Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aqc_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N SER 1.A O no hydrogen 3.358 N/A LEU 6.A N TYR 2.A O no hydrogen 3.439 N/A ASN 7.A N ALA 4.A O no hydrogen 3.415 N/A ASN 7.A ND2 LYS 3.A O no hydrogen 3.293 N/A TYR 9.A N LEU 6.A O no hydrogen 3.134 N/A ILE 10.A N LEU 6.A O no hydrogen 2.785 N/A ILE 11.A N ASN 7.A O no hydrogen 3.358 N/A VAL 13.A N TYR 9.A O no hydrogen 2.799 N/A GLU 14.A N ILE 10.A O no hydrogen 3.056 N/A LYS 15.A N ILE 11.A O no hydrogen 2.973 N/A ARG 16.A N GLU 12.A O no hydrogen 3.036 N/A LEU 17.A N VAL 13.A O no hydrogen 2.693 N/A TYR 18.A N GLU 14.A O no hydrogen 3.184 N/A GLU 19.A N LYS 15.A O no hydrogen 3.056 N/A CYS 20.A N ARG 16.A O no hydrogen 2.776 N/A CYS 20.A SG ARG 16.A O no hydrogen 3.164 N/A GLN 22.A N GLU 19.A O no hydrogen 3.254 N/A GLN 22.A NE2 TYR 18.A O no hydrogen 3.320 N/A SER 23.A N ASN 29.A OD1 no hydrogen 3.076 N/A SER 25.A N SER 23.A OG no hydrogen 3.054 N/A THR 27.A N GLU 26.A OE2 no hydrogen 2.348 N/A THR 27.A OG1 GLU 26.A OE2 no hydrogen 2.379 N/A ASN 29.A N SER 25.A O no hydrogen 3.254 N/A LYS 30.A N GLU 26.A O no hydrogen 3.222 N/A ALA 31.A N THR 27.A O no hydrogen 2.642 N/A ALA 32.A N ILE 28.A O no hydrogen 2.732 N/A HIS 33.A N ASN 29.A O no hydrogen 3.060 N/A HIS 34.A N LYS 30.A O no hydrogen 2.795 N/A HIS 34.A NE2 THR 93.A O no hydrogen 2.833 N/A ILE 35.A N ALA 31.A O no hydrogen 3.240 N/A LEU 36.A N ALA 32.A O no hydrogen 2.996 N/A SER 37.A N HIS 33.A O no hydrogen 2.680 N/A SER 37.A OG HIS 33.A O no hydrogen 2.855 N/A SER 38.A N ILE 35.A O no hydrogen 3.199 N/A SER 38.A OG HIS 34.A O no hydrogen 2.790 N/A ARG 42.A NE GLU 14.A OE1 no hydrogen 3.208 N/A ARG 42.A NH1 GLU 14.A OE2 no hydrogen 3.203 N/A ARG 42.A NH1 LEU 36.A O no hydrogen 2.935 N/A ARG 42.A NH2 GLU 70.A OE1 no hydrogen 3.413 N/A MET 46.A N ARG 42.A O no hydrogen 3.292 N/A PHE 47.A N VAL 43.A O no hydrogen 3.258 N/A PHE 47.A N ARG 44.A O no hydrogen 3.231 N/A VAL 48.A N ARG 44.A O no hydrogen 3.025 N/A LEU 49.A N PRO 45.A O no hydrogen 2.830 N/A LEU 50.A N MET 46.A O no hydrogen 3.193 N/A SER 51.A N PHE 47.A O no hydrogen 2.903 N/A SER 51.A OG PHE 47.A O no hydrogen 2.627 N/A GLY 52.A N VAL 48.A O no hydrogen 3.165 N/A PHE 53.A N LEU 49.A O no hydrogen 3.141 N/A PHE 53.A N LEU 50.A O no hydrogen 3.252 N/A ASN 55.A ND2 SER 182.A O no hydrogen 2.807 N/A ARG 64.A NE ASN 118.A O no hydrogen 