Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bk9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 15.A N LEU 12.A O no hydrogen 3.376 N/A TYR 21.A N THR 17.A O no hydrogen 2.769 N/A LEU 22.A N TYR 18.A O no hydrogen 2.973 N/A ARG 23.A N GLY 20.A O no hydrogen 3.304 N/A LEU 24.A N GLY 19.A O no hydrogen 2.882 N/A LEU 27.A N ARG 23.A O no hydrogen 2.972 N/A LEU 28.A N LEU 24.A O no hydrogen 3.099 N/A SER 29.A N GLN 26.A O no hydrogen 3.362 N/A SER 29.A OG ASP 25.A O no hydrogen 2.598 N/A SER 29.A OG GLN 26.A O no hydrogen 3.349 N/A LEU 34.A N GLU 42.A OE2 no hydrogen 2.750 N/A SER 35.A N GLU 42.A OE1 no hydrogen 2.949 N/A SER 35.A OG GLU 42.A OE1 no hydrogen 2.677 N/A HIS 39.A NE2 ASP 41.A OD2 no hydrogen 3.097 N/A GLU 42.A N HIS 39.A O no hydrogen 3.266 N/A PHE 45.A N ASP 41.A O no hydrogen 3.368 N/A ILE 46.A N GLU 42.A O no hydrogen 2.977 N/A ILE 47.A N MET 43.A O no hydrogen 3.114 N/A GLN 48.A N LEU 44.A O no hydrogen 3.005 N/A GLN 48.A NE2 GLN 95.A O no hydrogen 2.927 N/A ALA 49.A N PHE 45.A O no hydrogen 3.396 N/A GLN 50.A N ILE 46.A O no hydrogen 2.870 N/A GLN 50.A NE2 ALA 30.A O no hydrogen 2.883 N/A THR 51.A N ILE 47.A O no hydrogen 2.878 N/A THR 51.A OG1 ILE 47.A O no hydrogen 2.683 N/A THR 51.A OG1 GLN 48.A O no hydrogen 3.040 N/A SER 52.A N GLN 48.A O no hydrogen 3.275 N/A SER 52.A OG GLN 48.A O no hydrogen 3.038 N/A GLU 53.A N ALA 49.A O no hydrogen 3.063 N/A LEU 54.A N GLN 50.A O no hydrogen 2.974 N/A TRP 55.A N THR 51.A O no hydrogen 3.092 N/A LEU 56.A N SER 52.A O no hydrogen 2.737 N/A LYS 57.A N GLU 53.A O no hydrogen 2.835 N/A LEU 58.A N LEU 54.A O no hydrogen 3.141 N/A LEU 59.A N TRP 55.A O no hydrogen 2.781 N/A ALA 60.A N LEU 56.A O no hydrogen 3.140 N/A HIS 61.A N LYS 57.A O no hydrogen 3.151 N/A GLU 62.A N LEU 58.A O no hydrogen 2.925 N/A LEU 63.A N LEU 59.A O no hydrogen 2.914 N/A ARG 64.A N ALA 60.A O no hydrogen 3.071 N/A ARG 64.A NH1 TYR 127.A OH no hydrogen 3.088 N/A ALA 65.A N HIS 61.A O no hydrogen 3.385 N/A ALA 66.A N GLU 62.A O no hydrogen 2.814 N/A ILE 67.A N LEU 63.A O no hydrogen 2.979 N/A VAL 68.A N ARG 64.A O no hydrogen 3.205 N/A HIS 69.A N ALA 65.A O no hydrogen 3.058 N/A HIS 69.A ND1 GLU 74.A OE2 no hydrogen 2.560 N/A LEU 70.A N ALA 66.A O no hydrogen 2.851 N/A GLN 71.A N ILE 67.A O no hydrogen 3.013 N/A GLN 71.A NE2 GLU 165.A OE1 no hydrogen 3.315 N/A ARG 72.A N VAL 68.A O no hydrogen 3.206 N/A ARG 72.A N HIS 69.A O no hydrogen 2.964 N/A ASP 73.A N LEU 70.A O no hydrogen 2.989 N/A GLU 74.A N HIS 69.A O no hydrogen 3.017 N/A CYS 78.A N GLU 