Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4m44_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 9.A OG ARG 337.A O no hydrogen 2.490 N/A SER 12.A OG SER 10.A O no hydrogen 2.900 N/A VAL 16.A N VAL 24.A O no hydrogen 3.146 N/A LYS 17.A NZ GLU 23.A OE2 no hydrogen 3.303 N/A THR 18.A N GLY 22.A O no hydrogen 2.927 N/A THR 18.A OG1 GLY 22.A O no hydrogen 2.781 N/A GLN 21.A N THR 18.A OG1 no hydrogen 2.918 N/A VAL 24.A N VAL 16.A O no hydrogen 2.938 N/A ASN 25.A ND2 SER 12.A O no hydrogen 2.821 N/A VAL 26.A N HIS 14.A O no hydrogen 2.912 N/A THR 27.A N THR 334.A O no hydrogen 3.020 N/A ILE 30.A N LEU 330.A O no hydrogen 2.712 N/A LEU 32.A N LEU 328.A O no hydrogen 3.173 N/A THR 35.A OG1 THR 310.A OG1 no hydrogen 2.782 N/A SER 39.A N TYR 299.A O no hydrogen 2.767 N/A SER 39.A OG HIS 40.A O no hydrogen 3.503 N/A HIS 40.A ND1 PHE 41.A O no hydrogen 3.360 N/A ASN 43.A N GLY 290.A O no hydrogen 2.857 N/A LEU 44.A N THR 49.A OG1 no hydrogen 2.881 N/A LYS 45.A N ALA 292.A O no hydrogen 3.040 N/A THR 47.A N LEU 44.A O no hydrogen 2.880 N/A THR 49.A OG1 THR 47.A O no hydrogen 2.954 N/A ARG 50.A N ALA 81.A O no hydrogen 2.764 N/A ARG 50.A NH1 TYR 114.A O no hydrogen 2.816 N/A ARG 50.A NH2 PRO 77.A O no hydrogen 3.180 N/A ARG 50.A NH2 GLU 115.A O no hydrogen 2.628 N/A LYS 52.A NZ CYS 60.A O no hydrogen 3.552 N/A LEU 53.A N ASP 62.A OD1 no hydrogen 2.907 N/A CYS 54.A SG THR 56.A OG1 no hydrogen 3.572 N/A CYS 54.A SG VAL 75.A O no hydrogen 3.389 N/A CYS 57.A N CYS 54.A O no hydrogen 3.112 N/A CYS 60.A SG LEU 58.A O no hydrogen 3.595 N/A CYS 60.A SG MET 71.A O no hydrogen 3.582 N/A THR 61.A N ASP 64.A OD2 no hydrogen 3.183 N/A THR 61.A OG1 VAL 90.A O no hydrogen 2.740 N/A ASP 64.A N THR 61.A OG1 no hydrogen 3.004 N/A VAL 65.A N THR 61.A O no hydrogen 2.949 N/A ALA 66.A N ASP 62.A O no hydrogen 2.937 N/A LEU 67.A N LEU 63.A O no hydrogen 3.006 N/A GLY 68.A N VAL 65.A O no hydrogen 3.051 N/A ARG 69.A N ASP 64.A O no hydrogen 3.021 N/A ARG 69.A NH1 ASN 59.A O no hydrogen 3.231 N/A ARG 69.A NH1 ASP 64.A OD2 no hydrogen 3.072 N/A CYS 72.A N ARG 69.A O no hydrogen 2.853 N/A CYS 72.A SG PRO 70.A O no hydrogen 4.029 N/A THR 76.A OG1 ILE 117.A O no hydrogen 2.575 N/A ALA 79.A N GLU 115.A O no hydrogen 3.112 N/A SER 82.A N LYS 280.A O no hydrogen 2.705 N/A SER 82.A OG ARG 112.A O no hydrogen 3.135 N/A SER 82.A OG SER 279.A OG no hydrogen 2.751 N/A ILE 83.A N ARG 50.A O no hydrogen 2.873 N/A LEU 84.A N ILE 282.A O no hydrogen 2.915 N/A HIS 85.A NE2 GLY 51.A O no hydrogen 3.193 N/A VAL 90.A N GLU 86.A OE1 no hydrogen 3.167 N/A THR 