Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3shj_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N SER 2.A O no hydrogen 2.762 N/A ASP 6.A N ARG 3.A O no hydrogen 3.285 N/A ARG 8.A N ASP 6.A OD2 no hydrogen 2.855 N/A THR 9.A OG1 LEU 127.A O no hydrogen 2.573 N/A SER 13.A N ARG 17.A O no hydrogen 2.674 N/A SER 13.A OG GLU 15.A OE2 no hydrogen 3.247 N/A SER 13.A OG ARG 17.A O no hydrogen 3.564 N/A GLU 15.A N SER 13.A OG no hydrogen 3.220 N/A GLY 16.A N SER 13.A O no hydrogen 2.641 N/A ARG 17.A N SER 13.A OG no hydrogen 2.974 N/A ARG 17.A NH1 GLU 22.A OE1 no hydrogen 3.207 N/A GLU 22.A N LEU 18.A O no hydrogen 2.935 N/A TYR 23.A N TYR 19.A O no hydrogen 2.820 N/A ALA 24.A N GLN 20.A O no hydrogen 2.728 N/A LEU 25.A N VAL 21.A O no hydrogen 2.808 N/A GLU 26.A N GLU 22.A O no hydrogen 2.969 N/A SER 27.A N TYR 23.A O no hydrogen 2.927 N/A ILE 28.A N ALA 24.A O no hydrogen 2.863 N/A SER 29.A N LEU 25.A O no hydrogen 2.930 N/A SER 29.A OG GLU 26.A O no hydrogen 2.658 N/A HIS 30.A N SER 27.A O no hydrogen 3.080 N/A ALA 31.A N ILE 28.A O no hydrogen 2.691 N/A THR 33.A OG1 ALA 166.A O no hydrogen 2.833 N/A ALA 34.A N VAL 164.A O no hydrogen 2.968 N/A ILE 35.A N ALA 46.A O no hydrogen 2.552 N/A GLY 36.A N ILE 162.A O no hydrogen 2.789 N/A ILE 37.A N VAL 44.A O no hydrogen 2.960 N/A MET 38.A N LYS 160.A O no hydrogen 2.641 N/A ALA 39.A N GLY 42.A O no hydrogen 2.734 N/A SER 40.A N MET 183.A O no hydrogen 3.377 N/A SER 40.A OG MET 183.A O no hydrogen 2.877 N/A GLY 42.A N ALA 39.A O no hydrogen 3.309 N/A ILE 43.A N ILE 215.A O no hydrogen 3.213 N/A VAL 44.A N ILE 37.A O no hydrogen 2.833 N/A LEU 45.A N ALA 213.A O no hydrogen 2.727 N/A ALA 46.A N ILE 35.A O no hydrogen 2.821 N/A ALA 47.A N GLU 211.A O no hydrogen 2.944 N/A GLU 48.A N THR 33.A O no hydrogen 2.807 N/A ARG 49.A N ARG 209.A O no hydrogen 2.871 N/A ARG 49.A NH1 GLU 63.A OE2 no hydrogen 3.521 N/A ARG 49.A NH1 SER 61A.A OG no hydrogen 2.567 N/A LEU 55.A N SER 53.A OG no hydrogen 3.170 N/A LEU 56.A N SER 53.A O no hydrogen 3.240 N/A THR 62.A OG1 SER 61A.A O no hydrogen 2.545 N/A GLU 63.A N GLU 211.A OE1 no hydrogen 2.836 N/A LYS 64.A N GLU 211.A OE2 no hydrogen 3.226 N/A LYS 64.A NZ GLY 32.A O no hydrogen 3.179 N/A LYS 64.A NZ VAL 76.A O no hydrogen 2.834 N/A LEU 65.A N GLU 211.A OE2 no hydrogen 2.871 N/A TYR 66.A N VAL 74.A O no hydrogen 3.025 N/A LEU 68.A N ILE 72.A O no hydrogen 2.949 N/A ASN 69.A N