Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a4k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N GLU 5.A OE1 no hydrogen 2.849 N/A SER 2.A OG GLU 5.A OE1 no hydrogen 3.299 N/A ALA 3.A N GLU 40.A OE2 no hydrogen 2.754 N/A GLU 5.A N SER 2.A OG no hydrogen 2.921 N/A LYS 6.A N SER 2.A O no hydrogen 3.230 N/A LEU 7.A N ALA 3.A O no hydrogen 2.950 N/A LEU 8.A N LEU 4.A O no hydrogen 2.796 N/A SER 9.A N GLU 5.A O no hydrogen 2.953 N/A SER 9.A OG LYS 6.A O no hydrogen 3.492 N/A LEU 10.A N LYS 6.A O no hydrogen 2.834 N/A ILE 11.A N LEU 7.A O no hydrogen 2.759 N/A GLU 12.A N LEU 8.A O no hydrogen 2.906 N/A ASN 13.A N SER 9.A O no hydrogen 2.911 N/A LEU 14.A N ILE 11.A O no hydrogen 3.077 N/A THR 15.A OG1 GLU 12.A O no hydrogen 2.809 N/A GLN 17.A N LEU 14.A O no hydrogen 3.140 N/A ALA 22.A N GLU 18.A O no hydrogen 2.831 N/A THR 23.A N PHE 19.A O no hydrogen 2.838 N/A THR 23.A OG1 PHE 19.A O no hydrogen 2.692 N/A ASN 24.A N LYS 20.A O no hydrogen 2.949 N/A SER 25.A N GLN 21.A O no hydrogen 3.006 N/A SER 25.A OG GLN 21.A O no hydrogen 3.454 N/A LEU 26.A N ALA 22.A O no hydrogen 3.010 N/A ILE 27.A N THR 23.A O no hydrogen 2.837 N/A SER 28.A N ASN 24.A O no hydrogen 3.005 N/A PHE 29.A N SER 25.A O no hydrogen 3.015 N/A ILE 30.A N LEU 26.A O no hydrogen 3.031 N/A TYR 31.A N ILE 27.A O no hydrogen 2.919 N/A LYS 32.A NZ SER 28.A O no hydrogen 3.522 N/A LYS 32.A NZ SER 28.A OG no hydrogen 3.039 N/A LEU 33.A N ILE 30.A O no hydrogen 3.175 N/A ASN 34.A N GLU 37.A OE1 no hydrogen 2.705 N/A ARG 35.A NH1 LEU 174.A O no hydrogen 2.643 N/A ARG 35.A NH2 LEU 76.A O no hydrogen 3.461 N/A GLU 37.A N ASN 34.A OD1 no hydrogen 3.307 N/A VAL 38.A N ASN 34.A O no hydrogen 2.854 N/A ILE 39.A N ARG 35.A O no hydrogen 2.896 N/A GLU 40.A N ASN 36.A O no hydrogen 2.927 N/A LEU 41.A N GLU 37.A O no hydrogen 2.786 N/A VAL 42.A N VAL 38.A O no hydrogen 2.708 N/A ARG 43.A N ILE 39.A O no hydrogen 3.046 N/A ARG 43.A NE GLU 235.A OE2 no hydrogen 2.888 N/A ARG 43.A NH2 GLN 175.A OE1 no hydrogen 2.947 N/A ARG 43.A NH2 GLU 235.A OE2 no hydrogen 3.313 N/A SER 44.A N GLU 40.A O no hydrogen 3.136 N/A SER 44.A OG GLU 40.A O no hydrogen 3.114 N/A ILE 45.A N LEU 41.A O no hydrogen 2.826 N/A ILE 47.A N SER 44.A O no hydrogen 3.326 N/A LEU 48.A N PHE 110.A O no hydrogen 3.154 N/A GLU 50.A N GLU 246.A OE1 no hydrogen 2.835 N/A ILE 52.A N PRO 49.A O