Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3c5u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE PRO 89.A O no hydrogen 3.417 N/A ARG 2.A NH2 PRO 89.A O no hydrogen 2.976 N/A TYR 6.A N VAL 17.A O no hydrogen 2.808 N/A TYR 6.A OH TYR 21.A O no hydrogen 2.811 N/A LEU 10.A N THR 13.A O no hydrogen 2.754 N/A LYS 12.A N GLU 9.A OE2 no hydrogen 2.763 N/A TRP 15.A N GLN 8.A O no hydrogen 2.555 N/A GLU 16.A N TYR 100.A OH no hydrogen 3.171 N/A GLU 19.A N THR 4.A O no hydrogen 2.735 N/A ARG 20.A NE ASP 40.A OD1 no hydrogen 2.478 N/A ARG 20.A NH2 ASP 40.A OD2 no hydrogen 3.303 N/A TYR 21.A N PRO 18.A O no hydrogen 2.885 N/A TYR 21.A OH ASP 85.A OD2 no hydrogen 2.735 N/A GLN 22.A N PHE 39.A O no hydrogen 2.857 N/A GLN 22.A NE2 GLU 19.A O no hydrogen 2.920 N/A SER 25.A N ALA 37.A O no hydrogen 2.798 N/A SER 25.A OG PRO 26.A O no hydrogen 3.161 N/A SER 29.A OG GLY 28.A O no hydrogen 3.014 N/A ALA 31.A N GLY 28.A O no hydrogen 2.675 N/A CYS 36.A N VAL 49.A O no hydrogen 2.655 N/A ALA 37.A N SER 25.A O no hydrogen 2.584 N/A ALA 38.A N VAL 47.A O no hydrogen 2.629 N/A PHE 39.A N GLN 22.A O no hydrogen 2.537 N/A ASP 40.A N LEU 45.A O no hydrogen 2.830 N/A THR 41.A N ARG 20.A O no hydrogen 3.112 N/A THR 41.A OG1 ARG 20.A O no hydrogen 3.428 N/A THR 43.A N ASP 40.A O no hydrogen 2.916 N/A THR 43.A OG1 ASP 40.A OD2 no hydrogen 2.525 N/A GLY 44.A N ASP 40.A O no hydrogen 2.371 N/A LEU 45.A N THR 43.A OG1 no hydrogen 3.321 N/A VAL 47.A N ALA 38.A O no hydrogen 2.751 N/A ALA 48.A N THR 103.A O no hydrogen 2.783 N/A VAL 49.A N CYS 36.A O no hydrogen 2.663 N/A LYS 50.A N LEU 101.A O no hydrogen 2.851 N/A LYS 50.A NZ GLU 68.A OE1 no hydrogen 3.379 N/A LYS 50.A NZ GLU 68.A OE2 no hydrogen 2.895 N/A LYS 51.A N SER 34.A O no hydrogen 2.964 N/A LYS 51.A NZ THR 13.A OG1 no hydrogen 2.832 N/A LYS 51.A NZ ILE 14.A O no hydrogen 3.072 N/A LYS 51.A NZ TYR 100.A OH no hydrogen 3.371 N/A LEU 52.A N VAL 99.A O no hydrogen 2.891 N/A HIS 61.A N SER 58.A O no hydrogen 3.063 N/A HIS 61.A N SER 58.A OG no hydrogen 2.974 N/A ALA 62.A N SER 58.A O no hydrogen 2.932 N/A LYS 63.A N ILE 59.A O no hydrogen 3.102 N/A ARG 64.A N ILE 60.A O no hydrogen 3.313 N/A THR 65.A N HIS 61.A O no hydrogen 2.745 N/A THR 65.A OG1 PRO 55.A O no hydrogen 3.402 N/A THR 65.A OG1 HIS 61.A O no hydrogen 3.188 N/A TYR 66.A N ALA 62.A O no hydrogen 2.771 N/A ARG 67.A N LYS 63.A O no hydrogen 2.759 N/A ARG 67.A NE GLU 314.A OE1 no hydrogen 3.142 N/A ARG 67.A NE GLU 314.A OE2 no hydrogen 2.910 N/A ARG 67.A NH2 GLU 314.A OE1 no hydrogen 