ILE 72.A O no hydrogen 3.000 N/A ALA 73.A N ALA 137.A O no hydrogen 2.878 N/A VAL 74.A N TYR 66.A O no hydrogen 2.912 N/A ALA 75.A N ILE 135.A O no hydrogen 2.867 N/A VAL 76.A N LYS 64.A O no hydrogen 2.653 N/A ALA 77.A N SER 133.A O no hydrogen 3.082 N/A LEU 79.A N GLY 131.A O no hydrogen 2.767 N/A ALA 83.A N LEU 79.A O no hydrogen 2.848 N/A GLU 84.A N THR 80.A O no hydrogen 2.915 N/A ILE 85.A N ALA 81.A O no hydrogen 3.222 N/A LEU 86.A N ASP 82.A O no hydrogen 3.219 N/A ILE 87.A N ALA 83.A O no hydrogen 2.658 N/A ASN 88.A N GLU 84.A O no hydrogen 2.838 N/A THR 89.A N ILE 85.A O no hydrogen 3.352 N/A THR 89.A OG1 LEU 86.A O no hydrogen 3.192 N/A ALA 90.A N LEU 86.A O no hydrogen 2.840 N/A ARG 91.A N ILE 87.A O no hydrogen 2.859 N/A ARG 91.A NE LYS 67.A O no hydrogen 2.948 N/A ARG 91.A NH2 LYS 67.A O no hydrogen 3.118 N/A ILE 92.A N ASN 88.A O no hydrogen 2.928 N/A HIS 93.A N THR 89.A O no hydrogen 3.005 N/A ALA 94.A N ALA 90.A O no hydrogen 3.061 N/A GLN 95.A N ARG 91.A O no hydrogen 3.211 N/A ASN 96.A N ILE 92.A O no hydrogen 2.926 N/A TYR 97.A N HIS 93.A O no hydrogen 3.049 N/A LEU 98.A N ALA 94.A O no hydrogen 2.994 N/A LYS 99.A N GLN 95.A O no hydrogen 2.812 N/A THR 100.A N ASN 96.A O no hydrogen 2.798 N/A THR 100.A OG1 ASN 96.A O no hydrogen 3.217 N/A TYR 101.A N TYR 97.A O no hydrogen 2.849 N/A ASN 102.A N LEU 98.A O no hydrogen 2.595 N/A VAL 107.A N ASP 140.A OD2 no hydrogen 2.877 N/A LEU 110.A N PRO 106.A O no hydrogen 3.308 N/A VAL 111.A N VAL 107.A O no hydrogen 2.991 N/A ARG 112.A N GLU 108.A O no hydrogen 2.674 N/A ARG 113.A N ILE 109.A O no hydrogen 3.168 N/A LEU 114.A N LEU 110.A O no hydrogen 3.126 N/A SER 115.A N VAL 111.A O no hydrogen 2.903 N/A SER 115.A OG VAL 111.A O no hydrogen 2.967 N/A ASP 116.A N ARG 112.A O no hydrogen 2.780 N/A ILE 117.A N ARG 113.A O no hydrogen 3.094 N/A LYS 118.A N LEU 114.A O no hydrogen 3.267 N/A LYS 118.A NZ SER 150.A OG no hydrogen 2.647 N/A GLN 119.A N SER 115.A O no hydrogen 2.904 N/A GLY 120.A N ASP 116.A O no hydrogen 2.865 N/A THR 122.A N GLN 119.A O no hydrogen 2.854 N/A GLN 123.A N GLY 120.A O no hydrogen 2.868 N/A HIS 124.A N GLY 120.A O no hydrogen 3.155 N/A ARG 128.A NH1 ASP 82.A OD1 no hydrogen 2.896 N/A ARG 128.A NH1 PRO 129.A O no hydrogen 2.824 N/A ARG 128.A NH2 ASP 82.A OD1 no hydrogen 3.155 N/A ARG 128.A NH2 ASP 82.A OD2 no hydrogen 3.105 N/A GLY 131.A N ASP 82.A OD1 no hydrogen 3.144 N/A SER 133.A