Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pvp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N THR 1.A O no hydrogen 2.767 N/A ARG 6.A N SER 2.A O no hydrogen 2.855 N/A LYS 7.A N ASP 3.A O no hydrogen 2.951 N/A LYS 7.A NZ ASP 11.A OD1 no hydrogen 3.032 N/A ASN 8.A N GLU 4.A O no hydrogen 2.866 N/A LEU 9.A N VAL 5.A O no hydrogen 2.972 N/A MET 10.A N ARG 6.A O no hydrogen 3.077 N/A ASP 11.A N LYS 7.A O no hydrogen 2.941 N/A MET 12.A N ASN 8.A O no hydrogen 2.896 N/A PHE 13.A N LEU 9.A O no hydrogen 2.889 N/A ARG 14.A N MET 10.A O no hydrogen 2.796 N/A ASP 15.A N ASP 11.A O no hydrogen 3.092 N/A ARG 16.A NH1 PHE 13.A O no hydrogen 2.560 N/A ALA 18.A N ASP 15.A O no hydrogen 3.208 N/A PHE 19.A N ARG 16.A O no hydrogen 3.184 N/A SER 20.A OG THR 23.A OG1 no hydrogen 2.761 N/A THR 23.A N SER 20.A O no hydrogen 2.868 N/A THR 23.A N SER 20.A OG no hydrogen 3.317 N/A THR 23.A OG1 SER 20.A O no hydrogen 3.422 N/A THR 23.A OG1 SER 20.A OG no hydrogen 2.761 N/A TRP 24.A N SER 20.A O no hydrogen 3.188 N/A TRP 24.A NE1 ARG 16.A O no hydrogen 2.575 N/A LYS 25.A N GLU 21.A O no hydrogen 2.861 N/A MET 26.A N HIS 22.A O no hydrogen 3.021 N/A LEU 27.A N THR 23.A O no hydrogen 2.858 N/A LEU 28.A N TRP 24.A O no hydrogen 2.821 N/A SER 29.A N LYS 25.A O no hydrogen 2.808 N/A VAL 30.A N MET 26.A O no hydrogen 2.821 N/A CYS 31.A N LEU 27.A O no hydrogen 3.008 N/A CYS 31.A SG LEU 27.A O no hydrogen 3.611 N/A ARG 32.A N LEU 28.A O no hydrogen 2.995 N/A SER 33.A N SER 29.A O no hydrogen 3.191 N/A SER 33.A OG TYR 56.A OH no hydrogen 2.769 N/A TRP 34.A N VAL 30.A O no hydrogen 2.716 N/A TRP 34.A NE1 TRP 45.A O no hydrogen 2.652 N/A ALA 35.A N CYS 31.A O no hydrogen 2.708 N/A ALA 36.A N ARG 32.A O no hydrogen 2.912 N/A TRP 37.A N SER 33.A O no hydrogen 3.062 N/A CYS 38.A N TRP 34.A O no hydrogen 2.920 N/A CYS 38.A SG TRP 34.A O no hydrogen 3.497 N/A LYS 39.A N ALA 35.A O no hydrogen 2.885 N/A LEU 40.A N ALA 36.A O no hydrogen 3.130 N/A ASN 41.A N TRP 37.A O no hydrogen 2.800 N/A ASN 41.A ND2 TRP 37.A O no hydrogen 2.819 N/A ASN 42.A N LYS 39.A O no hydrogen 3.135 N/A ARG 43.A N CYS 38.A O no hydrogen 2.729 N/A ARG 43.A NE ASN 41.A O no hydrogen 2.565 N/A ARG 43.A NH1 ASP 52.A OD1 no hydrogen 2.881 N/A ARG 43.A NH1 ASP 55.A OD2 no hydrogen 3.264 N/A ARG 43.A NH2 ASP 55.A OD2 no hydrogen 3.225 N/A ALA 48.A N HIS 81.A NE2 no hydrogen 2.864 N/A GLU 51.A N GLU 49.A OE2 no hydrogen 3.156 N/A ASP 52.A N GLU 49.A O no hydrogen 2.654 N/A VAL 53.A N GLU 49.A O no hydrogen 2.906 N/A ARG 54.A N PRO 50.A O no hydrogen 2.877 N/A ASP 55.A N GLU 