Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kan_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG ASN 1.A O no hydrogen 2.388 N/A HIS 10.A ND1 HIS 11.A O no hydrogen 3.184 N/A VAL 13.A N ASN 315.A OD1 no hydrogen 2.829 N/A GLY 16.A N GLU 28.A OE1 no hydrogen 2.830 N/A THR 17.A N VAL 29.A O no hydrogen 2.824 N/A VAL 19.A N ILE 27.A O no hydrogen 3.118 N/A THR 21.A N ASP 24.A O no hydrogen 2.950 N/A THR 21.A OG1 THR 23.A OG1 no hydrogen 3.401 N/A THR 23.A N THR 21.A OG1 no hydrogen 3.296 N/A THR 23.A OG1 THR 21.A OG1 no hydrogen 3.401 N/A ASP 24.A N THR 21.A OG1 no hydrogen 3.032 N/A GLN 26.A N ASP 24.A OD1 no hydrogen 2.878 N/A ILE 27.A N VAL 19.A O no hydrogen 3.150 N/A VAL 29.A N THR 17.A O no hydrogen 2.673 N/A THR 30.A N MET 313.A O no hydrogen 2.910 N/A THR 30.A OG1 MET 313.A O no hydrogen 3.349 N/A ALA 32.A N ASN 31.A OD1 no hydrogen 3.085 N/A THR 33.A N LEU 309.A O no hydrogen 2.796 N/A LEU 35.A N LEU 307.A O no hydrogen 2.917 N/A VAL 36.A N GLU 34.A OE2 no hydrogen 2.951 N/A GLN 37.A N PHE 287.A O no hydrogen 2.953 N/A GLN 37.A NE2 SER 39.A O no hydrogen 3.389 N/A SER 40.A OG ASN 278.A O no hydrogen 3.210 N/A SER 40.A OG SER 280.A O no hydrogen 3.208 N/A THR 41.A OG1 LYS 43.A O no hydrogen 3.336 N/A GLY 42.A N SER 40.A OG no hydrogen 3.239 N/A LYS 43.A N THR 41.A OG1 no hydrogen 3.381 N/A ILE 44.A N PRO 266.A O no hydrogen 2.738 N/A CYS 45.A N SER 280.A OG no hydrogen 2.899 N/A CYS 45.A SG SER 280.A OG no hydrogen 3.533 N/A ASN 46.A N ASP 268.A O no hydrogen 3.016 N/A ASN 47.A N CYS 270.A O no hydrogen 3.235 N/A ASN 47.A ND2 ASN 46.A OD1 no hydrogen 3.470 N/A HIS 49.A NE2 GLU 273.A O no hydrogen 2.921 N/A ARG 50.A N ASP 78.A OD2 no hydrogen 2.878 N/A ARG 50.A NE THR 76.A O no hydrogen 3.038 N/A ARG 50.A NH2 THR 76.A O no hydrogen 3.425 N/A LEU 52.A N LEU 79.A O no hydrogen 2.974 N/A GLY 54.A N VAL 81.A O no hydrogen 2.949 N/A ILE 55.A N ASP 53.A OD1 no hydrogen 2.993 N/A CYS 57.A N GLY 54.A O no hydrogen 2.986 N/A CYS 57.A SG HIS 68.A O no hydrogen 3.529 N/A THR 58.A OG1 ASP 61.A OD2 no hydrogen 2.862 N/A LEU 59.A N GLU 82.A OE2 no hydrogen 3.227 N/A ASP 61.A N THR 58.A OG1 no hydrogen 3.029 N/A ALA 62.A N THR 58.A O no hydrogen 3.094 N/A LEU 63.A N LEU 59.A O no hydrogen 2.997 N/A LEU 64.A N ILE 60.A O no hydrogen 3.102 N/A GLY 65.A N ASP 61.A O no hydrogen 3.125 N/A ASP 66.A N ASP 61.A O no hydrogen 2.952 N/A HIS 68.A ND1 ASP 66.A OD1 no hydrogen 2.768 N/A CYS 69.A N ASP 66.A O no hydrogen 2.584 N/A PHE 72.A N CYS 69.A O no hydrogen 3.431 N/A GLN 73.A