Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4e4q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N GLU 1.A OE1 no hydrogen 2.615 N/A ASP 4.A N GLU 1.A O no hydrogen 3.149 N/A LEU 5.A N GLU 1.A O no hydrogen 3.259 N/A ARG 6.A N SER 2.A O no hydrogen 2.894 N/A ARG 6.A NH1 GLN 214.A OE1 no hydrogen 2.775 N/A ARG 6.A NH2 GLN 214.A OE1 no hydrogen 3.016 N/A ALA 7.A N ALA 3.A O no hydrogen 3.390 N/A LEU 8.A N ASP 4.A O no hydrogen 3.223 N/A ALA 9.A N LEU 5.A O no hydrogen 3.026 N/A LYS 10.A N ARG 6.A O no hydrogen 2.813 N/A HIS 11.A N ALA 7.A O no hydrogen 2.891 N/A HIS 11.A NE2 SER 96.A O no hydrogen 2.895 N/A LEU 12.A N LEU 8.A O no hydrogen 2.995 N/A TYR 13.A N ALA 9.A O no hydrogen 3.154 N/A ASP 14.A N LYS 10.A O no hydrogen 3.114 N/A SER 15.A N HIS 11.A O no hydrogen 3.126 N/A SER 15.A OG HIS 11.A O no hydrogen 2.849 N/A SER 15.A OG SER 96.A OG no hydrogen 3.390 N/A TYR 16.A N LEU 12.A O no hydrogen 2.854 N/A TYR 16.A OH ASP 175.A OD1 no hydrogen 2.962 N/A ILE 17.A N TYR 13.A O no hydrogen 3.042 N/A LYS 18.A N ASP 14.A O no hydrogen 3.284 N/A LYS 18.A NZ ASP 14.A OD2 no hydrogen 2.883 N/A SER 19.A N SER 15.A O no hydrogen 2.938 N/A SER 19.A N TYR 16.A O no hydrogen 3.311 N/A SER 19.A OG SER 15.A O no hydrogen 3.006 N/A PHE 20.A N TYR 16.A O no hydrogen 3.135 N/A LYS 24.A N ASP 175.A OD1 no hydrogen 2.875 N/A LYS 24.A NZ LEU 173.A O no hydrogen 2.436 N/A ALA 25.A N ASP 175.A OD2 no hydrogen 3.414 N/A LYS 26.A N THR 23.A OG1 no hydrogen 3.232 N/A ALA 27.A N THR 23.A O no hydrogen 2.988 N/A ARG 28.A N LYS 24.A O no hydrogen 2.712 N/A ARG 28.A NH1 SER 126.A O no hydrogen 2.814 N/A ARG 28.A NH1 MET 128.A O no hydrogen 2.852 N/A ARG 28.A NH2 MET 128.A O no hydrogen 3.220 N/A ALA 29.A N ALA 25.A O no hydrogen 2.958 N/A ILE 30.A N LYS 26.A O no hydrogen 3.078 N/A LEU 31.A N ALA 27.A O no hydrogen 2.984 N/A THR 32.A N ARG 28.A O no hydrogen 2.933 N/A THR 32.A OG1 ARG 28.A O no hydrogen 2.637 N/A LYS 34.A N THR 32.A O no hydrogen 2.369 N/A THR 35.A N THR 32.A O no hydrogen 3.293 N/A THR 35.A OG1 ALA 29.A O no hydrogen 3.477 N/A THR 36.A OG1 LYS 34.A O no hydrogen 3.323 N/A PHE 41.A N GLN 139.A O no hydrogen 3.027 N/A ILE 43.A N PHE 141.A O no hydrogen 2.986 N/A ASN 47.A N ASP 45.A OD2 no hydrogen 3.286 N/A SER 48.A N ASP 45.A OD1 no hydrogen 2.753 N/A SER 48.A OG ASP 45.A OD1 no