Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pw3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 6.A OH ASP 20.A O no hydrogen 2.666 N/A VAL 7.A N PRO 4.A O no hydrogen 3.091 N/A ALA 8.A N ASP 5.A O no hydrogen 3.253 N/A LYS 10.A N VAL 7.A O no hydrogen 3.039 N/A LYS 10.A NZ GLU 38.A O no hydrogen 2.770 N/A LYS 10.A NZ LEU 41.A O no hydrogen 2.645 N/A LYS 10.A NZ HIS 194.A NE2 no hydrogen 2.886 N/A ASP 11.A N GLU 39.A O no hydrogen 2.812 N/A ASP 13.A N ASP 11.A OD1 no hydrogen 3.206 N/A ALA 14.A N ASP 11.A O no hydrogen 2.970 N/A LEU 15.A N ALA 12.A O no hydrogen 3.343 N/A ILE 16.A N GLU 24.A O no hydrogen 2.680 N/A HIS 18.A N THR 22.A O no hydrogen 2.979 N/A HIS 18.A NE2 GLU 24.A OE1 no hydrogen 2.853 N/A SER 19.A N THR 22.A O no hydrogen 3.149 N/A LYS 21.A N SER 19.A OG no hydrogen 3.126 N/A LYS 21.A NZ ASN 48.A OD1 no hydrogen 3.186 N/A THR 22.A N SER 19.A O no hydrogen 3.199 N/A THR 22.A OG1 SER 19.A OG no hydrogen 3.339 N/A LEU 23.A N ILE 43.A O no hydrogen 2.998 N/A GLU 24.A N ILE 16.A O no hydrogen 2.876 N/A THR 25.A N GLY 119.A O no hydrogen 3.125 N/A THR 25.A OG1 LYS 40.A O no hydrogen 2.779 N/A THR 25.A OG1 GLY 119.A O no hydrogen 3.347 N/A LYS 26.A N ALA 14.A O no hydrogen 2.964 N/A LYS 26.A NZ ASP 13.A O no hydrogen 2.641 N/A ARG 27.A NE ILE 258.A O no hydrogen 2.821 N/A ARG 27.A NH1 PRO 358.A O no hydrogen 3.228 N/A ARG 27.A NH2 ILE 258.A O no hydrogen 3.041 N/A ARG 27.A NH2 PRO 358.A O no hydrogen 2.521 N/A GLU 29.A N LYS 26.A O no hydrogen 3.129 N/A ILE 35.A N SER 33.A O no hydrogen 2.849 N/A THR 36.A N CYS 123.A O no hydrogen 2.921 N/A THR 36.A OG1 CYS 123.A O no hydrogen 3.470 N/A GLU 39.A N GLU 39.A OE1 no hydrogen 2.671 N/A LYS 40.A N PRO 37.A O no hydrogen 2.902 N/A LYS 40.A NZ GLU 29.A OE1 no hydrogen 2.650 N/A LEU 41.A N GLU 38.A O no hydrogen 3.218 N/A ILE 43.A N LEU 23.A O no hydrogen 2.905 N/A ASN 45.A N LYS 21.A O no hydrogen 2.963 N/A ASN 45.A ND2 TYR 6.A OH no hydrogen 3.356 N/A ASN 46.A ND2 TYR 233.A OH no hydrogen 2.723 N/A ILE 54.A N PRO 51.A O no hydrogen 3.243 N/A LEU 55.A N GLU 52.A O no hydrogen 3.107 N/A ALA 56.A N SER 53.A O no hydrogen 3.082 N/A ARG 58.A NH2 LEU 190.A O no hydrogen 2.509 N/A GLY 60.A N ASP 57.A O no hydrogen 3.273 N/A TRP 61.A N ARG 58.A O no hydrogen 3.111 N/A TRP 61.A NE1 VAL 214.A O no hydrogen 3.039 N/A VAL 63.A N LEU 74.A O no hydrogen 2.937 N/A GLU 64.A N LYS 215.A O no hydrogen 2.821 N/A ILE 65.A N ARG 72.A O no hydrogen 3.092 N/A SER 66.A N VAL 