Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2x63_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ ASP 25.A OD1 no hydrogen 3.116 N/A LYS 2.A NZ GLU 146.A OE2 no hydrogen 2.910 N/A VAL 3.A N GLU 146.A O no hydrogen 3.102 N/A ILE 4.A N ASP 25.A O no hydrogen 2.751 N/A ILE 5.A N TYR 148.A O no hydrogen 2.853 N/A ALA 6.A N PHE 27.A O no hydrogen 3.141 N/A GLY 7.A N SER 150.A O no hydrogen 2.903 N/A ASN 8.A ND2 CYS 29.A O no hydrogen 3.031 N/A GLY 9.A N GLY 151.A O no hydrogen 2.821 N/A SER 11.A N ASP 153.A OD2 no hydrogen 2.847 N/A SER 11.A OG ASP 153.A OD1 no hydrogen 3.280 N/A SER 11.A OG ASP 153.A OD2 no hydrogen 2.732 N/A LEU 12.A N GLY 9.A O no hydrogen 2.983 N/A LYS 13.A N PRO 10.A O no hydrogen 2.938 N/A LYS 13.A NZ ALA 162.A O no hydrogen 3.517 N/A GLU 14.A N SER 11.A O no hydrogen 2.942 N/A ASP 16.A N LEU 210.A O no hydrogen 2.896 N/A TYR 17.A OH TYR 39.A O no hydrogen 2.457 N/A SER 18.A N ASP 16.A OD1 no hydrogen 3.278 N/A SER 18.A OG ASP 16.A OD1 no hydrogen 2.772 N/A SER 18.A OG ASN 225.A OD1 no hydrogen 3.237 N/A ARG 19.A N ASP 16.A O no hydrogen 2.888 N/A ARG 19.A NE ASP 16.A OD2 no hydrogen 2.719 N/A ARG 19.A NH2 ALA 223.A O no hydrogen 2.765 N/A LEU 20.A N TYR 17.A O no hydrogen 3.096 N/A ASP 25.A N LYS 2.A O no hydrogen 2.869 N/A PHE 27.A N ILE 4.A O no hydrogen 2.841 N/A ARG 28.A N ALA 46.A O no hydrogen 3.062 N/A ARG 28.A NH1 GLU 35.A OE1 no hydrogen 2.937 N/A ARG 28.A NH2 GLU 35.A OE1 no hydrogen 3.091 N/A ARG 28.A NH2 GLU 35.A OE2 no hydrogen 3.315 N/A ASN 30.A N PHE 48.A O no hydrogen 2.805 N/A ASN 30.A ND2 SER 131.A OG no hydrogen 3.393 N/A PHE 32.A N CYS 29.A O no hydrogen 3.142 N/A TYR 33.A OH GLN 57.A OE1 no hydrogen 2.837 N/A PHE 34.A N GLN 31.A O no hydrogen 2.919 N/A GLU 35.A N PHE 32.A O no hydrogen 3.106 N/A TYR 38.A N GLN 233.A O no hydrogen 2.879 N/A TYR 38.A OH GLU 69.A O no hydrogen 2.553 N/A TYR 39.A N LYS 37.A O no hydrogen 2.820 N/A TYR 39.A OH ASP 36.A OD1 no hydrogen 2.558 N/A GLY 41.A N TYR 38.A O no hydrogen 3.019 N/A LYS 42.A NZ GLN 68.A O no hydrogen 3.192 N/A CYS 44.A N GLU 71.A O no hydrogen 2.848 N/A LYS 45.A N VAL 26.A O no hydrogen 2.761 N/A LYS 45.A NZ GLU 73.A OE1 no hydrogen 2.610 N/A ALA 46.A N VAL 26.A O no hydrogen 3.307 N/A VAL 47.A N LEU 74.A O no hydrogen 3.053 N/A PHE 48.A N ARG 28.A O no hydrogen 2.855 N/A TYR 49.A N MET 76.A O no hydrogen 2.790 N/A ALA 50.A N ASN 30.A OD1 no hydrogen 3.267 N/A PHE 54.A N PRO 51.A O no hydrogen 3.041 N/A GLU 56.A N GLU 56.A OE1 no hydrogen 2.756 N/A GLN 57.A N LEU 53.A O no hydrogen 2.942 N/A TYR 58.A N PHE 54.A O no hydrogen 2.907 N/A TYR 58.A OH ASP 100.A OD1 no hydrogen 2.481 N/A TYR 58.A OH ASP 100.A OD2 no hydrogen 3.231 N/A TYR 59.A N PHE 55.A O no hydrogen 3.472 N/A THR 60.A N GLU 56.A