51.A O no hydrogen 3.180 N/A TYR 56.A N ASP 52.A O no hydrogen 3.006 N/A TYR 56.A OH SER 33.A OG no hydrogen 2.769 N/A TYR 56.A OH HIS 73.A ND1 no hydrogen 2.662 N/A LEU 57.A N VAL 53.A O no hydrogen 2.915 N/A LEU 58.A N ARG 54.A O no hydrogen 3.117 N/A TYR 59.A N ASP 55.A O no hydrogen 2.920 N/A LEU 60.A N TYR 56.A O no hydrogen 2.661 N/A GLN 61.A N LEU 57.A O no hydrogen 3.009 N/A GLN 61.A NE2 GLU 105.A OE1 no hydrogen 3.244 N/A GLN 61.A NE2 ASN 106.A OD1 no hydrogen 3.567 N/A ALA 62.A N LEU 58.A O no hydrogen 2.762 N/A ARG 63.A N LEU 60.A O no hydrogen 3.027 N/A GLY 64.A N GLN 61.A O no hydrogen 2.445 N/A LEU 65.A N LEU 60.A O no hydrogen 3.259 N/A VAL 67.A N GLU 111.A OE2 no hydrogen 2.298 N/A THR 69.A N ALA 66.A O no hydrogen 2.916 N/A ILE 70.A N ALA 66.A O no hydrogen 3.091 N/A GLN 71.A N VAL 67.A O no hydrogen 2.881 N/A GLN 72.A N LYS 68.A O no hydrogen 3.179 N/A HIS 73.A N THR 69.A O no hydrogen 3.090 N/A HIS 73.A ND1 TYR 56.A OH no hydrogen 2.662 N/A LEU 74.A N ILE 70.A O no hydrogen 2.989 N/A GLY 75.A N GLN 71.A O no hydrogen 2.580 N/A GLN 76.A N GLN 72.A O no hydrogen 2.865 N/A GLN 76.A NE2 GLN 72.A OE1 no hydrogen 2.399 N/A LEU 77.A N HIS 73.A O no hydrogen 2.943 N/A ASN 78.A N LEU 74.A O no hydrogen 2.775 N/A ASN 78.A ND2 SER 90.A OG no hydrogen 2.301 N/A MET 79.A N GLY 75.A O no hydrogen 3.138 N/A LEU 80.A N GLN 76.A O no hydrogen 2.993 N/A HIS 81.A N LEU 77.A O no hydrogen 3.196 N/A ARG 82.A N ASN 78.A O no hydrogen 2.814 N/A ARG 83.A N MET 79.A O no hydrogen 2.643 N/A SER 84.A N HIS 81.A O no hydrogen 3.242 N/A SER 84.A OG LEU 80.A O no hydrogen 2.737 N/A LEU 86.A N HIS 81.A O no hydrogen 2.704 N/A ARG 88.A NE ASP 91.A OD1 no hydrogen 3.084 N/A ARG 88.A NE ASP 91.A OD2 no hydrogen 3.143 N/A SER 90.A N ASN 78.A OD1 no hydrogen 2.930 N/A ASP 91.A N ARG 88.A O no hydrogen 3.068 N/A SER 92.A N PRO 89.A O no hydrogen 3.177 N/A VAL 95.A N SER 92.A O no hydrogen 3.070 N/A VAL 95.A N SER 92.A OG no hydrogen 3.296 N/A SER 96.A N SER 92.A O no hydrogen 2.908 N/A SER 96.A OG SER 90.A O no hydrogen 3.216 N/A LEU 97.A N ASN 93.A O no hydrogen 3.134 N/A VAL 98.A N ALA 94.A O no hydrogen 3.237 N/A MET 99.A N VAL 95.A O no hydrogen 3.225 N/A ARG 100.A N SER 96.A O no hydrogen 3.167 N/A ARG 101.A N LEU 97.A O no hydrogen 2.923 N/A ARG 101.A NE GLU 105.A OE1 no hydrogen 3.395 N/A ILE 102.A N VAL 98.A O no hydrogen 2.824 N/A ARG 103.A N MET 99.A O no hydrogen 2.750 N/A LYS 104.A N ARG 100.A O no hydrogen 2.966 N/A GLU 105.A N ARG 101.A O no hydrogen 2.725 N/A ASN 106.A N ILE 102.A O no hydrogen 2.873 N/A ASN 106.A ND2 