no hydrogen 3.149 N/A LEU 200.A N GLU 196.A O no hydrogen 3.158 N/A ILE 201.A N PHE 197.A O no hydrogen 3.146 N/A ARG 202.A N PHE 198.A O no hydrogen 2.689 N/A LYS 203.A N GLU 199.A O no hydrogen 2.694 N/A ASN 204.A N ILE 201.A O no hydrogen 3.059 N/A GLN 205.A N LEU 200.A O no hydrogen 2.723 N/A ASN 207.A N GLN 213.A OE1 no hydrogen 2.623 N/A ASP 210.A N ASN 207.A O no hydrogen 3.330 N/A HIS 212.A N ASP 210.A OD1 no hydrogen 3.158 N/A HIS 212.A NE2 GLU 196.A OE1 no hydrogen 3.297 N/A HIS 212.A NE2 GLU 196.A OE2 no hydrogen 2.641 N/A GLN 213.A NE2 ASP 210.A OD2 no hydrogen 3.152 N/A LYS 214.A N ASP 210.A O no hydrogen 2.882 N/A LYS 214.A NZ GLU 106.A OE1 no hydrogen 3.193 N/A LYS 214.A NZ GLU 106.A OE2 no hydrogen 2.782 N/A GLU 215.A N PRO 211.A O no hydrogen 3.175 N/A LEU 216.A N HIS 212.A O no hydrogen 2.966 N/A PHE 217.A N GLN 213.A O no hydrogen 2.864 N/A LEU 218.A N LYS 214.A O no hydrogen 2.998 N/A ALA 219.A N GLU 215.A O no hydrogen 3.102 N/A MET 220.A N LEU 216.A O no hydrogen 3.085 N/A LEU 221.A N PHE 217.A O no hydrogen 2.885 N/A MET 222.A N LEU 218.A O no hydrogen 3.098 N/A THR 223.A N ALA 219.A O no hydrogen 3.078 N/A THR 223.A OG1 ALA 219.A O no hydrogen 3.295 N/A ALA 224.A N MET 220.A O no hydrogen 2.861 N/A CYS 225.A N LEU 221.A O no hydrogen 3.142 N/A CYS 225.A SG LEU 221.A O no hydrogen 3.277 N/A ASP 226.A N MET 222.A O no hydrogen 2.919 N/A LEU 227.A N THR 223.A O no hydrogen 3.074 N/A SER 228.A N CYS 225.A O no hydrogen 3.152 N/A SER 228.A OG CYS 225.A O no hydrogen 2.604 N/A ILE 230.A N LEU 227.A O no hydrogen 3.164 N/A THR 231.A N SER 228.A O no hydrogen 2.918 N/A THR 231.A OG1 SER 228.A O no hydrogen 2.740 N/A LYS 232.A N ALA 229.A O no hydrogen 3.292 N/A LYS 232.A NZ PHE 23.A O no hydrogen 2.936 N/A LYS 232.A NZ PHE 25.A O no hydrogen 2.553 N/A GLN 237.A N PRO 233.A O no hydrogen 2.985 N/A GLN 237.A NE2 ALA 229.A O no hydrogen 2.959 N/A GLN 238.A N TRP 234.A O no hydrogen 2.973 N/A ARG 239.A N PRO 235.A O no hydrogen 3.436 N/A ARG 239.A NH1 GLU 242.A OE2 no hydrogen 3.431 N/A ILE 240.A N ILE 236.A O no hydrogen 3.016 N/A ALA 241.A N GLN 237.A O no hydrogen 2.951 N/A GLU 242.A N GLN 238.A O no hydrogen 3.130 N/A LEU 243.A N ARG 239.A O no hydrogen 3.102 N/A VAL 244.A N ILE 240.A O no hydrogen 2.825 N/A ALA 245.A N ALA 241.A O no hydrogen 2.921 N/A THR 246.A N GLU 242.A O no hydrogen 2.983 N/A THR 246.A OG1 GLU 242.A O no hydrogen 3.118 N/A GLU 247.A N LEU 243.A O no hydrogen 3.096 N/A PHE 248.A N VAL 244.A O no hydrogen 3.043 N/A PHE 249.A N ALA 245.A O no hydrogen 2.789 N/A ASP 250.A