Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dsq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG PRO 1.A O no hydrogen 2.808 N/A SER 5.A N PHE 29.A O no hydrogen 2.945 N/A SER 5.A OG PHE 29.A O no hydrogen 3.224 N/A TRP 7.A NE1 GLN 24.A O no hydrogen 2.565 N/A THR 8.A N GLN 11.A OE1 no hydrogen 2.956 N/A THR 8.A OG1 GLN 11.A OE1 no hydrogen 3.419 N/A GLN 11.A NE2 ASP 36.A OD1 no hydrogen 3.070 N/A TYR 12.A N THR 8.A O no hydrogen 2.858 N/A GLN 13.A N LYS 9.A O no hydrogen 3.039 N/A ARG 14.A N VAL 10.A O no hydrogen 3.051 N/A ARG 14.A NE GLU 43.A OE2 no hydrogen 2.828 N/A ARG 14.A NH1 GLU 17.A OE1 no hydrogen 3.129 N/A ARG 14.A NH2 ASN 277.A O no hydrogen 3.444 N/A LEU 15.A N GLN 11.A O no hydrogen 3.103 N/A LYS 16.A N TYR 12.A O no hydrogen 2.950 N/A GLU 17.A N GLN 13.A O no hydrogen 2.896 N/A LEU 18.A N ARG 14.A O no hydrogen 3.077 N/A ASN 19.A N LYS 16.A O no hydrogen 3.009 N/A ALA 20.A N LEU 15.A O no hydrogen 2.855 N/A SER 21.A N GLN 24.A OE1 no hydrogen 2.843 N/A GLN 24.A N SER 21.A OG no hydrogen 3.008 N/A GLU 26.A N GLU 23.A O no hydrogen 2.874 N/A MET 27.A N GLN 24.A O no hydrogen 3.451 N/A PHE 29.A N SER 5.A O no hydrogen 2.654 N/A SER 34.A N ASP 31.A OD1 no hydrogen 2.618 N/A SER 34.A OG ASP 31.A OD1 no hydrogen 2.606 N/A SER 34.A OG ASP 31.A OD2 no hydrogen 2.766 N/A ARG 35.A N ASP 31.A O no hydrogen 3.134 N/A ARG 35.A NE ASP 36.A OD1 no hydrogen 2.965 N/A ARG 35.A NH1 PHE 6.A O no hydrogen 3.424 N/A ARG 35.A NH2 ASP 36.A OD1 no hydrogen 3.008 N/A ASP 36.A N ALA 32.A O no hydrogen 3.315 N/A ARG 37.A N LEU 33.A O no hydrogen 3.185 N/A ALA 38.A N SER 34.A O no hydrogen 3.081 N/A PHE 39.A N ARG 35.A O no hydrogen 2.684 N/A GLN 40.A N ASP 36.A O no hydrogen 3.074 N/A GLN 40.A NE2 ASP 36.A O no hydrogen 3.580 N/A GLY 41.A N ARG 37.A O no hydrogen 3.255 N/A ILE 42.A N ALA 38.A O no hydrogen 2.864 N/A GLU 43.A N PHE 39.A O no hydrogen 2.772 N/A HIS 44.A N GLN 40.A O no hydrogen 3.218 N/A GLN 45.A N GLY 41.A O no hydrogen 3.217 N/A LEU 46.A N ILE 42.A O no hydrogen 3.007 N/A MET 47.A N GLU 43.A O no hydrogen 2.753 N/A SER 48.A N HIS 44.A O no hydrogen 2.968 N/A GLN 49.A N GLN 45.A O no hydrogen 3.032 N/A GLY 50.A N LEU 46.A O no hydrogen 2.799 N/A LYS 51.A N MET 47.A O no hydrogen 2.958 N/A ARG 52.A N SER 48.A O no hydrogen 3.072 N/A HIS 53.A N GLN 49.A O no hydrogen 