Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3x2u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 7.A N SER 3.A O no hydrogen 3.079 N/A LEU 8.A N VAL 4.A O no hydrogen 2.857 N/A ALA 9.A N LYS 5.A O no hydrogen 2.867 N/A LYS 10.A N GLU 6.A O no hydrogen 3.168 N/A ALA 11.A N PHE 7.A O no hydrogen 2.915 N/A LYS 12.A N LEU 8.A O no hydrogen 3.070 N/A LYS 12.A NZ SER 147.A O no hydrogen 3.079 N/A LYS 12.A NZ ASP 149.A OD2 no hydrogen 2.632 N/A GLU 13.A N ALA 9.A O no hydrogen 3.389 N/A ASP 14.A N LYS 10.A O no hydrogen 3.065 N/A PHE 15.A N ALA 11.A O no hydrogen 2.898 N/A LEU 16.A N LYS 12.A O no hydrogen 2.889 N/A LYS 17.A N GLU 13.A O no hydrogen 3.190 N/A TRP 19.A N PHE 15.A O no hydrogen 2.711 N/A GLU 20.A N LEU 16.A O no hydrogen 2.911 N/A THR 21.A N LYS 17.A O no hydrogen 3.394 N/A SER 23.A N GLN 85.A OE1 no hydrogen 3.130 N/A THR 26.A N SER 98.A O no hydrogen 3.046 N/A THR 26.A OG1 SER 98.A O no hydrogen 3.437 N/A GLN 28.A N GLN 31.A OE1 no hydrogen 2.971 N/A GLN 28.A NE2 ASP 30.A OD1 no hydrogen 2.808 N/A GLN 28.A NE2 ASP 30.A OD2 no hydrogen 3.304 N/A GLN 31.A N GLN 28.A O no hydrogen 3.230 N/A PHE 32.A N LEU 29.A O no hydrogen 3.371 N/A ASP 33.A N LYS 50.A O no hydrogen 2.906 N/A ILE 35.A N LEU 48.A O no hydrogen 3.133 N/A LYS 36.A NZ THR 311.A OG1 no hydrogen 3.061 N/A LYS 36.A NZ ASP 316.A OD1 no hydrogen 2.838 N/A THR 37.A N GLU 319.A OE2 no hydrogen 3.275 N/A THR 37.A OG1 GLU 319.A OE1 no hydrogen 2.667 N/A LEU 38.A N VAL 46.A O no hydrogen 2.748 N/A ARG 45.A NH1 GLU 318.A O no hydrogen 3.522 N/A ARG 45.A NH2 GLU 318.A O no hydrogen 2.743 N/A VAL 46.A N GLY 39.A O no hydrogen 2.843 N/A MET 47.A N MET 60.A O no hydrogen 2.789 N/A LEU 48.A N LYS 36.A O no hydrogen 2.620 N/A VAL 49.A N TYR 58.A O no hydrogen 2.803 N/A LYS 50.A N ASP 33.A O no hydrogen 3.134 N/A HIS 51.A N ASN 56.A O no hydrogen 2.740 N/A LYS 52.A N GLN 31.A O no hydrogen 2.881 N/A SER 54.A N HIS 51.A O no hydrogen 3.191 N/A GLY 55.A N HIS 51.A O no hydrogen 2.631 N/A ASN 56.A N SER 54.A OG no hydrogen 3.275 N/A ASN 56.A ND2 SER 54.A OG no hydrogen 2.299 N/A TYR 58.A N VAL 49.A O no hydrogen 2.682 N/A ALA 59.A N MET 109.A O no hydrogen 2.759 N/A MET 60.A N MET 47.A O no hydrogen 2.690 N/A LYS 61.A N MET 107.A O no hydrogen 2.813 N/A LYS 61.A NZ GLU 80.A OE2 no hydrogen 2.788 N/A ILE 62.A N ARG 45.A O no hydrogen 2.870 N/A LEU 63.A N LEU 105.A O no hydrogen 2.763 N/A ASP 64.A N PHE 43.A O no hydrogen 2.569 N/A LYS 65.A N SER 103.A O no hydrogen 3.058 N/A LYS 65.A NZ ASP 101.A O no hydrogen 2.729 N/A LYS 65.A NZ ASN 102.A O no hydrogen 3.347 N/A LYS 65.A NZ LYS 328.A O