Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2vta_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 2.A OE1 no hydrogen 3.479 N/A PHE 4.A N MET 1.A O no hydrogen 3.256 N/A GLN 5.A N ARG 22.A O no hydrogen 3.047 N/A VAL 7.A N LYS 20.A O no hydrogen 2.854 N/A GLU 8.A N LYS 20.A O no hydrogen 3.278 N/A ILE 10.A N VAL 18.A O no hydrogen 2.865 N/A GLY 11.A N VAL 18.A O no hydrogen 3.342 N/A GLY 13.A N GLY 16.A O no hydrogen 2.804 N/A VAL 18.A N GLY 11.A O no hydrogen 2.720 N/A TYR 19.A N LEU 32.A O no hydrogen 2.786 N/A LYS 20.A N GLU 8.A O no hydrogen 2.675 N/A ALA 21.A N VAL 30.A O no hydrogen 2.986 N/A ARG 22.A N GLN 5.A O no hydrogen 3.006 N/A ASN 23.A N GLU 28.A O no hydrogen 2.832 N/A LYS 24.A N ASN 3.A O no hydrogen 2.773 N/A LYS 24.A NZ GLU 2.A O no hydrogen 2.928 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.748 N/A THR 26.A N ASN 23.A OD1 no hydrogen 2.812 N/A GLY 27.A N ASN 23.A O no hydrogen 2.477 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.120 N/A VAL 30.A N ALA 21.A O no hydrogen 2.987 N/A ALA 31.A N PHE 71.A O no hydrogen 2.935 N/A LEU 32.A N TYR 19.A O no hydrogen 2.647 N/A LYS 33.A N LEU 69.A O no hydrogen 2.827 N/A LYS 34.A N VAL 17.A O no hydrogen 2.949 N/A ILE 35.A N LEU 67.A O no hydrogen 2.858 N/A ARG 36.A N TYR 15.A O no hydrogen 3.033 N/A ARG 41.A N SER 37.A O no hydrogen 3.104 N/A GLU 42.A N THR 38.A O no hydrogen 2.978 N/A ILE 43.A N ALA 39.A O no hydrogen 2.952 N/A SER 44.A N ILE 40.A O no hydrogen 3.107 N/A SER 44.A OG ILE 40.A O no hydrogen 3.103 N/A LEU 45.A N ARG 41.A O no hydrogen 3.334 N/A LEU 45.A N GLU 42.A O no hydrogen 3.146 N/A LEU 46.A N GLU 42.A O no hydrogen 3.328 N/A LEU 46.A N ILE 43.A O no hydrogen 3.134 N/A GLU 48.A N LEU 45.A O no hydrogen 3.275 N/A LEU 49.A N LEU 46.A O no hydrogen 3.222 N/A ASN 50.A N GLU 48.A O no hydrogen 3.101 N/A ASN 50.A ND2 LYS 47.A O no hydrogen 3.660 N/A ASN 53.A ND2 GLN 101.A OE1 no hydrogen 3.253 N/A ASN 53.A ND2 ILE 132.A O no hydrogen 2.965 N/A ILE 54.A N HIS 51.A O no hydrogen 2.997 N/A VAL 55.A N LEU 134.A O no hydrogen 2.976 N/A LYS 56.A N GLU 72.A OE1 no hydrogen 2.886 N/A LEU 58.A N VAL 70.A O no hydrogen 2.550 N/A ASP 59.A N VAL 70.A O no hydrogen 3.209 N/A ILE 61.A N TYR 68.A O no hydrogen 2.800 N/A THR 63.A N LYS 66.A O no hydrogen 3.151 N/A LYS 66.A N THR 63.A O no hydrogen 2.868 N/A TYR 68.A N ILE 61.A O no hydrogen 3.083 N/A LEU 69.A N LYS 33.A O no hydrogen 3.029 N/A VAL 70.A N ASP 59.A O no hydrogen 2.738 N/A PHE 71.A N ALA 31.A O no hydrogen 2.879 N/A GLU 72.A N LYS 56.A O no hydrogen 2.850 N/A GLN 76.A NE2 ARG 277.A O no hydrogen 3.668 N/A LEU 78.A N LEU 124.A O no hydrogen 2.793 N/A LYS 79.A NZ ASP 83.A OD1 no