Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pvr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 5.A OE2 no hydrogen 3.147 N/A THR 2.A OG1 GLU 5.A OE1 no hydrogen 2.284 N/A GLU 5.A N THR 2.A OG1 no hydrogen 3.150 N/A VAL 6.A N THR 2.A O no hydrogen 3.057 N/A ARG 7.A N SER 3.A O no hydrogen 3.078 N/A LYS 8.A N ASP 4.A O no hydrogen 2.964 N/A LYS 8.A NZ ASP 12.A OD1 no hydrogen 2.875 N/A LYS 8.A NZ ASP 12.A OD2 no hydrogen 3.393 N/A ASN 9.A N GLU 5.A O no hydrogen 2.911 N/A ASN 9.A ND2 SER 85.A O no hydrogen 2.635 N/A LEU 10.A N VAL 6.A O no hydrogen 2.900 N/A MET 11.A N ARG 7.A O no hydrogen 3.041 N/A ASP 12.A N LYS 8.A O no hydrogen 2.876 N/A MET 13.A N ASN 9.A O no hydrogen 2.827 N/A PHE 14.A N LEU 10.A O no hydrogen 3.073 N/A ARG 15.A N MET 11.A O no hydrogen 2.942 N/A ASP 16.A N ASP 12.A O no hydrogen 3.206 N/A ARG 17.A N PHE 14.A O no hydrogen 3.293 N/A ARG 17.A NH1 PHE 14.A O no hydrogen 2.378 N/A ALA 19.A N ASP 16.A O no hydrogen 3.246 N/A PHE 20.A N ARG 17.A O no hydrogen 3.199 N/A SER 21.A OG THR 24.A OG1 no hydrogen 2.677 N/A THR 24.A N SER 21.A O no hydrogen 3.025 N/A THR 24.A N SER 21.A OG no hydrogen 3.113 N/A THR 24.A OG1 SER 21.A OG no hydrogen 2.677 N/A TRP 25.A N SER 21.A O no hydrogen 3.201 N/A TRP 25.A NE1 ARG 17.A O no hydrogen 2.568 N/A LYS 26.A N GLU 22.A O no hydrogen 2.803 N/A MET 27.A N HIS 23.A O no hydrogen 3.094 N/A LEU 28.A N THR 24.A O no hydrogen 2.906 N/A LEU 29.A N TRP 25.A O no hydrogen 2.963 N/A SER 30.A N LYS 26.A O no hydrogen 2.930 N/A VAL 31.A N MET 27.A O no hydrogen 2.868 N/A CYS 32.A N LEU 28.A O no hydrogen 3.048 N/A CYS 32.A SG LEU 28.A O no hydrogen 3.264 N/A ARG 33.A N LEU 29.A O no hydrogen 2.896 N/A SER 34.A N SER 30.A O no hydrogen 3.101 N/A SER 34.A OG TYR 57.A OH no hydrogen 2.363 N/A TRP 35.A N VAL 31.A O no hydrogen 2.696 N/A TRP 35.A NE1 TRP 46.A O no hydrogen 2.744 N/A ALA 36.A N CYS 32.A O no hydrogen 2.819 N/A ALA 37.A N ARG 33.A O no hydrogen 3.126 N/A TRP 38.A N SER 34.A O no hydrogen 3.190 N/A CYS 39.A N TRP 35.A O no hydrogen 2.920 N/A CYS 39.A SG TRP 35.A O no hydrogen 3.413 N/A CYS 39.A SG LYS 45.A O no hydrogen 3.749 N/A LYS 40.A N ALA 36.A O no hydrogen 2.867 N/A LEU 41.A N ALA 37.A O no hydrogen 2.780 N/A ASN 42.A N TRP 38.A O no hydrogen 2.683 N/A ASN 42.A ND2 TRP 38.A O no hydrogen 3.491 N/A ASN 43.A N LYS 40.A O no hydrogen 3.119 N/A ARG 44.A N CYS 39.A O no hydrogen 2.806 N/A ARG 44.A NE ASN 42.A O no hydrogen 2.722 