Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wpq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N ASP 8.A OD2 no hydrogen 2.875 N/A ASP 8.A N MET 5.A O no hydrogen 2.906 N/A PHE 9.A N LEU 6.A O no hydrogen 3.012 N/A VAL 10.A N ALA 7.A O no hydrogen 3.411 N/A SER 11.A OG THR 13.A OG1 no hydrogen 2.699 N/A THR 13.A N SER 11.A OG no hydrogen 3.359 N/A THR 13.A OG1 SER 11.A OG no hydrogen 2.699 N/A MET 16.A N ASP 126.A OD2 no hydrogen 2.854 N/A ILE 17.A N PRO 15.A O no hydrogen 3.048 N/A VAL 21.A N PRO 18.A O no hydrogen 3.051 N/A VAL 22.A N PRO 18.A O no hydrogen 3.235 N/A HIS 23.A N SER 19.A O no hydrogen 2.870 N/A CYS 24.A N ILE 20.A O no hydrogen 3.054 N/A CYS 24.A SG ILE 20.A O no hydrogen 3.232 N/A VAL 25.A N VAL 21.A O no hydrogen 2.982 N/A ASN 26.A N VAL 22.A O no hydrogen 2.874 N/A GLU 27.A N HIS 23.A O no hydrogen 3.124 N/A ILE 28.A N CYS 24.A O no hydrogen 2.897 N/A GLU 29.A N VAL 25.A O no hydrogen 2.827 N/A GLN 30.A N ASN 26.A O no hydrogen 3.136 N/A ARG 31.A N GLU 27.A O no hydrogen 3.139 N/A ARG 31.A NE GLU 27.A OE2 no hydrogen 2.776 N/A ARG 31.A NH1 VAL 67.A O no hydrogen 3.004 N/A ARG 31.A NH1 ASP 68.A O no hydrogen 3.252 N/A ARG 31.A NH2 GLU 27.A OE2 no hydrogen 3.180 N/A ARG 31.A NH2 LEU 64.A O no hydrogen 2.864 N/A ARG 31.A NH2 VAL 67.A O no hydrogen 2.665 N/A GLY 32.A N ILE 28.A O no hydrogen 2.701 N/A THR 34.A OG1 GLU 35.A OE2 no hydrogen 3.120 N/A GLU 35.A N GLY 32.A O no hydrogen 2.920 N/A THR 36.A OG1 HIS 143.A O no hydrogen 3.455 N/A GLY 37.A N THR 144.A O no hydrogen 2.818 N/A TYR 39.A OH HIS 134.A NE2 no hydrogen 2.707 N/A ARG 40.A N GLY 37.A O no hydrogen 2.841 N/A ILE 41.A N GLY 37.A O no hydrogen 2.932 N/A GLY 43.A N SER 75.A OG no hydrogen 2.908 N/A VAL 48.A N CYS 44.A O no hydrogen 3.064 N/A LYS 49.A N ASP 45.A O no hydrogen 2.865 N/A GLU 50.A N ARG 46.A O no hydrogen 3.102 N/A LEU 51.A N THR 47.A O no hydrogen 2.973 N/A LYS 52.A N VAL 48.A O no hydrogen 2.880 N/A LYS 52.A NZ ASP 79.A OD1 no hydrogen 3.018 N/A GLU 53.A N LYS 49.A O no hydrogen 2.983 N/A LYS 54.A N GLU 50.A O no hydrogen 3.181 N/A PHE 55.A N LEU 51.A O no hydrogen 3.027 N/A LEU 56.A N LYS 52.A O no hydrogen 2.921 N/A ARG 57.A N GLU 53.A O no hydrogen 2.861 N/A VAL 58.A N GLU 53.A O no hydrogen 2.880 N/A THR 60.A N LYS 54.A O no hydrogen 2.862 N/A LYS 66.A N LEU 63.A O no hydrogen 3.164 N/A VAL 67.A N LEU 64.A O no hydrogen 3.097 N/A HIS 71.A N ASP 69.A OD1 no hydrogen 3.028 N/A ALA 72.A N ASP 69.A O no hydrogen 2.990 N/A ILE 73.A N ILE 70.A O no hydrogen 2.958 N/A CYS 74.A N ILE 70.A O no hydrogen 3.249 N/A CYS 74.A SG ILE 70.A O no hydrogen 3.844 N/A SER 75.A N HIS 71.A O no hydrogen 2.913 N/A SER 75.A OG HIS 71.A O no hydrogen 3.223 N/A LEU 76.A N ALA 72.A O no hydrogen 2.898 N/A LEU 77.A N ILE 73.A O no hydrogen 2.992 N/A LYS 78.A N CYS 74.A O no hydrogen 3.014 N/A LYS 78.A NZ TYR 39.A O no hydrogen 3.056 N/A ASP 79.A N SER 75.A O no hydrogen 2.844 