no hydrogen 3.242 N/A LYS 53.A NZ ASP 272.A OD1 no hydrogen 3.216 N/A SER 55.A N GLU 59.A OE1 no hydrogen 2.811 N/A SER 56.A N LYS 53.A O no hydrogen 3.302 N/A SER 56.A OG LYS 53.A O no hydrogen 2.505 N/A GLN 58.A NE2 GLU 12.A OE2 no hydrogen 3.217 N/A GLU 59.A N SER 56.A OG no hydrogen 3.216 N/A LYS 60.A N SER 56.A O no hydrogen 3.211 N/A LYS 60.A NZ SER 55.A O no hydrogen 2.871 N/A LEU 61.A N THR 57.A O no hydrogen 2.693 N/A PHE 62.A N GLN 58.A O no hydrogen 2.870 N/A SER 63.A N GLU 59.A O no hydrogen 2.916 N/A LYS 64.A N LYS 60.A O no hydrogen 2.931 N/A LYS 64.A NZ LEU 84.A O no hydrogen 2.884 N/A ALA 65.A N LEU 61.A O no hydrogen 2.813 N/A GLY 66.A N PHE 62.A O no hydrogen 3.103 N/A ASP 67.A N SER 63.A O no hydrogen 2.977 N/A ILE 68.A N LYS 64.A O no hydrogen 2.885 N/A VAL 69.A N ALA 65.A O no hydrogen 2.762 N/A LEU 70.A N GLY 66.A O no hydrogen 2.969 N/A ALA 71.A N ASP 67.A O no hydrogen 2.891 N/A LYS 72.A N ILE 68.A O no hydrogen 2.963 N/A LYS 72.A NZ TYR 31.A O no hydrogen 3.044 N/A ALA 73.A N VAL 69.A O no hydrogen 2.734 N/A PHE 74.A N LEU 70.A O no hydrogen 2.896 N/A GLN 75.A N ALA 71.A O no hydrogen 2.885 N/A GLN 75.A NE2 SER 81.A O no hydrogen 2.848 N/A LEU 76.A N LYS 72.A O no hydrogen 2.968 N/A LEU 77.A N PHE 74.A O no hydrogen 3.088 N/A ASN 78.A N GLN 75.A O no hydrogen 2.896 N/A ASN 78.A ND2 GLU 180.A O no hydrogen 2.674 N/A LEU 79.A N PHE 74.A O no hydrogen 3.013 N/A ASN 80.A N LEU 95.A O no hydrogen 2.777 N/A SER 81.A OG ALA 71.A O no hydrogen 3.553 N/A SER 81.A OG ILE 93.A O no hydrogen 2.928 N/A LYS 82.A N ILE 93.A O no hydrogen 3.002 N/A LEU 84.A N ASP 91.A O no hydrogen 2.782 N/A ASP 91.A N ALA 105.A O no hydrogen 2.892 N/A VAL 92.A N ALA 105.A O no hydrogen 3.052 N/A ILE 93.A N LYS 82.A O no hydrogen 3.054 N/A ALA 94.A N LEU 103.A O no hydrogen 3.049 N/A LEU 95.A N ASN 80.A O no hydrogen 2.665 N/A SER 96.A N TYR 101.A O no hydrogen 2.851 N/A SER 96.A OG GLU 180.A OE1 no hydrogen 2.637 N/A LYS 97.A NZ ASN 78.A OD1 no hydrogen 3.430 N/A PHE 99.A N SER 96.A OG no hydrogen 2.857 N/A TYR 101.A OH GLU 180.A OE1 no hydrogen 3.417 N/A TYR 101.A OH GLU 180.A OE2 no hydrogen 2.547 N/A GLY 102.A N ASP 135.A OD2 no hydrogen 3.144 N/A LEU 103.A N ALA 94.A O no hydrogen 2.807 N/A VAL 104.A N TYR 136.A O no hydrogen 3.006 N/A ALA 105.A N VAL 92.A O no hydrogen 2.778 N/A ASP 106.A N VAL 138.A O no