Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pyv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N LEU 151.A O no hydrogen 3.143 N/A THR 4.A N VAL 150.A O no hydrogen 3.039 N/A SER 6.A N LEU 173.A O no hydrogen 3.050 N/A VAL 8.A N ILE 171.A O no hydrogen 2.790 N/A LEU 10.A N GLY 169.A O no hydrogen 2.965 N/A THR 11.A N TYR 19.A O no hydrogen 2.800 N/A ASN 12.A ND2 ASP 15.A OD1 no hydrogen 2.817 N/A TYR 13.A N GLN 17.A O no hydrogen 2.701 N/A ASP 15.A N ASN 12.A OD1 no hydrogen 2.789 N/A THR 16.A N TYR 13.A O no hydrogen 3.131 N/A THR 16.A OG1 TYR 13.A O no hydrogen 3.264 N/A GLN 17.A N TYR 13.A O no hydrogen 3.017 N/A GLN 17.A NE2 LEU 119.A O no hydrogen 3.046 N/A TYR 18.A OH ASN 161.A O no hydrogen 2.724 N/A TYR 19.A N THR 11.A O no hydrogen 3.053 N/A GLY 20.A N VAL 33.A O no hydrogen 3.000 N/A ILE 22.A N PHE 31.A O no hydrogen 3.054 N/A GLY 23.A N THR 96.A O no hydrogen 3.038 N/A ILE 24.A N GLN 29.A O no hydrogen 2.732 N/A GLY 25.A N ILE 94.A O no hydrogen 2.897 N/A THR 26.A N SER 67.A OG no hydrogen 3.136 N/A THR 26.A OG1 SER 69.A OG no hydrogen 2.715 N/A GLN 29.A N ILE 24.A O no hydrogen 2.827 N/A GLN 29.A NE2 ASP 63.A O no hydrogen 2.826 N/A PHE 31.A N ILE 22.A O no hydrogen 2.954 N/A LYS 32.A N ASP 123.A OD2 no hydrogen 2.935 N/A VAL 33.A N GLY 20.A O no hydrogen 2.738 N/A VAL 34.A N GLY 124.A O no hydrogen 3.113 N/A ASP 36.A N VAL 126.A O no hydrogen 2.947 N/A THR 37.A N THR 222.A OG1 no hydrogen 2.795 N/A THR 37.A OG1 VAL 220.A O no hydrogen 2.728 N/A THR 37.A OG1 THR 222.A OG1 no hydrogen 3.020 N/A GLY 38.A N ASP 36.A OD1 no hydrogen 3.062 N/A SER 39.A OG ASP 36.A OD2 no hydrogen 2.781 N/A SER 40.A OG PHE 130.A O no hydrogen 2.710 N/A ASN 41.A ND2 ILE 135.A O no hydrogen 2.979 N/A TRP 43.A N VAL 125.A O no hydrogen 3.055 N/A TRP 43.A NE1 TYR 81.A OH no hydrogen 2.805 N/A VAL 44.A N GLY 107.A O no hydrogen 3.108 N/A SER 46.A N VAL 109.A O no hydrogen 2.824 N/A SER 46.A OG GLU 108.A OE2 no hydrogen 2.673 N/A SER 47.A N PHE 62.A O no hydrogen 2.811 N/A SER 47.A OG PHE 62.A O no hydrogen 3.064 N/A LYS 48.A N SER 46.A OG no hydrogen 3.144 N/A CYS 49.A N SER 46.A O no hydrogen 3.150 N/A CYS 49.A SG SER 50.A O no hydrogen 3.756 N/A CYS 49.A SG THR 110.A O no hydrogen 3.284 N/A ARG 51.A NE CYS 49.A O no hydrogen 3.264 N/A ARG 51.A NH2 CYS 49.A O no hydrogen 3.042 N/A CYS 56.A N TYR 53B.A O no hydrogen 3.068 N/A TYR 58.A N ALA 55.A O no hydrogen 3.165 N/A HIS 59.A N CYS 56.A O no hydrogen 3.488 N/A HIS 59.A ND1 ALA 55.A O no hydrogen 2.757 N/A HIS 59.A NE2 ALA 120.A O no hydrogen 2.806 N/A LYS 60.A N ASP 123.A OD1 no hydrogen 3.106 N/A LYS 60.A NZ THR 30.A O no hydrogen 2.806 N/A PHE 62.A N PRO 45.A O no hydrogen 2.811 N/A ASP 63.A N GLN 29.A OE1 no hydrogen 2.884 N/A SER 65.A N ASP 63.A OD1 no hydrogen 