Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6kac_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 THR 3.A O no hydrogen 2.634 N/A ARG 8.A NH2 ASP 12.A O no hydrogen 2.960 N/A ARG 8.A NH2 ASP 16.A OD2 no hydrogen 3.008 N/A ALA 14.A N TRP 10.A O no hydrogen 3.159 N/A ALA 14.A N PHE 11.A O no hydrogen 2.931 N/A ASP 15.A N PHE 11.A O no hydrogen 2.602 N/A ASP 16.A N ASP 12.A O no hydrogen 3.340 N/A LEU 18.A N ALA 14.A O no hydrogen 3.100 N/A ARG 19.A N ASP 15.A O no hydrogen 3.002 N/A ARG 19.A NH1 ASP 15.A OD2 no hydrogen 3.522 N/A ARG 19.A NH2 SER 131.A OG no hydrogen 3.363 N/A ARG 22.A NH1 TRP 17.A O no hydrogen 3.142 N/A ARG 22.A NH2 TRP 17.A O no hydrogen 3.133 N/A GLY 27.A N LEU 18.A O no hydrogen 2.970 N/A TRP 28.A N GLU 127.A OE2 no hydrogen 2.559 N/A TRP 28.A NE1 ASP 15.A OD1 no hydrogen 2.559 N/A SER 29.A N GLU 127.A OE1 no hydrogen 2.885 N/A SER 29.A OG GLU 127.A OE1 no hydrogen 2.988 N/A LEU 31.A N TRP 28.A O no hydrogen 3.358 N/A LEU 32.A N SER 29.A O no hydrogen 2.823 N/A LEU 33.A N SER 29.A O no hydrogen 2.742 N/A CYS 36.A SG LEU 32.A O no hydrogen 3.422 N/A ALA 37.A N LEU 33.A O no hydrogen 2.602 N/A PHE 39.A N CYS 36.A O no hydrogen 3.195 N/A ALA 40.A N CYS 36.A O no hydrogen 2.964 N/A LEU 41.A N ALA 37.A O no hydrogen 3.232 N/A GLY 42.A N TYR 38.A O no hydrogen 2.843 N/A GLY 43.A N PHE 39.A O no hydrogen 2.714 N/A TRP 44.A N ALA 40.A O no hydrogen 2.878 N/A TRP 44.A NE1 PHE 169.A O no hydrogen 2.734 N/A LEU 45.A N LEU 41.A O no hydrogen 3.066 N/A THR 46.A N GLY 42.A O no hydrogen 3.156 N/A THR 46.A OG1 GLY 42.A O no hydrogen 2.641 N/A GLY 47.A N GLY 43.A O no hydrogen 2.967 N/A THR 48.A N TRP 44.A O no hydrogen 2.958 N/A THR 48.A OG1 TRP 44.A O no hydrogen 2.752 N/A THR 49.A N THR 46.A O no hydrogen 3.165 N/A THR 49.A OG1 LEU 45.A O no hydrogen 2.432 N/A PHE 50.A N THR 46.A O no hydrogen 2.853 N/A THR 52.A OG1 GLU 65.A OE2 no hydrogen 2.474 N/A SER 53.A OG THR 61.A OG1 no hydrogen 2.392 N/A SER 53.A OG SER 75.A OG no hydrogen 3.082 N/A TRP 54.A N THR 52.A OG1 no hydrogen 3.077 N/A THR 56.A OG1 THR 76.A O no hydrogen 3.507 N/A HIS 57.A N SER 53.A O no hydrogen 3.108 N/A HIS 57.A NE2 THR 76.A OG1 no hydrogen 2.764 N/A LEU 59.A N SER 53.A O no hydrogen 3.442 N/A THR 61.A OG1 SER 53.A OG no hydrogen 2.392 N/A THR 61.A OG1 ALA 73.A O no hydrogen 3.242 N/A SER 62.A N GLU 65.A OE1 no hydrogen 2.550 N/A TYR 63.A N THR 48.A O no hydrogen 3.083 N/A LEU 64.A N THR 49.A O no hydrogen 3.243 N/A GLU 65.A N SER 62.A O no hydrogen 3.098 N/A GLY 66.A N SER 62.A O no hydrogen 3.211 N/A CYS 67.A N SER 62.A O no hydrogen 3.067 N/A CYS 67.A SG ALA 60.A O