Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3shj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N ASP 3.A OD2 no hydrogen 2.748 N/A SER 8.A OG GLN 123.A O no hydrogen 2.817 N/A SER 13.A N LYS 17.A O no hydrogen 2.852 N/A SER 13.A OG SER 15.A OG no hydrogen 3.260 N/A SER 13.A OG LYS 17.A O no hydrogen 3.157 N/A SER 15.A OG SER 13.A OG no hydrogen 3.260 N/A GLY 16.A N SER 13.A O no hydrogen 2.598 N/A ILE 21.A N LEU 18.A O no hydrogen 2.856 N/A ASP 22.A N LEU 18.A O no hydrogen 3.090 N/A TYR 23.A N GLY 19.A O no hydrogen 2.732 N/A ALA 24.A N GLN 20.A O no hydrogen 2.926 N/A LEU 25.A N ILE 21.A O no hydrogen 2.920 N/A THR 26.A N ASP 22.A O no hydrogen 3.006 N/A THR 26.A OG1 ASP 22.A O no hydrogen 3.443 N/A ALA 27.A N TYR 23.A O no hydrogen 2.901 N/A VAL 28.A N ALA 24.A O no hydrogen 3.040 N/A LYS 29.A N LEU 25.A O no hydrogen 2.871 N/A LYS 29.A NZ GLY 165.A O no hydrogen 2.788 N/A LYS 29.A NZ LYS 166.A O no hydrogen 2.952 N/A LYS 29.A NZ SER 168.A OG no hydrogen 2.826 N/A GLN 30.A N ALA 27.A O no hydrogen 3.331 N/A GLY 31.A N VAL 28.A O no hydrogen 2.897 N/A SER 34.A N ILE 164.A O no hydrogen 3.091 N/A SER 34.A OG TYR 75.A O no hydrogen 2.963 N/A SER 34.A OG SER 76.A OG no hydrogen 2.630 N/A LEU 35.A N ALA 46.A O no hydrogen 2.797 N/A GLY 36.A N THR 162.A O no hydrogen 2.926 N/A ILE 37.A N VAL 44.A O no hydrogen 2.766 N/A LYS 38.A N LYS 160.A O no hydrogen 2.846 N/A ALA 39.A N GLY 42.A O no hydrogen 2.625 N/A THR 40.A N LEU 183.A O no hydrogen 2.863 N/A THR 40.A OG1 ASN 41.A OD1 no hydrogen 3.555 N/A THR 40.A OG1 LEU 183.A O no hydrogen 3.099 N/A ASN 41.A ND2 GLU 184.A OE2 no hydrogen 2.963 N/A VAL 43.A N ILE 214.A O no hydrogen 2.953 N/A VAL 44.A N ILE 37.A O no hydrogen 2.738 N/A ILE 45.A N ALA 212.A O no hydrogen 2.983 N/A ALA 46.A N LEU 35.A O no hydrogen 2.962 N/A THR 47.A N GLU 210.A O no hydrogen 3.104 N/A THR 47.A OG1 THR 33.A O no hydrogen 2.996 N/A LYS 49.A N THR 208A.A O no hydrogen 2.671 N/A SER 51.A N LYS 49.A O no hydrogen 2.599 N/A SER 51.A OG SER 53.A O no hydrogen 2.602 N/A SER 52.A OG LYS 50.A O no hydrogen 3.486 N/A LEU 55.A N SER 53.A OG no hydrogen 3.195 N/A ALA 56.A N SER 53.A O no hydrogen 3.150 N/A THR 60.A OG1 MET 57.A O no hydrogen 2.709 N/A LEU 61.A N GLU 59.A O no hydrogen 2.471 N/A SER 62.A OG GLU 210.A OE1 no hydrogen 3.439 N/A LYS 63.A N GLU 210.A OE2 no hydrogen 2.863 N/A LYS 63.A NZ THR 47.A OG1 no hydrogen 2.856 N/A LYS 63.A NZ GLU 48.A O no hydrogen 2.848 N/A VAL 64.A N GLU 210.A OE1 no hydrogen 2.889 N/A SER 65.A N ALA 73.A O no hydrogen 2.920 N/A SER 65.A OG TYR 82.A OH no hydrogen 3.243 N/A LEU 67.A N ILE 71.A