Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8u4q_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N GLN 1.A O no hydrogen 3.371 N/A ALA 6.A N LEU 2.A O no hydrogen 3.017 N/A GLU 7.A N ARG 3.A O no hydrogen 3.235 N/A GLN 8.A N GLN 4.A O no hydrogen 3.237 N/A LEU 9.A N GLU 5.A O no hydrogen 2.929 N/A LYS 10.A N ALA 6.A O no hydrogen 3.083 N/A ASN 11.A N GLU 7.A O no hydrogen 2.958 N/A GLN 12.A N GLN 8.A O no hydrogen 3.135 N/A ILE 13.A N LEU 9.A O no hydrogen 3.253 N/A ARG 14.A N LYS 10.A O no hydrogen 3.035 N/A ASP 15.A N ASN 11.A O no hydrogen 2.922 N/A ALA 16.A N GLN 12.A O no hydrogen 2.836 N/A ARG 17.A N ILE 13.A O no hydrogen 2.926 N/A ARG 17.A NH2 THR 216.A O no hydrogen 2.983 N/A LYS 18.A N ARG 14.A O no hydrogen 3.073 N/A ALA 19.A N ASP 15.A O no hydrogen 3.189 N/A CYS 20.A N ALA 16.A O no hydrogen 3.402 N/A CYS 20.A SG ALA 16.A O no hydrogen 3.677 N/A ALA 21.A N LYS 18.A O no hydrogen 3.196 N/A ASP 22.A N CYS 20.A O no hydrogen 2.772 N/A THR 24.A N GLN 27.A OE1 no hydrogen 2.823 N/A THR 24.A OG1 GLN 27.A OE1 no hydrogen 3.052 N/A THR 29.A N LEU 25.A O no hydrogen 2.931 N/A THR 29.A OG1 LEU 25.A O no hydrogen 2.564 N/A THR 29.A OG1 LEU 295.A O no hydrogen 3.050 N/A ILE 38.A N ALA 300.A O no hydrogen 2.559 N/A ARG 43.A N ILE 333.A O no hydrogen 2.739 N/A ARG 44.A NE SER 79.A O no hydrogen 3.023 N/A ARG 44.A NE TYR 80.A O no hydrogen 3.185 N/A ARG 44.A NH2 TYR 80.A O no hydrogen 2.428 N/A LEU 46.A N LEU 331.A O no hydrogen 2.934 N/A HIS 49.A NE2 SER 67.A OG no hydrogen 2.403 N/A LEU 50.A N ASP 71.A OD2 no hydrogen 3.324 N/A TYR 54.A N ALA 68.A O no hydrogen 3.157 N/A HIS 57.A N VAL 66.A O no hydrogen 3.064 N/A GLY 59.A N LEU 64.A O no hydrogen 2.767 N/A THR 60.A OG1 PRO 102.A O no hydrogen 3.231 N/A SER 62.A N GLY 59.A O no hydrogen 3.307 N/A SER 62.A OG ASP 318.A OD1 no hydrogen 2.601 N/A ARG 63.A N ASP 61.A OD1 no hydrogen 3.045 N/A ARG 63.A NH2 ASP 78.A OD2 no hydrogen 2.369 N/A LEU 64.A N ASP 61.A OD1 no hydrogen 3.473 N/A VAL 66.A N HIS 57.A O no hydrogen 3.151 N/A SER 67.A N ILE 75.A O no hydrogen 3.035 N/A SER 67.A OG HIS 49.A NE2 no hydrogen 2.403 N/A ALA 68.A N ALA 55.A O no hydrogen 3.375 N/A SER 69.A OG HIS 49.A ND1 no hydrogen 2.783 N/A SER 69.A OG ASP 71.A OD1 no hydrogen 2.131 N/A GLN 70.A N LYS 52.A O no hydrogen 3.111 N/A LYS 73.A N ASP 71.A OD1 no hydrogen 3.155 N/A LEU 74.A N ILE 88.A O no hydrogen 2.887 N/A ILE 75.A N SER 67.A O no hydrogen 3.300 N/A TRP 77.A N LEU 65.A O no hydrogen 2.827 N/A SER 79.A N ARG 63.A O no hydrogen 2.977 N/A SER 79.A OG ARG 63.A O no hydrogen 3.550 N/A TYR 80.A N ASP 78.A OD1 no hydrogen 3.435 N/A THR 81.A OG1 ASN 83.A OD1 no hydrogen 2.461 N/A THR 82.A N ASP 