no hydrogen 3.218 N/A ASN 68.A N THR 71.A OG1 no hydrogen 3.351 N/A THR 71.A N ASN 68.A OD1 no hydrogen 3.321 N/A THR 71.A OG1 ASN 68.A OD1 no hydrogen 2.943 N/A ALA 72.A N ASN 68.A O no hydrogen 3.014 N/A ALA 73.A N THR 61.A O no hydrogen 2.957 N/A VAL 74.A N PHE 169.A O no hydrogen 3.100 N/A SER 75.A OG SER 53.A OG no hydrogen 3.082 N/A THR 76.A N SER 168.A OG no hydrogen 3.224 N/A THR 76.A OG1 HIS 57.A NE2 no hydrogen 2.764 N/A THR 76.A OG1 PHE 164.A O no hydrogen 2.928 N/A MET 81.A N ALA 78.A O no hydrogen 3.193 N/A HIS 83.A NE2 PRO 157.A O no hydrogen 2.414 N/A SER 84.A N MET 81.A O no hydrogen 2.776 N/A SER 84.A OG GLU 92.A OE1 no hydrogen 2.802 N/A SER 84.A OG GLU 92.A OE2 no hydrogen 3.018 N/A LEU 86.A N SER 84.A OG no hydrogen 3.178 N/A GLY 90.A N PHE 87.A O no hydrogen 2.766 N/A GLU 92.A N GLU 92.A OE1 no hydrogen 2.961 N/A GLN 94.A N GLY 90.A O no hydrogen 2.960 N/A GLN 94.A NE2 PRO 91.A O no hydrogen 2.656 N/A GLY 95.A N VAL 88.A O no hydrogen 2.568 N/A ARG 99.A NH1 GLN 102.A OE1 no hydrogen 2.665 N/A TRP 100.A N ASP 96.A O no hydrogen 3.111 N/A TRP 100.A NE1 LEU 86.A O no hydrogen 2.680 N/A CYS 101.A N PHE 97.A O no hydrogen 3.072 N/A CYS 101.A SG PHE 97.A O no hydrogen 3.422 N/A LEU 103.A N ARG 99.A O no hydrogen 2.743 N/A GLY 104.A N CYS 101.A O no hydrogen 3.344 N/A GLY 105.A N TRP 100.A O no hydrogen 2.871 N/A TRP 107.A N GLY 104.A O no hydrogen 3.179 N/A TRP 107.A NE1 PRO 167.A O no hydrogen 3.164 N/A PHE 109.A N GLY 105.A O no hydrogen 3.104 N/A VAL 110.A N LEU 106.A O no hydrogen 3.372 N/A ALA 111.A N TRP 107.A O no hydrogen 2.869 N/A LEU 112.A N ALA 108.A O no hydrogen 3.050 N/A HIS 113.A N PHE 109.A O no hydrogen 3.213 N/A HIS 113.A ND1 PHE 109.A O no hydrogen 2.769 N/A GLY 114.A N VAL 110.A O no hydrogen 2.755 N/A ALA 115.A N ALA 111.A O no hydrogen 3.053 N/A PHE 116.A N LEU 112.A O no hydrogen 2.941 N/A GLY 117.A N HIS 113.A O no hydrogen 2.830 N/A LEU 118.A N GLY 114.A O no hydrogen 3.040 N/A ILE 119.A N ALA 115.A O no hydrogen 3.262 N/A GLY 120.A N PHE 116.A O no hydrogen 3.091 N/A PHE 121.A N GLY 117.A O no hydrogen 2.774 N/A MET 122.A N LEU 118.A O no hydrogen 3.007 N/A LEU 123.A N ILE 119.A O no hydrogen 2.939 N/A ARG 124.A N GLY 120.A O no hydrogen 3.100 N/A ARG 124.A NH1 PHE 25.A O no hydrogen 2.506 N/A ARG 124.A NH2 PHE 25.A O no hydrogen 3.014 N/A PHE 126.A N MET 122.A O no hydrogen 3.232 N/A GLU 127.A N LEU 123.A O no hydrogen 3.005 N/A ILE 128.A N ARG 124.A O no hydrogen 2.848 N/A ARG 130.A N PHE 126.A O no hydrogen 3.110 N/A ARG 130.A NE ARG 130.A O no hydrogen 3.340 N/A SER 131.A N GLU 127.A O no hydrogen 3.194 N/A SER 131.A