Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pvq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N VAL 29.A O no hydrogen 3.049 N/A VAL 4.A N THR 55.A O no hydrogen 2.987 N/A HIS 6.A N VAL 53.A O no hydrogen 3.128 N/A HIS 6.A ND1 THR 55.A OG1 no hydrogen 2.745 N/A SER 8.A OG ASP 92.A OD1 no hydrogen 3.347 N/A SER 8.A OG ASP 92.A OD2 no hydrogen 2.824 N/A CYS 10.A N ALA 24.A O no hydrogen 2.858 N/A CYS 10.A SG ALA 24.A O no hydrogen 3.835 N/A ARG 12.A NH1 SER 19.A O no hydrogen 2.887 N/A ASP 13.A N GLY 20.A O no hydrogen 2.857 N/A GLU 14.A N SER 19.A OG no hydrogen 3.055 N/A LYS 16.A N GLU 14.A O no hydrogen 2.904 N/A SER 19.A N LYS 16.A O no hydrogen 3.262 N/A SER 19.A OG GLU 14.A O no hydrogen 2.882 N/A SER 19.A OG LYS 16.A O no hydrogen 2.940 N/A THR 22.A OG1 THR 159.A OG1 no hydrogen 3.422 N/A GLN 23.A N THR 22.A OG1 no hydrogen 2.690 N/A GLN 23.A NE2 ASN 11.A OD1 no hydrogen 2.924 N/A ALA 24.A N CYS 10.A O no hydrogen 3.253 N/A LEU 26.A N SER 8.A O no hydrogen 3.058 N/A GLY 27.A N VAL 5.A O no hydrogen 2.771 N/A VAL 29.A N GLY 3.A O no hydrogen 2.920 N/A LYS 30.A N GLN 41.A O no hydrogen 3.019 N/A VAL 31.A N ALA 1.A O no hydrogen 2.816 N/A LEU 32.A N GLU 39.A O no hydrogen 2.708 N/A GLN 33.A NE2 GLU 39.A OE1 no hydrogen 2.978 N/A THR 35.A N TRP 37.A O no hydrogen 2.899 N/A THR 35.A OG1 TRP 37.A O no hydrogen 3.447 N/A TYR 38.A N VAL 50.A O no hydrogen 2.812 N/A GLU 39.A N GLN 33.A O no hydrogen 2.905 N/A ILE 40.A N GLY 48.A O no hydrogen 2.875 N/A GLN 41.A N LYS 30.A O no hydrogen 2.895 N/A GLN 41.A NE2 ASP 45.A O no hydrogen 2.905 N/A THR 42.A N TYR 46.A O no hydrogen 2.937 N/A THR 42.A OG1 ASP 44.A OD1 no hydrogen 2.498 N/A THR 42.A OG1 TYR 46.A O no hydrogen 3.251 N/A ASP 45.A N THR 42.A O no hydrogen 2.893 N/A TYR 46.A N ASP 44.A OD1 no hydrogen 2.999 N/A GLY 48.A N ILE 40.A O no hydrogen 3.054 N/A TRP 49.A N ARG 12.A O no hydrogen 2.784 N/A VAL 50.A N TYR 38.A O no hydrogen 2.944 N/A THR 55.A N VAL 4.A O no hydrogen 2.768 N/A THR 55.A OG1 HIS 6.A ND1 no hydrogen 2.745 N/A LYS 58.A NZ HIS 287.A O no hydrogen 3.113 N/A LYS 60.A N SER 57.A OG no hydrogen 3.196 N/A TYR 61.A N SER 57.A O no hydrogen 2.961 N/A TYR 61.A OH TYR 283.A O no hydrogen 2.588 N/A ASP 62.A N LYS 58.A O no hydrogen 2.837 N/A GLU 63.A N GLU 59.A O no hydrogen 2.985 N/A TRP 64.A N LYS 60.A O no hydrogen 2.857 N/A TRP 64.A NE1 GLY 