78.A O no hydrogen 2.773 N/A LYS 84.A NZ ARG 47.A O no hydrogen 3.406 N/A VAL 85.A N ILE 76.A O no hydrogen 2.909 N/A ILE 88.A N LEU 74.A O no hydrogen 2.907 N/A LEU 90.A N GLY 72.A O no hydrogen 2.940 N/A MET 96.A N GLY 110.A O no hydrogen 2.980 N/A CYS 98.A SG VAL 66.A O no hydrogen 3.697 N/A ALA 101.A N TYR 106.A O no hydrogen 2.976 N/A SER 103.A OG ASP 149.A OD2 no hydrogen 2.734 N/A GLY 104.A N ALA 101.A O no hydrogen 3.116 N/A VAL 107.A N TYR 119.A O no hydrogen 3.253 N/A ALA 108.A N ALA 99.A O no hydrogen 2.961 N/A CYS 109.A N SER 117.A O no hydrogen 3.094 N/A CYS 109.A SG THR 97.A O no hydrogen 3.657 N/A CYS 109.A SG GLY 110.A O no hydrogen 4.004 N/A LEU 112.A N TRP 94.A O no hydrogen 3.135 N/A ASN 114.A N GLY 111.A O no hydrogen 3.415 N/A ILE 115.A N ASP 113.A OD1 no hydrogen 3.164 N/A CYS 116.A N LEU 134.A O no hydrogen 3.128 N/A CYS 116.A SG CYS 109.A O no hydrogen 3.503 N/A SER 117.A N CYS 109.A O no hydrogen 3.174 N/A ILE 118.A N ARG 132.A O no hydrogen 3.157 N/A ASN 120.A N ARG 129.A O no hydrogen 3.018 N/A LEU 121.A N ASN 105.A O no hydrogen 2.829 N/A THR 123.A N LEU 121.A O no hydrogen 2.939 N/A GLY 126.A N THR 123.A O no hydrogen 3.401 N/A SER 131.A N ILE 118.A O no hydrogen 2.871 N/A LEU 134.A N CYS 116.A O no hydrogen 2.813 N/A HIS 137.A NE2 THR 154.A OG1 no hydrogen 3.136 N/A TYR 140.A OH ASP 181.A OD2 no hydrogen 3.420 N/A LEU 141.A N GLY 111.A O no hydrogen 3.083 N/A SER 142.A N SER 155.A O no hydrogen 3.048 N/A SER 142.A OG SER 155.A O no hydrogen 2.816 N/A SER 142.A OG VAL 182.A O no hydrogen 2.838 N/A ARG 145.A N VAL 153.A O no hydrogen 3.189 N/A LEU 147.A N GLN 151.A O no hydrogen 3.052 N/A ASP 148.A N GLN 151.A O no hydrogen 3.396 N/A ASN 150.A N ASP 148.A OD1 no hydrogen 2.692 N/A VAL 153.A N ARG 145.A O no hydrogen 3.216 N/A THR 154.A N ALA 162.A O no hydrogen 3.089 N/A THR 154.A OG1 HIS 137.A NE2 no hydrogen 3.136 N/A SER 155.A N CYS 143.A O no hydrogen 3.137 N/A SER 156.A N THR 160.A O no hydrogen 3.345 N/A GLY 157.A N TYR 140.A O no hydrogen 2.942 N/A THR 159.A OG1 ASP 158.A O no hydrogen 2.517 N/A THR 160.A OG1 ASP 158.A OD1 no hydrogen 2.901 N/A THR 160.A OG1 ASP 158.A OD2 no hydrogen 2.723 N/A CYS 161.A N PHE 175.A O no hydrogen 3.046 N/A ALA 162.A N THR 154.A O no hydrogen 3.079 N/A LEU 163.A N THR 173.A O no hydrogen 2.922 N/A TRP 164.A N ILE 152.A O no hydrogen 2.805 N/A TRP 164.A NE1 THR 154.A OG1 no hydrogen 2.728 N/A ILE 166.A N ASN 150.A O no hydrogen 3.026 N/A GLY 169.A N ASP 165.A O no hydrogen 2.711 N/A THR 172.A N LEU 163.A O no hydrogen 2.914 N/A THR 173.A N LEU 163.A O no hydrogen 3.484 N/A THR 174.A OG1 GLN 171.A OE1 no hydrogen 3.481 N/A PHE 175.A N CYS 161.A O no hydrogen 2.559 