OG GLU 127.A O no hydrogen 3.089 N/A VAL 132.A N ILE 128.A O no hydrogen 2.781 N/A LEU 134.A N ALA 129.A O no hydrogen 2.796 N/A ALA 141.A N TYR 137.A O no hydrogen 3.237 N/A PHE 142.A N ALA 139.A O no hydrogen 2.849 N/A SER 143.A N ILE 140.A O no hydrogen 3.388 N/A SER 143.A OG ILE 140.A O no hydrogen 2.438 N/A ALA 144.A N ALA 141.A O no hydrogen 3.404 N/A ILE 146.A N PHE 142.A O no hydrogen 3.273 N/A ALA 147.A N SER 143.A O no hydrogen 2.616 N/A VAL 148.A N ALA 144.A O no hydrogen 2.939 N/A PHE 149.A N PRO 145.A O no hydrogen 2.980 N/A VAL 150.A N ILE 146.A O no hydrogen 2.965 N/A SER 151.A N ALA 147.A O no hydrogen 3.388 N/A SER 151.A OG ALA 147.A O no hydrogen 2.753 N/A SER 151.A OG VAL 148.A O no hydrogen 3.221 N/A VAL 152.A N VAL 148.A O no hydrogen 3.182 N/A PHE 153.A N PHE 149.A O no hydrogen 2.904 N/A LEU 154.A N VAL 150.A O no hydrogen 3.046 N/A ILE 155.A N VAL 150.A O no hydrogen 2.512 N/A TYR 156.A N SER 151.A O no hydrogen 3.034 N/A TYR 156.A OH HIS 185.A NE2 no hydrogen 3.087 N/A LEU 158.A N LEU 154.A O no hydrogen 3.424 N/A GLY 159.A N ILE 155.A O no hydrogen 3.309 N/A GLN 160.A N TYR 156.A O no hydrogen 3.290 N/A GLN 160.A N PRO 157.A O no hydrogen 3.302 N/A GLN 160.A NE2 ASN 288.A OD1 no hydrogen 2.872 N/A SER 161.A OG ASN 79.A OD1 no hydrogen 2.842 N/A TRP 163.A N ALA 82.A O no hydrogen 2.844 N/A ALA 166.A N TRP 163.A O no hydrogen 3.315 N/A PHE 169.A N VAL 74.A O no hydrogen 3.110 N/A GLY 170.A N SER 168.A O no hydrogen 3.112 N/A ALA 172.A N LEU 70.A O no hydrogen 2.669 N/A PHE 175.A N VAL 171.A O no hydrogen 3.241 N/A ARG 176.A N ALA 172.A O no hydrogen 3.232 N/A ARG 176.A NE ASP 329.A OD1 no hydrogen 3.211 N/A ARG 176.A NH2 ASP 329.A OD1 no hydrogen 2.467 N/A ARG 176.A NH2 ASP 329.A OD2 no hydrogen 3.061 N/A ILE 178.A N ILE 174.A O no hydrogen 2.860 N/A LEU 179.A N PHE 175.A O no hydrogen 2.966 N/A PHE 180.A N ARG 176.A O no hydrogen 2.419 N/A PHE 181.A N PHE 177.A O no hydrogen 3.152 N/A GLN 182.A N ILE 178.A O no hydrogen 3.262 N/A GLN 182.A NE2 ASN 318.A OD1 no hydrogen 2.953 N/A GLY 183.A N LEU 179.A O no hydrogen 3.251 N/A PHE 184.A N PHE 180.A O no hydrogen 2.862 N/A HIS 185.A N PHE 181.A O no hydrogen 3.069 N/A HIS 185.A NE2 TYR 156.A OH no hydrogen 3.087 N/A ASN 186.A N GLN 182.A O no hydrogen 3.205 N/A TRP 187.A N PHE 181.A O no hydrogen 3.144 N/A THR 188.A OG1 GLN 182.A OE1 no hydrogen 2.719 N/A LEU 189.A N ASN 186.A O no hydrogen 2.954 N/A MET 194.A N ASN 190.A O no hydrogen 3.234 N/A MET 195.A N PRO 191.A O no hydrogen 3.221 N/A GLY 196.A N PHE 192.A O no hydrogen 2.950 N/A VAL 197.A N HIS 193.A O no hydrogen 2.691 N/A ALA 198.A