LEU 65.A O no hydrogen 3.648 N/A VAL 107.A N ARG 103.A O no hydrogen 3.040 N/A ASP 108.A N LYS 104.A O no hydrogen 3.172 N/A GLU 111.A N ASN 106.A O no hydrogen 3.167 N/A GLN 115.A NE2 ALA 116.A O no hydrogen 2.971 N/A PHE 119.A N SER 272.A O no hydrogen 2.848 N/A GLU 120.A N ASP 123.A OD2 no hydrogen 2.842 N/A ARG 121.A N ASP 280.A OD2 no hydrogen 2.635 N/A ASP 123.A N GLU 120.A O no hydrogen 2.705 N/A PHE 124.A N GLU 120.A O no hydrogen 3.032 N/A ASP 125.A N ARG 121.A O no hydrogen 2.873 N/A VAL 127.A N ASP 123.A O no hydrogen 2.788 N/A ARG 128.A N PHE 124.A O no hydrogen 2.758 N/A ARG 128.A NH2 ASP 125.A OD1 no hydrogen 3.356 N/A SER 129.A N ASP 125.A O no hydrogen 2.544 N/A LEU 130.A N VAL 127.A O no hydrogen 2.930 N/A MET 131.A N ARG 128.A O no hydrogen 3.191 N/A GLU 132.A N ARG 128.A O no hydrogen 3.145 N/A SER 134.A N MET 131.A O no hydrogen 2.950 N/A SER 134.A OG ASP 139.A OD2 no hydrogen 3.390 N/A ASP 135.A N ASP 135.A OD1 no hydrogen 2.469 N/A ARG 136.A N SER 134.A OG no hydrogen 2.727 N/A ARG 136.A NE ASP 139.A OD2 no hydrogen 3.150 N/A ARG 136.A NH2 ASP 139.A OD1 no hydrogen 3.220 N/A ASP 139.A N ARG 136.A O no hydrogen 2.534 N/A ILE 140.A N ARG 136.A O no hydrogen 2.779 N/A ARG 141.A N CYS 137.A O no hydrogen 3.034 N/A ARG 141.A NE ASN 142.A OD1 no hydrogen 3.076 N/A ARG 141.A NH1 CYS 222.A O no hydrogen 3.118 N/A ARG 141.A NH2 ASN 142.A OD1 no hydrogen 2.741 N/A ASN 142.A N GLN 138.A O no hydrogen 3.235 N/A LEU 143.A N ASP 139.A O no hydrogen 3.227 N/A LEU 143.A N ILE 140.A O no hydrogen 3.123 N/A ALA 144.A N ILE 140.A O no hydrogen 3.113 N/A PHE 145.A N ARG 141.A O no hydrogen 3.059 N/A LEU 146.A N ASN 142.A O no hydrogen 3.331 N/A GLY 147.A N LEU 143.A O no hydrogen 3.029 N/A ILE 148.A N ALA 144.A O no hydrogen 2.727 N/A ALA 149.A N PHE 145.A O no hydrogen 2.726 N/A TYR 150.A N LEU 146.A O no hydrogen 3.119 N/A TYR 150.A OH ASP 280.A OD2 no hydrogen 2.405 N/A ASN 151.A N GLY 147.A O no hydrogen 2.927 N/A THR 152.A N ILE 148.A O no hydrogen 2.827 N/A THR 152.A OG1 ILE 148.A O no hydrogen 2.874 N/A LEU 153.A N ALA 149.A O no hydrogen 2.856 N/A LEU 154.A N THR 152.A OG1 no hydrogen 3.300 N/A ARG 155.A N GLU 158.A OE1 no hydrogen 2.814 N/A GLU 158.A N ARG 155.A O no hydrogen 2.756 N/A ILE 159.A N ARG 155.A O no hydrogen 3.107 N/A ALA 160.A N ALA 156.A O no hydrogen 3.022 N/A ARG 161.A N ALA 157.A O no hydrogen 2.966 N/A ARG 161.A NH1 GLY 180.A O no hydrogen 3.168 N/A ILE 162.A N ILE 159.A O no hydrogen 3.397 N/A ARG 163.A N ASP 166.A OD2 no hydrogen 2.920 N/A ARG 163.A NE ASN 217.A O no hydrogen 2.731 N/A