hydrogen 2.841 N/A LYS 108.A N THR 140.A O no hydrogen 2.797 N/A LYS 108.A NZ ASP 106.A OD2 no hydrogen 3.124 N/A SER 109.A OG ILE 45.A O no hydrogen 2.598 N/A PHE 110.A N GLY 46.A O no hydrogen 3.136 N/A ARG 111.A NE PRO 49.A O no hydrogen 3.200 N/A ARG 111.A NE ILE 52.A O no hydrogen 3.403 N/A ARG 111.A NH1 GLU 59.A OE2 no hydrogen 2.876 N/A ARG 111.A NH2 ILE 52.A O no hydrogen 2.865 N/A ARG 111.A NH2 GLU 59.A OE2 no hydrogen 2.899 N/A SER 113.A N GLU 50.A OE2 no hydrogen 3.412 N/A SER 113.A OG GLU 50.A OE1 no hydrogen 2.691 N/A SER 113.A OG GLU 50.A OE2 no hydrogen 2.733 N/A ARG 114.A N ARG 111.A O no hydrogen 3.151 N/A ARG 114.A NE ALA 116.A O no hydrogen 2.818 N/A ARG 114.A NH2 ALA 116.A O no hydrogen 2.885 N/A LYS 117.A NZ ARG 114.A O no hydrogen 3.340 N/A LYS 117.A NZ THR 115.A O no hydrogen 2.574 N/A LYS 117.A NZ GLN 145.A OE1 no hydrogen 3.068 N/A ASN 118.A N ASP 121.A OD2 no hydrogen 3.082 N/A ASN 118.A ND2 ASP 121.A OD2 no hydrogen 2.890 N/A ASP 121.A N ASN 118.A O no hydrogen 2.944 N/A PHE 122.A N GLN 119.A O no hydrogen 3.266 N/A LYS 123.A N LYS 120.A O no hydrogen 3.204 N/A LEU 127.A N LYS 123.A O no hydrogen 3.009 N/A SER 128.A N VAL 124.A O no hydrogen 3.132 N/A SER 128.A OG GLU 160.A O no hydrogen 3.423 N/A SER 128.A OG GLU 160.A OE1 no hydrogen 2.920 N/A GLU 129.A N LYS 125.A O no hydrogen 3.341 N/A TRP 130.A N ALA 126.A O no hydrogen 2.942 N/A ARG 131.A N SER 128.A O no hydrogen 3.380 N/A ARG 131.A NE SER 128.A O no hydrogen 2.920 N/A ARG 131.A NH1 ASP 135.A O no hydrogen 2.920 N/A ARG 131.A NH1 ASN 161.A O no hydrogen 3.291 N/A ARG 131.A NH2 SER 128.A OG no hydrogen 2.784 N/A ARG 131.A NH2 GLU 160.A O no hydrogen 2.644 N/A ARG 131.A NH2 ASN 161.A O no hydrogen 3.185 N/A GLU 132.A N GLU 129.A O no hydrogen 3.090 N/A LYS 134.A N ARG 131.A O no hydrogen 2.903 N/A LYS 134.A NZ ASP 133.A OD1 no hydrogen 2.922 N/A ASP 135.A N GLY 102.A O no hydrogen 3.256 N/A TYR 136.A N GLY 102.A O no hydrogen 3.206 N/A TYR 136.A OH GLU 187.A OE2 no hydrogen 2.576 N/A VAL 138.A N VAL 104.A O no hydrogen 2.925 N/A LEU 139.A N LEU 163.A O no hydrogen 2.892 N/A THR 140.A N ASP 106.A O no hydrogen 2.702 N/A ALA 141.A N PHE 165.A O no hydrogen 3.297 N/A PHE 143.A N GLU 168.A OE1 no hydrogen 2.998 N/A GLN 145.A N PRO 142.A O no hydrogen 2.976 N/A TYR 146.A N PHE 143.A O no hydrogen 3.215 N/A TYR 146.A OH PHE 165.A