2.727 N/A GLU 68.A N ARG 64.A O no hydrogen 3.007 N/A LEU 69.A N THR 65.A O no hydrogen 3.167 N/A ARG 70.A N TYR 66.A O no hydrogen 2.844 N/A ARG 70.A NH2 ASP 310.A O no hydrogen 2.945 N/A LEU 71.A N ARG 67.A O no hydrogen 3.047 N/A LEU 72.A N GLU 68.A O no hydrogen 2.857 N/A LYS 73.A N LEU 69.A O no hydrogen 3.144 N/A LYS 73.A NZ GLU 330.A O no hydrogen 2.739 N/A LYS 73.A NZ GLU 330.A OE1 no hydrogen 2.806 N/A HIS 74.A N LEU 71.A O no hydrogen 2.678 N/A HIS 74.A NE2 ASP 307.A O no hydrogen 3.064 N/A MET 75.A N LEU 71.A O no hydrogen 3.004 N/A LYS 76.A N TYR 137.A OH no hydrogen 3.219 N/A ASN 79.A N HIS 77.A ND1 no hydrogen 2.842 N/A ASN 79.A ND2 GLN 130.A OE1 no hydrogen 3.146 N/A ASN 79.A ND2 LEU 161.A O no hydrogen 3.024 N/A VAL 80.A N HIS 77.A O no hydrogen 3.162 N/A ILE 81.A N ILE 163.A O no hydrogen 3.024 N/A LEU 84.A N VAL 102.A O no hydrogen 2.433 N/A ASP 85.A N VAL 102.A O no hydrogen 3.233 N/A PHE 87.A N TYR 100.A O no hydrogen 3.166 N/A THR 88.A OG1 ASP 98.A O no hydrogen 2.646 N/A ARG 91.A N GLU 95.A OE1 no hydrogen 2.977 N/A GLU 95.A N SER 92.A OG no hydrogen 2.684 N/A PHE 96.A N SER 92.A O no hydrogen 3.008 N/A ASN 97.A ND2 ASN 97.A O no hydrogen 2.979 N/A TYR 100.A N PHE 87.A O no hydrogen 3.230 N/A LEU 101.A N LYS 50.A O no hydrogen 2.742 N/A VAL 102.A N ASP 85.A O no hydrogen 2.896 N/A THR 103.A N ALA 48.A O no hydrogen 3.009 N/A THR 103.A OG1 GLY 82.A O no hydrogen 2.614 N/A LEU 105.A N ARG 46.A O no hydrogen 3.130 N/A ALA 108.A N VAL 155.A O no hydrogen 3.172 N/A LEU 110.A N LEU 153.A O no hydrogen 2.943 N/A ASN 112.A N ASP 109.A OD1 no hydrogen 2.903 N/A ILE 113.A N ASP 109.A O no hydrogen 3.304 N/A VAL 114.A N LEU 110.A O no hydrogen 2.927 N/A LYS 115.A NZ VAL 114.A O no hydrogen 3.437 N/A LYS 115.A NZ LYS 115.A O no hydrogen 3.381 N/A ASP 122.A N THR 120.A OG1 no hydrogen 2.820 N/A VAL 124.A N THR 120.A O no hydrogen 2.863 N/A GLN 125.A N ASP 121.A O no hydrogen 2.994 N/A GLN 125.A NE2 ASP 121.A O no hydrogen 3.341 N/A GLN 125.A NE2 ASP 121.A OD2 no hydrogen 2.966 N/A PHE 126.A N ASP 122.A O no hydrogen 2.952 N/A LEU 127.A N HIS 123.A O no hydrogen 2.766 N/A ILE 128.A N VAL 124.A O no hydrogen 2.828 N/A TYR 129.A N GLN 125.A O no hydrogen 3.294 N/A TYR 129.A OH GLU 303.A OE2 no hydrogen 2.263 N/A GLN 130.A N PHE 126.A O no hydrogen 2.884 N/A ILE 131.A N LEU 127.A O no hydrogen 3.068 N/A LEU 132.A N ILE 128.A O no hydrogen 3.012 N/A ARG 133.A N GLN 130.A O no hydrogen 2.848 N/A ARG 133.A NE ASP 302.A O no hydrogen 3.043 N/A ARG 133.A NH1 ASN 79.A OD1 no hydrogen 