N ASP 70.A O no hydrogen 3.337 N/A GLN 73.A NE2 SER 142.A OG no hydrogen 3.421 N/A GLU 75.A N PHE 72.A O no hydrogen 3.174 N/A THR 76.A OG1 GLY 109.A O no hydrogen 2.998 N/A TRP 77.A N GLY 109.A O no hydrogen 3.028 N/A ASP 78.A N ARG 50.A O no hydrogen 2.814 N/A LEU 79.A N ARG 50.A O no hydrogen 3.238 N/A PHE 80.A N SER 259.A O no hydrogen 3.057 N/A VAL 81.A N LEU 52.A O no hydrogen 2.947 N/A GLU 82.A N MET 261.A O no hydrogen 2.845 N/A ARG 83.A NE ASP 53.A OD1 no hydrogen 2.988 N/A ARG 83.A NH1 SER 263.A O no hydrogen 2.997 N/A ARG 83.A NH1 ALA 265.A O no hydrogen 2.690 N/A ARG 83.A NH2 ASP 53.A OD2 no hydrogen 3.228 N/A ARG 83.A NH2 ALA 265.A O no hydrogen 2.983 N/A SER 84.A N ASP 264.A OD1 no hydrogen 3.147 N/A SER 84.A OG ASP 264.A OD1 no hydrogen 3.038 N/A SER 84.A OG ASP 264.A OD2 no hydrogen 2.977 N/A ALA 86.A N ARG 83.A O no hydrogen 3.342 N/A PHE 87.A N ASP 56.A O no hydrogen 3.140 N/A SER 88.A OG ASP 61.A OD1 no hydrogen 3.247 N/A SER 88.A OG ASP 61.A OD2 no hydrogen 3.377 N/A ASN 89.A N ASP 66.A OD2 no hydrogen 3.106 N/A TYR 93.A OH ASP 61.A OD1 no hydrogen 2.920 N/A ASP 94.A N ILE 223.A O no hydrogen 3.018 N/A SER 100.A OG ASP 97.A OD1 no hydrogen 2.763 N/A SER 100.A OG ASP 97.A OD2 no hydrogen 3.316 N/A LEU 101.A N ASP 97.A O no hydrogen 3.414 N/A ARG 102.A N TYR 98.A O no hydrogen 2.848 N/A ARG 102.A NE GLU 82.A OE1 no hydrogen 3.367 N/A ARG 102.A NH2 GLU 82.A OE1 no hydrogen 3.233 N/A SER 103.A N ALA 99.A O no hydrogen 2.877 N/A LEU 104.A N SER 100.A O no hydrogen 2.867 N/A VAL 105.A N LEU 101.A O no hydrogen 3.025 N/A ALA 106.A N ARG 102.A O no hydrogen 2.986 N/A SER 107.A N SER 103.A O no hydrogen 3.000 N/A SER 107.A OG SER 103.A O no hydrogen 3.041 N/A SER 108.A N LEU 104.A O no hydrogen 3.224 N/A GLY 109.A N VAL 105.A O no hydrogen 3.185 N/A LEU 111.A N GLU 75.A O no hydrogen 3.067 N/A GLU 112.A N THR 110.A OG1 no hydrogen 3.189 N/A ILE 114.A N TYR 250.A O no hydrogen 2.904 N/A GLU 116.A N ARG 248.A O no hydrogen 2.880 N/A THR 124.A N THR 148.A O no hydrogen 2.864 N/A THR 124.A OG1 LYS 149.A O no hydrogen 2.987 N/A ASN 126.A N ASN 145.A OD1 no hydrogen 2.809 N/A GLY 127.A N TRP 146.A O no hydrogen 3.077 N/A SER 129.A N GLY 139.A O no hydrogen 2.864 N/A ALA 131.A N SER 129.A OG no hydrogen 3.112 N/A CYS 132.A N SER 129.A O no hydrogen 3.235 N/A ARG 134.A N GLY 137.A O no hydrogen 3.166 N/A ARG 134.A NE ASP 70.A OD2 no hydrogen 3.381 N/A ARG 134.A NH1 PHE 140.A O no hydrogen 3.115 N/A ARG 134.A NH2 PHE 140.A O no hydrogen 3.112 N/A GLY 139.A N SER 129.A