N/A PHE 80.A N LEU 76.A O no hydrogen 2.869 N/A LEU 81.A N LEU 77.A O no hydrogen 3.127 N/A ARG 82.A N LYS 78.A O no hydrogen 2.798 N/A ASN 83.A N ASP 79.A O no hydrogen 3.059 N/A ASN 83.A ND2 ASP 79.A O no hydrogen 3.073 N/A ASN 83.A ND2 ASP 79.A OD1 no hydrogen 3.171 N/A LEU 84.A N LEU 81.A O no hydrogen 3.349 N/A LYS 85.A N GLY 4.A O no hydrogen 2.746 N/A LEU 89.A N ILE 159.A O no hydrogen 3.169 N/A THR 90.A N PRO 87.A O no hydrogen 2.721 N/A THR 90.A OG1 LEU 89.A O no hydrogen 2.451 N/A PHE 91.A N GLU 86.A OE1 no hydrogen 3.120 N/A ARG 92.A NH1 GLU 119.A O no hydrogen 3.217 N/A ARG 92.A NH2 GLU 119.A OE1 no hydrogen 3.289 N/A LEU 93.A N THR 90.A OG1 no hydrogen 3.176 N/A ASN 94.A N PHE 91.A O no hydrogen 3.220 N/A PHE 97.A N LEU 93.A O no hydrogen 2.901 N/A MET 98.A N ASN 94.A O no hydrogen 3.212 N/A GLU 99.A N ARG 95.A O no hydrogen 2.833 N/A ALA 100.A N ALA 96.A O no hydrogen 2.864 N/A ALA 101.A N PHE 97.A O no hydrogen 3.012 N/A GLU 102.A N MET 98.A O no hydrogen 3.090 N/A GLU 102.A N GLU 99.A O no hydrogen 3.139 N/A ILE 103.A N ALA 100.A O no hydrogen 3.300 N/A ASN 108.A N ASP 105.A OD2 no hydrogen 2.875 N/A SER 109.A N ASP 105.A O no hydrogen 2.841 N/A SER 109.A OG ALA 100.A O no hydrogen 2.700 N/A ILE 110.A N GLU 106.A O no hydrogen 2.862 N/A ALA 111.A N ASP 107.A O no hydrogen 3.016 N/A ALA 112.A N ASN 108.A O no hydrogen 3.047 N/A MET 113.A N SER 109.A O no hydrogen 2.880 N/A TYR 114.A N ILE 110.A O no hydrogen 2.944 N/A GLN 115.A N ALA 111.A O no hydrogen 3.058 N/A ALA 116.A N ALA 112.A O no hydrogen 3.062 N/A VAL 117.A N MET 113.A O no hydrogen 2.999 N/A GLY 118.A N TYR 114.A O no hydrogen 2.955 N/A GLU 119.A N ALA 116.A O no hydrogen 2.892 N/A LEU 120.A N VAL 117.A O no hydrogen 3.093 N/A GLN 122.A NE2 SER 14.A OG no hydrogen 2.777 N/A GLN 122.A NE2 ASP 126.A OD2 no hydrogen 3.032 N/A ARG 125.A N PRO 121.A O no hydrogen 2.996 N/A ARG 125.A NE ASP 126.A OD1 no hydrogen 3.049 N/A ARG 125.A NH2 ASP 126.A OD1 no hydrogen 2.941 N/A ASP 126.A N GLN 122.A O no hydrogen 2.799 N/A THR 127.A N ALA 123.A O no hydrogen 2.930 N/A THR 127.A OG1 MET 16.A O no hydrogen 3.226 N/A THR 127.A OG1 ALA 123.A O no hydrogen 2.816 N/A LEU 128.A N ASN 124.A O no hydrogen 2.877 N/A ALA 129.A N ARG 125.A O no hydrogen 2.885 N/A PHE 130.A N ASP 126.A O no hydrogen 3.034 N/A LEU 131.A N THR 127.A O no hydrogen 2.939 N/A MET 132.A N LEU 128.A O no hydrogen 2.804 N/A ILE 133.A N ALA 129.A O no hydrogen 3.068 N/A HIS 134.A N PHE 130.A O no hydrogen 3.142 N/A HIS 134.A ND1 GLU 29.A OE2 no hydrogen 2.761 N/A HIS 134.A NE2 TYR 39.A OH no hydrogen 2.707 N/A LEU 135.A N LEU 131.A O no hydrogen 2.823 N/A GLN 136.A N MET 132.A O no hydrogen 2.906 N/A GLN 136.A NE2 LEU 187.A O no hydrogen 2.896 N/A GLN 136.A NE2 LEU 189.A O no hydrogen 3.110 N/A ARG 137.A N ILE 133.A O no hydrogen 3.399 N/A ARG 137.A NH1 GLU 29.A OE2 no hydrogen 2.944 N/A VAL 138.A N HIS 134.A O no hydrogen 3.137 N/A ALA 