no hydrogen 2.916 N/A GLN 66.A N ASP 64.A OD1 no hydrogen 2.986 N/A LYS 67.A N ASP 64.A OD1 no hydrogen 3.392 N/A VAL 68.A N ASP 64.A O no hydrogen 3.050 N/A VAL 69.A N LYS 65.A O no hydrogen 3.035 N/A LYS 70.A N GLN 66.A O no hydrogen 2.906 N/A LEU 71.A N LYS 67.A O no hydrogen 3.013 N/A LYS 72.A N VAL 69.A O no hydrogen 3.160 N/A GLN 73.A N VAL 68.A O no hydrogen 2.867 N/A GLN 73.A NE2 LEU 71.A O no hydrogen 3.186 N/A HIS 76.A ND1 GLN 73.A OE1 no hydrogen 2.965 N/A THR 77.A N GLN 73.A O no hydrogen 2.889 N/A THR 77.A OG1 GLN 73.A O no hydrogen 2.741 N/A LEU 78.A N ILE 74.A O no hydrogen 3.030 N/A ASN 79.A N GLU 75.A O no hydrogen 2.842 N/A ASN 79.A ND2 ALA 176.A O no hydrogen 3.651 N/A GLU 80.A N HIS 76.A O no hydrogen 2.957 N/A LYS 81.A N THR 77.A O no hydrogen 3.198 N/A LYS 81.A NZ SER 23.A O no hydrogen 2.551 N/A LYS 81.A NZ PHE 336.A OXT no hydrogen 2.983 N/A ARG 82.A N LEU 78.A O no hydrogen 3.167 N/A ARG 82.A NE TRP 19.A O no hydrogen 2.965 N/A ARG 82.A NH2 TRP 19.A O no hydrogen 2.934 N/A ILE 83.A N ASN 79.A O no hydrogen 2.803 N/A LEU 84.A N GLU 80.A O no hydrogen 2.963 N/A GLN 85.A N LYS 81.A O no hydrogen 2.929 N/A GLN 85.A NE2 LYS 18.A O no hydrogen 3.083 N/A GLN 85.A NE2 ARG 82.A O no hydrogen 2.676 N/A ALA 86.A N ILE 83.A O no hydrogen 3.213 N/A VAL 87.A N ILE 83.A O no hydrogen 3.045 N/A ASN 88.A N TYR 144.A OH no hydrogen 2.840 N/A LEU 92.A N PHE 89.A O no hydrogen 2.975 N/A VAL 93.A N VAL 170.A O no hydrogen 3.020 N/A LYS 94.A NZ GLU 96.A OE1 no hydrogen 3.253 N/A LYS 94.A NZ GLU 96.A OE2 no hydrogen 3.000 N/A GLU 96.A N VAL 108.A O no hydrogen 2.808 N/A PHE 97.A N VAL 108.A O no hydrogen 3.183 N/A SER 98.A N THR 26.A OG1 no hydrogen 3.060 N/A PHE 99.A N TYR 106.A O no hydrogen 3.113 N/A LYS 100.A NZ PHE 333.A O no hydrogen 2.515 N/A LYS 100.A NZ THR 334.A O no hydrogen 3.182 N/A LYS 100.A NZ PHE 336.A O no hydrogen 3.041 N/A ASP 101.A N ASN 104.A O no hydrogen 3.038 N/A SER 103.A N ASP 101.A OD1 no hydrogen 3.069 N/A ASN 104.A N ASP 101.A OD1 no hydrogen 2.815 N/A ASN 104.A ND2 TYR 106.A OH no hydrogen 3.139 N/A LEU 105.A N LEU 63.A O no hydrogen 2.680 N/A TYR 106.A N PHE 99.A O no hydrogen 2.729 N/A TYR 106.A OH ASP 101.A OD2 no hydrogen 2.473 N/A MET 107.A N LYS 61.A O no hydrogen 2.956 N/A VAL 108.A N PHE 97.A O no hydrogen 2.767 N/A MET 109.A N ALA 59.A O no hydrogen 2.947 N/A GLU 110.A N LYS 94.A O no hydrogen 2.998 N/A TYR 111.A OH ASP 310.A O no hydrogen 2.459 N/A MET 117.A N LEU 160.A O no hydrogen 2.620 N/A PHE 118.A N PRO 157.A O no hydrogen 3.149 N/A HIS 120.A NE2 GLY 114.A O no hydrogen 2.486 N/A LEU 121.A N MET 117.A O