Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fup_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 TYR 71.A OH no hydrogen 3.200 N/A GLU 3.A N TYR 26.A OH no hydrogen 3.489 N/A ARG 5.A NE GLU 3.A OE1 no hydrogen 2.840 N/A ARG 5.A NH2 GLU 3.A OE1 no hydrogen 2.897 N/A HIS 6.A N GLU 3.A O no hydrogen 3.055 N/A LEU 7.A N GLU 4.A O no hydrogen 3.268 N/A LYS 8.A N ARG 25.A O no hydrogen 2.950 N/A LYS 8.A NZ ASP 27.A OD2 no hydrogen 2.731 N/A LEU 10.A N MET 23.A O no hydrogen 2.539 N/A GLN 11.A N MET 23.A O no hydrogen 3.099 N/A GLN 11.A NE2 GLN 12.A O no hydrogen 3.136 N/A GLN 12.A NE2 SER 20.A OG no hydrogen 2.826 N/A LEU 13.A N VAL 21.A O no hydrogen 2.570 N/A GLY 14.A N VAL 21.A O no hydrogen 3.271 N/A GLY 16.A N GLY 19.A O no hydrogen 2.921 N/A GLY 19.A N GLY 16.A O no hydrogen 3.042 N/A SER 20.A N LYS 41.A O no hydrogen 2.839 N/A SER 20.A OG GLY 14.A O no hydrogen 3.500 N/A VAL 21.A N GLY 14.A O no hydrogen 2.856 N/A GLU 22.A N VAL 39.A O no hydrogen 2.865 N/A MET 23.A N GLN 11.A O no hydrogen 2.606 N/A CYS 24.A N VAL 37.A O no hydrogen 3.140 N/A CYS 24.A SG GLU 22.A OE1 no hydrogen 3.898 N/A ARG 25.A N LYS 8.A O no hydrogen 2.850 N/A ARG 25.A NE GLY 34.A O no hydrogen 3.045 N/A ARG 25.A NH2 GLY 34.A O no hydrogen 3.288 N/A TYR 26.A N GLU 35.A O no hydrogen 2.927 N/A ASP 27.A N HIS 6.A O no hydrogen 2.700 N/A GLN 30.A N ASP 27.A O no hydrogen 2.788 N/A GLN 30.A NE2 ASP 27.A O no hydrogen 3.002 N/A ASN 32.A N ASP 27.A OD2 no hydrogen 2.764 N/A THR 33.A N ASP 27.A OD1 no hydrogen 3.308 N/A THR 33.A N ASP 31.A OD1 no hydrogen 3.040 N/A THR 33.A OG1 ASP 31.A OD1 no hydrogen 2.495 N/A THR 33.A OG1 ASP 31.A OD2 no hydrogen 2.710 N/A GLU 35.A N TYR 26.A O no hydrogen 2.892 N/A VAL 37.A N CYS 24.A O no hydrogen 2.827 N/A ALA 38.A N MET 83.A O no hydrogen 3.006 N/A VAL 39.A N GLU 22.A O no hydrogen 2.921 N/A LYS 40.A N LEU 81.A O no hydrogen 2.835 N/A LYS 40.A NZ GLU 56.A OE2 no hydrogen 2.813 N/A LYS 40.A NZ ASP 148.A OD1 no hydrogen 2.825 N/A LYS 41.A N SER 20.A O no hydrogen 3.037 N/A GLN 43.A N PHE 18.A O no hydrogen 3.339 N/A THR 46.A OG1 HIS 49.A ND1 no hydrogen 2.968 N/A HIS 49.A ND1 THR 46.A OG1 no hydrogen 2.968 N/A LEU 50.A N GLU 47.A O no hydrogen 3.354 N/A ARG 51.A N GLU 47.A O no hydrogen 2.972 N/A ASP 52.A N GLU 48.A O no hydrogen 3.092 N/A PHE 53.A N HIS 49.A O no hydrogen 3.014 N/A GLU 54.A N LEU 50.A O no hydrogen 2.755 N/A GLU 56.A N ASP 52.A O no hydrogen 3.042 N/A ILE 57.A N PHE 53.A O no hydrogen 2.929 N/A GLU 