Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u4s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N LYS 47.A O no hydrogen 2.812 N/A VAL 4.A N ASP 81.A OD2 no hydrogen 2.855 N/A VAL 5.A N LYS 49.A O no hydrogen 3.002 N/A THR 6.A N ILE 82.A O no hydrogen 2.820 N/A THR 7.A N THR 51.A O no hydrogen 3.028 N/A THR 7.A OG1 ILE 84.A O no hydrogen 2.759 N/A ILE 8.A N THR 7.A OG1 no hydrogen 2.827 N/A GLU 10.A N VAL 14.A O no hydrogen 3.116 N/A TYR 13.A N GLU 10.A O no hydrogen 2.734 N/A VAL 14.A N GLU 10.A O no hydrogen 2.991 N/A MET 15.A N GLU 30.A O no hydrogen 2.716 N/A LYS 17.A N ARG 28.A O no hydrogen 2.894 N/A LYS 17.A NZ GLU 27.A O no hydrogen 2.966 N/A LYS 17.A NZ GLU 27.A OE1 no hydrogen 3.166 N/A HIS 20.A N LYS 17.A O no hydrogen 3.108 N/A GLU 21.A N GLU 21.A OE1.A no hydrogen 2.863 N/A MET 22.A N ASN 19.A O no hydrogen 3.220 N/A LEU 23.A N HIS 20.A O no hydrogen 2.825 N/A ASN 26.A ND2 TYR 48.A O no hydrogen 2.993 N/A ARG 28.A N GLY 25.A O no hydrogen 3.130 N/A ARG 28.A NE GLY 25.A O no hydrogen 2.837 N/A TYR 29.A N ASN 26.A O no hydrogen 3.220 N/A GLU 30.A N MET 15.A O no hydrogen 2.863 N/A TYR 32.A N PRO 12.A O no hydrogen 2.890 N/A CYS 33.A N TYR 13.A O no hydrogen 2.836 N/A ASP 35.A N GLY 31.A O no hydrogen 2.984 N/A LEU 36.A N TYR 32.A O no hydrogen 2.842 N/A ALA 37.A N CYS 33.A O no hydrogen 2.889 N/A ALA 38.A N VAL 34.A O no hydrogen 3.213 N/A GLU 39.A N ASP 35.A O no hydrogen 3.060 N/A ILE 40.A N LEU 36.A O no hydrogen 2.844 N/A ALA 41.A N ALA 37.A O no hydrogen 2.911 N/A LYS 42.A N ALA 38.A O no hydrogen 3.040 N/A LYS 42.A NZ GLU 39.A OE1 no hydrogen 3.400 N/A HIS 43.A N GLU 39.A O no hydrogen 3.024 N/A CYS 44.A N ILE 40.A O no hydrogen 2.835 N/A CYS 44.A SG ILE 40.A O no hydrogen 3.399 N/A GLY 45.A N ALA 41.A O no hydrogen 2.657 N/A PHE 46.A N ALA 41.A O no hydrogen 3.138 N/A LYS 49.A N VAL 3.A O no hydrogen 2.837 N/A LEU 50.A N ASN 26.A OD1 no hydrogen 2.810 N/A THR 51.A N VAL 5.A O no hydrogen 2.831 N/A THR 51.A OG1 VAL 5.A O no hydrogen 3.018 N/A VAL 53.A N THR 7.A O no hydrogen 2.830 N/A GLY 54.A N GLU 74.A OE2 no hydrogen 3.449 N/A GLY 56.A N VAL 53.A O no hydrogen 3.029 N/A LYS 57.A N ASP 55.A OD1 no hydrogen 2.884 N/A LYS 57.A NZ SER 137.A OG no hydrogen 3.148 N/A TYR 58.A OH GLU 10.A OE1 no hydrogen 2.487 N/A GLY 59.A N SER 137.A O no hydrogen 2.996 N/A ALA 60.A N ASN 69.A OD1 no hydrogen 2.838 N/A ASP 62.A N ILE 67.A O no hydrogen 2.987 N/A ASP 64.A N ASP 62.A OD1 no hydrogen 2.954 N/A THR 65.A N ASP 62.A OD1 no hydrogen 2.948 N/A THR 65.A OG1 ASP 62.A OD1 no hydrogen 3.362 N/A LYS 66.A N ASP 62.A O no hydrogen 2.986 N/A ILE 67.A N THR 65.A OG1 no hydrogen 3.096 N/A