ARG 163.A NH2 ALA 234.A O no hydrogen 2.422 N/A VAL 164.A N ASN 218.A O no hydrogen 2.934 N/A ILE 167.A N VAL 164.A O no hydrogen 3.124 N/A SER 168.A N LEU 176.A O no hydrogen 2.577 N/A ARG 169.A NE GLY 173.A O no hydrogen 2.469 N/A THR 170.A N ARG 174.A O no hydrogen 2.360 N/A ARG 174.A N THR 170.A O no hydrogen 3.140 N/A ILE 177.A N LYS 193.A O no hydrogen 2.377 N/A HIS 178.A N ASP 166.A O no hydrogen 3.032 N/A ARG 181.A NH2 LEU 153.A O no hydrogen 3.257 N/A THR 182.A OG1 THR 188.A O no hydrogen 3.014 N/A THR 184.A N THR 182.A O no hydrogen 2.492 N/A THR 184.A OG1 THR 182.A O no hydrogen 2.808 N/A SER 187.A OG THR 188.A O no hydrogen 3.350 N/A THR 188.A OG1 GLY 190.A O no hydrogen 2.854 N/A LYS 193.A N ILE 177.A O no hydrogen 2.772 N/A LYS 193.A NZ THR 152.A O no hydrogen 2.603 N/A LYS 193.A NZ ALA 294.A O no hydrogen 3.171 N/A LEU 195.A N MET 175.A O no hydrogen 2.740 N/A SER 196.A OG ASN 151.A OD1 no hydrogen 3.542 N/A GLY 198.A N SER 196.A OG no hydrogen 3.194 N/A VAL 199.A N SER 196.A OG no hydrogen 3.307 N/A THR 200.A N SER 196.A O no hydrogen 2.920 N/A LYS 201.A N GLY 198.A O no hydrogen 2.849 N/A LEU 202.A N GLY 198.A O no hydrogen 3.161 N/A VAL 203.A N VAL 199.A O no hydrogen 3.117 N/A GLU 204.A N THR 200.A O no hydrogen 3.034 N/A ARG 205.A N LYS 201.A O no hydrogen 3.260 N/A ARG 205.A NH1 GLU 132.A O no hydrogen 2.499 N/A TRP 206.A N LEU 202.A O no hydrogen 3.424 N/A TRP 206.A NE1 LEU 220.A O no hydrogen 2.369 N/A ILE 207.A N VAL 203.A O no hydrogen 2.884 N/A SER 208.A N GLU 204.A O no hydrogen 2.756 N/A VAL 209.A N ARG 205.A O no hydrogen 2.813 N/A SER 210.A N TRP 206.A O no hydrogen 2.745 N/A SER 210.A OG TRP 206.A O no hydrogen 2.414 N/A SER 210.A OG ILE 207.A O no hydrogen 3.444 N/A GLY 211.A N ILE 207.A O no hydrogen 3.116 N/A VAL 212.A N SER 210.A OG no hydrogen 3.401 N/A ASP 214.A N GLY 211.A O no hydrogen 3.229 N/A ASP 215.A N VAL 212.A O no hydrogen 3.437 N/A ASN 218.A N ASP 215.A O no hydrogen 2.502 N/A ASN 218.A ND2 VAL 212.A O no hydrogen 2.502 N/A TYR 219.A N SER 233.A O no hydrogen 3.206 N/A LEU 220.A N ILE 162.A O no hydrogen 3.335 N/A CYS 222.A SG ARG 223.A O no hydrogen 3.569 N/A ARG 225.A N VAL 229.A O no hydrogen 3.076 N/A GLY 228.A N ARG 225.A O no hydrogen 2.758 N/A SER 233.A OG SER 236.A O no hydrogen 3.180 N/A THR 235.A N SER 233.A OG no hydrogen 3.101 N/A ALA 242.A N SER 239.A O no hydrogen 2.490 N/A ALA 242.A N SER 239.A OG no hydrogen 3.047 N/A LEU 243.A N SER 239.A O no hydrogen 3.171 N/A HIS 244.A N LEU 240.A O no hydrogen 2.862 N/A GLY 245.A N SER 241.A O no hydrogen 3.206 N/A