58.A N GLU 54.A O no hydrogen 3.160 N/A ILE 59.A N ARG 55.A O no hydrogen 2.756 N/A LEU 60.A N GLU 56.A O no hydrogen 2.924 N/A LYS 61.A N ILE 57.A O no hydrogen 2.938 N/A SER 62.A N GLU 58.A O no hydrogen 3.076 N/A SER 62.A N ILE 59.A O no hydrogen 3.026 N/A SER 62.A OG ILE 59.A O no hydrogen 2.598 N/A SER 62.A OG TYR 126.A OH no hydrogen 2.840 N/A LEU 63.A N LEU 60.A O no hydrogen 2.935 N/A GLN 64.A N TYR 120.A OH no hydrogen 2.825 N/A ASN 67.A N HIS 65.A ND1 no hydrogen 2.802 N/A ILE 68.A N HIS 65.A O no hydrogen 3.045 N/A VAL 69.A N ILE 146.A O no hydrogen 2.788 N/A LYS 72.A N ILE 82.A O no hydrogen 2.705 N/A LYS 72.A NZ GLU 35.A OE2 no hydrogen 3.000 N/A GLY 73.A N ILE 82.A O no hydrogen 3.175 N/A CYS 75.A N LYS 80.A O no hydrogen 2.822 N/A CYS 75.A SG PHE 2.A O no hydrogen 3.628 N/A SER 77.A N GLU 4.A OE1 no hydrogen 3.113 N/A LYS 80.A N CYS 75.A O no hydrogen 2.736 N/A LEU 81.A N LYS 40.A O no hydrogen 2.803 N/A ILE 82.A N GLY 73.A O no hydrogen 2.837 N/A MET 83.A N ALA 38.A O no hydrogen 2.731 N/A GLU 84.A N LYS 70.A O no hydrogen 2.893 N/A GLY 89.A N LEU 86.A O no hydrogen 3.304 N/A LEU 91.A N ILE 136.A O no hydrogen 2.705 N/A ARG 92.A N THR 133.A O no hydrogen 3.287 N/A ASP 93.A N SER 90.A OG no hydrogen 3.200 N/A TYR 94.A N SER 90.A O no hydrogen 2.894 N/A LEU 95.A N LEU 91.A O no hydrogen 2.830 N/A GLN 96.A N ARG 92.A O no hydrogen 3.206 N/A LYS 97.A N ASP 93.A O no hydrogen 3.039 N/A HIS 98.A ND1 TYR 94.A O no hydrogen 3.225 N/A ARG 101.A N HIS 98.A O no hydrogen 3.181 N/A ILE 102.A N LYS 99.A O no hydrogen 3.011 N/A LYS 106.A NZ GLU 141.A OE1 no hydrogen 3.019 N/A LEU 107.A N ASP 103.A O no hydrogen 3.137 N/A LEU 108.A N HIS 104.A O no hydrogen 2.984 N/A GLN 109.A N ILE 105.A O no hydrogen 3.055 N/A TYR 110.A N LYS 106.A O no hydrogen 2.937 N/A TYR 110.A OH GLU 141.A O no hydrogen 2.478 N/A THR 111.A N LEU 107.A O no hydrogen 2.913 N/A THR 111.A OG1 LEU 107.A O no hydrogen 2.447 N/A SER 112.A N LEU 108.A O no hydrogen 2.855 N/A SER 112.A OG ASP 276.A OD1 no hydrogen 2.520 N/A GLN 113.A N GLN 109.A O no hydrogen 3.078 N/A GLN 113.A NE2 ASN 142.A O no hydrogen 2.870 N/A ILE 114.A N TYR 110.A O no hydrogen 2.768 N/A CYS 115.A N THR 111.A O no hydrogen 3.067 N/A CYS 115.A SG THR 111.A O no hydrogen 3.399 N/A LYS 116.A N SER 112.A O no hydrogen 3.110 N/A GLY 117.A N GLN 113.A O no hydrogen 3.124 N/A MET 118.A N ILE 114.A O no hydrogen 2.917 N/A GLU 119.A N CYS 115.A O no hydrogen 2.771 N/A TYR 120.A N LYS 116.A O no hydrogen 