Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2x61_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ ASP 25.A OD1 no hydrogen 3.363 N/A LYS 2.A NZ GLU 146.A OE1 no hydrogen 2.103 N/A VAL 3.A N GLU 146.A O no hydrogen 3.097 N/A ILE 4.A N ASP 25.A O no hydrogen 2.801 N/A ILE 5.A N TYR 148.A O no hydrogen 2.829 N/A ALA 6.A N PHE 27.A O no hydrogen 3.135 N/A GLY 7.A N SER 150.A O no hydrogen 2.917 N/A ASN 8.A ND2 CYS 29.A O no hydrogen 3.012 N/A GLY 9.A N GLY 151.A O no hydrogen 2.905 N/A SER 11.A N ASP 153.A OD2 no hydrogen 2.899 N/A SER 11.A OG ASP 153.A OD1 no hydrogen 3.301 N/A SER 11.A OG ASP 153.A OD2 no hydrogen 2.778 N/A LEU 12.A N GLY 9.A O no hydrogen 3.062 N/A LYS 13.A N PRO 10.A O no hydrogen 3.093 N/A GLU 14.A N SER 11.A O no hydrogen 2.833 N/A ASP 16.A N LEU 198.A O no hydrogen 3.052 N/A TYR 17.A OH TYR 39.A O no hydrogen 2.646 N/A SER 18.A N ASP 16.A OD1 no hydrogen 3.166 N/A SER 18.A OG ASP 16.A OD1 no hydrogen 2.732 N/A ARG 19.A N ASP 16.A O no hydrogen 3.010 N/A ARG 19.A NE ASP 16.A OD2 no hydrogen 2.787 N/A ARG 19.A NH1 ALA 211.A O no hydrogen 2.874 N/A LEU 20.A N TYR 17.A O no hydrogen 3.317 N/A PHE 24.A N ASP 23.A OD1 no hydrogen 2.955 N/A ASP 25.A N LYS 2.A O no hydrogen 3.127 N/A PHE 27.A N ILE 4.A O no hydrogen 2.961 N/A ARG 28.A N ALA 46.A O no hydrogen 3.048 N/A ARG 28.A NH1 GLU 35.A OE1 no hydrogen 3.001 N/A ARG 28.A NH2 GLU 35.A OE1 no hydrogen 3.306 N/A ARG 28.A NH2 GLU 35.A OE2 no hydrogen 3.396 N/A ASN 30.A N PHE 48.A O no hydrogen 2.897 N/A PHE 32.A N CYS 29.A O no hydrogen 3.125 N/A TYR 33.A OH GLN 57.A OE1 no hydrogen 2.784 N/A PHE 34.A N GLN 31.A O no hydrogen 2.956 N/A GLU 35.A N PHE 32.A O no hydrogen 3.043 N/A TYR 38.A N GLN 221.A O no hydrogen 2.882 N/A TYR 38.A OH GLU 69.A O no hydrogen 2.765 N/A TYR 39.A N LYS 37.A O no hydrogen 2.914 N/A TYR 39.A OH ASP 36.A OD1 no hydrogen 2.680 N/A GLY 41.A N TYR 38.A O no hydrogen 3.108 N/A LYS 42.A NZ GLN 68.A O no hydrogen 3.188 N/A CYS 44.A N GLU 71.A O no hydrogen 2.758 N/A LYS 45.A N VAL 26.A O no hydrogen 2.808 N/A LYS 45.A NZ GLU 73.A OE1 no hydrogen 3.217 N/A LYS 45.A NZ GLU 73.A OE2 no hydrogen 3.072 N/A ALA 46.A N VAL 26.A O no hydrogen 3.416 N/A VAL 47.A N LEU 74.A O no hydrogen 3.131 N/A PHE 48.A N ARG 28.A O no hydrogen 2.917 N/A TYR 49.A N MET 76.A O no hydrogen 2.943 N/A LEU 53.A N ASN 50.A O no hydrogen 3.305 N/A PHE 54.A N PRO 51.A O no hydrogen 3.309 N/A GLU 56.A N GLU 56.A OE1 no hydrogen 2.798 N/A GLN 57.A N LEU 53.A O no hydrogen 2.881 N/A GLN 57.A NE2 GLN 31.A OE1 no hydrogen 2.753 N/A TYR 58.A N PHE 54.A O no hydrogen 2.850 N/A TYR 58.A OH ASP 100.A OD1 no hydrogen 