Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xs2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N ALA 69.A O no hydrogen 3.339 N/A THR 1.A OG1 ALA 69.A O no hydrogen 3.000 N/A THR 1.A OG1 GLN 72.A OE1 no hydrogen 2.730 N/A HIS 4.A N LEU 80.A O no hydrogen 3.197 N/A SER 7.A OG ASP 85.A OD2 no hydrogen 3.550 N/A PHE 8.A N ASP 85.A OD2 no hydrogen 3.363 N/A LEU 11.A N SER 7.A O no hydrogen 3.262 N/A LYS 12.A N PHE 8.A O no hydrogen 2.770 N/A ASN 13.A N TYR 9.A O no hydrogen 3.055 N/A VAL 14.A N GLU 10.A O no hydrogen 3.069 N/A THR 15.A N LEU 11.A O no hydrogen 3.224 N/A THR 15.A OG1 LEU 11.A O no hydrogen 2.796 N/A ASN 16.A N ASN 13.A O no hydrogen 3.396 N/A ASN 16.A ND2 ASN 16.A O no hydrogen 2.761 N/A ASN 17.A N LYS 12.A O no hydrogen 2.757 N/A ARG 21.A N ASP 19.A OD1 no hydrogen 3.160 N/A ARG 21.A NE ASP 19.A OD1 no hydrogen 2.968 N/A VAL 25.A N SER 24.A OG no hydrogen 2.978 N/A LYS 27.A N ASP 19.A O no hydrogen 3.267 N/A LYS 27.A N ARG 21.A O no hydrogen 2.772 N/A MET 28.A N VAL 36.A O no hydrogen 2.910 N/A VAL 36.A N GLY 29.A O no hydrogen 3.033 N/A TYR 37.A N VAL 48.A O no hydrogen 2.834 N/A LYS 38.A N ASN 26.A O no hydrogen 3.108 N/A GLY 39.A N VAL 46.A O no hydrogen 3.046 N/A VAL 41.A N THR 44.A O no hydrogen 3.033 N/A THR 44.A N VAL 41.A O no hydrogen 3.138 N/A THR 44.A OG1 VAL 41.A O no hydrogen 2.716 N/A THR 44.A OG1 ASN 42.A O no hydrogen 3.219 N/A VAL 46.A N GLY 39.A O no hydrogen 2.746 N/A ALA 47.A N TYR 93.A O no hydrogen 3.274 N/A VAL 48.A N TYR 37.A O no hydrogen 2.759 N/A LYS 49.A N LEU 91.A O no hydrogen 2.932 N/A LYS 49.A NZ ASP 160.A OD1 no hydrogen 3.518 N/A LYS 50.A N VAL 35.A O no hydrogen 3.324 N/A LEU 51.A N LEU 89.A O no hydrogen 2.788 N/A ALA 52.A N LYS 50.A O no hydrogen 3.529 N/A THR 53.A OG1 GLU 56.A OE1 no hydrogen 3.489 N/A LEU 57.A N THR 53.A O no hydrogen 2.751 N/A LYS 58.A N THR 54.A O no hydrogen 3.306 N/A LYS 58.A NZ ASP 62.A OD1 no hydrogen 3.236 N/A GLN 59.A N GLU 55.A O no hydrogen 2.809 N/A GLN 60.A N GLU 56.A O no hydrogen 3.248 N/A GLN 60.A N LEU 57.A O no hydrogen 3.288 N/A GLN 60.A NE2 GLY 32.A O no hydrogen 2.821 N/A PHE 61.A N LEU 57.A O no hydrogen 3.388 N/A ASP 62.A N LYS 58.A O no hydrogen 2.886 N/A GLN 63.A N GLN 59.A O no hydrogen 3.207 N/A LYS 66.A N ASP 62.A O no hydrogen 2.979 N/A VAL 67.A N GLN 63.A O no hydrogen 2.736 N/A MET 68.A N GLU 64.A O no hydrogen 2.942 N/A ALA 69.A N ILE 65.A O no hydrogen 2.804 N/A CYS 71.A N VAL 67.A O no hydrogen 2.744 N/A CYS 71.A SG VAL 