Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3shj_G.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N ALA 1.A O no hydrogen 3.212 N/A HIS 6.A N TYR 3.A O no hydrogen 2.928 N/A THR 8.A OG1 TYR 119.A O no hydrogen 3.425 N/A THR 8.A OG1 ARG 122.A O no hydrogen 3.236 N/A ILE 9.A N ILE 7.A O no hydrogen 2.822 N/A SER 11.A N ARG 15.A O no hydrogen 2.745 N/A SER 11.A OG GLU 13.A OE1 no hydrogen 2.931 N/A SER 11.A OG ARG 15.A O no hydrogen 3.499 N/A GLU 13.A N SER 11.A OG no hydrogen 3.230 N/A GLY 14.A N SER 11.A O no hydrogen 2.825 N/A ARG 15.A N SER 11.A OG no hydrogen 2.899 N/A ARG 15.A NE GLU 20.A OE1 no hydrogen 2.830 N/A ARG 15.A NH2 GLU 20.A OE1 no hydrogen 3.191 N/A ARG 15.A NH2 GLU 20.A OE2 no hydrogen 2.698 N/A TYR 17.A OH GLU 13.A OE1 no hydrogen 3.357 N/A GLN 18.A NE2 ARG 5.A O no hydrogen 2.720 N/A VAL 19.A N LEU 16.A O no hydrogen 2.753 N/A GLU 20.A N LEU 16.A O no hydrogen 3.231 N/A TYR 21.A N TYR 17.A O no hydrogen 2.687 N/A ALA 22.A N GLN 18.A O no hydrogen 3.090 N/A PHE 23.A N VAL 19.A O no hydrogen 2.982 N/A LYS 24.A N GLU 20.A O no hydrogen 3.068 N/A ALA 25.A N TYR 21.A O no hydrogen 3.015 N/A THR 26.A N ALA 22.A O no hydrogen 3.281 N/A THR 26.A N PHE 23.A O no hydrogen 3.136 N/A THR 26.A OG1 PHE 23.A O no hydrogen 2.602 N/A ASN 27.A N LYS 24.A O no hydrogen 2.873 N/A GLN 28.A N ALA 25.A O no hydrogen 2.821 N/A ASN 32.A N GLN 47.A OE1 no hydrogen 2.865 N/A ASN 32.A ND2 GLN 47.A OE1 no hydrogen 3.022 N/A SER 33.A N THR 162.A O no hydrogen 2.834 N/A SER 33.A OG ASN 75.A OD1 no hydrogen 2.815 N/A LEU 34.A N ILE 45.A O no hydrogen 2.814 N/A ALA 35.A N THR 160.A O no hydrogen 2.777 N/A VAL 36.A N VAL 43.A O no hydrogen 3.040 N/A ARG 37.A NE LYS 158.A O no hydrogen 3.127 N/A ARG 37.A NH2 ASP 183B.A O no hydrogen 2.654 N/A ARG 37.A NH2 ASP 183B.A OD2 no hydrogen 3.004 N/A GLY 38.A N CYS 41.A O no hydrogen 2.916 N/A THR 42.A N ALA 219.A O no hydrogen 2.867 N/A THR 42.A OG1 SER 136.A O no hydrogen 3.065 N/A VAL 43.A N VAL 36.A O no hydrogen 3.060 N/A VAL 44.A N GLY 217.A O no hydrogen 3.018 N/A ILE 45.A N LEU 34.A O no hydrogen 2.809 N/A SER 46.A N GLU 215.A O no hydrogen 3.025 N/A SER 46.A OG GLN 47.A O no hydrogen 3.359 N/A GLN 47.A N ASN 32.A O no hydrogen 2.992 N/A LYS 48.A N ASP 213.A O no hydrogen 2.616 N/A LYS 48.A NZ PRO 57.A O no hydrogen 2.720 N/A LYS 48.A NZ VAL 60.A O no hydrogen 3.276 N/A LYS 49.A NZ ASN 30A.A O no hydrogen 3.157 N/A LEU 54.A N ASP 52.A OD1 no hydrogen 2.579 N/A LEU 55.A N ASP 52.A O no hydrogen 3.439 N/A THR 58.A N ASP 56.A OD2 no hydrogen 3.176 N/A THR 58.A OG1 ASP 