Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1vce_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N ALA 73.A O no hydrogen 3.220 N/A VAL 1.A N ASN 76.A O no hydrogen 3.260 N/A LEU 2.A N GLU 105.A O no hydrogen 2.915 N/A TYR 3.A N VAL 78.A O no hydrogen 2.875 N/A PHE 4.A N TYR 107.A O no hydrogen 2.811 N/A ILE 5.A N PHE 80.A O no hydrogen 3.034 N/A GLY 6.A N ILE 109.A O no hydrogen 2.977 N/A LEU 7.A N THR 82.A O no hydrogen 2.784 N/A GLY 8.A N GLY 84.A O no hydrogen 3.238 N/A TYR 10.A N ASP 14.A OD2 no hydrogen 2.563 N/A ASP 11.A N ASP 14.A OD2 no hydrogen 2.908 N/A GLU 12.A N GLU 12.A OE1 no hydrogen 2.836 N/A ARG 13.A N ASP 11.A OD1 no hydrogen 2.854 N/A ASP 14.A N ASP 11.A O no hydrogen 3.145 N/A GLY 19.A N THR 16.A OG1 no hydrogen 3.008 N/A LEU 20.A N THR 16.A O no hydrogen 2.876 N/A GLU 21.A N VAL 17.A O no hydrogen 2.949 N/A ILE 22.A N LYS 18.A O no hydrogen 3.031 N/A ALA 23.A N GLY 19.A O no hydrogen 2.805 N/A LYS 24.A N LEU 20.A O no hydrogen 2.934 N/A LYS 25.A N ILE 22.A O no hydrogen 3.012 N/A CYS 26.A SG ILE 22.A O no hydrogen 3.428 N/A ASP 27.A N ASP 77.A O no hydrogen 2.710 N/A TYR 28.A N ASP 77.A O no hydrogen 3.168 N/A PHE 30.A N ALA 79.A O no hydrogen 2.661 N/A ALA 31.A N ARG 54.A O no hydrogen 3.165 N/A GLU 32.A N LEU 81.A O no hydrogen 3.094 N/A TYR 34.A N GLU 32.A OE2 no hydrogen 2.878 N/A THR 35.A N GLU 32.A OE2 no hydrogen 3.143 N/A THR 35.A OG1 GLU 32.A OE1 no hydrogen 2.586 N/A THR 35.A OG1 GLU 32.A OE2 no hydrogen 3.374 N/A GLY 39.A N TYR 10.A O no hydrogen 2.958 N/A THR 40.A OG1 GLU 12.A OE1 no hydrogen 2.578 N/A THR 40.A OG1 THR 41.A O no hydrogen 3.382 N/A THR 41.A N THR 40.A OG1 no hydrogen 2.651 N/A ARG 44.A N THR 41.A OG1 no hydrogen 3.333 N/A ILE 45.A N THR 41.A O no hydrogen 3.214 N/A GLN 46.A N LEU 42.A O no hydrogen 2.882 N/A LYS 47.A N GLY 43.A O no hydrogen 3.038 N/A LEU 48.A N ARG 44.A O no hydrogen 2.970 N/A ILE 49.A N ILE 45.A O no hydrogen 3.083 N/A GLY 50.A N GLN 46.A O no hydrogen 2.739 N/A LYS 51.A N GLN 46.A O no hydrogen 3.148 N/A ILE 53.A N GLN 46.A OE1 no hydrogen 2.934 N/A ARG 54.A N VAL 29.A O no hydrogen 3.075 N/A LEU 56.A N ALA 31.A O no hydrogen 2.711 N/A SER 57.A N ASP 60.A OD2 no hydrogen 2.932 N/A SER 57.A OG ASP 60.A OD2 no hydrogen 2.835 N/A ARG 58.A NH1 GLU 62.A OE1 no hydrogen 2.756 N/A ASP 60.A N SER 57.A OG no hydrogen 3.202 N/A VAL 61.A N SER 57.A O no hydrogen 3.173 N/A GLU 62.A N ARG 58.A O no hydrogen 2.850 N/A LEU 63.A N GLU 59.A O no hydrogen 2.811 N/A ASN 64.A N ASP 60.A O no hydrogen 2.803 N/A ASN 64.A ND2 ASN 67.A OD1 no hydrogen 2.843 N/A PHE 65.A N VAL 61.A O no hydrogen 3.118 N/A GLU 66.A N GLU 