67.A O no hydrogen 3.275 N/A CYS 71.A SG HIS 138.A ND1 no hydrogen 3.502 N/A GLN 72.A NE2 LYS 70.A O no hydrogen 2.899 N/A ASN 75.A N HIS 73.A ND1 no hydrogen 3.291 N/A ASN 75.A ND2 ALA 156.A O no hydrogen 3.134 N/A LEU 76.A N HIS 73.A O no hydrogen 3.445 N/A VAL 77.A N ILE 158.A O no hydrogen 2.956 N/A LEU 80.A N VAL 92.A O no hydrogen 2.751 N/A GLY 81.A N VAL 92.A O no hydrogen 3.285 N/A PHE 82.A N HIS 4.A O no hydrogen 3.334 N/A SER 83.A N CYS 90.A O no hydrogen 2.933 N/A SER 83.A OG PHE 6.A O no hydrogen 2.816 N/A SER 83.A OG ASP 85.A OD1 no hydrogen 2.942 N/A CYS 90.A N SER 83.A O no hydrogen 3.302 N/A LEU 91.A N LYS 49.A O no hydrogen 3.131 N/A VAL 92.A N GLY 81.A O no hydrogen 3.082 N/A TYR 93.A N ALA 47.A O no hydrogen 3.033 N/A VAL 94.A N GLU 78.A O no hydrogen 3.063 N/A TYR 95.A N THR 45.A O no hydrogen 3.436 N/A ASN 98.A N LEU 150.A O no hydrogen 3.225 N/A ASN 98.A ND2 ASP 151.A O no hydrogen 2.772 N/A GLY 99.A N MET 96.A O no hydrogen 3.325 N/A LEU 101.A N ILE 148.A O no hydrogen 2.913 N/A ASP 103.A N SER 100.A OG no hydrogen 3.385 N/A ARG 104.A N SER 100.A O no hydrogen 3.131 N/A ARG 104.A NE THR 111.A OG1 no hydrogen 2.843 N/A ARG 104.A NH1 ASN 98.A O no hydrogen 3.044 N/A ARG 104.A NH2 THR 111.A OG1 no hydrogen 3.353 N/A LEU 105.A N LEU 101.A O no hydrogen 2.769 N/A SER 106.A N LEU 102.A O no hydrogen 2.987 N/A SER 106.A OG ASP 103.A O no hydrogen 3.369 N/A CYS 107.A N ARG 104.A O no hydrogen 3.445 N/A CYS 107.A SG ARG 104.A O no hydrogen 4.046 N/A LEU 108.A N ASP 103.A O no hydrogen 2.945 N/A GLY 110.A N CYS 107.A O no hydrogen 3.075 N/A SER 115.A OG ASP 244.A OD2 no hydrogen 3.547 N/A TRP 116.A N ASP 244.A OD1 no hydrogen 2.759 N/A TRP 116.A NE1 SER 249.A OG no hydrogen 2.741 N/A HIS 117.A N ASP 244.A OD2 no hydrogen 3.089 N/A MET 118.A N SER 115.A OG no hydrogen 3.211 N/A ARG 119.A N SER 115.A O no hydrogen 2.997 N/A ARG 119.A NE LEU 114.A O no hydrogen 2.895 N/A ARG 119.A NH1 ILE 204.A O no hydrogen 2.809 N/A ARG 119.A NH1 ASP 239.A OD2 no hydrogen 2.921 N/A ARG 119.A NH2 LEU 114.A O no hydrogen 2.776 N/A ARG 119.A NH2 ASP 239.A OD2 no hydrogen 3.142 N/A CYS 120.A N TRP 116.A O no hydrogen 2.930 N/A CYS 120.A SG TRP 116.A O no hydrogen 3.363 N/A LYS 121.A N HIS 117.A O no hydrogen 3.310 N/A LYS 121.A NZ ALA 153.A O no hydrogen 2.995 N/A ILE 122.A N MET 118.A O no hydrogen 2.894 N/A ALA 123.A N ARG 119.A O no hydrogen 3.025 N/A GLN 124.A N CYS 120.A O no hydrogen 2.964 N/A GLN 124.A NE2 LEU 278.A O no hydrogen 2.871 N/A