N/A ARG 44.A NH1 ASP 53.A OD1 no hydrogen 3.090 N/A ARG 44.A NH1 ASP 56.A OD2 no hydrogen 2.691 N/A ARG 44.A NH2 ASP 56.A OD2 no hydrogen 2.903 N/A ALA 49.A N HIS 82.A NE2 no hydrogen 2.804 N/A GLU 52.A N GLU 50.A OE2 no hydrogen 2.839 N/A VAL 54.A N GLU 50.A O no hydrogen 3.085 N/A ARG 55.A N PRO 51.A O no hydrogen 3.144 N/A ASP 56.A N GLU 52.A O no hydrogen 2.997 N/A TYR 57.A N ASP 53.A O no hydrogen 2.894 N/A TYR 57.A OH SER 34.A OG no hydrogen 2.363 N/A TYR 57.A OH HIS 74.A ND1 no hydrogen 2.485 N/A LEU 58.A N VAL 54.A O no hydrogen 2.965 N/A LEU 59.A N ARG 55.A O no hydrogen 2.964 N/A TYR 60.A N ASP 56.A O no hydrogen 2.913 N/A LEU 61.A N TYR 57.A O no hydrogen 2.796 N/A GLN 62.A N LEU 58.A O no hydrogen 2.992 N/A GLN 62.A NE2 GLU 106.A OE1 no hydrogen 3.423 N/A GLN 62.A NE2 ASN 107.A OD1 no hydrogen 2.956 N/A ALA 63.A N LEU 59.A O no hydrogen 2.873 N/A ARG 64.A N TYR 60.A O no hydrogen 2.921 N/A GLY 65.A N GLN 62.A O no hydrogen 2.743 N/A LEU 66.A N LEU 61.A O no hydrogen 3.105 N/A VAL 68.A N GLU 112.A OE2 no hydrogen 2.506 N/A ILE 71.A N ALA 67.A O no hydrogen 3.016 N/A GLN 72.A N VAL 68.A O no hydrogen 3.003 N/A GLN 73.A N LYS 69.A O no hydrogen 3.012 N/A HIS 74.A N THR 70.A O no hydrogen 3.028 N/A HIS 74.A ND1 TYR 57.A OH no hydrogen 2.485 N/A LEU 75.A N ILE 71.A O no hydrogen 2.956 N/A GLY 76.A N GLN 72.A O no hydrogen 2.640 N/A GLN 77.A N GLN 73.A O no hydrogen 2.785 N/A GLN 77.A NE2 GLN 73.A OE1 no hydrogen 2.710 N/A LEU 78.A N HIS 74.A O no hydrogen 3.109 N/A ASN 79.A N LEU 75.A O no hydrogen 2.783 N/A ASN 79.A ND2 SER 91.A OG no hydrogen 2.276 N/A MET 80.A N GLY 76.A O no hydrogen 3.075 N/A LEU 81.A N GLN 77.A O no hydrogen 2.972 N/A HIS 82.A N LEU 78.A O no hydrogen 3.042 N/A HIS 82.A ND1 LEU 78.A O no hydrogen 2.770 N/A ARG 83.A N ASN 79.A O no hydrogen 2.926 N/A ARG 84.A N MET 80.A O no hydrogen 2.961 N/A SER 85.A N HIS 82.A O no hydrogen 3.316 N/A SER 85.A OG LEU 81.A O no hydrogen 3.112 N/A SER 85.A OG HIS 82.A O no hydrogen 3.530 N/A LEU 87.A N HIS 82.A O no hydrogen 2.843 N/A ARG 89.A NE ASP 92.A OD1 no hydrogen 2.966 N/A ARG 89.A NH2 ASP 92.A OD1 no hydrogen 3.401 N/A SER 91.A N ASN 79.A OD1 no hydrogen 2.997 N/A ASP 92.A N ARG 89.A O no hydrogen 3.327 N/A SER 93.A N PRO 90.A O no hydrogen 3.044 N/A SER 93.A OG PRO 90.A O no hydrogen 2.288 N/A SER 97.A N SER 93.A O no hydrogen 2.880 N/A SER 97.A OG SER 91.A O no hydrogen 2.958 N/A SER 97.A OG SER 93.A O no hydrogen 3.346 N/A