O no hydrogen 2.845 N/A THR 60.A OG1 GLU 56.A O no hydrogen 2.793 N/A LEU 61.A N GLN 57.A O no hydrogen 2.716 N/A LYS 62.A N TYR 58.A O no hydrogen 3.048 N/A LYS 62.A NZ ASP 100.A OD2 no hydrogen 2.738 N/A HIS 63.A N TYR 59.A O no hydrogen 3.288 N/A LEU 64.A N THR 60.A O no hydrogen 2.913 N/A ILE 65.A N LEU 61.A O no hydrogen 2.882 N/A GLN 66.A N LYS 62.A O no hydrogen 2.883 N/A ASN 67.A N HIS 63.A O no hydrogen 2.754 N/A GLN 68.A N ILE 65.A O no hydrogen 2.825 N/A GLU 69.A N LEU 64.A O no hydrogen 2.897 N/A TYR 70.A OH GLU 35.A OE2 no hydrogen 2.501 N/A GLU 71.A N LYS 42.A O no hydrogen 2.863 N/A THR 72.A OG1 CYS 44.A O no hydrogen 3.511 N/A THR 72.A OG1 LEU 74.A O no hydrogen 3.000 N/A GLU 73.A N CYS 44.A O no hydrogen 3.287 N/A LEU 74.A N LYS 45.A O no hydrogen 2.916 N/A MET 76.A N VAL 47.A O no hydrogen 2.783 N/A CYS 77.A N HIS 102.A O no hydrogen 2.869 N/A CYS 77.A SG TYR 49.A O no hydrogen 3.817 N/A SER 78.A N TYR 49.A O no hydrogen 2.886 N/A SER 78.A OG.B TYR 49.A O no hydrogen 3.379 N/A ASN 79.A N CYS 77.A O no hydrogen 2.986 N/A ASN 79.A ND2 GLU 86.A OE2 no hydrogen 3.445 N/A TYR 80.A N GLU 86.A OE1 no hydrogen 2.789 N/A ASN 81.A N GLU 86.A OE2 no hydrogen 2.676 N/A HIS 84.A NE2 GLU 122.A OE2 no hydrogen 2.862 N/A LEU 85.A N GLN 82.A O no hydrogen 2.960 N/A PHE 90.A N ASN 87.A OD1 no hydrogen 2.837 N/A VAL 91.A N ASN 87.A O no hydrogen 3.165 N/A LYS 92.A N GLU 88.A O no hydrogen 2.950 N/A THR 93.A N ASN 89.A O no hydrogen 2.925 N/A THR 93.A OG1 ASN 89.A O no hydrogen 2.970 N/A THR 93.A OG1 ASN 256.A OD1 no hydrogen 3.285 N/A PHE 94.A N VAL 91.A O no hydrogen 3.372 N/A TYR 95.A OH ASP 106.A OD2 no hydrogen 2.409 N/A ASP 96.A N THR 93.A O no hydrogen 2.879 N/A TYR 97.A N THR 93.A O no hydrogen 3.165 N/A PHE 98.A N PHE 94.A O no hydrogen 2.826 N/A ALA 101.A N PHE 98.A O no hydrogen 3.048 N/A HIS 102.A N ILE 75.A O no hydrogen 2.741 N/A LEU 103.A N TYR 95.A OH no hydrogen 3.033 N/A GLY 104.A N CYS 77.A O no hydrogen 2.672 N/A TYR 105.A N ASN 79.A OD1 no hydrogen 3.016 N/A ASP 106.A N LEU 103.A O no hydrogen 3.006 N/A PHE 107.A N GLY 104.A O no hydrogen 2.828 N/A PHE 108.A N GLY 104.A O no hydrogen 2.936 N/A LYS 109.A N TYR 105.A O no hydrogen 3.005 N/A GLN 110.A N PHE 107.A O no hydrogen 2.964 N/A GLN 110.A NE2 ASP 106.A O no hydrogen 2.887 N/A LEU 111.A N PHE 108.A O no hydrogen 2.975 N/A PHE 114.A N TYR 203.A OH no hydrogen 3.214 N/A ASN 115.A N LEU 111.A O no hydrogen 2.700 N/A ASN 115.A ND2 TYR 105.A OH no hydrogen 2.909 N/A ALA 116.A N LYS 112.A O no hydrogen 2.810 N/A TYR 117.A N ASP 113.A O no hydrogen 2.901 N/A PHE 118.A N PHE 114.A O no hydrogen 2.825 N/A LYS 119.A N ASN 115.A O no hydrogen 2.964 N/A LYS 119.A NZ TYR 80.A O no hydrogen 2.936 N/A LYS 119.A NZ ASN 115.A OD1 no