3.246 N/A SER 65.A OG ASP 63.A OD1 no hydrogen 2.806 N/A ASP 66.A N ASP 63.A O no hydrogen 3.427 N/A SER 67.A N ALA 64.A O no hydrogen 3.058 N/A SER 67.A OG ASP 93.A OD1 no hydrogen 3.265 N/A SER 67.A OG ASP 93.A OD2 no hydrogen 2.659 N/A SER 68.A N THR 26.A O no hydrogen 3.028 N/A SER 68.A OG THR 26.A O no hydrogen 3.429 N/A SER 69.A OG THR 26.A OG1 no hydrogen 2.715 N/A SER 69.A OG SER 67.A OG no hydrogen 3.283 N/A SER 69.A OG ASP 93.A OD1 no hydrogen 2.693 N/A LYS 71.A N GLN 92.A O no hydrogen 2.900 N/A LYS 71.A NZ SER 69.A O no hydrogen 3.438 N/A LYS 71.A NZ TYR 70.A O no hydrogen 3.490 N/A GLY 74.A N LEU 90.A O no hydrogen 2.935 N/A THR 75.A N ASN 73.A OD1 no hydrogen 3.186 N/A THR 75.A OG1 ASN 73.A OD1 no hydrogen 2.640 N/A LEU 77.A N GLY 88.A O no hydrogen 2.926 N/A LEU 79.A N VAL 86.A O no hydrogen 2.813 N/A TYR 81.A N GLY 84.A O no hydrogen 2.758 N/A GLY 84.A N TYR 81.A O no hydrogen 3.287 N/A VAL 86.A N LEU 79.A O no hydrogen 2.908 N/A SER 87.A N GLU 111.A O no hydrogen 3.313 N/A GLY 88.A N LEU 77.A O no hydrogen 2.958 N/A PHE 89.A N GLU 108.A O no hydrogen 3.023 N/A LEU 90.A N THR 75.A O no hydrogen 2.827 N/A SER 91.A N PHE 106.A O no hydrogen 2.791 N/A SER 91.A OG GLU 108.A OE1 no hydrogen 2.629 N/A GLN 92.A N LYS 71.A O no hydrogen 3.024 N/A ASP 93.A N GLN 104.A O no hydrogen 3.139 N/A ILE 94.A N ASP 93.A OD1 no hydrogen 2.774 N/A ILE 95.A N VAL 102.A O no hydrogen 2.877 N/A THR 96.A N GLY 23.A O no hydrogen 2.803 N/A VAL 97.A N ILE 100.A O no hydrogen 2.934 N/A ILE 100.A N VAL 97.A O no hydrogen 3.151 N/A VAL 102.A N ILE 95.A O no hydrogen 3.023 N/A GLN 104.A N ASP 93.A O no hydrogen 3.009 N/A GLN 104.A NE2 MET 105.A O no hydrogen 2.929 N/A GLN 104.A NE2 THR 139.A O no hydrogen 3.115 N/A PHE 106.A N SER 91.A O no hydrogen 2.805 N/A GLY 107.A N VAL 42.A O no hydrogen 2.908 N/A GLU 108.A N PHE 89.A O no hydrogen 2.784 N/A VAL 109.A N VAL 44.A O no hydrogen 3.015 N/A THR 110.A N SER 87.A O no hydrogen 2.818 N/A THR 110.A OG1 SER 87.A O no hydrogen 3.515 N/A GLU 111.A N SER 87.A O no hydrogen 2.919 N/A PHE 117.A N PRO 113.A O no hydrogen 3.265 N/A MET 118.A N ALA 114.A O no hydrogen 2.665 N/A LEU 119.A N PRO 116.A O no hydrogen 2.987 N/A ALA 120.A N PHE 117.A O no hydrogen 3.436 N/A GLU 121.A N GLN 17.A OE1 no hydrogen 2.801 N/A ASP 123.A N LYS 32.A O no hydrogen 2.702 N/A GLY 124.A N LYS 32.A O no hydrogen 3.229 N/A VAL 125.A N TRP 43.A O no hydrogen 2.990 N/A VAL 126.A N VAL 34.A O no hydrogen 2.864 N/A GLY 127.A N ASN 41.A O no hydrogen 3.026 N/A MET 128.A N ASP 36.A O no hydrogen 2.687 N/A GLY 129.A N SER 39.A O no hydrogen 2.824 N/A GLU 132.A N GLU 132.A OE1 no hydrogen 2.769 N/A GLN 133.A N PHE 130.A O no hydrogen 3.053 N/A ALA 134.A N ILE 131.A O no hydrogen 2.884 N/A ILE 135.A N ASN 41.A OD1 no hydrogen 