Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3shj_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A N PHE 1.A O no hydrogen 2.589 N/A TYR 5.A N ARG 2.A O no hydrogen 2.542 N/A THR 11.A OG1 ASP 8.A OD1 no hydrogen 2.951 N/A SER 13.A N ARG 17.A O no hydrogen 2.916 N/A SER 13.A OG THR 15.A OG1 no hydrogen 3.145 N/A THR 15.A OG1 SER 13.A OG no hydrogen 3.145 N/A GLY 16.A N SER 13.A O no hydrogen 2.983 N/A ARG 17.A N SER 13.A OG no hydrogen 2.894 N/A ARG 17.A NE GLU 22.A OE2 no hydrogen 2.966 N/A ARG 17.A NH2 GLU 22.A OE1 no hydrogen 2.544 N/A ARG 17.A NH2 GLU 22.A OE2 no hydrogen 3.525 N/A GLN 20.A NE2 ASP 6.A O no hydrogen 2.770 N/A VAL 21.A N LEU 18.A O no hydrogen 2.807 N/A GLU 22.A N LEU 18.A O no hydrogen 2.974 N/A TYR 23.A N PHE 19.A O no hydrogen 2.534 N/A TYR 23.A OH ASP 6.A OD1 no hydrogen 2.444 N/A ALA 24.A N GLN 20.A O no hydrogen 3.074 N/A LEU 25.A N VAL 21.A O no hydrogen 2.830 N/A GLU 26.A N GLU 22.A O no hydrogen 3.037 N/A ALA 27.A N TYR 23.A O no hydrogen 3.290 N/A ILE 28.A N LEU 25.A O no hydrogen 3.021 N/A LYS 29.A N LEU 25.A O no hydrogen 3.493 N/A LYS 29.A NZ GLU 26.A OE2 no hydrogen 3.445 N/A GLN 30.A N GLU 26.A O no hydrogen 3.155 N/A GLY 31.A N ILE 28.A O no hydrogen 2.784 N/A SER 32.A OG VAL 33.A O no hydrogen 3.513 N/A SER 32.A OG LEU 48.A O no hydrogen 2.339 N/A THR 34.A N ILE 160.A O no hydrogen 3.355 N/A THR 34.A OG1 VAL 46.A O no hydrogen 3.073 N/A THR 34.A OG1 SER 72.A OG no hydrogen 3.015 N/A VAL 35.A N VAL 46.A O no hydrogen 2.498 N/A GLY 36.A N THR 158.A O no hydrogen 2.612 N/A LEU 37.A N VAL 44.A O no hydrogen 3.033 N/A ARG 38.A N TYR 156.A O no hydrogen 2.820 N/A SER 39.A N HIS 42.A O no hydrogen 2.823 N/A SER 39.A OG THR 41.A OG1 no hydrogen 3.307 N/A SER 39.A OG HIS 42.A O no hydrogen 3.566 N/A SER 39.A OG ASP 182.A OD1 no hydrogen 3.515 N/A SER 39.A OG ILE 181F.A O no hydrogen 3.251 N/A ASN 40.A N ASP 182.A OD1 no hydrogen 2.721 N/A THR 41.A N SER 39.A OG no hydrogen 3.029 N/A THR 41.A OG1 SER 39.A OG no hydrogen 3.307 N/A THR 41.A OG1 HIS 42.A ND1 no hydrogen 2.928 N/A HIS 42.A N SER 39.A OG no hydrogen 3.006 N/A HIS 42.A ND1 THR 41.A OG1 no hydrogen 2.928 N/A ALA 43.A N VAL 215.A O no hydrogen 2.879 N/A VAL 44.A N LEU 37.A O no hydrogen 2.711 N/A LEU 45.A N ALA 213.A O no hydrogen 2.890 N/A VAL 46.A N VAL 35.A O no hydrogen 2.732 N/A ALA 47.A N SER 211.A O no hydrogen 2.724 N/A LEU 48.A N VAL 33.A O no hydrogen 3.050 N/A LYS 49.A N ASN 209E.A O no hydrogen 2.940 N/A LYS 49.A NZ ASP 225.A OD1 no hydrogen 3.512 N/A ARG 50.A NH1 GLN 30.A O