O no hydrogen 3.284 N/A SER 142.A N GLY 65.A O no hydrogen 3.213 N/A ARG 143.A N LEU 64.A O no hydrogen 3.044 N/A LEU 144.A N PHE 141.A O no hydrogen 3.110 N/A ASN 145.A N ALA 246.A O no hydrogen 2.707 N/A ASN 145.A ND2 GLN 125.A OE1 no hydrogen 3.136 N/A TRP 146.A NE1 TYR 188.A OH no hydrogen 3.038 N/A THR 148.A N THR 124.A O no hydrogen 2.981 N/A LYS 149.A N LEU 187.A O no hydrogen 2.815 N/A LYS 149.A NZ SER 186.A O no hydrogen 2.594 N/A SER 150.A N THR 153.A O no hydrogen 3.094 N/A THR 153.A N SER 150.A O no hydrogen 3.444 N/A THR 153.A OG1 SER 150.A O no hydrogen 3.547 N/A LEU 157.A N SER 240.A O no hydrogen 2.664 N/A VAL 159.A N ILE 238.A O no hydrogen 3.106 N/A MET 161.A N LEU 236.A O no hydrogen 2.827 N/A ASN 163.A N ASP 234.A O no hydrogen 2.927 N/A ASN 163.A ND2 PHE 167.A O no hydrogen 2.992 N/A ASN 163.A ND2 VAL 230.A O no hydrogen 2.835 N/A ASP 165.A N ASN 163.A OD1 no hydrogen 3.205 N/A LYS 169.A N VAL 230.A O no hydrogen 2.943 N/A LYS 169.A NZ GLU 116.A OE2 no hydrogen 3.557 N/A LYS 169.A NZ PRO 162.A O no hydrogen 3.521 N/A LEU 170.A N PHE 251.A O no hydrogen 2.840 N/A TYR 171.A N THR 228.A O no hydrogen 2.884 N/A TYR 171.A OH GLU 116.A OE1 no hydrogen 2.902 N/A TRP 173.A N TYR 226.A O no hydrogen 3.096 N/A TRP 173.A NE1 THR 228.A OG1 no hydrogen 2.982 N/A GLY 174.A N ILE 245.A O no hydrogen 2.896 N/A VAL 175.A N SER 224.A O no hydrogen 2.991 N/A HIS 176.A N ASN 243.A O no hydrogen 2.886 N/A HIS 177.A N ARG 222.A O no hydrogen 2.989 N/A SER 179.A N GLU 183.A OE1 no hydrogen 2.893 N/A SER 179.A OG GLU 183.A OE1 no hydrogen 2.867 N/A SER 179.A OG SER 220.A OG no hydrogen 3.244 N/A SER 179.A OG SER 221.A OG no hydrogen 3.287 N/A GLN 182.A N GLN 182.A OE1 no hydrogen 2.900 N/A GLU 183.A N THR 180.A OG1 no hydrogen 3.331 N/A GLN 184.A N THR 180.A O no hydrogen 3.212 N/A GLN 184.A NE2 GLN 190.A O no hydrogen 3.109 N/A GLN 184.A NE2 ASN 243.A OD1 no hydrogen 2.858 N/A THR 185.A N ASN 181.A O no hydrogen 3.151 N/A THR 185.A OG1 ASN 181.A O no hydrogen 3.240 N/A THR 185.A OG1 GLN 182.A O no hydrogen 2.813 N/A SER 186.A N GLN 182.A O no hydrogen 2.897 N/A SER 186.A OG GLN 182.A O no hydrogen 3.258 N/A SER 186.A OG GLU 183.A O no hydrogen 2.792 N/A LEU 187.A N GLU 183.A O no hydrogen 3.180 N/A TYR 188.A N GLN 184.A O no hydrogen 2.878 N/A TYR 188.A OH HIS 176.A ND1 no hydrogen 3.013 N/A VAL 189.A N THR 185.A O no hydrogen 2.825 N/A GLN 190.A N TYR 188.A O no hydrogen 2.526 N/A GLN 190.A NE2 TYR 154.A O no hydrogen 2.786 N/A ARG 194.A NH1 THR 196.A OG1 no hydrogen 3.206 