91.A N GLU 235.A OE1 no hydrogen 3.004 N/A THR 91.A OG1 HIS 99.A NE2 no hydrogen 2.861 N/A THR 91.A OG1 GLU 235.A O no hydrogen 2.968 N/A THR 91.A OG1 GLU 235.A OE1 no hydrogen 3.437 N/A SER 92.A N ASP 64.A OD1 no hydrogen 2.961 N/A SER 92.A N ASP 64.A OD2 no hydrogen 3.140 N/A SER 92.A OG ASP 64.A OD2 no hydrogen 2.318 N/A GLY 93.A N GLU 235.A O no hydrogen 3.325 N/A MET 98.A N ILE 245.A O no hydrogen 3.121 N/A HIS 99.A NE2 THR 91.A OG1 no hydrogen 2.861 N/A ARG 101.A N MET 98.A O no hydrogen 3.335 N/A ARG 101.A NH1 GLN 226.A OE1 no hydrogen 2.901 N/A ARG 101.A NH2 GLN 226.A OE1 no hydrogen 2.946 N/A THR 102.A N HIS 99.A O no hydrogen 3.194 N/A THR 102.A OG1 HIS 99.A O no hydrogen 3.570 N/A THR 102.A OG1 VAL 247.A O no hydrogen 2.537 N/A LYS 103.A NZ ASP 248.A OD1 no hydrogen 2.985 N/A LYS 103.A NZ ASP 248.A OD2 no hydrogen 3.524 N/A LYS 103.A NZ TYR 249.A O no hydrogen 2.973 N/A ILE 104.A N THR 102.A OG1 no hydrogen 3.222 N/A ARG 105.A NE ASP 100.A OD1 no hydrogen 3.307 N/A ARG 105.A NH1 PRO 89.A O no hydrogen 2.799 N/A ARG 105.A NH1 GLU 235.A OE1 no hydrogen 3.008 N/A ARG 105.A NH1 GLU 235.A OE2 no hydrogen 3.437 N/A ARG 105.A NH2 GLU 235.A OE2 no hydrogen 2.772 N/A GLN 106.A N LYS 103.A O no hydrogen 3.207 N/A GLN 106.A NE2 VAL 87.A O no hydrogen 2.759 N/A LEU 107.A N ILE 104.A O no hydrogen 3.011 N/A ASN 109.A ND2 GLU 86.A O no hydrogen 2.886 N/A ASN 109.A ND2 GLN 106.A OE1 no hydrogen 2.910 N/A LEU 110.A N GLN 106.A O no hydrogen 2.934 N/A LEU 111.A N LEU 107.A O no hydrogen 3.099 N/A ARG 112.A N PRO 108.A O no hydrogen 3.085 N/A ARG 112.A NE ASN 109.A OD1 no hydrogen 3.087 N/A ARG 112.A NH1 GLY 51.A O no hydrogen 2.955 N/A ARG 112.A NH2 ASP 62.A OD2 no hydrogen 2.756 N/A GLY 113.A N LEU 110.A O no hydrogen 3.259 N/A TYR 114.A N LEU 111.A O no hydrogen 3.040 N/A TYR 114.A OH ASP 185.A OD2 no hydrogen 2.900 N/A LYS 116.A N SER 276.A O no hydrogen 3.031 N/A ARG 118.A N CYS 274.A O no hydrogen 2.938 N/A ARG 118.A NE GLU 184.A OE2 no hydrogen 2.910 N/A ARG 118.A NH2 GLU 184.A OE1 no hydrogen 2.854 N/A ARG 118.A NH2 GLU 184.A OE2 no hydrogen 3.361 N/A SER 120.A N VAL 272.A O no hydrogen 2.712 N/A SER 120.A OG GLN 122.A O no hydrogen 3.004 N/A SER 120.A OG VAL 272.A O no hydrogen 3.321 N/A VAL 124.A N GLN 270.A O no hydrogen 2.890 N/A LYS 129.A N ASN 126.A O no hydrogen 3.315 N/A ALA 130.A N ALA 127.A O no hydrogen 3.273 N/A TYR 135.A N GLU 128.A O no hydrogen 3.128 N/A TYR 135.A OH PRO 131.A O no hydrogen 2.712 N/A ARG 136.A N VAL 160.A O no hydrogen 2.931 N/A GLY 138.A N TRP 158.A O no hydrogen 2.827 N/A SER 140.A