hydrogen 3.000 N/A PHE 120.A N ALA 116.A O no hydrogen 3.085 N/A HIS 121.A N TYR 117.A O no hydrogen 3.264 N/A HIS 121.A ND1 TYR 117.A O no hydrogen 2.543 N/A GLU 122.A N PHE 118.A O no hydrogen 2.811 N/A ILE 123.A N LYS 119.A O no hydrogen 2.776 N/A TYR 124.A N PHE 120.A O no hydrogen 2.999 N/A PHE 125.A N HIS 121.A O no hydrogen 3.110 N/A ASN 126.A N GLU 122.A O no hydrogen 3.075 N/A GLN 127.A N HIS 121.A O no hydrogen 2.895 N/A ARG 128.A N GLY 186.A O no hydrogen 3.050 N/A ARG 128.A NE GLU 122.A OE1 no hydrogen 2.832 N/A ARG 128.A NH2 GLU 122.A OE2 no hydrogen 2.829 N/A THR 130.A N ASP 192.A OD1 no hydrogen 3.040 N/A THR 130.A OG1 ASP 192.A OD1 no hydrogen 3.436 N/A THR 130.A OG1 ASP 192.A OD2 no hydrogen 2.521 N/A VAL 133.A N THR 130.A O no hydrogen 2.976 N/A TYR 134.A N THR 130.A O no hydrogen 3.063 N/A TYR 134.A OH ASN 79.A O no hydrogen 2.824 N/A MET 135.A N SER 131.A O no hydrogen 2.822 N/A CYS 136.A N GLY 132.A O no hydrogen 3.199 N/A CYS 136.A SG.A GLY 132.A O no hydrogen 3.403 N/A ALA 137.A N VAL 133.A O no hydrogen 3.048 N/A VAL 138.A N TYR 134.A O no hydrogen 3.051 N/A ALA 139.A N MET 135.A O no hydrogen 2.802 N/A ILE 140.A N CYS 136.A O no hydrogen 2.938 N/A ALA 141.A N ALA 137.A O no hydrogen 2.987 N/A LEU 142.A N VAL 138.A O no hydrogen 2.919 N/A GLY 143.A N ILE 140.A O no hydrogen 2.909 N/A TYR 144.A N ALA 139.A O no hydrogen 3.028 N/A TYR 144.A OH ASP 25.A OD2 no hydrogen 2.491 N/A ILE 147.A N LYS 206.A O no hydrogen 2.768 N/A TYR 148.A N VAL 3.A O no hydrogen 2.892 N/A LEU 149.A N TYR 208.A O no hydrogen 2.789 N/A SER 150.A N ILE 5.A O no hydrogen 3.102 N/A SER 159.A N ASP 180.A O no hydrogen 3.034 N/A SER 159.A OG ASP 180.A O no hydrogen 3.555 N/A SER 159.A OG SER 182.A OG no hydrogen 3.374 N/A SER 160.A OG GLN 156.A O no hydrogen 3.097 N/A SER 160.A OG GLY 158.A O no hydrogen 3.386 N/A ALA 162.A N ASN 8.A O no hydrogen 2.788 N/A LYS 166.A N ASP 164.A OD1 no hydrogen 2.875 N/A LYS 166.A NZ PHE 177.A O no hydrogen 3.173 N/A GLN 167.A N THR 165.A O no hydrogen 2.796 N/A GLN 167.A NE2 ASP 164.A O no hydrogen 3.573 N/A ASN 169.A N ASP 241.A OD2 no hydrogen 2.842 N/A ASN 169.A ND2 ILE 242.A O no hydrogen 2.809 N/A LEU 170.A N ASP 241.A OD1 no hydrogen 3.082 N/A LEU 171.A N GLN 167.A O no hydrogen 2.897 N/A LYS 172.A N LYS 168.A O no hydrogen 3.049 N/A LEU 173.A N ASN 169.A O no hydrogen 2.999 N/A ALA 174.A N LEU 170.A O no hydrogen 2.724 N/A ASN 176.A ND2 SER 182.A O no hydrogen 2.858 N/A PHE 177.A N ALA 174.A O no hydrogen 3.011 N/A LYS 178.A N PRO 175.A O no hydrogen 2.933 N/A ASN 179.A N ASN 176.A O no hydrogen 3.441 N/A SER 182.A N SER 159.A OG no hydrogen 2.972 N/A SER 182.A OG SER 159.A OG no hydrogen 3.374 N/A TYR 184.A OH ASN 126.A OD1 no hydrogen 2.600 N/A HIS 187.A N TYR 