no hydrogen 3.344 N/A ARG 50.A NH2 GLN 30.A O no hydrogen 2.997 N/A ASN 51.A ND2 GLU 54.A OE1 no hydrogen 3.388 N/A ALA 52.A N SER 56.A OG no hydrogen 2.859 N/A SER 56.A OG ASP 53.A O no hydrogen 3.529 N/A SER 56.A OG SER 57.A O no hydrogen 3.071 N/A GLN 59.A N ARG 50.A O no hydrogen 3.120 N/A LYS 61.A NZ SER 32.A O no hydrogen 2.616 N/A LYS 61.A NZ LEU 73.A O no hydrogen 3.183 N/A ILE 63.A N LEU 71.A O no hydrogen 2.908 N/A LYS 64.A NZ GLU 67.A OE2 no hydrogen 2.757 N/A CYS 65.A N MET 69.A O no hydrogen 3.072 N/A ASP 66.A N MET 69.A O no hydrogen 3.108 N/A GLU 67.A N ASP 66.A OD2 no hydrogen 2.873 N/A GLY 70.A N ILE 134.A O no hydrogen 3.052 N/A LEU 71.A N ILE 63.A O no hydrogen 2.960 N/A SER 72.A N LEU 132.A O no hydrogen 2.819 N/A SER 72.A OG THR 34.A OG1 no hydrogen 3.015 N/A LEU 73.A N LYS 61.A O no hydrogen 2.828 N/A ALA 74.A N GLY 130.A O no hydrogen 2.981 N/A LEU 76.A N GLY 128.A O no hydrogen 2.802 N/A ALA 80.A N LEU 76.A O no hydrogen 3.316 N/A ARG 81.A N ALA 77.A O no hydrogen 3.051 N/A VAL 82.A N PRO 78.A O no hydrogen 2.879 N/A LEU 83.A N ASP 79.A O no hydrogen 2.843 N/A SER 84.A N ALA 80.A O no hydrogen 2.668 N/A SER 84.A OG ALA 80.A O no hydrogen 2.649 N/A SER 84.A OG ARG 81.A O no hydrogen 2.991 N/A ASN 85.A N ARG 81.A O no hydrogen 2.825 N/A TYR 86.A N VAL 82.A O no hydrogen 2.965 N/A LEU 87.A N LEU 83.A O no hydrogen 2.851 N/A ARG 88.A N SER 84.A O no hydrogen 2.846 N/A ARG 88.A NE LYS 64.A O no hydrogen 2.853 N/A ARG 88.A NH2 LYS 64.A O no hydrogen 2.979 N/A GLN 89.A N ASN 85.A O no hydrogen 3.024 N/A GLN 90.A N TYR 86.A O no hydrogen 3.160 N/A CYS 91.A N LEU 87.A O no hydrogen 3.033 N/A CYS 91.A SG LEU 87.A O no hydrogen 3.380 N/A ASN 92.A N ARG 88.A O no hydrogen 2.896 N/A TYR 93.A N GLN 89.A O no hydrogen 2.701 N/A SER 94.A N GLN 90.A O no hydrogen 3.188 N/A SER 94.A OG ARG 100.A O no hydrogen 2.551 N/A SER 95.A N CYS 91.A O no hydrogen 3.022 N/A SER 95.A OG CYS 91.A O no hydrogen 3.330 N/A LEU 96.A N ASN 92.A O no hydrogen 2.820 N/A VAL 97.A N TYR 93.A O no hydrogen 2.922 N/A PHE 98.A N SER 94.A O no hydrogen 2.978 N/A ASN 99.A N SER 95.A O no hydrogen 2.657 N/A ARG 100.A N SER 94.A O no hydrogen 3.350 N/A VAL 104.A N ASP 137.A OD1 no hydrogen 2.929 N/A ALA 107.A N ALA 103.A O no hydrogen 2.882 N/A GLY 108.A N VAL 104.A O no hydrogen 3.104 N/A HIS 109.A N GLU 105.A O no hydrogen 3.297 N/A LEU 110.A N ARG 106.A O no hydrogen 3.099 N/A LEU 111.A N ALA 107.A O no hydrogen 3.038 N/A CYS 112.A N GLY 108.A O no hydrogen 2.862 N/A CYS 112.A SG ASP 113.A OD1 no hydrogen 