N MET 194.A O no hydrogen 3.198 N/A GLY 199.A N MET 195.A O no hydrogen 3.250 N/A VAL 200.A N GLY 196.A O no hydrogen 3.019 N/A LEU 201.A N VAL 197.A O no hydrogen 2.625 N/A ALA 203.A N GLY 199.A O no hydrogen 2.937 N/A ALA 204.A N VAL 200.A O no hydrogen 3.206 N/A LEU 206.A N GLY 202.A O no hydrogen 3.154 N/A CYS 207.A N ALA 203.A O no hydrogen 2.810 N/A ALA 208.A N ALA 204.A O no hydrogen 3.121 N/A ILE 209.A N LEU 205.A O no hydrogen 2.821 N/A HIS 210.A N LEU 206.A O no hydrogen 3.155 N/A GLY 211.A N CYS 207.A O no hydrogen 3.143 N/A ALA 212.A N ALA 208.A O no hydrogen 3.100 N/A THR 213.A N ILE 209.A O no hydrogen 2.590 N/A THR 213.A OG1 ILE 209.A O no hydrogen 2.828 N/A VAL 214.A N HIS 210.A O no hydrogen 3.213 N/A GLU 215.A N GLY 211.A O no hydrogen 3.269 N/A ASN 216.A ND2 ALA 212.A O no hydrogen 2.747 N/A THR 217.A N VAL 214.A O no hydrogen 3.222 N/A THR 217.A OG1 THR 213.A O no hydrogen 2.586 N/A THR 217.A OG1 VAL 214.A O no hydrogen 3.519 N/A PHE 219.A N THR 239.A O no hydrogen 3.163 N/A PHE 228.A N ASN 226.A OD1 no hydrogen 3.165 N/A GLN 235.A N ASN 232.A O no hydrogen 3.039 N/A SER 241.A N THR 217.A O no hydrogen 2.646 N/A SER 241.A OG THR 244.A OG1 no hydrogen 2.699 N/A THR 244.A N SER 241.A OG no hydrogen 3.091 N/A THR 244.A OG1 SER 241.A OG no hydrogen 2.699 N/A ALA 245.A N SER 241.A O no hydrogen 3.019 N/A ASN 246.A N MET 242.A O no hydrogen 2.876 N/A ARG 247.A N VAL 243.A O no hydrogen 3.124 N/A PHE 248.A N THR 244.A O no hydrogen 2.904 N/A TRP 249.A N ALA 245.A O no hydrogen 3.317 N/A TRP 249.A NE1 THR 213.A OG1 no hydrogen 2.848 N/A SER 250.A N ASN 246.A O no hydrogen 2.944 N/A SER 250.A OG ASN 246.A O no hydrogen 2.767 N/A SER 250.A OG ASN 246.A OD1 no hydrogen 2.923 N/A GLN 251.A N PHE 248.A O no hydrogen 3.250 N/A ILE 252.A N PHE 248.A O no hydrogen 2.913 N/A PHE 253.A N TRP 249.A O no hydrogen 2.860 N/A LYS 260.A NZ GLU 238.A OE1 no hydrogen 3.398 N/A ARG 261.A N ASN 259.A OD1 no hydrogen 3.156 N/A LEU 263.A N ASN 259.A O no hydrogen 3.143 N/A HIS 264.A N LYS 260.A O no hydrogen 3.306 N/A HIS 264.A ND1 LYS 260.A O no hydrogen 2.762 N/A HIS 264.A NE2 HIS 210.A NE2 no hydrogen 3.099 N/A PHE 265.A N ARG 261.A O no hydrogen 3.183 N/A PHE 266.A N TRP 262.A O no hydrogen 2.847 N/A MET 267.A N LEU 263.A O no hydrogen 2.877 N/A LEU 268.A N HIS 264.A O no hydrogen 3.154 N/A LEU 269.A N PHE 265.A O no hydrogen 2.754 N/A LEU 269.A N PHE 266.A O no hydrogen 3.238 N/A VAL 270.A N PHE 266.A O no hydrogen 3.233 N/A THR 273.A N LEU 269.A O no hydrogen 2.890 N/A THR 273.A OG1 LEU 269.A O no hydrogen 2.865 N/A GLY 274.A N VAL 270.A O no hydrogen 3.052 N/A