Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pva_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A N ASP 20.A OD2 no hydrogen 3.236 N/A CYS 1.A N ASN 175.A OD1 no hydrogen 2.903 N/A SER 2.A N THR 18.A OG1 no hydrogen 2.936 N/A SER 3.A OG MET 173.A O no hydrogen 2.627 N/A LEU 4.A N ALA 16.A O no hydrogen 2.939 N/A SER 5.A N GLY 171.A O no hydrogen 2.966 N/A ILE 6.A N LEU 14.A O no hydrogen 2.865 N/A ARG 7.A NH1 SER 13.A OG no hydrogen 2.473 N/A ARG 7.A NH1 ALA 149.A O no hydrogen 3.015 N/A THR 8.A N LYS 12.A O no hydrogen 2.726 N/A THR 8.A OG1 LYS 12.A O no hydrogen 3.559 N/A THR 9.A N ALA 242.A O no hydrogen 2.835 N/A THR 9.A OG1 ALA 242.A O no hydrogen 3.318 N/A THR 9.A OG1 LYS 243.A O no hydrogen 3.294 N/A ASP 10.A N THR 8.A OG1 no hydrogen 3.259 N/A LYS 12.A N THR 8.A OG1 no hydrogen 3.023 N/A LYS 12.A NZ GLU 245.A OE1 no hydrogen 2.806 N/A SER 13.A N GLN 285.A OE1 no hydrogen 2.682 N/A SER 13.A OG ALA 149.A O no hydrogen 3.246 N/A LEU 14.A N ILE 6.A O no hydrogen 3.085 N/A PHE 15.A N MET 282.A O no hydrogen 2.948 N/A ALA 16.A N LEU 4.A O no hydrogen 2.810 N/A ARG 17.A N SER 280.A O no hydrogen 3.041 N/A ARG 17.A NE THR 18.A O no hydrogen 2.876 N/A ARG 17.A NH1 TYR 68.A O no hydrogen 3.011 N/A ARG 17.A NH1 ASP 69.A OD2 no hydrogen 2.809 N/A ARG 17.A NH2 MET 80.A O no hydrogen 3.023 N/A THR 18.A N SER 2.A O no hydrogen 2.881 N/A THR 18.A OG1 SER 2.A O no hydrogen 3.470 N/A MET 19.A N TYR 278.A O no hydrogen 3.015 N/A PHE 21.A N TYR 275.A O no hydrogen 3.157 N/A SER 27.A OG PRO 25.A O no hydrogen 2.756 N/A SER 27.A OG TYR 68.A OH no hydrogen 2.729 N/A LYS 28.A N GLY 58.A O no hydrogen 3.205 N/A LYS 28.A NZ THR 60.A OG1 no hydrogen 3.121 N/A VAL 29.A N PHE 317.A O no hydrogen 2.717 N/A ILE 30.A N GLY 56.A O no hydrogen 2.866 N/A ILE 31.A N ILE 315.A O no hydrogen 2.684 N/A VAL 32.A N PHE 54.A O no hydrogen 2.749 N/A ARG 34.A N LEU 309.A O no hydrogen 2.626 N/A ASN 35.A N ASN 50.A O no hydrogen 2.677 N/A ASN 35.A ND2 ASN 49.A OD1 no hydrogen 2.787 N/A TYR 36.A N ASN 50.A OD1 no hydrogen 2.723 N/A GLY 37.A N ASN 50.A OD1 no hydrogen 2.689 N/A ILE 38.A N ILE 48.A O no hydrogen 2.839 N/A ARG 39.A N SER 64.A OG no hydrogen 2.682 N/A ARG 39.A NE LEU 41.A O no hydrogen 3.322 N/A ARG 39.A NH2 GLU 42.A O no hydrogen 3.269 N/A GLU 42.A N GLU 131.A OE1 no hydrogen 2.662 N/A LYS 43.A N GLU 131.A OE2 no hydrogen 2.890 N/A ILE 48.A N ILE 38.A O no hydrogen 2.914 N/A ASN 50.A ND2 PRO 33.A O no hydrogen 3.137 N/A ASN 50.A ND2 TYR 52.A O no hydrogen 2.909 N/A SER 51.A N ASN 112.A OD1 no hydrogen 3.260 N/A SER 51.A OG ASN 112.A OD1 no hydrogen 3.499 N/A TYR 52.A N GLY 111.A O no hydrogen 2.731 N/A ALA 53.A N GLU 73.A OE2 no hydrogen 2.620 N/A PHE 54.A N VAL 32.A O no hydrogen 2.827 N/A VAL 55.A N VAL 71.A O no