Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vwk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N CYS 96.A O no hydrogen 3.020 N/A ARG 5.A N TRP 25.A O no hydrogen 2.972 N/A CYS 6.A N ALA 94.A O no hydrogen 2.547 N/A LEU 7.A N LEU 23.A O no hydrogen 2.704 N/A GLN 8.A N VAL 92.A O no hydrogen 2.974 N/A GLN 8.A NE2 SER 10.A OG no hydrogen 2.908 N/A ILE 9.A N ASP 21.A O no hydrogen 2.872 N/A SER 10.A N LEU 90.A O no hydrogen 2.935 N/A SER 10.A OG THR 20.A OG1 no hydrogen 3.267 N/A SER 11.A N ARG 19.A O no hydrogen 2.753 N/A SER 11.A OG GLU 89.A OE2 no hydrogen 3.084 N/A PHE 12.A N LEU 88.A O no hydrogen 2.957 N/A ALA 13.A N TRP 17.A O no hydrogen 2.852 N/A SER 16.A N ASN 14.A OD1 no hydrogen 3.236 N/A TRP 17.A N ASN 14.A OD1 no hydrogen 3.086 N/A ARG 19.A N SER 11.A O no hydrogen 2.898 N/A ARG 19.A NE ASP 21.A OD2 no hydrogen 3.231 N/A ARG 19.A NH1 ASP 37.A OD1 no hydrogen 3.448 N/A ARG 19.A NH1 ASP 37.A OD2 no hydrogen 3.568 N/A ARG 19.A NH2 ASP 21.A OD1 no hydrogen 3.383 N/A ARG 19.A NH2 ASP 37.A OD2 no hydrogen 3.007 N/A THR 20.A N ASN 36.A OD1 no hydrogen 3.434 N/A THR 20.A OG1 SER 10.A OG no hydrogen 3.267 N/A ASP 21.A N ILE 9.A O no hydrogen 2.927 N/A GLY 22.A N TRP 34.A O no hydrogen 2.732 N/A LEU 23.A N LEU 7.A O no hydrogen 2.846 N/A ALA 24.A N HIS 32.A O no hydrogen 3.431 N/A TRP 25.A N ARG 5.A O no hydrogen 2.907 N/A LEU 26.A N LEU 29.A O no hydrogen 2.633 N/A GLY 27.A N PRO 3.A O no hydrogen 3.213 N/A GLN 30.A NE2 HIS 32.A O no hydrogen 3.046 N/A THR 31.A N ALA 24.A O no hydrogen 2.871 N/A THR 31.A OG1 HIS 32.A ND1 no hydrogen 2.934 N/A HIS 32.A N ALA 24.A O no hydrogen 3.482 N/A HIS 32.A ND1 THR 31.A OG1 no hydrogen 2.934 N/A SER 33.A N ARG 42.A O no hydrogen 2.967 N/A TRP 34.A N GLY 22.A O no hydrogen 2.976 N/A ASN 36.A N ASP 21.A OD1 no hydrogen 3.345 N/A ASP 37.A N SER 35.A OG no hydrogen 3.348 N/A SER 38.A OG THR 40.A O no hydrogen 2.913 N/A THR 40.A N SER 38.A OG no hydrogen 3.185 N/A VAL 41.A N GLN 61.A OE1 no hydrogen 2.464 N/A ARG 42.A N SER 33.A O no hydrogen 2.705 N/A LEU 44.A N THR 31.A O no hydrogen 3.079 N/A LEU 44.A N SER 48.A OG no hydrogen 3.304 N/A LYS 45.A N SER 48.A OG no hydrogen 2.837 N/A LYS 45.A NZ GLU 220.A OE1 no hydrogen 3.003 N/A LYS 45.A NZ GLU 220.A OE2 no hydrogen 3.222 N/A SER 48.A N LYS 45.A O no hydrogen 3.044 N/A SER 48.A OG THR 31.A O no hydrogen 2.960 N/A SER 48.A OG LYS 45.A O no hydrogen 3.005 N/A GLY 50.A N TRP 47.A O no hydrogen 2.959 N/A THR 51.A OG1 GLY 161.A O no hydrogen 3.254 