2.599 N/A TYR 58.A OH ASP 100.A OD2 no hydrogen 3.418 N/A THR 60.A N GLU 56.A O no hydrogen 2.981 N/A THR 60.A OG1 GLU 56.A O no hydrogen 2.892 N/A LEU 61.A N GLN 57.A O no hydrogen 2.802 N/A LYS 62.A N TYR 58.A O no hydrogen 3.108 N/A LYS 62.A NZ ASP 100.A OD2 no hydrogen 2.741 N/A HIS 63.A N TYR 59.A O no hydrogen 3.383 N/A HIS 63.A ND1.B TYR 59.A O no hydrogen 2.794 N/A LEU 64.A N THR 60.A O no hydrogen 3.008 N/A ILE 65.A N LEU 61.A O no hydrogen 2.998 N/A GLN 66.A N LYS 62.A O no hydrogen 3.092 N/A ASN 67.A N HIS 63.A O no hydrogen 2.905 N/A ASN 67.A ND2 GLU 69.A OE2 no hydrogen 2.894 N/A GLN 68.A N ILE 65.A O no hydrogen 3.056 N/A GLU 69.A N LEU 64.A O no hydrogen 2.879 N/A TYR 70.A OH GLU 35.A OE2 no hydrogen 2.465 N/A GLU 71.A N LYS 42.A O no hydrogen 3.026 N/A THR 72.A OG1 CYS 44.A O no hydrogen 3.522 N/A THR 72.A OG1 LEU 74.A O no hydrogen 2.886 N/A GLU 73.A N CYS 44.A O no hydrogen 3.283 N/A LEU 74.A N LYS 45.A O no hydrogen 2.886 N/A MET 76.A N VAL 47.A O no hydrogen 2.800 N/A CYS 77.A N HIS 102.A O no hydrogen 2.922 N/A CYS 77.A SG TYR 49.A O no hydrogen 3.858 N/A SER 78.A N TYR 49.A O no hydrogen 2.891 N/A SER 78.A OG.A TYR 49.A O no hydrogen 3.133 N/A SER 78.A OG.A ASN 50.A OD1 no hydrogen 2.888 N/A ASN 79.A N CYS 77.A O no hydrogen 3.043 N/A ASN 79.A ND2 GLU 86.A OE2 no hydrogen 3.296 N/A TYR 80.A N GLU 86.A OE1 no hydrogen 3.110 N/A ASN 81.A N GLU 86.A OE2 no hydrogen 2.881 N/A HIS 84.A NE2 GLU 122.A OE2 no hydrogen 2.823 N/A LEU 85.A N GLN 82.A O no hydrogen 2.971 N/A GLU 86.A N GLN 82.A O no hydrogen 3.161 N/A ASN 87.A ND2 LYS 243.A O no hydrogen 3.451 N/A ASN 89.A ND2 ASN 244.A OD1 no hydrogen 2.655 N/A PHE 90.A N ASN 87.A OD1 no hydrogen 2.789 N/A VAL 91.A N ASN 87.A O no hydrogen 3.307 N/A LYS 92.A N GLU 88.A O no hydrogen 3.007 N/A THR 93.A N ASN 89.A O no hydrogen 3.025 N/A THR 93.A OG1 ASN 89.A O no hydrogen 2.872 N/A PHE 94.A N VAL 91.A O no hydrogen 3.421 N/A TYR 95.A OH ASP 106.A OD2 no hydrogen 2.655 N/A ASP 96.A N THR 93.A O no hydrogen 2.975 N/A TYR 97.A N THR 93.A O no hydrogen 3.240 N/A TYR 97.A N PHE 94.A O no hydrogen 3.202 N/A PHE 98.A N PHE 94.A O no hydrogen 2.886 N/A ALA 101.A N PHE 98.A O no hydrogen 3.009 N/A HIS 102.A N ILE 75.A O no hydrogen 2.773 N/A LEU 103.A N TYR 95.A OH no hydrogen 3.051 N/A GLY 104.A N CYS 77.A O no hydrogen 2.681 N/A TYR 105.A N ASN 79.A OD1 no hydrogen 3.051 N/A ASP 106.A N LEU 103.A O no hydrogen 3.067 N/A PHE 107.A N GLY 104.A O no hydrogen 2.961 N/A PHE 108.A N GLY 104.A O no hydrogen 2.934 N/A LYS 109.A N TYR 105.A O no hydrogen 2.951 N/A LYS 109.A NZ ASP 106.A OD1 no hydrogen 3.252 N/A GLN 110.A N PHE 107.A