Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2vke_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N LEU 33.A O no hydrogen 2.745 N/A SER 1.A OG LEU 33.A O no hydrogen 3.322 N/A SER 7.A N ASN 4.A OD1 no hydrogen 2.997 N/A SER 7.A OG ASN 4.A OD1 no hydrogen 2.577 N/A VAL 8.A N ASN 4.A O no hydrogen 2.954 N/A ILE 9.A N ARG 5.A O no hydrogen 2.965 N/A ASP 10.A N GLU 6.A O no hydrogen 2.866 N/A ALA 11.A N SER 7.A O no hydrogen 2.983 N/A ALA 12.A N VAL 8.A O no hydrogen 2.983 N/A LEU 13.A N ILE 9.A O no hydrogen 2.815 N/A GLU 14.A N ASP 10.A O no hydrogen 3.007 N/A LEU 15.A N ALA 11.A O no hydrogen 2.871 N/A LEU 16.A N ALA 12.A O no hydrogen 2.724 N/A ASN 17.A N LEU 13.A O no hydrogen 3.014 N/A GLU 18.A N GLU 14.A O no hydrogen 2.950 N/A THR 19.A N LEU 15.A O no hydrogen 2.796 N/A THR 19.A OG1 LEU 15.A O no hydrogen 2.884 N/A THR 19.A OG1 GLY 20.A O no hydrogen 3.450 N/A GLY 20.A N LEU 16.A O no hydrogen 2.604 N/A ILE 21.A N ASP 94.A OD2 no hydrogen 2.807 N/A GLY 23.A N GLY 20.A O no hydrogen 2.974 N/A LYS 28.A N THR 25.A OG1 no hydrogen 3.078 N/A LEU 29.A N THR 25.A O no hydrogen 2.875 N/A ALA 30.A N THR 26.A O no hydrogen 2.855 N/A GLN 31.A N ARG 27.A O no hydrogen 3.226 N/A LYS 32.A N LYS 28.A O no hydrogen 3.038 N/A LYS 32.A NZ GLU 14.A OE2 no hydrogen 2.768 N/A LYS 32.A NZ GLU 18.A OE1 no hydrogen 3.237 N/A LYS 32.A NZ GLU 18.A OE2 no hydrogen 2.931 N/A LEU 33.A N LEU 29.A O no hydrogen 2.990 N/A GLY 34.A N GLN 31.A O no hydrogen 3.091 N/A ILE 35.A N ALA 30.A O no hydrogen 3.060 N/A LEU 40.A N GLU 36.A O no hydrogen 3.249 N/A TYR 41.A N GLN 37.A O no hydrogen 2.951 N/A TRP 42.A N PRO 38.A O no hydrogen 3.351 N/A HIS 43.A N LEU 40.A O no hydrogen 2.853 N/A VAL 44.A N LEU 40.A O no hydrogen 2.800 N/A LYS 45.A NZ TYR 41.A O no hydrogen 2.713 N/A LYS 47.A NZ ILE 21.A O no hydrogen 2.748 N/A ALA 49.A N ASN 46.A OD1 no hydrogen 2.927 N/A LEU 50.A N ASN 46.A O no hydrogen 3.423 N/A LEU 51.A N LYS 47.A O no hydrogen 2.866 N/A ASP 52.A N ARG 48.A O no hydrogen 3.057 N/A ALA 53.A N ALA 49.A O no hydrogen 3.235 N/A LEU 54.A N LEU 50.A O no hydrogen 2.844 N/A ALA 55.A N LEU 51.A O no hydrogen 2.921 N/A VAL 56.A N ASP 52.A O no hydrogen 3.369 N/A GLU 57.A N ALA 53.A O no hydrogen 2.949 N/A ILE 58.A N LEU 54.A O no hydrogen 2.858 N/A ALA 60.A N VAL 56.A O no hydrogen 3.033 N/A ARG 61.A N GLU 57.A O no hydrogen 2.906 N/A ARG 61.A NE GLU 57.A OE1 no hydrogen 2.332 N/A ARG 61.A NH2 ASP 10.A OD2 no hydrogen 2.452 N/A HIS 62.A N ILE 58.A O no hydrogen 3.158 N/A HIS 63.A N LEU 59.A O no hydrogen 2.998 N/A HIS 63.A ND1 SER 84.A OG no hydrogen 2.639 N/A TYR 65.A N SER 84.A OG no hydrogen 3.010 N/A TYR 65.A OH GLU 72.A OE1 no hydrogen 2.461 N/A SER 66.A OG.A HIS 63.A O no hydrogen 3.467 N/A ALA 69.A N GLU 72.A OE1 no hydrogen 2.695 N/A GLU 72.A N ALA 69.A O no hydrogen 2.835 N/A GLN 75.A N GLN 75.A OE1 no hydrogen 2.822 N/A GLN 75.A NE2 GLU 190.A OE1 no hydrogen 3.050 N/A SER 76.A N SER 73.A OG no hydrogen 3.048 N/A SER 76.A OG GLU 72.A OE2 no hydrogen 2.665 N/A PHE 77.A N SER 73.A O no hydrogen 2.911 N/A LEU 78.A