Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e63_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ASP 1.A OD2 no hydrogen 3.164 N/A THR 3.A OG1 ASP 1.A OD1 no hydrogen 3.441 N/A THR 3.A OG1 ASP 1.A OD2 no hydrogen 2.616 N/A GLN 4.A N ASP 1.A O no hydrogen 3.112 N/A PHE 5.A N VAL 77.A O no hydrogen 3.392 N/A GLU 6.A N TYR 29.A OH no hydrogen 3.250 N/A ARG 8.A N GLU 6.A OE2 no hydrogen 3.080 N/A HIS 9.A N GLU 6.A O no hydrogen 3.151 N/A LEU 10.A N GLU 7.A O no hydrogen 2.942 N/A LYS 11.A N ARG 28.A O no hydrogen 2.873 N/A LYS 11.A NZ ASP 30.A OD2 no hydrogen 2.866 N/A LYS 11.A NZ ASN 35.A OD1 no hydrogen 3.184 N/A LEU 13.A N MET 26.A O no hydrogen 2.874 N/A GLN 14.A N MET 26.A O no hydrogen 3.233 N/A GLN 14.A NE2 GLN 15.A O no hydrogen 3.401 N/A LEU 16.A N VAL 24.A O no hydrogen 2.753 N/A LYS 18.A NZ GLN 46.A OE1 no hydrogen 3.080 N/A GLY 19.A N GLY 22.A O no hydrogen 2.793 N/A GLY 22.A N GLY 19.A O no hydrogen 3.147 N/A SER 23.A N LYS 44.A O no hydrogen 2.772 N/A VAL 24.A N GLY 17.A O no hydrogen 2.892 N/A GLU 25.A N VAL 42.A O no hydrogen 2.954 N/A MET 26.A N GLN 14.A O no hydrogen 2.805 N/A CYS 27.A N VAL 40.A O no hydrogen 2.923 N/A CYS 27.A SG GLU 25.A O no hydrogen 4.027 N/A ARG 28.A N LYS 11.A O no hydrogen 2.835 N/A ARG 28.A NH1 GLY 37.A O no hydrogen 2.882 N/A TYR 29.A N GLU 38.A O no hydrogen 2.776 N/A ASP 30.A N HIS 9.A O no hydrogen 2.864 N/A GLN 33.A N ASP 30.A O no hydrogen 2.903 N/A ASN 35.A N ASP 30.A OD2 no hydrogen 2.675 N/A THR 36.A N ASP 34.A OD1 no hydrogen 3.123 N/A THR 36.A OG1 ASP 34.A OD1 no hydrogen 2.647 N/A THR 36.A OG1 ASP 34.A OD2 no hydrogen 3.395 N/A GLY 37.A N ASP 30.A OD1 no hydrogen 2.905 N/A VAL 40.A N CYS 27.A O no hydrogen 2.758 N/A ALA 41.A N MET 90.A O no hydrogen 2.934 N/A VAL 42.A N GLU 25.A O no hydrogen 2.772 N/A LYS 43.A N LEU 88.A O no hydrogen 2.795 N/A LYS 43.A NZ GLU 59.A OE2 no hydrogen 2.698 N/A LYS 43.A NZ ASP 155.A OD1 no hydrogen 2.857 N/A LYS 44.A N SER 23.A O no hydrogen 2.960 N/A GLN 46.A N PHE 21.A O no hydrogen 3.162 N/A HIS 52.A ND1 HIS 47.A O no hydrogen 2.961 N/A LEU 53.A N THR 49.A O no hydrogen 2.752 N/A ARG 54.A N GLU 50.A O no hydrogen 2.975 N/A ASP 55.A N GLU 51.A O no hydrogen 3.055 N/A PHE 56.A N HIS 52.A O no hydrogen 2.798 N/A GLU 57.A N LEU 53.A O no hydrogen 2.979 N/A ARG 58.A N ARG 54.A O no hydrogen 3.269 N/A GLU 