74.A O no hydrogen 3.021 N/A CYS 78.A SG ALA 66.A O no hydrogen 3.507 N/A ARG 79.A N VAL 75.A O no hydrogen 2.843 N/A ARG 79.A NE ASP 219.A OD2 no hydrogen 2.855 N/A LYS 80.A N TRP 76.A O no hydrogen 2.974 N/A VAL 81.A N GLN 77.A O no hydrogen 3.008 N/A LEU 82.A N CYS 78.A O no hydrogen 2.845 N/A ALA 83.A N ARG 79.A O no hydrogen 2.938 N/A ALA 83.A N LYS 80.A O no hydrogen 3.194 N/A ARG 84.A N LYS 80.A O no hydrogen 3.459 N/A ARG 84.A NH1 GLU 62.A OE1 no hydrogen 3.520 N/A ARG 84.A NH1 GLU 62.A OE2 no hydrogen 3.240 N/A SER 85.A N VAL 81.A O no hydrogen 3.076 N/A SER 85.A OG VAL 81.A O no hydrogen 3.198 N/A LYS 86.A N LEU 82.A O no hydrogen 3.003 N/A LYS 86.A NZ ASP 219.A OD1 no hydrogen 3.006 N/A LYS 86.A NZ ASP 222.A OD2 no hydrogen 2.924 N/A GLN 87.A N ALA 83.A O no hydrogen 2.973 N/A VAL 88.A N ARG 84.A O no hydrogen 2.838 N/A LEU 89.A N SER 85.A O no hydrogen 2.993 N/A ARG 90.A N LYS 86.A O no hydrogen 2.929 N/A ARG 90.A NE GLN 87.A OE1 no hydrogen 3.389 N/A GLN 91.A N GLN 87.A O no hydrogen 2.961 N/A LEU 92.A N VAL 88.A O no hydrogen 3.104 N/A THR 93.A N LEU 89.A O no hydrogen 3.109 N/A THR 93.A OG1 LEU 89.A O no hydrogen 2.904 N/A GLU 94.A N ARG 90.A O no hydrogen 2.866 N/A GLN 95.A N GLN 91.A O no hydrogen 3.033 N/A GLN 95.A NE2 THR 51.A OG1 no hydrogen 3.075 N/A SER 97.A N GLU 94.A O no hydrogen 3.257 N/A VAL 98.A N GLN 95.A O no hydrogen 3.198 N/A GLU 100.A N TRP 96.A O no hydrogen 3.136 N/A THR 101.A N VAL 98.A O no hydrogen 3.388 N/A THR 101.A OG1 VAL 98.A O no hydrogen 2.638 N/A LEU 102.A N LEU 99.A O no hydrogen 2.989 N/A THR 103.A OG1 SER 105.A OG no hydrogen 3.331 N/A SER 105.A OG THR 103.A OG1 no hydrogen 3.331 N/A GLU 106.A N THR 103.A OG1 no hydrogen 3.359 N/A TYR 107.A N THR 103.A O no hydrogen 3.065 N/A MET 108.A N PRO 104.A O no hydrogen 3.126 N/A GLY 109.A N GLU 106.A O no hydrogen 3.120 N/A PHE 110.A N TYR 107.A O no hydrogen 2.923 N/A ARG 111.A N TYR 107.A O no hydrogen 2.696 N/A ARG 111.A NH2 ARG 246.A O no hydrogen 3.051 N/A VAL 113.A N PHE 110.A O no hydrogen 2.797 N/A LEU 114.A N ARG 111.A O no hydrogen 3.116 N/A GLY 115.A N ASP 112.A O no hydrogen 3.506 N/A SER 117.A N LEU 114.A O no hydrogen 3.107 N/A SER 117.A OG LEU 114.A O no hydrogen 2.563 N/A SER 118.A N GLN 121.A OE1 no hydrogen 3.334 N/A PHE 120.A N SER 118.A OG no hydrogen 3.240 N/A GLN 121.A N SER 118.A O no hydrogen 3.089 N/A GLN 121.A NE2 PRO 116.A O no hydrogen 2.959 N/A SER 122.A N GLY 119.A O no hydrogen 2.722 N/A SER 122.A OG GLU 53.A OE2 no hydrogen 2.565 N/A GLN 124.A NE2 GLN 124.A O no hydrogen 