Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4e0r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.557 N/A THR 4.A N ASP 29.A OD1 no hydrogen 2.802 N/A LEU 5.A N CYS 99.A O no hydrogen 2.992 N/A ARG 6.A N TYR 27.A O no hydrogen 2.861 N/A ARG 6.A NH1 ASP 100.A OD1 no hydrogen 2.663 N/A ARG 6.A NH1 ASP 100.A OD2 no hydrogen 3.149 N/A ARG 6.A NH2 LEU 5.A O no hydrogen 3.072 N/A ARG 6.A NH2 CYS 99.A O no hydrogen 3.349 N/A ARG 6.A NH2 ASP 100.A OD1 no hydrogen 2.604 N/A TYR 7.A N PHE 97.A O no hydrogen 2.788 N/A ILE 8.A N VAL 25.A O no hydrogen 3.106 N/A ARG 9.A N TRP 95.A O no hydrogen 2.768 N/A THR 10.A N VAL 23.A O no hydrogen 2.888 N/A ALA 11.A N VAL 93.A O no hydrogen 2.843 N/A MET 12.A N TRP 21.A O no hydrogen 2.904 N/A THR 13.A N HIS 91.A O no hydrogen 3.005 N/A THR 13.A OG1 GLY 89.A O no hydrogen 2.773 N/A THR 13.A OG1 HIS 91.A O no hydrogen 3.543 N/A GLN 19.A N GLY 16.A O no hydrogen 2.968 N/A PHE 22.A N SER 38.A OG no hydrogen 3.028 N/A VAL 23.A N THR 10.A O no hydrogen 2.944 N/A THR 24.A N TYR 36.A O no hydrogen 2.771 N/A VAL 25.A N ILE 8.A O no hydrogen 3.267 N/A GLY 26.A N VAL 34.A O no hydrogen 2.999 N/A TYR 27.A N ARG 6.A O no hydrogen 2.734 N/A VAL 28.A N GLU 31.A O no hydrogen 2.932 N/A ASP 29.A N THR 4.A O no hydrogen 2.800 N/A GLU 31.A N VAL 28.A O no hydrogen 3.071 N/A PHE 33.A N GLY 26.A O no hydrogen 2.936 N/A VAL 34.A N GLY 26.A O no hydrogen 3.511 N/A HIS 35.A N VAL 44.A O no hydrogen 2.943 N/A TYR 36.A N THR 24.A O no hydrogen 2.770 N/A TYR 36.A OH GLU 70.A OE1 no hydrogen 2.915 N/A SER 38.A N PHE 22.A O no hydrogen 2.843 N/A SER 38.A OG PHE 22.A O no hydrogen 3.372 N/A THR 39.A N ASN 37.A OD1 no hydrogen 2.809 N/A ALA 40.A N ASN 37.A OD1 no hydrogen 2.682 N/A ARG 41.A N ASN 37.A O no hydrogen 2.893 N/A ARG 41.A NH2 GLU 70.A OE2 no hydrogen 3.118 N/A TYR 43.A N THR 63.A OG1 no hydrogen 2.968 N/A VAL 44.A N HIS 35.A O no hydrogen 2.829 N/A ARG 46.A N PHE 33.A O no hydrogen 2.733 N/A ILE 50.A N THR 47.A OG1 no hydrogen 3.242 N/A ALA 51.A N THR 47.A O no hydrogen 3.445 N/A ALA 52.A N GLU 48.A O no hydrogen 2.968 N/A ASN 53.A N ILE 50.A O no hydrogen 3.422 N/A ASN 53.A ND2 TRP 49.A O no hydrogen 2.929 N/A THR 54.A OG1 ILE 50.A O no hydrogen 2.756 N/A GLN 56.A NE2 ASP 60.A OD1 no hydrogen 2.871 N/A GLN 57.A NE2 ASP 55.A OD1 no hydrogen 3.056 N/A TYR 58.A N ASP 55.A O no hydrogen 2.948 N/A TYR 58.A N ASP 55.A OD2 no hydrogen 3.332 N/A TYR 58.A OH TYR 168.A OH no hydrogen 2.864 N/A ASP 60.A N GLN 56.A O no hydrogen 2.920 N/A GLY 61.A N GLN 57.A O no hydrogen 3.059 N/A GLN 62.A N TYR 58.A O no hydrogen 3.070 N/A THR 63.A N TRP 59.A O no hydrogen 2.836 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.722 N/A GLN 64.A N ASP 60.A O no hydrogen 