O no hydrogen 3.006 N/A GLN 110.A NE2 ASP 106.A O no hydrogen 3.052 N/A LEU 111.A N PHE 108.A O no hydrogen 3.052 N/A PHE 114.A N TYR 191.A OH no hydrogen 3.282 N/A ASN 115.A N LEU 111.A O no hydrogen 2.904 N/A ASN 115.A ND2 TYR 105.A OH no hydrogen 2.984 N/A ALA 116.A N LYS 112.A O no hydrogen 2.970 N/A TYR 117.A N ASP 113.A O no hydrogen 3.008 N/A PHE 118.A N PHE 114.A O no hydrogen 2.790 N/A LYS 119.A N ASN 115.A O no hydrogen 2.941 N/A LYS 119.A NZ TYR 80.A O no hydrogen 3.030 N/A LYS 119.A NZ ASN 115.A OD1 no hydrogen 3.029 N/A PHE 120.A N ALA 116.A O no hydrogen 3.049 N/A HIS 121.A N TYR 117.A O no hydrogen 3.372 N/A HIS 121.A ND1 TYR 117.A O no hydrogen 2.832 N/A GLU 122.A N PHE 118.A O no hydrogen 2.961 N/A ILE 123.A N LYS 119.A O no hydrogen 2.972 N/A TYR 124.A N PHE 120.A O no hydrogen 3.124 N/A PHE 125.A N HIS 121.A O no hydrogen 3.114 N/A ASN 126.A N GLU 122.A O no hydrogen 3.250 N/A GLN 127.A N HIS 121.A O no hydrogen 3.046 N/A ARG 128.A NE GLU 122.A OE1 no hydrogen 2.992 N/A ARG 128.A NH1 GLU 122.A OE2 no hydrogen 3.105 N/A THR 130.A N ASP 180.A OD1 no hydrogen 3.100 N/A THR 130.A OG1 ASP 180.A OD1 no hydrogen 3.463 N/A THR 130.A OG1 ASP 180.A OD2 no hydrogen 2.610 N/A TYR 134.A N THR 130.A O no hydrogen 3.075 N/A TYR 134.A OH ASN 79.A O no hydrogen 2.812 N/A MET 135.A N SER 131.A O no hydrogen 2.929 N/A CYS 136.A N GLY 132.A O no hydrogen 3.353 N/A CYS 136.A SG GLY 132.A O no hydrogen 3.519 N/A ALA 137.A N VAL 133.A O no hydrogen 3.099 N/A VAL 138.A N TYR 134.A O no hydrogen 3.072 N/A ALA 139.A N MET 135.A O no hydrogen 2.931 N/A ILE 140.A N CYS 136.A O no hydrogen 3.006 N/A ALA 141.A N ALA 137.A O no hydrogen 2.985 N/A LEU 142.A N VAL 138.A O no hydrogen 2.979 N/A GLY 143.A N ILE 140.A O no hydrogen 3.051 N/A TYR 144.A N ALA 139.A O no hydrogen 3.085 N/A TYR 144.A OH ASP 25.A OD2 no hydrogen 2.675 N/A LYS 145.A N LYS 1.A O no hydrogen 3.193 N/A ILE 147.A N LYS 194.A O no hydrogen 2.855 N/A TYR 148.A N VAL 3.A O no hydrogen 2.813 N/A LEU 149.A N TYR 196.A O no hydrogen 2.817 N/A SER 150.A N ILE 5.A O no hydrogen 3.016 N/A SER 157.A OG GLN 156.A OE1 no hydrogen 2.953 N/A ALA 160.A N ASN 8.A O no hydrogen 2.959 N/A LYS 164.A N ASP 162.A OD1 no hydrogen 2.911 N/A GLN 165.A N THR 163.A O no hydrogen 2.942 N/A GLN 165.A NE2 ASP 162.A O no hydrogen 3.150 N/A ASN 167.A N ASP 229.A OD2 no hydrogen 2.815 N/A ASN 167.A ND2 ILE 230.A O no hydrogen 2.811 N/A LEU 168.A N ASP 229.A OD1 no hydrogen 3.212 N/A LEU 169.A N GLN 165.A O no hydrogen 2.956 N/A LYS 170.A N LYS 166.A O no hydrogen 3.015 N/A LYS 170.A NZ ASN 167.A OD1 no hydrogen 3.012 N/A LEU 171.A N ASN 167.A O no