3.339 N/A TYR 125.A N SER 122.A OG no hydrogen 3.067 N/A TYR 125.A OH GLU 129.A OE2 no hydrogen 2.761 N/A ARG 126.A N SER 122.A O no hydrogen 3.392 N/A TYR 127.A N LEU 123.A O no hydrogen 3.087 N/A ILE 128.A N GLN 124.A O no hydrogen 3.270 N/A GLU 129.A N TYR 125.A O no hydrogen 3.015 N/A PHE 130.A N ARG 126.A O no hydrogen 3.081 N/A LEU 131.A N TYR 127.A O no hydrogen 2.859 N/A LEU 132.A N ILE 128.A O no hydrogen 2.989 N/A GLY 133.A N GLU 129.A O no hydrogen 3.196 N/A GLY 133.A N PHE 130.A O no hydrogen 2.938 N/A ASN 134.A N GLU 129.A O no hydrogen 2.819 N/A ASN 134.A ND2 GLU 129.A OE1 no hydrogen 2.792 N/A LYS 135.A NZ VAL 156.A O no hydrogen 3.468 N/A LYS 135.A NZ LEU 157.A O no hydrogen 2.948 N/A LYS 135.A NZ ALA 159.A O no hydrogen 2.410 N/A LYS 135.A NZ TRP 186.A O no hydrogen 2.846 N/A GLN 138.A N ASN 136.A OD1 no hydrogen 3.230 N/A MET 139.A N ASN 136.A O no hydrogen 3.114 N/A LEU 140.A N PRO 137.A O no hydrogen 3.096 N/A GLN 141.A N GLN 138.A O no hydrogen 3.248 N/A VAL 142.A N MET 139.A O no hydrogen 3.320 N/A PHE 143.A N LEU 140.A O no hydrogen 3.036 N/A ALA 144.A N GLN 141.A O no hydrogen 3.433 N/A ASP 146.A N PHE 143.A O no hydrogen 2.940 N/A GLY 149.A N ASP 146.A OD2 no hydrogen 3.150 N/A GLN 150.A N ASP 146.A O no hydrogen 2.992 N/A ALA 151.A N PRO 147.A O no hydrogen 2.877 N/A ARG 152.A N ALA 148.A O no hydrogen 2.842 N/A LEU 153.A N GLY 149.A O no hydrogen 3.074 N/A ARG 154.A N GLN 150.A O no hydrogen 2.989 N/A GLU 155.A N ALA 151.A O no hydrogen 3.372 N/A VAL 156.A N ARG 152.A O no hydrogen 3.439 N/A LEU 157.A N LEU 153.A O no hydrogen 2.807 N/A GLU 158.A N ARG 154.A O no hydrogen 2.941 N/A ALA 159.A N VAL 156.A O no hydrogen 3.319 N/A SER 161.A N GLU 164.A OE1 no hydrogen 3.061 N/A SER 161.A OG GLU 164.A OE1 no hydrogen 3.529 N/A LEU 162.A N LEU 131.A O no hydrogen 2.765 N/A TYR 163.A OH GLU 268.A OE2 no hydrogen 2.644 N/A GLU 164.A N SER 161.A OG no hydrogen 3.270 N/A GLU 165.A N SER 161.A O no hydrogen 2.857 N/A PHE 166.A N LEU 162.A O no hydrogen 3.039 N/A LEU 167.A N TYR 163.A O no hydrogen 3.010 N/A ARG 168.A N GLU 164.A O no hydrogen 3.094 N/A ARG 168.A NE GLU 165.A OE2 no hydrogen 3.418 N/A ARG 168.A NH1 TYR 181.A O no hydrogen 2.871 N/A ARG 168.A NH1 GLN 182.A O no hydrogen 2.929 N/A TYR 169.A N GLU 165.A O no hydrogen 2.890 N/A LEU 170.A N PHE 166.A O no hydrogen 2.846 N/A ALA 171.A N LEU 167.A O no hydrogen 3.058 N/A ARG 172.A N ARG 168.A O no hydrogen 3.205 N/A ARG 172.A N TYR 169.A O no hydrogen 3.121 N/A ARG 172.A NE ASP 73.A OD2 no hydrogen 2.875 N/A ARG 