O no hydrogen 2.671 N/A THR 148.A OG1 THR 149.A OG1 no hydrogen 2.966 N/A THR 149.A OG1 THR 148.A OG1 no hydrogen 2.966 N/A SER 151.A N GLU 206.A O no hydrogen 2.793 N/A ILE 153.A N SER 151.A OG no hydrogen 3.196 N/A PHE 154.A N SER 151.A O no hydrogen 3.166 N/A LYS 155.A NZ ASP 159.A OD1 no hydrogen 3.519 N/A LYS 155.A NZ ASP 159.A OD2 no hydrogen 2.701 N/A GLN 156.A N GLN 152.A O no hydrogen 2.935 N/A GLN 156.A NE2 GLN 119.A OE1 no hydrogen 2.848 N/A SER 157.A N ILE 153.A O no hydrogen 2.935 N/A SER 157.A OG VAL 162.A O no hydrogen 2.700 N/A LEU 158.A N PHE 154.A O no hydrogen 3.148 N/A ASP 159.A N LYS 155.A O no hydrogen 2.814 N/A GLU 160.A N GLN 156.A O no hydrogen 2.920 N/A ASN 161.A ND2 ASN 191.A OD1 no hydrogen 2.944 N/A VAL 162.A N SER 157.A O no hydrogen 3.153 N/A LEU 163.A N ALA 137.A O no hydrogen 2.916 N/A PHE 165.A N LEU 139.A O no hydrogen 2.713 N/A SER 166.A OG GLU 168.A OE1 no hydrogen 3.535 N/A SER 166.A OG HIS 169.A ND1 no hydrogen 2.718 N/A TRP 167.A N ALA 141.A O no hydrogen 3.304 N/A TRP 167.A NE1 LYS 108.A O no hydrogen 2.881 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 2.652 N/A HIS 169.A N SER 166.A OG no hydrogen 3.010 N/A HIS 169.A ND1 SER 166.A OG no hydrogen 2.718 N/A HIS 169.A NE2 ASN 214.A OD1 no hydrogen 2.810 N/A LEU 170.A N SER 166.A O no hydrogen 3.123 N/A ALA 171.A N TRP 167.A O no hydrogen 2.754 N/A ILE 172.A N GLU 168.A O no hydrogen 2.985 N/A LEU 173.A N HIS 169.A O no hydrogen 3.038 N/A LEU 174.A N LEU 170.A O no hydrogen 3.016 N/A GLN 175.A N ALA 171.A O no hydrogen 2.930 N/A LEU 176.A N ILE 172.A O no hydrogen 2.945 N/A ASP 177.A N LEU 174.A O no hydrogen 2.859 N/A LEU 178.A N LEU 173.A O no hydrogen 2.973 N/A GLU 180.A N LEU 77.A O no hydrogen 2.732 N/A THR 181.A N PHE 184.A O no hydrogen 3.058 N/A PHE 184.A N THR 181.A O no hydrogen 2.798 N/A PHE 186.A N GLU 180.A OE2 no hydrogen 2.902 N/A GLU 187.A N SER 185.A OG no hydrogen 3.112 N/A LEU 189.A N PHE 186.A O no hydrogen 2.931 N/A TRP 190.A NE1 TYR 101.A OH no hydrogen 2.892 N/A ASN 191.A N GLU 187.A O no hydrogen 3.279 N/A ASN 191.A ND2 GLN 188.A OE1 no hydrogen 2.947 N/A PHE 192.A N LEU 189.A O no hydrogen 2.948 N/A LYS 194.A N ASN 161.A OD1 no hydrogen 3.019 N/A LYS 194.A N ASN 191.A O no hydrogen 3.244 N/A LYS 195.A N ASN 191.A O no hydrogen 3.387 N/A LYS 195.A NZ GLN 188.A OE1 no hydrogen 2.929 N/A