N GLY 151.A O no hydrogen 2.711 N/A SER 142.A N SER 140.A OG no hydrogen 3.195 N/A CYS 143.A N SER 140.A O no hydrogen 3.151 N/A ASN 145.A N SER 148.A O no hydrogen 2.713 N/A ALA 146.A N ASN 145.A OD1 no hydrogen 2.481 N/A SER 148.A N ASN 145.A O no hydrogen 3.303 N/A SER 148.A OG SER 150.A O no hydrogen 2.818 N/A SER 150.A N SER 148.A OG no hydrogen 3.194 N/A GLY 151.A N SER 140.A O no hydrogen 3.000 N/A ALA 154.A N GLY 68.A O no hydrogen 2.634 N/A THR 155.A OG1 LEU 67.A O no hydrogen 2.580 N/A MET 156.A N PHE 153.A O no hydrogen 3.229 N/A ALA 157.A N LEU 268.A O no hydrogen 2.706 N/A TRP 158.A NE1 TYR 204.A OH no hydrogen 2.915 N/A ALA 159.A N ILE 266.A O no hydrogen 3.211 N/A VAL 160.A N ARG 136.A O no hydrogen 3.337 N/A LYS 162.A N PRO 134.A O no hydrogen 2.909 N/A LYS 166.A NZ ASN 202.A O no hydrogen 2.981 N/A LYS 166.A NZ LEU 203.A O no hydrogen 3.327 N/A THR 169.A OG1 ASN 170.A O no hydrogen 3.059 N/A LEU 172.A N TYR 262.A O no hydrogen 2.817 N/A VAL 174.A N ILE 260.A O no hydrogen 3.054 N/A VAL 176.A N GLY 258.A O no hydrogen 2.625 N/A HIS 178.A NE2 THR 181.A O no hydrogen 3.152 N/A ILE 179.A N GLN 186.A OE1 no hydrogen 2.880 N/A CYS 180.A SG GLN 186.A OE1 no hydrogen 3.813 N/A CYS 180.A SG TRP 273.A O no hydrogen 3.960 N/A THR 181.A N GLU 184.A OE1 no hydrogen 2.885 N/A GLU 183.A N THR 181.A OG1 no hydrogen 3.070 N/A GLU 184.A N THR 181.A O no hydrogen 3.257 N/A ASP 185.A N ALA 275.A O no hydrogen 2.708 N/A GLN 186.A N GLN 252.A O no hydrogen 2.886 N/A GLN 186.A NE2 PRO 177.A O no hydrogen 3.208 N/A GLN 186.A NE2 THR 188.A OG1 no hydrogen 3.024 N/A GLN 186.A NE2 GLN 252.A OE1 no hydrogen 3.503 N/A ILE 187.A N TRP 273.A O no hydrogen 3.027 N/A THR 188.A N MET 250.A O no hydrogen 2.874 N/A THR 188.A OG1 GLN 252.A OE1 no hydrogen 2.706 N/A TRP 190.A N ASP 248.A O no hydrogen 3.153 N/A GLY 191.A N LEU 267.A O no hydrogen 3.222 N/A PHE 192.A N VAL 246.A O no hydrogen 2.885 N/A HIS 193.A N GLY 265.A O no hydrogen 2.620 N/A HIS 193.A ND1 TYR 204.A OH no hydrogen 2.672 N/A SER 194.A N ARG 244.A O no hydrogen 2.897 N/A SER 194.A OG GLN 226.A O no hydrogen 2.474 N/A ASP 196.A N ASP 195.A OD1 no hydrogen 2.699 N/A LYS 197.A N ASP 196.A OD1 no hydrogen 2.776 N/A GLN 199.A N GLN 199.A OE1 no hydrogen 2.652 N/A MET 200.A N ASP 196.A O no hydrogen 2.961 N/A LYS 201.A N LYS 197.A O no hydrogen 3.121 N/A ASN 202.A N THR 198.A O no hydrogen 2.994 N/A LEU 203.A N GLN 199.A O no hydrogen 2.920 N/A TYR 204.A N MET 200.A O no hydrogen 2.755 N/A TYR 204.A OH HIS 193.A ND1 no hydrogen 2.672 N/A GLY 205.A N MET 200.A O no hydrogen 