TRP 68.A N TYR 77.A OH no hydrogen 3.061 N/A ASN 69.A N ALA 60.A O no hydrogen 3.072 N/A GLY 70.A N ASP 55.A OD2 no hydrogen 2.899 N/A MET 71.A N LYS 57.A O no hydrogen 3.100 N/A VAL 72.A N TYR 58.A O no hydrogen 3.188 N/A GLY 73.A N ASN 69.A O no hydrogen 2.932 N/A GLU 74.A N GLY 70.A O no hydrogen 3.056 N/A LEU 75.A N MET 71.A O no hydrogen 3.146 N/A VAL 76.A N VAL 72.A O no hydrogen 2.861 N/A TYR 77.A N GLY 73.A O no hydrogen 2.830 N/A GLY 78.A N LEU 75.A O no hydrogen 3.388 N/A LYS 79.A N GLU 74.A O no hydrogen 2.776 N/A ALA 80.A N GLU 74.A O no hydrogen 3.064 N/A ASP 81.A N VAL 4.A O no hydrogen 2.848 N/A ILE 82.A N VAL 4.A O no hydrogen 3.237 N/A ALA 83.A N ALA 220.A O no hydrogen 2.751 N/A ILE 84.A N THR 6.A O no hydrogen 3.148 N/A LEU 87.A N ALA 85.A O no hydrogen 2.702 N/A THR 88.A OG1 SER 139.A OG no hydrogen 3.235 N/A THR 88.A OG1 GLU 190.A OE2 no hydrogen 2.643 N/A ILE 89.A N GLY 216.A O no hydrogen 2.944 N/A ARG 93.A N THR 90.A OG1 no hydrogen 3.245 N/A ARG 93.A NH1 THR 88.A O no hydrogen 2.937 N/A ARG 93.A NH2 GLY 59.A O no hydrogen 2.988 N/A GLU 94.A N THR 90.A O no hydrogen 2.921 N/A GLU 95.A N TYR 91.A O no hydrogen 3.177 N/A VAL 96.A N ARG 93.A O no hydrogen 2.907 N/A ILE 97.A N ARG 93.A O no hydrogen 2.850 N/A ASP 98.A N THR 221.A O no hydrogen 2.817 N/A SER 100.A N ILE 219.A O no hydrogen 2.757 N/A SER 100.A OG LYS 101.A O no hydrogen 2.718 N/A LYS 101.A N ASN 232.A OD1 no hydrogen 2.736 N/A PHE 103.A N TYR 217.A O no hydrogen 2.905 N/A LEU 106.A N LYS 215.A O no hydrogen 3.015 N/A GLY 107.A N SER 191.A OG no hydrogen 2.933 N/A ILE 108.A N ASP 213.A OD1 no hydrogen 2.771 N/A SER 109.A N LEU 189.A O no hydrogen 2.753 N/A SER 109.A OG LEU 189.A O no hydrogen 2.827 N/A MET 111.A N TYR 187.A O no hydrogen 2.812 N/A ILE 112.A N MET 206.A O no hydrogen 3.026 N/A LYS 114.A N ASP 204.A O no hydrogen 2.817 N/A LYS 114.A NZ CYS 203.A O no hydrogen 2.980 N/A THR 116.A N LYS 113.A O no hydrogen 3.067 N/A THR 116.A OG1 LYS 113.A O no hydrogen 2.709 N/A ILE 118.A N THR 116.A O no hydrogen 2.795 N/A GLU 119.A N ASP 123.A OD2 no hydrogen 2.885 N/A ASP 123.A N SER 120.A OG no hydrogen 2.867 N/A LEU 124.A N SER 120.A O no hydrogen 3.154 N/A SER 125.A N ALA 121.A O no hydrogen 2.955 N/A SER 125.A OG ALA 121.A O no hydrogen 3.567 N/A SER 125.A OG GLU 122.A O no hydrogen 2.578 N/A LYS 126.A N ASP 123.A O no hydrogen 3.294 N/A GLN 127.A N LEU 124.A O no hydrogen 3.428 N/A GLN 127.A NE2 LEU 124.A O no hydrogen 3.047 N/A GLN 127.A NE2 ILE 130.A O no hydrogen 2.849 N/A ILE 130.A N GLN 127.A OE1 no hydrogen 2.641 N/A ALA 131.A N LYS 184.A O no hydrogen 2.800 N/A TYR 132.A N TYR 158.A OH no hydrogen 3.440 