hydrogen 2.788 N/A GLY 56.A N ILE 30.A O no hydrogen 3.141 N/A GLY 58.A N LYS 28.A O no hydrogen 3.223 N/A SER 59.A N VAL 66.A O no hydrogen 2.769 N/A ASP 61.A N SER 59.A OG no hydrogen 2.878 N/A THR 63.A N GLU 42.A OE2 no hydrogen 3.307 N/A THR 63.A OG1 GLU 42.A OE1 no hydrogen 3.045 N/A THR 63.A OG1 GLU 42.A OE2 no hydrogen 2.658 N/A SER 64.A N TYR 104.A OH no hydrogen 3.216 N/A VAL 66.A N SER 59.A O no hydrogen 2.783 N/A LEU 67.A N SER 107.A OG no hydrogen 3.075 N/A TYR 68.A N MET 57.A O no hydrogen 2.654 N/A TYR 68.A OH SER 27.A OG no hydrogen 2.729 N/A GLY 70.A N GLY 78.A O no hydrogen 3.093 N/A VAL 71.A N VAL 55.A O no hydrogen 2.903 N/A ASN 72.A N LEU 76.A O no hydrogen 3.091 N/A ASN 72.A ND2 LEU 110.A O no hydrogen 2.479 N/A GLY 75.A N ASN 72.A O no hydrogen 3.490 N/A MET 77.A N THR 147.A O no hydrogen 2.635 N/A GLY 78.A N GLY 70.A O no hydrogen 3.186 N/A ALA 79.A N THR 145.A O no hydrogen 3.020 N/A MET 80.A N TYR 68.A O no hydrogen 2.752 N/A LEU 81.A N HIS 143.A O no hydrogen 3.024 N/A TYR 83.A N PRO 141.A O no hydrogen 2.874 N/A TYR 83.A OH ASP 159.A OD1 no hydrogen 2.662 N/A PHE 86.A N TYR 83.A O no hydrogen 3.219 N/A ALA 87.A N TYR 83.A O no hydrogen 3.069 N/A THR 88.A N PRO 158.A O no hydrogen 2.700 N/A THR 88.A OG1 PHE 86.A O no hydrogen 3.077 N/A TYR 89.A OH PRO 140.A O no hydrogen 2.613 N/A ALA 90.A N LEU 128.A O no hydrogen 3.185 N/A LYS 94.A N THR 127.A OG1 no hydrogen 3.000 N/A THR 97.A OG1 LYS 94.A O no hydrogen 2.851 N/A THR 97.A OG1 THR 127.A OG1 no hydrogen 2.766 N/A THR 98.A N SER 125.A O no hydrogen 2.903 N/A ILE 100.A N THR 127.A O no hydrogen 2.816 N/A ASN 101.A N LEU 40.A O no hydrogen 2.856 N/A ASN 101.A ND2 GLU 131.A OE1 no hydrogen 2.854 N/A ASN 101.A ND2 ALA 132.A O no hydrogen 3.513 N/A VAL 103.A N ASN 101.A OD1 no hydrogen 3.046 N/A TYR 104.A N ASN 101.A O no hydrogen 2.749 N/A TYR 104.A OH GLU 42.A OE1 no hydrogen 2.549 N/A VAL 105.A N PRO 102.A O no hydrogen 3.512 N/A SER 107.A OG PRO 65.A O no hydrogen 2.944 N/A GLN 108.A N TYR 104.A O no hydrogen 3.034 N/A GLN 108.A NE2 ILE 38.A O no hydrogen 2.964 N/A GLN 108.A NE2 ARG 39.A O no hydrogen 2.700 N/A VAL 109.A N VAL 105.A O no hydrogen 2.831 N/A LEU 110.A N ILE 106.A O no hydrogen 2.778 N/A GLY 111.A N SER 107.A O no hydrogen 2.931 N/A ASN 112.A N VAL 109.A O no hydrogen 3.129 N/A ASN 112.A ND2 GLN 108.A O no hydrogen 3.023 N/A CYS 113.A N VAL 109.A O no hydrogen 2.904 N/A CYS 113.A SG VAL 109.A O no hydrogen 3.589 N/A VAL 114.A N ASP 118.A OD2 no hydrogen 2.751 N/A THR 115.A N ASP 118.A OD2 no hydrogen 2.859 N/A VAL 116.A N ASP 148.A OD2 no hydrogen 3.478 N/A ASP 118.A N THR 115.A OG1 no hydrogen 3.153 N/A VAL 119.A N THR 115.A O no hydrogen 3.261 N/A ILE 120.A N VAL 116.A O no hydrogen 2.988 N/A GLU 121.A N ASP 117.A