3.102 N/A ARG 64.A NH1 ASN 118.A O no hydrogen 3.379 N/A THR 65.A N ASP 61.A O no hydrogen 2.843 N/A THR 65.A N LEU 62.A O no hydrogen 3.232 N/A THR 65.A OG1 ASP 61.A O no hydrogen 2.808 N/A ALA 66.A N LEU 62.A O no hydrogen 3.341 N/A VAL 67.A N ILE 63.A O no hydrogen 3.321 N/A SER 68.A N ARG 64.A O no hydrogen 3.283 N/A SER 68.A OG ARG 64.A O no hydrogen 3.494 N/A SER 68.A OG ALA 115.A O no hydrogen 2.701 N/A LEU 69.A N THR 65.A O no hydrogen 3.137 N/A GLU 70.A N ALA 66.A O no hydrogen 3.272 N/A LEU 71.A N VAL 67.A O no hydrogen 3.268 N/A VAL 72.A N SER 68.A O no hydrogen 2.966 N/A HIS 73.A N LEU 69.A O no hydrogen 2.795 N/A MET 74.A N GLU 70.A O no hydrogen 2.839 N/A ALA 75.A N LEU 71.A O no hydrogen 2.942 N/A SER 76.A N VAL 72.A O no hydrogen 2.996 N/A SER 76.A OG HIS 73.A O no hydrogen 2.598 N/A LEU 77.A N HIS 73.A O no hydrogen 3.263 N/A VAL 78.A N MET 74.A O no hydrogen 3.196 N/A HIS 79.A N ALA 75.A O no hydrogen 3.501 N/A HIS 79.A NE2 ILE 105.A O no hydrogen 3.055 N/A ASP 80.A N SER 76.A O no hydrogen 2.832 N/A ASP 81.A N LEU 77.A O no hydrogen 2.905 N/A ILE 83.A N HIS 79.A O no hydrogen 3.067 N/A ASP 84.A N ASP 80.A O no hydrogen 2.728 N/A ARG 89.A N ASN 92.A O no hydrogen 2.600 N/A ARG 89.A NH2 ASP 81.A OD1 no hydrogen 2.744 N/A ARG 89.A NH2 ASP 81.A OD2 no hydrogen 2.990 N/A ASN 92.A N ARG 89.A O no hydrogen 2.762 N/A THR 93.A OG1 HIS 34.A NE2 no hydrogen 3.356 N/A SER 94.A N ASP 87.A O no hydrogen 3.132 N/A SER 94.A OG SER 86.A O no hydrogen 3.057 N/A SER 94.A OG HIS 96.A NE2 no hydrogen 2.946 N/A HIS 96.A NE2 SER 86.A O no hydrogen 2.765 N/A ILE 97.A N SER 94.A O no hydrogen 2.995 N/A ALA 98.A N SER 94.A O no hydrogen 2.934 N/A PHE 99.A N VAL 95.A O no hydrogen 2.811 N/A THR 103.A N ASP 100.A OD1 no hydrogen 3.317 N/A THR 103.A OG1 ASP 100.A OD1 no hydrogen 2.541 N/A ALA 104.A N ASP 100.A O no hydrogen 3.048 N/A ILE 105.A N LYS 101.A O no hydrogen 3.018 N/A ARG 106.A N ASP 102.A O no hydrogen 3.044 N/A THR 107.A N THR 103.A O no hydrogen 2.831 N/A GLY 108.A N ALA 104.A O no hydrogen 3.286 N/A HIS 109.A N ILE 105.A O no hydrogen 3.239 N/A PHE 110.A N ARG 106.A O no hydrogen 2.768 N/A LEU 111.A N THR 107.A O no hydrogen 2.817 N/A LEU 112.A N GLY 108.A O no hydrogen 3.124 N/A ALA 113.A N HIS 109.A O no hydrogen 2.870 N/A ARG 114.A N PHE 110.A O no hydrogen 3.026 N/A ARG 114.A NH1 GLN 22.A O no hydrogen 3.216 N/A ARG 114.A NH2 GLN 22.A O no hydrogen 