59.A N ASP 55.A O no hydrogen 2.963 N/A ILE 60.A N PHE 56.A O no hydrogen 2.982 N/A GLU 61.A N GLU 57.A O no hydrogen 3.186 N/A ILE 62.A N ARG 58.A O no hydrogen 2.856 N/A LEU 63.A N GLU 59.A O no hydrogen 2.947 N/A LYS 64.A N ILE 60.A O no hydrogen 2.874 N/A LYS 64.A NZ GLU 61.A OE1 no hydrogen 2.862 N/A SER 65.A N GLU 61.A O no hydrogen 3.053 N/A SER 65.A N ILE 62.A O no hydrogen 3.131 N/A SER 65.A OG GLU 61.A O no hydrogen 3.441 N/A SER 65.A OG ILE 62.A O no hydrogen 2.602 N/A SER 65.A OG TYR 133.A OH no hydrogen 2.755 N/A LEU 66.A N LEU 63.A O no hydrogen 3.092 N/A GLN 67.A N TYR 127.A OH no hydrogen 2.809 N/A ASN 70.A N HIS 68.A ND1 no hydrogen 2.838 N/A ASN 70.A ND2 VAL 151.A O no hydrogen 3.142 N/A ILE 71.A N HIS 68.A O no hydrogen 3.110 N/A VAL 72.A N ILE 153.A O no hydrogen 2.980 N/A LYS 73.A N GLU 91.A OE2 no hydrogen 3.005 N/A LYS 75.A N ILE 89.A O no hydrogen 2.861 N/A LYS 75.A NZ GLU 38.A OE1 no hydrogen 2.791 N/A LYS 75.A NZ GLU 38.A OE2 no hydrogen 3.500 N/A GLY 76.A N ILE 89.A O no hydrogen 3.229 N/A VAL 77.A N THR 3.A O no hydrogen 3.185 N/A CYS 78.A N LYS 87.A O no hydrogen 2.879 N/A CYS 78.A SG.A PHE 5.A O no hydrogen 3.228 N/A CYS 78.A SG.B PHE 5.A O no hydrogen 3.185 N/A SER 80.A N ASN 85.A O no hydrogen 2.956 N/A ARG 83.A NH1 SER 48.A O no hydrogen 3.244 N/A ARG 83.A NH2 SER 48.A OG no hydrogen 2.595 N/A ARG 84.A NH1 GLU 57.A OE2 no hydrogen 2.753 N/A ARG 84.A NH2 GLU 57.A OE1 no hydrogen 2.887 N/A ARG 84.A NH2 GLU 57.A OE2 no hydrogen 3.345 N/A ASN 85.A N SER 80.A OG no hydrogen 2.858 N/A LYS 87.A N CYS 78.A O no hydrogen 3.014 N/A LEU 88.A N LYS 43.A O no hydrogen 2.807 N/A ILE 89.A N GLY 76.A O no hydrogen 2.880 N/A MET 90.A N ALA 41.A O no hydrogen 2.833 N/A GLU 91.A N LYS 73.A O no hydrogen 3.052 N/A TYR 95.A N VAL 145.A O no hydrogen 3.301 N/A GLY 96.A N LEU 93.A O no hydrogen 3.415 N/A LEU 98.A N ILE 143.A O no hydrogen 2.777 N/A ARG 99.A N THR 140.A O no hydrogen 3.274 N/A ASP 100.A N SER 97.A OG no hydrogen 3.166 N/A TYR 101.A N SER 97.A O no hydrogen 2.970 N/A LEU 102.A N LEU 98.A O no hydrogen 2.861 N/A GLN 103.A N ARG 99.A O no hydrogen 3.050 N/A LYS 104.A N ASP 100.A O no hydrogen 2.941 N/A HIS 105.A N TYR 101.A O no hydrogen 2.991 N/A LYS 106.A N LEU 102.A O no hydrogen 2.716 N/A LYS 106.A NZ GLN 103.A O no hydrogen 2.805 N/A ARG 108.A N HIS 105.A O no hydrogen 3.140 