3.135 N/A ILE 65.A N GLY 61.A O no hydrogen 2.836 N/A GLY 66.A N GLN 62.A O no hydrogen 2.903 N/A GLN 67.A N THR 63.A O no hydrogen 2.893 N/A LEU 68.A N GLN 64.A O no hydrogen 2.940 N/A ASN 69.A N ILE 65.A O no hydrogen 2.800 N/A GLU 70.A N GLY 66.A O no hydrogen 2.839 N/A GLN 71.A N GLN 67.A O no hydrogen 3.282 N/A GLN 71.A NE2 GLU 75.A OE1 no hydrogen 2.947 N/A ILE 72.A N LEU 68.A O no hydrogen 2.972 N/A ASN 73.A N ASN 69.A O no hydrogen 2.767 N/A ARG 74.A N GLU 70.A O no hydrogen 2.991 N/A ARG 74.A NH1 GLN 71.A OE1 no hydrogen 3.072 N/A GLU 75.A N GLN 71.A O no hydrogen 3.164 N/A ASN 76.A N ILE 72.A O no hydrogen 2.993 N/A LEU 77.A N ASN 73.A O no hydrogen 2.956 N/A GLY 78.A N ARG 74.A O no hydrogen 3.338 N/A ILE 79.A N GLU 75.A O no hydrogen 2.917 N/A ARG 80.A N ASN 76.A O no hydrogen 2.945 N/A ARG 80.A NH1 SER 113.A OG no hydrogen 3.150 N/A ARG 80.A NH1 ALA 114.A O no hydrogen 2.983 N/A ARG 80.A NH2 SER 113.A OG no hydrogen 2.828 N/A GLN 81.A N LEU 77.A O no hydrogen 3.091 N/A ARG 82.A N GLY 78.A O no hydrogen 3.006 N/A ARG 83.A N ILE 79.A O no hydrogen 2.992 N/A TYR 84.A N ARG 80.A O no hydrogen 3.034 N/A TYR 84.A N GLN 81.A O no hydrogen 3.103 N/A ASN 85.A N ARG 82.A O no hydrogen 2.948 N/A GLN 86.A N GLN 81.A O no hydrogen 2.757 N/A HIS 91.A N THR 13.A OG1 no hydrogen 2.837 N/A HIS 91.A ND1 ASP 116.A OD2 no hydrogen 2.883 N/A HIS 91.A NE2 GLY 88.A O no hydrogen 2.861 N/A THR 92.A N ASP 116.A OD1 no hydrogen 2.965 N/A VAL 93.A N ALA 11.A O no hydrogen 2.781 N/A GLN 94.A N ALA 114.A O no hydrogen 3.114 N/A TRP 95.A N ARG 9.A O no hydrogen 2.936 N/A MET 96.A N GLN 112.A O no hydrogen 2.930 N/A PHE 97.A N TYR 7.A O no hydrogen 3.041 N/A GLY 98.A N TYR 110.A O no hydrogen 3.121 N/A CYS 99.A N LEU 5.A O no hydrogen 2.998 N/A ASP 100.A N ARG 108.A O no hydrogen 2.900 N/A ILE 101.A N HIS 3.A O no hydrogen 2.813 N/A LEU 102.A N THR 106.A O no hydrogen 3.012 N/A GLY 105.A N LEU 102.A O no hydrogen 2.965 N/A ARG 108.A N ASP 100.A O no hydrogen 3.097 N/A ARG 108.A NH2 ASP 100.A OD2 no hydrogen 3.208 N/A TYR 110.A N GLY 98.A O no hydrogen 3.069 N/A TYR 110.A OH ASP 100.A OD2 no hydrogen 2.852 N/A GLN 112.A N MET 96.A O no hydrogen 2.911 N/A SER 113.A N ILE 121.A O no hydrogen 2.710 N/A SER 113.A OG GLN 94.A O no hydrogen 2.902 N/A ALA 114.A N GLN 94.A O no hydrogen 2.940 N/A TYR 115.A N ARG 118.A O no hydrogen 2.679 N/A TYR 115.A OH GLN 86.A OE1 no hydrogen 2.293 N/A ASP 116.A N THR 92.A O no hydrogen 2.831 N/A ARG 118.A N TYR 115.A O no hydrogen 3.228 N/A PHE 120.A N SER 113.A O no hydrogen 2.936 N/A ILE 121.A N SER 113.A O no hydrogen 3.357 N/A ALA 122.A N THR 131.A O no hydrogen 3.214 N/A LEU 123.A N ARG 111.A O no hydrogen 2.925 N/A ASP 124.A N THR 129.A O no hydrogen 