172.A NH2 ASP 73.A OD2 no hydrogen 3.164 N/A PHE 173.A N LEU 170.A O no hydrogen 3.082 N/A GLY 174.A N ALA 171.A O no hydrogen 3.448 N/A HIS 175.A N LEU 170.A O no hydrogen 3.381 N/A HIS 175.A NE2 GLU 213.A OE2 no hydrogen 2.793 N/A ILE 177.A N HIS 175.A O no hydrogen 2.912 N/A TYR 181.A N PRO 178.A O no hydrogen 3.389 N/A TYR 181.A OH ASP 193.A OD2 no hydrogen 2.614 N/A GLN 182.A N GLN 179.A O no hydrogen 3.074 N/A ALA 183.A N GLN 180.A O no hydrogen 3.049 N/A ARG 184.A NH2 GLU 164.A OE2 no hydrogen 3.055 N/A ARG 184.A NH2 ALA 188.A O no hydrogen 2.628 N/A THR 187.A N ASP 185.A OD2 no hydrogen 3.322 N/A THR 187.A OG1 ASP 185.A OD1 no hydrogen 3.361 N/A THR 187.A OG1 ASP 185.A OD2 no hydrogen 2.984 N/A ALA 188.A N ASP 185.A O no hydrogen 3.327 N/A HIS 190.A NE2 GLU 268.A OE1 no hydrogen 2.875 N/A HIS 190.A NE2 GLU 268.A OE2 no hydrogen 3.195 N/A ASP 193.A N GLU 268.A OE1 no hydrogen 2.516 N/A THR 195.A N ASP 193.A OD1 no hydrogen 3.184 N/A THR 195.A OG1 ASP 193.A OD1 no hydrogen 2.768 N/A LEU 196.A N ASP 193.A O no hydrogen 3.117 N/A ARG 197.A N ASP 194.A O no hydrogen 3.160 N/A ARG 197.A NH2 ASP 271.A O no hydrogen 3.046 N/A ARG 197.A NH2 THR 274.A OG1 no hydrogen 3.268 N/A ARG 197.A NH2 SER 275.A OG no hydrogen 2.637 N/A PHE 200.A N LEU 196.A O no hydrogen 3.342 N/A PHE 200.A N ARG 197.A O no hydrogen 3.210 N/A GLU 201.A N ARG 197.A O no hydrogen 2.995 N/A ARG 202.A N PRO 198.A O no hydrogen 3.301 N/A ILE 203.A N VAL 199.A O no hydrogen 3.323 N/A TYR 204.A N PHE 200.A O no hydrogen 3.227 N/A TYR 204.A OH GLU 218.A OE2 no hydrogen 2.334 N/A GLU 205.A N GLU 201.A O no hydrogen 3.001 N/A ASN 206.A N ARG 202.A O no hydrogen 2.956 N/A ARG 209.A N ASN 206.A OD1 no hydrogen 2.843 N/A TYR 210.A N ASN 206.A O no hydrogen 2.745 N/A GLU 213.A N GLU 213.A OE1 no hydrogen 2.779 N/A TYR 214.A N TYR 210.A O no hydrogen 2.935 N/A SER 215.A N TRP 211.A O no hydrogen 2.970 N/A SER 215.A OG TRP 211.A O no hydrogen 3.314 N/A LEU 216.A N ARG 212.A O no hydrogen 2.969 N/A CYS 217.A N GLU 213.A O no hydrogen 2.847 N/A CYS 217.A SG GLU 213.A O no hydrogen 3.288 N/A GLU 218.A N TYR 214.A O no hydrogen 3.059 N/A ASP 219.A N SER 215.A O no hydrogen 2.954 N/A LEU 220.A N LEU 216.A O no hydrogen 2.992 N/A VAL 221.A N CYS 217.A O no hydrogen 3.091 N/A ASP 222.A N GLU 218.A O no hydrogen 2.877 N/A VAL 223.A N ASP 219.A O no hydrogen 2.949 N/A GLU 224.A N LEU 220.A O no hydrogen 2.974 N/A THR 225.A N VAL 221.A O no hydrogen 3.045 N/A THR 225.A OG1 VAL 221.A O no hydrogen 2.832 N/A GLN 226.A N ASP 222.A O no hydrogen 2.971 