hydrogen 2.479 N/A LEU 49.A N ASP 45.A O no hydrogen 2.994 N/A MET 50.A N MET 46.A O no hydrogen 3.092 N/A MET 51.A N ASN 47.A O no hydrogen 2.820 N/A GLY 52.A N SER 48.A O no hydrogen 2.481 N/A GLU 53.A N LEU 49.A O no hydrogen 3.309 N/A GLU 53.A N MET 50.A O no hydrogen 2.827 N/A ASP 54.A N MET 51.A O no hydrogen 2.944 N/A LYS 55.A N MET 51.A O no hydrogen 3.424 N/A ILE 56.A N GLY 52.A O no hydrogen 2.934 N/A THR 62.A OG1 GLU 53.A OE1 no hydrogen 3.003 N/A SER 68.A N GLN 65.A O no hydrogen 2.570 N/A SER 68.A OG LEU 64.A O no hydrogen 3.145 N/A SER 68.A OG GLN 65.A O no hydrogen 3.140 N/A ARG 74.A N GLU 70.A O no hydrogen 3.126 N/A ILE 75.A N VAL 71.A O no hydrogen 3.004 N/A PHE 76.A N ALA 72.A O no hydrogen 2.996 N/A GLN 77.A N ILE 73.A O no hydrogen 2.718 N/A GLY 78.A N ARG 74.A O no hydrogen 2.943 N/A CYS 79.A N ILE 75.A O no hydrogen 2.658 N/A GLN 80.A N PHE 76.A O no hydrogen 2.856 N/A PHE 81.A N GLN 77.A O no hydrogen 2.911 N/A ARG 82.A N GLY 78.A O no hydrogen 3.255 N/A SER 83.A N CYS 79.A O no hydrogen 3.224 N/A SER 83.A OG CYS 79.A O no hydrogen 2.970 N/A VAL 84.A N GLN 80.A O no hydrogen 3.286 N/A GLU 85.A N PHE 81.A O no hydrogen 3.025 N/A ALA 86.A N ARG 82.A O no hydrogen 2.738 N/A VAL 87.A N SER 83.A O no hydrogen 2.913 N/A GLN 88.A N VAL 84.A O no hydrogen 3.069 N/A GLU 89.A N GLU 85.A O no hydrogen 2.952 N/A ILE 90.A N ALA 86.A O no hydrogen 2.509 N/A THR 91.A N VAL 87.A O no hydrogen 2.604 N/A THR 91.A OG1 VAL 87.A O no hydrogen 3.096 N/A GLU 92.A N GLN 88.A O no hydrogen 3.095 N/A TYR 93.A N GLU 89.A O no hydrogen 3.128 N/A TYR 93.A OH ALA 179.A O no hydrogen 2.675 N/A ALA 94.A N ILE 90.A O no hydrogen 2.980 N/A LYS 95.A N THR 91.A O no hydrogen 3.361 N/A SER 96.A N TYR 93.A O no hydrogen 3.064 N/A SER 96.A OG TYR 93.A O no hydrogen 2.728 N/A ILE 97.A N ALA 94.A O no hydrogen 2.820 N/A PHE 100.A N ILE 97.A O no hydrogen 2.927 N/A ASN 102.A N GLY 99.A O no hydrogen 3.013 N/A LEU 103.A N PHE 100.A O no hydrogen 3.106 N/A ASN 106.A N ASP 104.A OD2 no hydrogen 2.604 N/A GLN 108.A N ASP 104.A O no hydrogen 3.063 N/A VAL 109.A N LEU 105.A O no hydrogen 3.232 N/A THR 110.A N ASN 106.A O no hydrogen 2.925 N/A LEU 111.A N ASP 107.A O no hydrogen 2.623 N/A LEU 112.A N GLN 108.A O no hydrogen 3.124 N/A LYS 113.A N VAL 109.A O no hydrogen 2.994 N/A LYS 113.A NZ GLU 265.A O no