LEU 98.A N ASN 94.A O no hydrogen 2.802 N/A VAL 99.A N ALA 95.A O no hydrogen 2.939 N/A MET 100.A N VAL 96.A O no hydrogen 3.135 N/A ARG 101.A N SER 97.A O no hydrogen 3.158 N/A ARG 102.A N LEU 98.A O no hydrogen 2.829 N/A ILE 103.A N VAL 99.A O no hydrogen 2.826 N/A ARG 104.A N MET 100.A O no hydrogen 3.003 N/A ARG 104.A NH1 GLN 72.A OE1 no hydrogen 2.361 N/A LYS 105.A N ARG 101.A O no hydrogen 3.271 N/A GLU 106.A N ARG 102.A O no hydrogen 2.768 N/A ASN 107.A N ILE 103.A O no hydrogen 2.958 N/A ASN 107.A ND2 GLU 112.A OE1 no hydrogen 2.834 N/A VAL 108.A N ARG 104.A O no hydrogen 3.275 N/A ASP 109.A N LYS 105.A O no hydrogen 3.120 N/A GLY 111.A N VAL 108.A O no hydrogen 3.289 N/A LYS 115.A NZ ARG 265.A O no hydrogen 3.096 N/A GLN 116.A NE2 ASN 306.A O no hydrogen 3.100 N/A PHE 120.A N SER 273.A O no hydrogen 2.810 N/A GLU 121.A N ASP 124.A OD2 no hydrogen 2.906 N/A ARG 122.A N ASP 281.A OD2 no hydrogen 3.064 N/A ARG 122.A NE ASP 126.A OD2 no hydrogen 3.354 N/A ASP 124.A N GLU 121.A O no hydrogen 2.409 N/A PHE 125.A N GLU 121.A O no hydrogen 2.789 N/A ASP 126.A N ARG 122.A O no hydrogen 2.856 N/A GLN 127.A NE2 THR 123.A O no hydrogen 3.663 N/A VAL 128.A N ASP 124.A O no hydrogen 3.033 N/A ARG 129.A N PHE 125.A O no hydrogen 2.781 N/A SER 130.A N ASP 126.A O no hydrogen 2.721 N/A SER 130.A N GLN 127.A O no hydrogen 2.771 N/A SER 130.A OG GLN 127.A O no hydrogen 3.224 N/A LEU 131.A N VAL 128.A O no hydrogen 2.620 N/A MET 132.A N VAL 128.A O no hydrogen 2.829 N/A SER 135.A OG ASP 140.A OD2 no hydrogen 2.764 N/A ARG 137.A NH2 ASP 140.A OD1 no hydrogen 3.204 N/A ASP 140.A N ARG 137.A O no hydrogen 2.722 N/A ILE 141.A N ARG 137.A O no hydrogen 3.022 N/A ARG 142.A N CYS 138.A O no hydrogen 3.030 N/A ARG 142.A NE ASN 143.A OD1 no hydrogen 2.866 N/A ARG 142.A NH1 CYS 223.A O no hydrogen 2.991 N/A ARG 142.A NH2 ASN 143.A OD1 no hydrogen 2.866 N/A ASN 143.A N GLN 139.A O no hydrogen 3.317 N/A ASN 143.A ND2 GLN 139.A OE1 no hydrogen 3.441 N/A LEU 144.A N ILE 141.A O no hydrogen 3.047 N/A ALA 145.A N ILE 141.A O no hydrogen 3.239 N/A PHE 146.A N ARG 142.A O no hydrogen 3.124 N/A LEU 147.A N ASN 143.A O no hydrogen 3.093 N/A GLY 148.A N ALA 145.A O no hydrogen 2.480 N/A ILE 149.A N ALA 145.A O no hydrogen 2.642 N/A ALA 150.A N PHE 146.A O no hydrogen 2.813 N/A TYR 151.A N LEU 147.A O no hydrogen 3.390 N/A TYR 151.A OH ASP 281.A OD2 no hydrogen 2.840 N/A ASN 152.A N GLY 148.A O no hydrogen 2.970 N/A ASN 152.A ND2 