N ALA 77.A O no hydrogen 2.916 N/A PHE 134.A N SER 150.A O no hydrogen 2.716 N/A ILE 135.A N ALA 75.A O no hydrogen 3.036 N/A TYR 136.A N TYR 148.A O no hydrogen 2.702 N/A TYR 136.A OH SER 150.A OG no hydrogen 2.733 N/A ALA 137.A N ALA 73.A O no hydrogen 2.788 N/A GLY 138.A N GLN 146.A O no hydrogen 3.141 N/A TYR 139.A N LYS 71.A O no hydrogen 3.040 N/A ASP 140.A N GLY 144.A O no hydrogen 3.327 N/A ARG 142.A N ASP 140.A OD1 no hydrogen 2.920 N/A GLY 144.A N ASP 140.A O no hydrogen 2.747 N/A GLN 146.A N GLY 138.A O no hydrogen 2.837 N/A GLN 146.A NE2 ASP 140.A OD2 no hydrogen 2.512 N/A GLN 146.A NE2 GLY 144.A O no hydrogen 2.932 N/A TYR 148.A N TYR 136.A O no hydrogen 2.813 N/A TYR 148.A OH GLN 146.A OE1 no hydrogen 2.969 N/A THR 149.A N THR 157.A O no hydrogen 2.924 N/A THR 149.A OG1 PHE 134.A O no hydrogen 3.105 N/A SER 150.A N PHE 134.A O no hydrogen 2.918 N/A SER 150.A OG TYR 136.A OH no hydrogen 2.733 N/A ASN 151.A N ASN 155.A O no hydrogen 3.397 N/A SER 153.A N ASN 151.A OD1 no hydrogen 2.705 N/A SER 153.A OG ASN 151.A OD1 no hydrogen 2.440 N/A GLY 154.A N ASN 151.A O no hydrogen 3.019 N/A ASN 155.A N SER 153.A OG no hydrogen 3.236 N/A TYR 156.A OH GLU 108.A OE2 no hydrogen 3.020 N/A THR 157.A N THR 149.A O no hydrogen 3.059 N/A TRP 159.A N LEU 147.A O no hydrogen 2.825 N/A LYS 160.A NZ ASP 181.A OD2 no hydrogen 3.537 N/A ILE 162.A N GLY 36.A O no hydrogen 2.731 N/A SER 163.A N GLN 172.A OE1 no hydrogen 3.273 N/A SER 163.A OG GLN 172.A OE1 no hydrogen 3.256 N/A VAL 164.A N ALA 34.A O no hydrogen 2.930 N/A ALA 166.A N ALA 31.A O no hydrogen 2.887 N/A ASN 167.A ND2 ASP 201.A OD1 no hydrogen 3.488 N/A ASN 167.A ND2 ASP 201.A OD2 no hydrogen 3.410 N/A ALA 171.A N ASN 167.A O no hydrogen 3.202 N/A GLN 172.A N THR 168.A O no hydrogen 2.658 N/A GLN 172.A NE2 ALA 161.A O no hydrogen 3.267 N/A THR 173.A N SER 169.A O no hydrogen 3.150 N/A THR 173.A OG1 SER 169.A O no hydrogen 3.145 N/A LEU 174.A N ALA 170.A O no hydrogen 3.056 N/A LEU 175.A N ALA 171.A O no hydrogen 3.010 N/A GLN 176.A N GLN 172.A O no hydrogen 2.868 N/A ASP 178.A N LEU 174.A O no hydrogen 3.287 N/A ASP 178.A N LEU 175.A O no hydrogen 3.304 N/A TYR 179.A OH MET 38.A O no hydrogen 2.778 N/A MET 183.A N LYS 180.A O no hydrogen 2.845 N/A LYS 184.A N ASP 187.A OD1 no hydrogen 3.214 N/A VAL 185.A N ASP 41.A OD2 no hydrogen 2.877 N/A ASP 187.A N LYS 184.A O no hydrogen 2.443 N/A ALA 188.A N LYS 184.A O