3.126 N/A ARG 133.A NH2 ASP 302.A O no hydrogen 3.376 N/A GLY 134.A N GLN 130.A O no hydrogen 3.016 N/A LEU 135.A N ILE 131.A O no hydrogen 2.981 N/A LYS 136.A N LEU 132.A O no hydrogen 2.997 N/A TYR 137.A N ARG 133.A O no hydrogen 3.260 N/A TYR 137.A OH HIS 74.A O no hydrogen 3.220 N/A ILE 138.A N GLY 134.A O no hydrogen 2.913 N/A HIS 139.A N LEU 135.A O no hydrogen 2.735 N/A HIS 139.A NE2 ASP 191.A OD2 no hydrogen 2.923 N/A SER 140.A N TYR 137.A O no hydrogen 3.113 N/A SER 140.A OG TYR 137.A O no hydrogen 2.412 N/A ALA 141.A N ILE 138.A O no hydrogen 2.654 N/A HIS 145.A N ASP 191.A OD2 no hydrogen 2.761 N/A HIS 145.A NE2 ASP 165.A O no hydrogen 2.430 N/A ARG 146.A N ASP 191.A OD1 no hydrogen 2.857 N/A ASP 147.A N HIS 145.A ND1 no hydrogen 3.172 N/A LYS 149.A N ASN 152.A OD1 no hydrogen 2.810 N/A LYS 149.A NZ ASP 147.A OD2 no hydrogen 3.068 N/A ASN 152.A ND2 ASP 147.A O no hydrogen 3.168 N/A LEU 153.A N PRO 150.A O no hydrogen 2.921 N/A ALA 154.A N LYS 162.A O no hydrogen 3.177 N/A VAL 155.A N ALA 108.A O no hydrogen 2.916 N/A ASN 156.A N GLU 160.A O no hydrogen 2.866 N/A LYS 162.A N ALA 154.A O no hydrogen 2.766 N/A ILE 163.A N ASN 79.A O no hydrogen 2.741 N/A LEU 164.A N ASN 152.A O no hydrogen 2.882 N/A ARG 172.A N THR 171.A OG1 no hydrogen 2.697 N/A TRP 173.A NE1 GLY 211.A O no hydrogen 2.688 N/A TYR 174.A OH GLU 201.A OE1 no hydrogen 2.705 N/A TYR 174.A OH GLU 201.A OE2 no hydrogen 3.293 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.942 N/A ILE 179.A N ALA 176.A O no hydrogen 2.944 N/A MET 180.A N PRO 177.A O no hydrogen 3.092 N/A LEU 181.A N GLU 178.A O no hydrogen 2.963 N/A ASN 182.A N ILE 179.A O no hydrogen 3.198 N/A TRP 183.A N TYR 186.A OH no hydrogen 3.052 N/A TYR 186.A OH GLU 178.A O no hydrogen 3.419 N/A ASN 187.A ND2 ASP 280.A OD1 no hydrogen 3.102 N/A GLN 188.A NE2 HIS 139.A O no hydrogen 3.053 N/A THR 189.A N ASN 187.A OD1 no hydrogen 2.856 N/A THR 189.A OG1 SER 279.A O no hydrogen 2.580 N/A VAL 190.A N ASN 187.A O no hydrogen 3.039 N/A ASP 191.A N GLN 188.A O no hydrogen 2.838 N/A ILE 192.A N THR 189.A O no hydrogen 3.109 N/A TRP 193.A N THR 189.A O no hydrogen 3.194 N/A SER 194.A OG LEU 148.A O no hydrogen 3.059 N/A SER 194.A OG TYR 174.A O no hydrogen 2.381 N/A VAL 195.A N ASP 191.A O no hydrogen 3.126 N/A GLY 196.A N ILE 192.A O no hydrogen 2.953 N/A CYS 197.A N TRP 193.A O no hydrogen 3.147 N/A CYS 197.A N SER 194.A O no hydrogen 2.923 N/A CYS 197.A SG TRP 173.A O no hydrogen 3.816 N/A CYS 197.A SG TRP 193.A O no hydrogen 3.266 N/A ILE 198.A N