217.A O no hydrogen 3.059 N/A LYS 69.A N GLY 140.A O no hydrogen 3.065 N/A GLU 70.A N LEU 138.A O no hydrogen 2.872 N/A ARG 72.A NH2 GLU 78.A OE2 no hydrogen 3.127 N/A LEU 74.A N VAL 63.A O no hydrogen 3.065 N/A THR 75.A N GLU 78.A OE1 no hydrogen 2.793 N/A THR 75.A OG1 GLU 78.A OE1 no hydrogen 3.264 N/A VAL 76.A N TRP 61.A O no hydrogen 2.961 N/A ALA 77.A N ASP 59.A O no hydrogen 2.920 N/A GLU 78.A N THR 75.A OG1 no hydrogen 3.151 N/A LEU 79.A N THR 75.A O no hydrogen 2.826 N/A LYS 80.A N VAL 76.A O no hydrogen 2.983 N/A LYS 80.A NZ ASP 59.A OD1 no hydrogen 2.821 N/A THR 81.A N GLU 78.A O no hydrogen 2.814 N/A THR 81.A OG1 GLU 78.A O no hydrogen 2.499 N/A LEU 82.A N LEU 79.A O no hydrogen 3.160 N/A VAL 85.A N GLY 128.A O no hydrogen 2.770 N/A THR 86.A OG1 SER 127.A OG no hydrogen 2.858 N/A ALA 87.A N TRP 126.A O no hydrogen 3.034 N/A THR 89.A N VAL 124.A O no hydrogen 2.997 N/A VAL 90.A N PHE 309.A O no hydrogen 3.068 N/A LEU 91.A N GLY 122.A O no hydrogen 2.722 N/A CYS 93.A N ALA 120.A O no hydrogen 2.980 N/A ASN 96.A N CYS 93.A O no hydrogen 2.967 N/A ASN 96.A ND2 GLN 92.A OE1 no hydrogen 2.800 N/A ASN 96.A ND2 VAL 118.A O no hydrogen 3.389 N/A ARG 98.A N GLY 95.A O no hydrogen 2.786 N/A ARG 98.A NE ALA 348.A O no hydrogen 2.801 N/A ARG 98.A NH1 THR 114.A O no hydrogen 3.053 N/A ARG 98.A NH2 ALA 348.A O no hydrogen 3.099 N/A LYS 99.A N TRP 116.A O no hydrogen 2.902 N/A TYR 100.A N GLY 97.A O no hydrogen 3.083 N/A LYS 102.A N ARG 98.A O no hydrogen 3.037 N/A LYS 102.A NZ MET 111.A O no hydrogen 2.989 N/A LYS 102.A NZ GLY 113.A O no hydrogen 2.891 N/A ASP 103.A N LYS 99.A O no hydrogen 2.983 N/A GLN 104.A N PHE 101.A O no hydrogen 3.041 N/A LEU 105.A N LYS 102.A O no hydrogen 3.209 N/A THR 106.A N GLN 109.A OE1 no hydrogen 3.094 N/A THR 106.A OG1 GLN 109.A OE1 no hydrogen 3.560 N/A GLN 109.A N THR 106.A O no hydrogen 3.252 N/A TRP 116.A N THR 114.A O no hydrogen 2.830 N/A THR 117.A N GLU 24.A OE2 no hydrogen 2.930 N/A THR 117.A OG1 GLU 24.A OE2 no hydrogen 2.760 N/A GLY 119.A N GLU 24.A OE2 no hydrogen 3.050 N/A ALA 120.A N ASN 96.A OD1 no hydrogen 2.972 N/A GLY 122.A N LEU 91.A O no hydrogen 2.766 N/A CYS 123.A N THR 36.A OG1 no hydrogen 2.988 N/A CYS 123.A SG THR 89.A O no hydrogen 3.550 N/A VAL 124.A N THR 89.A O no hydrogen 3.036 N/A ILE 125.A N ASN 186.A OD1 no hydrogen 2.929 N/A TRP 126.A N ALA 87.A O no hydrogen 2.791 N/A TRP 126.A NE1 THR 89.A OG1 no hydrogen 2.888 N/A SER 127.A N GLU 184.A O no hydrogen 2.917 