Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mci_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A OG TYR 2.A O no hydrogen 2.792 N/A SER 6.A OG PHE 3.A O no hydrogen 2.876 N/A SER 6.A OG GLN 4.A O no hydrogen 3.340 N/A LYS 7.A N GLN 4.A O no hydrogen 2.707 N/A LYS 7.A NZ ASP 14.A OD2 no hydrogen 2.636 N/A LYS 7.A NZ GLN 17.A OE1 no hydrogen 3.002 N/A GLN 8.A N VAL 13.A O no hydrogen 2.910 N/A HIS 10.A N GLU 78.A OE1 no hydrogen 2.988 N/A HIS 10.A ND1 GLU 78.A OE2 no hydrogen 2.705 N/A ILE 11.A N GLU 78.A OE1 no hydrogen 2.971 N/A CYS 12.A N GLN 8.A O no hydrogen 3.077 N/A CYS 12.A SG GLN 8.A O no hydrogen 3.993 N/A CYS 12.A SG PRO 9.A O no hydrogen 4.035 N/A CYS 12.A SG HIS 10.A O no hydrogen 3.619 N/A ASP 14.A N GLN 17.A OE1 no hydrogen 2.989 N/A ASN 16.A N ASP 14.A OD1 no hydrogen 2.955 N/A GLN 17.A N ASP 14.A O no hydrogen 2.981 N/A VAL 18.A N ASP 14.A O no hydrogen 3.233 N/A SER 19.A N THR 62.A OG1 no hydrogen 2.901 N/A SER 19.A OG TYR 21.A O no hydrogen 3.414 N/A SER 19.A OG THR 60.A O no hydrogen 2.623 N/A TYR 21.A N SER 19.A OG no hydrogen 3.017 N/A VAL 22.A N HIS 86.A O no hydrogen 2.931 N/A ILE 23.A N THR 62.A O no hydrogen 2.846 N/A VAL 24.A N ILE 88.A O no hydrogen 3.093 N/A CYS 25.A N CYS 64.A O no hydrogen 3.080 N/A CYS 25.A SG GLU 27.A O no hydrogen 3.658 N/A ARG 30.A N GLU 27.A O no hydrogen 2.998 N/A ARG 30.A NE GLU 222.A OE1 no hydrogen 2.958 N/A VAL 31.A N PRO 28.A O no hydrogen 3.064 N/A ARG 33.A NE GLU 222.A OE2 no hydrogen 2.762 N/A ARG 33.A NH1 GLU 27.A OE1 no hydrogen 2.939 N/A ARG 33.A NH1 GLU 222.A OE1 no hydrogen 2.762 N/A ARG 33.A NH1 GLU 222.A OE2 no hydrogen 3.518 N/A ILE 34.A N ARG 30.A O no hydrogen 2.783 N/A VAL 35.A N VAL 31.A O no hydrogen 3.003 N/A LEU 37.A N ILE 34.A O no hydrogen 2.914 N/A ASP 38.A N VAL 55.A O no hydrogen 2.912 N/A GLU 41.A N ASN 53.A O no hydrogen 2.946 N/A LEU 43.A N VAL 51.A O no hydrogen 2.776 N/A ALA 44.A N VAL 51.A O no hydrogen 3.194 N/A ASN 46.A N TYR 49.A O no hydrogen 2.940 N/A ASN 46.A ND2 HIS 10.A O no hydrogen 3.025 N/A GLU 48.A N GLU 48.A OE2 no hydrogen 2.774 N/A TYR 49.A N ASN 46.A O no hydrogen 2.827 N/A TYR 49.A OH SER 72.A O no hydrogen 2.787 N/A ARG 50.A N SER 65.A OG no hydrogen 2.772 N/A ARG 50.A NE GLU 45.A OE1 no hydrogen 2.714 N/A ARG 50.A NE GLU 45.A OE2 no hydrogen 3.467 