Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6kad_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 5.A OE1 no hydrogen 3.092 N/A GLY 1.A N GLU 5.A OE2 no hydrogen 2.709 N/A GLU 5.A N GLU 5.A OE1 no hydrogen 2.610 N/A ASP 12.A N THR 8.A O no hydrogen 3.240 N/A ALA 13.A N TRP 9.A O no hydrogen 3.002 N/A ASP 14.A N PHE 10.A O no hydrogen 3.127 N/A LEU 17.A N ALA 13.A O no hydrogen 3.157 N/A ARG 18.A N ASP 14.A O no hydrogen 2.777 N/A ARG 18.A NE ASP 14.A OD1 no hydrogen 3.377 N/A ARG 18.A NE ASP 14.A OD2 no hydrogen 3.004 N/A ARG 18.A NH2 ASP 14.A OD2 no hydrogen 2.450 N/A ARG 21.A NH2 TRP 16.A O no hydrogen 2.711 N/A ARG 21.A NH2 GLN 19.A OE1 no hydrogen 2.766 N/A GLY 26.A N LEU 17.A O no hydrogen 2.873 N/A TRP 27.A N GLU 126.A OE1 no hydrogen 3.261 N/A TRP 27.A NE1 ASP 14.A OD1 no hydrogen 2.052 N/A SER 28.A N GLU 126.A OE2 no hydrogen 3.059 N/A SER 28.A OG GLU 126.A OE2 no hydrogen 2.747 N/A LEU 30.A N TRP 27.A O no hydrogen 3.329 N/A LEU 31.A N SER 28.A O no hydrogen 3.144 N/A LEU 32.A N SER 28.A O no hydrogen 2.809 N/A PHE 33.A N GLY 29.A O no hydrogen 3.064 N/A CYS 35.A N LEU 32.A O no hydrogen 3.075 N/A CYS 35.A SG LEU 31.A O no hydrogen 3.284 N/A ALA 36.A N LEU 32.A O no hydrogen 2.638 N/A TYR 37.A N PHE 33.A O no hydrogen 3.232 N/A ALA 39.A N ALA 36.A O no hydrogen 3.304 N/A LEU 40.A N ALA 36.A O no hydrogen 3.467 N/A GLY 41.A N TYR 37.A O no hydrogen 3.115 N/A GLY 42.A N PHE 38.A O no hydrogen 2.821 N/A TRP 43.A N LEU 40.A O no hydrogen 2.964 N/A TRP 43.A NE1 PHE 168.A O no hydrogen 2.419 N/A LEU 44.A N LEU 40.A O no hydrogen 2.861 N/A THR 45.A N GLY 41.A O no hydrogen 3.226 N/A THR 45.A OG1 GLY 41.A O no hydrogen 2.756 N/A THR 47.A N TRP 43.A O no hydrogen 2.993 N/A THR 47.A OG1 TRP 43.A O no hydrogen 2.996 N/A THR 47.A OG1 LEU 44.A O no hydrogen 3.532 N/A THR 48.A N THR 45.A O no hydrogen 3.405 N/A THR 48.A OG1 LEU 44.A O no hydrogen 2.575 N/A PHE 49.A N THR 45.A O no hydrogen 3.159 N/A THR 51.A OG1 GLU 64.A OE2 no hydrogen 2.926 N/A SER 52.A OG THR 60.A OG1 no hydrogen 2.522 N/A SER 52.A OG SER 74.A OG no hydrogen 2.886 N/A TRP 53.A N THR 51.A OG1 no hydrogen 2.904 N/A THR 55.A OG1 SER 52.A O no hydrogen 3.117 N/A HIS 56.A N SER 52.A O no hydrogen 3.211 N/A GLY 57.A N SER 52.A O no hydrogen 3.209 N/A THR 60.A N GLU 64.A OE1 no hydrogen 3.055 N/A THR 60.A OG1 SER 52.A OG no hydrogen 2.522 N/A THR 60.A OG1 ALA 72.A O no hydrogen 3.398 N/A TYR 62.A N THR 47.A O no hydrogen 