O no hydrogen 2.887 N/A LYS 122.A N ASP 118.A O no hydrogen 2.780 N/A LEU 123.A N VAL 119.A O no hydrogen 3.251 N/A THR 124.A N GLU 121.A O no hydrogen 3.120 N/A THR 124.A OG1 GLU 121.A O no hydrogen 2.638 N/A SER 125.A OG LYS 122.A O no hydrogen 2.891 N/A TYR 126.A N LEU 123.A O no hydrogen 3.230 N/A THR 127.A N THR 98.A O no hydrogen 2.861 N/A THR 127.A OG1 THR 97.A OG1 no hydrogen 2.766 N/A LEU 129.A N ILE 100.A O no hydrogen 2.954 N/A ASN 130.A N ALA 90.A O no hydrogen 2.950 N/A GLU 131.A N LEU 129.A O no hydrogen 2.775 N/A GLY 137.A N ASN 133.A O no hydrogen 2.794 N/A LEU 142.A N TYR 89.A OH no hydrogen 2.856 N/A HIS 143.A N LEU 81.A O no hydrogen 2.822 N/A HIS 143.A ND1 GLU 157.A OE2 no hydrogen 2.764 N/A HIS 143.A NE2 THR 174.A O no hydrogen 2.715 N/A TYR 144.A N ILE 156.A O no hydrogen 2.947 N/A TYR 144.A OH PRO 102.A O no hydrogen 2.811 N/A THR 145.A N ALA 79.A O no hydrogen 3.224 N/A THR 145.A OG1 ILE 154.A O no hydrogen 3.566 N/A PHE 146.A N ILE 154.A O no hydrogen 3.303 N/A THR 147.A N MET 77.A O no hydrogen 2.689 N/A THR 147.A OG1 SER 153.A OG no hydrogen 2.616 N/A ASP 148.A N GLU 152.A O no hydrogen 3.049 N/A SER 150.A OG ASP 148.A OD2 no hydrogen 3.228 N/A GLY 151.A N ASP 148.A O no hydrogen 2.911 N/A GLU 152.A N SER 150.A OG no hydrogen 3.119 N/A SER 153.A OG THR 147.A OG1 no hydrogen 2.616 N/A ILE 154.A N PHE 146.A O no hydrogen 2.981 N/A VAL 155.A N HIS 166.A O no hydrogen 3.139 N/A ILE 156.A N TYR 144.A O no hydrogen 2.901 N/A GLU 157.A N THR 164.A O no hydrogen 2.817 N/A ASP 159.A N GLY 162.A O no hydrogen 2.988 N/A GLY 162.A N ASP 159.A O no hydrogen 2.881 N/A THR 164.A N GLU 157.A O no hydrogen 2.664 N/A THR 164.A OG1 ASP 159.A OD2 no hydrogen 2.504 N/A HIS 166.A N VAL 155.A O no hydrogen 2.863 N/A ARG 167.A NH2 GLU 152.A OE1 no hydrogen 3.379 N/A THR 169.A N SER 153.A O no hydrogen 3.320 N/A ILE 170.A N TYR 179.A OH no hydrogen 2.968 N/A GLY 171.A N THR 169.A OG1 no hydrogen 3.305 N/A MET 173.A N SER 3.A O no hydrogen 2.716 N/A THR 174.A OG1 PRO 225.A O no hydrogen 2.960 N/A ASN 175.A N THR 174.A OG1 no hydrogen 2.582 N/A ASN 175.A ND2 TYR 82.A O no hydrogen 2.756 N/A SER 176.A OG ALA 84.A O no hydrogen 2.729 N/A TYR 179.A N GLU 157.A OE1 no hydrogen 2.757 N/A TYR 179.A OH GLN 183.A OE1 no hydrogen 2.629 N/A HIS 182.A N GLY 178.A O no hydrogen 3.338 N/A HIS 182.A NE2 ASN 175.A O no hydrogen 3.170 N/A GLN 183.A N TYR 179.A O no hydrogen 2.969 N/A THR 184.A N GLU 180.A O no hydrogen 3.019 N/A THR 184.A OG1 GLU 180.A O no hydrogen 3.276 N/A ASN 185.A N TRP 181.A O no hydrogen 2.855 N/A LEU 186.A N HIS 182.A O no hydrogen 3.136 N/A ARG 187.A N THR 184.A O no hydrogen 3.116 N/A ALA 188.A N ASN 185.A O no hydrogen 3.043 N/A TYR 189.A N LEU 186.A O no hydrogen 2.942 N/A VAL 192.A N TYR 189.A