N/A ARG 50.A NH1 ASP 29.A OD1 no hydrogen 2.789 N/A ARG 50.A NH1 ASN 32.A OD1 no hydrogen 2.937 N/A ARG 50.A NH2 GLU 45.A OE2 no hydrogen 2.998 N/A VAL 51.A N ALA 44.A O no hydrogen 2.820 N/A PHE 52.A N ILE 63.A O no hydrogen 2.874 N/A ASN 53.A N GLU 41.A O no hydrogen 2.941 N/A ASN 53.A ND2 GLN 17.A O no hydrogen 2.823 N/A GLY 54.A N ILE 61.A O no hydrogen 3.100 N/A VAL 55.A N ASP 38.A O no hydrogen 2.736 N/A TYR 56.A N THR 59.A O no hydrogen 2.948 N/A TYR 56.A OH GLU 231.A OE1 no hydrogen 2.703 N/A LYS 57.A NZ GLU 231.A OE1 no hydrogen 2.691 N/A LYS 57.A NZ GLU 231.A OE2 no hydrogen 3.285 N/A THR 59.A N TYR 56.A O no hydrogen 3.159 N/A THR 59.A OG1 CYS 234.A O no hydrogen 3.514 N/A ILE 61.A N GLY 54.A O no hydrogen 2.857 N/A THR 62.A N TYR 21.A O no hydrogen 2.951 N/A THR 62.A OG1 ASN 53.A OD1 no hydrogen 2.699 N/A ILE 63.A N PHE 52.A O no hydrogen 2.709 N/A CYS 64.A N ILE 23.A O no hydrogen 2.899 N/A CYS 64.A SG SER 65.A O no hydrogen 3.489 N/A SER 65.A N ARG 50.A O no hydrogen 2.992 N/A SER 65.A OG GLU 48.A O no hydrogen 2.704 N/A THR 66.A N CYS 25.A O no hydrogen 2.739 N/A THR 66.A OG1 CYS 25.A O no hydrogen 3.539 N/A GLY 67.A N GLY 26.A O no hydrogen 2.892 N/A GLY 69.A N GLU 181.A OE2 no hydrogen 2.830 N/A SER 72.A OG THR 66.A O no hydrogen 2.700 N/A SER 72.A OG ILE 68.A O no hydrogen 3.263 N/A SER 72.A OG GLY 69.A O no hydrogen 3.407 N/A ILE 74.A N PRO 71.A O no hydrogen 3.214 N/A ALA 75.A N SER 72.A O no hydrogen 3.345 N/A GLU 77.A N ILE 73.A O no hydrogen 2.904 N/A GLU 78.A N ILE 74.A O no hydrogen 3.052 N/A LEU 79.A N ALA 75.A O no hydrogen 2.795 N/A LYS 80.A N VAL 76.A O no hydrogen 2.999 N/A LYS 80.A NZ ARG 192.A O no hydrogen 3.081 N/A LEU 81.A N GLU 77.A O no hydrogen 3.077 N/A CYS 82.A N GLU 78.A O no hydrogen 3.003 N/A CYS 82.A N LEU 79.A O no hydrogen 2.967 N/A CYS 82.A SG VAL 13.A O no hydrogen 3.594 N/A CYS 82.A SG GLU 78.A O no hydrogen 3.382 N/A GLY 83.A N LYS 80.A O no hydrogen 2.937 N/A ALA 84.A N LEU 79.A O no hydrogen 3.047 N/A THR 85.A N PRO 20.A O no hydrogen 2.825 N/A THR 85.A OG1 PRO 20.A O no hydrogen 3.156 N/A THR 85.A OG1 HIS 86.A ND1 no hydrogen 2.672 N/A HIS 86.A N PRO 20.A O no hydrogen 2.865 N/A HIS 86.A ND1 THR 85.A OG1 no hydrogen 2.672 N/A VAL 87.A N GLN 195.A O no hydrogen 2.763 N/A ILE 88.A N VAL 22.A O no hydrogen 2.922 N/A