N TRP 74.A O no hydrogen 3.009 N/A ARG 79.A N GLN 75.A O no hydrogen 3.078 N/A ARG 79.A NE GLU 183.A OE2 no hydrogen 2.664 N/A ARG 79.A NH2 GLU 183.A OE1 no hydrogen 3.037 N/A ARG 79.A NH2 GLU 183.A OE2 no hydrogen 3.496 N/A ASN 80.A N SER 76.A O no hydrogen 2.881 N/A ASN 80.A ND2 GLU 72.A OE2 no hydrogen 2.783 N/A ASN 81.A N PHE 77.A O no hydrogen 2.669 N/A ASN 81.A ND2 TYR 65.A O no hydrogen 3.068 N/A ALA 82.A N LEU 78.A O no hydrogen 2.907 N/A MET 83.A N ARG 79.A O no hydrogen 3.060 N/A SER 84.A N ASN 80.A O no hydrogen 3.006 N/A SER 84.A OG HIS 63.A ND1 no hydrogen 2.639 N/A SER 84.A OG ASP 64.A OD2 no hydrogen 3.215 N/A PHE 85.A N ASN 81.A O no hydrogen 2.874 N/A ARG 86.A N ALA 82.A O no hydrogen 2.878 N/A ARG 86.A NH2 GLN 147.A OE1 no hydrogen 3.376 N/A ARG 87.A N MET 83.A O no hydrogen 2.995 N/A ARG 87.A NH2 ASP 64.A OD2 no hydrogen 2.665 N/A ALA 88.A N SER 84.A O no hydrogen 2.973 N/A LEU 89.A N PHE 85.A O no hydrogen 2.909 N/A LEU 90.A N ARG 86.A O no hydrogen 3.013 N/A ARG 91.A N ALA 88.A O no hydrogen 3.402 N/A ARG 93.A N ASN 17.A OD1 no hydrogen 3.034 N/A GLY 95.A N TYR 92.A O no hydrogen 3.090 N/A VAL 98.A N ASP 94.A O no hydrogen 2.962 N/A HIS 99.A N GLY 95.A O no hydrogen 3.093 N/A LEU 100.A N ALA 96.A O no hydrogen 3.168 N/A LEU 100.A N LYS 97.A O no hydrogen 3.195 N/A THR 102.A N HIS 99.A O no hydrogen 2.990 N/A THR 102.A OG1 HIS 99.A O no hydrogen 2.595 N/A ASP 105.A N GLN 108.A OE1 no hydrogen 2.888 N/A LYS 107.A N ASP 105.A OD2 no hydrogen 2.803 N/A GLN 108.A N ASP 105.A O no hydrogen 2.729 N/A TYR 109.A N GLU 106.A O no hydrogen 3.094 N/A VAL 112.A N GLN 108.A O no hydrogen 2.960 N/A GLU 113.A N TYR 109.A O no hydrogen 2.899 N/A THR 114.A N ASP 110.A O no hydrogen 3.053 N/A THR 114.A OG1 ASP 110.A O no hydrogen 2.965 N/A GLN 115.A N THR 111.A O no hydrogen 2.978 N/A GLN 115.A NE2 SER 66.A O.A no hydrogen 2.738 N/A GLN 115.A NE2 SER 66.A O.B no hydrogen 2.759 N/A LEU 116.A N VAL 112.A O no hydrogen 2.973 N/A ARG 117.A N.A GLU 113.A O no hydrogen 2.902 N/A ARG 117.A N.B GLU 113.A O no hydrogen 2.873 N/A ARG 117.A NH2.B THR 114.A OG1 no hydrogen 3.129 N/A PHE 118.A N THR 114.A O no hydrogen 2.862 N/A MET 119.A N GLN 115.A O no hydrogen 3.234 N/A THR 120.A N LEU 116.A O no hydrogen 3.201 N/A THR 120.A OG1 ARG 117.A O.A no hydrogen 2.776 N/A THR 120.A OG1 ARG 117.A O.B no hydrogen 2.749 N/A GLU 121.A N ARG 117.A O.A no hydrogen 2.921 N/A GLU 121.A N ARG 117.A O.B no hydrogen 2.992 N/A ASN 122.A N PHE 118.A O no hydrogen 3.173 N/A ASN 122.A N MET 119.A O no hydrogen 3.114 N/A ASN 122.A ND2 PHE 118.A O no hydrogen 2.944 N/A GLY 123.A N THR 120.A O no hydrogen 3.221 N/A PHE 124.A N MET 119.A O no hydrogen 3.253 N/A ARG 127.A NH1 TYR 131.A OH no hydrogen 3.101 N/A ASP 128.A N SER 125.A OG no hydrogen 3.074 N/A GLY 129.A N SER 125.A O no hydrogen 2.828 N/A LEU 130.A N LEU 126.A O no hydrogen 2.789 N/A TYR 131.A N ARG 127.A O no hydrogen 2.822 N/A ALA 132.A N ASP 128.A O no hydrogen 2.961 N/A ILE 133.A N GLY 129.A O no hydrogen 2.899 N/A SER 134.A N LEU 130.A O no hydrogen 2.735 N/A SER 