N/A SER 127.A OG VAL 85.A O no hydrogen 3.261 N/A SER 127.A OG THR 86.A OG1 no hydrogen 2.858 N/A GLY 128.A N VAL 85.A O no hydrogen 2.910 N/A VAL 129.A N LEU 181.A O no hydrogen 2.970 N/A LEU 131.A N VAL 179.A O no hydrogen 2.883 N/A VAL 134.A N PRO 130.A O no hydrogen 3.329 N/A VAL 135.A N LEU 131.A O no hydrogen 2.767 N/A ASP 136.A N LYS 132.A O no hydrogen 2.745 N/A ALA 137.A N ALA 133.A O no hydrogen 2.953 N/A LEU 138.A N VAL 134.A O no hydrogen 3.313 N/A LEU 138.A N VAL 135.A O no hydrogen 3.139 N/A GLY 139.A N ASP 136.A O no hydrogen 3.318 N/A GLY 140.A N VAL 135.A O no hydrogen 2.769 N/A ALA 142.A N GLY 67.A O no hydrogen 2.874 N/A ALA 145.A N ALA 142.A O no hydrogen 3.113 N/A ARG 146.A N THR 220.A O no hydrogen 2.871 N/A PHE 147.A N THR 220.A O no hydrogen 2.870 N/A ILE 148.A N VAL 171.A O no hydrogen 2.684 N/A THR 149.A N ALA 218.A O no hydrogen 2.764 N/A THR 149.A OG1 SER 170.A OG no hydrogen 2.554 N/A THR 149.A OG1 THR 220.A OG1 no hydrogen 3.003 N/A GLY 150.A N ARG 169.A O no hydrogen 2.895 N/A THR 151.A N ALA 216.A O no hydrogen 2.941 N/A THR 151.A OG1 GLU 168.A OE1 no hydrogen 2.538 N/A GLY 152.A N VAL 167.A O no hydrogen 2.776 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.869 N/A LYS 163.A N ASP 161.A OD1 no hydrogen 3.318 N/A LYS 163.A NZ ASP 225.A OD1 no hydrogen 2.963 N/A LEU 164.A N ASP 161.A O no hydrogen 3.249 N/A LEU 165.A N PRO 162.A O no hydrogen 3.167 N/A VAL 166.A N PRO 162.A O no hydrogen 2.857 N/A ARG 169.A N GLY 150.A O no hydrogen 3.039 N/A ARG 169.A NE ASN 209.A OD1 no hydrogen 3.062 N/A ARG 169.A NH1 ILE 228.A O no hydrogen 3.097 N/A ARG 169.A NH1 SER 248.A OG no hydrogen 3.367 N/A ARG 169.A NH2 ASN 209.A OD1 no hydrogen 2.967 N/A ARG 169.A NH2 SER 248.A OG no hydrogen 2.710 N/A SER 170.A N GLN 229.A OE1 no hydrogen 2.779 N/A SER 170.A OG THR 149.A OG1 no hydrogen 2.554 N/A VAL 171.A N ILE 148.A O no hydrogen 2.930 N/A ILE 173.A N ARG 146.A O no hydrogen 2.896 N/A ASN 175.A N PRO 172.A O no hydrogen 3.331 N/A ASN 175.A ND2 PRO 172.A O no hydrogen 3.004 N/A ASN 175.A ND2 TYR 205.A OH no hydrogen 2.838 N/A LEU 176.A N ILE 173.A O no hydrogen 3.038 N/A ASN 178.A N ASN 175.A O no hydrogen 2.916 N/A VAL 179.A N ASN 175.A O no hydrogen 3.029 N/A VAL 179.A N LEU 176.A O no hydrogen 3.325 N/A ILE 180.A N VAL 201.A O no hydrogen 2.933 N/A LEU 181.A N VAL 129.A O no hydrogen 2.888 N/A ALA 182.A N ARG 199.A O no hydrogen 2.738 N/A TRP 183.A N SER 127.A O no hydrogen 3.151 N/A GLU 184.A N SER 