hydrogen 3.066 N/A LYS 113.A NZ ILE 266.A O no hydrogen 3.282 N/A TYR 114.A N THR 110.A O no hydrogen 3.289 N/A GLY 115.A N LEU 111.A O no hydrogen 2.985 N/A VAL 116.A N LEU 112.A O no hydrogen 2.950 N/A ILE 119.A N GLY 115.A O no hydrogen 3.077 N/A ILE 119.A N VAL 116.A O no hydrogen 3.092 N/A ILE 120.A N VAL 116.A O no hydrogen 2.894 N/A TYR 121.A N HIS 117.A O no hydrogen 3.032 N/A THR 122.A OG1 GLU 118.A O no hydrogen 2.784 N/A MET 123.A N ILE 119.A O no hydrogen 2.918 N/A LEU 124.A N ILE 120.A O no hydrogen 2.723 N/A ALA 125.A N TYR 121.A O no hydrogen 3.260 N/A ALA 125.A N THR 122.A O no hydrogen 3.165 N/A SER 126.A N MET 123.A O no hydrogen 2.982 N/A SER 126.A OG MET 123.A O no hydrogen 3.264 N/A LEU 127.A N LEU 124.A O no hydrogen 2.893 N/A MET 128.A N ALA 125.A O no hydrogen 3.136 N/A ASN 129.A N GLY 132.A O no hydrogen 2.920 N/A ASP 131.A N ASN 129.A OD1 no hydrogen 2.496 N/A GLY 132.A N ASN 129.A O no hydrogen 2.801 N/A VAL 133.A N MET 142.A O no hydrogen 3.050 N/A LEU 134.A N LEU 127.A O no hydrogen 2.924 N/A ILE 135.A N GLY 140.A O no hydrogen 3.154 N/A SER 136.A OG GLN 139.A OE1 no hydrogen 3.025 N/A GLY 138.A N ILE 135.A O no hydrogen 3.104 N/A GLN 139.A N SER 136.A O no hydrogen 3.269 N/A GLY 140.A N ILE 135.A O no hydrogen 3.155 N/A PHE 141.A N PHE 41.A O no hydrogen 3.131 N/A MET 142.A N VAL 133.A O no hydrogen 2.821 N/A THR 143.A N ILE 43.A O no hydrogen 2.896 N/A THR 143.A OG1 ILE 43.A O no hydrogen 2.621 N/A ARG 144.A N ASP 131.A O no hydrogen 2.898 N/A ARG 144.A NE GLU 159.A OE1 no hydrogen 3.222 N/A ARG 144.A NE GLU 159.A OE2 no hydrogen 3.220 N/A ARG 144.A NH1 LYS 130.A O no hydrogen 2.974 N/A ARG 144.A NH2 GLU 159.A OE2 no hydrogen 2.631 N/A LEU 147.A N THR 143.A O no hydrogen 3.141 N/A LYS 148.A N ARG 144.A O no hydrogen 2.835 N/A LYS 148.A NZ GLU 145.A OE2 no hydrogen 3.195 N/A SER 149.A N PHE 146.A O no hydrogen 3.297 N/A SER 149.A OG GLU 145.A O no hydrogen 3.335 N/A SER 149.A OG PHE 146.A O no hydrogen 2.661 N/A LEU 150.A N LEU 147.A O no hydrogen 3.399 N/A ARG 151.A NE GLU 70.A OE1 no hydrogen 3.452 N/A ARG 151.A NE GLU 70.A OE2 no hydrogen 2.630 N/A ARG 151.A NH1 GLU 254.A OE1 no hydrogen 2.588 N/A ARG 151.A NH1 GLU 254.A OE2 no hydrogen 2.961 N/A ARG 151.A NH2 GLU 254.A OE2 no hydrogen 3.513 N/A GLY 155.A N ARG 151.A O no hydrogen 2.837 N/A ASP 156.A N PRO 