Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u40_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N ASP 4.A OD2 no hydrogen 2.901 N/A ILE 8.A N PRO 5.A O no hydrogen 2.785 N/A PHE 9.A N PRO 5.A O no hydrogen 3.012 N/A GLU 10.A N ARG 27.A O no hydrogen 3.005 N/A VAL 12.A N LYS 25.A O no hydrogen 2.915 N/A GLU 13.A N LYS 25.A O no hydrogen 3.456 N/A VAL 15.A N VAL 23.A O no hydrogen 2.898 N/A TYR 20.A OH ASP 41.A O no hydrogen 3.221 N/A GLN 22.A N VAL 39.A O no hydrogen 3.042 N/A VAL 23.A N GLY 16.A O no hydrogen 2.774 N/A TYR 24.A N ILE 37.A O no hydrogen 2.762 N/A LYS 25.A N GLU 13.A O no hydrogen 2.776 N/A LYS 25.A NZ GLU 13.A OE2 no hydrogen 3.168 N/A GLY 26.A N ALA 35.A O no hydrogen 2.725 N/A ARG 27.A N GLU 10.A O no hydrogen 3.068 N/A ARG 27.A NH2 GLU 10.A OE2 no hydrogen 2.670 N/A HIS 28.A N GLN 33.A O no hydrogen 2.843 N/A HIS 28.A ND1 THR 31.A OG1 no hydrogen 2.771 N/A VAL 29.A N ILE 8.A O no hydrogen 2.887 N/A THR 31.A N HIS 28.A O no hydrogen 3.182 N/A THR 31.A OG1 HIS 28.A ND1 no hydrogen 2.771 N/A GLY 32.A N HIS 28.A O no hydrogen 2.763 N/A ALA 35.A N GLY 26.A O no hydrogen 2.821 N/A ALA 36.A N MET 89.A O no hydrogen 2.709 N/A ILE 37.A N TYR 24.A O no hydrogen 2.819 N/A LYS 38.A N LEU 87.A O no hydrogen 2.739 N/A LYS 38.A NZ ASP 155.A OD1 no hydrogen 3.163 N/A LYS 38.A NZ ASP 155.A OD2 no hydrogen 3.115 N/A VAL 39.A N GLN 22.A O no hydrogen 2.781 N/A MET 40.A N LEU 85.A O no hydrogen 3.147 N/A VAL 42.A N ASP 83.A O no hydrogen 2.957 N/A THR 43.A N GLU 46.A OE1 no hydrogen 3.010 N/A THR 43.A OG1 ASP 45.A OD1 no hydrogen 2.961 N/A THR 43.A OG1 ASP 45.A OD2 no hydrogen 3.169 N/A GLU 46.A N THR 43.A O no hydrogen 3.169 N/A GLU 47.A N GLU 44.A O no hydrogen 3.342 N/A GLU 48.A N GLU 48.A OE1 no hydrogen 2.835 N/A ILE 50.A N GLU 46.A O no hydrogen 3.127 N/A LYS 51.A N GLU 47.A O no hydrogen 3.227 N/A GLU 53.A N GLU 49.A O no hydrogen 3.047 N/A ILE 54.A N ILE 50.A O no hydrogen 2.869 N/A ASN 55.A N LYS 51.A O no hydrogen 3.227 N/A MET 56.A N LEU 52.A O no hydrogen 3.124 N/A LEU 57.A N GLU 53.A O no hydrogen 2.851 N/A LYS 58.A N ILE 54.A O no hydrogen 2.963 N/A LYS 59.A N ASN 55.A O no hydrogen 3.140 N/A LYS 59.A NZ TYR 60.A OH no hydrogen 3.452 N/A TYR 60.A N MET 56.A O no hydrogen 3.256 N/A SER 61.A N LYS 58.A O no hydrogen 3.454 N/A SER 61.A OG LEU 57.A O no hydrogen 2.761 N/A SER 61.A OG LYS 58.A O no hydrogen 3.140 N/A ARG 64.A NH2 GLU 150.A OE1 no hydrogen 3.368 N/A ASN 65.A N HIS 63.A ND1 no hydrogen 3.011 N/A ASN 65.A ND2 GLU 120.A OE2 no