N/A ILE 109.A N LYS 106.A O no hydrogen 2.973 N/A LYS 113.A N ASP 110.A OD1 no hydrogen 3.075 N/A LYS 113.A NZ GLN 116.A OE1 no hydrogen 3.170 N/A LYS 113.A NZ GLU 148.A O no hydrogen 3.387 N/A LEU 114.A N ASP 110.A O no hydrogen 2.915 N/A LEU 115.A N HIS 111.A O no hydrogen 2.925 N/A GLN 116.A N ILE 112.A O no hydrogen 3.112 N/A TYR 117.A N LYS 113.A O no hydrogen 3.060 N/A TYR 117.A OH GLU 148.A O no hydrogen 2.807 N/A THR 118.A N LEU 114.A O no hydrogen 2.928 N/A THR 118.A OG1 LEU 114.A O no hydrogen 2.714 N/A SER 119.A N LEU 115.A O no hydrogen 2.970 N/A SER 119.A OG ASP 283.A OD1 no hydrogen 2.613 N/A GLN 120.A N GLN 116.A O no hydrogen 3.128 N/A GLN 120.A NE2 ASN 149.A O no hydrogen 2.788 N/A ILE 121.A N TYR 117.A O no hydrogen 2.825 N/A CYS 122.A N THR 118.A O no hydrogen 2.790 N/A CYS 122.A SG.B PHE 275.A O no hydrogen 3.082 N/A LYS 123.A N SER 119.A O no hydrogen 2.881 N/A LYS 123.A NZ ASP 283.A OD2 no hydrogen 2.984 N/A GLY 124.A N GLN 120.A O no hydrogen 2.959 N/A MET 125.A N ILE 121.A O no hydrogen 3.010 N/A GLU 126.A N CYS 122.A O no hydrogen 2.900 N/A TYR 127.A N LYS 123.A O no hydrogen 3.080 N/A LEU 128.A N GLY 124.A O no hydrogen 3.112 N/A GLY 129.A N MET 125.A O no hydrogen 3.029 N/A THR 130.A N GLU 126.A O no hydrogen 3.210 N/A THR 130.A N TYR 127.A O no hydrogen 3.174 N/A THR 130.A OG1 TYR 127.A O no hydrogen 2.579 N/A LYS 131.A N LEU 128.A O no hydrogen 3.063 N/A LYS 131.A NZ SER 65.A O no hydrogen 2.770 N/A ARG 132.A N GLY 129.A O no hydrogen 3.074 N/A ARG 132.A NH1 GLU 167.A OE1 no hydrogen 3.396 N/A ARG 132.A NH1 GLU 167.A OE2 no hydrogen 3.423 N/A ARG 132.A NH2 PRO 163.A O no hydrogen 2.850 N/A ARG 132.A NH2 LYS 166.A O no hydrogen 2.723 N/A ARG 132.A NH2 GLU 167.A OE1 no hydrogen 3.500 N/A TYR 133.A N LEU 128.A O no hydrogen 3.366 N/A TYR 133.A OH SER 65.A OG no hydrogen 2.755 N/A ILE 134.A N LYS 160.A O no hydrogen 2.732 N/A HIS 135.A N ASP 195.A OD2 no hydrogen 2.786 N/A HIS 135.A NE2 ASP 155.A O no hydrogen 2.748 N/A ARG 136.A N ASP 195.A OD1 no hydrogen 3.006 N/A ARG 136.A NH1 LEU 158.A O no hydrogen 2.903 N/A ASP 137.A N HIS 135.A ND1 no hydrogen 3.228 N/A THR 140.A N GLU 205.A OE2 no hydrogen 2.971 N/A THR 140.A OG1 GLU 205.A OE1 no hydrogen 2.698 N/A ASN 142.A N ALA 139.A O no hydrogen 2.863 N/A ASN 142.A ND2 ASP 137.A O no hydrogen 2.649 N/A ILE 143.A N THR 140.A