3.189 N/A LEU 121.A N GLY 117.A O no hydrogen 3.109 N/A GLY 122.A N MET 118.A O no hydrogen 3.081 N/A THR 123.A N GLU 119.A O no hydrogen 2.971 N/A LYS 124.A N LEU 121.A O no hydrogen 2.766 N/A LYS 124.A NZ SER 62.A O no hydrogen 3.129 N/A ARG 125.A N GLY 122.A O no hydrogen 3.086 N/A ARG 125.A NH1 GLU 160.A OE2 no hydrogen 2.623 N/A ARG 125.A NH2 PRO 156.A O no hydrogen 2.876 N/A ARG 125.A NH2 LYS 159.A O no hydrogen 2.888 N/A ARG 125.A NH2 GLU 160.A OE2 no hydrogen 3.469 N/A TYR 126.A N LEU 121.A O no hydrogen 3.189 N/A TYR 126.A OH SER 62.A OG no hydrogen 2.840 N/A ILE 127.A N LYS 153.A O no hydrogen 2.788 N/A HIS 128.A N ASP 188.A OD2 no hydrogen 2.893 N/A ARG 129.A N ASP 188.A OD1 no hydrogen 3.048 N/A ARG 129.A NH1 LEU 151.A O no hydrogen 2.913 N/A ARG 129.A NH1 GLU 164.A OE2 no hydrogen 3.272 N/A THR 133.A N GLU 198.A OE2 no hydrogen 3.045 N/A THR 133.A OG1 GLU 198.A OE1 no hydrogen 2.790 N/A ARG 134.A NH1 ASP 130.A OD1 no hydrogen 3.429 N/A ARG 134.A NH2 ASP 130.A OD1 no hydrogen 3.444 N/A ASN 135.A N ALA 132.A O no hydrogen 2.825 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.767 N/A ILE 136.A N THR 133.A O no hydrogen 3.103 N/A LEU 137.A N LYS 145.A O no hydrogen 2.684 N/A VAL 138.A N GLY 89.A O no hydrogen 2.931 N/A GLU 139.A N ARG 143.A O no hydrogen 2.715 N/A ASN 140.A N ARG 143.A O no hydrogen 3.454 N/A ASN 142.A N ASN 140.A OD1 no hydrogen 2.782 N/A ARG 143.A N ASN 140.A O no hydrogen 3.254 N/A VAL 144.A N GLN 113.A OE1 no hydrogen 2.729 N/A LYS 145.A N LEU 137.A O no hydrogen 2.781 N/A LYS 145.A NZ GLU 84.A OE2 no hydrogen 2.543 N/A ILE 146.A N ASN 67.A O no hydrogen 2.869 N/A GLY 147.A N ASN 135.A O no hydrogen 2.834 N/A GLY 150.A N ASP 148.A OD2 no hydrogen 3.069 N/A THR 152.A N PHE 149.A O no hydrogen 3.198 N/A THR 152.A OG1 HIS 128.A O no hydrogen 3.359 N/A LYS 153.A N ILE 127.A O no hydrogen 2.868 N/A VAL 162.A N SER 181.A O no hydrogen 3.125 N/A SER 168.A OG TYR 173.A OH no hydrogen 3.055 N/A ILE 170.A N SER 168.A O no hydrogen 2.783 N/A TRP 172.A N PRO 169.A O no hydrogen 3.091 N/A TRP 172.A NE1 GLU 198.A OE2 no hydrogen 2.878 N/A TYR 173.A N ILE 170.A O no hydrogen 3.205 N/A TYR 173.A OH SER 168.A OG no hydrogen 3.055 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.795 N/A SER 177.A N ALA 174.A O no hydrogen 2.953 N/A SER 177.A OG LYS 182.A O no hydrogen 2.610 N/A LEU 178.A N ALA 174.A O no hydrogen 3.194 N/A LEU 178.A N PRO 175.A O no hydrogen 3.014 N/A THR 179.A N PRO 175.A O no hydrogen 2.980 