3.025 N/A ARG 137.A N ALA 134.A O no hydrogen 2.940 N/A ASN 144.A N PRO 140.A O no hydrogen 3.067 N/A ASN 144.A ND2 GLN 104.A OE1 no hydrogen 2.722 N/A ILE 145.A N ILE 141.A O no hydrogen 2.840 N/A ILE 146.A N PHE 142.A O no hydrogen 2.758 N/A SER 147.A N ASP 143.A O no hydrogen 3.038 N/A SER 147.A OG ASP 143.A O no hydrogen 3.382 N/A GLN 148.A N ILE 145.A O no hydrogen 3.197 N/A GLN 148.A NE2 THR 101.A O no hydrogen 2.759 N/A GLY 149.A N ILE 146.A O no hydrogen 2.984 N/A LYS 152.A N THR 4.A O no hydrogen 2.929 N/A LYS 152.A NZ ASN 3.A OD1 no hydrogen 2.815 N/A PHE 156.A N PHE 322.A O no hydrogen 3.057 N/A SER 157.A N VAL 172.A O no hydrogen 2.875 N/A SER 157.A OG GLY 175.A O no hydrogen 2.713 N/A SER 157.A OG TYR 319.A OH no hydrogen 2.924 N/A PHE 158.A N THR 320.A O no hydrogen 2.808 N/A TYR 159.A N GLN 170.A O no hydrogen 2.879 N/A TYR 160.A OH THR 222.A O no hydrogen 2.687 N/A ASN 161.A N GLY 168.A O no hydrogen 3.002 N/A ASN 161.A ND2 LEU 167.A O no hydrogen 2.733 N/A ARG 162.A N ASN 161.A OD1 no hydrogen 2.743 N/A GLN 170.A N TYR 159.A O no hydrogen 2.808 N/A GLN 170.A NE2 ASP 177.A OD2 no hydrogen 3.226 N/A ILE 171.A N VAL 8.A O no hydrogen 3.120 N/A VAL 172.A N SER 157.A O no hydrogen 2.933 N/A LEU 173.A N SER 6.A O no hydrogen 2.683 N/A GLY 174.A N VAL 155.A O no hydrogen 2.759 N/A SER 176.A OG TYR 181.A OH no hydrogen 3.200 N/A ASP 177.A N TYR 319.A OH no hydrogen 2.848 N/A GLN 179.A N ASP 177.A OD1 no hydrogen 2.935 N/A HIS 180.A N ASP 177.A O no hydrogen 3.124 N/A TYR 181.A N PRO 178.A O no hydrogen 3.485 N/A TYR 181.A OH SER 176.A OG no hydrogen 3.200 N/A GLU 182.A N LEU 333.A O no hydrogen 2.820 N/A HIS 186.A N PHE 331.A O no hydrogen 3.160 N/A TYR 187.A OH GLU 321.A OE1 no hydrogen 2.949 N/A ILE 188.A N ILE 329.A O no hydrogen 2.929 N/A LEU 190.A N ASN 327.A O no hydrogen 2.889 N/A ILE 191.A N GLN 197.A O no hydrogen 3.224 N/A TRP 196.A NE1 MET 128.A O no hydrogen 2.987 N/A GLN 197.A NE2 THR 304.A O no hydrogen 3.004 N/A GLN 197.A NE2 THR 307.A OG1 no hydrogen 2.858 N/A ILE 198.A N ALA 218.A O no hydrogen 2.782 N/A GLN 199.A NE2 MET 200.A O no hydrogen 3.695 N/A MET 200.A N CYS 216.A O no hydrogen 2.733 N/A LYS 201.A N HIS 266.A O no hydrogen 2.779 N/A LYS 201.A NZ GLY 268.A O no hydrogen 2.776 N/A VAL 203.A N LEU 211.A O no hydrogen 2.852 N/A SER 204.A N SER 264.A O no hydrogen 2.956 N/A VAL 205.A N SER 208.A O no hydrogen 3.339 N/A GLY 206.A N ASP 262.A O no hydrogen 2.818 N/A LEU 211.A N VAL 203.A O no hydrogen 2.991 N/A CYS 212.A SG MET 200.A O no hydrogen 3.315 N/A GLY 215.A N CYS 212.A O no hydrogen 3.168 N/A CYS 216.A N MET 200.A O no hydrogen 2.806 N/A ALA 218.A N ILE 198.A O no hydrogen 2.809 N/A LEU 219.A N TRP 308.A O no hydrogen 2.809 N/A VAL 220.A N TRP 196.A O no hydrogen 2.985 N/A ASP 