66.A OE2 no hydrogen 2.726 N/A ASN 67.A N ASN 64.A O no hydrogen 2.866 N/A ILE 68.A N ASN 64.A O no hydrogen 2.879 N/A VAL 69.A N PHE 65.A O no hydrogen 2.892 N/A LEU 70.A N PHE 65.A O no hydrogen 3.301 N/A LEU 72.A N VAL 69.A O no hydrogen 3.148 N/A ALA 73.A N VAL 69.A O no hydrogen 3.387 N/A LYS 74.A N PRO 71.A O no hydrogen 3.287 N/A LYS 74.A NZ ALA 102.A O no hydrogen 2.894 N/A LYS 74.A NZ GLY 103.A O no hydrogen 2.961 N/A GLU 75.A N LEU 72.A O no hydrogen 3.282 N/A ASN 76.A ND2 LEU 72.A O no hydrogen 2.983 N/A ASP 77.A N ASP 27.A OD1 no hydrogen 2.940 N/A VAL 78.A N VAL 1.A O no hydrogen 2.944 N/A ALA 79.A N TYR 28.A O no hydrogen 2.807 N/A PHE 80.A N TYR 3.A O no hydrogen 2.747 N/A LEU 81.A N PHE 30.A O no hydrogen 2.659 N/A THR 82.A N ILE 5.A O no hydrogen 3.189 N/A GLY 84.A N GLY 8.A O no hydrogen 2.717 N/A LEU 87.A N ASP 85.A OD1 no hydrogen 2.869 N/A VAL 88.A N ASP 85.A O no hydrogen 3.093 N/A THR 90.A OG1 PRO 86.A O no hydrogen 3.034 N/A THR 90.A OG1 HIS 92.A ND1 no hydrogen 3.321 N/A HIS 92.A N THR 90.A OG1 no hydrogen 3.182 N/A HIS 92.A ND1 PRO 86.A O no hydrogen 3.120 N/A LEU 95.A N HIS 92.A O no hydrogen 2.787 N/A ARG 96.A N ALA 93.A O no hydrogen 2.972 N/A ARG 96.A NE SER 106.A OG no hydrogen 2.858 N/A ARG 96.A NH2 SER 106.A O no hydrogen 2.929 N/A ARG 96.A NH2 SER 106.A OG no hydrogen 3.198 N/A ILE 97.A N GLU 94.A O no hydrogen 3.047 N/A ARG 98.A N GLU 94.A O no hydrogen 3.366 N/A ARG 98.A NE GLU 94.A OE1 no hydrogen 2.915 N/A ARG 98.A NH1 VAL 61.A O no hydrogen 3.148 N/A ARG 98.A NH1 GLU 62.A O no hydrogen 3.429 N/A ARG 98.A NH2 GLU 62.A O no hydrogen 3.080 N/A ARG 98.A NH2 GLU 94.A OE1 no hydrogen 3.274 N/A ALA 99.A N LEU 95.A O no hydrogen 2.934 N/A LYS 100.A N ARG 96.A O no hydrogen 2.837 N/A ARG 101.A N ILE 97.A O no hydrogen 2.971 N/A ALA 102.A N ARG 98.A O no hydrogen 3.118 N/A ALA 102.A N ALA 99.A O no hydrogen 3.117 N/A GLY 103.A N LYS 100.A O no hydrogen 2.706 N/A VAL 104.A N ALA 99.A O no hydrogen 2.871 N/A TYR 107.A N LEU 2.A O no hydrogen 2.900 N/A TYR 107.A OH GLU 105.A OE1 no hydrogen 3.152 N/A ILE 109.A N PHE 4.A O no hydrogen 2.689 N/A HIS 110.A ND1 ASP 85.A OD2 no hydrogen 2.808 N/A TYR 115.A N SER 113.A OG no hydrogen 3.169 N/A SER 116.A N SER 113.A O no hydrogen 3.198 N/A SER 116.A OG SER 113.A O no hydrogen 3.403 N/A ALA 117.A N SER 113.A O no hydrogen 2.903 N/A VAL 118.A N ILE 114.A O no hydrogen 3.210 N/A GLY 119.A N SER 116.A O no hydrogen 3.012 N/A ILE 120.A N ALA 117.A O no hydrogen 3.010 N/A THR 121.A N VAL 118.A O no hydrogen 2.876 N/A THR 121.A OG1 VAL 118.A O no hydrogen 2.681 N/A GLY 122.A N GLY 119.A O no hydrogen 3.020 N/A LEU 