56.A OD2 no hydrogen 2.393 N/A THR 59.A N ASP 56.A O no hydrogen 2.730 N/A THR 59.A OG1 ASP 56.A O no hydrogen 2.920 N/A VAL 60.A N PRO 57.A O no hydrogen 3.203 N/A SER 61.A OG ILE 63.A O no hydrogen 3.197 N/A SER 61.A OG GLU 215.A OE2 no hydrogen 2.507 N/A TYR 62.A N GLU 215.A OE1 no hydrogen 3.128 N/A ILE 63.A N SER 61.A OG no hydrogen 3.135 N/A PHE 64.A N MET 72.A O no hydrogen 2.673 N/A SER 67.A N ILE 70.A O no hydrogen 3.246 N/A SER 67.A OG THR 69.A OG1 no hydrogen 3.331 N/A THR 69.A N SER 67.A OG no hydrogen 3.172 N/A THR 69.A OG1 SER 67.A OG no hydrogen 3.331 N/A ILE 70.A N SER 67.A OG no hydrogen 2.886 N/A GLY 71.A N VAL 135.A O no hydrogen 2.836 N/A MET 72.A N PHE 64.A O no hydrogen 3.033 N/A VAL 73.A N THR 133.A O no hydrogen 2.955 N/A VAL 74.A N TYR 62.A O no hydrogen 2.820 N/A ASN 75.A N ILE 131.A O no hydrogen 3.051 N/A ASN 75.A ND2 THR 162.A O no hydrogen 3.329 N/A ALA 81.A N PRO 77.A O no hydrogen 3.079 N/A ARG 82.A N ILE 78.A O no hydrogen 2.738 N/A ASN 83.A N PRO 79.A O no hydrogen 2.990 N/A ALA 84.A N ASP 80.A O no hydrogen 2.836 N/A ALA 85.A N ALA 81.A O no hydrogen 2.803 N/A LEU 86.A N ARG 82.A O no hydrogen 2.920 N/A ARG 87.A N ASN 83.A O no hydrogen 3.147 N/A ARG 87.A NE GLU 91.A OE2 no hydrogen 2.613 N/A ARG 87.A NH2 GLU 91.A OE2 no hydrogen 3.063 N/A ALA 88.A N ALA 84.A O no hydrogen 2.933 N/A LYS 89.A N ALA 85.A O no hydrogen 2.806 N/A ALA 90.A N LEU 86.A O no hydrogen 2.872 N/A GLU 91.A N ARG 87.A O no hydrogen 2.762 N/A ALA 92.A N ALA 88.A O no hydrogen 2.884 N/A ALA 93.A N LYS 89.A O no hydrogen 2.984 N/A GLU 94.A N ALA 90.A O no hydrogen 3.034 N/A PHE 95.A N GLU 91.A O no hydrogen 2.985 N/A ARG 96.A N ALA 92.A O no hydrogen 3.300 N/A ARG 96.A NH1 ARG 96.A O no hydrogen 2.842 N/A TYR 97.A N ALA 93.A O no hydrogen 3.077 N/A LYS 98.A N GLU 94.A O no hydrogen 2.801 N/A LYS 98.A NZ GLU 94.A OE2 no hydrogen 3.242 N/A TYR 99.A N PHE 95.A O no hydrogen 2.873 N/A GLY 100.A N ARG 96.A O no hydrogen 2.732 N/A LEU 108.A N PRO 104.A O no hydrogen 2.969 N/A ALA 109.A N CYS 105.A O no hydrogen 2.942 N/A LYS 110.A N ASP 106.A O no hydrogen 2.821 N/A ARG 111.A N VAL 107.A O no hydrogen 2.764 N/A ARG 111.A NE GLU 91.A OE1 no hydrogen 2.776 N/A ARG 111.A NH2 GLU 91.A OE2 no hydrogen 3.356 N/A MET 112.A N LEU 108.A O no hydrogen 2.936 N/A ALA 113.A N ALA 109.A O no hydrogen 2.704 N/A ASN 114.A N LYS 110.A O no hydrogen 2.761 N/A LEU 115.A N ARG 111.A O no hydrogen 3.053 N/A SER 116.A N MET 112.A O no hydrogen 2.980 N/A SER 116.A OG MET 112.A O no hydrogen 3.452 N/A GLN 117.A N ALA 113.A O no hydrogen 