Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mw1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 ALA 85.A O no hydrogen 3.388 N/A ARG 2.A NH2 PRO 84.A O no hydrogen 3.405 N/A TYR 6.A N VAL 17.A O no hydrogen 3.075 N/A TYR 6.A OH TYR 21.A O no hydrogen 2.762 N/A GLN 8.A N TRP 15.A O no hydrogen 3.069 N/A LEU 10.A N THR 13.A O no hydrogen 2.696 N/A TRP 15.A N GLN 8.A O no hydrogen 3.141 N/A GLU 16.A N TYR 95.A OH no hydrogen 2.967 N/A VAL 17.A N TYR 6.A O no hydrogen 3.464 N/A GLU 19.A N THR 4.A O no hydrogen 2.904 N/A ARG 20.A NE ASP 35.A OD1 no hydrogen 2.674 N/A ARG 20.A NH2 ASP 35.A OD1 no hydrogen 3.077 N/A ARG 20.A NH2 ASP 35.A OD2 no hydrogen 2.802 N/A TYR 21.A N PRO 18.A O no hydrogen 2.901 N/A TYR 21.A OH ASP 80.A OD2 no hydrogen 2.604 N/A GLN 22.A N PHE 34.A O no hydrogen 3.012 N/A GLN 22.A NE2 GLU 19.A O no hydrogen 2.776 N/A SER 25.A N ALA 32.A O no hydrogen 2.950 N/A SER 25.A OG PRO 26.A O no hydrogen 2.958 N/A GLY 28.A N VAL 30.A O no hydrogen 3.464 N/A CYS 31.A N VAL 44.A O no hydrogen 2.875 N/A ALA 32.A N SER 25.A O no hydrogen 3.004 N/A ALA 33.A N VAL 42.A O no hydrogen 2.896 N/A PHE 34.A N GLN 22.A O no hydrogen 2.933 N/A ASP 35.A N LEU 40.A O no hydrogen 2.908 N/A THR 36.A N ARG 20.A O no hydrogen 3.021 N/A THR 36.A OG1 ARG 20.A O no hydrogen 3.047 N/A LYS 37.A N ASP 35.A OD1 no hydrogen 3.352 N/A THR 38.A N ASP 35.A O no hydrogen 3.142 N/A THR 38.A OG1 ASP 35.A OD2 no hydrogen 3.013 N/A GLY 39.A N ASP 35.A O no hydrogen 2.788 N/A LEU 40.A N THR 38.A OG1 no hydrogen 3.180 N/A VAL 42.A N ALA 33.A O no hydrogen 2.901 N/A ALA 43.A N THR 98.A O no hydrogen 2.677 N/A VAL 44.A N CYS 31.A O no hydrogen 2.839 N/A LYS 45.A N LEU 96.A O no hydrogen 2.883 N/A LYS 45.A NZ GLU 63.A OE2 no hydrogen 2.718 N/A LYS 46.A N SER 29.A O no hydrogen 3.193 N/A LYS 46.A NZ ILE 14.A O no hydrogen 2.875 N/A LEU 47.A N VAL 94.A O no hydrogen 3.038 N/A GLN 52.A N ARG 49.A O no hydrogen 3.380 N/A HIS 56.A N SER 53.A OG no hydrogen 3.304 N/A ALA 57.A N SER 53.A O no hydrogen 2.591 N/A LYS 58.A N ILE 54.A O no hydrogen 3.010 N/A LYS 58.A NZ GLU 318.A O no hydrogen 2.366 N/A LYS 58.A NZ ARG 320.A O no hydrogen 3.303 N/A ARG 59.A N ILE 55.A O no hydrogen 3.072 N/A THR 60.A N HIS 56.A O no hydrogen 2.965 N/A THR 60.A OG1 PRO 50.A O no hydrogen 3.004 N/A THR 60.A OG1 HIS 56.A O no