GLN 196.A N PHE 192.A O no hydrogen 2.715 N/A GLN 196.A NE2 ASP 212.A OD2 no hydrogen 2.806 N/A SER 197.A N PRO 193.A O no hydrogen 2.853 N/A SER 197.A OG PRO 193.A O no hydrogen 3.488 N/A SER 197.A OG LYS 194.A O no hydrogen 2.636 N/A LYS 198.A N LYS 195.A O no hydrogen 3.227 N/A LYS 199.A N GLN 196.A O no hydrogen 3.168 N/A THR 200.A N SER 197.A O no hydrogen 3.151 N/A THR 200.A OG1 GLN 196.A O no hydrogen 2.819 N/A ASP 204.A N SER 201.A O no hydrogen 3.141 N/A ASP 204.A N SER 201.A OG no hydrogen 3.147 N/A ASN 207.A N ASP 204.A O no hydrogen 2.940 N/A ASN 208.A N THR 149.A O no hydrogen 2.943 N/A ASN 208.A ND2 PRO 147.A O no hydrogen 2.904 N/A MET 210.A N ASN 208.A OD1 no hydrogen 2.881 N/A PHE 213.A N PHE 209.A O no hydrogen 2.758 N/A ASN 214.A N MET 210.A O no hydrogen 2.712 N/A LYS 215.A N ARG 211.A O no hydrogen 3.062 N/A TYR 216.A N ASP 212.A O no hydrogen 2.961 N/A TYR 216.A OH GLN 188.A O no hydrogen 2.456 N/A PHE 217.A N PHE 213.A O no hydrogen 2.845 N/A MET 218.A N ASN 214.A O no hydrogen 2.935 N/A ASP 219.A N LYS 215.A O no hydrogen 2.953 N/A LEU 220.A N TYR 216.A O no hydrogen 2.890 N/A PHE 221.A N PHE 217.A O no hydrogen 2.991 N/A ILE 223.A N MET 218.A O no hydrogen 2.955 N/A THR 227.A N ASP 224.A OD1 no hydrogen 2.963 N/A THR 227.A OG1 ASP 224.A OD1 no hydrogen 2.333 N/A LEU 228.A N ASP 224.A O no hydrogen 3.067 N/A ASN 229.A N LYS 225.A O no hydrogen 2.926 N/A ASN 229.A ND2 GLN 233.A OE1 no hydrogen 3.139 N/A GLN 230.A N ASP 226.A O no hydrogen 2.895 N/A LEU 231.A N THR 227.A O no hydrogen 2.841 N/A LEU 232.A N LEU 228.A O no hydrogen 2.773 N/A GLN 233.A N ASN 229.A O no hydrogen 2.951 N/A LYS 234.A N GLN 230.A O no hydrogen 2.994 N/A GLU 235.A N LEU 231.A O no hydrogen 3.053 N/A ILE 236.A N LEU 232.A O no hydrogen 2.971 N/A ASN 237.A N GLN 233.A O no hydrogen 2.960 N/A PHE 238.A N LYS 234.A O no hydrogen 2.949 N/A ILE 239.A N GLU 235.A O no hydrogen 3.022 N/A GLU 240.A N ILE 236.A O no hydrogen 2.974 N/A GLU 241.A N ASN 237.A O no hydrogen 3.029 N/A ARG 242.A N PHE 238.A O no hydrogen 3.037 N/A ARG 242.A NE GLU 246.A OE2 no hydrogen 2.711 N/A ARG 242.A NH1 SER 44.A O no hydrogen 3.040 N/A ARG 242.A NH2 ILE 47.A O no hydrogen 2.950 N/A ARG 242.A NH2 GLU 246.A OE2 no hydrogen 2.919 N/A SER 243.A N ILE 239.A O no hydrogen 2.944 N/A SER 243.A OG GLU 240.A O no hydrogen 2.492 N/A LEU 244.A N GLU 