Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4upe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH1 ILE 38.A O no hydrogen 2.960 N/A SER 6.A OG ASP 41.A OD2 no hydrogen 2.607 N/A VAL 7.A N SER 39.A O no hydrogen 2.969 N/A VAL 8.A N TYR 69.A O no hydrogen 2.870 N/A TRP 9.A N TYR 42.A O no hydrogen 3.095 N/A TRP 9.A NE1 GLU 73.A OE1 no hydrogen 2.920 N/A LEU 10.A N VAL 71.A O no hydrogen 2.868 N/A HIS 11.A NE2 THR 19.A OG1 no hydrogen 2.842 N/A ASN 12.A N GLU 73.A O no hydrogen 2.815 N/A ALA 13.A N GLY 75.A O no hydrogen 2.939 N/A THR 16.A OG1 GLU 14.A OE1 no hydrogen 2.608 N/A CYS 18.A SG ILE 109.A O no hydrogen 3.667 N/A THR 19.A N GLU 73.A OE2 no hydrogen 2.974 N/A THR 19.A OG1 HIS 11.A NE2 no hydrogen 2.842 N/A THR 19.A OG1 GLU 73.A OE1 no hydrogen 2.587 N/A GLU 20.A N THR 16.A O no hydrogen 3.039 N/A ALA 21.A N GLY 17.A O no hydrogen 2.873 N/A ALA 22.A N CYS 18.A O no hydrogen 2.980 N/A ILE 23.A N THR 19.A O no hydrogen 3.182 N/A ARG 24.A N ALA 21.A O no hydrogen 2.980 N/A ARG 24.A NH1 GLU 20.A OE1 no hydrogen 2.780 N/A ARG 24.A NH2 GLU 20.A OE1 no hydrogen 3.152 N/A THR 25.A N ALA 22.A O no hydrogen 3.188 N/A THR 25.A OG1 PRO 28.A O no hydrogen 2.654 N/A LEU 33.A N TYR 29.A O no hydrogen 3.083 N/A ILE 34.A N ILE 30.A O no hydrogen 3.103 N/A LEU 35.A N ASP 31.A O no hydrogen 2.827 N/A ASP 36.A N ALA 32.A O no hydrogen 2.877 N/A THR 37.A N LEU 33.A O no hydrogen 3.029 N/A ILE 38.A N LEU 33.A O no hydrogen 2.839 N/A SER 39.A N PRO 5.A O no hydrogen 2.850 N/A SER 39.A OG ASP 41.A OD1 no hydrogen 2.661 N/A SER 39.A OG ASP 41.A OD2 no hydrogen 3.526 N/A ASP 41.A N VAL 7.A O no hydrogen 2.903 N/A TYR 42.A OH GLU 44.A OE2 no hydrogen 2.637 N/A GLN 43.A NE2 THR 19.A OG1 no hydrogen 3.064 N/A THR 45.A N GLN 43.A OE1 no hydrogen 2.896 N/A THR 45.A OG1 GLN 43.A OE1 no hydrogen 3.346 N/A ILE 46.A N GLN 43.A O no hydrogen 3.346 N/A MET 47.A N GLN 43.A O no hydrogen 2.971 N/A ALA 54.A N ALA 50.A O no hydrogen 3.113 N/A GLU 55.A N GLY 51.A O no hydrogen 2.999 N/A ALA 56.A N GLU 52.A O no hydrogen 2.917 N/A ALA 57.A N ALA 53.A O no hydrogen 3.114 N/A LEU 58.A N ALA 54.A O no hydrogen 3.023 N/A HIS 59.A N.A GLU 55.A O no hydrogen 2.981 N/A HIS 59.A N.B GLU 55.A O no hydrogen 2.941 N/A HIS 59.A ND1.A GLU 55.A O no hydrogen 2.864 N/A GLN 60.A N ALA 56.A O no hydrogen 2.835 N/A ALA 61.A N ALA 57.A O no hydrogen 2.967 N/A LEU 62.A N LEU 58.A O no hydrogen 2.864 N/A GLU 63.A N HIS 59.A O.A no hydrogen 3.176 N/A GLU 63.A N HIS 59.A O.B no hydrogen 2.932 N/A GLY 64.A N ALA 61.A O no hydrogen 3.144 N/A GLY 67.A N GLY 64.A O no hydrogen 2.999 N/A TYR 68.A OH ALA 99.A O no hydrogen 2.477 N/A TYR 69.A N SER 6.A O no hydrogen 