184.A O no hydrogen 3.083 N/A HIS 187.A ND1 ARG 128.A O no hydrogen 2.817 N/A SER 188.A OG THR 191.A OG1 no hydrogen 3.196 N/A THR 191.A N SER 188.A OG no hydrogen 3.104 N/A THR 191.A OG1 SER 188.A OG no hydrogen 3.196 N/A ASP 192.A N SER 188.A O no hydrogen 3.091 N/A ILE 193.A N LYS 189.A O no hydrogen 2.836 N/A LYS 194.A N ASN 190.A O no hydrogen 2.789 N/A LYS 194.A NZ ASN 190.A OD1 no hydrogen 3.080 N/A ALA 195.A N THR 191.A O no hydrogen 3.103 N/A LEU 196.A N ASP 192.A O no hydrogen 2.954 N/A GLU 197.A N ILE 193.A O no hydrogen 2.855 N/A PHE 198.A N LYS 194.A O no hydrogen 2.864 N/A LEU 199.A N ALA 195.A O no hydrogen 2.936 N/A GLU 200.A N LEU 196.A O no hydrogen 2.968 N/A LYS 201.A N GLU 197.A O no hydrogen 3.048 N/A THR 202.A N PHE 198.A O no hydrogen 2.743 N/A THR 202.A OG1 PHE 198.A O no hydrogen 2.730 N/A TYR 203.A N LEU 199.A O no hydrogen 2.944 N/A LYS 206.A N LYS 145.A O no hydrogen 2.867 N/A LEU 207.A N GLU 200.A OE2 no hydrogen 2.856 N/A TYR 208.A N ILE 147.A O no hydrogen 2.701 N/A CYS 209.A N GLY 221.A O no hydrogen 2.873 N/A CYS 209.A SG CYS 211.A O no hydrogen 3.307 N/A LEU 210.A N LEU 149.A O no hydrogen 2.902 N/A CYS 211.A SG SER 11.A O no hydrogen 3.283 N/A CYS 211.A SG SER 11.A OG no hydrogen 3.765 N/A SER 214.A N CYS 211.A O no hydrogen 3.081 N/A SER 214.A OG ILE 152.A O no hydrogen 3.120 N/A SER 214.A OG ASP 153.A OD1 no hydrogen 2.966 N/A LEU 216.A N SER 214.A OG no hydrogen 2.957 N/A ALA 217.A N SER 214.A O no hydrogen 2.873 N/A ASN 218.A N LEU 215.A O no hydrogen 3.079 N/A PHE 219.A N LEU 216.A O no hydrogen 3.015 N/A ILE 220.A N LEU 216.A O no hydrogen 2.972 N/A ALA 223.A N CYS 209.A O no hydrogen 2.902 N/A ASN 225.A ND2 ASN 227.A OD1 no hydrogen 3.571 N/A LEU 226.A N SER 18.A O no hydrogen 2.809 N/A ASN 227.A N ASN 225.A OD1 no hydrogen 2.892 N/A SER 228.A N SER 18.A O no hydrogen 3.279 N/A SER 228.A OG LEU 20.A O no hydrogen 2.595 N/A LYS 235.A NZ TYR 33.A O no hydrogen 2.903 N/A LYS 235.A NZ GLU 35.A O no hydrogen 2.989 N/A LYS 235.A NZ TYR 70.A OH no hydrogen 2.828 N/A THR 239.A N GLU 69.A OE1 no hydrogen 2.844 N/A THR 239.A OG1 HIS 63.A NE2 no hydrogen 3.413 N/A THR 239.A OG1 GLU 69.A OE2 no hydrogen 2.663 N/A LEU 243.A N THR 60.A OG1 no hydrogen 2.874 N/A ALA 249.A N SER 246.A OG no hydrogen 3.071 N/A TYR 250.A N SER 246.A O no hydrogen 3.085 N/A TYR 250.A OH GLU 56.A OE2 no hydrogen 2.559 N/A GLY 251.A N SER 247.A O no hydrogen 3.013 N/A LYS 252.A N GLU 248.A O no hydrogen 3.145 N/A PHE 253.A N ALA 249.A O no hydrogen 3.086 N/A PHE 253.A N TYR 250.A O no hydrogen 3.095 N/A SER 254.A N GLY 251.A O no hydrogen 3.288 N/A SER 254.A OG GLY 251.A O no hydrogen 3.000 N/A ASN 256.A N PHE 253.A O no hydrogen 2.751 N/A ASN 256.A ND2 ASN 89.A OD1 no hydrogen 2.675 N/A