O no hydrogen 3.323 N/A LEU 144.A N LYS 152.A O no hydrogen 2.688 N/A VAL 145.A N GLY 96.A O no hydrogen 2.729 N/A GLU 146.A N ARG 150.A O no hydrogen 2.957 N/A ASN 147.A N ARG 150.A O no hydrogen 3.499 N/A ASN 149.A N ASN 147.A OD1 no hydrogen 2.718 N/A ASN 149.A ND2 GLN 116.A OE1 no hydrogen 3.594 N/A ARG 150.A N ASN 147.A O no hydrogen 3.284 N/A VAL 151.A N GLN 120.A OE1 no hydrogen 2.932 N/A LYS 152.A N LEU 144.A O no hydrogen 2.806 N/A LYS 152.A NZ GLU 91.A OE2 no hydrogen 2.669 N/A ILE 153.A N ASN 70.A O no hydrogen 2.802 N/A GLY 154.A N ASN 142.A O no hydrogen 2.724 N/A GLY 157.A N ASP 155.A OD2 no hydrogen 3.013 N/A THR 159.A N PHE 156.A O no hydrogen 3.266 N/A THR 159.A OG1 PHE 156.A O no hydrogen 3.404 N/A LYS 160.A N ILE 134.A O no hydrogen 2.937 N/A LEU 162.A N ARG 132.A O no hydrogen 2.942 N/A LYS 166.A N PRO 163.A O no hydrogen 3.280 N/A LYS 168.A NZ GLU 187.A O no hydrogen 2.915 N/A VAL 169.A N SER 188.A O no hydrogen 3.027 N/A SER 175.A OG GLY 173.A O no hydrogen 3.082 N/A TRP 179.A N PRO 176.A O no hydrogen 2.860 N/A TRP 179.A NE1 GLU 205.A OE2 no hydrogen 3.011 N/A TYR 180.A N ILE 177.A O no hydrogen 3.152 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.770 N/A SER 184.A N ALA 181.A O no hydrogen 3.071 N/A SER 184.A OG LYS 189.A O no hydrogen 2.800 N/A LEU 185.A N ALA 181.A O no hydrogen 3.181 N/A THR 186.A N PRO 182.A O no hydrogen 2.898 N/A THR 186.A OG1 PRO 182.A O no hydrogen 3.112 N/A GLU 187.A N GLU 183.A O no hydrogen 2.975 N/A SER 188.A N SER 184.A O no hydrogen 3.058 N/A LYS 189.A N GLU 183.A O no hydrogen 3.323 N/A SER 191.A N SER 194.A OG no hydrogen 2.875 N/A SER 194.A N SER 191.A O no hydrogen 3.102 N/A SER 194.A N SER 191.A OG no hydrogen 3.231 N/A SER 194.A OG SER 191.A O no hydrogen 2.997 N/A ASP 195.A N SER 191.A O no hydrogen 3.094 N/A VAL 196.A N VAL 192.A O no hydrogen 2.940 N/A TRP 197.A N ALA 193.A O no hydrogen 3.180 N/A SER 198.A N SER 194.A O no hydrogen 3.094 N/A SER 198.A OG TRP 179.A O no hydrogen 2.653 N/A SER 198.A OG SER 194.A O no hydrogen 3.317 N/A PHE 199.A N ASP 195.A O no hydrogen 2.894 N/A GLY 200.A N VAL 196.A O no hydrogen 3.054 N/A VAL 201.A N TRP 197.A O no hydrogen 3.286 N/A VAL 202.A N SER 198.A O no hydrogen 2.898 N/A LEU 203.A N PHE 199.A O no hydrogen 2.918 N/A TYR 204.A N GLY 200.A O no hydrogen 3.030 N/A TYR 204.A OH LYS 214.A