134.A OG LEU 130.A O no hydrogen 3.249 N/A ALA 135.A N TYR 131.A O no hydrogen 2.928 N/A VAL 136.A N ALA 132.A O no hydrogen 3.025 N/A SER 137.A N ILE 133.A O no hydrogen 3.041 N/A SER 137.A OG ILE 133.A O no hydrogen 2.965 N/A HIS 138.A N SER 134.A O no hydrogen 2.763 N/A PHE 139.A N ALA 135.A O no hydrogen 2.858 N/A THR 140.A N VAL 136.A O no hydrogen 3.029 N/A THR 140.A OG1 VAL 136.A O no hydrogen 2.734 N/A LEU 141.A N SER 137.A O no hydrogen 2.876 N/A GLY 142.A N HIS 138.A O no hydrogen 2.858 N/A ALA 143.A N PHE 139.A O no hydrogen 2.988 N/A VAL 144.A N THR 140.A O no hydrogen 3.008 N/A LEU 145.A N LEU 141.A O no hydrogen 2.824 N/A GLU 146.A N GLY 142.A O no hydrogen 2.970 N/A GLN 147.A N ALA 143.A O no hydrogen 2.994 N/A GLN 148.A N VAL 144.A O no hydrogen 2.834 N/A GLN 148.A NE2 LEU 89.A O no hydrogen 3.083 N/A GLN 148.A NE2 TYR 92.A O no hydrogen 3.202 N/A GLU 149.A N LEU 145.A O no hydrogen 2.923 N/A HIS 150.A N GLU 146.A O no hydrogen 3.026 N/A THR 151.A N GLN 147.A O no hydrogen 3.238 N/A THR 151.A OG1 GLN 147.A O no hydrogen 3.015 N/A ALA 152.A N GLN 148.A O no hydrogen 3.094 N/A ALA 153.A N GLU 149.A O no hydrogen 2.789 N/A LEU 154.A N HIS 150.A O no hydrogen 3.161 N/A ARG 163.A N PRO 159.A O no hydrogen 3.028 N/A ARG 163.A NH1 LEU 158.A O no hydrogen 2.918 N/A GLU 164.A N PRO 160.A O no hydrogen 3.044 N/A ALA 165.A N LEU 161.A O no hydrogen 2.852 N/A LEU 166.A N LEU 162.A O no hydrogen 2.885 N/A GLN 167.A N ARG 163.A O no hydrogen 3.120 N/A ILE 168.A N GLU 164.A O no hydrogen 2.981 N/A MET 169.A N ALA 165.A O no hydrogen 2.759 N/A ASP 170.A N LEU 166.A O no hydrogen 2.837 N/A SER 171.A N ILE 168.A O no hydrogen 2.972 N/A SER 171.A OG ILE 168.A O no hydrogen 2.485 N/A GLY 174.A N ASP 172.A OD1 no hydrogen 2.608 N/A GLU 175.A N ASP 173.A OD1 no hydrogen 3.067 N/A GLN 176.A N ASP 172.A OD2 no hydrogen 3.065 N/A PHE 178.A N GLY 174.A O no hydrogen 3.016 N/A LEU 179.A N GLU 175.A O no hydrogen 2.866 N/A HIS 180.A N GLN 176.A O no hydrogen 3.034 N/A GLY 181.A N ALA 177.A O no hydrogen 2.977 N/A LEU 182.A N PHE 178.A O no hydrogen 2.836 N/A GLU 183.A N LEU 179.A O no hydrogen 3.142 N/A SER 184.A N HIS 180.A O no hydrogen 3.048 N/A SER 184.A OG HIS 180.A O no hydrogen 3.350 N/A LEU 185.A N GLY 181.A O no hydrogen 2.943 N/A ILE 186.A N LEU 182.A O no hydrogen 3.017 N/A ARG 187.A N GLU 183.A O no hydrogen 3.021 N/A ARG 187.A NE GLU 190.A OE1 no hydrogen 3.333 N/A GLY 188.A N SER 184.A O no hydrogen 2.986 N/A PHE 189.A N LEU 185.A O no hydrogen 2.901 N/A GLU 190.A N ILE 186.A O no hydrogen 2.997 N/A VAL 191.A N ARG 187.A O no hydrogen 2.972 N/A GLN 192.A N GLY 188.A O no hydrogen 3.170 N/A LEU 193.A N PHE 189.A O no hydrogen 2.807 N/A THR 194.A N GLU 190.A O no hydrogen 2.938 N/A THR 194.A OG1 GLU 190.A O no hydrogen 2.953 N/A THR 194.A OG1 VAL 191.A O no hydrogen 3.268 N/A ALA 195.A N VAL 191.A O no hydrogen 3.079 N/A ALA 195.A N GLN 192.A O no hydrogen 3.301 N/A LEU 196.A N LEU 193.A O no hydrogen 3.323 N/A GLN 198.A N.A ALA 195.A O no hydrogen 2.867 N/A GLN 198.A N.B ALA 195.A O no hydrogen 2.853 N/A