hydrogen 3.268 N/A LYS 79.A NZ ASP 83.A OD2 no hydrogen 2.729 N/A LYS 80.A N ASP 77.A OD1 no hydrogen 3.081 N/A PHE 81.A N ASP 77.A O no hydrogen 2.833 N/A MET 82.A N LEU 78.A O no hydrogen 2.749 N/A ASP 83.A N LYS 79.A O no hydrogen 3.071 N/A ALA 84.A N LYS 80.A O no hydrogen 3.082 N/A SER 85.A N PHE 81.A O no hydrogen 2.918 N/A SER 85.A N MET 82.A O no hydrogen 3.174 N/A SER 85.A OG PHE 81.A O no hydrogen 3.016 N/A ALA 86.A N ASP 83.A O no hydrogen 3.459 N/A THR 88.A OG1 GLY 89.A O no hydrogen 3.512 N/A GLY 89.A N SER 85.A O no hydrogen 2.389 N/A LEU 94.A N PRO 91.A O no hydrogen 2.921 N/A ILE 95.A N PRO 91.A O no hydrogen 3.035 N/A LYS 96.A N LEU 92.A O no hydrogen 2.782 N/A LYS 96.A NZ PHE 265.A O no hydrogen 3.142 N/A LYS 96.A NZ ASP 268.A OD1 no hydrogen 2.824 N/A SER 97.A N PRO 93.A O no hydrogen 3.139 N/A SER 97.A OG THR 270.A O no hydrogen 3.270 N/A TYR 98.A N LEU 94.A O no hydrogen 2.914 N/A LEU 99.A N ILE 95.A O no hydrogen 3.048 N/A PHE 100.A N LYS 96.A O no hydrogen 3.052 N/A GLN 101.A N SER 97.A O no hydrogen 3.022 N/A GLN 101.A NE2 SER 97.A O no hydrogen 3.499 N/A GLN 101.A NE2 SER 97.A OG no hydrogen 3.159 N/A GLN 101.A NE2 GLY 130.A O no hydrogen 2.933 N/A LEU 102.A N TYR 98.A O no hydrogen 3.012 N/A LEU 103.A N LEU 99.A O no hydrogen 2.874 N/A GLN 104.A N PHE 100.A O no hydrogen 2.956 N/A GLY 105.A N GLN 101.A O no hydrogen 2.939 N/A LEU 106.A N LEU 102.A O no hydrogen 2.809 N/A ALA 107.A N LEU 103.A O no hydrogen 2.806 N/A PHE 108.A N GLN 104.A O no hydrogen 3.121 N/A CYS 109.A N GLY 105.A O no hydrogen 3.127 N/A CYS 109.A SG GLY 105.A O no hydrogen 3.543 N/A HIS 110.A N LEU 106.A O no hydrogen 2.813 N/A HIS 110.A NE2 ASP 165.A OD2 no hydrogen 2.934 N/A SER 111.A N ALA 107.A O no hydrogen 3.051 N/A SER 111.A OG ALA 107.A O no hydrogen 3.312 N/A SER 111.A OG PHE 108.A O no hydrogen 2.880 N/A HIS 112.A N PHE 108.A O no hydrogen 3.281 N/A HIS 112.A N CYS 109.A O no hydrogen 3.014 N/A HIS 112.A ND1 PHE 108.A O no hydrogen 2.973 N/A ARG 113.A N HIS 110.A O no hydrogen 3.063 N/A VAL 114.A N CYS 109.A O no hydrogen 2.856 N/A HIS 116.A N ASP 165.A OD2 no hydrogen 2.700 N/A HIS 116.A NE2 ALA 135.A O no hydrogen 2.716 N/A ARG 117.A N ASP 165.A OD1 no hydrogen 2.872 N/A ASP 118.A N HIS 116.A ND1 no hydrogen 3.101 N/A LYS 120.A N ASN 123.A OD1 no hydrogen 3.248 N/A LYS 120.A NZ GLN 122.A OE1 no hydrogen 3.098 N/A ASN 123.A N LYS 120.A O no hydrogen 3.136 N/A ASN 123.A ND2 ASP 118.A O no hydrogen 3.106 N/A LEU 124.A N PRO 121.A O no hydrogen 3.148 N/A LEU 125.A N LYS 133.A O no hydrogen 2.902 N/A ILE 126.A N GLN 76.A O no hydrogen 2.782 N/A ASN 127.A N ALA 131.A O no hydrogen 3.177 N/A GLY 130.A N ASN 127.A O no hydrogen 