hydrogen 2.959 N/A ASN 65.A ND2 VAL 151.A O no hydrogen 2.792 N/A ILE 66.A N HIS 63.A O no hydrogen 3.043 N/A ALA 67.A N LEU 153.A O no hydrogen 2.871 N/A THR 68.A N GLU 90.A OE1 no hydrogen 3.073 N/A THR 68.A OG1 SER 61.A O no hydrogen 3.361 N/A THR 68.A OG1 GLU 90.A OE1 no hydrogen 3.524 N/A TYR 69.A N SER 61.A OG no hydrogen 2.996 N/A TYR 70.A N VAL 88.A O no hydrogen 2.764 N/A GLY 71.A N VAL 88.A O no hydrogen 3.197 N/A PHE 73.A N TRP 86.A O no hydrogen 2.749 N/A ILE 74.A N ARG 3.A O no hydrogen 3.029 N/A LYS 75.A N GLN 84.A O no hydrogen 2.783 N/A LYS 76.A NZ ASP 83.A OD1 no hydrogen 2.780 N/A SER 77.A N ASP 83.A OD2 no hydrogen 2.895 N/A SER 77.A OG ASP 82.A O no hydrogen 3.029 N/A HIS 81.A N PRO 78.A O no hydrogen 3.124 N/A GLN 84.A N LYS 75.A O no hydrogen 3.020 N/A LEU 85.A N MET 40.A O no hydrogen 3.033 N/A TRP 86.A N PHE 73.A O no hydrogen 2.732 N/A LEU 87.A N LYS 38.A O no hydrogen 2.866 N/A VAL 88.A N GLY 71.A O no hydrogen 2.759 N/A MET 89.A N ALA 36.A O no hydrogen 2.969 N/A GLU 90.A N THR 68.A O no hydrogen 2.794 N/A GLY 93.A N GLU 147.A OE1 no hydrogen 3.040 N/A ALA 94.A N LEU 145.A O no hydrogen 3.074 N/A GLY 95.A N CYS 92.A O no hydrogen 3.376 N/A SER 96.A N ASP 99.A OD2 no hydrogen 3.444 N/A SER 96.A OG GLN 141.A OE1 no hydrogen 2.902 N/A ILE 97.A N VAL 143.A O no hydrogen 2.924 N/A THR 98.A N GLY 140.A O no hydrogen 3.444 N/A THR 98.A OG1 GLU 209.A OE2 no hydrogen 2.715 N/A ASP 99.A N SER 96.A OG no hydrogen 2.899 N/A LEU 100.A N SER 96.A O no hydrogen 2.932 N/A VAL 101.A N ILE 97.A O no hydrogen 3.014 N/A LYS 102.A N THR 98.A O no hydrogen 3.208 N/A LYS 102.A NZ ASP 99.A O no hydrogen 3.546 N/A LYS 102.A NZ ASN 103.A OD1 no hydrogen 2.877 N/A ASN 103.A N ASP 99.A O no hydrogen 2.919 N/A ASN 103.A N LEU 100.A O no hydrogen 2.955 N/A THR 104.A OG1 LEU 100.A O no hydrogen 2.936 N/A ASN 107.A N THR 104.A O no hydrogen 2.839 N/A THR 108.A OG1 ALA 211.A O no hydrogen 2.729 N/A LEU 109.A N MET 210.A O no hydrogen 3.075 N/A LYS 110.A NZ GLN 285.A OE1 no hydrogen 3.390 N/A TRP 113.A NE1 GLN 285.A OE1 no hydrogen 2.832 N/A ILE 114.A N LYS 110.A O no hydrogen 3.180 N/A ALA 115.A N GLU 111.A O no hydrogen 2.955 N/A TYR 116.A N ASP 112.A O no hydrogen 3.173 N/A TYR 116.A OH ALA 149.A O no hydrogen 3.211 N/A ILE 117.A N TRP 113.A O no hydrogen 2.929 N/A SER 118.A N ILE 114.A O no hydrogen 2.964 N/A SER 118.A OG ILE 114.A O no hydrogen 2.752 N/A ARG 119.A N ALA 115.A O no hydrogen 3.137 N/A ARG 119.A NE GLU 120.A OE1 no hydrogen 3.514 N/A ARG 119.A NH1 GLU 