2.634 N/A ALA 115.A N LEU 111.A O no hydrogen 2.900 N/A LEU 116.A N LEU 112.A O no hydrogen 3.031 N/A GLN 117.A N ALA 113.A O no hydrogen 2.847 N/A ASN 118.A N ARG 114.A O no hydrogen 2.797 N/A ASN 118.A ND2 SER 68.A OG no hydrogen 2.964 N/A ALA 120.A N GLN 117.A O no hydrogen 3.165 N/A ILE 122.A N ILE 119.A O no hydrogen 2.985 N/A PHE 127.A N ASN 124.A OD1 no hydrogen 3.357 N/A HIS 128.A N ASN 124.A O no hydrogen 3.246 N/A HIS 128.A NE2 ILE 122.A O no hydrogen 2.864 N/A GLN 129.A N SER 125.A O no hydrogen 2.671 N/A ILE 130.A N LYS 126.A O no hydrogen 2.938 N/A PHE 131.A N PHE 127.A O no hydrogen 3.086 N/A SER 132.A N HIS 128.A O no hydrogen 2.885 N/A SER 132.A OG HIS 128.A O no hydrogen 2.551 N/A SER 132.A OG GLN 129.A O no hydrogen 3.200 N/A LYS 133.A N GLN 129.A O no hydrogen 2.950 N/A THR 134.A N ILE 130.A O no hydrogen 3.052 N/A THR 134.A OG1 PHE 131.A O no hydrogen 3.374 N/A ILE 135.A N PHE 131.A O no hydrogen 3.163 N/A LEU 136.A N SER 132.A O no hydrogen 3.128 N/A GLU 137.A N LYS 133.A O no hydrogen 2.980 N/A VAL 138.A N THR 134.A O no hydrogen 2.817 N/A CYS 139.A N ILE 135.A O no hydrogen 3.211 N/A CYS 139.A SG ILE 135.A O no hydrogen 3.510 N/A PHE 140.A N LEU 136.A O no hydrogen 2.941 N/A GLY 141.A N GLU 137.A O no hydrogen 2.830 N/A GLU 142.A N VAL 138.A O no hydrogen 3.006 N/A PHE 143.A N CYS 139.A O no hydrogen 2.891 N/A ASP 144.A N PHE 140.A O no hydrogen 3.049 N/A GLN 145.A N GLY 141.A O no hydrogen 2.909 N/A MET 146.A N GLU 142.A O no hydrogen 2.947 N/A ALA 147.A N PHE 143.A O no hydrogen 3.043 N/A ASP 148.A N ASP 144.A O no hydrogen 2.892 N/A ASP 148.A N GLN 145.A O no hydrogen 3.110 N/A ARG 149.A NE ASN 229.A O no hydrogen 2.802 N/A PHE 150.A N GLY 230.A O no hydrogen 2.918 N/A ASN 151.A N ASP 148.A O no hydrogen 3.258 N/A ASN 151.A ND2 ALA 147.A O no hydrogen 2.699 N/A ALA 158.A N SER 155.A OG no hydrogen 3.092 N/A TYR 159.A N SER 155.A O no hydrogen 2.992 N/A TYR 159.A OH ASP 208.A OD2 no hydrogen 2.495 N/A LEU 160.A N PHE 156.A O no hydrogen 2.993 N/A ARG 161.A N THR 157.A O no hydrogen 2.903 N/A ARG 162.A N ALA 158.A O no hydrogen 2.941 N/A ARG 162.A NH1 ILE 232.A O no hydrogen 3.132 N/A ARG 162.A NH2 ASP 148.A OD2 no hydrogen 3.479 N/A ILE 163.A N TYR 159.A O no hydrogen 2.975 N/A ASN 164.A N LEU 160.A O no hydrogen 2.891 N/A ARG 165.A N ARG 161.A O no hydrogen 3.206 N/A ARG 165.A NH2 ASP 144.A OD2 no hydrogen 2.588 N/A LYS 166.A N ARG 