221.A N LEU 310.A O no hydrogen 3.107 N/A THR 222.A N THR 37.A OG1 no hydrogen 2.811 N/A THR 222.A OG1 PHE 35.A O no hydrogen 2.712 N/A THR 222.A OG1 THR 37.A OG1 no hydrogen 3.020 N/A GLY 223.A N ASP 221.A OD1 no hydrogen 3.218 N/A ALA 224.A N ASP 221.A O no hydrogen 3.143 N/A SER 225.A OG THR 16.A O no hydrogen 2.744 N/A ILE 227.A N ALA 294.A O no hydrogen 2.974 N/A SER 228.A N ALA 309.A O no hydrogen 2.752 N/A SER 230.A OG SER 232.A OG no hydrogen 3.079 N/A SER 230.A OG SER 233.A OG no hydrogen 3.135 N/A THR 231.A N ASP 299.A OD1 no hydrogen 2.907 N/A THR 231.A OG1 ASP 299.A OD1 no hydrogen 3.208 N/A THR 231.A OG1 ASP 299.A OD2 no hydrogen 2.656 N/A SER 232.A OG SER 230.A OG no hydrogen 3.079 N/A SER 233.A N SER 230.A OG no hydrogen 3.202 N/A SER 233.A OG SER 230.A OG no hydrogen 3.135 N/A ILE 234.A N SER 230.A O no hydrogen 2.878 N/A GLU 235.A N THR 231.A O no hydrogen 2.938 N/A LYS 236.A N SER 232.A O no hydrogen 3.126 N/A LEU 237.A N SER 233.A O no hydrogen 2.983 N/A MET 238.A N ILE 234.A O no hydrogen 2.842 N/A GLU 239.A N GLU 235.A O no hydrogen 3.101 N/A ALA 240.A N LYS 236.A O no hydrogen 3.103 N/A LEU 241.A N LEU 237.A O no hydrogen 3.165 N/A LEU 241.A N MET 238.A O no hydrogen 3.308 N/A GLY 242.A N MET 238.A O no hydrogen 2.939 N/A ALA 243.A N MET 238.A O no hydrogen 2.758 N/A LYS 244.A N VAL 251.A O no hydrogen 2.818 N/A LYS 245.A NZ ARG 246.A O no hydrogen 3.192 N/A LYS 245.A NZ LEU 247.A O no hydrogen 3.488 N/A ARG 246.A N ASP 249.A O no hydrogen 2.982 N/A ARG 246.A NE ASP 249.A OD1 no hydrogen 3.332 N/A ARG 246.A NE ASP 249.A OD2 no hydrogen 3.507 N/A ARG 246.A NH2 ASP 249.A OD2 no hydrogen 3.314 N/A VAL 251.A N LYS 244.A O no hydrogen 2.919 N/A VAL 252.A N CYS 291.A O no hydrogen 2.980 N/A LYS 253.A N GLU 256.A OE2 no hydrogen 3.474 N/A LYS 253.A NZ SER 287A.A O no hydrogen 2.807 N/A CYS 254.A N LYS 289C.A O no hydrogen 2.826 N/A CYS 254.A SG SER 284.A OG no hydrogen 3.770 N/A ASN 255.A N SER 286.A O no hydrogen 3.288 N/A GLU 256.A N LYS 253.A O no hydrogen 3.136 N/A GLY 257.A N CYS 254.A O no hydrogen 3.255 N/A THR 259.A OG1 GLU 256.A O no hydrogen 3.251 N/A LEU 260.A N GLY 257.A O no hydrogen 3.291 N/A ILE 263.A N LEU 274.A O no hydrogen 2.877 N/A SER 264.A N SER 204.A O no hydrogen 2.947 N/A SER 264.A OG THR 273.A OG1 no hydrogen 2.639 N/A PHE 265.A N TYR 272.A O no hydrogen 2.771 N/A HIS 266.A N GLY 202.A O no hydrogen 2.842 N/A LEU 267.A N LYS 270.A O no hydrogen 3.085 N/A TYR 272.A N PHE 265.A O no hydrogen 2.812 N/A THR 273.A OG1 SER 264.A OG no hydrogen 2.639 N/A LEU 274.A N ILE 263.A O no hydrogen 2.782 N/A THR 275.A N ASP 278.A OD2 no hydrogen 2.853 N/A THR 275.A OG1 ASP 278.A OD2 no hydrogen 3.078 N/A SER 276.A OG GLY 257.A O no hydrogen 3.152 N/A ASP 278.A N THR 275.A O no hydrogen 2.906 N/A