3.403 N/A ALA 131.A N ASN 127.A OD1 no hydrogen 2.943 N/A ILE 132.A N GLN 101.A OE1 no hydrogen 3.094 N/A LYS 133.A N LEU 125.A O no hydrogen 2.771 N/A LYS 133.A NZ GLU 72.A OE1 no hydrogen 3.528 N/A LYS 133.A NZ GLU 72.A OE2 no hydrogen 2.698 N/A LEU 134.A N ASN 53.A O no hydrogen 2.864 N/A ALA 135.A N ASN 123.A O no hydrogen 2.896 N/A ALA 142.A N GLY 138.A O no hydrogen 3.413 N/A PHE 143.A N ALA 140.A O no hydrogen 3.131 N/A TRP 147.A N THR 145.A OG1 no hydrogen 3.403 N/A TYR 148.A OH GLU 175.A OE1 no hydrogen 2.393 N/A ARG 149.A N LEU 146.A O no hydrogen 2.977 N/A GLU 152.A N GLU 152.A OE1 no hydrogen 2.794 N/A ILE 153.A N ALA 150.A O no hydrogen 3.226 N/A LEU 154.A N ALA 150.A O no hydrogen 3.275 N/A LEU 155.A N PRO 151.A O no hydrogen 2.816 N/A GLY 156.A N ILE 153.A O no hydrogen 3.163 N/A CYS 157.A N GLU 152.A O no hydrogen 2.972 N/A ALA 163.A N SER 161.A OG no hydrogen 3.004 N/A VAL 164.A N SER 161.A O no hydrogen 3.142 N/A ASP 165.A N THR 162.A O no hydrogen 2.936 N/A TRP 167.A N ALA 163.A O no hydrogen 3.112 N/A SER 168.A N VAL 164.A O no hydrogen 3.241 N/A SER 168.A OG TYR 148.A O no hydrogen 2.794 N/A SER 168.A OG VAL 164.A O no hydrogen 3.121 N/A LEU 169.A N ASP 165.A O no hydrogen 3.013 N/A GLY 170.A N ILE 166.A O no hydrogen 2.878 N/A CYS 171.A N TRP 167.A O no hydrogen 3.063 N/A CYS 171.A SG TRP 167.A O no hydrogen 3.584 N/A ILE 172.A N SER 168.A O no hydrogen 3.063 N/A PHE 173.A N LEU 169.A O no hydrogen 2.951 N/A ALA 174.A N GLY 170.A O no hydrogen 3.081 N/A GLU 175.A N CYS 171.A O no hydrogen 3.093 N/A MET 176.A N ILE 172.A O no hydrogen 2.925 N/A VAL 177.A N PHE 173.A O no hydrogen 3.183 N/A THR 178.A N ALA 174.A O no hydrogen 2.989 N/A THR 178.A OG1 ALA 174.A O no hydrogen 2.989 N/A ARG 179.A N GLU 175.A O no hydrogen 2.792 N/A ARG 179.A NH1 ALA 86.A O no hydrogen 3.036 N/A GLY 185.A N PHE 183.A O no hydrogen 3.015 N/A GLY 185.A N GLN 191.A OE1 no hydrogen 2.752 N/A ASP 186.A N ASP 190.A OD2 no hydrogen 3.089 N/A ASP 190.A N SER 187.A OG no hydrogen 3.216 N/A GLN 191.A N SER 187.A O no hydrogen 2.906 N/A GLN 191.A NE2 TRP 147.A O no hydrogen 3.181 N/A GLN 191.A NE2 PHE 183.A O no hydrogen 2.957 N/A LEU 192.A N GLU 188.A O no hydrogen 3.099 N/A PHE 193.A N ILE 189.A O no hydrogen 2.824 N/A ARG 194.A N ASP 190.A O no hydrogen 2.900 N/A ARG 194.A NE ASP 190.A OD2 no hydrogen 2.969 N/A ILE 195.A N GLN 191.A O no hydrogen 3.059 N/A PHE 196.A N LEU 192.A O no hydrogen 2.953 N/A ARG 197.A N PHE 193.A O no hydrogen 3.052 N/A THR 198.A N ARG 194.A O no hydrogen 3.402 N/A THR 198.A OG1 ARG 194.A O no hydrogen 3.405 N/A LEU 199.A N ILE 195.A O no hydrogen 2.925 N/A GLY 200.A N PHE 196.A O no hydrogen 2.642 N/A THR 