GLN 124.A NE2 THR 282.A OG1 no hydrogen 2.845 N/A GLY 125.A N LYS 121.A O no hydrogen 2.895 N/A ALA 126.A N ILE 122.A O no hydrogen 2.761 N/A ALA 127.A N ALA 123.A O no hydrogen 3.122 N/A ASN 128.A N GLN 124.A O no hydrogen 3.128 N/A ASN 128.A N GLY 125.A O no hydrogen 3.206 N/A ASN 128.A ND2 ASN 75.A OD1 no hydrogen 3.490 N/A GLY 129.A N GLY 125.A O no hydrogen 3.271 N/A ILE 130.A N ALA 126.A O no hydrogen 3.122 N/A ASN 131.A N ALA 127.A O no hydrogen 3.231 N/A ASN 131.A ND2 GLU 135.A OE2 no hydrogen 3.131 N/A PHE 132.A N ASN 128.A O no hydrogen 2.866 N/A LEU 133.A N GLY 129.A O no hydrogen 3.194 N/A HIS 134.A N ILE 130.A O no hydrogen 2.904 N/A HIS 134.A NE2 ASP 193.A OD2 no hydrogen 3.045 N/A GLU 135.A N ASN 131.A O no hydrogen 2.842 N/A ASN 136.A N PHE 132.A O no hydrogen 3.149 N/A ASN 136.A ND2 PHE 132.A O no hydrogen 2.747 N/A HIS 137.A N HIS 134.A O no hydrogen 2.808 N/A HIS 138.A N LEU 133.A O no hydrogen 2.802 N/A ILE 139.A N ARG 165.A O no hydrogen 2.723 N/A HIS 140.A N ASP 193.A OD2 no hydrogen 2.752 N/A HIS 140.A NE2 SER 159.A O no hydrogen 2.732 N/A ARG 141.A N ASP 193.A OD1 no hydrogen 2.987 N/A ARG 141.A NE LEU 163.A O no hydrogen 2.708 N/A ARG 141.A NH2 LEU 163.A O no hydrogen 3.256 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 3.080 N/A SER 145.A OG TYR 178.A OH no hydrogen 3.214 N/A SER 145.A OG GLU 203.A OE1 no hydrogen 2.973 N/A SER 145.A OG GLU 203.A OE2 no hydrogen 3.053 N/A ASN 147.A N LYS 144.A O no hydrogen 3.036 N/A ASN 147.A ND2 ASP 142.A O no hydrogen 2.770 N/A ILE 148.A N SER 145.A O no hydrogen 3.164 N/A LEU 149.A N LYS 157.A O no hydrogen 2.783 N/A LEU 150.A N GLY 99.A O no hydrogen 2.849 N/A ASP 151.A N THR 155.A O no hydrogen 3.225 N/A ALA 153.A N ASP 151.A OD1 no hydrogen 3.118 N/A PHE 154.A N ASP 151.A O no hydrogen 2.894 N/A THR 155.A N ASP 151.A OD1 no hydrogen 2.700 N/A THR 155.A OG1 ASP 151.A OD1 no hydrogen 2.899 N/A THR 155.A OG1 ASP 151.A OD2 no hydrogen 3.308 N/A LYS 157.A N LEU 149.A O no hydrogen 2.700 N/A LYS 157.A NZ GLU 74.A O no hydrogen 2.964 N/A ILE 158.A N ASN 75.A O no hydrogen 2.926 N/A SER 159.A N ASN 147.A O no hydrogen 3.000 N/A SER 159.A OG ASN 147.A O no hydrogen 3.424 N/A PHE 161.A N GLU 64.A OE1 no hydrogen 3.011 N/A ARG 165.A N ILE 139.A O no hydrogen 2.904 N/A SER 167.A N HIS 137.A O no hydrogen 2.751 N/A VAL 169.A N ILE 188.A O no hydrogen 3.406 N/A THR 175.A OG1 ASP 142.A OD1 no hydrogen 2.802 N/A TYR 178.A N THR 175.A O no hydrogen 2.781 N/A TYR 178.A OH SER 145.A