N/A THR 179.A N ASP 200.A OD2 no hydrogen 3.238 N/A MET 183.A N GLY 197.A O no hydrogen 3.117 N/A SER 186.A N VAL 195.A O no hydrogen 3.123 N/A ALA 188.A N LEU 193.A O no hydrogen 2.998 N/A THR 191.A N ALA 188.A O no hydrogen 3.067 N/A THR 191.A OG1 ASP 190.A O no hydrogen 2.545 N/A ARG 192.A N ASP 190.A OD1 no hydrogen 3.038 N/A VAL 195.A N SER 186.A O no hydrogen 3.260 N/A SER 196.A N LYS 204.A O no hydrogen 3.327 N/A ALA 198.A N SER 202.A O no hydrogen 3.179 N/A CYS 199.A N ASP 181.A O no hydrogen 2.678 N/A CYS 199.A SG ASP 181.A O no hydrogen 3.154 N/A SER 202.A OG ASP 200.A OD1 no hydrogen 2.669 N/A SER 202.A OG ASP 200.A OD2 no hydrogen 3.188 N/A ALA 203.A N PHE 217.A O no hydrogen 3.043 N/A LYS 204.A N SER 196.A O no hydrogen 3.413 N/A LEU 205.A N GLN 215.A O no hydrogen 3.189 N/A TRP 206.A N PHE 194.A O no hydrogen 2.904 N/A TRP 206.A NE1 SER 196.A OG no hydrogen 3.075 N/A ARG 209.A N ASP 207.A OD1 no hydrogen 3.354 N/A GLY 211.A N ASP 207.A O no hydrogen 2.968 N/A CYS 213.A SG LEU 205.A O no hydrogen 4.002 N/A CYS 213.A SG GLN 215.A O no hydrogen 3.497 N/A ARG 214.A N LEU 205.A O no hydrogen 2.901 N/A GLN 215.A NE2 LEU 250.A O no hydrogen 3.039 N/A PHE 217.A N ALA 203.A O no hydrogen 2.893 N/A ILE 224.A N ALA 198.A O no hydrogen 3.253 N/A ASN 225.A N GLY 239.A O no hydrogen 3.076 N/A ASN 225.A ND2 ASP 241.A OD1 no hydrogen 3.466 N/A ASN 225.A ND2 ILE 268.A O no hydrogen 3.012 N/A ALA 226.A N GLY 239.A O no hydrogen 3.220 N/A CYS 228.A SG PHE 229.A O no hydrogen 3.552 N/A PHE 230.A N ALA 235.A O no hydrogen 2.560 N/A GLY 233.A N PHE 230.A O no hydrogen 2.843 N/A ASN 234.A N ASN 232.A OD1 no hydrogen 3.032 N/A ASN 234.A ND2 ASN 232.A OD1 no hydrogen 3.373 N/A PHE 236.A N PHE 248.A O no hydrogen 3.352 N/A ALA 237.A N CYS 228.A O no hydrogen 2.998 N/A THR 238.A N ARG 246.A O no hydrogen 2.872 N/A THR 238.A OG1 HIS 220.A NE2 no hydrogen 3.288 N/A GLY 239.A N ALA 226.A O no hydrogen 3.275 N/A SER 240.A N THR 244.A O no hydrogen 3.218 N/A SER 240.A OG HIS 220.A ND1 no hydrogen 2.816 N/A SER 240.A OG ASP 242.A OD1 no hydrogen 2.368 N/A ASP 241.A N ASP 223.A O no hydrogen 2.789 N/A CYS 245.A N TYR 259.A O no hydrogen 3.242 N/A ARG 246.A N THR 238.A O no hydrogen 2.895 N/A ARG 246.A NH1 GLU 255.A OE2 no hydrogen 3.008 N/A LEU 247.A N MET 257.A O no hydrogen 3.110 N/A PHE 248.A N PHE 236.A O no hydrogen 3.021 N/A LEU 250.A N ASN 234.A O no hydrogen 3.319 N/A ALA 252.A N ASP 249.A OD1 no hydrogen 2.837 N/A ASP 253.A N ASP 249.A O no hydrogen 2.796 N/A GLN 254.A NE2 ARG 17.A O no hydrogen 2.573 N/A LEU 256.A N LEU 247.A O no hydrogen 3.015 N/A THR 258.A OG1 GLU 255.A OE2 no hydrogen 3.424 N/A TYR 259.A N CYS 245.A O no hydrogen 