2.807 N/A ILE 118.A N ASN 114.A O no hydrogen 3.080 N/A THR 120.A N SER 116.A O no hydrogen 3.281 N/A THR 120.A N GLN 117.A O no hydrogen 2.971 N/A GLN 121.A N GLN 117.A O no hydrogen 3.267 N/A GLN 121.A N ILE 118.A O no hydrogen 2.851 N/A ARG 122.A N ILE 118.A O no hydrogen 2.836 N/A ARG 126.A NH1 ASP 80.A OD1 no hydrogen 2.930 N/A ARG 126.A NH1 PRO 127.A O no hydrogen 2.845 N/A ARG 126.A NH2 ASP 80.A OD1 no hydrogen 3.510 N/A ARG 126.A NH2 ASP 80.A OD2 no hydrogen 2.830 N/A GLY 129.A N ASP 80.A OD1 no hydrogen 2.875 N/A VAL 130.A N LEU 128.A O no hydrogen 2.775 N/A ILE 131.A N ASN 75.A O no hydrogen 3.056 N/A LEU 132.A N THR 148.A O no hydrogen 3.012 N/A THR 133.A N VAL 73.A O no hydrogen 2.998 N/A PHE 134.A N TYR 146.A O no hydrogen 2.601 N/A VAL 135.A N GLY 71.A O no hydrogen 2.744 N/A SER 136.A N SER 144.A O no hydrogen 3.287 N/A LEU 141.A N ASP 138.A OD2 no hydrogen 2.656 N/A GLY 142.A N ASP 138.A O no hydrogen 2.840 N/A SER 144.A N SER 136.A O no hydrogen 2.682 N/A SER 144.A OG GLY 142.A O no hydrogen 2.709 N/A TYR 146.A N PHE 134.A O no hydrogen 2.909 N/A LYS 147.A N VAL 155.A O no hydrogen 3.225 N/A LYS 147.A NZ THR 162.A OG1 no hydrogen 2.761 N/A THR 148.A N LEU 132.A O no hydrogen 2.838 N/A ASP 149.A N TYR 153.A O no hydrogen 3.223 N/A ALA 151.A N ASP 149.A OD1 no hydrogen 2.794 N/A GLY 152.A N ASP 149.A O no hydrogen 3.138 N/A TYR 153.A N ASP 149.A OD1 no hydrogen 3.059 N/A VAL 155.A N LYS 147.A O no hydrogen 3.359 N/A TYR 157.A N ILE 145.A O no hydrogen 2.848 N/A THR 160.A N ALA 35.A O no hydrogen 2.975 N/A THR 162.A N SER 33.A O no hydrogen 2.810 N/A LYS 165.A N ASN 32.A OD1 no hydrogen 2.800 N/A GLN 166.A N GLY 163.A O no hydrogen 3.052 N/A GLN 167.A NE2 GLN 167.A O no hydrogen 3.195 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 2.597 N/A ILE 169.A N LYS 165.A O no hydrogen 3.358 N/A THR 170.A N GLN 166.A O no hydrogen 2.853 N/A THR 170.A OG1 GLN 166.A O no hydrogen 2.997 N/A THR 170.A OG1 GLN 166.A OE1 no hydrogen 3.296 N/A THR 171.A N GLN 167.A O no hydrogen 2.972 N/A THR 171.A OG1 GLN 167.A O no hydrogen 3.003 N/A THR 171.A OG1 GLU 168.A O no hydrogen 2.999 N/A ASN 172.A N GLU 168.A O no hydrogen 2.868 N/A LEU 173.A N ILE 169.A O no hydrogen 3.027 N/A GLU 174.A N THR 170.A O no hydrogen 2.614 N/A ASN 175.A N THR 171.A O no hydrogen 2.911 N/A HIS 176.A N ASN 172.A O no hydrogen 3.077 N/A GLU 191.A N GLU 191.A OE2 no hydrogen 2.773 N/A LYS 192.A N SER 189M.A OG no hydrogen 3.395 N/A VAL 193.A N SER 189M.A O no hydrogen 3.309 N/A VAL 194.A N TRP 190.A O no hydrogen 2.627 N/A GLU 195.A N GLU 