N/A PHE 52.A N GLN 49.A O no hydrogen 3.335 N/A SER 53.A N GLN 56.A OE1 no hydrogen 2.703 N/A SER 53.A OG GLN 56.A OE1 no hydrogen 3.349 N/A GLN 56.A N SER 53.A OG no hydrogen 3.014 N/A TRP 57.A N SER 53.A O no hydrogen 2.881 N/A GLU 58.A N ASP 54.A O no hydrogen 2.836 N/A THR 59.A N GLN 55.A O no hydrogen 3.179 N/A LEU 60.A N GLN 56.A O no hydrogen 3.321 N/A GLN 61.A N TRP 57.A O no hydrogen 2.928 N/A HIS 62.A N GLU 58.A O no hydrogen 3.026 N/A HIS 62.A N THR 59.A O no hydrogen 3.150 N/A ILE 63.A N THR 59.A O no hydrogen 3.143 N/A ILE 63.A N LEU 60.A O no hydrogen 3.155 N/A PHE 64.A N LEU 60.A O no hydrogen 3.222 N/A ARG 65.A NE ASP 39.A O no hydrogen 3.228 N/A ARG 65.A NH2 ASP 39.A O no hydrogen 3.336 N/A VAL 66.A N HIS 62.A O no hydrogen 3.496 N/A TYR 67.A N ILE 63.A O no hydrogen 3.044 N/A TYR 67.A OH GLN 8.A OE1 no hydrogen 2.565 N/A ARG 68.A N PHE 64.A O no hydrogen 2.871 N/A ARG 68.A NH1 SER 35.A O no hydrogen 2.885 N/A ARG 68.A NH1 SER 38.A O no hydrogen 3.138 N/A ARG 68.A NH2 SER 38.A O no hydrogen 2.740 N/A SER 69.A OG VAL 66.A O no hydrogen 3.162 N/A SER 70.A N VAL 66.A O no hydrogen 3.219 N/A SER 70.A OG VAL 66.A O no hydrogen 2.937 N/A PHE 71.A N TYR 67.A O no hydrogen 2.788 N/A THR 72.A N ARG 68.A O no hydrogen 3.336 N/A THR 72.A OG1 ARG 68.A O no hydrogen 2.838 N/A ARG 73.A N SER 69.A O no hydrogen 3.300 N/A ASP 74.A N SER 70.A O no hydrogen 2.816 N/A VAL 75.A N PHE 71.A O no hydrogen 3.070 N/A VAL 75.A N THR 72.A O no hydrogen 3.104 N/A LYS 76.A N THR 72.A O no hydrogen 3.181 N/A LYS 76.A NZ SER 15.A O no hydrogen 2.928 N/A GLU 77.A N ARG 73.A O no hydrogen 3.202 N/A PHE 78.A N ASP 74.A O no hydrogen 2.972 N/A ALA 79.A N VAL 75.A O no hydrogen 3.034 N/A ALA 79.A N LYS 76.A O no hydrogen 3.232 N/A LYS 80.A NZ GLU 77.A OE2 no hydrogen 3.190 N/A MET 81.A N GLU 77.A O no hydrogen 3.244 N/A LEU 82.A N PHE 78.A O no hydrogen 2.953 N/A ARG 83.A N LYS 80.A O no hydrogen 2.793 N/A LEU 84.A N ALA 79.A O no hydrogen 2.962 N/A LEU 88.A N PHE 12.A O no hydrogen 3.007 N/A GLU 89.A N GLN 108.A OE1 no hydrogen 3.108 N/A LEU 90.A N SER 10.A O no hydrogen 3.073 N/A GLN 91.A N ALA 106.A O no hydrogen 3.053 N/A VAL 92.A N GLN 8.A O no hydrogen 3.050 N/A SER 93.A N HIS 104.A O no hydrogen 3.016 N/A ALA 94.A N CYS 6.A O no hydrogen 2.901 N/A GLY 95.A N PHE 102.A O no hydrogen 3.205 N/A GLU 97.A N ASN 100.A O no hydrogen 3.087 N/A PHE 102.A N GLY 95.A O no hydrogen 3.053 N/A HIS 104.A N SER 93.A O no hydrogen 3.074 N/A VAL 105.A N LEU 113.A O