279.A OE2 no hydrogen 3.198 N/A ARG 119.A NH2 GLU 279.A OE1 no hydrogen 3.150 N/A GLU 120.A N TYR 116.A O no hydrogen 3.056 N/A ILE 121.A N ILE 117.A O no hydrogen 2.875 N/A LEU 122.A N SER 118.A O no hydrogen 2.926 N/A ARG 123.A N ARG 119.A O no hydrogen 2.854 N/A ARG 123.A NH1 GLU 120.A OE1 no hydrogen 2.956 N/A GLY 124.A N GLU 120.A O no hydrogen 3.077 N/A LEU 125.A N ILE 121.A O no hydrogen 2.818 N/A ALA 126.A N LEU 122.A O no hydrogen 2.661 N/A HIS 127.A N ARG 123.A O no hydrogen 3.041 N/A LEU 128.A N GLY 124.A O no hydrogen 3.289 N/A HIS 129.A N LEU 125.A O no hydrogen 2.874 N/A HIS 129.A ND1 THR 264.A OG1 no hydrogen 2.687 N/A HIS 129.A NE2 ASP 199.A OD1 no hydrogen 2.940 N/A ILE 130.A N ALA 126.A O no hydrogen 3.080 N/A HIS 131.A N LEU 128.A O no hydrogen 3.093 N/A HIS 131.A ND1 HIS 127.A O no hydrogen 2.916 N/A HIS 132.A N HIS 129.A O no hydrogen 2.593 N/A VAL 133.A N LEU 128.A O no hydrogen 2.789 N/A HIS 135.A N ASP 199.A OD1 no hydrogen 2.978 N/A HIS 135.A NE2 VAL 154.A O no hydrogen 2.990 N/A ARG 136.A N ASP 199.A OD2 no hydrogen 2.855 N/A ASP 137.A N HIS 135.A ND1 no hydrogen 2.916 N/A ASN 142.A N LYS 139.A O no hydrogen 2.860 N/A ASN 142.A ND2 ASP 137.A O no hydrogen 2.724 N/A VAL 143.A N GLY 140.A O no hydrogen 3.315 N/A LEU 144.A N LYS 152.A O no hydrogen 2.822 N/A LEU 145.A N GLY 95.A O no hydrogen 2.914 N/A THR 146.A N GLU 150.A O no hydrogen 2.899 N/A ALA 149.A N THR 146.A O no hydrogen 3.112 N/A GLU 150.A N THR 146.A OG1 no hydrogen 2.905 N/A LYS 152.A N LEU 144.A O no hydrogen 2.739 N/A LYS 152.A NZ ARG 64.A O no hydrogen 2.705 N/A LEU 153.A N ASN 65.A O no hydrogen 2.720 N/A VAL 154.A N ASN 142.A O no hydrogen 3.190 N/A ASP 155.A N TYR 69.A OH no hydrogen 3.143 N/A GLY 157.A N HIS 135.A O no hydrogen 2.720 N/A SER 159.A OG VAL 158.A O no hydrogen 2.278 N/A LEU 162.A N ALA 160.A O no hydrogen 2.383 N/A ARG 168.A NE TYR 20.A OH no hydrogen 2.967 N/A ARG 168.A NH2 ASP 82.A OD1 no hydrogen 3.324 N/A ARG 169.A NH1 GLU 46.A OE2 no hydrogen 2.450 N/A ARG 169.A NH2 GLU 53.A OE1 no hydrogen 2.793 N/A ASN 170.A N GLY 167.A O no hydrogen 2.798 N/A ASN 170.A ND2 GLU 53.A OE2 no hydrogen 3.528 N/A THR 171.A N ARG 168.A O no hydrogen 2.767 N/A THR 171.A OG1 ARG 168.A O no hydrogen 2.602 N/A TYR 177.A OH MET 220.A O no hydrogen 2.512 N/A MET 179.A N PRO 176.A O no hydrogen 3.012 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.907 N/A VAL 183.A N ALA 180.A O no hydrogen 3.139 N/A ILE 184.A N PRO 181.A O no hydrogen 3.153 N/A CYS 186.A N ASN 189.A O no