N/A THR 179.A OG1 PRO 175.A O no hydrogen 3.004 N/A GLU 180.A N GLU 176.A O no hydrogen 2.755 N/A SER 181.A N SER 177.A O no hydrogen 3.224 N/A LYS 182.A N GLU 176.A O no hydrogen 3.407 N/A SER 184.A N SER 187.A OG no hydrogen 3.013 N/A SER 187.A N SER 184.A OG no hydrogen 3.186 N/A SER 187.A OG SER 184.A O no hydrogen 3.011 N/A ASP 188.A N SER 184.A O no hydrogen 2.932 N/A VAL 189.A N VAL 185.A O no hydrogen 2.881 N/A TRP 190.A N ALA 186.A O no hydrogen 2.988 N/A SER 191.A N SER 187.A O no hydrogen 3.133 N/A SER 191.A OG TRP 172.A O no hydrogen 2.771 N/A SER 191.A OG SER 187.A O no hydrogen 3.340 N/A PHE 192.A N ASP 188.A O no hydrogen 2.664 N/A GLY 193.A N VAL 189.A O no hydrogen 3.077 N/A VAL 194.A N TRP 190.A O no hydrogen 3.335 N/A VAL 195.A N SER 191.A O no hydrogen 2.943 N/A LEU 196.A N PHE 192.A O no hydrogen 2.944 N/A TYR 197.A N GLY 193.A O no hydrogen 2.905 N/A TYR 197.A OH LYS 207.A O no hydrogen 2.546 N/A GLU 198.A N VAL 194.A O no hydrogen 2.901 N/A LEU 199.A N VAL 195.A O no hydrogen 2.935 N/A PHE 200.A N LEU 196.A O no hydrogen 3.083 N/A THR 201.A N TYR 197.A O no hydrogen 2.929 N/A THR 201.A N GLU 198.A O no hydrogen 3.125 N/A THR 201.A OG1 GLU 198.A O no hydrogen 2.720 N/A TYR 202.A N LEU 199.A O no hydrogen 2.951 N/A TYR 202.A OH ILE 102.A O no hydrogen 2.802 N/A ILE 203.A N THR 201.A OG1 no hydrogen 3.174 N/A GLU 204.A N THR 201.A O no hydrogen 3.135 N/A LYS 207.A N GLU 204.A O no hydrogen 2.828 N/A SER 208.A N LYS 205.A O no hydrogen 3.304 N/A ALA 211.A N SER 208.A OG no hydrogen 3.259 N/A GLU 212.A N SER 208.A O no hydrogen 2.820 N/A PHE 213.A N PRO 209.A O no hydrogen 2.765 N/A MET 214.A N PRO 210.A O no hydrogen 2.616 N/A ARG 215.A N ALA 211.A O no hydrogen 2.876 N/A ARG 215.A NH1 SER 206.A O no hydrogen 3.229 N/A ARG 215.A NH2 SER 206.A O no hydrogen 3.168 N/A MET 216.A N GLU 212.A O no hydrogen 2.892 N/A ILE 217.A N PHE 213.A O no hydrogen 2.753 N/A GLY 218.A N MET 214.A O no hydrogen 2.743 N/A LYS 221.A N GLY 218.A O no hydrogen 2.791 N/A HIS 229.A N MET 225.A O no hydrogen 2.719 N/A LEU 230.A N ILE 226.A O no hydrogen 2.970 N/A ILE 231.A N VAL 227.A O no hydrogen 2.984 N/A GLU 232.A N PHE 228.A O no hydrogen 2.974 N/A LEU 233.A N HIS 229.A O no hydrogen 2.886 N/A LEU 234.A N LEU 230.A O no hydrogen 3.045 N/A LYS 235.A N ILE 231.A O no hydrogen 3.047 N/A LYS 235.A NZ GLU 232.A OE2 no hydrogen 3.383 N/A ASN 236.A N GLU 232.A O no hydrogen 2.859 N/A ASN 237.A N LEU 234.A O no hydrogen 3.054 N/A GLY 238.A N LEU 