N/A GLN 226.A NE2 THR 93.A OG1 no hydrogen 3.253 N/A PHE 227.A N VAL 223.A O no hydrogen 2.990 N/A GLN 228.A N GLU 224.A O no hydrogen 3.002 N/A LEU 229.A N THR 225.A O no hydrogen 3.087 N/A TRP 230.A N GLN 226.A O no hydrogen 2.965 N/A ARG 231.A N PHE 227.A O no hydrogen 2.923 N/A ARG 231.A NH1 GLU 129.A OE2 no hydrogen 2.624 N/A PHE 232.A N GLN 228.A O no hydrogen 3.099 N/A ARG 233.A N LEU 229.A O no hydrogen 3.176 N/A ARG 233.A NH2 THR 93.A O no hydrogen 3.399 N/A ARG 233.A NH2 SER 97.A OG no hydrogen 2.956 N/A HIS 234.A N TRP 230.A O no hydrogen 3.105 N/A MET 235.A N ARG 231.A O no hydrogen 2.994 N/A ARG 236.A N PHE 232.A O no hydrogen 2.659 N/A THR 237.A N ARG 233.A O no hydrogen 2.991 N/A THR 237.A OG1 ARG 233.A O no hydrogen 2.564 N/A VAL 238.A N HIS 234.A O no hydrogen 2.853 N/A MET 239.A N MET 235.A O no hydrogen 2.981 N/A ARG 240.A N ARG 236.A O no hydrogen 3.077 N/A VAL 241.A N THR 237.A O no hydrogen 2.839 N/A VAL 241.A N VAL 238.A O no hydrogen 3.152 N/A ILE 242.A N VAL 238.A O no hydrogen 2.941 N/A GLY 243.A N MET 239.A O no hydrogen 3.139 N/A LYS 245.A N ILE 242.A O no hydrogen 3.360 N/A ARG 246.A NH1 GLY 250.A O no hydrogen 2.644 N/A ARG 246.A NH2 GLY 250.A O no hydrogen 2.823 N/A GLY 247.A N SER 251.A O no hydrogen 2.886 N/A THR 248.A OG1 SER 117.A O no hydrogen 2.617 N/A GLY 250.A N GLY 247.A O no hydrogen 3.211 N/A GLY 253.A N SER 251.A OG no hydrogen 2.765 N/A LEU 257.A N GLY 253.A O no hydrogen 2.928 N/A GLN 258.A N VAL 254.A O no hydrogen 2.783 N/A GLN 259.A N GLY 255.A O no hydrogen 3.303 N/A LEU 261.A N LEU 257.A O no hydrogen 3.362 N/A LEU 263.A N ALA 260.A O no hydrogen 3.164 N/A PHE 265.A N GLU 224.A OE2 no hydrogen 3.126 N/A PHE 266.A N GLU 224.A OE1 no hydrogen 3.098 N/A GLU 268.A N GLU 268.A OE2 no hydrogen 2.990 N/A LEU 269.A N PHE 266.A O no hydrogen 3.121 N/A PHE 270.A N PRO 267.A O no hydrogen 3.246 N/A ASP 271.A N PRO 267.A O no hydrogen 2.926 N/A VAL 272.A N GLU 268.A O no hydrogen 3.033 N/A ARG 273.A N PHE 270.A O no hydrogen 3.133 N/A ARG 273.A NH1 TYR 204.A OH no hydrogen 3.397 N/A ARG 273.A NH1 GLU 218.A OE2 no hydrogen 2.675 N/A ARG 273.A NH2 TYR 204.A OH no hydrogen 2.832 N/A ARG 273.A NH2 LEU 269.A O no hydrogen 2.656 N/A THR 274.A N ASP 271.A O no hydrogen 3.215 N/A THR 274.A OG1 ASP 271.A O no hydrogen 3.267 N/A SER 275.A N VAL 272.A O no hydrogen 3.151 N/A SER 275.A OG GLU 201.A OE2 no hydrogen 2.400 N/A SER 275.A OG VAL 272.A O no hydrogen 3.262 N/A VAL 276.A N VAL 272.A O no hydrogen 2.998 N/A GLY 277.A N GLU 205.A OE2 no hydrogen 3.094 N/A