27.A O no hydrogen 2.920 N/A ASN 65.A N TYR 61.A O no hydrogen 3.071 N/A ASN 65.A ND2 TYR 283.A O no hydrogen 2.992 N/A ARG 66.A N ASP 62.A O no hydrogen 2.985 N/A ALA 67.A N GLU 63.A O no hydrogen 3.096 N/A LYS 69.A N GLU 129.A OE1 no hydrogen 3.256 N/A LYS 69.A NZ TRP 64.A O no hydrogen 2.566 N/A LYS 69.A NZ ALA 67.A O no hydrogen 2.814 N/A ILE 70.A N LEU 99.A O no hydrogen 2.811 N/A VAL 71.A N GLN 127.A O no hydrogen 2.909 N/A VAL 72.A N ASN 97.A O no hydrogen 2.906 N/A THR 73.A N ILE 125.A O no hydrogen 2.970 N/A THR 73.A OG1 ILE 125.A O no hydrogen 3.258 N/A SER 74.A N ILE 125.A O no hydrogen 3.250 N/A HIS 75.A ND1 SER 161.A OG no hydrogen 2.895 N/A HIS 75.A NE2 THR 149.A OG1 no hydrogen 2.804 N/A TYR 76.A OH SER 161.A O no hydrogen 2.642 N/A GLY 77.A N VAL 93.A O no hydrogen 3.196 N/A THR 79.A N SER 91.A O no hydrogen 2.988 N/A THR 79.A OG1 TYR 113.A OH no hydrogen 2.619 N/A TYR 80.A N TYR 120.A O no hydrogen 2.846 N/A GLU 81.A N GLN 88.A O no hydrogen 2.910 N/A LYS 82.A N SER 87.A OG no hydrogen 3.317 N/A ASP 84.A N LYS 82.A O no hydrogen 2.661 N/A ASP 86.A N ASP 84.A OD1 no hydrogen 2.950 N/A SER 87.A N ASP 84.A O no hydrogen 3.200 N/A SER 87.A OG LYS 82.A O no hydrogen 3.320 N/A SER 87.A OG ASP 84.A O no hydrogen 2.735 N/A GLN 88.A NE2 THR 89.A O no hydrogen 2.958 N/A VAL 90.A N THR 79.A O no hydrogen 2.930 N/A SER 91.A N THR 79.A OG1 no hydrogen 3.343 N/A SER 91.A OG ASP 92.A O no hydrogen 2.731 N/A SER 91.A OG TYR 113.A OH no hydrogen 2.623 N/A VAL 93.A N GLY 77.A O no hydrogen 2.829 N/A VAL 94.A N ASN 97.A OD1 no hydrogen 3.056 N/A ALA 95.A N HIS 75.A O no hydrogen 3.171 N/A GLY 96.A N VAL 72.A O no hydrogen 2.928 N/A ASN 97.A N VAL 94.A O no hydrogen 3.132 N/A ASN 97.A ND2 SER 8.A O no hydrogen 2.835 N/A ARG 98.A N LEU 26.A O no hydrogen 2.972 N/A ARG 98.A NH1 THR 278.A OG1 no hydrogen 2.949 N/A ARG 98.A NH2 ASP 176.A OD1 no hydrogen 2.797 N/A LEU 99.A N ILE 70.A O no hydrogen 3.076 N/A LYS 100.A N SER 112.A O no hydrogen 3.147 N/A TRP 101.A N GLU 68.A O no hydrogen 2.949 N/A TRP 101.A NE1 GLY 103.A O no hydrogen 2.915 N/A GLU 102.A N LYS 110.A O no hydrogen 2.820 N/A LYS 105.A N PHE 108.A O no hydrogen 2.973 N/A PHE 108.A N LYS 105.A O no hydrogen 3.028 N/A TYR 109.A N ILE 121.A O no hydrogen 2.780 N/A LYS 110.A N GLY 103.A O no hydrogen 2.806 N/A LYS 110.A NZ GLN 118.A OE1 no hydrogen 2.906 N/A VAL 