233.A O no hydrogen 2.828 N/A ARG 239.A NE TRP 258.A O no hydrogen 2.921 N/A ARG 239.A NH1 LEU 234.A O no hydrogen 2.976 N/A ARG 239.A NH1 GLY 238.A O no hydrogen 2.823 N/A ARG 239.A NH2 TRP 258.A O no hydrogen 2.923 N/A ARG 242.A NE CYS 246.A O no hydrogen 2.854 N/A ARG 242.A NH2 CYS 246.A O no hydrogen 3.011 N/A CYS 246.A N PRO 243.A O no hydrogen 2.761 N/A CYS 246.A SG PRO 247.A O no hydrogen 3.441 N/A ILE 250.A N PRO 247.A O no hydrogen 2.839 N/A TYR 251.A N PRO 247.A O no hydrogen 2.977 N/A TYR 251.A OH LEU 240.A O no hydrogen 2.852 N/A MET 252.A N ASP 248.A O no hydrogen 2.899 N/A ILE 253.A N GLU 249.A O no hydrogen 3.413 N/A MET 254.A N ILE 250.A O no hydrogen 3.157 N/A THR 255.A N TYR 251.A O no hydrogen 2.858 N/A THR 255.A OG1 TYR 251.A O no hydrogen 3.200 N/A THR 255.A OG1 MET 252.A O no hydrogen 3.050 N/A GLU 256.A N MET 252.A O no hydrogen 2.925 N/A CYS 257.A N ILE 253.A O no hydrogen 3.012 N/A CYS 257.A N MET 254.A O no hydrogen 2.989 N/A CYS 257.A SG ILE 253.A O no hydrogen 3.269 N/A TRP 258.A N MET 254.A O no hydrogen 3.082 N/A ASN 259.A ND2 GLN 264.A OE1 no hydrogen 3.275 N/A ASN 260.A ND2 LEU 234.A O no hydrogen 3.277 N/A ASN 261.A N ASN 259.A OD1 no hydrogen 2.985 N/A GLN 264.A N ASN 261.A O no hydrogen 2.891 N/A ARG 265.A N VAL 262.A O no hydrogen 3.381 N/A ARG 265.A NE ASN 259.A O no hydrogen 2.609 N/A ARG 265.A NH1 GLU 176.A OE1 no hydrogen 3.474 N/A ARG 265.A NH1 GLU 176.A OE2 no hydrogen 2.731 N/A ARG 265.A NH1 ALA 186.A O no hydrogen 3.111 N/A ARG 265.A NH2 GLU 176.A OE1 no hydrogen 2.757 N/A ARG 265.A NH2 ASN 259.A O no hydrogen 2.773 N/A ASP 270.A N SER 267.A OG no hydrogen 3.148 N/A LEU 271.A N SER 267.A O no hydrogen 2.926 N/A ALA 272.A N PHE 268.A O no hydrogen 2.961 N/A LEU 273.A N ARG 269.A O no hydrogen 3.148 N/A ARG 274.A N ASP 270.A O no hydrogen 2.990 N/A ARG 274.A NH1 GLU 256.A OE1 no hydrogen 2.930 N/A ARG 274.A NH2 GLU 256.A OE1 no hydrogen 2.964 N/A ARG 274.A NH2 GLU 256.A OE2 no hydrogen 3.282 N/A VAL 275.A N LEU 271.A O no hydrogen 2.862 N/A ASP 276.A N ALA 272.A O no hydrogen 2.777 N/A GLN 277.A N ARG 274.A O no hydrogen 3.220 N/A ILE 278.A N ARG 274.A O no hydrogen 2.937 N/A ARG 279.A N VAL 275.A O no hydrogen 2.934 N/A ASP 280.A N ASP 276.A O no hydrogen 3.309 N/A GLN 281.A N GLN 277.A O no hydrogen 3.180 N/A MET 282.A N ILE 278.A O no hydrogen 3.240 N/A MET 282.A N ARG 279.A O no hydrogen 2.887 N/A ALA 283.A N ASP 280.A O no hydrogen 2.873 N/A GLY 284.A N ASP 280.A O no hydrogen 3.369 N/A