240.A O no hydrogen 3.456 N/A GLU 246.A N ARG 242.A O no hydrogen 3.083 N/A LYS 247.A N SER 243.A O no hydrogen 2.839 N/A GLU 248.A N LEU 244.A O no hydrogen 3.123 N/A TYR 249.A N ILE 245.A O no hydrogen 3.313 N/A TRP 250.A NE1 GLU 50.A OE1 no hydrogen 2.833 N/A LYS 251.A N LYS 247.A O no hydrogen 3.158 N/A LYS 252.A N GLU 248.A O no hydrogen 3.179 N/A GLN 253.A N TYR 249.A O no hydrogen 2.979 N/A ILE 254.A N TRP 250.A O no hydrogen 3.092 N/A ASN 255.A N LYS 252.A O no hydrogen 3.072 N/A ILE 256.A N LYS 252.A O no hydrogen 3.155 N/A ILE 257.A N GLN 253.A O no hydrogen 3.002 N/A LYS 258.A N ILE 254.A O no hydrogen 2.989 N/A ASN 259.A N ILE 256.A O no hydrogen 3.230 N/A ASN 259.A ND2 ASN 259.A O no hydrogen 3.342 N/A PHE 260.A N ILE 257.A O no hydrogen 2.964 N/A THR 261.A N GLU 264.A OE1 no hydrogen 3.068 N/A THR 261.A OG1 GLU 264.A OE1 no hydrogen 3.262 N/A GLU 264.A N THR 261.A OG1 no hydrogen 3.277 N/A ALA 265.A N THR 261.A O no hydrogen 2.905 N/A ILE 266.A N ARG 262.A O no hydrogen 3.082 N/A GLU 267.A N GLU 263.A O no hydrogen 2.993 N/A ALA 268.A N GLU 264.A O no hydrogen 2.823 N/A LEU 269.A N ALA 265.A O no hydrogen 2.966 N/A LEU 270.A N ILE 266.A O no hydrogen 2.902 N/A LYS 271.A N ALA 268.A O no hydrogen 3.178 N/A ASP 272.A N ALA 268.A O no hydrogen 3.294 N/A ILE 273.A N LEU 269.A O no hydrogen 3.008 N/A MET 275.A N ILE 273.A O no hydrogen 3.019 N/A LYS 278.A N ASN 274.A O no hydrogen 3.192 N/A ILE 279.A N MET 275.A O no hydrogen 3.220 N/A GLU 280.A N SER 276.A O no hydrogen 2.990 N/A THR 281.A N SER 277.A O no hydrogen 2.776 N/A THR 281.A OG1 SER 277.A O no hydrogen 2.868 N/A ILE 282.A N LYS 278.A O no hydrogen 3.073 N/A ASP 283.A N ILE 279.A O no hydrogen 2.968 N/A SER 284.A N GLU 280.A O no hydrogen 3.036 N/A SER 284.A OG GLU 280.A O no hydrogen 2.759 N/A PHE 285.A N THR 281.A O no hydrogen 2.880 N/A ILE 286.A N ILE 282.A O no hydrogen 2.897 N/A LYS 287.A N ASP 283.A O no hydrogen 2.767 N/A GLY 288.A N SER 284.A O no hydrogen 2.760 N/A ILE 289.A N PHE 285.A O no hydrogen 3.005 N/A LYS 290.A N ILE 286.A O no hydrogen 3.271 N/A LYS 290.A N LYS 287.A O no hydrogen 3.294 N/A SER 291.A N GLY 288.A O no hydrogen 3.316 N/A SER 291.A OG GLY 288.A O no hydrogen 3.107 N/A ARG 294.A N SER 291.A O no hydrogen 2.702 N/A LEU 295.A N ASN 292.A O no hydrogen 3.199 N/A TYR 296.A N ASP 293.A O no hydrogen 3.462 N/A