hydrogen 3.080 N/A CYS 186.A SG GLU 188.A OE1 no hydrogen 3.537 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 3.083 N/A ASN 189.A N CYS 186.A O no hydrogen 2.705 N/A ASN 189.A ND2 GLU 182.A O no hydrogen 3.111 N/A ASN 189.A ND2 ILE 184.A O no hydrogen 3.682 N/A THR 193.A OG1 TYR 194.A O no hydrogen 3.288 N/A TYR 194.A OH ARG 136.A O no hydrogen 3.298 N/A ASP 195.A N SER 198.A OG no hydrogen 3.020 N/A ARG 197.A N ASP 195.A OD1 no hydrogen 2.768 N/A ARG 197.A NE ASP 195.A OD1 no hydrogen 2.828 N/A ARG 197.A NH1 ASP 195.A OD1 no hydrogen 3.501 N/A ARG 197.A NH1 ASP 195.A OD2 no hydrogen 3.435 N/A SER 198.A N ASP 195.A O no hydrogen 2.687 N/A SER 198.A OG GLU 182.A OE2 no hydrogen 3.097 N/A SER 198.A OG ASP 195.A O no hydrogen 2.914 N/A ASP 199.A N TYR 196.A O no hydrogen 3.202 N/A LEU 200.A N ARG 197.A O no hydrogen 2.988 N/A TRP 201.A N ARG 197.A O no hydrogen 3.349 N/A SER 202.A N SER 198.A O no hydrogen 3.327 N/A SER 202.A OG TRP 178.A O no hydrogen 2.549 N/A SER 202.A OG SER 198.A O no hydrogen 3.467 N/A CYS 203.A N.A ASP 199.A O no hydrogen 2.894 N/A CYS 203.A N.B ASP 199.A O no hydrogen 2.879 N/A CYS 203.A SG.B ASP 199.A O no hydrogen 3.234 N/A GLY 204.A N LEU 200.A O no hydrogen 3.068 N/A ILE 205.A N TRP 201.A O no hydrogen 3.039 N/A THR 206.A N SER 202.A O no hydrogen 2.866 N/A THR 206.A OG1 SER 202.A O no hydrogen 2.776 N/A ALA 207.A N CYS 203.A O.A no hydrogen 2.870 N/A ALA 207.A N CYS 203.A O.B no hydrogen 2.773 N/A ILE 208.A N GLY 204.A O no hydrogen 3.026 N/A GLU 209.A N ILE 205.A O no hydrogen 2.954 N/A MET 210.A N THR 206.A O no hydrogen 2.945 N/A ALA 211.A N ALA 207.A O no hydrogen 3.019 N/A GLU 212.A N ILE 208.A O no hydrogen 2.725 N/A GLY 213.A N GLU 209.A O no hydrogen 2.726 N/A CYS 218.A SG ASP 219.A OD1 no hydrogen 3.706 N/A MET 220.A N LEU 217.A O no hydrogen 2.886 N/A MET 223.A N HIS 221.A ND1 no hydrogen 2.961 N/A ALA 225.A N HIS 221.A O no hydrogen 2.908 N/A LEU 226.A N PRO 222.A O no hydrogen 2.985 N/A PHE 227.A N MET 223.A O no hydrogen 3.270 N/A LEU 228.A N ARG 224.A O no hydrogen 2.930 N/A ILE 229.A N ALA 225.A O no hydrogen 3.016 N/A ARG 231.A N LEU 228.A O no hydrogen 2.859 N/A ASN 232.A N LEU 228.A O no hydrogen 2.651 N/A LYS 238.A N GLU 212.A OE2 no hydrogen 2.714 N/A LYS 241.A N SER 239.A OG no hydrogen 3.070 N/A SER 243.A N GLU 111.A OE1 no hydrogen 3.187 N/A SER 243.A OG GLU 111.A OE2 no hydrogen 2.595 N/A LYS 244.A NZ LYS 244.A O no hydrogen 3.445 N/A PHE 246.A N SER 243.A OG no hydrogen 3.046 N/A PHE 247.A N SER 243.A O