3.278 N/A LEU 63.A N THR 48.A O no hydrogen 3.154 N/A GLU 64.A N SER 61.A O no hydrogen 3.173 N/A CYS 66.A N SER 61.A O no hydrogen 3.016 N/A CYS 66.A SG ALA 59.A O no hydrogen 3.212 N/A CYS 66.A SG THR 70.A O no hydrogen 3.746 N/A ASN 67.A N THR 70.A OG1 no hydrogen 3.073 N/A THR 70.A N ASN 67.A OD1 no hydrogen 3.154 N/A THR 70.A OG1 ASN 67.A OD1 no hydrogen 2.574 N/A ALA 72.A N THR 60.A O no hydrogen 3.266 N/A VAL 73.A N PHE 168.A O no hydrogen 3.406 N/A SER 74.A OG SER 52.A OG no hydrogen 2.886 N/A THR 75.A N SER 167.A OG no hydrogen 3.157 N/A THR 75.A OG1 HIS 56.A NE2 no hydrogen 3.122 N/A THR 75.A OG1 PHE 163.A O no hydrogen 3.000 N/A ASN 78.A ND2 HIS 331.A NE2 no hydrogen 3.008 N/A HIS 82.A N MET 80.A O no hydrogen 2.862 N/A HIS 82.A NE2 PRO 156.A O no hydrogen 3.106 N/A GLY 89.A N PHE 86.A O no hydrogen 3.125 N/A ALA 92.A N GLY 89.A O no hydrogen 3.008 N/A GLN 93.A N GLY 89.A O no hydrogen 2.609 N/A GLY 94.A N VAL 87.A O no hydrogen 2.824 N/A ARG 98.A NH1 GLN 101.A OE1 no hydrogen 2.759 N/A TRP 99.A N PHE 96.A O no hydrogen 2.955 N/A TRP 99.A NE1 LEU 85.A O no hydrogen 2.863 N/A CYS 100.A N PHE 96.A O no hydrogen 3.201 N/A CYS 100.A SG PHE 96.A O no hydrogen 3.807 N/A GLY 103.A N CYS 100.A O no hydrogen 3.152 N/A GLY 104.A N TRP 99.A O no hydrogen 3.329 N/A TRP 106.A N GLY 103.A O no hydrogen 3.191 N/A TRP 106.A NE1 PRO 166.A O no hydrogen 3.022 N/A PHE 108.A N GLY 104.A O no hydrogen 3.366 N/A VAL 109.A N TRP 106.A O no hydrogen 3.046 N/A ALA 110.A N TRP 106.A O no hydrogen 2.961 N/A LEU 111.A N ALA 107.A O no hydrogen 3.208 N/A HIS 112.A N PHE 108.A O no hydrogen 3.404 N/A HIS 112.A ND1 PHE 108.A O no hydrogen 2.883 N/A GLY 113.A N VAL 109.A O no hydrogen 2.777 N/A ALA 114.A N ALA 110.A O no hydrogen 3.175 N/A PHE 115.A N LEU 111.A O no hydrogen 3.496 N/A GLY 116.A N HIS 112.A O no hydrogen 3.328 N/A LEU 117.A N GLY 113.A O no hydrogen 3.011 N/A ILE 118.A N ALA 114.A O no hydrogen 3.097 N/A GLY 119.A N PHE 115.A O no hydrogen 3.316 N/A PHE 120.A N GLY 116.A O no hydrogen 2.746 N/A MET 121.A N LEU 117.A O no hydrogen 3.280 N/A LEU 122.A N ILE 118.A O no hydrogen 2.973 N/A ARG 123.A N GLY 119.A O no hydrogen 2.913 N/A ARG 123.A N PHE 120.A O no hydrogen 3.231 N/A ARG 123.A NH1 PHE 24.A O no hydrogen 2.581 N/A ARG 123.A NH2 PHE 24.A O no hydrogen 2.930 N/A GLN 124.A N PHE 120.A O no hydrogen 3.409 N/A GLN 124.A N MET 121.A O no hydrogen 3.237 N/A PHE 125.A N LEU 122.A O no hydrogen 3.244 N/A