ARG 89.A N ALA 197.A O no hydrogen 2.892 N/A ARG 89.A NE ASP 180.A OD2 no hydrogen 2.963 N/A ARG 89.A NE THR 182.A OG1 no hydrogen 3.356 N/A ARG 89.A NH1 ASP 180.A OD2 no hydrogen 2.895 N/A VAL 90.A N VAL 24.A O no hydrogen 2.874 N/A GLY 91.A N ILE 199.A O no hydrogen 2.996 N/A ALA 93.A N ASN 201.A O no hydrogen 2.909 N/A GLY 94.A N ALA 179.A O no hydrogen 3.055 N/A ALA 95.A N VAL 204.A O no hydrogen 2.904 N/A GLN 96.A NE2 ASN 172.A O no hydrogen 2.961 N/A GLN 96.A NE2 ILE 176.A O no hydrogen 2.872 N/A GLN 100.A N GLU 103.A OE1 no hydrogen 3.011 N/A GLY 102.A N ASN 202.A O no hydrogen 2.795 N/A GLU 103.A N GLN 100.A O no hydrogen 3.183 N/A LEU 104.A N LYS 147.A O no hydrogen 3.237 N/A ILE 105.A N LEU 200.A O no hydrogen 2.773 N/A VAL 106.A N TYR 149.A O no hydrogen 2.745 N/A ALA 107.A N SER 198.A O no hydrogen 3.113 N/A GLU 108.A N GLY 151.A O no hydrogen 2.794 N/A GLY 109.A N GLY 151.A O no hydrogen 3.498 N/A ALA 110.A N ALA 127.A O no hydrogen 2.915 N/A VAL 111.A N VAL 153.A O no hydrogen 2.793 N/A ARG 112.A NE SER 117.A OG no hydrogen 2.930 N/A ARG 112.A NH1 SER 122.A O no hydrogen 2.784 N/A ARG 112.A NH1 TYR 125.A O no hydrogen 2.838 N/A ARG 112.A NH2 SER 117.A OG no hydrogen 3.230 N/A ARG 112.A NH2 ILE 121.A O no hydrogen 2.861 N/A GLY 115.A N ASP 157.A OD2 no hydrogen 2.886 N/A SER 117.A N GLU 114.A OE1 no hydrogen 2.951 N/A SER 117.A OG GLU 114.A OE1 no hydrogen 3.543 N/A SER 117.A OG GLU 114.A OE2 no hydrogen 2.545 N/A LYS 118.A NZ ARG 112.A O no hydrogen 3.179 N/A LYS 118.A NZ GLU 114.A O no hydrogen 3.292 N/A ALA 119.A N GLY 115.A O no hydrogen 3.180 N/A ALA 119.A N GLY 116.A O no hydrogen 3.225 N/A TYR 120.A N SER 117.A O no hydrogen 2.949 N/A TYR 120.A OH GLU 77.A OE1 no hydrogen 2.528 N/A ILE 121.A N SER 117.A O no hydrogen 3.188 N/A ALA 124.A N SER 122.A OG no hydrogen 3.222 N/A TYR 125.A N SER 122.A O no hydrogen 3.123 N/A ALA 129.A N GLU 108.A O no hydrogen 2.803 N/A SER 130.A N VAL 196.A O no hydrogen 2.837 N/A LEU 133.A N SER 130.A O no hydrogen 3.167 N/A LEU 134.A N SER 130.A O no hydrogen 2.953 N/A LYS 135.A N PHE 131.A O no hydrogen 2.869 N/A ILE 137.A N LEU 133.A O no hydrogen 2.848 N/A SER 138.A N LEU 134.A O no hydrogen 2.820 N/A HIS 139.A N LYS 135.A O no hydrogen 2.997 N/A PHE 140.A N GLU 136.A O no hydrogen 3.105 N/A LEU 141.A N ILE 137.A