hydrogen 3.484 N/A TYR 61.A N ALA 57.A O no hydrogen 3.229 N/A ARG 62.A N LYS 58.A O no hydrogen 2.797 N/A ARG 62.A NE GLU 318.A OE1 no hydrogen 3.208 N/A ARG 62.A NE GLU 318.A OE2 no hydrogen 2.734 N/A ARG 62.A NH2 GLU 318.A OE1 no hydrogen 2.694 N/A GLU 63.A N ARG 59.A O no hydrogen 2.867 N/A LEU 64.A N THR 60.A O no hydrogen 2.979 N/A ARG 65.A N TYR 61.A O no hydrogen 2.762 N/A ARG 65.A NH1 TYR 61.A OH no hydrogen 3.062 N/A ARG 65.A NH2 ASP 314.A O no hydrogen 2.903 N/A LEU 66.A N ARG 62.A O no hydrogen 3.047 N/A LEU 67.A N GLU 63.A O no hydrogen 2.838 N/A LYS 68.A N LEU 64.A O no hydrogen 2.933 N/A LYS 68.A NZ GLU 334.A O no hydrogen 2.662 N/A LYS 68.A NZ GLU 334.A OE1 no hydrogen 2.974 N/A HIS 69.A N ARG 65.A O no hydrogen 3.061 N/A HIS 69.A N LEU 66.A O no hydrogen 3.023 N/A HIS 69.A NE2 PRO 312.A O no hydrogen 3.152 N/A MET 70.A N LEU 66.A O no hydrogen 3.071 N/A LYS 71.A N TYR 132.A OH no hydrogen 2.854 N/A ASN 74.A N HIS 72.A ND1 no hydrogen 3.041 N/A ASN 74.A ND2 GLN 125.A OE1 no hydrogen 3.264 N/A ASN 74.A ND2 LEU 156.A O no hydrogen 2.978 N/A VAL 75.A N HIS 72.A O no hydrogen 3.236 N/A ILE 76.A N ILE 158.A O no hydrogen 2.770 N/A LEU 79.A N VAL 97.A O no hydrogen 3.064 N/A PHE 82.A N TYR 95.A O no hydrogen 3.032 N/A THR 83.A OG1 ASP 93.A O no hydrogen 2.866 N/A ALA 85.A N THR 83.A OG1 no hydrogen 3.253 N/A ARG 86.A N GLU 90.A OE1 no hydrogen 2.904 N/A SER 87.A OG GLU 89.A OE1 no hydrogen 3.061 N/A SER 87.A OG GLU 90.A OE2 no hydrogen 2.489 N/A GLU 90.A N SER 87.A O no hydrogen 3.250 N/A PHE 91.A N SER 87.A O no hydrogen 2.780 N/A PHE 91.A N LEU 88.A O no hydrogen 3.231 N/A ASN 92.A ND2 PHE 91.A O no hydrogen 3.547 N/A TYR 95.A N PHE 82.A O no hydrogen 2.947 N/A LEU 96.A N LYS 45.A O no hydrogen 2.687 N/A VAL 97.A N ASP 80.A O no hydrogen 2.709 N/A THR 98.A N ALA 43.A O no hydrogen 2.807 N/A THR 98.A OG1 GLY 77.A O no hydrogen 3.257 N/A LEU 100.A N ARG 41.A O no hydrogen 3.289 N/A LEU 105.A N LEU 148.A O no hydrogen 3.275 N/A ASN 107.A N ASP 104.A OD1 no hydrogen 3.147 N/A ILE 108.A N LEU 105.A O no hydrogen 2.721 N/A VAL 109.A N LEU 105.A O no hydrogen 2.741 N/A GLN 112.A NE2 VAL 109.A O no hydrogen 2.868 N/A LEU 114.A N LEU 206.A O no hydrogen 3.146 N/A THR 115.A OG1 HIS 118.A ND1 no hydrogen 2.539 N/A HIS 118.A N THR 115.A OG1 no hydrogen 3.333 N/A HIS 118.A ND1 