GLU 126.A N LEU 122.A O no hydrogen 3.453 N/A ILE 127.A N ARG 123.A O no hydrogen 3.333 N/A ARG 129.A N PHE 125.A O no hydrogen 2.992 N/A ARG 129.A NE ARG 129.A O no hydrogen 3.357 N/A SER 130.A N GLU 126.A O no hydrogen 3.198 N/A SER 130.A OG GLU 126.A O no hydrogen 2.646 N/A VAL 131.A N ILE 127.A O no hydrogen 3.096 N/A LEU 133.A N ALA 128.A O no hydrogen 2.914 N/A ALA 138.A N PRO 135.A O no hydrogen 2.943 N/A ILE 139.A N PRO 135.A O no hydrogen 3.263 N/A ALA 140.A N TYR 136.A O no hydrogen 3.140 N/A PHE 141.A N ASN 137.A O no hydrogen 3.409 N/A SER 142.A N ILE 139.A O no hydrogen 3.438 N/A SER 142.A OG ILE 139.A O no hydrogen 2.766 N/A ALA 143.A N ALA 140.A O no hydrogen 3.211 N/A ALA 146.A N SER 142.A O no hydrogen 2.784 N/A VAL 147.A N ALA 143.A O no hydrogen 3.299 N/A PHE 148.A N PRO 144.A O no hydrogen 3.161 N/A VAL 149.A N ILE 145.A O no hydrogen 2.869 N/A SER 150.A N ALA 146.A O no hydrogen 3.207 N/A SER 150.A OG ALA 146.A O no hydrogen 2.882 N/A SER 150.A OG VAL 147.A O no hydrogen 3.296 N/A VAL 151.A N VAL 147.A O no hydrogen 3.128 N/A PHE 152.A N PHE 148.A O no hydrogen 3.009 N/A LEU 153.A N VAL 149.A O no hydrogen 3.057 N/A ILE 154.A N VAL 149.A O no hydrogen 2.842 N/A TYR 155.A N SER 150.A O no hydrogen 2.881 N/A TYR 155.A OH HIS 184.A NE2 no hydrogen 3.076 N/A LEU 157.A N LEU 153.A O no hydrogen 3.161 N/A GLY 158.A N TYR 155.A O no hydrogen 3.362 N/A GLN 159.A N TYR 155.A O no hydrogen 3.073 N/A GLN 159.A NE2 ASN 287.A OD1 no hydrogen 3.331 N/A TRP 162.A NE1 SER 83.A O no hydrogen 2.645 N/A ALA 165.A N TRP 162.A O no hydrogen 3.238 N/A PHE 168.A N VAL 73.A O no hydrogen 3.021 N/A GLY 169.A N SER 167.A O no hydrogen 2.734 N/A ALA 171.A N LEU 69.A O no hydrogen 2.951 N/A ILE 173.A N GLY 169.A O no hydrogen 3.359 N/A ARG 175.A NE ASP 328.A OD1 no hydrogen 3.162 N/A ARG 175.A NH2 ASP 328.A OD1 no hydrogen 2.477 N/A ARG 175.A NH2 ASP 328.A OD2 no hydrogen 3.019 N/A PHE 176.A N ALA 172.A O no hydrogen 3.460 N/A ILE 177.A N ILE 173.A O no hydrogen 2.809 N/A LEU 178.A N PHE 174.A O no hydrogen 3.373 N/A PHE 179.A N ARG 175.A O no hydrogen 2.420 N/A PHE 180.A N PHE 176.A O no hydrogen 3.289 N/A PHE 180.A N ILE 177.A O no hydrogen 3.155 N/A GLN 181.A NE2 ASN 317.A OD1 no hydrogen 2.537 N/A PHE 183.A N PHE 179.A O no hydrogen 3.119 N/A HIS 184.A NE2 TYR 155.A OH no hydrogen 3.076 N/A ASN 185.A N GLN 181.A O no hydrogen 3.119 N/A TRP 186.A N PHE 180.A O no hydrogen 3.047 N/A THR 187.A OG1 