162.A O no hydrogen 3.265 N/A LYS 166.A NZ GLN 204.A OE1 no hydrogen 2.690 N/A ALA 168.A N ILE 163.A O no hydrogen 3.345 N/A ILE 169.A N ASN 164.A O no hydrogen 2.835 N/A GLU 172.A N ALA 168.A O no hydrogen 2.873 N/A ALA 173.A N ILE 169.A O no hydrogen 2.705 N/A SER 174.A N LEU 170.A O no hydrogen 3.078 N/A SER 174.A OG LEU 170.A O no hydrogen 3.034 N/A CYS 175.A N ILE 171.A O no hydrogen 3.193 N/A CYS 175.A SG ILE 171.A O no hydrogen 3.604 N/A HIS 176.A N GLU 172.A O no hydrogen 2.947 N/A LEU 177.A N ALA 173.A O no hydrogen 2.689 N/A GLY 178.A N SER 174.A O no hydrogen 3.135 N/A ALA 179.A N CYS 175.A O no hydrogen 3.125 N/A LEU 180.A N HIS 176.A O no hydrogen 2.962 N/A SER 181.A N LEU 177.A O no hydrogen 3.054 N/A SER 181.A OG LEU 177.A O no hydrogen 3.153 N/A SER 181.A OG GLY 178.A O no hydrogen 3.061 N/A SER 182.A OG GLY 52.A O no hydrogen 2.918 N/A GLN 183.A N LEU 180.A O no hydrogen 2.946 N/A LEU 184.A N ALA 179.A O no hydrogen 3.131 N/A SER 188.A N ASP 185.A OD1 no hydrogen 3.136 N/A THR 189.A N ASP 185.A O no hydrogen 2.732 N/A THR 189.A OG1 LEU 184.A O no hydrogen 3.100 N/A THR 189.A OG1 ASP 185.A O no hydrogen 2.688 N/A TYR 190.A N GLU 186.A O no hydrogen 2.979 N/A ILE 192.A N SER 188.A O no hydrogen 3.330 N/A LYS 193.A N THR 189.A O no hydrogen 2.909 N/A LYS 193.A NZ GLU 172.A OE2 no hydrogen 3.128 N/A GLN 194.A N TYR 190.A O no hydrogen 2.868 N/A PHE 195.A N HIS 191.A O no hydrogen 2.858 N/A GLY 196.A N ILE 192.A O no hydrogen 3.066 N/A HIS 197.A N LYS 193.A O no hydrogen 3.172 N/A CYS 198.A N GLN 194.A O no hydrogen 3.053 N/A CYS 198.A SG GLN 194.A O no hydrogen 3.508 N/A ILE 199.A N PHE 195.A O no hydrogen 2.927 N/A GLY 200.A N GLY 196.A O no hydrogen 3.196 N/A MET 201.A N HIS 197.A O no hydrogen 3.126 N/A SER 202.A N CYS 198.A O no hydrogen 3.012 N/A SER 202.A OG SER 286.A O no hydrogen 2.993 N/A SER 202.A OG SER 286.A OG no hydrogen 2.893 N/A TYR 203.A N ILE 199.A O no hydrogen 2.968 N/A GLN 204.A N GLY 200.A O no hydrogen 3.083 N/A ILE 205.A N MET 201.A O no hydrogen 3.138 N/A ILE 206.A N SER 202.A O no hydrogen 3.077 N/A ASP 207.A N TYR 203.A O no hydrogen 2.904 N/A ASP 208.A N GLN 204.A O no hydrogen 2.985 N/A ILE 209.A N ILE 205.A O no hydrogen 2.797 N/A LEU 210.A N ILE 206.A O no hydrogen 2.838 N/A ASP 211.A N ASP 207.A O no hydrogen 3.132 N/A TYR 212.A N ILE 209.A O no hydrogen 2.876 N/A THR 213.A N ILE 209.A O no hydrogen 2.943 N/A THR 