153.A O no hydrogen 3.265 N/A PHE 157.A N PHE 154.A O no hydrogen 3.372 N/A LYS 161.A N MET 158.A O no hydrogen 2.652 N/A LYS 161.A NZ PHE 157.A O no hydrogen 2.902 N/A LYS 161.A NZ HIS 243.A ND1 no hydrogen 3.092 N/A PHE 162.A N MET 158.A O no hydrogen 3.019 N/A GLU 163.A N GLU 159.A O no hydrogen 3.062 N/A PHE 164.A N PRO 160.A O no hydrogen 3.231 N/A ALA 165.A N LYS 161.A O no hydrogen 2.942 N/A VAL 166.A N PHE 162.A O no hydrogen 2.967 N/A LYS 167.A NZ ASP 235.A OD1 no hydrogen 3.129 N/A PHE 168.A N PHE 164.A O no hydrogen 2.801 N/A ASN 169.A N ALA 165.A O no hydrogen 2.638 N/A ASN 169.A ND2 ALA 125.A O no hydrogen 2.948 N/A ALA 170.A N LYS 167.A O no hydrogen 3.189 N/A LEU 171.A N PHE 168.A O no hydrogen 3.156 N/A GLU 172.A N ASN 169.A O no hydrogen 2.907 N/A ASP 174.A N ASP 177.A OD2 no hydrogen 3.065 N/A SER 176.A OG ASP 174.A OD1 no hydrogen 2.462 N/A ASP 177.A N ASP 174.A OD1 no hydrogen 2.961 N/A LEU 178.A N ASP 174.A O no hydrogen 2.964 N/A ALA 179.A N ASP 175.A O no hydrogen 2.747 N/A PHE 181.A N ASP 177.A O no hydrogen 3.132 N/A ILE 182.A N LEU 178.A O no hydrogen 2.657 N/A ALA 183.A N ALA 179.A O no hydrogen 3.350 N/A VAL 184.A N ILE 180.A O no hydrogen 3.011 N/A ILE 185.A N PHE 181.A O no hydrogen 3.131 N/A ILE 186.A N ILE 182.A O no hydrogen 3.343 N/A LEU 187.A N ALA 183.A O no hydrogen 3.123 N/A SER 188.A N ILE 186.A O no hydrogen 2.845 N/A SER 188.A OG ILE 185.A O no hydrogen 2.759 N/A ARG 191.A NE SER 188.A OG no hydrogen 3.051 N/A ARG 191.A NH1 GLU 118.A OE2 no hydrogen 3.280 N/A ARG 191.A NH2 GLU 118.A OE1 no hydrogen 2.697 N/A ARG 191.A NH2 ILE 185.A O no hydrogen 3.037 N/A ARG 191.A NH2 SER 188.A OG no hydrogen 3.330 N/A LEU 195.A N ASP 107.A OD1 no hydrogen 2.891 N/A ASN 196.A N ASP 107.A OD2 no hydrogen 3.186 N/A GLU 201.A N VAL 197.A O no hydrogen 2.906 N/A ASP 202.A N LYS 198.A O no hydrogen 3.005 N/A ILE 203.A N ILE 200.A O no hydrogen 3.176 N/A GLN 204.A N ILE 200.A O no hydrogen 3.120 N/A ASP 205.A N GLU 201.A O no hydrogen 3.025 N/A ASN 206.A N ILE 203.A O no hydrogen 2.818 N/A LEU 207.A N ILE 203.A O no hydrogen 3.066 N/A LEU 208.A N GLN 204.A O no hydrogen 2.830 N/A GLN 209.A N ASP 205.A O no hydrogen 3.238 N/A ALA 210.A N ASN 206.A O no hydrogen 2.794 N/A LEU 211.A N LEU 207.A O no hydrogen 2.774 N/A GLU 212.A N LEU 208.A O no hydrogen 2.773 N/A LEU 