127.A O no hydrogen 3.182 N/A MET 185.A N ARG 188.A O no hydrogen 2.983 N/A ASN 186.A N ILE 125.A O no hydrogen 2.829 N/A ASN 186.A ND2 THR 36.A O no hydrogen 3.384 N/A ARG 188.A N MET 185.A O no hydrogen 3.091 N/A LEU 190.A N TRP 183.A O no hydrogen 2.848 N/A HIS 194.A N SER 191.A O no hydrogen 3.262 N/A HIS 194.A N SER 191.A OG no hydrogen 3.249 N/A GLY 195.A N LEU 192.A O no hydrogen 3.235 N/A GLY 196.A N SER 191.A O no hydrogen 2.797 N/A ARG 199.A N ALA 182.A O no hydrogen 2.822 N/A ARG 199.A NE ASN 210.A O no hydrogen 2.967 N/A ARG 199.A NH1 HIS 194.A O no hydrogen 2.794 N/A ARG 199.A NH2 ASN 210.A O no hydrogen 2.944 N/A MET 200.A N ILE 211.A O no hydrogen 3.062 N/A VAL 201.A N ILE 180.A O no hydrogen 2.682 N/A VAL 202.A N ASN 210.A OD1 no hydrogen 2.723 N/A TYR 205.A N VAL 202.A O no hydrogen 3.289 N/A SER 206.A N TRP 250.A O no hydrogen 2.882 N/A SER 206.A OG TRP 250.A O no hydrogen 3.522 N/A GLY 207.A N GLN 92.A O no hydrogen 2.611 N/A ASN 209.A N SER 206.A O no hydrogen 3.032 N/A ASN 209.A ND2 SER 206.A O no hydrogen 3.323 N/A ASN 209.A ND2 VAL 249.A O no hydrogen 2.861 N/A ASN 210.A N GLY 207.A O no hydrogen 2.770 N/A ASN 210.A ND2 SER 206.A O no hydrogen 3.074 N/A ASN 210.A ND2 GLY 207.A O no hydrogen 3.451 N/A LYS 212.A NZ ASN 45.A OD1 no hydrogen 2.817 N/A LYS 212.A NZ ALA 193.A O no hydrogen 2.733 N/A TYR 213.A N GLY 195.A O no hydrogen 2.779 N/A VAL 214.A N LEU 198.A O no hydrogen 2.865 N/A LYS 215.A N THR 151.A O no hydrogen 2.930 N/A VAL 217.A N GLU 64.A O no hydrogen 2.876 N/A ALA 218.A N THR 149.A O no hydrogen 2.858 N/A MET 219.A N SER 66.A O no hydrogen 3.090 N/A THR 220.A N PHE 147.A O no hydrogen 2.893 N/A THR 220.A OG1 THR 149.A OG1 no hydrogen 3.003 N/A THR 220.A OG1 VAL 222.A O no hydrogen 2.624 N/A THR 224.A N SER 170.A OG no hydrogen 2.915 N/A THR 224.A OG1 GLU 168.A OE2 no hydrogen 2.509 N/A ALA 226.A N THR 224.A OG1 no hydrogen 3.077 N/A LYS 227.A N LYS 163.A O no hydrogen 2.745 N/A GLN 229.A N ALA 226.A O no hydrogen 2.904 N/A GLN 229.A NE2 SER 170.A O no hydrogen 3.576 N/A GLN 229.A NE2 GLU 223.A OE1 no hydrogen 3.112 N/A LYS 230.A N ALA 226.A O no hydrogen 2.858 N/A THR 231.A N LYS 227.A O no hydrogen 3.180 N/A THR 231.A OG1 LYS 227.A O no hydrogen 3.527 N/A SER 232.A N LYS 227.A O no hydrogen 3.160 N/A SER 232.A OG LYS 227.A O no hydrogen 3.542 N/A ARG 234.A NE GLN 229.A O no hydrogen 3.135 N/A ARG 234.A NE LYS 230.A O no hydrogen 3.288 N/A ARG 234.A NH1 GLN 246.A O no hydrogen 2.671 N/A