3.124 N/A LEU 54.A N GLY 50.A O no hydrogen 2.979 N/A GLU 55.A N ARG 52.A O no hydrogen 3.081 N/A GLN 56.A N HIS 53.A O no hydrogen 3.155 N/A LEU 57.A N HIS 53.A O no hydrogen 3.399 N/A ARG 58.A N LEU 54.A O no hydrogen 2.783 N/A ARG 58.A NE GLU 55.A OE2 no hydrogen 2.681 N/A ARG 58.A NH2 GLU 55.A OE1 no hydrogen 2.568 N/A ARG 58.A NH2 GLU 55.A OE2 no hydrogen 3.147 N/A THR 59.A N GLU 55.A O no hydrogen 2.746 N/A THR 59.A OG1 GLU 55.A O no hydrogen 2.795 N/A VAL 60.A N GLN 56.A O no hydrogen 2.799 N/A LYS 61.A N GLN 56.A O no hydrogen 2.830 N/A LYS 61.A NZ ASP 272.A OD1 no hydrogen 3.173 N/A LYS 61.A NZ ASP 272.A OD2 no hydrogen 2.528 N/A HIS 62.A N LEU 57.A O no hydrogen 2.876 N/A ARG 63.A NH1 GLU 71.A OE1 no hydrogen 2.729 N/A ARG 63.A NH2 GLU 71.A OE2 no hydrogen 2.895 N/A ALA 65.A N ASP 272.A OD1 no hydrogen 3.042 N/A GLU 68.A N PRO 64.A O no hydrogen 2.962 N/A LEU 69.A N ALA 65.A O no hydrogen 2.747 N/A GLU 70.A N LEU 66.A O no hydrogen 2.919 N/A GLU 71.A N LEU 67.A O no hydrogen 3.103 N/A LYS 72.A N GLU 68.A O no hydrogen 3.027 N/A LEU 73.A N LEU 69.A O no hydrogen 2.818 N/A ALA 74.A N GLU 70.A O no hydrogen 3.070 N/A LYS 75.A N GLU 71.A O no hydrogen 3.135 N/A LYS 75.A NZ GLU 71.A OE2 no hydrogen 3.148 N/A ALA 76.A N LYS 72.A O no hydrogen 3.154 N/A LEU 77.A N LEU 73.A O no hydrogen 3.076 N/A HIS 78.A N ALA 74.A O no hydrogen 2.838 N/A GLN 79.A N LYS 75.A O no hydrogen 2.979 N/A GLN 80.A N LEU 77.A O no hydrogen 2.948 N/A GLY 81.A N HIS 78.A O no hydrogen 3.185 N/A PHE 82.A N LEU 77.A O no hydrogen 3.069 N/A VAL 83.A N ARG 142.A O no hydrogen 2.757 N/A GLN 84.A NE2 HIS 78.A NE2 no hydrogen 2.887 N/A VAL 85.A N PHE 144.A O no hydrogen 2.831 N/A THR 87.A N GLU 145.A OE1 no hydrogen 2.975 N/A THR 87.A OG1 GLU 145.A OE1 no hydrogen 3.136 N/A THR 87.A OG1 GLU 145.A OE2 no hydrogen 2.429 N/A ILE 91.A N CYS 117.A O no hydrogen 2.877 N/A LYS 93.A N LYS 115.A O no hydrogen 2.841 N/A ALA 95.A N THR 92.A OG1 no hydrogen 3.016 N/A LEU 96.A N THR 92.A O no hydrogen 3.081 N/A ALA 97.A N LYS 93.A O no hydrogen 2.973 N/A LYS 98.A N SER 94.A O no hydrogen 3.294 N/A LYS 98.A N ALA 95.A O no hydrogen 3.151 N/A MET 99.A N LEU 96.A O no hydrogen 3.004 N/A THR 100.A N ALA 97.A O no hydrogen 3.083 N/A THR 100.A OG1 ALA 97.A O no hydrogen 3.484 N/A SER 107.A OG GLN 108.A OE1 no hydrogen 3.172 N/A GLN 108.A