O no hydrogen 2.995 N/A GLU 142.A N SER 138.A O no hydrogen 3.002 N/A ASN 143.A N PHE 140.A O no hydrogen 3.369 N/A GLN 144.A N LEU 141.A O no hydrogen 3.175 N/A GLN 144.A NE2 LEU 141.A O no hydrogen 2.727 N/A GLN 144.A NE2 VAL 146.A O no hydrogen 3.032 N/A VAL 146.A N GLN 144.A OE1 no hydrogen 2.803 N/A LYS 147.A NZ TYR 149.A OH no hydrogen 3.335 N/A TYR 149.A N LEU 104.A O no hydrogen 2.906 N/A TYR 149.A OH GLU 103.A OE1 no hydrogen 2.715 N/A GLY 151.A N VAL 106.A O no hydrogen 3.161 N/A VAL 153.A N GLY 109.A O no hydrogen 3.082 N/A ARG 154.A N GLY 178.A O no hydrogen 2.963 N/A ARG 154.A NE ASP 113.A OD2 no hydrogen 2.638 N/A ARG 154.A NH2 ASP 113.A OD2 no hydrogen 3.313 N/A SER 155.A N VAL 111.A O no hydrogen 3.063 N/A SER 155.A OG ASP 180.A OD1 no hydrogen 2.875 N/A HIS 156.A N ASP 180.A O no hydrogen 3.137 N/A TYR 160.A N SER 158.A OG no hydrogen 2.989 N/A GLU 164.A N THR 161.A O no hydrogen 3.214 N/A LEU 167.A N GLU 163.A O no hydrogen 2.936 N/A CYS 168.A N GLU 164.A O no hydrogen 2.912 N/A CYS 168.A SG GLU 164.A O no hydrogen 3.366 N/A CYS 168.A SG GLU 164.A OE2 no hydrogen 3.616 N/A GLN 169.A N ASP 165.A O no hydrogen 3.128 N/A TYR 170.A N GLN 166.A O no hydrogen 3.005 N/A TRP 171.A N LEU 167.A O no hydrogen 2.891 N/A ASN 172.A N CYS 168.A O no hydrogen 2.872 N/A LYS 173.A N GLN 169.A O no hydrogen 3.106 N/A LYS 174.A N TYR 170.A O no hydrogen 3.168 N/A GLY 175.A N ASN 172.A O no hydrogen 3.038 N/A ILE 176.A N TRP 171.A O no hydrogen 3.190 N/A LEU 177.A N VAL 152.A O no hydrogen 2.769 N/A ALA 179.A N GLY 94.A O no hydrogen 2.907 N/A ASP 180.A N ARG 154.A O no hydrogen 2.956 N/A THR 182.A N ASP 180.A OD1 no hydrogen 3.219 N/A THR 182.A OG1 ASP 180.A OD1 no hydrogen 3.525 N/A THR 182.A OG1 ASP 180.A OD2 no hydrogen 2.493 N/A THR 182.A OG1 SER 198.A OG no hydrogen 2.856 N/A SER 183.A N SER 155.A OG no hydrogen 2.896 N/A SER 183.A OG GLU 114.A OE2 no hydrogen 2.528 N/A LEU 185.A N GLU 181.A O no hydrogen 3.149 N/A PHE 186.A N THR 182.A O no hydrogen 3.012 N/A THR 187.A N SER 183.A O no hydrogen 2.933 N/A THR 187.A OG1 SER 183.A O no hydrogen 2.805 N/A VAL 188.A N ALA 184.A O no hydrogen 2.991 N/A GLY 189.A N LEU 185.A O no hydrogen 2.822 N/A ARG 190.A N PHE 186.A O no hydrogen 3.275 N/A ARG 190.A NH2 TYR 128.A O no hydrogen 2.746 N/A ARG 190.A NH2 SER 130.A OG