O no hydrogen 2.600 N/A GLU 205.A N VAL 201.A O no hydrogen 2.891 N/A LEU 206.A N VAL 202.A O no hydrogen 2.909 N/A PHE 207.A N LEU 203.A O no hydrogen 3.142 N/A THR 208.A N TYR 204.A O no hydrogen 3.032 N/A THR 208.A N GLU 205.A O no hydrogen 3.288 N/A THR 208.A OG1 TYR 204.A O no hydrogen 3.084 N/A THR 208.A OG1 GLU 205.A O no hydrogen 2.932 N/A TYR 209.A N LEU 206.A O no hydrogen 3.182 N/A TYR 209.A OH ILE 109.A O no hydrogen 3.138 N/A ILE 210.A N GLU 205.A O no hydrogen 3.331 N/A GLU 211.A N THR 208.A O no hydrogen 3.173 N/A LYS 214.A N GLU 211.A O no hydrogen 2.815 N/A SER 215.A N LYS 212.A O no hydrogen 3.282 N/A SER 215.A OG LYS 212.A O no hydrogen 3.149 N/A ALA 218.A N SER 215.A OG no hydrogen 3.217 N/A GLU 219.A N SER 215.A O no hydrogen 2.957 N/A PHE 220.A N PRO 216.A O no hydrogen 2.972 N/A MET 221.A N PRO 217.A O no hydrogen 3.002 N/A ARG 222.A N ALA 218.A O no hydrogen 2.993 N/A ARG 222.A NE GLU 219.A OE1 no hydrogen 2.858 N/A ARG 222.A NH2 GLU 219.A OE2 no hydrogen 2.843 N/A MET 223.A N GLU 219.A O no hydrogen 2.988 N/A ILE 224.A N PHE 220.A O no hydrogen 2.967 N/A GLY 225.A N MET 221.A O no hydrogen 2.818 N/A LYS 228.A N GLY 225.A O no hydrogen 3.075 N/A LYS 228.A NZ ILE 224.A O no hydrogen 2.735 N/A LYS 228.A NZ ASP 227.A OD1 no hydrogen 3.546 N/A LYS 228.A NZ ASP 227.A OD2 no hydrogen 3.193 N/A MET 232.A N GLN 229.A O no hydrogen 3.148 N/A ILE 233.A N GLY 230.A O no hydrogen 2.890 N/A PHE 235.A N GLN 231.A O no hydrogen 3.177 N/A HIS 236.A N MET 232.A O no hydrogen 2.963 N/A HIS 236.A ND1 MET 232.A O no hydrogen 3.057 N/A LEU 237.A N ILE 233.A O no hydrogen 2.848 N/A ILE 238.A N VAL 234.A O no hydrogen 2.940 N/A GLU 239.A N PHE 235.A O no hydrogen 3.191 N/A LEU 240.A N HIS 236.A O no hydrogen 2.815 N/A LEU 241.A N LEU 237.A O no hydrogen 2.946 N/A LYS 242.A N ILE 238.A O no hydrogen 3.018 N/A LYS 242.A NZ GLU 239.A OE2 no hydrogen 3.473 N/A ASN 243.A N GLU 239.A O no hydrogen 3.305 N/A ASN 243.A N LEU 240.A O no hydrogen 3.106 N/A ASN 243.A ND2 GLU 239.A O no hydrogen 2.957 N/A ASN 244.A N LEU 241.A O no hydrogen 2.970 N/A GLY 245.A N LEU 240.A O no hydrogen 2.868 N/A ARG 246.A NE TRP 265.A O no hydrogen 2.919 N/A ARG 246.A NH1 LEU 241.A O no hydrogen 2.955 N/A ARG 246.A NH1 GLY 245.A O no hydrogen 3.010 N/A ARG 246.A NH2 TRP 265.A O no hydrogen 2.674 N/A ARG 246.A NH2 ASN 267.A OD1 