no hydrogen 2.805 N/A ARG 122.A N PHE 118.A O no hydrogen 2.903 N/A ARG 122.A NH1 GLU 217.A OE2 no hydrogen 2.878 N/A ARG 122.A NH2 GLU 217.A OE2 no hydrogen 2.953 N/A ARG 123.A N SER 119.A O no hydrogen 3.117 N/A ILE 124.A N HIS 120.A O no hydrogen 2.994 N/A GLY 125.A N LEU 121.A O no hydrogen 2.883 N/A PHE 127.A N MET 218.A O no hydrogen 2.766 N/A HIS 130.A NE2 TYR 134.A OH no hydrogen 3.210 N/A ARG 132.A N.B GLU 128.A O no hydrogen 2.826 N/A PHE 133.A N PRO 129.A O no hydrogen 3.367 N/A TYR 134.A OH HIS 130.A NE2 no hydrogen 3.210 N/A ALA 135.A N ALA 131.A O no hydrogen 3.037 N/A ALA 136.A N ARG 132.A O.A no hydrogen 2.998 N/A ALA 136.A N ARG 132.A O.B no hydrogen 2.953 N/A GLN 137.A NE2 PHE 133.A O no hydrogen 3.257 N/A ILE 138.A N TYR 134.A O no hydrogen 3.260 N/A VAL 139.A N ALA 135.A O no hydrogen 2.894 N/A LEU 140.A N ALA 136.A O no hydrogen 3.072 N/A THR 141.A N GLN 137.A O no hydrogen 3.023 N/A THR 141.A OG1 GLN 137.A O no hydrogen 2.644 N/A PHE 142.A N ILE 138.A O no hydrogen 2.831 N/A GLU 143.A N VAL 139.A O no hydrogen 3.030 N/A TYR 144.A N LEU 140.A O no hydrogen 3.108 N/A LEU 145.A N THR 141.A O no hydrogen 2.908 N/A HIS 146.A N PHE 142.A O no hydrogen 2.791 N/A HIS 146.A NE2 ASP 207.A OD2 no hydrogen 2.929 N/A SER 147.A N GLU 143.A O no hydrogen 3.233 N/A SER 147.A OG GLU 143.A O no hydrogen 3.402 N/A SER 147.A OG TYR 144.A O no hydrogen 2.452 N/A LEU 148.A N LEU 145.A O no hydrogen 2.955 N/A ASP 149.A N HIS 146.A O no hydrogen 2.880 N/A LEU 150.A N LEU 145.A O no hydrogen 3.040 N/A ILE 151.A N LYS 177.A O no hydrogen 2.930 N/A TYR 152.A N ASP 207.A OD2 no hydrogen 3.044 N/A TYR 152.A OH THR 171.A O no hydrogen 2.413 N/A TYR 152.A OH ASP 172.A O no hydrogen 3.160 N/A ARG 153.A N ASP 207.A OD1 no hydrogen 2.918 N/A ARG 153.A NE PHE 175.A O no hydrogen 2.724 N/A ARG 153.A NH1 TYR 202.A OH no hydrogen 2.915 N/A ARG 153.A NH2 PHE 175.A O no hydrogen 2.938 N/A LYS 156.A NZ THR 188.A OG1 no hydrogen 2.650 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 2.641 N/A ASN 159.A N LYS 156.A O no hydrogen 3.011 N/A ASN 159.A ND2 ASP 154.A O no hydrogen 3.147 N/A ASN 159.A ND2 ASP 154.A OD2 no hydrogen 3.480 N/A LEU 160.A N PRO 157.A O no hydrogen 3.301 N/A LEU 161.A N GLN 169.A O no hydrogen 2.944 N/A ILE 162.A N GLY 115.A O no hydrogen 3.068 N/A ASP 163.A N TYR 167.A O no hydrogen 2.721 N/A GLY 166.A N ASP 163.A O no hydrogen 3.012 N/A TYR 167.A N ASP 163.A OD1 no hydrogen 2.550 N/A TYR 167.A OH VAL 297.A O no hydrogen 3.218 N/A ILE 168.A N GLN 137.A OE1 no hydrogen 2.716 N/A GLN 169.A N LEU 161.A O no hydrogen 2.735 N/A GLN 169.A NE2 PRO 90.A