2.950 N/A TYR 259.A OH ALA 294.A O no hydrogen 2.724 N/A ASN 263.A N HIS 261.A ND1 no hydrogen 3.120 N/A ILE 264.A N HIS 261.A O no hydrogen 3.488 N/A ILE 268.A N SER 240.A O no hydrogen 3.099 N/A THR 269.A N GLY 283.A O no hydrogen 3.110 N/A THR 269.A OG1 VAL 310.A O no hydrogen 2.417 N/A SER 272.A N LEU 281.A O no hydrogen 3.179 N/A SER 272.A OG PHE 273.A O no hydrogen 3.362 N/A GLY 277.A N SER 274.A O no hydrogen 3.368 N/A ARG 278.A NE ASP 293.A OD1 no hydrogen 2.723 N/A LEU 281.A N SER 272.A O no hydrogen 2.706 N/A ALA 282.A N ASN 290.A O no hydrogen 2.992 N/A GLY 283.A N SER 270.A O no hydrogen 2.715 N/A TYR 284.A N ASN 288.A O no hydrogen 2.964 N/A ASP 285.A N GLY 267.A O no hydrogen 3.189 N/A CYS 289.A N LEU 303.A O no hydrogen 3.161 N/A CYS 289.A SG ALA 282.A O no hydrogen 3.143 N/A ASN 290.A N ALA 282.A O no hydrogen 3.066 N/A VAL 291.A N GLY 301.A O no hydrogen 3.147 N/A TRP 292.A N LEU 280.A O no hydrogen 3.020 N/A LYS 296.A NZ ILE 32.A O no hydrogen 3.306 N/A ALA 297.A N ASP 293.A O no hydrogen 2.987 N/A ALA 300.A N VAL 291.A O no hydrogen 3.121 N/A LEU 303.A N CYS 289.A O no hydrogen 2.822 N/A HIS 306.A NE2 THR 324.A OG1 no hydrogen 2.689 N/A ASP 307.A N ASP 328.A OD2 no hydrogen 3.447 N/A ARG 309.A N ASN 308.A OD1 no hydrogen 2.833 N/A SER 311.A N GLY 325.A O no hydrogen 3.216 N/A SER 311.A OG ILE 53.A O no hydrogen 2.351 N/A SER 311.A OG GLY 325.A O no hydrogen 3.531 N/A CYS 312.A N GLY 325.A O no hydrogen 3.300 N/A CYS 312.A SG GLY 325.A O no hydrogen 3.312 N/A GLY 314.A N ALA 323.A O no hydrogen 3.249 N/A THR 316.A N ALA 321.A O no hydrogen 3.079 N/A THR 316.A OG1 ASP 318.A OD1 no hydrogen 3.353 N/A THR 316.A OG1 ALA 321.A O no hydrogen 3.132 N/A ASP 318.A N ASP 318.A OD1 no hydrogen 2.386 N/A GLY 319.A N THR 316.A O no hydrogen 3.257 N/A ALA 321.A N THR 316.A OG1 no hydrogen 2.981 N/A VAL 322.A N TRP 334.A O no hydrogen 3.245 N/A ALA 323.A N GLY 314.A O no hydrogen 3.075 N/A THR 324.A N LYS 332.A O no hydrogen 3.036 N/A THR 324.A OG1 HIS 306.A NE2 no hydrogen 2.689 N/A GLY 325.A N CYS 312.A O no hydrogen 3.407 N/A SER 326.A OG HIS 306.A ND1 no hydrogen 2.415 N/A SER 326.A OG ASP 328.A OD1 no hydrogen 2.247 N/A TRP 327.A N ARG 309.A O no hydrogen 2.868 N/A SER 329.A N SER 326.A O no hydrogen 3.267 N/A SER 329.A OG HIS 49.A O no hydrogen 3.508 N/A SER 329.A OG ASP 328.A O no hydrogen 2.314 N/A PHE 330.A N ASP 328.A OD1 no hydrogen 3.397 N/A LEU 331.A N LEU 46.A O no hydrogen 3.113 N/A LYS 332.A N THR 324.A O no hydrogen 3.039 N/A LYS 332.A NZ GLY 305.A O no hydrogen 2.973 N/A ILE 333.A N ARG 44.A O no hydrogen 3.437 N/A TRP 334.A N VAL 322.A O no hydrogen 2.847 N/A TRP 334.A NE1 THR 324.A OG1 no hydrogen 3.316 N/A