TYR 279.A N SER 276.A O no hydrogen 3.243 N/A TYR 279.A OH PRO 261.A O no hydrogen 2.642 N/A VAL 280.A N SER 276.A O no hydrogen 2.872 N/A PHE 281.A N THR 292.A O no hydrogen 2.930 N/A GLN 282.A NE2 CYS 254.A O no hydrogen 2.911 N/A GLN 282.A NE2 SER 284.A O no hydrogen 2.744 N/A GLU 283.A N PHE 281.A O no hydrogen 2.772 N/A SER 286.A N SER 284.A OG no hydrogen 3.341 N/A CYS 291.A N VAL 252.A O no hydrogen 2.810 N/A CYS 291.A SG PHE 281.A O no hydrogen 3.540 N/A CYS 291.A SG SER 284.A O no hydrogen 3.979 N/A THR 292.A OG1 ASP 249.A OD2 no hydrogen 2.781 N/A LEU 293.A N TYR 250.A O no hydrogen 3.066 N/A ALA 294.A N TYR 279.A O no hydrogen 2.698 N/A HIS 296.A N ILE 227.A O no hydrogen 3.045 N/A MET 298.A N GLY 229.A O no hydrogen 2.796 N/A THR 304.A OG1 GLN 133.A OE1 no hydrogen 3.189 N/A GLY 305.A N PRO 301.A O no hydrogen 3.202 N/A THR 307.A OG1 TRP 308.A O no hydrogen 2.897 N/A TRP 308.A N LEU 217.A O no hydrogen 2.915 N/A ALA 309.A N SER 228.A O no hydrogen 2.767 N/A LEU 310.A N LEU 219.A O no hydrogen 2.736 N/A ALA 312.A N ALA 224.A O no hydrogen 2.836 N/A THR 313.A OG1 SER 225.A O no hydrogen 3.391 N/A THR 313.A OG1 ALA 294.A O no hydrogen 2.958 N/A PHE 314.A N GLY 311.A O no hydrogen 3.017 N/A ILE 315.A N GLY 311.A O no hydrogen 3.137 N/A ARG 316.A N ALA 312.A O no hydrogen 2.943 N/A ARG 316.A NH1 ASP 15.A O no hydrogen 2.761 N/A ARG 316.A NH1 TYR 18.A OH no hydrogen 2.960 N/A LYS 317.A N PHE 314.A O no hydrogen 3.173 N/A LYS 317.A NZ THR 273.A O no hydrogen 2.737 N/A LYS 317.A NZ ASP 278.A OD2 no hydrogen 2.904 N/A PHE 318.A N PHE 314.A O no hydrogen 2.964 N/A TYR 319.A N ALA 332.A O no hydrogen 2.846 N/A TYR 319.A OH SER 157.A OG no hydrogen 2.924 N/A THR 320.A N PHE 158.A O no hydrogen 3.154 N/A THR 320.A OG1 PHE 318.A O no hydrogen 2.993 N/A GLU 321.A N GLY 330.A O no hydrogen 2.814 N/A PHE 322.A N PHE 156.A O no hydrogen 2.793 N/A ASP 323.A N ARG 328.A O no hydrogen 2.955 N/A ARG 324.A N ASP 154.A O no hydrogen 2.934 N/A ARG 324.A NH1 ASP 143.A OD1 no hydrogen 2.934 N/A ASN 326.A N ASP 323.A OD1 no hydrogen 3.176 N/A ASN 326.A ND2 ASP 323.A OD2 no hydrogen 3.007 N/A ASN 327.A ND2 THR 193.A OG1 no hydrogen 2.808 N/A ARG 328.A N ASP 323.A O no hydrogen 3.291 N/A ARG 328.A NE ASP 323.A OD2 no hydrogen 3.054 N/A ILE 329.A N ILE 188.A O no hydrogen 2.947 N/A GLY 330.A N GLU 321.A O no hydrogen 2.847 N/A PHE 331.A N HIS 186.A O no hydrogen 3.084 N/A ALA 332.A N TYR 319.A O no hydrogen 3.072 N/A ALA 334.A N LYS 317.A O no hydrogen 2.934 N/A ARG 335.A N HIS 180.A O no hydrogen 2.818 N/A ARG 335.A NH1 TYR 181.A O no hydrogen 3.254 N/A LEU 52A.A N SER 50.A OG no hydrogen 3.276 N/A TYR 53B.A N SER 50.A O no hydrogen 3.076 N/A LYS 288B.A N SER 286.A OG no hydrogen 2.915 N/A LYS 289C.A N SER 286.A O no hydrogen 3.365 N/A