O no hydrogen 2.819 N/A GLN 169.A NE2 ILE 168.A O no hydrogen 3.296 N/A VAL 170.A N PHE 91.A O no hydrogen 2.758 N/A THR 171.A N ASN 159.A O no hydrogen 3.015 N/A GLY 174.A N ASP 172.A OD1 no hydrogen 3.193 N/A ALA 176.A N PHE 173.A O no hydrogen 3.038 N/A LYS 177.A N ILE 151.A O no hydrogen 3.089 N/A LYS 177.A NZ THR 183.A OG1 no hydrogen 3.076 N/A ARG 178.A NE LEU 148.A O no hydrogen 2.944 N/A ARG 178.A NH2 ASP 149.A OD2 no hydrogen 3.440 N/A VAL 179.A N ASP 149.A O no hydrogen 2.667 N/A LYS 180.A NZ ASP 149.A OD2 no hydrogen 3.382 N/A THR 183.A N TYR 202.A O no hydrogen 3.008 N/A THR 188.A OG1 ASP 154.A OD1 no hydrogen 2.972 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.628 N/A TYR 191.A N THR 188.A O no hydrogen 2.729 N/A TYR 191.A OH GLU 217.A OE1 no hydrogen 2.617 N/A LEU 192.A N PRO 189.A O no hydrogen 3.207 N/A GLU 195.A N GLU 195.A OE2 no hydrogen 2.639 N/A ILE 196.A N ALA 193.A O no hydrogen 2.972 N/A ILE 197.A N ALA 193.A O no hydrogen 3.312 N/A LEU 198.A N PRO 194.A O no hydrogen 2.975 N/A SER 199.A N ILE 196.A O no hydrogen 3.035 N/A LYS 200.A N GLU 195.A O no hydrogen 3.044 N/A TYR 202.A N THR 183.A O no hydrogen 2.871 N/A LYS 204.A NZ VAL 179.A O no hydrogen 2.876 N/A ALA 205.A N ASN 203.A OD1 no hydrogen 3.065 N/A VAL 206.A N ASN 203.A O no hydrogen 3.205 N/A ASP 207.A N LYS 204.A O no hydrogen 3.234 N/A TRP 209.A N ALA 205.A O no hydrogen 3.227 N/A ALA 210.A N VAL 206.A O no hydrogen 3.219 N/A LEU 211.A N ASP 207.A O no hydrogen 2.924 N/A GLY 212.A N TRP 208.A O no hydrogen 3.104 N/A VAL 213.A N TRP 209.A O no hydrogen 3.042 N/A LEU 214.A N ALA 210.A O no hydrogen 2.888 N/A ILE 215.A N LEU 211.A O no hydrogen 2.866 N/A TYR 216.A N GLY 212.A O no hydrogen 2.913 N/A TYR 216.A OH ARG 243.A O no hydrogen 2.264 N/A GLU 217.A N VAL 213.A O no hydrogen 2.912 N/A MET 218.A N LEU 214.A O no hydrogen 2.852 N/A ALA 219.A N ILE 215.A O no hydrogen 3.125 N/A ALA 219.A N TYR 216.A O no hydrogen 3.163 N/A ALA 220.A N TYR 216.A O no hydrogen 2.728 N/A GLY 221.A N GLU 217.A O no hydrogen 2.873 N/A ILE 233.A N GLN 229.A O no hydrogen 3.201 N/A TYR 234.A N PRO 230.A O no hydrogen 2.849 N/A GLU 235.A N ILE 231.A O no hydrogen 2.953 N/A LYS 236.A N GLN 232.A O no hydrogen 3.343 N/A ILE 237.A N ILE 233.A O no hydrogen 2.992 N/A VAL 238.A N TYR 234.A O no hydrogen 2.814 N/A SER 239.A N GLU 235.A O no hydrogen 2.973 N/A GLY 240.A N ILE 237.A O no hydrogen 3.292 N/A LYS 241.A N SER 239.A OG no hydrogen 3.276 N/A PHE 248.A N PRO 245.A O no hydrogen 3.118 N/A SER 249.A N GLU 128.A OE2 no hydrogen 2.791 N/A SER 249.A OG GLU 128.A OE1 no hydrogen 2.853 N/A