139.A N LEU 135.A O no hydrogen 2.939 N/A GLN 140.A N GLN 136.A O no hydrogen 2.770 N/A SER 141.A N ARG 137.A O no hydrogen 2.983 N/A SER 141.A OG LEU 33.A O no hydrogen 2.509 N/A HIS 143.A N SER 141.A OG no hydrogen 3.282 N/A THR 144.A OG1 VAL 138.A O no hydrogen 2.829 N/A THR 144.A OG1 SER 141.A O no hydrogen 3.284 N/A ASN 150.A N ASP 147.A OD1 no hydrogen 2.758 N/A LEU 151.A N ASP 147.A O no hydrogen 2.949 N/A ALA 152.A N VAL 148.A O no hydrogen 2.850 N/A LYS 153.A N ALA 149.A O no hydrogen 3.166 N/A VAL 154.A N ASN 150.A O no hydrogen 3.082 N/A PHE 155.A N LEU 151.A O no hydrogen 2.877 N/A GLY 156.A N ALA 152.A O no hydrogen 2.860 N/A THR 158.A OG1 VAL 154.A O no hydrogen 2.931 N/A ILE 159.A N PHE 155.A O no hydrogen 2.834 N/A VAL 160.A N GLY 156.A O no hydrogen 3.023 N/A ALA 161.A N GLY 156.A O no hydrogen 3.128 N/A HIS 162.A ND1 ASP 175.A OD2 no hydrogen 2.742 N/A THR 171.A N ASP 168.A OD1 no hydrogen 2.853 N/A THR 171.A OG1 ASP 168.A OD1 no hydrogen 3.237 N/A THR 171.A OG1 ASP 168.A OD2 no hydrogen 2.572 N/A MET 172.A N ASP 168.A O no hydrogen 2.938 N/A SER 173.A N PRO 169.A O no hydrogen 3.199 N/A SER 173.A OG VAL 170.A O no hydrogen 2.619 N/A GLN 174.A N VAL 170.A O no hydrogen 3.013 N/A ASP 175.A N THR 171.A O no hydrogen 2.804 N/A ILE 176.A N MET 172.A O no hydrogen 2.987 N/A LYS 177.A N SER 173.A O no hydrogen 3.281 N/A LYS 177.A N GLN 174.A O no hydrogen 3.286 N/A ARG 178.A N ASP 175.A O no hydrogen 2.922 N/A ARG 178.A NE GLU 102.A OE1 no hydrogen 3.453 N/A ARG 178.A NE GLU 102.A OE2 no hydrogen 2.672 N/A ARG 178.A NH2 GLU 102.A OE1 no hydrogen 2.974 N/A ARG 178.A NH2 GLU 102.A OE2 no hydrogen 3.495 N/A GLN 179.A N ASP 175.A O no hydrogen 3.028 N/A GLN 179.A NE2 ALA 161.A O no hydrogen 2.848 N/A VAL 182.A N GLN 179.A O no hydrogen 2.956 N/A VAL 183.A N GLN 179.A O no hydrogen 3.367 N/A GLU 184.A N PRO 180.A O no hydrogen 2.868 N/A ARG 185.A N LYS 181.A O no hydrogen 3.000 N/A LEU 186.A N VAL 182.A O no hydrogen 3.065 N/A LEU 187.A N VAL 183.A O no hydrogen 2.858 N/A SER 188.A N GLU 184.A O no hydrogen 3.121 N/A SER 188.A N ARG 185.A O no hydrogen 3.114 N/A SER 188.A OG GLU 184.A O no hydrogen 2.855 N/A LEU 189.A N LEU 186.A O no hydrogen 3.343 N/A TYR 193.A N PRO 190.A O no hydrogen 2.942 N/A TRP 194.A N PRO 190.A O no hydrogen 3.229 N/A TRP 194.A NE1 LEU 186.A O no hydrogen 2.953 N/A SER 195.A N.A LEU 191.A O no hydrogen 2.849 N/A SER 195.A N.B LEU 191.A O no hydrogen 2.855 N/A SER 195.A OG.A LEU 191.A O no hydrogen 2.709 N/A SER 195.A OG.B LEU 191.A O no hydrogen 3.034 N/A SER 195.A OG.B GLU 192.A O no hydrogen 3.121 N/A GLN 196.A N GLU 192.A O no hydrogen 3.352 N/A GLN 196.A NE2 TYR 193.A O no hydrogen 2.783 N/A PHE 197.A N TRP 194.A O no hydrogen 3.269 N/A MET 198.A N SER 195.A O.A no hydrogen 2.910 N/A MET 198.A N SER 195.A O.B no hydrogen 2.935 N/A MET 199.A N SER 195.A O.A no hydrogen 3.345 N/A MET 199.A N SER 195.A O.B no hydrogen 3.339 N/A