N LEU 105.A O no hydrogen 3.130 N/A TRP 111.A NE1 PHE 106.A O no hydrogen 2.926 N/A LEU 112.A N LYS 116.A O no hydrogen 2.727 N/A ASP 113.A N LYS 116.A O no hydrogen 3.383 N/A LYS 115.A N ASP 113.A OD1 no hydrogen 2.542 N/A LYS 115.A NZ ASP 113.A OD2 no hydrogen 2.720 N/A LYS 116.A N ASP 113.A O no hydrogen 3.211 N/A LYS 116.A N ASP 113.A OD1 no hydrogen 2.695 N/A CYS 117.A N ILE 91.A O no hydrogen 3.059 N/A CYS 117.A SG ILE 91.A O no hydrogen 4.038 N/A CYS 117.A SG LEU 118.A O no hydrogen 3.854 N/A LEU 118.A N PHE 110.A O no hydrogen 2.975 N/A ARG 119.A N THR 89.A O no hydrogen 2.885 N/A ARG 119.A NE THR 148.A O no hydrogen 2.766 N/A ARG 119.A NH1 PRO 88.A O no hydrogen 3.107 N/A ARG 119.A NH1 GLU 145.A OE1 no hydrogen 2.973 N/A ARG 119.A NH2 GLU 145.A OE1 no hydrogen 3.558 N/A ARG 119.A NH2 THR 148.A O no hydrogen 3.029 N/A ASN 125.A ND2 THR 87.A OG1 no hydrogen 2.695 N/A ASN 125.A ND2 PRO 88.A O no hydrogen 2.754 N/A LEU 126.A N LEU 122.A O no hydrogen 3.151 N/A TYR 127.A N ALA 123.A O no hydrogen 2.685 N/A TYR 127.A OH ASP 232.A OD1 no hydrogen 2.664 N/A THR 128.A N PRO 124.A O no hydrogen 3.093 N/A THR 128.A OG1 PRO 124.A O no hydrogen 3.001 N/A LEU 129.A N ASN 125.A O no hydrogen 3.106 N/A TRP 130.A N LEU 126.A O no hydrogen 2.874 N/A TRP 130.A NE1 THR 169.A OG1 no hydrogen 2.923 N/A ARG 131.A N TYR 127.A O no hydrogen 3.383 N/A ARG 131.A NH1 GLU 134.A OE1 no hydrogen 2.936 N/A GLU 132.A N THR 128.A O no hydrogen 3.143 N/A LEU 133.A N LEU 129.A O no hydrogen 2.785 N/A GLU 134.A N TRP 130.A O no hydrogen 2.853 N/A ARG 135.A N GLU 132.A O no hydrogen 3.216 N/A ARG 135.A NE ARG 131.A O no hydrogen 3.224 N/A LEU 136.A N LEU 133.A O no hydrogen 2.849 N/A TRP 137.A N LEU 133.A O no hydrogen 2.779 N/A LYS 139.A NZ GLU 134.A OE2 no hydrogen 3.140 N/A ILE 141.A N LEU 171.A O no hydrogen 2.730 N/A ARG 142.A NE GLU 170.A OE2 no hydrogen 2.736 N/A ARG 142.A NH1 GLN 80.A O no hydrogen 2.686 N/A ARG 142.A NH2 GLU 170.A OE2 no hydrogen 3.189 N/A ILE 143.A N THR 169.A O no hydrogen 3.268 N/A PHE 144.A N VAL 83.A O no hydrogen 3.033 N/A GLU 145.A N ASN 167.A O no hydrogen 3.174 N/A GLY 147.A N MET 165.A O no hydrogen 2.878 N/A CYS 149.A N PHE 163.A O no hydrogen 2.776 N/A TYR 150.A N ARG 119.A O no hydrogen 2.716 N/A ARG 151.A N ASN 161.A O no hydrogen 3.271 N/A LYS 152.A N GLN 108.A O no hydrogen 