2.831 N/A LEU 70.A N GLY 105.A O no hydrogen 2.931 N/A VAL 71.A N VAL 8.A O no hydrogen 2.809 N/A VAL 72.A N ILE 107.A O no hydrogen 2.956 N/A GLU 73.A N LEU 10.A O no hydrogen 2.875 N/A GLY 75.A N ALA 13.A O no hydrogen 2.952 N/A LEU 76.A N LYS 129.A O.A no hydrogen 2.808 N/A LEU 76.A N LYS 129.A O.B no hydrogen 2.798 N/A THR 78.A N SER 126.A O no hydrogen 3.081 N/A THR 78.A N GLN 127.A O no hydrogen 3.069 N/A THR 78.A OG1 GLN 127.A O no hydrogen 2.688 N/A ILE 79.A N SER 126.A O no hydrogen 3.223 N/A GLY 82.A N ILE 79.A O no hydrogen 3.050 N/A GLN 83.A N ASP 80.A O no hydrogen 3.214 N/A GLN 83.A NE2 ASP 80.A O no hydrogen 2.888 N/A TRP 84.A NE1 ASP 80.A OD2.A no hydrogen 3.099 N/A VAL 87.A N HIS 90.A O no hydrogen 3.045 N/A HIS 90.A N VAL 87.A O no hydrogen 3.003 N/A HIS 90.A NE2 GLU 55.A OE2 no hydrogen 3.050 N/A MET 92.A N GLY 85.A O no hydrogen 2.838 N/A GLU 94.A N PRO 91.A O no hydrogen 3.045 N/A THR 95.A N PRO 91.A O no hydrogen 3.297 N/A THR 96.A N MET 92.A O no hydrogen 2.901 N/A THR 96.A OG1 ASN 12.A OD1 no hydrogen 2.938 N/A THR 96.A OG1 MET 92.A O no hydrogen 3.278 N/A LYS 97.A N ILE 93.A O no hydrogen 2.957 N/A LYS 98.A N GLU 94.A O no hydrogen 3.019 N/A ALA 99.A N THR 95.A O no hydrogen 2.952 N/A ALA 100.A N THR 96.A O no hydrogen 2.875 N/A ALA 101.A N LYS 97.A O no hydrogen 3.124 N/A LYS 102.A NZ LEU 62.A O no hydrogen 2.977 N/A ALA 103.A N ALA 100.A O no hydrogen 3.064 N/A LYS 104.A N TYR 68.A O no hydrogen 2.828 N/A LYS 104.A NZ ASP 66.A O no hydrogen 2.839 N/A ILE 107.A N LEU 70.A O no hydrogen 2.852 N/A CYS 108.A N ILE 140.A O no hydrogen 2.749 N/A CYS 108.A SG SER 113.A O no hydrogen 3.728 N/A ILE 109.A N VAL 72.A O no hydrogen 3.044 N/A GLY 110.A N ILE 142.A O no hydrogen 2.811 N/A THR 111.A N GLY 144.A O no hydrogen 3.133 N/A THR 111.A OG1 GLY 144.A O no hydrogen 3.304 N/A THR 111.A OG1 CYS 246.A O no hydrogen 2.714 N/A SER 113.A OG VAL 72.A O no hydrogen 2.971 N/A SER 113.A OG ILE 109.A O no hydrogen 2.930 N/A SER 113.A OG GLY 110.A O no hydrogen 3.355 N/A ALA 114.A N GLY 110.A O no hydrogen 3.066 N/A TYR 115.A N THR 111.A O no hydrogen 2.802 N/A TYR 115.A OH ASN 170.A O no hydrogen 2.721 N/A GLY 116.A N CYS 112.A O no hydrogen 2.676 N/A GLN 119.A NE2 GLY 116.A O no hydrogen 2.904 N/A LYS 120.A N GLY 117.A O no hydrogen 3.016 N/A LYS 120.A NZ TYR 115.A O no hydrogen 3.191 N/A LYS 120.A NZ ASP 250.A OD1 no hydrogen 2.890 N/A ALA 121.A N VAL 118.A O no hydrogen 3.113 N/A LYS 122.A N ASP 253.A OD2 no hydrogen 2.961 N/A ASN 124.A N ALA 121.A O no hydrogen 2.867 N/A ASN 124.A ND2 ALA 128.A O no hydrogen 3.310 N/A GLN 127.A N ASN 124.A O no hydrogen 3.049 N/A ALA 128.A N ASN 124.A OD1 no hydrogen 2.811 