O no hydrogen 2.767 N/A THR 68.A N ILE 71.A O no hydrogen 3.295 N/A ASP 70.A N THR 68.A OG1 no hydrogen 3.157 N/A ILE 71.A N THR 68.A O no hydrogen 2.978 N/A GLY 72.A N ALA 137.A O no hydrogen 2.875 N/A ALA 73.A N SER 65.A O no hydrogen 2.743 N/A VAL 74.A N LEU 135.A O no hydrogen 3.063 N/A SER 76.A N SER 133.A O no hydrogen 3.230 N/A SER 76.A OG VAL 32.A O no hydrogen 3.043 N/A SER 76.A OG SER 34.A OG no hydrogen 2.630 N/A SER 76.A OG ILE 164.A O no hydrogen 3.278 N/A MET 78.A N GLY 131.A O no hydrogen 2.934 N/A TYR 82.A N MET 78.A O no hydrogen 3.081 N/A TYR 82.A OH SER 65.A OG no hydrogen 3.243 N/A TYR 82.A OH ALA 73.A O no hydrogen 2.951 N/A ARG 83.A N GLY 79.A O no hydrogen 2.883 N/A VAL 84.A N PRO 80.A O no hydrogen 3.260 N/A LEU 85.A N ASP 81.A O no hydrogen 3.067 N/A VAL 86.A N TYR 82.A O no hydrogen 2.811 N/A ASP 87.A N ARG 83.A O no hydrogen 3.123 N/A LYS 88.A N VAL 84.A O no hydrogen 2.924 N/A SER 89.A N LEU 85.A O no hydrogen 2.743 N/A SER 89.A OG LEU 85.A O no hydrogen 3.035 N/A ARG 90.A N VAL 86.A O no hydrogen 2.823 N/A ARG 90.A NE LEU 66.A O no hydrogen 2.781 N/A ARG 90.A NH2 LEU 66.A O no hydrogen 3.274 N/A LYS 91.A N ASP 87.A O no hydrogen 3.003 N/A VAL 92.A N LYS 88.A O no hydrogen 2.874 N/A ALA 93.A N SER 89.A O no hydrogen 3.078 N/A HIS 94.A N LYS 91.A O no hydrogen 2.730 N/A HIS 94.A ND1 ARG 90.A O no hydrogen 3.309 N/A THR 95.A N LYS 91.A O no hydrogen 2.961 N/A THR 95.A OG1 SER 96.A OG no hydrogen 3.403 N/A SER 96.A N VAL 92.A O no hydrogen 2.962 N/A SER 96.A OG THR 95.A OG1 no hydrogen 3.403 N/A TYR 97.A N HIS 94.A O no hydrogen 3.148 N/A LYS 98.A N ALA 93.A O no hydrogen 3.116 N/A LYS 98.A NZ TYR 104.A OH no hydrogen 2.990 N/A ARG 99.A N HIS 94.A O no hydrogen 2.866 N/A TYR 101.A N TYR 97.A O no hydrogen 2.783 N/A GLY 102.A N LYS 98.A O no hydrogen 2.773 N/A LEU 110.A N PRO 106.A O no hydrogen 3.252 N/A VAL 111.A N THR 107.A O no hydrogen 2.964 N/A SER 112.A N LYS 108.A O no hydrogen 2.845 N/A GLU 113.A N LEU 109.A O no hydrogen 2.765 N/A VAL 114.A N LEU 110.A O no hydrogen 2.923 N/A ALA 115.A N VAL 111.A O no hydrogen 2.771 N/A LYS 116.A N SER 112.A O no hydrogen 2.958 N/A ILE 117.A N GLU 113.A O no hydrogen 3.122 N/A MET 118.A N VAL 114.A O no hydrogen 3.034 N/A GLN 119.A N ALA 115.A O no hydrogen 2.743 N/A GLN 119.A NE2 GLN 123.A OE1 no hydrogen 2.882 N/A GLU 120.A N LYS 116.A O no hydrogen 2.945 N/A ALA 121.A N MET 118.A O no hydrogen 2.916 N/A THR 122.A N GLN 119.A O no hydrogen 2.839 N/A THR 122.A OG1 PRO 152.A O no hydrogen 3.239 N/A GLN 123.A N GLU 120.A O no hydrogen 2.964 N/A SER 124.A N GLU 120.A O no hydrogen 2.583 N/A SER 