no hydrogen 2.961 N/A ALA 106.A N GLN 91.A O no hydrogen 2.935 N/A PHE 107.A N LYS 110.A O no hydrogen 2.879 N/A GLN 108.A N GLU 89.A O no hydrogen 2.987 N/A GLN 108.A NE2 PRO 87.A O no hydrogen 3.684 N/A LYS 110.A N PHE 107.A O no hydrogen 3.100 N/A ILE 112.A N VAL 105.A O no hydrogen 3.031 N/A LEU 113.A N VAL 105.A O no hydrogen 3.449 N/A SER 114.A N GLU 121.A O no hydrogen 3.205 N/A PHE 115.A N PHE 103.A O no hydrogen 3.108 N/A GLN 116.A NE2 SER 114.A OG no hydrogen 3.297 N/A SER 119.A N GLN 116.A O no hydrogen 3.139 N/A SER 119.A OG THR 118.A O no hydrogen 2.547 N/A TRP 120.A N ASN 138.A OD1 no hydrogen 2.984 N/A GLU 121.A N SER 114.A O no hydrogen 3.129 N/A THR 123.A N ILE 112.A O no hydrogen 2.890 N/A THR 123.A OG1 ASP 111.A O no hydrogen 3.356 N/A THR 123.A OG1 ILE 112.A O no hydrogen 3.211 N/A ASN 131.A N LEU 128.A O no hydrogen 2.964 N/A LEU 132.A N TRP 129.A O no hydrogen 3.111 N/A ALA 133.A N TRP 129.A O no hydrogen 3.458 N/A ILE 134.A N VAL 130.A O no hydrogen 2.825 N/A GLN 135.A N ASN 131.A O no hydrogen 3.066 N/A VAL 136.A N LEU 132.A O no hydrogen 3.233 N/A VAL 136.A N ALA 133.A O no hydrogen 3.213 N/A LEU 137.A N ALA 133.A O no hydrogen 2.968 N/A ASN 138.A N ILE 134.A O no hydrogen 3.224 N/A ASN 138.A ND2 TRP 120.A O no hydrogen 3.026 N/A GLN 139.A N VAL 136.A O no hydrogen 2.957 N/A ASP 140.A N LEU 137.A O no hydrogen 3.380 N/A THR 143.A N ASP 140.A OD2 no hydrogen 3.297 N/A THR 143.A OG1 ASP 140.A OD1 no hydrogen 2.532 N/A ARG 144.A N ASP 140.A O no hydrogen 3.163 N/A ARG 144.A NH1 THR 118.A O no hydrogen 2.713 N/A GLU 145.A N LYS 141.A O no hydrogen 2.989 N/A THR 146.A N TRP 142.A O no hydrogen 2.939 N/A THR 146.A OG1 TRP 142.A O no hydrogen 2.824 N/A VAL 147.A N THR 143.A O no hydrogen 2.894 N/A GLN 148.A N ARG 144.A O no hydrogen 3.362 N/A GLN 148.A NE2 ARG 144.A O no hydrogen 3.044 N/A TRP 149.A N GLU 145.A O no hydrogen 3.154 N/A LEU 150.A N THR 146.A O no hydrogen 3.079 N/A LEU 151.A N VAL 147.A O no hydrogen 3.035 N/A ASN 152.A N GLN 148.A O no hydrogen 2.767 N/A GLY 153.A N TRP 149.A O no hydrogen 3.143 N/A THR 154.A N TRP 149.A O no hydrogen 3.034 N/A THR 154.A OG1 TRP 149.A O no hydrogen 3.517 N/A CYS 155.A N LEU 150.A O no hydrogen 2.864 N/A PHE 158.A N THR 154.A O no hydrogen 2.964 N/A VAL 159.A N CYS 155.A O no hydrogen 2.926 N/A SER 160.A OG PRO 156.A O no hydrogen 3.502 N/A LEU 162.A N PHE 158.A O no hydrogen 3.176 N/A LEU 163.A N VAL 159.A O no hydrogen 3.013 N/A GLU 164.A N SER 160.A O no hydrogen 3.140 N/A