SER 194.A O no hydrogen 2.993 N/A ILE 198.A N VAL 195.A O no hydrogen 2.750 N/A MET 199.A N VAL 195.A O no hydrogen 2.651 N/A ALA 200.A N GLY 196.A O no hydrogen 3.087 N/A LEU 202.A N ILE 198.A O no hydrogen 2.767 N/A LEU 203.A N MET 199.A O no hydrogen 3.009 N/A THR 204.A N ALA 200.A O no hydrogen 2.780 N/A THR 204.A OG1 ALA 200.A O no hydrogen 3.467 N/A ARG 206.A N THR 204.A OG1 no hydrogen 2.813 N/A THR 207.A OG1 GLU 201.A OE2 no hydrogen 3.348 N/A THR 212.A N ASP 216.A OD2 no hydrogen 2.733 N/A ASP 216.A N ASP 213.A OD1 no hydrogen 2.759 N/A GLN 217.A N ASP 213.A O no hydrogen 2.890 N/A GLN 217.A NE2 PHE 209.A O no hydrogen 3.126 N/A LEU 218.A N HIS 214.A O no hydrogen 3.270 N/A LYS 219.A N ILE 215.A O no hydrogen 2.937 N/A LEU 220.A N ASP 216.A O no hydrogen 2.686 N/A ILE 221.A N GLN 217.A O no hydrogen 2.856 N/A LEU 222.A N LEU 218.A O no hydrogen 2.970 N/A ARG 223.A N LYS 219.A O no hydrogen 2.864 N/A LEU 224.A N ILE 221.A O no hydrogen 2.890 N/A VAL 225.A N ILE 221.A O no hydrogen 3.238 N/A GLY 226.A N LEU 222.A O no hydrogen 2.977 N/A THR 227.A N MET 251.A O no hydrogen 3.085 N/A LEU 233.A N GLY 229.A O no hydrogen 3.320 N/A LYS 234.A N ALA 230.A O no hydrogen 3.271 N/A LYS 235.A NZ ASP 278.A OD1 no hydrogen 3.274 N/A LYS 235.A NZ ASP 278.A OD2 no hydrogen 3.360 N/A LYS 235.A NZ ASP 280.A OD2 no hydrogen 3.086 N/A ARG 242.A N SER 238.A O no hydrogen 3.138 N/A ARG 242.A NH1 ILE 236.A O no hydrogen 2.586 N/A ARG 242.A NH1 SER 237.A O no hydrogen 3.393 N/A ASN 243.A N GLU 239.A O no hydrogen 2.937 N/A TYR 244.A N SER 240.A O no hydrogen 2.762 N/A ILE 245.A N ALA 241.A O no hydrogen 3.125 N/A GLN 246.A N ARG 242.A O no hydrogen 3.124 N/A SER 247.A N ASN 243.A O no hydrogen 2.615 N/A SER 247.A OG TYR 244.A O no hydrogen 2.956 N/A LEU 248.A N ILE 245.A O no hydrogen 2.875 N/A LYS 253.A NZ GLU 272.A OE2 no hydrogen 3.387 N/A MET 254.A N LEU 224.A O no hydrogen 2.889 N/A PHE 256.A N GLU 272.A OE2 no hydrogen 2.973 N/A ALA 257.A N ASN 255.A OD1 no hydrogen 2.789 N/A ASN 258.A N ASN 255.A O no hydrogen 2.560 N/A VAL 259.A N ASN 255.A O no hydrogen 3.217 N/A PHE 260.A N PHE 256.A O no hydrogen 2.678 N/A ASN 264.A ND2 ASP 121.A OD2 no hydrogen 2.993 N/A LEU 266.A N ASN 264.A OD1 no hydrogen 2.714 N/A VAL 268.A N ASN 264.A O no hydrogen 3.074 N/A ASP 269.A N PRO 265.A O no hydrogen 3.147 N/A LEU 270.A N LEU 266.A O no hydrogen 3.165 N/A LEU 271.A N ALA 267.A O no hydrogen 2.723 N/A GLU 272.A N VAL 268.A O no hydrogen 2.792 N/A LYS 273.A N LEU 270.A O no hydrogen 2.538 N/A LYS 273.A NZ ASP 269.A OD1 no hydrogen 3.142 N/A LYS 273.A NZ ASP 269.A OD2 no hydrogen 2.972 N/A MET 274.A N LEU 270.A O no hydrogen 3.153 N/A MET 274.A N LEU 271.A O no hydrogen 3.053 N/A LEU 275.A N LEU 271.A O no hydrogen 2.939 N/A VAL 276.A N MET 274.A O no hydrogen 2.614 N/A ASP 280.A N ASP 278.A OD1 no hydrogen 3.075 N/A LYS 281.A N ASP 278.A O no hydrogen 2.504 N/A ARG 282.A NE VAL 276.A O no hydrogen 2.617 N/A ARG 282.A NH1 GLU 178.A OE2 no hydrogen 3.354 N/A ARG 282.A NH1 THR 189.A O no hydrogen 3.022 N/A ARG 282.A NH2 GLU 178.A OE1 no hydrogen 2.962 N/A ARG 282.A NH2 VAL 276.A O no hydrogen 3.164 N/A ILE 283.A N LYS 273.A O no hydrogen 3.214 N/A THR 284.A N GLN 287.A OE1 no hydrogen 3.091 N/A GLN 287.A N THR 284.A OG1 no hydrogen 2.829 N/A ALA 288.A N THR 284.A O no hydrogen 3.174 N/A LEU 289.A N ALA 286.A O no hydrogen 3.140 N/A ALA 290.A N GLN 287.A O no hydrogen 3.003 N/A HIS 291.A N ALA 288.A O no hydrogen 3.322 N/A HIS 291.A NE2 ASP 269.A OD1 no hydrogen 2.415 N/A TYR 293.A N HIS 291.A ND1 no hydrogen 3.126 N/A TYR 293.A OH ASP 121.A OD1 no hydrogen 3.105 N/A PHE 294.A N HIS 291.A O no hydrogen 3.237 N/A ALA 295.A N ALA 292.A O no hydrogen 2.340 N/A TYR 297.A N PHE 294.A O no hydrogen 3.176 N/A TYR 297.A OH ASP 122.A O no hydrogen 3.318 N/A HIS 298.A N PHE 294.A O no hydrogen 2.560 N/A HIS 298.A ND1 GLU 303.A OE2 no hydrogen 2.706 N/A ASP 302.A N ASP 299.A O no hydrogen 2.926 N/A ALA 306.A N SER 140.A OG no hydrogen 2.848 N/A SER 312.A N ASP 310.A OD1 no hydrogen 2.935 N/A GLU 314.A N GLN 311.A O no hydrogen 3.000 N/A SER 315.A N SER 312.A O no hydrogen 2.907 N/A SER 315.A OG SER 312.A O no hydrogen 3.002 N/A ARG 316.A N PHE 313.A O no hydrogen 2.828 N/A LEU 319.A N GLU 322.A OE1 no hydrogen 3.009 N/A TRP 323.A N LEU 319.A O no hydrogen 3.104 N/A LYS 324.A N ILE 320.A O no hydrogen 2.952 N/A LYS 324.A NZ PHE 96.A O no hydrogen 2.557 N/A SER 325.A N ASP 321.A O no hydrogen 2.811 N/A SER 325.A OG ASP 329.A OD2 no hydrogen 3.455 N/A LEU 326.A N GLU 322.A O no hydrogen 3.229 N/A THR 327.A N TRP 323.A O no hydrogen 2.923 N/A THR 327.A OG1 TRP 323.A O no hydrogen 3.197 N/A TYR 328.A N LYS 324.A O no hydrogen 2.995 N/A ASP 329.A N SER 325.A O no hydrogen 2.745 N/A GLU 330.A N LEU 326.A O no hydrogen 2.815 N/A VAL 331.A N THR 327.A O no hydrogen 2.701 N/A ILE 332.A N TYR 328.A O no hydrogen 2.844 N/A SER 333.A N GLU 330.A O no hydrogen 3.017 N/A SER 333.A OG GLU 330.A O no hydrogen 2.866 N/A SER 333.A OG GLU 330.A OE1 no hydrogen 3.539 N/A PHE 334.A N VAL 331.A O no hydrogen 3.198 N/A