111.A N ALA 119.A O no hydrogen 2.810 N/A SER 112.A N LYS 100.A O no hydrogen 2.992 N/A SER 112.A OG GLU 102.A OE2 no hydrogen 2.737 N/A TYR 113.A N ARG 117.A O no hydrogen 2.806 N/A TYR 113.A OH THR 79.A OG1 no hydrogen 2.619 N/A TYR 113.A OH SER 91.A OG no hydrogen 2.623 N/A GLY 116.A N TYR 113.A O no hydrogen 3.019 N/A ARG 117.A N ASP 115.A OD2 no hydrogen 3.126 N/A ARG 117.A NE ASP 115.A OD1 no hydrogen 3.460 N/A ARG 117.A NE ASP 115.A OD2 no hydrogen 2.858 N/A ARG 117.A NH2 ASP 115.A OD1 no hydrogen 2.979 N/A GLN 118.A NE2 GLY 116.A O no hydrogen 3.244 N/A ALA 119.A N VAL 111.A O no hydrogen 2.875 N/A TYR 120.A N TYR 80.A O no hydrogen 2.728 N/A ILE 121.A N TYR 109.A O no hydrogen 2.813 N/A ARG 123.A N HIS 107.A O no hydrogen 3.005 N/A HIS 124.A N SER 122.A OG no hydrogen 3.111 N/A ILE 125.A N SER 122.A O no hydrogen 3.185 N/A SER 126.A OG SER 122.A O no hydrogen 2.690 N/A GLN 127.A N VAL 71.A O no hydrogen 2.964 N/A GLU 129.A N LYS 69.A O no hydrogen 2.790 N/A SER 130.A N GLU 68.A OE2 no hydrogen 3.061 N/A SER 130.A OG GLU 68.A OE2 no hydrogen 2.615 N/A TRP 132.A N PRO 128.A O no hydrogen 2.853 N/A ARG 133.A N GLU 129.A O no hydrogen 2.778 N/A ARG 133.A NE GLU 129.A OE2 no hydrogen 2.862 N/A ARG 133.A NH1 ASP 176.A OD2 no hydrogen 2.541 N/A ARG 133.A NH2 GLU 129.A OE2 no hydrogen 2.736 N/A ARG 133.A NH2 THR 278.A OG1 no hydrogen 2.893 N/A ALA 134.A N SER 130.A O no hydrogen 3.170 N/A SER 135.A N LYS 131.A O no hydrogen 3.349 N/A SER 135.A OG LYS 131.A O no hydrogen 3.418 N/A SER 135.A OG TRP 132.A O no hydrogen 3.341 N/A LEU 136.A N ARG 133.A O no hydrogen 3.377 N/A GLN 138.A NE2 HIS 175.A O no hydrogen 2.909 N/A SER 142.A N ASP 139.A OD1 no hydrogen 2.953 N/A SER 142.A OG ASP 139.A O no hydrogen 2.701 N/A SER 142.A OG ASP 139.A OD1 no hydrogen 3.365 N/A ILE 143.A N ASP 139.A O no hydrogen 3.164 N/A ILE 144.A N ALA 140.A O no hydrogen 2.906 N/A LYS 145.A N GLU 141.A O no hydrogen 3.001 N/A THR 146.A N SER 142.A O no hydrogen 3.197 N/A THR 146.A OG1 SER 142.A O no hydrogen 3.409 N/A THR 146.A OG1 HIS 175.A NE2 no hydrogen 2.580 N/A ALA 147.A N ILE 143.A O no hydrogen 2.950 N/A TYR 148.A N ILE 144.A O no hydrogen 2.884 N/A THR 149.A N THR 146.A O no hydrogen 2.936 N/A THR 149.A OG1 HIS 75.A NE2 no hydrogen 2.804 N/A THR 149.A OG1 THR 146.A O no hydrogen 2.663 N/A GLY 151.A N VAL 241.A O no hydrogen 2.751 N/A TYR 154.A N GLY 239.A O no hydrogen 3.006 N/A LEU 155.A N VAL 164.A O no hydrogen 2.907 N/A ALA 157.A N ASP 165.A OD2 no hydrogen 2.905 N/A GLY 158.A N LEU 155.A O no hydrogen 2.837 N/A THR 159.A N GLN 23.A OE1 no hydrogen 2.843 N/A THR 159.A OG1 THR 22.A OG1 no hydrogen 3.422 N/A THR 159.A OG1 ALA 157.A O no hydrogen 2.867 N/A SER 161.A OG HIS 75.A ND1 no hydrogen 2.895 N/A LYS 162.A N SER 160.A OG no hydrogen 3.109 N/A LYS 162.A NZ ASP 92.A OD2 no hydrogen 2.796 N/A GLY 163.A N SER 160.A O no hydrogen 3.202 N/A VAL 164.A N PRO 153.A O no hydrogen 3.121 N/A ASP 165.A N GLY 158.A O no hydrogen 3.266 N/A SER 166.A OG ASP 165.A OD1 no hydrogen 3.550 N/A SER 166.A OG ARG 181.A O no hydrogen 3.263 N/A GLY 167.A N ASP 165.A OD1 no hydrogen 2.837 N/A LEU 168.A N ASP 165.A O no hydrogen 2.931 N/A ARG 170.A N SER 166.A O no hydrogen 2.981 N/A ARG 170.A NH1 ASP 44.A OD2 no hydrogen 2.657 N/A ARG 170.A NH2 ASP 44.A OD2 no hydrogen 3.417 N/A THR 171.A N GLY 167.A O no hydrogen 2.848 N/A THR 171.A OG1 GLY 167.A O no hydrogen 2.822 N/A VAL 172.A N LEU 168.A O no hydrogen 3.071 N/A LEU 173.A N VAL 169.A O no hydrogen 2.987 N/A PHE 174.A N ARG 170.A O no hydrogen 2.858 N/A HIS 175.A ND1 LYS 137.A O no hydrogen 2.777 N/A HIS 175.A NE2 THR 146.A OG1 no hydrogen 2.580 N/A ASP 176.A N PHE 174.A O no hydrogen 3.027 N/A ILE 177.A N LEU 173.A O no hydrogen 2.957 N/A ILE 178.A N ASN 276.A O no hydrogen 2.814 N/A ARG 181.A NE THR 22.A OG1 no hydrogen 3.050 N/A ARG 181.A NE THR 159.A OG1 no hydrogen 3.134 N/A ARG 181.A NH1 ASP 165.A OD1 no hydrogen 3.402 N/A ARG 181.A NH1 SER 166.A OG no hydrogen 2.849 N/A ARG 181.A NH1 ARG 181.A O no hydrogen 2.925 N/A ARG 181.A NH2 THR 159.A OG1 no hydrogen 2.944 N/A ARG 181.A NH2 ASP 165.A OD1 no hydrogen 2.880 N/A ARG 181.A NH2 ASP 165.A OD2 no hydrogen 3.434 N/A GLN 185.A N ASP 182.A O no hydrogen 3.036 N/A GLN 186.A N ASP 182.A O no hydrogen 2.956 N/A GLN 186.A NE2 SER 166.A O no hydrogen 3.363 N/A GLN 186.A NE2 PRO 180.A O no hydrogen 2.959 N/A ALA 187.A N ALA 183.A O no hydrogen 3.136 N/A TYR 188.A N GLN 185.A O no hydrogen 3.260 N/A TYR 188.A OH GLU 220.A OE2 no hydrogen 2.631 N/A GLY 190.A N GLU 273.A OE1 no hydrogen 2.965 N/A GLY 190.A N GLU 273.A OE2 no hydrogen 3.249 N/A GLU 191.A N ARG 265.A O no hydrogen 2.937 N/A ARG 192.A NE GLU 194.A OE2 no hydrogen 2.748 N/A ARG 192.A NH1 GLU 220.A OE2 no hydrogen 