no hydrogen 2.973 N/A ARG 249.A NH1 ASP 255.A OD1 no hydrogen 2.756 N/A ARG 249.A NH2 CYS 253.A O no hydrogen 3.164 N/A ARG 249.A NH2 ASP 255.A OD1 no hydrogen 3.295 N/A CYS 253.A N PRO 250.A O no hydrogen 3.182 N/A CYS 253.A SG PRO 254.A O no hydrogen 3.538 N/A ILE 257.A N PRO 254.A O no hydrogen 3.053 N/A TYR 258.A N PRO 254.A O no hydrogen 3.000 N/A MET 259.A N ASP 255.A O no hydrogen 2.913 N/A ILE 260.A N GLU 256.A O no hydrogen 3.350 N/A MET 261.A N ILE 257.A O no hydrogen 3.188 N/A THR 262.A N TYR 258.A O no hydrogen 3.068 N/A THR 262.A OG1 TYR 258.A O no hydrogen 3.476 N/A THR 262.A OG1 MET 259.A O no hydrogen 2.903 N/A GLU 263.A N MET 259.A O no hydrogen 3.007 N/A CYS 264.A N ILE 260.A O no hydrogen 3.062 N/A CYS 264.A SG ILE 260.A O no hydrogen 3.309 N/A TRP 265.A N MET 261.A O no hydrogen 3.059 N/A ASN 266.A ND2 GLN 271.A OE1 no hydrogen 3.187 N/A ASN 267.A ND2 LEU 241.A O no hydrogen 3.121 N/A ASN 268.A N ASN 266.A OD1 no hydrogen 3.022 N/A GLN 271.A N ASN 268.A O no hydrogen 3.068 N/A ARG 272.A N VAL 269.A O no hydrogen 3.358 N/A ARG 272.A NE ASN 266.A O no hydrogen 2.740 N/A ARG 272.A NH1 GLU 183.A OE2 no hydrogen 2.698 N/A ARG 272.A NH1 ALA 193.A O no hydrogen 2.917 N/A ARG 272.A NH2 GLU 183.A OE1 no hydrogen 2.848 N/A ARG 272.A NH2 GLU 183.A OE2 no hydrogen 3.456 N/A ARG 272.A NH2 ASN 266.A O no hydrogen 2.947 N/A ASP 277.A N SER 274.A OG no hydrogen 3.068 N/A LEU 278.A N SER 274.A O no hydrogen 2.839 N/A ALA 279.A N PHE 275.A O no hydrogen 2.986 N/A LEU 280.A N ARG 276.A O no hydrogen 3.219 N/A ARG 281.A N ASP 277.A O no hydrogen 2.873 N/A ARG 281.A NH1 GLU 263.A OE1 no hydrogen 2.717 N/A ARG 281.A NH2 GLU 263.A OE1 no hydrogen 3.155 N/A ARG 281.A NH2 GLU 263.A OE2 no hydrogen 3.305 N/A VAL 282.A N LEU 278.A O no hydrogen 2.980 N/A ASP 283.A N ALA 279.A O no hydrogen 3.102 N/A GLN 284.A N LEU 280.A O no hydrogen 3.003 N/A GLN 284.A NE2 GLN 284.A O no hydrogen 3.276 N/A GLN 284.A NE2 ASN 288.A OD1 no hydrogen 2.783 N/A ILE 285.A N ARG 281.A O no hydrogen 2.990 N/A ARG 286.A N VAL 282.A O no hydrogen 2.917 N/A ARG 286.A NH1 ASP 283.A OD1 no hydrogen 2.925 N/A ASP 287.A N ASP 283.A O no hydrogen 2.942 N/A ASN 288.A N GLN 284.A O no hydrogen 2.836 N/A MET 289.A N ILE 285.A O no hydrogen 3.028 N/A ALA 290.A N ARG 286.A O no hydrogen 3.072 N/A ALA 290.A N ASP 287.A O no hydrogen 3.228 N/A