hydrogen 3.016 N/A ALA 172.A N LEU 168.A O no hydrogen 2.678 N/A PHE 175.A N ALA 172.A O no hydrogen 3.338 N/A THR 179.A N SER 176.A O no hydrogen 2.828 N/A THR 179.A OG1 SER 176.A O no hydrogen 3.438 N/A ILE 181.A N LYS 177.A O no hydrogen 3.088 N/A LYS 182.A N ASN 178.A O no hydrogen 2.957 N/A ALA 183.A N THR 179.A O no hydrogen 3.115 N/A LEU 184.A N ASP 180.A O no hydrogen 2.966 N/A GLU 185.A N ILE 181.A O no hydrogen 3.061 N/A PHE 186.A N LYS 182.A O no hydrogen 3.095 N/A LEU 187.A N ALA 183.A O no hydrogen 2.995 N/A GLU 188.A N LEU 184.A O no hydrogen 3.007 N/A LYS 189.A N GLU 185.A O no hydrogen 3.038 N/A THR 190.A N PHE 186.A O no hydrogen 2.885 N/A THR 190.A OG1 PHE 186.A O no hydrogen 2.715 N/A TYR 191.A N LEU 187.A O no hydrogen 3.022 N/A LYS 192.A N GLU 188.A O no hydrogen 3.108 N/A LYS 194.A N LYS 145.A O no hydrogen 2.901 N/A LEU 195.A N GLU 188.A OE2 no hydrogen 2.879 N/A TYR 196.A N ILE 147.A O no hydrogen 2.817 N/A TYR 196.A OH GLU 146.A OE2 no hydrogen 3.377 N/A CYS 197.A N GLY 209.A O no hydrogen 3.003 N/A CYS 197.A SG CYS 199.A O no hydrogen 3.419 N/A LEU 198.A N LEU 149.A O no hydrogen 3.001 N/A CYS 199.A SG SER 11.A O no hydrogen 3.485 N/A SER 202.A N CYS 199.A O no hydrogen 2.984 N/A SER 202.A OG ILE 152.A O no hydrogen 3.198 N/A SER 202.A OG ASP 153.A OD1 no hydrogen 3.108 N/A LEU 204.A N SER 202.A OG no hydrogen 3.144 N/A ALA 205.A N SER 202.A O no hydrogen 3.129 N/A ASN 206.A N LEU 203.A O no hydrogen 2.967 N/A PHE 207.A N LEU 204.A O no hydrogen 2.932 N/A ILE 208.A N LEU 204.A O no hydrogen 3.022 N/A ALA 211.A N CYS 197.A O no hydrogen 2.997 N/A LEU 214.A N SER 18.A O no hydrogen 2.880 N/A ASN 215.A N ASN 213.A OD1 no hydrogen 2.775 N/A SER 216.A N SER 18.A O no hydrogen 3.438 N/A SER 216.A OG LEU 20.A O no hydrogen 2.702 N/A LYS 223.A N ASP 36.A O no hydrogen 3.353 N/A LYS 223.A NZ TYR 33.A O no hydrogen 2.849 N/A LYS 223.A NZ GLU 35.A O no hydrogen 2.823 N/A LYS 223.A NZ TYR 70.A OH no hydrogen 2.910 N/A THR 227.A N GLU 69.A OE1 no hydrogen 2.971 N/A THR 227.A OG1 GLU 69.A OE2 no hydrogen 2.612 N/A ILE 230.A N ASP 229.A OD1 no hydrogen 2.838 N/A LEU 231.A N THR 60.A OG1 no hydrogen 2.957 N/A ALA 237.A N SER 234.A OG no hydrogen 3.054 N/A TYR 238.A N SER 234.A O no hydrogen 3.114 N/A TYR 238.A OH GLU 56.A OE2 no hydrogen 2.614 N/A GLY 239.A N SER 235.A O no hydrogen 2.999 N/A LYS 240.A N GLU 236.A O no hydrogen 3.126 N/A PHE 241.A N ALA 237.A O no hydrogen 3.131 N/A PHE 241.A N TYR 238.A O no hydrogen 3.135 N/A SER 242.A N GLY 239.A O no hydrogen 3.433 N/A SER 242.A OG GLY 239.A O no hydrogen 3.264 N/A ASN 244.A N PHE 241.A O no hydrogen 2.833 N/A