THR 115.A OG1 no hydrogen 2.539 N/A VAL 119.A N THR 115.A O no hydrogen 3.031 N/A GLN 120.A N ASP 116.A O no hydrogen 2.959 N/A GLN 120.A NE2 ASP 116.A O no hydrogen 3.097 N/A PHE 121.A N ASP 117.A O no hydrogen 3.261 N/A LEU 122.A N HIS 118.A O no hydrogen 2.945 N/A ILE 123.A N VAL 119.A O no hydrogen 3.157 N/A TYR 124.A N GLN 120.A O no hydrogen 2.768 N/A TYR 124.A OH GLU 307.A OE2 no hydrogen 2.474 N/A GLN 125.A N PHE 121.A O no hydrogen 3.396 N/A GLN 125.A NE2 PHE 121.A O no hydrogen 2.937 N/A GLN 125.A NE2 CYS 154.A O no hydrogen 2.713 N/A ILE 126.A N LEU 122.A O no hydrogen 3.111 N/A LEU 127.A N ILE 123.A O no hydrogen 2.871 N/A ARG 128.A N TYR 124.A O no hydrogen 2.886 N/A ARG 128.A NE ASP 306.A O no hydrogen 2.828 N/A ARG 128.A NH1 ASN 74.A OD1 no hydrogen 2.772 N/A ARG 128.A NH2 GLU 73.A OE1 no hydrogen 3.515 N/A ARG 128.A NH2 GLU 73.A OE2 no hydrogen 3.292 N/A ARG 128.A NH2 ASP 306.A O no hydrogen 3.414 N/A GLY 129.A N GLN 125.A O no hydrogen 2.931 N/A LEU 130.A N ILE 126.A O no hydrogen 2.708 N/A LYS 131.A N LEU 127.A O no hydrogen 2.743 N/A LYS 131.A NZ GLU 307.A O no hydrogen 2.690 N/A TYR 132.A N ARG 128.A O no hydrogen 3.201 N/A TYR 132.A OH HIS 69.A O no hydrogen 3.366 N/A ILE 133.A N GLY 129.A O no hydrogen 2.945 N/A HIS 134.A N LEU 130.A O no hydrogen 2.811 N/A HIS 134.A NE2 ASP 195.A OD2 no hydrogen 2.885 N/A SER 135.A N LYS 131.A O no hydrogen 3.174 N/A SER 135.A OG LYS 131.A O no hydrogen 3.066 N/A SER 135.A OG TYR 132.A O no hydrogen 2.448 N/A ALA 136.A N ILE 133.A O no hydrogen 3.095 N/A ILE 138.A N ILE 133.A O no hydrogen 3.455 N/A HIS 140.A N ASP 195.A OD2 no hydrogen 3.095 N/A HIS 140.A NE2 LEU 159.A O no hydrogen 2.538 N/A ARG 141.A N ASP 195.A OD1 no hydrogen 3.057 N/A ASP 142.A N HIS 140.A O no hydrogen 2.782 N/A ASN 147.A N LYS 144.A O no hydrogen 2.883 N/A LEU 148.A N PRO 145.A O no hydrogen 3.194 N/A ALA 149.A N LYS 157.A O no hydrogen 2.868 N/A VAL 150.A N ALA 103.A O no hydrogen 3.064 N/A ASN 151.A N GLU 155.A O no hydrogen 3.269 N/A ASN 151.A ND2 GLU 155.A OE1 no hydrogen 3.137 N/A ASP 153.A N ASN 151.A OD1 no hydrogen 2.764 N/A CYS 154.A N ASN 151.A O no hydrogen 3.051 N/A LEU 156.A N GLN 125.A OE1 no hydrogen 2.675 N/A LYS 157.A N ALA 149.A O no hydrogen 2.766 N/A ILE 158.A N ASN 74.A O no hydrogen 2.700 N/A LEU 159.A N ASN 147.A O no