no hydrogen 3.062 N/A ILE 189.A N VAL 185.A O no hydrogen 2.824 N/A GLU 190.A N ASP 186.A O no hydrogen 3.389 N/A LEU 191.A N ASP 187.A O no hydrogen 2.859 N/A ALA 192.A N ALA 188.A O no hydrogen 2.717 N/A LEU 193.A N ILE 189.A O no hydrogen 3.183 N/A LYS 194.A N GLU 190.A O no hydrogen 2.930 N/A LYS 194.A NZ THR 241.A O no hydrogen 3.088 N/A THR 195.A N LEU 191.A O no hydrogen 2.864 N/A THR 195.A OG1 LEU 191.A O no hydrogen 2.873 N/A LEU 196.A N ALA 192.A O no hydrogen 3.033 N/A SER 197.A N LEU 193.A O no hydrogen 2.866 N/A LYS 198.A N LYS 194.A O no hydrogen 3.034 N/A LYS 198.A N THR 195.A O no hydrogen 3.082 N/A THR 199.A N LEU 196.A O no hydrogen 3.035 N/A THR 199.A OG1 THR 195.A O no hydrogen 3.493 N/A THR 199.A OG1 LEU 196.A O no hydrogen 3.170 N/A THR 200.A N LEU 196.A O no hydrogen 2.894 N/A THR 200.A OG1 GLU 48.A OE1 no hydrogen 2.878 N/A THR 200.A OG1 LEU 196.A O no hydrogen 2.628 N/A THR 206.A OG1 ASP 208.A OD1 no hydrogen 2.518 N/A ARG 209.A N THR 206.A O no hydrogen 2.950 N/A ARG 209.A NH2 GLU 48.A OE2 no hydrogen 2.727 N/A LEU 210.A N TYR 207.A O no hydrogen 3.039 N/A GLU 211.A N ALA 47.A O no hydrogen 3.008 N/A ALA 213.A N LEU 45.A O no hydrogen 2.896 N/A THR 214.A N LYS 227.A O no hydrogen 3.088 N/A ILE 215.A N ILE 43.A O no hydrogen 3.009 N/A ARG 216.A NH1 ASP 186.A OD1 no hydrogen 2.983 N/A TYR 225.A N ARG 216.A O no hydrogen 2.644 N/A LYS 227.A N THR 214.A O no hydrogen 2.864 N/A LYS 227.A NZ GLU 233.A OE2 no hydrogen 2.469 N/A PHE 229.A N PHE 212.A O no hydrogen 2.748 N/A LYS 230.A N GLU 233.A OE1 no hydrogen 2.813 N/A ILE 234.A N LYS 230.A O no hydrogen 2.968 N/A ILE 234.A N PRO 231.A O no hydrogen 3.197 N/A LYS 235.A N PRO 231.A O no hydrogen 3.030 N/A ASP 236.A N GLN 232.A O no hydrogen 3.106 N/A ILE 237.A N GLU 233.A O no hydrogen 3.404 N/A LEU 238.A N ILE 234.A O no hydrogen 2.924 N/A VAL 239.A N LYS 235.A O no hydrogen 3.296 N/A VAL 239.A N ASP 236.A O no hydrogen 2.604 N/A LYS 240.A N ASP 236.A O no hydrogen 3.009 N/A THR 241.A N ILE 237.A O no hydrogen 3.284 N/A THR 241.A OG1 ILE 237.A O no hydrogen 2.749 N/A THR 241.A OG1 LEU 238.A O no hydrogen 3.288 N/A GLY 242.A N VAL 239.A O no hydrogen 2.637 N/A ILE 243.A N LEU 238.A O no hydrogen 3.036 N/A TYR 143A.A N ASP 140.A OD1 no hydrogen 2.934 N/A LYS 217A.A NZ TYR 139.A OH no hydrogen 2.678 N/A ASP 221C.A N ALA 219.A O no hydrogen 2.791 N/A GLY 222D.A N GLY 218B.A O no hydrogen 3.406 N/A