no hydrogen 3.082 N/A SER 248.A N LYS 244.A O no hydrogen 3.026 N/A SER 248.A OG HIS 270.A NE2 no hydrogen 2.859 N/A PHE 249.A N LYS 245.A O no hydrogen 3.054 N/A ILE 250.A N PHE 246.A O no hydrogen 3.016 N/A GLU 251.A N PHE 247.A O no hydrogen 3.001 N/A GLY 252.A N SER 248.A O no hydrogen 2.937 N/A CYS 253.A N PHE 249.A O no hydrogen 3.013 N/A CYS 253.A SG PHE 249.A O no hydrogen 3.558 N/A LEU 254.A N ILE 250.A O no hydrogen 2.967 N/A LYS 256.A NZ PRO 230.A O no hydrogen 2.908 N/A LYS 256.A NZ ASN 232.A O no hydrogen 2.867 N/A MET 259.A N ASN 257.A OD1 no hydrogen 2.950 N/A GLN 260.A N ASN 257.A O no hydrogen 3.147 N/A ARG 261.A N TYR 258.A O no hydrogen 2.998 N/A ARG 261.A NE VAL 255.A O no hydrogen 2.913 N/A ARG 261.A NH1 GLU 182.A OE2 no hydrogen 2.815 N/A ARG 261.A NH1 ARG 197.A O no hydrogen 2.976 N/A ARG 261.A NH2 GLU 182.A OE1 no hydrogen 3.020 N/A ARG 261.A NH2 VAL 255.A O no hydrogen 2.885 N/A ARG 261.A NH2 LYS 256.A O no hydrogen 3.248 N/A SER 263.A N GLN 266.A OE1 no hydrogen 3.151 N/A SER 263.A OG GLN 266.A OE1 no hydrogen 3.540 N/A THR 264.A OG1 HIS 129.A ND1 no hydrogen 2.687 N/A GLN 266.A N SER 263.A OG no hydrogen 3.247 N/A LEU 267.A N SER 263.A O no hydrogen 3.171 N/A LEU 268.A N THR 264.A O no hydrogen 3.103 N/A LYS 269.A N GLU 265.A O no hydrogen 3.278 N/A LYS 269.A N GLN 266.A O no hydrogen 3.018 N/A HIS 270.A N LEU 267.A O no hydrogen 3.096 N/A HIS 270.A NE2 SER 248.A OG no hydrogen 2.859 N/A PHE 272.A N HIS 270.A ND1 no hydrogen 2.995 N/A ILE 273.A N HIS 270.A O no hydrogen 2.762 N/A ARG 274.A N HIS 270.A O no hydrogen 2.693 N/A ARG 274.A NH2 ASP 275.A OD1 no hydrogen 3.317 N/A ARG 274.A NH2 ASP 275.A OD2 no hydrogen 3.060 N/A ASP 275.A N PRO 271.A O no hydrogen 3.186 N/A GLN 281.A N GLN 281.A OE1 no hydrogen 2.737 N/A VAL 282.A N ASN 278.A O no hydrogen 2.971 N/A ARG 283.A N GLU 279.A O no hydrogen 3.025 N/A ILE 284.A N ARG 280.A O no hydrogen 3.233 N/A GLN 285.A N GLN 281.A O no hydrogen 2.751 N/A LEU 286.A N VAL 282.A O no hydrogen 2.660 N/A LYS 287.A N ARG 283.A O no hydrogen 2.671 N/A ASP 288.A N ILE 284.A O no hydrogen 2.840 N/A HIS 289.A N GLN 285.A O no hydrogen 2.928 N/A ILE 290.A N LEU 286.A O no hydrogen 3.010 N/A ASP 291.A N LYS 287.A O no hydrogen 3.379 N/A ARG 292.A N ASP 288.A O no hydrogen 3.135 N/A THR 293.A N HIS 289.A O no hydrogen 3.218 N/A THR 293.A N ILE 290.A O no hydrogen 3.211 N/A THR 293.A OG1 HIS 289.A O no hydrogen 3.125 N/A ARG 294.A N ILE 290.A O no hydrogen 3.065 N/A LYS 295.A N ASP 291.A O no hydrogen 3.262 N/A