N/A LYS 129.A N.A LEU 76.A O no hydrogen 2.837 N/A LYS 129.A N.B LEU 76.A O no hydrogen 2.828 N/A LYS 129.A NZ.B GLU 133.A OE2 no hydrogen 2.663 N/A VAL 131.A N SER 113.A O no hydrogen 2.834 N/A ALA 134.A N GLY 130.A O no hydrogen 2.900 N/A LEU 135.A N VAL 131.A O no hydrogen 2.763 N/A GLY 136.A N SER 132.A O no hydrogen 2.710 N/A THR 139.A OG1 ASN 141.A OD1 no hydrogen 2.631 N/A ILE 140.A N ILE 106.A O no hydrogen 3.010 N/A ASN 141.A N GLY 171.A O no hydrogen 2.939 N/A ASN 141.A ND2 ASN 170.A O no hydrogen 2.977 N/A ILE 142.A N CYS 108.A O no hydrogen 2.851 N/A GLY 144.A N THR 111.A OG1 no hydrogen 2.923 N/A ASN 148.A ND2 LEU 229.A O no hydrogen 2.816 N/A ILE 150.A N ASN 148.A OD1 no hydrogen 3.144 N/A ASN 151.A N ASN 148.A O no hydrogen 2.978 N/A ASN 151.A ND2 TYR 177.A OH no hydrogen 3.327 N/A ASN 151.A ND2 ASN 223.A OD1 no hydrogen 3.545 N/A ASN 151.A ND2 ASN 224.A OD1 no hydrogen 3.146 N/A PHE 152.A N ASN 148.A O no hydrogen 3.256 N/A VAL 153.A N PRO 149.A O no hydrogen 2.765 N/A GLY 154.A N ILE 150.A O no hydrogen 2.932 N/A ALA 155.A N ASN 151.A O no hydrogen 3.055 N/A VAL 156.A N PHE 152.A O no hydrogen 2.916 N/A VAL 157.A N VAL 153.A O no hydrogen 2.860 N/A HIS 158.A N GLY 154.A O no hydrogen 3.003 N/A HIS 158.A ND1 GLY 163.A O no hydrogen 2.872 N/A VAL 159.A N ALA 155.A O no hydrogen 2.892 N/A LEU 160.A N VAL 156.A O no hydrogen 3.123 N/A THR 161.A N VAL 157.A O no hydrogen 3.149 N/A THR 161.A N HIS 158.A O no hydrogen 3.352 N/A THR 161.A OG1 VAL 157.A O no hydrogen 2.951 N/A LYS 162.A N HIS 158.A O no hydrogen 2.812 N/A GLY 163.A N HIS 158.A O no hydrogen 3.088 N/A ASP 168.A N ARG 172.A O no hydrogen 2.807 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.706 N/A ASN 170.A N ASP 168.A OD1 no hydrogen 2.856 N/A GLY 171.A N ASP 168.A O no hydrogen 3.037 N/A ARG 172.A N ASP 168.A OD1 no hydrogen 2.973 N/A ARG 172.A NE ASP 168.A OD2 no hydrogen 2.776 N/A ARG 172.A NH1 SER 247.A O no hydrogen 3.208 N/A ARG 172.A NH1 GLU 248.A OE2 no hydrogen 2.870 N/A ARG 172.A NH2 ASP 168.A OD2 no hydrogen 3.179 N/A LYS 174.A N ASP 166.A O no hydrogen 2.848 N/A PHE 176.A N PRO 173.A O no hydrogen 3.102 N/A TYR 177.A N PRO 173.A O no hydrogen 2.927 N/A TYR 177.A OH PRO 143.A O no hydrogen 2.735 N/A VAL 181.A N THR 221.A O no hydrogen 2.840 N/A HIS 182.A N GLY 218.A O no hydrogen 3.235 N/A ASP 183.A N LEU 180.A O no hydrogen 3.175 N/A ASN 184.A N VAL 181.A O no hydrogen 3.108 N/A ASN 184.A ND2 GLU 179.A OE1 no hydrogen 2.897 N/A CYS 185.A N HIS 182.A O no hydrogen 3.147 N/A ARG 187.A NH1 PHE 209.A O no hydrogen 2.874 N/A LEU 188.A N CYS 185.A O no hydrogen 2.988 N/A HIS 190.A ND1 GLU 195.A OE1 no hydrogen 2.742 N/A PHE 