N/A ARG 194.A NH1 ASN 239.A OD1 no hydrogen 3.415 N/A ARG 194.A NH2 ASN 239.A OD1 no hydrogen 2.715 N/A VAL 195.A N ILE 206.A O no hydrogen 3.116 N/A THR 196.A N ASN 239.A O no hydrogen 2.859 N/A THR 196.A OG1 THR 205.A OG1 no hydrogen 3.101 N/A VAL 197.A N GLN 204.A O no hydrogen 3.212 N/A SER 198.A N VAL 237.A O no hydrogen 2.799 N/A SER 198.A OG GLN 203.A OE1 no hydrogen 3.188 N/A THR 199.A N SER 202.A O no hydrogen 3.010 N/A THR 199.A OG1 SER 202.A O no hydrogen 3.500 N/A ARG 200.A N ASP 234.A OD1 no hydrogen 3.010 N/A SER 202.A N THR 199.A OG1 no hydrogen 3.099 N/A GLN 203.A NE2 THR 205.A OG1 no hydrogen 2.953 N/A GLN 204.A N VAL 197.A O no hydrogen 3.011 N/A GLN 204.A NE2 TRP 227.A O no hydrogen 3.099 N/A THR 205.A OG1 THR 196.A OG1 no hydrogen 3.101 N/A ILE 206.A N VAL 195.A O no hydrogen 3.011 N/A ASN 209.A N HIS 177.A ND1 no hydrogen 3.215 N/A GLU 211.A N PRO 178.A O no hydrogen 2.909 N/A ARG 213.A N SER 220.A O no hydrogen 3.168 N/A VAL 216.A N LEU 219.A O no hydrogen 2.884 N/A LEU 219.A N VAL 216.A O no hydrogen 3.217 N/A SER 221.A OG SER 179.A OG no hydrogen 3.287 N/A SER 221.A OG GLU 183.A OE1 no hydrogen 3.144 N/A SER 221.A OG GLU 183.A OE2 no hydrogen 3.420 N/A ARG 222.A N HIS 177.A O no hydrogen 3.372 N/A ARG 222.A NH1 PRO 214.A O no hydrogen 2.701 N/A ARG 222.A NH2 LEU 219.A O no hydrogen 3.194 N/A ARG 222.A NH2 SER 221.A O no hydrogen 2.371 N/A ILE 223.A N PRO 92.A O no hydrogen 3.310 N/A SER 224.A N VAL 175.A O no hydrogen 2.966 N/A SER 224.A OG ASP 94.A OD2 no hydrogen 3.020 N/A SER 224.A OG HIS 177.A NE2 no hydrogen 2.943 N/A ILE 225.A N ASP 94.A O no hydrogen 3.028 N/A TYR 226.A N TRP 173.A O no hydrogen 2.827 N/A THR 228.A N TYR 171.A O no hydrogen 3.075 N/A VAL 230.A N LYS 169.A O no hydrogen 2.868 N/A GLY 233.A N ASN 163.A O no hydrogen 2.924 N/A ASP 234.A N LYS 231.A O no hydrogen 3.072 N/A VAL 235.A N ASP 234.A OD1 no hydrogen 2.666 N/A LEU 236.A N MET 161.A O no hydrogen 2.931 N/A VAL 237.A N SER 198.A O no hydrogen 2.947 N/A ILE 238.A N VAL 159.A O no hydrogen 2.980 N/A ASN 239.A N THR 196.A O no hydrogen 2.770 N/A ASN 239.A ND2 ASN 158.A OD1 no hydrogen 3.315 N/A SER 240.A N LEU 157.A O no hydrogen 3.089 N/A SER 240.A OG ARG 194.A O no hydrogen 3.246 N/A SER 240.A OG GLY 242.A O no hydrogen 3.236 N/A ASN 241.A N ARG 194.A O no hydrogen 3.350 N/A GLY 242.A N SER 240.A OG no hydrogen 3.049 N/A ASN 243.A ND2 HIS 176.A O no hydrogen 2.874 N/A ASN 243.A ND2 GLN 184.A OE1 no hydrogen 3.004 N/A ILE 245.A N GLY 174.A O no hydrogen 2.884 N/A ALA 246.A