hydrogen 2.875 N/A GLY 162.A N HIS 140.A O no hydrogen 2.913 N/A LEU 163.A N PHE 161.A O no hydrogen 2.846 N/A MET 169.A N ASP 166.A O no hydrogen 3.412 N/A THR 170.A N ASP 167.A O no hydrogen 3.375 N/A THR 170.A OG1 ASP 166.A O no hydrogen 2.457 N/A THR 175.A OG1 GLU 168.A O no hydrogen 2.771 N/A ARG 176.A N VAL 173.A O no hydrogen 3.241 N/A ARG 176.A NE GLN 221.A OE1 no hydrogen 3.051 N/A ARG 176.A NH1 MET 169.A O no hydrogen 2.893 N/A ARG 176.A NH1 GLY 171.A O no hydrogen 2.960 N/A ARG 176.A NH2 GLY 171.A O no hydrogen 3.288 N/A TRP 177.A NE1 GLY 215.A O no hydrogen 3.133 N/A TYR 178.A OH GLU 205.A OE1 no hydrogen 2.675 N/A ILE 183.A N ALA 180.A O no hydrogen 3.008 N/A MET 184.A N ALA 180.A O no hydrogen 3.101 N/A LEU 185.A N PRO 181.A O no hydrogen 2.905 N/A ASN 186.A N ILE 183.A O no hydrogen 3.116 N/A TRP 187.A N GLU 182.A O no hydrogen 2.724 N/A THR 193.A OG1 SER 283.A O no hydrogen 3.164 N/A ASP 195.A N GLN 192.A O no hydrogen 3.085 N/A ILE 196.A N THR 193.A O no hydrogen 2.637 N/A TRP 197.A N THR 193.A O no hydrogen 3.217 N/A SER 198.A OG TYR 178.A O no hydrogen 2.659 N/A SER 198.A OG VAL 194.A O no hydrogen 3.140 N/A VAL 199.A N ASP 195.A O no hydrogen 2.937 N/A GLY 200.A N ILE 196.A O no hydrogen 3.068 N/A CYS 201.A N TRP 197.A O no hydrogen 3.150 N/A CYS 201.A N SER 198.A O no hydrogen 3.148 N/A CYS 201.A SG TRP 177.A O no hydrogen 3.897 N/A CYS 201.A SG TRP 197.A O no hydrogen 3.480 N/A ILE 202.A N SER 198.A O no hydrogen 3.009 N/A MET 203.A N VAL 199.A O no hydrogen 2.810 N/A ALA 204.A N GLY 200.A O no hydrogen 3.296 N/A GLU 205.A N CYS 201.A O no hydrogen 2.913 N/A LEU 206.A N ILE 202.A O no hydrogen 2.881 N/A LEU 207.A N MET 203.A O no hydrogen 3.111 N/A THR 208.A N ALA 204.A O no hydrogen 2.760 N/A THR 208.A OG1 ALA 204.A O no hydrogen 2.908 N/A THR 208.A OG1 ARG 210.A O no hydrogen 3.131 N/A GLY 209.A N GLU 205.A O no hydrogen 2.492 N/A ARG 210.A N THR 208.A OG1 no hydrogen 3.399 N/A GLY 215.A N PHE 213.A O no hydrogen 2.810 N/A THR 216.A N ASP 220.A OD2 no hydrogen 2.861 N/A THR 216.A OG1 ASP 220.A OD2 no hydrogen 3.068 N/A HIS 218.A NE2 MET 169.A O no hydrogen 3.146 N/A ILE 219.A N ASP 217.A OD1 no hydrogen 2.685 N/A ASP 220.A N ASP 217.A OD1 no hydrogen 2.672 N/A GLN 221.A N ASP 217.A O no hydrogen 2.881 N/A GLN 221.A NE2 ARG 176.A O no hydrogen 2.806 N/A LEU 