ALA 195.A O no hydrogen 2.882 N/A THR 153.A N ILE 149.A O no hydrogen 3.155 N/A THR 153.A OG1 ILE 149.A O no hydrogen 2.443 N/A LEU 154.A N ALA 150.A O no hydrogen 3.037 N/A LEU 155.A N THR 153.A OG1 no hydrogen 3.246 N/A GLU 159.A N ARG 156.A O no hydrogen 3.115 N/A ILE 160.A N ARG 156.A O no hydrogen 3.082 N/A ILE 160.A N LEU 157.A O no hydrogen 2.685 N/A ALA 161.A N LEU 157.A O no hydrogen 3.339 N/A VAL 165.A N ASN 219.A O no hydrogen 2.963 N/A LYS 166.A NZ PRO 217.A O no hydrogen 3.475 N/A ILE 168.A N VAL 165.A O no hydrogen 2.980 N/A SER 169.A OG ARG 170.A O no hydrogen 3.508 N/A GLY 174.A N THR 171.A O no hydrogen 2.625 N/A ARG 175.A N THR 171.A O no hydrogen 2.891 N/A ARG 175.A NE ASP 172.A O no hydrogen 2.675 N/A MET 176.A N THR 201.A OG1 no hydrogen 2.932 N/A LEU 177.A N SER 169.A O no hydrogen 2.922 N/A HIS 179.A N ASP 167.A O no hydrogen 3.410 N/A ILE 180.A N VAL 192.A O no hydrogen 2.785 N/A THR 183.A OG1 THR 189.A O no hydrogen 2.536 N/A THR 183.A OG1 THR 189.A OG1 no hydrogen 2.559 N/A THR 189.A OG1 THR 183.A OG1 no hydrogen 2.559 N/A LYS 194.A N ILE 178.A O no hydrogen 2.461 N/A LYS 194.A NZ THR 153.A O no hydrogen 2.944 N/A LYS 194.A NZ ALA 295.A O no hydrogen 3.488 N/A LEU 196.A N MET 176.A O no hydrogen 3.300 N/A GLY 199.A N SER 197.A OG no hydrogen 2.410 N/A THR 201.A N SER 197.A O no hydrogen 3.014 N/A VAL 204.A N VAL 200.A O no hydrogen 3.442 N/A GLU 205.A N THR 201.A O no hydrogen 3.249 N/A ARG 206.A NH1 GLU 133.A O no hydrogen 3.126 N/A TRP 207.A N LEU 203.A O no hydrogen 3.305 N/A TRP 207.A NE1 LEU 221.A O no hydrogen 2.658 N/A ILE 208.A N VAL 204.A O no hydrogen 3.304 N/A SER 209.A N GLU 205.A O no hydrogen 2.869 N/A VAL 210.A N ARG 206.A O no hydrogen 2.709 N/A SER 211.A N TRP 207.A O no hydrogen 2.351 N/A SER 211.A OG TRP 207.A O no hydrogen 2.462 N/A ASP 215.A N VAL 213.A O no hydrogen 2.463 N/A ASN 218.A N ASP 216.A OD1 no hydrogen 3.397 N/A ASN 219.A N ASP 216.A O no hydrogen 2.816 N/A ASN 219.A ND2 VAL 213.A O no hydrogen 3.557 N/A LEU 221.A N ILE 163.A O no hydrogen 2.977 N/A ARG 226.A N VAL 230.A O no hydrogen 2.989 N/A GLY 229.A N ARG 226.A O no hydrogen 2.929 N/A VAL 230.A N ASN 228.A OD1 no hydrogen 3.413 N/A ALA 232.A N ARG 224.A O no hydrogen 2.931 N/A SER 237.A N SER 234.A O no hydrogen 3.187 N/A SER 237.A OG THR 236.A O no hydrogen 2.896 N/A ALA 243.A N SER 240.A O no hydrogen 3.245 N/A LEU 244.A N SER 240.A O no hydrogen 3.409 N/A GLY 245.A N ASN 241.A O no