3.152 N/A MET 127.A N ASP 124.A O no hydrogen 2.748 N/A LYS 128.A N ASP 126.A OD2 no hydrogen 2.857 N/A THR 129.A N ASP 124.A OD1 no hydrogen 3.293 N/A THR 129.A OG1 ASP 124.A OD1 no hydrogen 2.844 N/A THR 129.A OG1 ASP 124.A OD2 no hydrogen 2.608 N/A PHE 130.A N GLU 145.A OE1 no hydrogen 2.863 N/A THR 131.A N ALA 122.A O no hydrogen 2.814 N/A THR 131.A OG1 ASP 124.A OD2 no hydrogen 3.052 N/A ALA 133.A N PHE 120.A O no hydrogen 2.972 N/A GLU 136.A N GLU 136.A OE1 no hydrogen 2.732 N/A ALA 137.A N VAL 134.A O no hydrogen 2.865 N/A VAL 138.A N PRO 135.A O no hydrogen 3.154 N/A LYS 141.A N ALA 137.A O no hydrogen 2.965 N/A LYS 141.A NZ PHE 130.A O no hydrogen 2.927 N/A LYS 141.A NZ GLU 145.A OE1 no hydrogen 2.569 N/A LYS 141.A NZ GLU 145.A OE2 no hydrogen 3.301 N/A ARG 142.A N VAL 138.A O no hydrogen 3.095 N/A LYS 143.A N PRO 139.A O no hydrogen 2.981 N/A LYS 143.A NZ GLU 147.A OE1 no hydrogen 3.034 N/A LYS 143.A NZ GLU 147.A OE2 no hydrogen 2.935 N/A TRP 144.A N THR 140.A O no hydrogen 2.912 N/A GLU 145.A N LYS 141.A O no hydrogen 3.131 N/A GLU 146.A N ARG 142.A O no hydrogen 3.083 N/A GLU 147.A N TRP 144.A O no hydrogen 2.962 N/A SER 148.A N GLU 145.A O no hydrogen 3.364 N/A GLU 149.A N TRP 144.A O no hydrogen 2.954 N/A ARG 152.A N SER 148.A O no hydrogen 3.268 N/A ARG 152.A NH1 GLU 149.A OE2 no hydrogen 3.146 N/A TRP 153.A N GLU 149.A O no hydrogen 2.925 N/A LYS 154.A N PRO 150.A O no hydrogen 2.819 N/A LYS 154.A NZ GLU 158.A OE1 no hydrogen 3.514 N/A ASN 155.A N GLU 151.A O no hydrogen 3.043 N/A TYR 156.A N ARG 152.A O no hydrogen 3.145 N/A LEU 157.A N TRP 153.A O no hydrogen 2.861 N/A GLU 158.A N LYS 154.A O no hydrogen 2.967 N/A GLU 159.A N ASN 155.A O no hydrogen 3.021 N/A CYS 161.A N TYR 156.A O no hydrogen 2.642 N/A GLU 163.A N GLU 159.A O no hydrogen 2.784 N/A TRP 164.A N THR 160.A O no hydrogen 2.996 N/A LEU 165.A N CYS 161.A O no hydrogen 2.947 N/A ARG 166.A N VAL 162.A O no hydrogen 2.998 N/A ARG 167.A N GLU 163.A O no hydrogen 3.392 N/A TYR 168.A N TRP 164.A O no hydrogen 2.926 N/A TYR 168.A OH TYR 58.A OH no hydrogen 2.864 N/A VAL 169.A N LEU 165.A O no hydrogen 2.914 N/A GLU 170.A N ARG 166.A O no hydrogen 3.156 N/A TYR 171.A N ARG 167.A O no hydrogen 2.863 N/A GLY 172.A N TYR 168.A O no hydrogen 2.941 N/A LYS 173.A N GLU 170.A O no hydrogen 3.438 N/A LEU 176.A N GLY 172.A O no hydrogen 2.705 N/A GLY 177.A N LYS 173.A O no hydrogen 2.958 N/A ARG 178.A N GLU 175.A O no hydrogen 3.285 N/A ARG 178.A NE GLU 180.A OE2 no hydrogen 2.602 N/A ARG 178.A NH1 GLU 175.A O no hydrogen 2.900 N/A ARG 178.A NH2 GLU 180.A OE2 no hydrogen 2.857 N/A ARG 178.A NH2 GLY 235.A O no hydrogen 3.238 N/A ARG 179.A NH1 ALA 260.A O no hydrogen 3.147 N/A GLU 180.A N TYR 205.A O no hydrogen 