2.640 N/A SER 154.A OG HIS 159.A ND1 no hydrogen 2.868 N/A GLN 158.A NE2 GLN 259.A O no hydrogen 3.280 N/A HIS 159.A ND1 SER 154.A OG no hydrogen 2.868 N/A HIS 159.A NE2 ARG 151.A O no hydrogen 2.900 N/A PHE 163.A N CYS 149.A O no hydrogen 3.064 N/A THR 164.A N GLU 249.A OE1 no hydrogen 3.324 N/A THR 164.A N GLU 249.A OE2 no hydrogen 2.441 N/A THR 164.A OG1 GLU 249.A OE1 no hydrogen 3.338 N/A MET 165.A N GLY 147.A O no hydrogen 2.926 N/A LEU 166.A N PHE 246.A O no hydrogen 2.906 N/A ASN 167.A N GLU 145.A O no hydrogen 3.025 N/A LEU 168.A N LEU 244.A O no hydrogen 3.086 N/A THR 169.A N ILE 143.A O no hydrogen 3.006 N/A THR 169.A OG1 ILE 143.A O no hydrogen 3.487 N/A GLU 170.A N VAL 242.A O no hydrogen 2.877 N/A LEU 171.A N ILE 141.A O no hydrogen 2.813 N/A GLY 172.A N PRO 240.A O no hydrogen 2.775 N/A THR 173.A OG1 GLU 170.A O no hydrogen 3.366 N/A THR 173.A OG1 GLU 170.A OE1 no hydrogen 2.430 N/A GLU 176.A N GLU 176.A OE2 no hydrogen 2.641 N/A GLU 177.A N PRO 174.A O no hydrogen 2.599 N/A ARG 178.A NE LEU 175.A O no hydrogen 2.977 N/A ARG 178.A NH1 GLY 227.A O no hydrogen 2.816 N/A GLN 180.A NE2 GLN 180.A O no hydrogen 3.063 N/A GLN 180.A NE2 ASP 184.A OD1 no hydrogen 2.757 N/A ARG 181.A N GLU 177.A O no hydrogen 2.765 N/A ARG 181.A NE GLU 170.A OE1 no hydrogen 2.678 N/A ARG 181.A NH1 ASP 184.A OD2 no hydrogen 3.093 N/A ARG 181.A NH2 GLU 177.A OE2 no hydrogen 2.697 N/A LEU 182.A N ARG 178.A O no hydrogen 2.876 N/A GLU 183.A N HIS 179.A O no hydrogen 3.152 N/A ASP 184.A N GLN 180.A O no hydrogen 2.804 N/A MET 185.A N ARG 181.A O no hydrogen 2.987 N/A ALA 186.A N LEU 182.A O no hydrogen 3.163 N/A ARG 187.A N GLU 183.A O no hydrogen 2.977 N/A TRP 188.A N ASP 184.A O no hydrogen 2.997 N/A VAL 189.A N MET 185.A O no hydrogen 2.838 N/A LEU 190.A N ALA 186.A O no hydrogen 2.881 N/A GLU 191.A N ARG 187.A O no hydrogen 2.855 N/A ALA 193.A N LEU 190.A O no hydrogen 3.077 N/A GLY 194.A N GLU 191.A O no hydrogen 3.359 N/A ILE 195.A N LEU 190.A O no hydrogen 2.939 N/A GLU 199.A N MET 215.A O no hydrogen 2.766 N/A VAL 201.A N ASP 213.A O no hydrogen 2.665 N/A GLU 203.A N THR 211.A O no hydrogen 3.182 N/A VAL 212.A N GLY 224.A O no hydrogen 2.938 N/A ASP 213.A N VAL 201.A O no hydrogen 2.834 N/A VAL 214.A N ALA 222.A O no hydrogen 2.985 N/A MET 215.A N GLU 199.A O no hydrogen 2.650 N/A LYS 216.A N