N/A GLY 133.A N ALA 186.A O no hydrogen 3.297 N/A THR 134.A OG1 LEU 135.A O no hydrogen 3.285 N/A ASP 136.A N VAL 168.A O no hydrogen 2.860 N/A SER 139.A OG THR 88.A OG1 no hydrogen 3.235 N/A LYS 141.A NZ ASP 136.A OD1 no hydrogen 2.809 N/A GLU 142.A N GLY 138.A O no hydrogen 3.222 N/A PHE 143.A N SER 139.A O no hydrogen 2.836 N/A PHE 144.A N THR 140.A O no hydrogen 3.207 N/A ARG 145.A N LYS 141.A O no hydrogen 3.017 N/A ARG 145.A NH1 GLU 142.A OE1.A no hydrogen 2.667 N/A ARG 145.A NH1 GLU 142.A OE1.B no hydrogen 2.601 N/A ARG 146.A N GLU 142.A O no hydrogen 3.068 N/A SER 147.A N PHE 144.A O no hydrogen 3.341 N/A ILE 149.A N SER 147.A OG no hydrogen 3.223 N/A ASP 153.A N ILE 149.A O no hydrogen 2.745 N/A LYS 154.A N ALA 150.A O no hydrogen 2.959 N/A MET 155.A N VAL 151.A O no hydrogen 2.954 N/A TRP 156.A N PHE 152.A O no hydrogen 2.855 N/A THR 157.A N ASP 153.A O no hydrogen 2.966 N/A THR 157.A OG1 ASP 153.A O no hydrogen 3.058 N/A TYR 158.A N LYS 154.A O no hydrogen 3.219 N/A MET 159.A N MET 155.A O no hydrogen 2.897 N/A ARG 160.A N TRP 156.A O no hydrogen 2.956 N/A SER 161.A N TYR 158.A O no hydrogen 3.330 N/A SER 161.A OG.B THR 157.A O no hydrogen 3.402 N/A ALA 162.A N MET 159.A O no hydrogen 3.344 N/A PHE 167.A N SER 165.A OG no hydrogen 3.188 N/A VAL 168.A N THR 134.A O no hydrogen 3.082 N/A ARG 169.A N GLU 173.A OE1 no hydrogen 3.276 N/A THR 171.A OG1 GLU 10.A OE1 no hydrogen 3.133 N/A THR 171.A OG1 GLU 10.A OE2 no hydrogen 2.923 N/A GLU 173.A N THR 170.A O no hydrogen 3.080 N/A GLU 173.A N THR 170.A OG1 no hydrogen 3.326 N/A GLY 174.A N THR 170.A O no hydrogen 3.244 N/A VAL 175.A N THR 171.A O no hydrogen 2.993 N/A ALA 176.A N ALA 172.A O no hydrogen 2.986 N/A ARG 177.A N GLU 173.A O no hydrogen 2.964 N/A ARG 177.A NH1 SER 165.A O no hydrogen 2.788 N/A ARG 177.A NH2 SER 165.A O no hydrogen 3.276 N/A VAL 178.A N GLY 174.A O no hydrogen 2.995 N/A ARG 179.A N VAL 175.A O no hydrogen 2.930 N/A ARG 179.A NE ASP 204.A OD1 no hydrogen 2.953 N/A LYS 180.A N ALA 176.A O no hydrogen 2.995 N/A LYS 180.A N ARG 177.A O no hydrogen 3.343 N/A SER 181.A OG.A ARG 177.A O no hydrogen 2.671 N/A SER 181.A OG.B ARG 177.A O no hydrogen 3.343 N/A LYS 184.A N SER 181.A O no hydrogen 2.853 N/A TYR 185.A OH VAL 166.A O no hydrogen 2.623 N/A ALA 186.A N ALA 131.A O no hydrogen 2.774 N/A TYR 187.A N MET 111.A O no hydrogen 2.898 N/A LEU 188.A N GLY 133.A O no hydrogen 2.735 N/A LEU 189.A N SER 109.A O no hydrogen 3.000 N/A SER 191.A N GLY 107.A O no hydrogen 2.745 N/A SER 191.A OG GLY 107.A O no hydrogen 3.224 N/A THR 192.A OG1 TYR 13.A OH no hydrogen 3.231 N/A THR 192.A OG1 TYR 217.A OH no hydrogen 2.710 N/A ASN 194.A