123.A N THR 121.A OG1 no hydrogen 3.423 N/A HIS 124.A N GLU 240.A OE2 no hydrogen 2.740 N/A LYS 127.A N HIS 124.A O no hydrogen 3.050 N/A LYS 127.A NZ LYS 235.A O no hydrogen 2.765 N/A LYS 127.A NZ HIS 237.A ND1 no hydrogen 2.803 N/A LYS 127.A NZ GLU 240.A OE1 no hydrogen 2.638 N/A PHE 128.A N ILE 125.A O no hydrogen 3.289 N/A GLY 129.A N HIS 159.A O no hydrogen 2.816 N/A LYS 130.A N ASN 153.A OD1 no hydrogen 3.049 N/A ALA 132.A N LEU 161.A O no hydrogen 3.150 N/A VAL 134.A N PHE 163.A O no hydrogen 3.001 N/A TYR 136.A N ASP 165.A OD2 no hydrogen 3.040 N/A TYR 136.A OH GLU 176.A OE1 no hydrogen 2.708 N/A GLU 138.A N TRP 141.A O no hydrogen 2.904 N/A TRP 141.A N GLU 138.A O no hydrogen 2.902 N/A TYR 147.A N THR 144.A O no hydrogen 2.880 N/A TYR 147.A OH GLU 184.A OE1 no hydrogen 2.644 N/A VAL 149.A N SER 145.A O no hydrogen 3.189 N/A ILE 150.A N TYR 146.A O no hydrogen 3.205 N/A LYS 151.A N TYR 147.A O no hydrogen 3.088 N/A GLU 152.A N ASP 148.A O no hydrogen 2.899 N/A ASN 153.A N VAL 149.A O no hydrogen 2.916 N/A ASN 153.A ND2 LYS 130.A O no hydrogen 2.701 N/A ASN 153.A ND2 THR 160.A OG1 no hydrogen 2.848 N/A ALA 154.A N ILE 150.A O no hydrogen 2.795 N/A GLU 155.A N LYS 151.A O no hydrogen 2.989 N/A ARG 156.A N ASN 153.A O no hydrogen 2.743 N/A GLY 157.A N ALA 154.A O no hydrogen 2.914 N/A LEU 158.A N ASN 153.A O no hydrogen 2.908 N/A HIS 159.A N LYS 127.A O no hydrogen 2.888 N/A HIS 159.A NE2 GLU 240.A OE2 no hydrogen 2.757 N/A THR 160.A N VAL 232.A O no hydrogen 2.915 N/A LEU 162.A N LEU 230.A O no hydrogen 2.733 N/A PHE 163.A N ALA 132.A O no hydrogen 2.836 N/A ASP 165.A N VAL 134.A O no hydrogen 3.220 N/A ILE 166.A N ASP 165.A OD1 no hydrogen 2.629 N/A LYS 167.A NZ GLU 138.A OE2 no hydrogen 3.383 N/A LYS 170.A N LYS 167.A O no hydrogen 2.895 N/A ARG 171.A N ALA 168.A O no hydrogen 2.925 N/A THR 173.A OG1 GLU 176.A OE2 no hydrogen 3.194 N/A ALA 174.A N HIS 228.A ND1 no hydrogen 3.116 N/A ASN 175.A ND2 ILE 219.A O no hydrogen 2.862 N/A ASN 175.A ND2 GLU 221.A O no hydrogen 2.731 N/A GLU 176.A N THR 173.A OG1 no hydrogen 3.201 N/A ALA 177.A N THR 173.A O no hydrogen 3.139 N/A LEU 179.A N GLU 176.A O no hydrogen 3.099 N/A LEU 180.A N ALA 177.A O no hydrogen 3.041 N/A LYS 182.A N GLU 178.A O no hydrogen 3.058 N/A VAL 183.A N LEU 179.A O no hydrogen 2.916 N/A GLU 184.A N LEU 180.A O no hydrogen 2.870 N/A ASP 185.A N LEU 181.A O no hydrogen 3.070 N/A LYS 187.A N GLU 184.A O no hydrogen 2.389 N/A LYS 187.A NZ ASP 185.A O no hydrogen 3.306 N/A GLY 188.A N TYR 147.A OH no hydrogen 3.055 N/A GLY 189.A N GLU 184.A OE2 no hydrogen 2.645 N/A VAL 190.A N GLU 184.A OE1 no hydrogen 2.772 N/A