191.A O no hydrogen 2.984 N/A PHE 196.A N LYS 192.A O no hydrogen 2.754 N/A ALA 197.A N VAL 193.A O no hydrogen 2.921 N/A ILE 198.A N VAL 194.A O no hydrogen 2.855 N/A THR 199.A N GLU 195.A O no hydrogen 2.804 N/A THR 199.A OG1 GLU 195.A O no hydrogen 2.948 N/A HIS 200.A N PHE 196.A O no hydrogen 2.901 N/A HIS 200.A ND1 ASN 172.A OD1 no hydrogen 2.851 N/A MET 201.A N ALA 197.A O no hydrogen 2.998 N/A ILE 202.A N ILE 198.A O no hydrogen 3.099 N/A ASP 203.A N THR 199.A O no hydrogen 3.117 N/A ALA 204.A N HIS 200.A O no hydrogen 3.136 N/A LEU 205.A N MET 201.A O no hydrogen 3.001 N/A THR 207.A N ILE 202.A O no hydrogen 3.165 N/A THR 207.A OG1 LEU 205.A O no hydrogen 3.264 N/A SER 210.A N ASP 213.A OD1 no hydrogen 2.801 N/A SER 210.A OG ASP 213.A OD2 no hydrogen 3.109 N/A LYS 211.A NZ GLU 230.A OE2 no hydrogen 2.656 N/A ASN 212.A N SER 210.A OG no hydrogen 2.993 N/A GLY 217.A N VAL 44.A O no hydrogen 3.006 N/A VAL 218.A N PHE 225.A O no hydrogen 2.667 N/A ALA 219.A N THR 42.A O no hydrogen 2.703 N/A THR 220.A N LYS 223.A O no hydrogen 2.663 N/A THR 220.A OG1 LYS 223.A O no hydrogen 3.164 N/A LYS 221.A NZ VAL 137.A O no hydrogen 3.433 N/A LYS 223.A N THR 220.A O no hydrogen 2.910 N/A PHE 225.A N VAL 218.A O no hydrogen 2.948 N/A LEU 227.A N VAL 216.A O no hydrogen 2.887 N/A SER 228.A N ASN 231.A OD1 no hydrogen 3.088 N/A ASN 231.A N SER 228.A OG no hydrogen 3.132 N/A ILE 232.A N SER 228.A O no hydrogen 2.777 N/A GLU 233.A N ALA 229.A O no hydrogen 2.875 N/A GLU 234.A N GLU 230.A O no hydrogen 3.141 N/A ARG 235.A NE GLU 195.A OE1 no hydrogen 3.265 N/A ARG 235.A NH2 GLU 195.A OE1 no hydrogen 2.863 N/A LEU 236.A N ILE 232.A O no hydrogen 2.874 N/A VAL 237.A N GLU 233.A O no hydrogen 2.826 N/A ALA 238.A N GLU 234.A O no hydrogen 3.131 N/A ILE 239.A N ARG 235.A O no hydrogen 3.087 N/A ALA 240.A N LEU 236.A O no hydrogen 3.166 N/A GLU 241.A N VAL 237.A O no hydrogen 3.240 N/A GLN 242.A N ALA 240.A O no hydrogen 2.555 N/A ASP 243.A N ALA 240.A O no hydrogen 3.006 N/A ASN 30A.A N ASN 27.A O no hydrogen 2.825 N/A GLU 140A.A N ASP 138.A OD2 no hydrogen 2.947 N/A PHE 177A.A N LEU 173.A O no hydrogen 3.060 N/A LYS 178B.A N GLU 174.A O no hydrogen 3.052 N/A ASP 183B.A N ASP 183B.A OD1 no hydrogen 2.608 N/A LYS 179C.A N ASN 175.A O no hydrogen 3.113 N/A SER 180D.A N HIS 176.A O no hydrogen 2.977 N/A SER 180D.A OG HIS 176.A O no hydrogen 3.236 N/A SER 180D.A OG PHE 177A.A O no hydrogen 3.441 N/A ILE 185D.A N ARG 37.A O no hydrogen 2.641 N/A LYS 181E.A N PHE 177A.A O no hydrogen 2.786 N/A GLU 187G.A N ILE 185D.A O no hydrogen 2.535 N/A