GLN 181.A OE1 no hydrogen 2.978 N/A LEU 188.A N ASN 185.A O no hydrogen 3.511 N/A ASN 189.A N TRP 186.A O no hydrogen 3.424 N/A ASN 189.A ND2 GLY 280.A O no hydrogen 3.561 N/A HIS 192.A N ASN 189.A O no hydrogen 2.858 N/A MET 193.A N ASN 189.A O no hydrogen 3.163 N/A MET 194.A N PRO 190.A O no hydrogen 2.815 N/A GLY 195.A N HIS 192.A O no hydrogen 2.949 N/A VAL 196.A N HIS 192.A O no hydrogen 2.933 N/A VAL 199.A N GLY 195.A O no hydrogen 3.012 N/A LEU 200.A N VAL 196.A O no hydrogen 2.669 N/A GLY 201.A N ALA 197.A O no hydrogen 2.950 N/A ALA 202.A N GLY 198.A O no hydrogen 3.008 N/A ALA 203.A N VAL 199.A O no hydrogen 3.004 N/A LEU 204.A N LEU 200.A O no hydrogen 3.271 N/A LEU 205.A N GLY 201.A O no hydrogen 3.246 N/A CYS 206.A N ALA 202.A O no hydrogen 3.096 N/A ALA 207.A N LEU 204.A O no hydrogen 3.331 N/A ILE 208.A N LEU 204.A O no hydrogen 3.120 N/A ALA 211.A N ILE 208.A O no hydrogen 2.908 N/A THR 212.A N ILE 208.A O no hydrogen 2.586 N/A THR 212.A OG1 ILE 208.A O no hydrogen 2.594 N/A VAL 213.A N HIS 209.A O no hydrogen 3.351 N/A ASN 215.A N ALA 211.A O no hydrogen 3.196 N/A ASN 215.A ND2 ALA 211.A O no hydrogen 3.062 N/A THR 216.A N VAL 213.A O no hydrogen 3.378 N/A THR 216.A OG1 THR 212.A O no hydrogen 2.647 N/A PHE 218.A N THR 238.A O no hydrogen 3.040 N/A ARG 228.A N ASN 225.A O no hydrogen 3.241 N/A THR 233.A OG1 ASN 231.A OD1 no hydrogen 3.519 N/A GLN 234.A N ASN 231.A O no hydrogen 3.123 N/A GLU 236.A N GLU 236.A OE1 no hydrogen 2.711 N/A SER 240.A N THR 216.A O no hydrogen 3.033 N/A SER 240.A OG THR 243.A OG1 no hydrogen 2.909 N/A THR 243.A N SER 240.A OG no hydrogen 3.345 N/A THR 243.A OG1 SER 240.A OG no hydrogen 2.909 N/A ALA 244.A N SER 240.A O no hydrogen 3.058 N/A ASN 245.A N MET 241.A O no hydrogen 3.157 N/A ARG 246.A N VAL 242.A O no hydrogen 3.206 N/A PHE 247.A N THR 243.A O no hydrogen 3.009 N/A SER 249.A N ASN 245.A O no hydrogen 2.956 N/A SER 249.A OG ASN 245.A O no hydrogen 2.658 N/A SER 249.A OG ASN 245.A OD1 no hydrogen 3.052 N/A GLN 250.A N ARG 246.A O no hydrogen 3.366 N/A GLN 250.A N PHE 247.A O no hydrogen 3.232 N/A ILE 251.A N PHE 247.A O no hydrogen 2.854 N/A PHE 252.A N TRP 248.A O no hydrogen 2.867 N/A GLY 253.A N TRP 248.A O no hydrogen 3.012 N/A LYS 259.A NZ GLU 237.A OE1 no hydrogen 2.375 N/A LEU 262.A N ASN 258.A O no hydrogen 3.031 N/A HIS 263.A ND1 LYS 259.A O no hydrogen 3.093 N/A PHE 264.A N ARG 260.A O no hydrogen 3.474 N/A PHE 265.A N TRP 261.A O no