ARG 234.A NH2 GLU 223.A OE1 no hydrogen 2.916 N/A ARG 234.A NH2 GLN 229.A O no hydrogen 2.838 N/A VAL 235.A N PRO 247.A O no hydrogen 2.840 N/A GLU 240.A N ALA 237.A O no hydrogen 3.192 N/A SER 243.A N GLN 246.A OE1 no hydrogen 3.043 N/A SER 243.A OG ASP 245.A OD2 no hydrogen 2.517 N/A GLN 246.A N SER 243.A O no hydrogen 3.008 N/A GLN 246.A NE2 LYS 241.A O no hydrogen 3.335 N/A SER 248.A OG TYR 233.A O no hydrogen 3.243 N/A VAL 249.A N TYR 233.A O no hydrogen 3.095 N/A TRP 250.A NE1 SER 170.A O no hydrogen 2.905 N/A GLN 252.A N GLY 204.A O no hydrogen 2.867 N/A LYS 255.A N PHE 277.A O no hydrogen 3.000 N/A LYS 255.A NZ GLN 92.A OE1 no hydrogen 2.720 N/A LYS 255.A NZ ASN 96.A O no hydrogen 3.343 N/A LYS 255.A NZ HIS 352.A O no hydrogen 2.912 N/A SER 256.A OG SER 329.A OG no hydrogen 2.612 N/A SER 256.A OG GLN 339.A OE1 no hydrogen 2.713 N/A TRP 257.A N VAL 275.A O no hydrogen 3.154 N/A THR 259.A N ALA 273.A O no hydrogen 2.860 N/A THR 259.A OG1 ALA 273.A O no hydrogen 3.525 N/A THR 260.A N ALA 273.A O no hydrogen 3.202 N/A ALA 265.A N THR 363.A O no hydrogen 3.158 N/A ALA 267.A N ALA 365.A OXT no hydrogen 2.830 N/A GLY 268.A N LEU 320.A O no hydrogen 2.883 N/A GLN 269.A NE2 SER 317.A OG no hydrogen 3.048 N/A VAL 270.A N ALA 318.A O no hydrogen 2.693 N/A GLN 271.A NE2 SER 317.A OG no hydrogen 3.135 N/A ILE 272.A N LEU 316.A O no hydrogen 2.938 N/A ALA 273.A N THR 260.A O no hydrogen 2.868 N/A GLY 274.A N PHE 314.A O no hydrogen 3.076 N/A VAL 275.A N TRP 257.A O no hydrogen 3.135 N/A ALA 276.A N ARG 312.A O no hydrogen 2.946 N/A PHE 277.A N LYS 255.A O no hydrogen 3.066 N/A ASN 281.A N GLY 278.A O no hydrogen 3.287 N/A ASN 281.A ND2 ASP 333.A OD1 no hydrogen 2.959 N/A CYS 283.A SG SER 285.A O no hydrogen 3.499 N/A CYS 283.A SG THR 332.A O no hydrogen 3.707 N/A LYS 284.A N THR 332.A O no hydrogen 2.809 N/A SER 285.A N THR 332.A O no hydrogen 3.282 N/A GLU 287.A N ARG 330.A O no hydrogen 2.860 N/A VAL 288.A N GLN 297.A O no hydrogen 2.857 N/A SER 289.A N VAL 328.A O no hydrogen 2.922 N/A SER 289.A OG THR 295.A O no hydrogen 2.640 N/A ASP 291.A N SER 289.A OG no hydrogen 3.257 N/A GLY 292.A N THR 326.A O no hydrogen 3.038 N/A GLY 293.A N SER 289.A OG no hydrogen 3.056 N/A GLN 294.A NE2 ASP 291.A O no hydrogen 2.912 N/A THR 295.A N ASP 291.A OD1 no hydrogen 2.792 N/A THR 295.A OG1 ASP 291.A OD2 no hydrogen 2.973 N/A GLN 297.A N VAL 288.A O no hydrogen 2.964 N/A ALA 299.A N VAL 286.A O no hydrogen 2.856 N/A GLU 300.A N ALA 315.A