OG no hydrogen 3.214 N/A TYR 178.A OH GLU 203.A OE1 no hydrogen 3.422 N/A TYR 178.A OH GLU 203.A OE2 no hydrogen 2.691 N/A MET 179.A N THR 175.A O no hydrogen 3.008 N/A MET 179.A N THR 176.A O no hydrogen 3.300 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.707 N/A LEU 184.A N ALA 180.A O no hydrogen 3.174 N/A ARG 185.A N PRO 181.A O no hydrogen 3.235 N/A ARG 185.A N GLU 182.A O no hydrogen 3.126 N/A GLY 186.A N GLU 182.A O no hydrogen 3.082 N/A GLY 186.A N ALA 183.A O no hydrogen 3.185 N/A GLU 187.A N GLU 182.A O no hydrogen 2.960 N/A ILE 188.A N VAL 169.A O no hydrogen 2.894 N/A LYS 191.A N THR 189.A OG1 no hydrogen 3.184 N/A LYS 191.A NZ ASN 266.A OD1 no hydrogen 2.998 N/A SER 192.A N THR 189.A O no hydrogen 3.130 N/A SER 192.A OG GLU 182.A OE2 no hydrogen 3.176 N/A ILE 194.A N PRO 190.A O no hydrogen 3.319 N/A TYR 195.A N LYS 191.A O no hydrogen 3.335 N/A TYR 195.A OH GLU 263.A OE2 no hydrogen 3.424 N/A SER 196.A N SER 192.A O no hydrogen 3.074 N/A SER 196.A OG TYR 178.A O no hydrogen 2.770 N/A PHE 197.A N ASP 193.A O no hydrogen 2.982 N/A GLY 198.A N ILE 194.A O no hydrogen 3.026 N/A GLY 198.A N TYR 195.A O no hydrogen 2.819 N/A VAL 199.A N TYR 195.A O no hydrogen 3.372 N/A VAL 200.A N SER 196.A O no hydrogen 3.265 N/A LEU 201.A N PHE 197.A O no hydrogen 3.009 N/A LEU 202.A N GLY 198.A O no hydrogen 3.088 N/A GLU 203.A N VAL 199.A O no hydrogen 2.997 N/A ILE 204.A N VAL 200.A O no hydrogen 2.880 N/A ILE 205.A N LEU 201.A O no hydrogen 2.932 N/A THR 206.A N LEU 202.A O no hydrogen 2.987 N/A THR 206.A OG1 LEU 202.A O no hydrogen 3.001 N/A GLY 207.A N GLU 203.A O no hydrogen 2.663 N/A LEU 208.A N THR 206.A OG1 no hydrogen 2.878 N/A ALA 210.A N GLU 203.A OE2 no hydrogen 3.263 N/A ASP 212.A N GLN 218.A O no hydrogen 3.011 N/A HIS 214.A N ASP 212.A OD1 no hydrogen 3.194 N/A ARG 215.A NE PRO 217.A O no hydrogen 3.083 N/A ARG 215.A NH1 PRO 209.A O no hydrogen 2.806 N/A ARG 215.A NH2 PRO 209.A O no hydrogen 2.970 N/A ARG 215.A NH2 ALA 210.A O no hydrogen 3.310 N/A ARG 215.A NH2 GLN 218.A O no hydrogen 2.977 N/A LEU 220.A N ALA 210.A O no hydrogen 2.774 N/A ASP 222.A N LEU 219.A O no hydrogen 3.209 N/A ILE 223.A N LEU 220.A O no hydrogen 2.850 N/A LYS 224.A N LEU 221.A O no hydrogen 3.266 N/A LYS 224.A NZ GLU 228.A OE1 no hydrogen 2.920 N/A GLU 225.A N ASP 222.A O no hydrogen 2.765 N/A GLU 226.A N ASP 222.A O no hydrogen 3.411 N/A ILE 227.A N ILE 223.A O no hydrogen 3.036 N/A GLU 228.A N LYS 224.A O no hydrogen 2.863 N/A ASP 229.A N