PHE 191.A N GLU 184.A OE1 no hydrogen 2.914 N/A THR 192.A N THR 195.A OG1 no hydrogen 2.851 N/A ASP 194.A N THR 192.A OG1 no hydrogen 3.123 N/A THR 195.A N THR 192.A O no hydrogen 3.044 N/A THR 195.A OG1 THR 192.A O no hydrogen 3.288 N/A VAL 197.A N GLY 213.A O no hydrogen 2.862 N/A VAL 198.A N ILE 231.A O no hydrogen 2.820 N/A VAL 199.A N ARG 211.A O no hydrogen 2.758 N/A LEU 200.A N ILE 229.A O no hydrogen 3.138 N/A ALA 201.A N THR 209.A O no hydrogen 2.924 N/A ARG 202.A N PRO 227.A O no hydrogen 2.989 N/A ARG 202.A NH1 PHE 223.A O no hydrogen 3.116 N/A ARG 202.A NH1 ASP 225.A O no hydrogen 2.919 N/A ARG 202.A NH2 THR 209.A OG1 no hydrogen 2.666 N/A SER 205.A N ARG 202.A O no hydrogen 3.167 N/A SER 205.A OG ARG 202.A O no hydrogen 2.804 N/A THR 209.A N ALA 201.A O no hydrogen 3.063 N/A THR 209.A OG1 PHE 223.A O no hydrogen 3.363 N/A ARG 211.A N VAL 199.A O no hydrogen 3.037 N/A ARG 211.A NE GLU 221.A OE1 no hydrogen 3.325 N/A ARG 211.A NE GLU 221.A OE2 no hydrogen 2.686 N/A ARG 211.A NH1 ALA 212.A O no hydrogen 3.222 N/A ARG 211.A NH1 ALA 248.A O no hydrogen 2.854 N/A ARG 211.A NH2 GLU 221.A OE1 no hydrogen 2.872 N/A ALA 212.A N ALA 248.A O no hydrogen 3.140 N/A GLY 213.A N VAL 197.A O no hydrogen 3.061 N/A VAL 215.A N THR 195.A O no hydrogen 2.956 N/A LYS 216.A N ASP 193.A O no hydrogen 2.871 N/A LYS 216.A NZ ASP 194.A OD1 no hydrogen 3.070 N/A ASP 217.A N TYR 214.A O no hydrogen 2.897 N/A LEU 218.A N TYR 214.A O no hydrogen 3.072 N/A ILE 219.A N VAL 215.A O no hydrogen 2.868 N/A GLU 221.A N LEU 218.A O no hydrogen 2.853 N/A GLY 224.A N ASP 222.A OD1 no hydrogen 3.475 N/A HIS 228.A NE2 GLY 224.A O no hydrogen 2.849 N/A ILE 229.A N LEU 200.A O no hydrogen 2.889 N/A LEU 230.A N LEU 162.A O no hydrogen 3.223 N/A ILE 231.A N VAL 198.A O no hydrogen 2.847 N/A VAL 232.A N THR 160.A O no hydrogen 3.030 N/A GLY 234.A N HIS 159.A ND1 no hydrogen 2.918 N/A LYS 235.A NZ VAL 259.A O no hydrogen 2.991 N/A HIS 237.A N GLU 240.A OE1 no hydrogen 2.753 N/A ALA 241.A N HIS 237.A O no hydrogen 3.135 N/A GLU 242.A N ILE 238.A O no hydrogen 2.938 N/A TYR 243.A N VAL 239.A O no hydrogen 3.060 N/A TYR 243.A OH ILE 120.A O no hydrogen 2.601 N/A LEU 244.A N GLU 240.A O no hydrogen 2.941 N/A VAL 245.A N ALA 241.A O no hydrogen 2.959 N/A GLU 246.A N GLU 242.A O no hydrogen 2.882 N/A ILE 247.A N TYR 243.A O no hydrogen 2.725 N/A ALA 248.A N LEU 244.A O no hydrogen 3.113 N/A ALA 250.A N LEU 244.A O no hydrogen 2.947 N/A ILE 254.A N PRO 251.A O no hydrogen 3.062 N/A LEU 255.A N ARG 252.A O no hydrogen 3.263 N/A ARG 256.A N GLU 253.A O no hydrogen 3.363 N/A ARG 256.A NH1 ASN 258.A OD1 no hydrogen 2.726 N/A