3.310 N/A GLY 205.A N LYS 201.A O no hydrogen 2.860 N/A ASN 208.A N ASP 206.A OD1 no hydrogen 2.773 N/A GLN 210.A N SER 225.A OG no hydrogen 2.623 N/A GLN 210.A NE2 ASP 206.A OD2 no hydrogen 3.286 N/A GLN 210.A NE2 ASN 208.A O no hydrogen 2.732 N/A LYS 211.A N GLN 263.A OE1 no hydrogen 2.810 N/A PHE 212.A N TYR 223.A O no hydrogen 2.793 N/A THR 213.A N VAL 261.A O no hydrogen 2.896 N/A THR 213.A OG1 HIS 222.A ND1 no hydrogen 2.906 N/A SER 214.A N THR 221.A O no hydrogen 3.080 N/A SER 214.A OG THR 221.A OG1 no hydrogen 2.586 N/A SER 215.A N THR 259.A O no hydrogen 2.799 N/A ALA 216.A N VAL 219.A O no hydrogen 3.014 N/A VAL 219.A N ALA 216.A O no hydrogen 2.829 N/A THR 221.A N SER 214.A O no hydrogen 3.070 N/A THR 221.A OG1 SER 214.A OG no hydrogen 2.586 N/A HIS 222.A ND1 THR 213.A OG1 no hydrogen 2.906 N/A TYR 223.A N PHE 212.A O no hydrogen 2.744 N/A TYR 223.A OH ASP 248.A OD2 no hydrogen 2.359 N/A SER 225.A N GLN 210.A O no hydrogen 2.878 N/A SER 225.A OG GLN 210.A O no hydrogen 3.308 N/A GLN 226.A NE2 GLY 228.A O no hydrogen 2.902 N/A GLY 228.A N ASP 195.A O no hydrogen 3.097 N/A GLN 233.A NE2 ASP 236.A OD2 no hydrogen 2.622 N/A GLN 233.A NE2 LEU 239.A O no hydrogen 2.757 N/A GLN 241.A N GLN 233.A OE1 no hydrogen 2.554 N/A GLN 241.A NE2 SER 142.A OG no hydrogen 2.951 N/A SER 242.A OG ASP 195.A OD1 no hydrogen 2.735 N/A SER 242.A OG ASP 195.A OD2 no hydrogen 3.389 N/A ARG 244.A N SER 194.A O no hydrogen 3.044 N/A ARG 244.A NE PRO 231.A O no hydrogen 3.083 N/A ARG 244.A NH1 GLN 241.A O no hydrogen 3.239 N/A ARG 244.A NH1 GLY 243.A O no hydrogen 2.785 N/A ARG 244.A NH2 PRO 231.A O no hydrogen 2.881 N/A ILE 245.A N PRO 96.A O no hydrogen 3.182 N/A VAL 246.A N PHE 192.A O no hydrogen 2.898 N/A ASP 248.A N TRP 190.A O no hydrogen 2.814 N/A TYR 249.A N ASP 248.A OD1 no hydrogen 2.785 N/A MET 250.A N THR 188.A O no hydrogen 2.905 N/A GLN 252.A N GLN 186.A O no hydrogen 2.687 N/A GLN 252.A NE2 VAL 176.A O no hydrogen 2.995 N/A GLN 252.A NE2 LYS 256.A O no hydrogen 2.882 N/A LYS 253.A NZ ASP 185.A OD1 no hydrogen 2.852 N/A LYS 253.A NZ ASP 185.A OD2 no hydrogen 2.832 N/A LYS 256.A N LYS 253.A O no hydrogen 3.001 N/A GLY 258.A N VAL 176.A O no hydrogen 2.887 N/A THR 259.A N SER 215.A O no hydrogen 2.856 N/A ILE 260.A N VAL 174.A O no hydrogen 3.153 N/A VAL 261.A N THR 213.A O no hydrogen 2.630 N/A TYR 262.A N LEU 172.A O no hydrogen 2.845 N/A TYR 262.A OH PRO 131.A O no hydrogen 2.753 N/A GLN 263.A NE2 THR 169.A O no hydrogen 3.006 N/A ARG 264.A N GLN 210.A OE1 no hydrogen 3.013 N/A ARG 264.A NE THR 167.A O no hydrogen 2.901 