222.A N HIS 218.A O no hydrogen 3.009 N/A LYS 223.A N ILE 219.A O no hydrogen 3.011 N/A LEU 224.A N ASP 220.A O no hydrogen 2.952 N/A ILE 225.A N GLN 221.A O no hydrogen 2.840 N/A LEU 226.A N LEU 222.A O no hydrogen 2.776 N/A ARG 227.A N LYS 223.A O no hydrogen 3.154 N/A LEU 228.A N LEU 224.A O no hydrogen 3.434 N/A VAL 229.A N ILE 225.A O no hydrogen 3.038 N/A THR 231.A N MET 255.A O no hydrogen 3.101 N/A THR 231.A OG1 MET 255.A O no hydrogen 3.191 N/A LEU 237.A N GLY 233.A O no hydrogen 3.083 N/A LYS 238.A N ALA 234.A O no hydrogen 3.184 N/A LYS 239.A N LEU 236.A O no hydrogen 2.866 N/A LYS 239.A NZ ASP 282.A OD1 no hydrogen 2.994 N/A LYS 239.A NZ ASP 282.A OD2 no hydrogen 3.004 N/A LYS 239.A NZ ASP 284.A OD1 no hydrogen 3.016 N/A ILE 240.A N LEU 236.A O no hydrogen 3.120 N/A SER 241.A N TRP 187.A O no hydrogen 3.198 N/A ARG 246.A N SER 242.A O no hydrogen 3.179 N/A ARG 246.A NH1 ILE 240.A O no hydrogen 2.871 N/A ASN 247.A N GLU 243.A O no hydrogen 2.909 N/A TYR 248.A N SER 244.A O no hydrogen 3.029 N/A ILE 249.A N ALA 245.A O no hydrogen 2.886 N/A GLN 250.A N ARG 246.A O no hydrogen 2.723 N/A SER 251.A N ASN 247.A O no hydrogen 2.956 N/A SER 251.A OG TYR 248.A O no hydrogen 2.624 N/A LEU 252.A N TYR 248.A O no hydrogen 3.330 N/A LEU 252.A N ILE 249.A O no hydrogen 2.832 N/A MET 255.A N THR 231.A OG1 no hydrogen 3.004 N/A LYS 257.A NZ MET 258.A O no hydrogen 2.882 N/A LYS 257.A NZ GLU 276.A OE2 no hydrogen 2.932 N/A MET 258.A N LEU 228.A O no hydrogen 3.158 N/A ASN 262.A N ASN 259.A O no hydrogen 3.315 N/A VAL 263.A N PHE 260.A O no hydrogen 2.897 N/A PHE 264.A N PHE 260.A O no hydrogen 2.647 N/A ALA 267.A N PHE 264.A O no hydrogen 3.105 N/A ASN 268.A ND2 ASP 116.A OD2 no hydrogen 2.900 N/A LEU 270.A N ASN 268.A OD1 no hydrogen 2.828 N/A VAL 272.A N ASN 268.A O no hydrogen 3.099 N/A ASP 273.A N PRO 269.A O no hydrogen 2.890 N/A LEU 274.A N LEU 270.A O no hydrogen 2.989 N/A LEU 275.A N ALA 271.A O no hydrogen 2.778 N/A GLU 276.A N VAL 272.A O no hydrogen 2.894 N/A LYS 277.A N ASP 273.A O no hydrogen 3.138 N/A LYS 277.A N LEU 274.A O no hydrogen 2.765 N/A LYS 277.A NZ ASP 273.A OD1 no hydrogen 2.781 N/A LYS 277.A NZ ASP 273.A OD2 no hydrogen 2.699 N/A MET 278.A N LEU 274.A O no hydrogen 2.816 N/A MET 278.A N LEU 275.A O no hydrogen 2.945 N/A LEU 279.A N LEU 275.A O no hydrogen 