hydrogen 2.871 N/A MET 266.A N LEU 262.A O no hydrogen 3.015 N/A LEU 267.A N HIS 263.A O no hydrogen 3.174 N/A LEU 267.A N PHE 264.A O no hydrogen 3.053 N/A LEU 268.A N PHE 264.A O no hydrogen 3.025 N/A LEU 268.A N PHE 265.A O no hydrogen 3.274 N/A VAL 269.A N PHE 265.A O no hydrogen 3.260 N/A THR 272.A N LEU 268.A O no hydrogen 3.075 N/A THR 272.A OG1 LEU 268.A O no hydrogen 2.780 N/A GLY 273.A N VAL 269.A O no hydrogen 3.376 N/A LEU 274.A N PRO 270.A O no hydrogen 3.336 N/A TRP 275.A N VAL 271.A O no hydrogen 3.130 N/A MET 276.A N THR 272.A O no hydrogen 2.862 N/A SER 277.A N LEU 274.A O no hydrogen 2.840 N/A ALA 278.A N LEU 274.A O no hydrogen 2.790 N/A GLY 283.A N ILE 279.A O no hydrogen 3.408 N/A LEU 284.A N GLY 280.A O no hydrogen 3.270 N/A ALA 285.A N VAL 281.A O no hydrogen 2.904 N/A LEU 286.A N GLY 283.A O no hydrogen 3.341 N/A ASN 287.A N LEU 284.A O no hydrogen 2.970 N/A ASN 287.A ND2 GLN 159.A OE1 no hydrogen 3.507 N/A LEU 288.A N GLY 283.A O no hydrogen 2.523 N/A ARG 289.A NH2 HIS 184.A ND1 no hydrogen 3.091 N/A PHE 293.A N TYR 310.A OH no hydrogen 2.547 N/A GLU 297.A N PHE 293.A O no hydrogen 3.281 N/A ILE 298.A N VAL 294.A O no hydrogen 3.171 N/A ALA 300.A N GLN 296.A O no hydrogen 3.032 N/A ALA 301.A N ILE 298.A O no hydrogen 3.063 N/A GLU 302.A N ILE 298.A O no hydrogen 3.379 N/A GLU 305.A N ASP 303.A OD1 no hydrogen 3.138 N/A THR 308.A N THR 311.A OG1 no hydrogen 2.915 N/A TYR 310.A N THR 308.A OG1 no hydrogen 3.099 N/A THR 311.A N THR 308.A OG1 no hydrogen 3.345 N/A THR 311.A OG1 THR 308.A O no hydrogen 3.048 N/A LYS 312.A N THR 308.A O no hydrogen 3.257 N/A ASN 313.A N TYR 310.A O no hydrogen 2.903 N/A ILE 314.A N TYR 310.A O no hydrogen 3.072 N/A ASN 317.A N ASN 313.A O no hydrogen 2.959 N/A GLU 318.A N ILE 314.A O no hydrogen 3.166 N/A GLY 319.A N LEU 315.A O no hydrogen 2.996 N/A ILE 320.A N LEU 316.A O no hydrogen 3.123 N/A ILE 320.A N ASN 317.A O no hydrogen 3.267 N/A ARG 321.A N ASN 317.A O no hydrogen 3.091 N/A ARG 321.A NH1 GLY 182.A O no hydrogen 3.153 N/A ARG 321.A NH1 TYR 291.A OH no hydrogen 2.863 N/A ALA 322.A N GLU 318.A O no hydrogen 3.004 N/A MET 324.A N ILE 320.A O no hydrogen 3.199 N/A GLN 327.A N MET 324.A O no hydrogen 3.261 N/A ASP 328.A N MET 324.A O no hydrogen 2.907 N/A GLU 332.A N GLN 329.A O no hydrogen 3.225 N/A ARG 333.A N PRO 330.A O no hydrogen 3.237 N/A GLU 338.A N GLU 338.A OE1 no hydrogen 2.668 N/A VAL 340.A N PRO 337.A O no hydrogen 3.272 N/A