213.A N GLN 209.A O no hydrogen 2.984 N/A GLN 214.A N ALA 210.A O no hydrogen 2.879 N/A GLN 214.A NE2 ASP 177.A OD1 no hydrogen 2.755 N/A LEU 215.A N LEU 211.A O no hydrogen 2.947 N/A LYS 216.A N GLU 212.A O no hydrogen 3.087 N/A LEU 217.A N LEU 213.A O no hydrogen 2.890 N/A ASN 218.A N GLN 214.A O no hydrogen 2.847 N/A ASN 218.A ND2 ASP 174.A OD2 no hydrogen 2.912 N/A ASN 218.A ND2 ASP 177.A OD1 no hydrogen 2.786 N/A HIS 219.A N LEU 215.A O no hydrogen 2.902 N/A HIS 219.A NE2 ASP 177.A OD2 no hydrogen 2.770 N/A SER 222.A N HIS 219.A O no hydrogen 3.114 N/A LEU 225.A N SER 222.A O no hydrogen 3.328 N/A LYS 228.A N GLN 224.A O no hydrogen 3.136 N/A LEU 229.A N LEU 225.A O no hydrogen 2.875 N/A LEU 230.A N PHE 226.A O no hydrogen 3.281 N/A GLN 231.A N ALA 227.A O no hydrogen 3.073 N/A LYS 232.A N LYS 228.A O no hydrogen 3.227 N/A LYS 232.A N LEU 229.A O no hydrogen 2.999 N/A MET 233.A N LEU 230.A O no hydrogen 2.868 N/A THR 234.A N GLN 231.A O no hydrogen 2.861 N/A LEU 236.A N LYS 232.A O no hydrogen 3.073 N/A ARG 237.A N MET 233.A O no hydrogen 3.213 N/A GLN 238.A N THR 234.A O no hydrogen 2.988 N/A GLN 238.A NE2 THR 234.A O no hydrogen 3.267 N/A ILE 239.A N ASP 235.A O no hydrogen 3.099 N/A VAL 240.A N LEU 236.A O no hydrogen 3.166 N/A THR 241.A N ARG 237.A O no hydrogen 3.332 N/A GLU 242.A N GLN 238.A O no hydrogen 3.131 N/A HIS 243.A N ILE 239.A O no hydrogen 2.992 N/A VAL 244.A N VAL 240.A O no hydrogen 2.740 N/A GLN 245.A N THR 241.A O no hydrogen 3.002 N/A LEU 246.A N GLU 242.A O no hydrogen 3.035 N/A LEU 247.A N HIS 243.A O no hydrogen 2.750 N/A GLN 248.A N VAL 244.A O no hydrogen 3.143 N/A VAL 249.A N GLN 245.A O no hydrogen 3.224 N/A ILE 250.A N LEU 246.A O no hydrogen 3.374 N/A LYS 251.A N LEU 247.A O no hydrogen 3.216 N/A LYS 252.A N VAL 249.A O no hydrogen 3.116 N/A THR 253.A N VAL 249.A O no hydrogen 3.086 N/A THR 253.A OG1 VAL 249.A O no hydrogen 3.150 N/A THR 253.A OG1 ILE 250.A O no hydrogen 3.339 N/A ASP 256.A N ASP 256.A OD1 no hydrogen 2.485 N/A MET 257.A N GLU 254.A O no hydrogen 3.149 N/A LEU 262.A N HIS 260.A ND1 no hydrogen 3.029 N/A GLN 264.A N HIS 260.A O no hydrogen 2.861 N/A GLU 265.A N PRO 261.A O no hydrogen 2.545 N/A ILE 266.A N LEU 262.A O no hydrogen 3.335 N/A TYR 267.A N LEU 263.A O no hydrogen 3.295 N/A TYR 267.A OH HIS 117.A NE2 no hydrogen 2.633 N/A