SER 165.A N LEU 162.A O no hydrogen 2.926 N/A GLY 166.A N LEU 162.A O no hydrogen 2.698 N/A LEU 170.A N GLY 166.A O no hydrogen 3.174 N/A LYS 171.A N LYS 167.A O no hydrogen 3.192 N/A VAL 174.A N TYR 199.A O no hydrogen 2.950 N/A LYS 177.A N SER 196.A O no hydrogen 3.145 N/A TRP 179.A N HIS 194.A O no hydrogen 2.966 N/A SER 181.A N VAL 192.A O no hydrogen 2.905 N/A SER 181.A OG HIS 194.A NE2 no hydrogen 3.049 N/A GLY 183.A N LEU 190.A O no hydrogen 3.223 N/A SER 185.A OG ARG 188.A O no hydrogen 2.457 N/A LEU 191.A N LEU 228.A O no hydrogen 2.953 N/A VAL 192.A N SER 181.A O no hydrogen 3.155 N/A CYS 193.A N ALA 226.A O no hydrogen 2.840 N/A HIS 194.A N TRP 179.A O no hydrogen 2.798 N/A HIS 194.A ND1 TYR 223.A OH no hydrogen 2.824 N/A HIS 194.A NE2 SER 181.A OG no hydrogen 3.049 N/A VAL 195.A N LEU 224.A O no hydrogen 2.887 N/A SER 196.A N LYS 177.A O no hydrogen 3.137 N/A GLY 197.A N TRP 222.A O no hydrogen 2.835 N/A TYR 199.A OH GLU 169.A O no hydrogen 3.121 N/A LYS 201.A N GLU 28.A OE2 no hydrogen 3.206 N/A LYS 206.A N ARG 234.A O no hydrogen 3.363 N/A MET 208.A N SER 232.A O no hydrogen 3.095 N/A GLN 210.A N THR 227.A O no hydrogen 2.897 N/A LEU 215.A N TYR 223.A O no hydrogen 2.927 N/A ASN 217.A N THR 221.A O no hydrogen 2.795 N/A ASN 217.A ND2 SER 196.A OG no hydrogen 3.382 N/A THR 221.A OG1 ASP 219.A OD1 no hydrogen 2.699 N/A THR 221.A OG1 ASP 219.A OD2 no hydrogen 3.102 N/A TRP 222.A N PHE 198.A O no hydrogen 2.937 N/A TRP 222.A NE1 GLU 28.A OE1 no hydrogen 2.491 N/A TYR 223.A OH HIS 194.A ND1 no hydrogen 2.824 N/A LEU 224.A N VAL 195.A O no hydrogen 2.604 N/A ALA 226.A N CYS 193.A O no hydrogen 3.121 N/A THR 227.A N GLN 210.A O no hydrogen 3.053 N/A THR 227.A OG1 GLN 210.A O no hydrogen 3.415 N/A VAL 230.A N LEU 189.A O no hydrogen 3.240 N/A CYS 233.A N LEU 247.A O no hydrogen 2.875 N/A ARG 234.A N LYS 206.A O no hydrogen 3.284 N/A VAL 235.A N ILE 245.A O no hydrogen 3.260 N/A LYS 236.A N TRP 204.A O no hydrogen 2.950 N/A HIS 237.A NE2 PRO 200.A O no hydrogen 3.147 N/A SER 238.A OG GLN 173.A OE1 no hydrogen 2.711 N/A SER 239.A N HIS 237.A ND1 no hydrogen 3.190 N/A SER 239.A OG GLN 173.A OE1 no hydrogen 2.852 N/A SER 239.A OG VAL 174.A O no hydrogen 2.895 N/A SER 239.A OG HIS 237.A ND1 no hydrogen 2.972 N/A LEU 240.A N HIS 237.A O no hydrogen 3.094 N/A GLU 241.A N GLU 241.A OE1 no hydrogen 3.246 N/A ILE 245.A N VAL 235.A O no hydrogen 2.948 N/A LEU 247.A N CYS 233.A O no hydrogen 2.886 N/A TRP 249.A N LEU 231.A O no hydrogen 3.311 N/A