LEU 252.A N SER 249.A OG no hydrogen 3.117 N/A LYS 253.A N SER 249.A O no hydrogen 3.016 N/A ASP 254.A N SER 250.A O no hydrogen 3.172 N/A LEU 255.A N ASP 251.A O no hydrogen 2.948 N/A LEU 256.A N LEU 252.A O no hydrogen 3.094 N/A ARG 257.A N LYS 253.A O no hydrogen 3.030 N/A ASN 258.A N ASP 254.A O no hydrogen 3.330 N/A LEU 259.A N LEU 255.A O no hydrogen 3.011 N/A LEU 260.A N LEU 256.A O no hydrogen 2.649 N/A ASP 263.A N GLN 261.A OE1 no hydrogen 3.033 N/A THR 265.A OG1 ASP 263.A OD2 no hydrogen 2.412 N/A LYS 266.A N ASP 263.A O no hydrogen 2.912 N/A ARG 267.A NE GLN 261.A O no hydrogen 2.881 N/A ARG 267.A NH1 GLU 195.A OE1 no hydrogen 2.641 N/A ARG 267.A NH1 ALA 205.A O no hydrogen 2.903 N/A ARG 267.A NH2 GLU 195.A OE2 no hydrogen 2.846 N/A ARG 267.A NH2 GLN 261.A O no hydrogen 3.204 N/A PHE 268.A N ASN 258.A O no hydrogen 3.063 N/A ASN 270.A N ARG 267.A O no hydrogen 3.103 N/A ASN 270.A ND2 LEU 264.A O no hydrogen 2.737 N/A ASN 273.A ND2 ASP 277.A OD1 no hydrogen 3.035 N/A GLY 274.A N LEU 271.A O no hydrogen 2.924 N/A ASN 276.A N ASN 273.A O no hydrogen 3.149 N/A ILE 278.A N VAL 275.A O no hydrogen 2.887 N/A LYS 279.A N VAL 275.A O no hydrogen 3.072 N/A LYS 279.A NZ GLU 143.A OE1 no hydrogen 2.842 N/A LYS 279.A NZ GLU 143.A OE2 no hydrogen 3.354 N/A ASN 280.A N ASN 276.A O no hydrogen 3.014 N/A HIS 281.A N ILE 278.A O no hydrogen 3.154 N/A HIS 281.A NE2 ASP 254.A OD2 no hydrogen 2.861 N/A TRP 283.A N HIS 281.A ND1 no hydrogen 2.946 N/A TRP 283.A NE1 GLU 128.A OE1 no hydrogen 2.996 N/A PHE 284.A N HIS 281.A O no hydrogen 2.959 N/A ALA 285.A N LYS 282.A O no hydrogen 2.910 N/A THR 287.A N PHE 284.A O no hydrogen 2.973 N/A THR 287.A OG1 PHE 284.A O no hydrogen 3.485 N/A TRP 289.A NE1 LYS 279.A O no hydrogen 3.153 N/A ILE 290.A N ASP 288.A OD1 no hydrogen 3.258 N/A ILE 292.A N ASP 288.A O no hydrogen 3.002 N/A TYR 293.A N TRP 289.A O no hydrogen 3.200 N/A GLN 294.A N ILE 290.A O no hydrogen 2.883 N/A ARG 295.A N ILE 292.A O no hydrogen 2.858 N/A LYS 296.A N ALA 291.A O no hydrogen 2.763 N/A VAL 297.A N ALA 291.A O no hydrogen 3.428 N/A ASP 310.A N GLY 307.A O no hydrogen 3.220 N/A SER 312.A N ASP 310.A OD1 no hydrogen 3.260 N/A SER 312.A OG.A ASP 310.A OD1 no hydrogen 3.346 N/A SER 312.A OG.A ASP 310.A OD2 no hydrogen 2.657 N/A SER 312.A OG.B ASP 310.A OD1 no hydrogen 2.824 N/A ASN 313.A ND2 ALA 113.A O no hydrogen 3.212 N/A PHE 314.A N THR 311.A O no hydrogen 3.084 N/A LYS 328.A N ASN 102.A O no hydrogen 2.745 N/A GLU 332.A N GLU 332.A OE1 no hydrogen 2.400 N/A THR 334.A N LYS 331.A O no hydrogen 3.363 N/A PHE 336.A N PHE 333.A O no hydrogen 3.286 N/A