ILE 246.A N ALA 242.A O no hydrogen 2.844 N/A PHE 247.A N LEU 243.A O no hydrogen 3.365 N/A GLY 248.A N HIS 244.A O no hydrogen 2.998 N/A ALA 249.A N GLY 245.A O no hydrogen 2.580 N/A THR 250.A N ILE 246.A O no hydrogen 2.985 N/A THR 250.A OG1 ILE 246.A O no hydrogen 2.936 N/A HIS 251.A N PHE 247.A O no hydrogen 3.032 N/A ARG 252.A N GLY 248.A O no hydrogen 3.100 N/A LEU 253.A N ALA 249.A O no hydrogen 3.235 N/A ILE 254.A N THR 250.A O no hydrogen 3.326 N/A TYR 255.A N HIS 251.A O no hydrogen 2.558 N/A GLY 256.A N ARG 252.A O no hydrogen 2.358 N/A TRP 268.A NE1 ALA 118.A O no hydrogen 2.818 N/A SER 269.A N SER 272.A OG no hydrogen 2.932 N/A SER 272.A N SER 269.A O no hydrogen 3.270 N/A SER 272.A OG LEU 117.A O no hydrogen 2.511 N/A SER 272.A OG SER 269.A O no hydrogen 3.405 N/A ARG 274.A NH1 LEU 153.A O no hydrogen 2.483 N/A ARG 274.A NH1 GLY 295.A O no hydrogen 2.919 N/A VAL 275.A N HIS 271.A O no hydrogen 3.006 N/A GLY 276.A N SER 272.A O no hydrogen 2.720 N/A ALA 277.A N ALA 273.A O no hydrogen 2.707 N/A ALA 278.A N ARG 274.A O no hydrogen 3.108 N/A ARG 279.A NE GLU 120.A OE1 no hydrogen 2.734 N/A ARG 279.A NH1 TYR 306.A O no hydrogen 2.839 N/A ARG 279.A NH1 ASN 309.A OD1 no hydrogen 2.400 N/A ARG 279.A NH2 ASN 309.A OD1 no hydrogen 3.183 N/A ASP 280.A N GLY 276.A O no hydrogen 3.223 N/A MET 281.A N ALA 277.A O no hydrogen 2.785 N/A ALA 282.A N ALA 278.A O no hydrogen 2.816 N/A ARG 283.A N ARG 279.A O no hydrogen 2.488 N/A GLY 285.A N ALA 282.A O no hydrogen 2.997 N/A GLU 290.A N SER 287.A OG no hydrogen 3.166 N/A ILE 291.A N SER 287.A O no hydrogen 2.952 N/A MET 292.A N ILE 288.A O no hydrogen 2.557 N/A GLN 293.A N PRO 289.A O no hydrogen 3.047 N/A ALA 294.A N GLU 290.A O no hydrogen 2.991 N/A GLY 295.A N ILE 291.A O no hydrogen 2.984 N/A GLY 296.A N GLN 293.A O no hydrogen 2.549 N/A MET 304.A N VAL 300.A O no hydrogen 3.246 N/A ASN 305.A ND2 ASN 305.A O no hydrogen 3.039 N/A TYR 306.A N ILE 302.A O no hydrogen 3.199 N/A TYR 306.A N VAL 303.A O no hydrogen 2.714 N/A ILE 307.A N VAL 303.A O no hydrogen 3.091 N/A SER 312.A OG GLU 313.A OE2 no hydrogen 2.477 N/A GLU 313.A N LEU 310.A O no hydrogen 3.282 N/A THR 314.A N ASP 311.A O no hydrogen 3.231 N/A THR 314.A OG1 ASP 311.A O no hydrogen 2.764 N/A VAL 318.A N GLY 315.A O no hydrogen 3.131 N/A ARG 319.A N GLY 315.A O no hydrogen 3.344 N/A LEU 320.A N ALA 316.A O no hydrogen 2.877 N/A LEU 321.A N MET 317.A O no hydrogen 2.944 N/A GLU 322.A N VAL 318.A O no hydrogen 3.092 N/A GLU 322.A N ARG 319.A O no hydrogen 2.959 N/A ASP 323.A N LEU 320.A O no hydrogen 2.834 N/A