N THR 246.A O no hydrogen 2.925 N/A GLY 252.A N THR 246.A O no hydrogen 3.341 N/A ILE 255.A N ASN 253.A OD1 no hydrogen 3.345 N/A SER 257.A OG LYS 254.A O no hydrogen 3.228 N/A MET 258.A N LYS 254.A O no hydrogen 3.278 N/A GLN 259.A N ILE 255.A O no hydrogen 2.903 N/A GLN 259.A NE2 GLN 237.A OE1 no hydrogen 2.837 N/A VAL 260.A N PRO 256.A O no hydrogen 3.038 N/A GLY 261.A N SER 257.A O no hydrogen 3.029 N/A PHE 262.A N MET 258.A O no hydrogen 3.001 N/A ILE 263.A N GLN 259.A O no hydrogen 2.895 N/A ASP 264.A N VAL 260.A O no hydrogen 2.904 N/A ALA 265.A N GLY 261.A O no hydrogen 2.817 N/A ILE 266.A N PHE 262.A O no hydrogen 3.051 N/A CYS 267.A N ILE 263.A O no hydrogen 3.154 N/A CYS 267.A SG PHE 262.A O no hydrogen 3.811 N/A LEU 268.A N ILE 263.A O no hydrogen 2.876 N/A TYR 271.A N CYS 267.A O no hydrogen 3.123 N/A TYR 271.A OH ALA 224.A O no hydrogen 2.535 N/A GLU 272.A N LEU 268.A O no hydrogen 2.936 N/A ALA 273.A N GLN 269.A O no hydrogen 2.872 N/A LEU 274.A N LEU 270.A O no hydrogen 2.876 N/A THR 275.A N TYR 271.A O no hydrogen 3.164 N/A THR 275.A OG1 TYR 271.A O no hydrogen 2.804 N/A HIS 276.A N GLU 272.A O no hydrogen 3.291 N/A VAL 277.A N ALA 273.A O no hydrogen 3.156 N/A SER 278.A N LEU 274.A O no hydrogen 2.981 N/A SER 278.A OG GLY 96.A O no hydrogen 3.058 N/A ASP 280.A N SER 278.A OG no hydrogen 3.313 N/A CYS 281.A N SER 278.A O no hydrogen 3.166 N/A PHE 282.A N GLU 279.A O no hydrogen 3.106 N/A LEU 284.A N CYS 281.A O no hydrogen 3.224 N/A ASP 286.A N PHE 282.A O no hydrogen 2.804 N/A GLY 287.A N PRO 283.A O no hydrogen 2.770 N/A CYS 288.A N LEU 284.A O no hydrogen 2.976 N/A ARG 289.A N LEU 285.A O no hydrogen 2.884 N/A LYS 290.A N ASP 286.A O no hydrogen 3.024 N/A LYS 290.A NZ ASP 286.A OD2 no hydrogen 3.182 N/A ASN 291.A N GLY 287.A O no hydrogen 3.112 N/A ASN 291.A ND2 ILE 230.A O no hydrogen 2.801 N/A ASN 291.A ND2 LYS 232.A O no hydrogen 2.819 N/A ARG 292.A N CYS 288.A O no hydrogen 3.027 N/A ARG 292.A NE ASP 264.A OD1 no hydrogen 2.901 N/A ARG 292.A NH2 ASP 264.A OD2 no hydrogen 3.173 N/A GLN 293.A N ARG 289.A O no hydrogen 3.158 N/A LYS 294.A N LYS 290.A O no hydrogen 3.093 N/A TRP 295.A N ASN 291.A O no hydrogen 2.921 N/A TRP 295.A NE1 GLN 237.A OE1 no hydrogen 2.778 N/A GLN 296.A N ARG 292.A O no hydrogen 2.873 N/A GLN 296.A NE2 GLU 300.A OE1 no hydrogen 2.719 N/A ALA 297.A N GLN 293.A O no hydrogen 3.092 N/A LEU 298.A N LYS 294.A O no hydrogen 3.136 N/A ALA 299.A N TRP 295.A O no hydrogen 2.752 N/A GLU 300.A N GLN 296.A O no hydrogen 3.086 N/A GLN 301.A N LEU 298.A O no hydrogen 2.679 N/A