2.848 N/A VAL 280.A N MET 278.A O no hydrogen 2.754 N/A LYS 285.A N ASP 282.A O no hydrogen 2.710 N/A LYS 285.A NZ GLU 235.A OE1 no hydrogen 3.344 N/A ARG 286.A N SER 283.A O no hydrogen 3.464 N/A ARG 286.A NE VAL 280.A O no hydrogen 2.628 N/A ARG 286.A NH1 GLU 182.A OE2 no hydrogen 3.058 N/A ARG 286.A NH2 GLU 182.A OE1 no hydrogen 2.536 N/A ARG 286.A NH2 VAL 280.A O no hydrogen 3.163 N/A ILE 287.A N LYS 277.A O no hydrogen 3.047 N/A THR 288.A N GLN 291.A OE1 no hydrogen 3.169 N/A GLN 291.A N THR 288.A OG1 no hydrogen 3.042 N/A ALA 292.A N ALA 289.A O no hydrogen 3.218 N/A LEU 293.A N ALA 289.A O no hydrogen 3.135 N/A HIS 295.A N ALA 292.A O no hydrogen 2.939 N/A HIS 295.A NE2 ASP 273.A OD2 no hydrogen 2.622 N/A TYR 297.A N HIS 295.A ND1 no hydrogen 3.083 N/A TYR 297.A OH ASP 116.A OD1 no hydrogen 2.928 N/A PHE 298.A N HIS 295.A O no hydrogen 3.266 N/A ALA 299.A N ALA 296.A O no hydrogen 2.758 N/A TYR 301.A N PHE 298.A O no hydrogen 3.045 N/A TYR 301.A OH ASP 117.A OD1 no hydrogen 2.874 N/A HIS 302.A N PHE 298.A O no hydrogen 2.616 N/A HIS 302.A ND1 GLU 307.A OE2 no hydrogen 2.962 N/A ASP 303.A N GLU 307.A OE2 no hydrogen 3.411 N/A ASP 305.A N ASP 303.A OD1 no hydrogen 3.105 N/A ASP 306.A N ASP 303.A O no hydrogen 2.735 N/A ALA 310.A N SER 135.A OG no hydrogen 3.136 N/A SER 316.A N ASP 314.A OD1 no hydrogen 3.280 N/A SER 316.A OG ASP 314.A OD1 no hydrogen 2.346 N/A GLU 318.A N GLN 315.A O no hydrogen 2.856 N/A SER 319.A OG SER 319.A O no hydrogen 2.457 N/A LEU 323.A N GLU 326.A OE1 no hydrogen 3.065 N/A TRP 327.A N LEU 323.A O no hydrogen 3.059 N/A LYS 328.A N ILE 324.A O no hydrogen 2.969 N/A LYS 328.A NZ LEU 88.A O no hydrogen 3.255 N/A LYS 328.A NZ PHE 91.A O no hydrogen 2.784 N/A SER 329.A N ASP 325.A O no hydrogen 2.996 N/A LEU 330.A N GLU 326.A O no hydrogen 3.154 N/A THR 331.A N TRP 327.A O no hydrogen 2.764 N/A THR 331.A OG1 TRP 327.A O no hydrogen 3.062 N/A TYR 332.A N LYS 328.A O no hydrogen 2.686 N/A ASP 333.A N SER 329.A O no hydrogen 2.831 N/A GLU 334.A N LEU 330.A O no hydrogen 3.276 N/A VAL 335.A N THR 331.A O no hydrogen 3.005 N/A ILE 336.A N TYR 332.A O no hydrogen 2.964 N/A SER 337.A N ASP 333.A O no hydrogen 2.939 N/A SER 337.A OG ASP 333.A O no hydrogen 2.928 N/A SER 337.A OG GLU 334.A O no hydrogen 3.258 N/A PHE 338.A N VAL 335.A O no hydrogen 3.248 N/A