LEU 275.A N PRO 271.A O no hydrogen 3.191 N/A TRP 276.A N VAL 272.A O no hydrogen 2.979 N/A TRP 276.A NE1 SER 143.A OG no hydrogen 3.255 N/A MET 277.A N THR 273.A O no hydrogen 3.216 N/A SER 278.A N GLY 274.A O no hydrogen 3.187 N/A SER 278.A OG GLY 274.A O no hydrogen 3.349 N/A SER 278.A OG LEU 275.A O no hydrogen 2.960 N/A ALA 279.A N LEU 275.A O no hydrogen 2.884 N/A ILE 280.A N TRP 276.A O no hydrogen 3.291 N/A ILE 280.A N MET 277.A O no hydrogen 3.095 N/A GLY 281.A N MET 277.A O no hydrogen 3.255 N/A VAL 282.A N SER 278.A O no hydrogen 3.265 N/A VAL 283.A N ALA 279.A O no hydrogen 3.102 N/A GLY 284.A N ILE 280.A O no hydrogen 2.915 N/A LEU 285.A N GLY 281.A O no hydrogen 2.997 N/A ALA 286.A N VAL 282.A O no hydrogen 3.029 N/A ALA 286.A N VAL 283.A O no hydrogen 3.302 N/A ASN 288.A N LEU 285.A O no hydrogen 3.164 N/A LEU 289.A N GLY 284.A O no hydrogen 2.748 N/A ARG 290.A NE HIS 185.A ND1 no hydrogen 3.122 N/A PHE 294.A N TYR 311.A OH no hydrogen 3.023 N/A GLN 297.A N PHE 294.A O no hydrogen 3.197 N/A GLU 298.A N PHE 294.A O no hydrogen 3.142 N/A GLU 298.A N VAL 295.A O no hydrogen 3.152 N/A ILE 299.A N VAL 295.A O no hydrogen 2.954 N/A ALA 301.A N GLN 297.A O no hydrogen 3.274 N/A ALA 302.A N GLU 298.A O no hydrogen 3.080 N/A GLU 303.A N ILE 299.A O no hydrogen 3.112 N/A PHE 307.A N ASP 304.A O no hydrogen 3.396 N/A THR 309.A N THR 312.A OG1 no hydrogen 3.063 N/A TYR 311.A OH TYR 292.A O no hydrogen 3.312 N/A TYR 311.A OH GLU 298.A OE2 no hydrogen 3.109 N/A THR 312.A N THR 309.A OG1 no hydrogen 3.253 N/A THR 312.A OG1 THR 309.A O no hydrogen 2.974 N/A LYS 313.A N THR 309.A O no hydrogen 3.234 N/A LYS 313.A NZ GLU 308.A OE2 no hydrogen 2.652 N/A ASN 314.A N PHE 310.A O no hydrogen 3.124 N/A ILE 315.A N TYR 311.A O no hydrogen 2.998 N/A LEU 316.A N THR 312.A O no hydrogen 3.220 N/A LEU 317.A N LYS 313.A O no hydrogen 3.019 N/A ASN 318.A N ASN 314.A O no hydrogen 3.104 N/A GLU 319.A N ILE 315.A O no hydrogen 3.237 N/A GLY 320.A N LEU 316.A O no hydrogen 3.240 N/A ILE 321.A N LEU 317.A O no hydrogen 3.044 N/A ARG 322.A N ASN 318.A O no hydrogen 2.928 N/A ARG 322.A NH1 GLY 183.A O no hydrogen 3.110 N/A ARG 322.A NH1 TYR 292.A OH no hydrogen 2.746 N/A ARG 322.A NH2 TYR 292.A OH no hydrogen 3.059 N/A ALA 323.A N GLU 319.A O no hydrogen 3.256 N/A TRP 324.A N GLY 320.A O no hydrogen 3.301 N/A TRP 324.A NE1 PRO 343.A O no hydrogen 2.951 N/A MET 325.A N ILE 321.A O no hydrogen 3.270 N/A GLN 328.A N MET 325.A O no hydrogen 2.845 N/A ASP 329.A N MET 325.A O no hydrogen 2.461 N/A ARG 334.A N PRO 331.A O no hydrogen 3.340 N/A VAL 341.A N PRO 338.A O no hydrogen 3.003 N/A