GLU 225.A O no hydrogen 3.023 N/A GLU 230.A N ILE 227.A O no hydrogen 3.289 N/A GLU 231.A N GLU 226.A O no hydrogen 3.401 N/A LYS 232.A NZ GLU 231.A OE2 no hydrogen 3.261 N/A THR 233.A N ASP 236.A OD2 no hydrogen 3.002 N/A THR 233.A OG1 ASP 236.A OD1 no hydrogen 3.220 N/A THR 233.A OG1 ASP 236.A OD2 no hydrogen 3.058 N/A ASP 236.A N THR 233.A O no hydrogen 3.102 N/A TYR 237.A N ILE 234.A O no hydrogen 2.768 N/A ASP 239.A N ILE 205.A O no hydrogen 2.865 N/A LYS 241.A N ASP 239.A OD1 no hydrogen 2.964 N/A LYS 241.A NZ ASP 239.A OD1 no hydrogen 3.123 N/A SER 249.A N ASP 246.A OD2 no hydrogen 3.211 N/A SER 249.A OG ASP 246.A O no hydrogen 3.240 N/A SER 249.A OG ASP 246.A OD1 no hydrogen 2.703 N/A VAL 250.A N ASP 246.A O no hydrogen 3.206 N/A GLU 251.A N SER 247.A O no hydrogen 2.855 N/A ALA 252.A N THR 248.A O no hydrogen 2.936 N/A MET 253.A N SER 249.A O no hydrogen 2.870 N/A TYR 254.A N VAL 250.A O no hydrogen 2.863 N/A SER 255.A N GLU 251.A O no hydrogen 2.858 N/A VAL 256.A N ALA 252.A O no hydrogen 3.422 N/A ALA 257.A N MET 253.A O no hydrogen 3.046 N/A SER 258.A N TYR 254.A O no hydrogen 2.762 N/A GLN 259.A N SER 255.A O no hydrogen 3.081 N/A GLN 259.A NE2 SER 255.A O no hydrogen 3.128 N/A GLN 259.A NE2 SER 255.A OG no hydrogen 3.147 N/A CYS 260.A N VAL 256.A O no hydrogen 2.830 N/A CYS 260.A SG VAL 256.A O no hydrogen 3.403 N/A LEU 261.A N ALA 257.A O no hydrogen 3.027 N/A HIS 262.A N GLN 259.A O no hydrogen 3.437 N/A LYS 265.A NZ ASN 266.A OD1 no hydrogen 3.260 N/A LYS 267.A N LYS 264.A O no hydrogen 2.762 N/A ARG 268.A NE HIS 262.A O no hydrogen 2.683 N/A ARG 268.A NH1 GLU 182.A OE2 no hydrogen 2.723 N/A ARG 268.A NH1 LYS 191.A O no hydrogen 2.868 N/A ARG 268.A NH2 GLU 182.A OE1 no hydrogen 3.053 N/A ARG 268.A NH2 HIS 262.A O no hydrogen 3.297 N/A ARG 268.A NH2 GLU 263.A O no hydrogen 3.275 N/A LYS 272.A NZ GLU 135.A OE2 no hydrogen 3.403 N/A LYS 273.A N ASP 270.A O no hydrogen 3.029 N/A VAL 274.A N ASP 270.A O no hydrogen 3.100 N/A GLN 275.A N ILE 271.A O no hydrogen 2.760 N/A GLN 275.A NE2 ASN 128.A OD1 no hydrogen 2.805 N/A GLN 276.A N LYS 272.A O no hydrogen 3.178 N/A LEU 277.A N LYS 273.A O no hydrogen 3.014 N/A LEU 278.A N VAL 274.A O no hydrogen 3.056 N/A GLN 279.A N GLN 275.A O no hydrogen 2.985 N/A GLU 280.A N GLN 276.A O no hydrogen 2.885 N/A MET 281.A N LEU 277.A O no hydrogen 3.023 N/A THR 282.A OG1 GLN 279.A O no hydrogen 3.097 N/A ALA 283.A N GLN 279.A O no hydrogen 3.372 N/A ALA 283.A N GLU 280.A O no hydrogen 3.359 N/A