N/A ARG 264.A NH1 GLY 132.A O no hydrogen 3.172 N/A ARG 264.A NH2 THR 167.A O no hydrogen 3.166 N/A LEU 267.A N GLY 191.A O no hydrogen 2.672 N/A LEU 268.A N ALA 157.A O no hydrogen 3.026 N/A GLN 270.A N THR 155.A O no hydrogen 2.799 N/A LYS 271.A N ALA 154.A O no hydrogen 3.460 N/A LYS 271.A NZ ASN 123.A OD1 no hydrogen 2.721 N/A VAL 272.A N SER 120.A OG no hydrogen 2.789 N/A TRP 273.A N ILE 187.A O no hydrogen 3.247 N/A TRP 273.A NE1 ALA 66.A O no hydrogen 2.768 N/A CYS 274.A N ARG 118.A O no hydrogen 2.733 N/A ALA 275.A N ASP 185.A O no hydrogen 2.965 N/A SER 276.A N LYS 116.A O no hydrogen 3.079 N/A SER 279.A N GLY 113.A O no hydrogen 2.851 N/A SER 279.A OG ALA 79.A O no hydrogen 3.070 N/A SER 279.A OG SER 82.A OG no hydrogen 2.751 N/A LYS 280.A N LYS 80.A O no hydrogen 2.742 N/A ILE 282.A N SER 82.A O no hydrogen 3.311 N/A LYS 283.A N GLU 297.A OE2 no hydrogen 2.803 N/A GLY 284.A N LEU 84.A O no hydrogen 3.225 N/A ILE 289.A N PHE 41.A O no hydrogen 2.990 N/A ALA 292.A N ASN 43.A O no hydrogen 3.068 N/A ASP 293.A N ASN 303.A OD1 no hydrogen 2.980 N/A CYS 294.A N LEU 302.A O no hydrogen 3.076 N/A CYS 294.A SG ILE 317.A O no hydrogen 3.788 N/A LEU 295.A N ILE 317.A O no hydrogen 2.927 N/A HIS 296.A N GLY 300.A O no hydrogen 2.987 N/A HIS 296.A NE2 TYR 309.A OH no hydrogen 2.861 N/A GLU 297.A N LYS 315.A O no hydrogen 3.116 N/A LYS 298.A N HIS 296.A ND1 no hydrogen 3.056 N/A TYR 299.A N HIS 296.A O no hydrogen 3.280 N/A GLY 300.A N HIS 296.A O no hydrogen 2.676 N/A GLY 301.A N HIS 40.A O no hydrogen 3.066 N/A LEU 302.A N CYS 294.A O no hydrogen 2.979 N/A LYS 304.A N ASP 293.A OD2 no hydrogen 2.844 N/A LYS 304.A NZ ASN 319.A OD1 no hydrogen 3.276 N/A LYS 306.A N SER 305.A OG no hydrogen 2.690 N/A TYR 308.A N LEU 32.A O no hydrogen 3.154 N/A TYR 309.A N ILE 322.A O no hydrogen 2.987 N/A TYR 309.A OH HIS 296.A NE2 no hydrogen 2.861 N/A THR 310.A N THR 34.A O no hydrogen 2.904 N/A THR 310.A OG1 THR 34.A O no hydrogen 3.528 N/A THR 310.A OG1 THR 35.A OG1 no hydrogen 2.782 N/A GLU 312.A N TYR 299.A OH no hydrogen 2.957 N/A ILE 317.A N LEU 295.A O no hydrogen 2.913 N/A ASN 319.A N ASP 293.A O no hydrogen 2.800 N/A CYS 320.A SG ILE 317.A O no hydrogen 3.339 N/A ILE 322.A N PRO 307.A O no hydrogen 2.976 N/A TRP 323.A NE1 GLY 311.A O no hydrogen 3.055 N/A VAL 324.A N TYR 309.A O no hydrogen 3.070 N/A LYS 329.A NZ PRO 327.A O no hydrogen 3.217 N/A LEU 330.A N ILE 30.A O no hydrogen 2.934 N/A ASN 332.A N GLY 28.A O no hydrogen 2.749 N/A THR 334.A N THR 27.A OG1 no hydrogen 3.181 N/A TYR 336.A N ASN 25.A O no hydrogen 2.761 N/A