3.868 N/A CYS 112.A SG GLY 150.A O no hydrogen 3.086 N/A ASP 113.A N HIS 109.A O no hydrogen 2.911 N/A LYS 114.A N LEU 110.A O no hydrogen 2.877 N/A LYS 114.A NZ TYR 127.A OH no hydrogen 3.112 N/A ALA 115.A N LEU 111.A O no hydrogen 3.079 N/A GLN 116.A N CYS 112.A O no hydrogen 2.930 N/A ASN 118.A N ALA 115.A O no hydrogen 3.044 N/A ASN 118.A ND2 LYS 114.A O no hydrogen 3.387 N/A THR 119.A N GLN 116.A O no hydrogen 2.952 N/A THR 119.A OG1 GLN 116.A O no hydrogen 2.801 N/A GLN 120.A NE2 GLN 116.A OE1 no hydrogen 2.549 N/A ARG 125.A NH1 ASP 79.A OD1 no hydrogen 2.991 N/A ARG 125.A NH1 PRO 126.A O no hydrogen 2.900 N/A ARG 125.A NH2 ASP 79.A OD1 no hydrogen 3.386 N/A ARG 125.A NH2 ASP 79.A OD2 no hydrogen 2.789 N/A GLY 128.A N ASP 79.A OD1 no hydrogen 2.676 N/A GLY 130.A N ALA 74.A O no hydrogen 2.970 N/A LEU 131.A N PHE 146.A O no hydrogen 3.117 N/A LEU 132.A N SER 72.A O no hydrogen 2.889 N/A ILE 133.A N LEU 144.A O no hydrogen 2.847 N/A ILE 134.A N GLY 70.A O no hydrogen 2.984 N/A GLY 135.A N HIS 142.A O no hydrogen 3.115 N/A TYR 136.A N HIS 68.A O no hydrogen 2.997 N/A ASP 137.A N GLY 140.A O no hydrogen 3.024 N/A SER 139.A N ASP 137.A OD2 no hydrogen 2.615 N/A SER 139.A OG ASP 137.A OD2 no hydrogen 3.074 N/A SER 139.A OG HIS 142.A NE2 no hydrogen 2.802 N/A GLY 140.A N ASP 137.A O no hydrogen 3.308 N/A HIS 142.A ND1 GLU 154.A OE1 no hydrogen 2.607 N/A HIS 142.A NE2 SER 139.A OG no hydrogen 2.802 N/A LEU 144.A N ILE 133.A O no hydrogen 2.584 N/A GLU 145.A N THR 153.A O no hydrogen 2.864 N/A PHE 146.A N LEU 131.A O no hydrogen 2.682 N/A GLN 147.A N ASN 151.A O no hydrogen 2.983 N/A GLN 147.A NE2 GLU 145.A OE2 no hydrogen 2.976 N/A SER 149.A OG GLN 147.A O no hydrogen 3.557 N/A GLY 150.A N GLN 147.A O no hydrogen 2.507 N/A ASN 151.A N SER 149.A OG no hydrogen 3.215 N/A ASN 151.A ND2 SER 149.A OG no hydrogen 2.648 N/A THR 153.A N GLU 145.A O no hydrogen 3.016 N/A LEU 155.A N LEU 143.A O no hydrogen 2.980 N/A THR 158.A N GLY 36.A O no hydrogen 2.595 N/A THR 158.A OG1 GLU 145.A OE1 no hydrogen 2.777 N/A THR 158.A OG1 ALA 159.A O no hydrogen 3.407 N/A ILE 160.A N THR 34.A O no hydrogen 3.238 N/A ALA 162.A N GLY 31.A O no hydrogen 2.980 N/A SER 164.A N GLY 161.A O no hydrogen 3.459 N/A SER 164.A OG GLY 161.A O no hydrogen 2.732 N/A GLY 166.A N ARG 163.A O no hydrogen 2.811 N/A ALA 167.A N SER 199.A OG no hydrogen 2.951 N/A LYS 168.A N SER 164.A O no hydrogen 3.017 N/A THR 169.A N GLN 165.A O no hydrogen 2.979 N/A THR 169.A N GLY 166.A O no hydrogen 3.208 N/A THR 169.A OG1 GLN 165.A O no