201.A N TRP 223.A O no hydrogen 3.087 N/A THR 201.A OG1 PRO 221.A O no hydrogen 2.652 N/A VAL 206.A N ASP 203.A OD1 no hydrogen 3.134 N/A TRP 207.A N ASP 203.A O no hydrogen 2.932 N/A GLY 209.A N GLU 204.A OE1 no hydrogen 2.884 N/A VAL 210.A N TRP 207.A O no hydrogen 3.021 N/A THR 211.A N GLU 204.A OE2 no hydrogen 3.003 N/A THR 211.A OG1 GLU 204.A OE2 no hydrogen 2.556 N/A SER 212.A N GLY 209.A O no hydrogen 2.917 N/A MET 213.A N VAL 210.A O no hydrogen 3.020 N/A ASP 215.A N LEU 155.A O no hydrogen 2.947 N/A TYR 216.A N MET 213.A O no hydrogen 3.171 N/A PHE 220.A N LYS 217.A O no hydrogen 2.919 N/A LYS 222.A NZ PHE 220.A O no hydrogen 3.161 N/A TRP 223.A N THR 201.A OG1 no hydrogen 2.970 N/A ARG 225.A NH1 LEU 199.A O no hydrogen 3.165 N/A GLN 226.A N THR 198.A O no hydrogen 2.902 N/A LYS 230.A N ASP 227.A O no hydrogen 3.070 N/A VAL 231.A N PHE 228.A O no hydrogen 2.989 N/A VAL 232.A N PHE 228.A O no hydrogen 3.050 N/A LEU 235.A N VAL 232.A O no hydrogen 3.016 N/A GLY 239.A N ASP 236.A OD1 no hydrogen 3.161 N/A ARG 240.A N ASP 236.A O no hydrogen 2.924 N/A ARG 240.A NE LEU 235.A O no hydrogen 3.340 N/A SER 241.A N GLU 237.A O no hydrogen 2.913 N/A SER 241.A OG HIS 263.A NE2 no hydrogen 3.105 N/A LEU 242.A N ASP 238.A O no hydrogen 2.976 N/A LEU 243.A N GLY 239.A O no hydrogen 2.864 N/A SER 244.A N ARG 240.A O no hydrogen 2.818 N/A GLN 245.A N SER 241.A O no hydrogen 3.168 N/A MET 246.A N LEU 242.A O no hydrogen 3.109 N/A LEU 247.A N SER 244.A O no hydrogen 3.287 N/A HIS 248.A ND1 LYS 253.A O no hydrogen 3.222 N/A TYR 249.A OH GLY 200.A O no hydrogen 2.594 N/A ASN 252.A N ASP 250.A OD1 no hydrogen 2.960 N/A LYS 253.A N ASP 250.A O no hydrogen 2.874 N/A LYS 253.A NZ ASP 250.A OD2 no hydrogen 3.177 N/A ARG 254.A N ASP 250.A O no hydrogen 3.068 N/A ARG 254.A NE HIS 248.A O no hydrogen 2.888 N/A ARG 254.A NH1 GLU 152.A OE1 no hydrogen 3.421 N/A ARG 254.A NH1 GLU 152.A OE2 no hydrogen 2.742 N/A ARG 254.A NH1 ALA 163.A O no hydrogen 2.929 N/A ARG 254.A NH2 GLU 152.A OE1 no hydrogen 2.688 N/A ARG 254.A NH2 HIS 248.A O no hydrogen 3.281 N/A ARG 254.A NH2 TYR 249.A O no hydrogen 3.085 N/A ILE 255.A N GLN 245.A O no hydrogen 2.960 N/A ALA 259.A N SER 256.A OG no hydrogen 3.049 N/A ALA 260.A N SER 256.A O no hydrogen 2.936 N/A LEU 261.A N ALA 257.A O no hydrogen 3.041 N/A ALA 262.A N ALA 259.A O no hydrogen 3.082 N/A HIS 263.A N ALA 260.A O no hydrogen 2.995 N/A HIS 263.A NE2 SER 241.A OG no hydrogen 3.105 N/A PHE 265.A N HIS 263.A ND1 no hydrogen 3.031 N/A PHE 266.A N HIS 263.A O no hydrogen 3.076 N/A GLN 267.A N PRO 264.A O no hydrogen 3.080 N/A VAL 269.A N PHE 266.A O no hydrogen 3.090 N/A LYS 271.A NZ GLU 129.A O no hydrogen 2.969 N/A