N GLU 190.A O no hydrogen 2.991 N/A ASN 194.A ND2 SER 109.A OG no hydrogen 2.930 N/A ASN 194.A ND2 ILE 110.A O no hydrogen 3.052 N/A GLU 195.A N SER 191.A O no hydrogen 2.794 N/A TYR 196.A N THR 192.A O no hydrogen 3.221 N/A ILE 197.A N MET 193.A O no hydrogen 3.041 N/A GLU 198.A N ASN 194.A O no hydrogen 2.918 N/A GLN 199.A N TYR 196.A O no hydrogen 3.198 N/A ARG 200.A N ILE 197.A O no hydrogen 3.042 N/A LYS 201.A N GLU 255.A OE2 no hydrogen 2.636 N/A CYS 203.A N ARG 200.A O no hydrogen 3.024 N/A CYS 203.A SG ARG 200.A O no hydrogen 3.987 N/A CYS 203.A SG GLU 255.A O no hydrogen 3.258 N/A MET 206.A N ILE 112.A O no hydrogen 2.963 N/A LYS 207.A N GLU 198.A OE2 no hydrogen 3.054 N/A LYS 207.A NZ GLY 209.A O no hydrogen 2.984 N/A LYS 207.A NZ ASN 211.A OD1 no hydrogen 2.880 N/A VAL 208.A N ILE 110.A O no hydrogen 3.069 N/A LEU 212.A N ILE 108.A O no hydrogen 2.737 N/A LYS 215.A N LEU 106.A O no hydrogen 2.833 N/A LYS 215.A NZ ASP 213.A OD2 no hydrogen 2.742 N/A TYR 217.A N MET 104.A O no hydrogen 2.859 N/A TYR 217.A OH GLU 190.A OE1 no hydrogen 2.775 N/A TYR 217.A OH THR 192.A OG1 no hydrogen 2.710 N/A GLY 218.A N LEU 87.A O no hydrogen 3.118 N/A ILE 219.A N SER 100.A OG no hydrogen 2.928 N/A ALA 220.A N ALA 83.A O no hydrogen 3.156 N/A THR 221.A N ASP 98.A O no hydrogen 2.898 N/A LYS 223.A NZ GLU 95.A O no hydrogen 3.216 N/A GLY 224.A N ASP 98.A OD2 no hydrogen 3.444 N/A SER 225.A N PRO 222.A O no hydrogen 3.094 N/A LEU 227.A N SER 225.A OG no hydrogen 2.990 N/A GLY 228.A N SER 225.A O no hydrogen 3.436 N/A VAL 231.A N LEU 227.A O no hydrogen 3.055 N/A ASN 232.A N GLY 228.A O no hydrogen 3.008 N/A LEU 233.A N ASN 229.A O no hydrogen 3.040 N/A ALA 234.A N ALA 230.A O no hydrogen 2.869 N/A VAL 235.A N VAL 231.A O no hydrogen 2.961 N/A LEU 236.A N ASN 232.A O no hydrogen 3.199 N/A LYS 237.A N LEU 233.A O no hydrogen 2.918 N/A LEU 238.A N ALA 234.A O no hydrogen 2.905 N/A SER 239.A N VAL 235.A O no hydrogen 2.874 N/A GLU 240.A N LEU 236.A O no hydrogen 2.903 N/A GLN 241.A N LYS 237.A O no hydrogen 2.911 N/A GLY 242.A N SER 239.A O no hydrogen 3.031 N/A LEU 243.A N LEU 238.A O no hydrogen 3.072 N/A LYS 246.A N GLY 242.A O no hydrogen 3.138 N/A LEU 247.A N LEU 243.A O no hydrogen 2.945 N/A LYS 248.A N LEU 244.A O no hydrogen 3.047 N/A ASN 249.A N ASP 245.A O no hydrogen 2.956 N/A LYS 250.A N LYS 246.A O no hydrogen 2.925 N/A LYS 250.A NZ ASP 35.A OD2 no hydrogen 2.882 N/A TRP 251.A N LEU 247.A O no hydrogen 3.091 N/A TRP 251.A NE1 ASP 35.A OD2 no hydrogen 2.859 N/A TRP 252.A N LYS 248.A O no hydrogen 2.921 N/A TRP 252.A NE1 THR 192.A O no hydrogen 2.890 N/A CYS 256.A SG GLU 198.A O no hydrogen 3.688 N/A