O no hydrogen 2.986 N/A THR 193.A N GLY 215.A O no hydrogen 2.830 N/A THR 193.A OG1 ASN 195.A OD1 no hydrogen 3.082 N/A ASN 195.A N THR 193.A OG1 no hydrogen 2.967 N/A ILE 200.A N LEU 207.A O no hydrogen 3.335 N/A MET 202.A N LEU 205.A O no hydrogen 2.993 N/A LEU 205.A N MET 202.A O no hydrogen 2.949 N/A LEU 207.A N ILE 200.A O no hydrogen 3.149 N/A THR 208.A OG1 ASP 199.A OD1 no hydrogen 2.527 N/A GLY 216.A N GLY 213.A O no hydrogen 3.232 N/A LEU 217.A N ALA 214.A O no hydrogen 3.209 N/A LEU 219.A N GLY 216.A O no hydrogen 2.996 N/A THR 224.A N ASP 222.A OD1 no hydrogen 2.745 N/A THR 224.A OG1 ASP 222.A OD1 no hydrogen 2.733 N/A THR 224.A OG1 SER 226.A OG no hydrogen 3.368 N/A SER 226.A OG THR 224.A OG1 no hydrogen 3.368 N/A ALA 227.A N THR 224.A OG1 no hydrogen 3.044 N/A ARG 228.A N THR 224.A O no hydrogen 2.744 N/A ARG 228.A NE PHE 223.A O no hydrogen 2.731 N/A ARG 228.A NH1 CYS 1.A O no hydrogen 2.883 N/A ARG 228.A NH1 SER 2.A OG no hydrogen 3.074 N/A ARG 228.A NH1 ASN 175.A OD1 no hydrogen 3.431 N/A ARG 228.A NH2 ASN 175.A OD1 no hydrogen 2.872 N/A PHE 229.A N PRO 225.A O no hydrogen 2.833 N/A LEU 230.A N SER 226.A O no hydrogen 3.067 N/A ARG 231.A N ALA 227.A O no hydrogen 3.103 N/A ARG 231.A NE SER 258.A O no hydrogen 2.881 N/A ARG 231.A NH1 PRO 220.A O no hydrogen 2.998 N/A ARG 231.A NH1 ASP 222.A O no hydrogen 2.552 N/A ARG 231.A NH2 ASP 222.A O no hydrogen 3.356 N/A ARG 231.A NH2 SER 258.A O no hydrogen 2.837 N/A VAL 232.A N ARG 228.A O no hydrogen 3.019 N/A ALA 233.A N PHE 229.A O no hydrogen 2.829 N/A TYR 234.A N LEU 230.A O no hydrogen 2.879 N/A TYR 234.A OH LEU 186.A O no hydrogen 2.696 N/A TRP 235.A N ARG 231.A O no hydrogen 3.070 N/A LYS 236.A N VAL 232.A O no hydrogen 2.881 N/A LYS 236.A NZ SER 5.A O no hydrogen 2.615 N/A LYS 236.A NZ ILE 170.A O no hydrogen 2.919 N/A LYS 236.A NZ GLY 171.A O no hydrogen 3.548 N/A LYS 237.A N ALA 233.A O no hydrogen 2.848 N/A TYR 238.A N TYR 234.A O no hydrogen 3.072 N/A THR 239.A N TRP 235.A O no hydrogen 2.951 N/A THR 239.A OG1 TRP 235.A O no hydrogen 3.504 N/A LYS 243.A N GLU 247.A OE1 no hydrogen 2.942 N/A LYS 243.A NZ GLU 247.A OE1 no hydrogen 2.838 N/A LYS 243.A NZ GLU 247.A OE2 no hydrogen 2.888 N/A GLU 247.A N ASN 244.A OD1 no hydrogen 2.766 N/A GLY 248.A N ASN 244.A O no hydrogen 3.006 N/A VAL 249.A N GLU 245.A O no hydrogen 2.937 N/A THR 250.A N THR 246.A O no hydrogen 3.005 N/A ASN 251.A N GLU 247.A O no hydrogen 2.713 N/A LEU 252.A N GLY 248.A O no hydrogen 2.923 N/A PHE 253.A N VAL 249.A O no hydrogen 3.067 N/A HIS 254.A N THR 250.A O no hydrogen 3.089 N/A HIS 254.A N ASN 251.A O no hydrogen 3.162 N/A ILE 255.A N ASN 251.A O no hydrogen 3.045 N/A LEU 256.A N LEU 252.A O no hydrogen 3.058 N/A SER 257.A N HIS 254.A O no hydrogen 3.118 N/A SER 