hydrogen 3.116 N/A THR 169.A OG1 GLN 165.A OE1 no hydrogen 3.522 N/A TYR 170.A N GLY 166.A O no hydrogen 3.100 N/A TYR 170.A OH GLU 194.A OE1 no hydrogen 2.427 N/A LEU 171.A N ALA 167.A O no hydrogen 2.753 N/A GLU 172.A N LYS 168.A O no hydrogen 3.096 N/A ARG 173.A N THR 169.A O no hydrogen 2.946 N/A ARG 173.A N TYR 170.A O no hydrogen 3.093 N/A THR 174.A N TYR 170.A O no hydrogen 2.763 N/A THR 174.A OG1 TYR 170.A O no hydrogen 2.736 N/A GLY 183.A N THR 41.A OG1 no hydrogen 2.968 N/A LEU 188.A N ASN 184.A O no hydrogen 3.446 N/A ILE 189.A N PRO 185.A O no hydrogen 3.000 N/A LYS 190.A N ASP 186.A O no hydrogen 2.940 N/A ALA 191.A N GLU 187.A O no hydrogen 2.836 N/A GLY 192.A N ILE 189.A O no hydrogen 2.763 N/A VAL 193.A N ILE 189.A O no hydrogen 2.719 N/A GLU 194.A N LYS 190.A O no hydrogen 2.925 N/A ALA 195.A N GLY 192.A O no hydrogen 2.952 N/A ILE 196.A N GLY 192.A O no hydrogen 3.075 N/A SER 197.A N VAL 193.A O no hydrogen 3.006 N/A SER 197.A OG VAL 193.A O no hydrogen 2.982 N/A SER 197.A OG GLU 194.A O no hydrogen 3.112 N/A GLN 198.A N ALA 195.A O no hydrogen 3.191 N/A GLN 198.A NE2 GLU 194.A O no hydrogen 2.864 N/A SER 199.A N ILE 196.A O no hydrogen 2.899 N/A SER 199.A OG ARG 163.A O no hydrogen 2.653 N/A LEU 200.A N SER 197.A O no hydrogen 3.383 N/A LEU 210.A N THR 206B.A O no hydrogen 3.168 N/A SER 211.A N ALA 47.A O no hydrogen 3.003 N/A SER 211.A OG ASP 225.A OD1 no hydrogen 3.062 N/A ILE 212.A N TYR 224.A O no hydrogen 3.060 N/A ALA 213.A N LEU 45.A O no hydrogen 2.858 N/A ILE 214.A N THR 222.A O no hydrogen 2.920 N/A VAL 215.A N ALA 43.A O no hydrogen 3.158 N/A GLY 216.A N THR 219.A O no hydrogen 2.923 N/A LYS 217.A N THR 41.A O no hydrogen 3.002 N/A THR 219.A N GLY 216.A O no hydrogen 2.547 N/A PHE 221.A N GLU 67.A O no hydrogen 2.996 N/A THR 222.A N ILE 214.A O no hydrogen 2.832 N/A THR 222.A OG1 PRO 220.A O no hydrogen 3.401 N/A TYR 224.A N ILE 212.A O no hydrogen 2.579 N/A ALA 228.A N ASP 225.A O no hydrogen 3.151 N/A VAL 229.A N GLY 226.A O no hydrogen 2.519 N/A ALA 230.A N GLU 227.A O no hydrogen 2.840 N/A LYS 231.A NZ ALA 228.A O no hydrogen 3.020 N/A TYR 232.A N VAL 229.A O no hydrogen 3.029 N/A ILE 233.A N ALA 230.A O no hydrogen 2.926 N/A THR 177B.A N THR 174.A O no hydrogen 3.019 N/A THR 206B.A OG1 ASP 208D.A OD1 no hydrogen 3.181 N/A PHE 178C.A N THR 174.A O no hydrogen 3.123 N/A ILE 179D.A N LEU 175.A O no hydrogen 3.173 N/A LYS 180E.A N THR 177B.A O no hydrogen 3.281 N/A ASN 209E.A N THR 206B.A O no hydrogen 3.431 N/A ILE 181F.A N PHE 178C.A O no hydrogen 2.657 N/A