124.A OG GLU 120.A O no hydrogen 3.125 N/A GLY 126.A N PHE 7.A O no hydrogen 2.930 N/A ARG 128.A NH1 ASP 81.A OD1 no hydrogen 2.791 N/A ARG 128.A NH1 PRO 129.A O no hydrogen 2.736 N/A ARG 128.A NH2 ASP 81.A OD1 no hydrogen 2.872 N/A ARG 128.A NH2 ASP 81.A OD2 no hydrogen 2.743 N/A GLY 131.A N ASP 81.A OD1 no hydrogen 2.855 N/A SER 133.A N SER 76.A O no hydrogen 3.166 N/A SER 133.A OG ASP 151.A OD2 no hydrogen 2.877 N/A LEU 134.A N VAL 150.A O no hydrogen 2.874 N/A LEU 135.A N VAL 74.A O no hydrogen 2.894 N/A ILE 136.A N TYR 148.A O no hydrogen 2.874 N/A ALA 137.A N GLY 72.A O no hydrogen 2.909 N/A GLY 138.A N SER 146A.A O no hydrogen 3.103 N/A HIS 139.A N ASP 70.A O no hydrogen 2.992 N/A ASP 140.A N GLY 144.A O no hydrogen 2.983 N/A ASN 143.A N ASP 140.A O no hydrogen 2.919 N/A ASN 143.A ND2 ASP 140.A OD1 no hydrogen 2.711 N/A GLY 144.A N ASP 140.A O no hydrogen 2.709 N/A TYR 148.A N ILE 136.A O no hydrogen 2.806 N/A GLN 149.A N PHE 157.A O no hydrogen 2.935 N/A GLN 149.A NE2 ASP 151.A OD2 no hydrogen 2.765 N/A VAL 150.A N LEU 134.A O no hydrogen 2.779 N/A ASP 151.A N SER 155.A O no hydrogen 2.947 N/A SER 153.A OG SER 155.A OG no hydrogen 2.713 N/A GLY 154.A N ASP 151.A O no hydrogen 2.729 N/A SER 155.A N SER 153.A OG no hydrogen 3.035 N/A SER 155.A OG SER 153.A OG no hydrogen 2.713 N/A PHE 157.A N GLN 149.A O no hydrogen 3.158 N/A TRP 159.A N LEU 147.A O no hydrogen 2.865 N/A THR 162.A N GLY 36.A O no hydrogen 3.021 N/A THR 162.A OG1 ALA 163.A O no hydrogen 3.477 N/A ILE 164.A N SER 34.A O no hydrogen 2.977 N/A LYS 166.A N GLY 31.A O no hydrogen 2.701 N/A GLY 167.A N THR 33.A OG1 no hydrogen 2.884 N/A SER 168.A N GLY 165.A O no hydrogen 2.901 N/A SER 168.A OG GLY 165.A O no hydrogen 3.372 N/A ALA 171.A N GLY 167.A O no hydrogen 3.119 N/A LYS 172.A N SER 168.A O no hydrogen 2.684 N/A THR 173.A N VAL 169.A O no hydrogen 3.287 N/A THR 173.A OG1 VAL 169.A O no hydrogen 3.167 N/A PHE 174.A N ALA 170.A O no hydrogen 2.925 N/A LEU 175.A N ALA 171.A O no hydrogen 2.847 N/A GLU 176.A N LYS 172.A O no hydrogen 2.992 N/A LYS 177.A N THR 173.A O no hydrogen 3.300 N/A ARG 178.A N LEU 175.A O no hydrogen 2.967 N/A TRP 179.A N LEU 175.A O no hydrogen 2.882 N/A TRP 179.A NE1 LYS 38.A O no hydrogen 2.991 N/A ASN 180.A ND2 ARG 178.A O no hydrogen 3.596 N/A GLU 182.A N ASN 180.A OD1 no hydrogen 2.964 N/A GLU 184.A N ASP 187.A OD1 no hydrogen 2.957 N/A LEU 185.A N ASN 41.A OD1 no hydrogen 2.919 N/A GLU 186.A N GLU 184.A OE1 no hydrogen 2.870 N/A ALA 188.A N GLU 184.A O no hydrogen 3.353 N/A ILE 189.A N LEU 185.A O no hydrogen 3.011 N/A HIS 190.A N GLU 186.A O no hydrogen 2.738 