2.958 N/A ARG 192.A NH2 GLU 220.A OE1 no hydrogen 2.917 N/A ILE 193.A N ALA 263.A O no hydrogen 2.733 N/A ALA 196.A N ASN 201.A OD1 no hydrogen 2.847 N/A PHE 199.A N ALA 196.A O no hydrogen 2.754 N/A SER 200.A N ASP 198.A OD1 no hydrogen 3.314 N/A SER 200.A OG ASP 198.A OD1 no hydrogen 2.660 N/A SER 200.A OG ASP 198.A OD2 no hydrogen 3.470 N/A ASN 201.A ND2 GLU 194.A O no hydrogen 2.789 N/A VAL 202.A N PHE 199.A O no hydrogen 2.964 N/A GLN 203.A N ASP 206.A OD2 no hydrogen 2.901 N/A ARG 204.A NE GLU 141.A OE2 no hydrogen 2.721 N/A ARG 204.A NH1 LEU 229.A O no hydrogen 2.707 N/A ARG 204.A NH2 GLU 141.A OE1 no hydrogen 2.675 N/A ARG 204.A NH2 GLU 141.A OE2 no hydrogen 3.452 N/A GLY 205.A N TYR 228.A O no hydrogen 2.907 N/A ASP 206.A N GLN 203.A O no hydrogen 3.022 N/A LEU 207.A N THR 264.A O no hydrogen 2.906 N/A VAL 208.A N GLY 226.A O no hydrogen 2.861 N/A PHE 209.A N PHE 262.A O no hydrogen 2.916 N/A PHE 210.A N HIS 224.A O no hydrogen 2.997 N/A GLY 211.A N ARG 259.A O no hydrogen 3.021 N/A ARG 212.A N GLY 221.A O no hydrogen 2.972 N/A ARG 212.A NE LYS 219.A O no hydrogen 3.374 N/A ARG 212.A NH2 LYS 219.A O no hydrogen 2.938 N/A THR 215.A N ARG 218.A O no hydrogen 2.802 N/A THR 215.A OG1 ARG 218.A O no hydrogen 3.119 N/A ARG 218.A N THR 215.A OG1 no hydrogen 2.928 N/A GLY 221.A N ARG 212.A O no hydrogen 2.913 N/A SER 223.A N PHE 210.A O no hydrogen 2.872 N/A SER 223.A OG.A PHE 210.A O no hydrogen 3.461 N/A HIS 224.A N PHE 210.A O no hydrogen 3.213 N/A HIS 224.A NE2 HIS 236.A ND1 no hydrogen 2.800 N/A GLY 226.A N VAL 208.A O no hydrogen 2.970 N/A ILE 227.A N ILE 235.A O no hydrogen 2.938 N/A TYR 228.A N ASP 206.A O no hydrogen 2.766 N/A LEU 229.A N ARG 233.A O no hydrogen 2.943 N/A LYS 232.A N TYR 228.A OH no hydrogen 2.879 N/A ARG 233.A N GLY 230.A O no hydrogen 3.105 N/A ARG 233.A NE ASP 250.A OD2 no hydrogen 3.436 N/A ARG 233.A NH2 ASP 250.A OD1 no hydrogen 3.414 N/A PHE 234.A N SER 244.A O no hydrogen 2.844 N/A ILE 235.A N ILE 227.A O no hydrogen 2.964 N/A HIS 236.A N HIS 242.A O no hydrogen 3.031 N/A HIS 236.A ND1 HIS 224.A NE2 no hydrogen 2.800 N/A HIS 236.A NE2 SER 244.A OG no hydrogen 2.701 N/A LEU 238.A N ASP 240.A O no hydrogen 3.050 N/A VAL 241.A N ILE 152.A O no hydrogen 2.811 N/A HIS 242.A N HIS 236.A O no hydrogen 2.938 N/A HIS 242.A ND1 ASP 240.A O no hydrogen 3.114 N/A SER 244.A N PHE 234.A O no