213.A OG1 ILE 209.A O no hydrogen 3.185 N/A SER 214.A N LEU 210.A O no hydrogen 3.013 N/A SER 214.A OG ASP 215.A O no hydrogen 3.048 N/A LEU 219.A N ASP 215.A O no hydrogen 3.258 N/A GLY 220.A N GLU 216.A O no hydrogen 2.747 N/A GLY 224.A N ASP 211.A O no hydrogen 2.720 N/A SER 225.A OG PRO 222.A O no hydrogen 2.482 N/A ASP 226.A N ASP 211.A OD2 no hydrogen 2.851 N/A ARG 228.A N GLY 224.A O no hydrogen 3.262 N/A ASN 229.A N SER 225.A O no hydrogen 3.163 N/A ASN 229.A N ASP 226.A O no hydrogen 3.199 N/A ASN 229.A ND2 SER 225.A O no hydrogen 2.655 N/A GLY 230.A N ILE 227.A O no hydrogen 3.095 N/A HIS 231.A N ASP 226.A O no hydrogen 2.774 N/A MET 237.A N THR 233.A O no hydrogen 3.069 N/A ALA 238.A N TYR 234.A O no hydrogen 2.709 N/A ALA 239.A N PRO 235.A O no hydrogen 2.984 N/A ILE 240.A N LEU 236.A O no hydrogen 3.038 N/A ALA 241.A N MET 237.A O no hydrogen 3.166 N/A ASN 242.A N ALA 238.A O no hydrogen 3.025 N/A ASN 242.A ND2 TYR 277.A O no hydrogen 2.755 N/A LEU 243.A N ALA 239.A O no hydrogen 3.116 N/A LYS 244.A N ILE 240.A O no hydrogen 3.077 N/A LYS 244.A NZ GLU 252.A OE1 no hydrogen 3.403 N/A LYS 244.A NZ GLU 252.A OE2 no hydrogen 3.080 N/A GLU 245.A N ALA 241.A O no hydrogen 3.150 N/A GLN 246.A N ASN 242.A O no hydrogen 3.268 N/A ASP 247.A N LYS 244.A O no hydrogen 2.986 N/A ASP 248.A N LEU 243.A O no hydrogen 2.672 N/A LYS 250.A N ASP 248.A OD1 no hydrogen 3.049 N/A LYS 250.A NZ ASP 248.A OD1 no hydrogen 2.944 N/A LYS 250.A NZ ASP 248.A OD2 no hydrogen 2.945 N/A ALA 253.A N ASP 249.A O no hydrogen 3.186 N/A VAL 254.A N LYS 250.A O no hydrogen 2.918 N/A VAL 255.A N LEU 251.A O no hydrogen 2.889 N/A LYS 256.A N GLU 252.A O no hydrogen 2.953 N/A LYS 256.A NZ TYR 152.A O no hydrogen 2.894 N/A HIS 257.A N ALA 253.A O no hydrogen 3.155 N/A HIS 257.A ND1 ALA 253.A O no hydrogen 2.769 N/A LEU 258.A N VAL 255.A O no hydrogen 3.042 N/A THR 259.A N SER 262.A OG no hydrogen 2.730 N/A SER 262.A N THR 259.A O no hydrogen 2.979 N/A SER 262.A OG THR 259.A O no hydrogen 2.582 N/A GLU 265.A N GLU 265.A OE1 no hydrogen 2.644 N/A VAL 266.A N ASP 263.A O no hydrogen 2.907 N/A GLN 268.A N ASP 264.A O no hydrogen 2.823 N/A GLN 268.A NE2 ASP 264.A O no hydrogen 3.518 N/A TYR 269.A N GLU 265.A O no hydrogen 3.085 N/A ILE 270.A N VAL 266.A O no hydrogen 3.077 N/A VAL 271.A N TYR 267.A O no hydrogen 2.831 N/A SER 272.A N GLN 268.A O no hydrogen 3.207 N/A SER 272.A OG GLN 268.A O