no hydrogen 3.168 N/A LEU 191.A N THR 187.A O no hydrogen 3.031 N/A ARG 192.A N VAL 188.A O no hydrogen 2.961 N/A ARG 192.A NE GLU 77.A OE1 no hydrogen 3.403 N/A ARG 192.A NE GLU 77.A OE2 no hydrogen 2.693 N/A ARG 192.A NH1 GLU 77.A OE1 no hydrogen 2.935 N/A ARG 192.A NH1 GLU 77.A OE2 no hydrogen 3.549 N/A GLY 193.A N ARG 190.A O no hydrogen 2.899 N/A LEU 194.A N GLY 189.A O no hydrogen 2.860 N/A GLN 195.A N THR 85.A O no hydrogen 2.936 N/A VAL 196.A N SER 130.A OG no hydrogen 3.116 N/A ALA 197.A N VAL 87.A O no hydrogen 3.252 N/A SER 198.A OG THR 182.A OG1 no hydrogen 2.856 N/A ILE 199.A N ARG 89.A O no hydrogen 2.814 N/A LEU 200.A N ILE 105.A O no hydrogen 2.800 N/A ASN 201.A N GLY 91.A O no hydrogen 2.832 N/A ASN 202.A N GLU 103.A O no hydrogen 2.916 N/A ASN 202.A ND2 GLN 100.A O no hydrogen 3.102 N/A ASN 202.A ND2 VAL 204.A O no hydrogen 3.187 N/A VAL 203.A N ALA 93.A O no hydrogen 2.896 N/A VAL 204.A N ASN 202.A OD1 no hydrogen 3.517 N/A GLN 212.A NE2 GLN 212.A O no hydrogen 3.616 N/A GLN 212.A NE2 ASP 216.A OD1 no hydrogen 2.691 N/A TYR 213.A N GLY 209.A O no hydrogen 3.097 N/A VAL 214.A N VAL 210.A O no hydrogen 2.969 N/A ASN 215.A N ASN 211.A O no hydrogen 2.880 N/A ASP 216.A N GLN 212.A O no hydrogen 2.714 N/A ASN 217.A N TYR 213.A O no hydrogen 3.002 N/A LYS 218.A N VAL 214.A O no hydrogen 3.012 N/A ALA 219.A N ASN 215.A O no hydrogen 2.911 N/A GLY 221.A N ALA 219.A O no hydrogen 2.901 N/A LEU 224.A N ASN 220.A O no hydrogen 2.898 N/A ALA 225.A N GLY 221.A O no hydrogen 2.833 N/A ALA 226.A N GLU 222.A O no hydrogen 3.005 N/A ILE 227.A N ARG 223.A O no hydrogen 2.967 N/A THR 228.A N LEU 224.A O no hydrogen 2.956 N/A THR 228.A OG1 LEU 224.A O no hydrogen 2.603 N/A ALA 229.A N ALA 225.A O no hydrogen 3.112 N/A LEU 230.A N ALA 226.A O no hydrogen 2.942 N/A GLU 231.A N ILE 227.A O no hydrogen 2.835 N/A THR 232.A N THR 228.A O no hydrogen 2.990 N/A THR 232.A OG1 THR 228.A O no hydrogen 2.693 N/A LEU 233.A N ALA 229.A O no hydrogen 2.872 N/A CYS 234.A N LEU 230.A O no hydrogen 3.008 N/A CYS 234.A SG LEU 230.A O no hydrogen 3.465 N/A CYS 234.A SG GLU 231.A O no hydrogen 3.349 N/A LYS 235.A N THR 232.A O no hydrogen 3.347 N/A LYS 235.A NZ GLU 136.A OE2 no hydrogen 3.544 N/A GLN 236.A N LEU 233.A O no hydrogen 3.343 N/A GLN 236.A NE2 THR 232.A O no hydrogen 3.158 N/A