191.A N ARG 187.A O no hydrogen 3.170 N/A GLU 192.A N LEU 188.A O no hydrogen 2.825 N/A ALA 193.A N PRO 189.A O no hydrogen 3.019 N/A SER 194.A N PHE 191.A O no hydrogen 3.122 N/A GLU 195.A N HIS 190.A O no hydrogen 2.836 N/A ALA 197.A N CYS 210.A O no hydrogen 3.048 N/A SER 199.A OG ASP 201.A OD1 no hydrogen 2.959 N/A SER 202.A OG SER 199.A O no hydrogen 2.794 N/A GLU 204.A N GLU 204.A OE1 no hydrogen 2.716 N/A ALA 205.A N SER 202.A OG no hydrogen 3.101 N/A LYS 206.A N SER 202.A O no hydrogen 3.140 N/A LYS 206.A NZ GLU 203.A OE2 no hydrogen 2.946 N/A LYS 207.A N GLU 203.A O no hydrogen 2.851 N/A GLY 208.A N ALA 205.A O no hydrogen 2.956 N/A PHE 209.A N GLU 204.A O no hydrogen 3.053 N/A CYS 210.A N GLU 195.A O no hydrogen 3.123 N/A LEU 214.A N LEU 211.A O no hydrogen 3.062 N/A GLY 215.A N TYR 212.A O no hydrogen 3.024 N/A CYS 216.A N LEU 211.A O no hydrogen 3.117 N/A LYS 217.A N CYS 243.A O no hydrogen 3.021 N/A LYS 217.A NZ GLY 215.A O no hydrogen 2.696 N/A LYS 217.A NZ MET 255.A O no hydrogen 2.989 N/A LYS 217.A NZ PRO 257.A O no hydrogen 3.403 N/A LYS 217.A NZ GLU 260.A O no hydrogen 2.930 N/A VAL 220.A N LYS 217.A O no hydrogen 2.999 N/A THR 221.A N GLY 218.A O no hydrogen 3.201 N/A THR 221.A OG1 LYS 217.A O no hydrogen 2.759 N/A TYR 222.A N GLU 248.A OE2 no hydrogen 2.900 N/A ASN 223.A N GLU 179.A O no hydrogen 3.167 N/A ASN 224.A N ASN 223.A OD1 no hydrogen 2.878 N/A ASN 224.A ND2 ASN 151.A OD1 no hydrogen 2.883 N/A LYS 227.A N ASN 224.A O no hydrogen 2.881 N/A LYS 227.A NZ GLU 179.A OE1 no hydrogen 2.873 N/A VAL 228.A N ASN 224.A O no hydrogen 3.032 N/A LEU 229.A N CYS 225.A O no hydrogen 2.914 N/A PHE 230.A N ASN 234.A O no hydrogen 2.772 N/A VAL 233.A N PHE 230.A O no hydrogen 3.003 N/A ASN 234.A N PHE 230.A O no hydrogen 3.211 N/A TRP 235.A N ASN 234.A OD1 no hydrogen 2.791 N/A GLN 238.A NE2 VAL 233.A O no hydrogen 3.325 N/A ALA 239.A N TRP 235.A O no hydrogen 3.038 N/A GLY 240.A N VAL 237.A O no hydrogen 2.822 N/A HIS 241.A N PRO 236.A O no hydrogen 3.002 N/A HIS 241.A ND1 PRO 242.A O no hydrogen 2.893 N/A HIS 241.A NE2 TYR 259.A OH no hydrogen 2.651 N/A SER 247.A OG TYR 222.A O no hydrogen 2.748 N/A GLU 248.A N GLY 245.A O no hydrogen 3.048 N/A PHE 251.A N GLU 248.A O no hydrogen 3.250 N/A ASP 253.A N ASP 250.A O no hydrogen 2.954 N/A THR 254.A N ASP 250.A O no hydrogen 3.068 N/A THR 254.A OG1 ASP 250.A O no hydrogen 3.364 N/A MET 255.A N PHE 251.A O no hydrogen 2.786 N/A THR 256.A OG1 TRP 252.A O no hydrogen 2.734 N/A TYR 259.A OH HIS 241.A NE2 no hydrogen 2.651 N/A GLU 260.A N PRO 257.A O no hydrogen 3.434 N/A GLN 261.A NE2 TYR 212.A O no hydrogen 2.812 N/A GLN 261.A NE2 CYS 216.A O no hydrogen 2.719 N/A