N/A ILE 191.A N ASP 187.A O no hydrogen 2.813 N/A ALA 192.A N ALA 188.A O no hydrogen 2.683 N/A LEU 193.A N ILE 189.A O no hydrogen 2.961 N/A LEU 194.A N HIS 190.A O no hydrogen 3.055 N/A THR 195.A N ILE 191.A O no hydrogen 2.995 N/A THR 195.A OG1 ILE 191.A O no hydrogen 2.580 N/A LEU 196.A N ALA 192.A O no hydrogen 2.792 N/A LYS 197.A N LEU 193.A O no hydrogen 3.038 N/A VAL 200.A N LYS 197.A O no hydrogen 3.062 N/A GLU 201.A N GLU 201.A OE2 no hydrogen 2.808 N/A ASN 205.A N THR 208A.A OG1 no hydrogen 2.919 N/A GLY 206.A N ASN 244.A OD1 no hydrogen 3.181 N/A ASP 207.A N ASN 205.A OD1 no hydrogen 2.680 N/A ILE 209.A N ASN 205.A O no hydrogen 2.992 N/A GLU 210.A N THR 47.A O no hydrogen 3.118 N/A ALA 212.A N ILE 45.A O no hydrogen 2.930 N/A ILE 213.A N ARG 236.A O no hydrogen 2.791 N/A ILE 214.A N VAL 43.A O no hydrogen 2.939 N/A GLY 215.A N ARG 234.A O no hydrogen 2.875 N/A ARG 234.A N ASP 70.A OD1 no hydrogen 3.245 N/A ARG 234.A NH1 GLY 215.A O no hydrogen 2.655 N/A PHE 235.A N PRO 69.A O no hydrogen 3.185 N/A ARG 236.A N ILE 213.A O no hydrogen 2.907 N/A LYS 237.A NZ GLU 210.A OE1 no hydrogen 2.699 N/A LEU 238.A N LEU 211.A O no hydrogen 2.852 N/A THR 239.A N GLU 242.A OE1 no hydrogen 2.803 N/A SER 240.A OG GLY 206.A O no hydrogen 2.861 N/A SER 240.A OG ASP 207.A OD1 no hydrogen 2.591 N/A GLN 241.A NE2 ASP 245.A OD1 no hydrogen 2.717 N/A GLN 241.A NE2 ASP 245.A OD2 no hydrogen 3.508 N/A GLU 242.A N THR 239.A OG1 no hydrogen 2.862 N/A ILE 243.A N THR 239.A O no hydrogen 3.068 N/A ASN 244.A N SER 240.A O no hydrogen 3.365 N/A ASP 245.A N GLN 241.A O no hydrogen 3.192 N/A ARG 246.A NE GLU 186.A OE1 no hydrogen 2.855 N/A ARG 246.A NE GLU 186.A OE2 no hydrogen 3.124 N/A ARG 246.A NH1 GLU 242.A O no hydrogen 2.832 N/A ARG 246.A NH2 GLU 186.A OE2 no hydrogen 2.592 N/A LEU 247.A N ILE 243.A O no hydrogen 3.059 N/A LEU 247.A N ASN 244.A O no hydrogen 2.867 N/A GLU 248.A N ASN 244.A O no hydrogen 3.156 N/A GLU 248.A N ASP 245.A O no hydrogen 3.390 N/A LEU 250.A N LEU 247.A O no hydrogen 3.188 N/A ILE 100A.A N TYR 97.A O no hydrogen 2.904 N/A SER 146A.A N GLY 138.A O no hydrogen 3.048 N/A THR 208A.A N ASN 205.A O no hydrogen 2.794 N/A THR 208A.A OG1 GLU 203.A O no hydrogen 3.009 N/A THR 208A.A OG1 ASN 205.A O no hydrogen 2.995 N/A ASN 218B.A N PRO 233.A O no hydrogen 3.085 N/A ASN 218B.A ND2 PRO 233.A O no hydrogen 2.723 N/A LEU 221F.A N ASN 218B.A O no hydrogen 2.626 N/A LEU 222G.A N PRO 219D.A O no hydrogen 3.318 N/A TYR 224I.A OH ASP 230O.A OD1 no hydrogen 2.612 N/A THR 229N.A OG1 ASP 230O.A OD2 no hydrogen 3.052 N/A ASP 230O.A N ILE 227L.A O no hydrogen 2.982 N/A