hydrogen 2.829 N/A SER 244.A OG HIS 236.A NE2 no hydrogen 2.701 N/A SER 245.A OG LYS 232.A O no hydrogen 3.346 N/A SER 245.A OG ASP 247.A O no hydrogen 3.518 N/A SER 245.A OG ASP 250.A OD2 no hydrogen 2.619 N/A PHE 246.A N LYS 232.A O no hydrogen 2.814 N/A ASP 247.A N SER 245.A OG no hydrogen 2.866 N/A GLU 249.A N ASP 247.A OD1 no hydrogen 2.893 N/A ASP 250.A N ASP 247.A O no hydrogen 3.034 N/A ASP 253.A N SER 245.A O no hydrogen 3.018 N/A ASN 256.A N ASP 253.A OD1 no hydrogen 3.034 N/A ASN 256.A ND2 ASP 253.A OD1 no hydrogen 3.368 N/A ASN 256.A ND2 ASP 253.A OD2 no hydrogen 2.809 N/A THR 257.A N ASP 253.A O no hydrogen 2.927 N/A THR 257.A OG1 ASP 253.A O no hydrogen 2.639 N/A GLY 258.A N GLU 254.A O no hydrogen 3.161 N/A ARG 259.A N ASN 256.A O no hydrogen 2.974 N/A ARG 259.A NH2 SER 223.A OG.A no hydrogen 3.075 N/A ARG 259.A NH2 SER 223.A OG.B no hydrogen 3.064 N/A LEU 260.A N THR 257.A O no hydrogen 3.399 N/A LEU 261.A N PHE 209.A O no hydrogen 2.794 N/A ALA 263.A N ILE 193.A O no hydrogen 3.072 N/A THR 264.A N LEU 207.A O no hydrogen 2.945 N/A ARG 265.A N GLU 191.A O no hydrogen 2.841 N/A ARG 265.A NE ASP 206.A OD1 no hydrogen 2.896 N/A ARG 265.A NE ASP 206.A OD2 no hydrogen 3.368 N/A ARG 265.A NH2 ASN 201.A O no hydrogen 2.889 N/A ARG 265.A NH2 ASP 206.A OD2 no hydrogen 2.729 N/A TYR 269.A N PHE 266.A O no hydrogen 2.989 N/A TYR 269.A OH GLU 191.A OE1 no hydrogen 3.403 N/A ASN 271.A ND2 THR 277.A OG1 no hydrogen 2.862 N/A LYS 272.A N TYR 269.A O no hydrogen 3.095 N/A LYS 272.A NZ PRO 268.A O no hydrogen 3.027 N/A LYS 272.A NZ ILE 270.A O no hydrogen 3.194 N/A THR 277.A N ASN 271.A OD1 no hydrogen 3.063 N/A THR 277.A OG1 ASP 279.A OD1 no hydrogen 3.017 N/A THR 278.A N ASP 176.A O no hydrogen 3.150 N/A THR 278.A OG1 ASP 176.A OD1 no hydrogen 2.551 N/A THR 278.A OG1 ASP 176.A OD2 no hydrogen 3.396 N/A HIS 280.A N THR 277.A O no hydrogen 2.924 N/A HIS 280.A ND1 ASP 279.A OD1 no hydrogen 2.862 N/A ASN 281.A N THR 278.A O no hydrogen 3.298 N/A ASN 281.A ND2 PRO 43.A O no hydrogen 2.957 N/A ASN 281.A ND2 ASN 276.A OD1 no hydrogen 2.921 N/A TYR 283.A N ASN 281.A OD1 no hydrogen 2.894 N/A TYR 283.A OH ASP 45.A OD1 no hydrogen 2.570 N/A TYR 284.A N ASN 281.A O no hydrogen 3.009 N/A LEU 285.A N LEU 282.A O no hydrogen 3.277 N/A HIS 286.A ND1 ASP 62.A OD2 no hydrogen 2.867 N/A HIS 287.A ND1 LEU 285.A O no hydrogen 3.153 N/A