hydrogen 2.763 N/A ILE 247.A N ALA 243.A O no hydrogen 2.863 N/A PHE 248.A N GLY 245.A O no hydrogen 3.312 N/A GLY 249.A N GLY 245.A O no hydrogen 3.230 N/A ALA 250.A N GLY 246.A O no hydrogen 2.659 N/A THR 251.A N ILE 247.A O no hydrogen 3.053 N/A THR 251.A OG1 ILE 247.A O no hydrogen 2.595 N/A HIS 252.A N PHE 248.A O no hydrogen 3.345 N/A ARG 253.A N GLY 249.A O no hydrogen 3.215 N/A LEU 254.A N ALA 250.A O no hydrogen 3.117 N/A ILE 255.A N THR 251.A O no hydrogen 3.439 N/A TYR 256.A N HIS 252.A O no hydrogen 2.641 N/A GLY 257.A N ARG 253.A O no hydrogen 2.290 N/A ASP 260.A N ASP 260.A OD1 no hydrogen 2.242 N/A ARG 265.A N GLN 264.A OE1 no hydrogen 3.199 N/A TRP 269.A NE1 ALA 119.A O no hydrogen 2.977 N/A SER 270.A N SER 273.A OG no hydrogen 2.604 N/A SER 273.A N SER 270.A O no hydrogen 2.984 N/A SER 273.A OG SER 270.A O no hydrogen 2.755 N/A ARG 275.A NH1 LEU 154.A O no hydrogen 2.690 N/A ARG 275.A NH1 GLY 296.A O no hydrogen 3.459 N/A VAL 276.A N HIS 272.A O no hydrogen 3.087 N/A GLY 277.A N ALA 274.A O no hydrogen 3.201 N/A ALA 278.A N ALA 274.A O no hydrogen 2.837 N/A ALA 279.A N ARG 275.A O no hydrogen 2.901 N/A ARG 280.A NE GLU 121.A OE1 no hydrogen 3.360 N/A ARG 280.A NH1 TYR 307.A O no hydrogen 2.836 N/A ARG 280.A NH1 ASN 310.A OD1 no hydrogen 2.557 N/A ARG 280.A NH2 ASN 310.A OD1 no hydrogen 3.045 N/A ASP 281.A N GLY 277.A O no hydrogen 2.894 N/A MET 282.A N ALA 278.A O no hydrogen 2.639 N/A ALA 283.A N ALA 279.A O no hydrogen 2.621 N/A ARG 284.A N ARG 280.A O no hydrogen 2.500 N/A ARG 284.A NH2 GLU 121.A OE2 no hydrogen 2.752 N/A ALA 285.A N ASP 281.A O no hydrogen 2.998 N/A GLY 286.A N ALA 283.A O no hydrogen 2.675 N/A ILE 292.A N SER 288.A O no hydrogen 3.445 N/A MET 293.A N ILE 289.A O no hydrogen 2.569 N/A GLN 294.A N GLU 291.A O no hydrogen 2.822 N/A ALA 295.A N GLU 291.A O no hydrogen 2.299 N/A GLY 297.A N GLN 294.A O no hydrogen 2.851 N/A ILE 303.A N ASN 300.A O no hydrogen 3.243 N/A MET 305.A N VAL 301.A O no hydrogen 2.782 N/A ASN 306.A N ASN 302.A O no hydrogen 3.030 N/A ILE 308.A N VAL 304.A O no hydrogen 3.238 N/A LEU 311.A N ILE 308.A O no hydrogen 3.329 N/A GLU 314.A N LEU 311.A O no hydrogen 2.747 N/A THR 315.A N ASP 312.A O no hydrogen 3.020 N/A ARG 320.A N GLY 316.A O no hydrogen 3.394 N/A LEU 321.A N ALA 317.A O no hydrogen 2.781 N/A LEU 322.A N MET 318.A O no hydrogen 2.855 N/A GLU 323.A N VAL 319.A O no hydrogen 2.898 N/A ASP 324.A N LEU 321.A O no hydrogen 2.838 N/A