2.842 N/A ARG 181.A NE SER 261.A O no hydrogen 2.747 N/A GLU 183.A N HIS 202.A O no hydrogen 2.964 N/A ARG 185.A N ARG 200.A O no hydrogen 3.149 N/A TRP 187.A N SER 198.A O no hydrogen 2.892 N/A LYS 189.A N THR 196.A O no hydrogen 2.870 N/A LEU 195.A N ALA 245.A O no hydrogen 2.743 N/A THR 196.A N LYS 189.A O no hydrogen 3.077 N/A LEU 197.A N ILE 243.A O no hydrogen 2.836 N/A SER 198.A N TRP 187.A O no hydrogen 2.886 N/A SER 198.A OG TRP 187.A O no hydrogen 3.157 N/A CYS 199.A N VAL 241.A O no hydrogen 2.810 N/A ARG 200.A N ARG 185.A O no hydrogen 3.075 N/A ARG 200.A NH1 HIS 238.A NE2 no hydrogen 3.119 N/A ALA 201.A N THR 239.A O no hydrogen 2.884 N/A HIS 202.A N GLU 183.A O no hydrogen 2.985 N/A GLY 203.A N TYR 237.A O no hydrogen 2.904 N/A PHE 204.A N TYR 237.A O no hydrogen 3.211 N/A TYR 205.A N GLU 180.A O no hydrogen 3.139 N/A TYR 205.A OH LEU 176.A O no hydrogen 3.142 N/A VAL 210.A N GLU 258.A O no hydrogen 3.124 N/A SER 212.A N ARG 256.A O no hydrogen 2.993 N/A TRP 213.A NE1 VAL 241.A O no hydrogen 2.850 N/A LEU 214.A N GLN 254.A O no hydrogen 2.664 N/A LYS 215.A N ALA 218.A O no hydrogen 2.730 N/A ASP 216.A N LYS 252.A O no hydrogen 2.573 N/A ARG 220.A N TRP 213.A O no hydrogen 2.857 N/A HIS 225.A N THR 242.A O no hydrogen 2.835 N/A GLY 227.A N TRP 240.A O no hydrogen 3.084 N/A GLY 228.A N SER 226.A OG no hydrogen 3.012 N/A VAL 230.A N HIS 238.A O no hydrogen 2.808 N/A ASN 232.A N THR 236.A O no hydrogen 2.791 N/A ASN 232.A ND2 THR 236.A OG1 no hydrogen 2.895 N/A THR 236.A N ASP 234.A OD1 no hydrogen 3.214 N/A THR 236.A OG1 ASP 234.A OD1 no hydrogen 2.672 N/A TYR 237.A N PHE 204.A O no hydrogen 2.949 N/A TYR 237.A OH GLU 31.A OE2 no hydrogen 2.592 N/A HIS 238.A N VAL 230.A O no hydrogen 2.620 N/A THR 239.A N ALA 201.A O no hydrogen 3.249 N/A THR 239.A OG1 GLY 228.A O no hydrogen 2.881 N/A VAL 241.A N CYS 199.A O no hydrogen 2.855 N/A THR 242.A N HIS 225.A O no hydrogen 2.869 N/A THR 242.A OG1 HIS 225.A O no hydrogen 3.493 N/A ILE 243.A N LEU 197.A O no hydrogen 2.829 N/A ALA 245.A N LEU 195.A O no hydrogen 2.565 N/A GLN 254.A N LEU 214.A O no hydrogen 2.891 N/A CYS 255.A N TYR 268.A O no hydrogen 2.771 N/A CYS 255.A SG SER 212.A O no hydrogen 3.772 N/A ARG 256.A N SER 212.A O no hydrogen 2.773 N/A VAL 257.A N GLY 266.A O no hydrogen 2.819 N/A GLU 258.A N VAL 210.A O no hydrogen 2.869 N/A HIS 259.A ND1 SER 261.A OG no hydrogen 2.751 N/A HIS 259.A NE2 PRO 206.A O no hydrogen 2.957 N/A SER 261.A N HIS 259.A ND1 no hydrogen 3.212 N/A SER 261.A OG GLU 180.A O no hydrogen 3.468 N/A SER 261.A OG HIS 259.A ND1 no hydrogen 2.751 N/A LEU 262.A N HIS 259.A O no hydrogen 3.030 N/A GLY 266.A N VAL 257.A O no hydrogen 2.860 N/A TYR 268.A N CYS 255.A O no hydrogen 2.857 N/A