N ASN 145.A O no hydrogen 2.840 N/A ARG 248.A NE LEU 144.A O no hydrogen 3.057 N/A ARG 248.A NH2 LEU 144.A O no hydrogen 3.336 N/A TYR 250.A N ILE 114.A O no hydrogen 3.046 N/A PHE 251.A N LEU 170.A O no hydrogen 2.697 N/A LYS 252.A N GLU 112.A O no hydrogen 3.309 N/A MET 253.A N ASP 168.A O no hydrogen 3.417 N/A ARG 254.A N SER 108.A OG no hydrogen 3.023 N/A ARG 254.A NH2 GLU 112.A OE1 no hydrogen 2.768 N/A SER 258.A OG TRP 77.A O no hydrogen 2.798 N/A SER 259.A N ASP 78.A O no hydrogen 2.951 N/A ILE 260.A N SER 259.A OG no hydrogen 2.666 N/A MET 261.A N PHE 80.A O no hydrogen 2.810 N/A SER 263.A N GLU 82.A O no hydrogen 3.100 N/A SER 263.A OG PRO 277.A O no hydrogen 2.642 N/A ALA 265.A N SER 263.A OG no hydrogen 3.146 N/A ASP 268.A N ILE 44.A O no hydrogen 2.842 N/A CYS 270.A N ASN 46.A OD1 no hydrogen 3.350 N/A CYS 270.A SG ASP 268.A OD2 no hydrogen 3.540 N/A SER 272.A N ASN 47.A O no hydrogen 2.982 N/A SER 272.A OG CYS 274.A O no hydrogen 3.359 N/A ILE 275.A N TYR 295.A O no hydrogen 2.937 N/A THR 276.A N GLY 279.A O no hydrogen 3.043 N/A THR 276.A OG1 GLY 279.A O no hydrogen 2.874 N/A ASN 278.A N THR 276.A OG1 no hydrogen 3.121 N/A GLY 279.A N THR 276.A O no hydrogen 2.779 N/A SER 280.A N LYS 43.A O no hydrogen 2.779 N/A ILE 281.A N CYS 274.A O no hydrogen 3.374 N/A ASN 283.A ND2 ALA 297.A O no hydrogen 3.522 N/A LYS 285.A NZ GLN 37.A OE1 no hydrogen 3.327 N/A LYS 285.A NZ ASP 284.A OD2 no hydrogen 3.405 N/A PHE 287.A N LEU 35.A O no hydrogen 3.102 N/A GLN 288.A N LYS 300.A O no hydrogen 3.014 N/A GLN 288.A NE2 ASN 291.A O no hydrogen 2.837 N/A GLN 288.A NE2 PRO 299.A O no hydrogen 3.682 N/A ASN 289.A N GLN 37.A O no hydrogen 2.647 N/A VAL 290.A N GLN 288.A OE1 no hydrogen 2.839 N/A ASN 291.A N GLN 288.A OE1 no hydrogen 3.249 N/A ASN 291.A ND2 ASN 278.A OD1 no hydrogen 2.747 N/A ILE 293.A N ASN 291.A OD1 no hydrogen 2.934 N/A TYR 295.A N ILE 275.A O no hydrogen 2.909 N/A TYR 295.A OH LYS 257.A O no hydrogen 2.688 N/A CYS 298.A SG TYR 295.A O no hydrogen 3.387 N/A CYS 298.A SG GLY 296.A O no hydrogen 3.784 N/A LYS 300.A N PRO 286.A O no hydrogen 3.162 N/A VAL 302.A N GLN 288.A O no hydrogen 2.918 N/A GLN 304.A N GLN 304.A OE1 no hydrogen 2.690 N/A THR 306.A OG1 GLU 34.A OE1 no hydrogen 2.803 N/A LEU 307.A N GLU 34.A OE2 no hydrogen 2.767 N/A LEU 309.A N THR 33.A O no hydrogen 2.779 N/A THR 311.A N ASN 31.A O no hydrogen 2.717 N/A THR 311.A OG1 LEU 309.A O no hydrogen 3.306 N/A ASN 315.A N GLU 28.A O no hydrogen 2.997 N/A ASN 315.A ND2 VAL 13.A O no hydrogen 2.783 N/A