257.A OG HIS 254.A O no hydrogen 2.420 N/A SER 258.A N ILE 255.A O no hydrogen 3.221 N/A SER 258.A OG ILE 255.A O no hydrogen 2.840 N/A VAL 259.A N LEU 256.A O no hydrogen 2.921 N/A ILE 261.A N THR 276.A OG1 no hydrogen 3.082 N/A LYS 263.A N TYR 294.A OH no hydrogen 2.801 N/A GLY 264.A N THR 273.A OG1 no hydrogen 3.383 N/A VAL 265.A N PRO 262.A O no hydrogen 3.226 N/A THR 268.A N LYS 272.A O no hydrogen 2.833 N/A THR 268.A OG1 LYS 272.A O no hydrogen 3.467 N/A GLY 271.A N THR 268.A O no hydrogen 3.099 N/A LYS 272.A N THR 268.A OG1 no hydrogen 2.961 N/A ASP 274.A N VAL 266.A O no hydrogen 2.783 N/A TYR 275.A N PHE 21.A O no hydrogen 3.310 N/A TYR 275.A OH GLU 24.A OE2 no hydrogen 2.586 N/A THR 276.A N ILE 261.A O no hydrogen 3.229 N/A THR 276.A OG1 ASP 20.A OD1 no hydrogen 2.568 N/A ILE 277.A N MET 19.A O no hydrogen 2.902 N/A TYR 278.A OH ASP 69.A OD2 no hydrogen 2.674 N/A THR 279.A N LYS 292.A O no hydrogen 2.817 N/A SER 280.A N ARG 17.A O no hydrogen 2.911 N/A SER 280.A OG ASP 69.A OD1 no hydrogen 3.417 N/A SER 280.A OG ASP 69.A OD2 no hydrogen 3.360 N/A SER 280.A OG TYR 289.A OH no hydrogen 2.992 N/A ALA 281.A N TYR 290.A O no hydrogen 2.947 N/A MET 282.A N PHE 15.A O no hydrogen 2.781 N/A CYS 283.A N ASN 288.A O no hydrogen 3.266 N/A CYS 283.A SG SER 13.A O no hydrogen 3.720 N/A CYS 283.A SG SER 286.A OG no hydrogen 3.266 N/A ALA 284.A N SER 13.A O no hydrogen 2.861 N/A SER 286.A OG GLU 245.A OE1 no hydrogen 3.098 N/A SER 286.A OG GLU 245.A OE2 no hydrogen 2.750 N/A SER 286.A OG ASN 288.A OD1 no hydrogen 3.107 N/A LYS 287.A N CYS 283.A O no hydrogen 2.855 N/A LYS 287.A NZ GLN 285.A O no hydrogen 2.892 N/A ASN 288.A N SER 286.A OG no hydrogen 3.409 N/A TYR 289.A N VAL 302.A O no hydrogen 2.830 N/A TYR 289.A OH ASP 69.A OD1 no hydrogen 2.458 N/A TYR 290.A N ALA 281.A O no hydrogen 2.774 N/A TYR 290.A OH GLU 245.A OE2 no hydrogen 2.351 N/A PHE 291.A N SER 300.A O no hydrogen 3.035 N/A LYS 292.A N THR 279.A O no hydrogen 2.806 N/A LEU 293.A N ASN 296.A O no hydrogen 3.343 N/A TYR 294.A N ILE 277.A O no hydrogen 3.031 N/A ASN 296.A N LEU 293.A O no hydrogen 2.990 N/A SER 297.A N GLN 323.A OE1 no hydrogen 2.839 N/A ARG 298.A NH1 ASP 324.A OD2 no hydrogen 2.669 N/A SER 300.A N PHE 291.A O no hydrogen 2.871 N/A VAL 302.A N TYR 289.A O no hydrogen 2.898 N/A LEU 304.A N LYS 287.A O no hydrogen 3.289 N/A ALA 306.A N SER 303.A OG no hydrogen 3.244 N/A GLU 307.A N LEU 304.A O no hydrogen 3.126 N/A ASN 310.A N ASN 308.A OD1 no hydrogen 3.408 N/A SER 311.A N ASN 308.A O no hydrogen 3.087 N/A SER 311.A OG ASN 308.A O no hydrogen 2.393 N/A ILE 315.A N ILE 31.A O no hydrogen 3.289 N/A PHE 317.A N VAL 29.A O no hydrogen 2.770 N/A LYS 322.A N ASP 320.A OD1 no hydrogen 3.197 N/A ILE 325.A N GLN 323.A O no hydrogen 2.932 N/A