no hydrogen 3.312 N/A SER 272.A OG TYR 269.A O no hydrogen 2.961 N/A GLN 273.A N TYR 269.A O no hydrogen 3.097 N/A VAL 274.A N ILE 270.A O no hydrogen 2.966 N/A LYS 275.A N VAL 271.A O no hydrogen 2.926 N/A GLN 276.A N SER 272.A O no hydrogen 3.069 N/A TYR 277.A N GLN 273.A O no hydrogen 3.028 N/A TYR 277.A N VAL 274.A O no hydrogen 3.303 N/A TYR 277.A OH GLN 246.A OE1 no hydrogen 3.373 N/A GLY 278.A N VAL 274.A O no hydrogen 2.755 N/A ALA 282.A N GLY 278.A O no hydrogen 3.406 N/A GLU 283.A N ILE 279.A O no hydrogen 2.930 N/A LEU 284.A N GLU 280.A O no hydrogen 2.890 N/A LEU 285.A N PRO 281.A O no hydrogen 2.929 N/A SER 286.A N ALA 282.A O no hydrogen 2.974 N/A SER 286.A OG SER 202.A O no hydrogen 2.977 N/A SER 286.A OG SER 202.A OG no hydrogen 2.893 N/A ARG 287.A N GLU 283.A O no hydrogen 2.852 N/A ARG 287.A NH1 VAL 320.A O no hydrogen 3.396 N/A LYS 288.A N LEU 284.A O no hydrogen 3.099 N/A TYR 289.A N LEU 285.A O no hydrogen 3.352 N/A GLY 290.A N SER 286.A O no hydrogen 3.009 N/A ASP 291.A N ARG 287.A O no hydrogen 2.718 N/A LYS 292.A N LYS 288.A O no hydrogen 2.987 N/A ALA 293.A N TYR 289.A O no hydrogen 2.977 N/A LYS 294.A N GLY 290.A O no hydrogen 3.067 N/A TYR 295.A N ASP 291.A O no hydrogen 3.121 N/A HIS 296.A N LYS 292.A O no hydrogen 3.356 N/A HIS 296.A ND1 LYS 292.A O no hydrogen 2.964 N/A LEU 297.A N ALA 293.A O no hydrogen 3.115 N/A SER 298.A N LYS 294.A O no hydrogen 2.912 N/A SER 298.A OG TYR 295.A O no hydrogen 2.644 N/A ASN 304.A ND2 TYR 308.A OH no hydrogen 2.949 N/A LYS 306.A NZ LEU 300.A O no hydrogen 3.474 N/A LYS 306.A NZ ASP 302.A OD1 no hydrogen 3.068 N/A ASP 307.A N ASN 304.A O no hydrogen 3.136 N/A LEU 309.A N ILE 305.A O no hydrogen 3.187 N/A GLU 310.A N LYS 306.A O no hydrogen 3.072 N/A GLU 311.A N ASP 307.A O no hydrogen 3.082 N/A ILE 312.A N TYR 308.A O no hydrogen 3.035 N/A HIS 313.A N LEU 309.A O no hydrogen 2.926 N/A HIS 313.A NE2 GLY 290.A O no hydrogen 2.744 N/A GLU 314.A N GLU 310.A O no hydrogen 3.142 N/A LYS 315.A N GLU 311.A O no hydrogen 3.296 N/A MET 316.A N ILE 312.A O no hydrogen 2.966 N/A LYS 318.A N LYS 315.A O no hydrogen 3.357 N/A ARG 319.A NH1 GLU 283.A OE2 no hydrogen 2.826 N/A ARG 319.A NH1 ARG 319.A O no hydrogen 3.110 N/A ARG 319.A NH2 GLU 283.A OE2 no hydrogen 3.557 N/A VAL 320.A N LEU 317.A O no hydrogen 3.235 N/A TYR 321.A N LEU 317.A O no hydrogen 3.181 N/A TYR 321.A OH ASP 291.A OD2 no hydrogen 2.464 N/A