LEU 219.A O no hydrogen 2.719 N/A LEU 219.A N LYS 216.A O no hydrogen 3.425 N/A LEU 221.A N VAL 214.A O no hydrogen 2.665 N/A ALA 222.A N VAL 214.A O no hydrogen 3.471 N/A SER 223.A N GLY 245.A O no hydrogen 3.048 N/A GLY 224.A N VAL 212.A O no hydrogen 2.855 N/A ALA 225.A N GLY 243.A O no hydrogen 2.847 N/A GLY 227.A N TRP 241.A O no hydrogen 2.868 N/A HIS 229.A N ASP 232.A OD2 no hydrogen 2.585 N/A LEU 231.A N HIS 229.A ND1 no hydrogen 2.894 N/A ASP 232.A N HIS 229.A O no hydrogen 3.039 N/A LYS 234.A NZ GLY 102.A O no hydrogen 3.374 N/A GLU 236.A N GLU 233.A O no hydrogen 2.947 N/A ILE 237.A N ASP 232.A O no hydrogen 2.887 N/A TRP 241.A N GLY 227.A O no hydrogen 3.460 N/A TRP 241.A NE1 ASP 232.A OD1 no hydrogen 2.901 N/A TRP 241.A NE1 ASP 232.A OD2 no hydrogen 3.112 N/A VAL 242.A N GLU 170.A O no hydrogen 3.012 N/A GLY 243.A N ALA 225.A O no hydrogen 2.995 N/A LEU 244.A N LEU 168.A O no hydrogen 3.027 N/A GLY 245.A N SER 223.A O no hydrogen 2.835 N/A PHE 246.A N LEU 166.A O no hydrogen 2.804 N/A LEU 248.A N THR 164.A O no hydrogen 2.775 N/A ARG 250.A NE GLU 220.A O no hydrogen 2.815 N/A LEU 251.A N GLY 247.A O no hydrogen 3.010 N/A LEU 252.A N LEU 248.A O no hydrogen 2.932 N/A MET 253.A N GLU 249.A O no hydrogen 2.854 N/A ILE 254.A N ARG 250.A O no hydrogen 3.010 N/A ARG 255.A N LEU 251.A O no hydrogen 2.912 N/A ARG 255.A NE GLU 256.A OE1 no hydrogen 2.592 N/A ARG 255.A NH1 ALA 193.A O no hydrogen 2.699 N/A ARG 255.A NH2 GLU 256.A OE1 no hydrogen 2.931 N/A GLU 256.A N LEU 252.A O no hydrogen 2.964 N/A THR 258.A N MET 253.A O no hydrogen 3.018 N/A GLN 259.A N ASN 19.A OD1 no hydrogen 3.101 N/A GLN 259.A NE2 ALA 20.A O no hydrogen 3.563 N/A VAL 261.A N GLN 158.A OE1 no hydrogen 2.695 N/A SER 263.A N HIS 260.A O no hydrogen 3.101 N/A ALA 265.A N GLN 262.A O no hydrogen 3.008 N/A ARG 266.A NE THR 148.A OG1 no hydrogen 3.191 N/A ARG 266.A NH2 THR 148.A OG1 no hydrogen 2.999 N/A SER 269.A N SER 267.A OG no hydrogen 2.991 N/A SER 269.A OG SER 267.A OG no hydrogen 3.331 N/A TYR 270.A N SER 267.A OG no hydrogen 3.001 N/A LEU 271.A N VAL 274.A O no hydrogen 2.957 N/A VAL 274.A N LEU 271.A O no hydrogen 2.936 N/A ARG 275.A NE GLU 17.A OE2 no hydrogen 3.178 N/A ARG 275.A NH1 SER 269.A O no hydrogen 3.117 N/A LEU 276.A N SER 269.A O no hydrogen 2.920 N/A ILE 278.A N LEU 276.A O no hydrogen 2.508 N/A