O no hydrogen 2.886 N/A ILE 302.A N VAL 313.A O no hydrogen 2.605 N/A GLY 307.A N ASP 305.A OD2 no hydrogen 3.027 N/A ARG 308.A NE MET 280.A O no hydrogen 2.925 N/A ARG 308.A NH1 MET 280.A O no hydrogen 3.273 N/A ALA 310.A N GLY 307.A O no hydrogen 3.200 N/A TRP 311.A NE1 ILE 34.A O no hydrogen 3.002 N/A ARG 312.A N ALA 276.A O no hydrogen 2.783 N/A ARG 312.A NH2 GLY 303.A O no hydrogen 2.999 N/A PHE 314.A N GLY 274.A O no hydrogen 3.003 N/A ALA 315.A N GLU 300.A O no hydrogen 2.773 N/A LEU 316.A N ILE 272.A O no hydrogen 2.741 N/A ALA 318.A N VAL 270.A O no hydrogen 2.880 N/A LEU 320.A N GLY 268.A O no hydrogen 2.770 N/A ARG 322.A NH1 ALA 365.A O no hydrogen 3.092 N/A GLY 323.A N VAL 364.A O no hydrogen 2.932 N/A TYR 325.A N LEU 362.A O no hydrogen 2.766 N/A TYR 325.A OH ALA 321.A O no hydrogen 2.697 N/A THR 326.A N VAL 290.A O no hydrogen 3.064 N/A LEU 327.A N VAL 360.A O no hydrogen 2.707 N/A VAL 328.A N SER 289.A O no hydrogen 3.023 N/A SER 329.A OG SER 256.A OG no hydrogen 2.612 N/A ARG 330.A N GLU 287.A O no hydrogen 2.850 N/A ARG 330.A NH1 GLU 287.A OE1 no hydrogen 2.918 N/A ALA 331.A N GLN 339.A OE1 no hydrogen 2.841 N/A THR 332.A N SER 285.A O no hydrogen 2.858 N/A ASP 333.A N ASN 337.A O no hydrogen 2.893 N/A THR 334.A N ALA 282.A O no hydrogen 3.021 N/A GLU 335.A N ASP 333.A OD2 no hydrogen 3.064 N/A GLY 336.A N ASP 333.A O no hydrogen 3.215 N/A ASN 337.A N ASP 333.A OD2 no hydrogen 2.619 N/A ASN 337.A ND2 ASP 333.A OD1 no hydrogen 2.990 N/A GLN 339.A N ALA 331.A O no hydrogen 3.227 N/A GLN 339.A NE2 ASN 353.A O no hydrogen 2.800 N/A THR 343.A N GLU 342.A OE2 no hydrogen 3.344 N/A THR 343.A OG1 ASN 353.A OD1 no hydrogen 2.673 N/A ASN 346.A ND2 TYR 350.A O no hydrogen 2.706 N/A GLY 347.A N HIS 236.A O no hydrogen 2.718 N/A GLY 349.A N ASN 346.A O no hydrogen 3.049 N/A GLY 349.A N ASN 346.A OD1 no hydrogen 3.014 N/A TYR 350.A N ASN 346.A OD1 no hydrogen 2.961 N/A GLY 351.A N SER 94.A O no hydrogen 2.735 N/A ASN 353.A N THR 343.A OG1 no hydrogen 2.917 N/A ASN 353.A ND2 VAL 254.A O no hydrogen 3.000 N/A TRP 355.A N PRO 340.A O no hydrogen 3.001 N/A ARG 356.A N GLU 341.A O no hydrogen 3.218 N/A ARG 356.A NE GLU 341.A OE2 no hydrogen 2.706 N/A ALA 359.A N ARG 356.A O no hydrogen 3.213 N/A VAL 360.A N LEU 327.A O no hydrogen 2.845 N/A LEU 362.A N TYR 325.A O no hydrogen 2.949 N/A THR 363.A N GLU 263.A O no hydrogen 2.989 N/A VAL 364.A N GLY 323.A O no hydrogen 2.699 N/A ALA 365.A N ALA 265.A O no hydrogen 2.864 N/A