Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kpq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 103.A O no hydrogen 2.947 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.746 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.848 N/A MET 5.A N CYS 101.A O no hydrogen 2.940 N/A ARG 6.A N TYR 27.A O no hydrogen 3.018 N/A ARG 6.A NH1 MET 5.A O no hydrogen 3.276 N/A ARG 6.A NH1 CYS 101.A O no hydrogen 3.373 N/A ARG 6.A NH1 ASP 102.A OD1 no hydrogen 2.752 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 2.811 N/A TYR 7.A N TYR 99.A O no hydrogen 2.865 N/A PHE 8.A N VAL 25.A O no hydrogen 2.852 N/A TYR 9.A N ARG 97.A O no hydrogen 2.786 N/A THR 10.A N ILE 23.A O no hydrogen 2.968 N/A ALA 11.A N ILE 95.A O no hydrogen 2.782 N/A MET 12.A N ARG 21.A O no hydrogen 2.807 N/A SER 13.A N HIS 93.A O no hydrogen 2.831 N/A SER 13.A OG HIS 93.A O no hydrogen 3.261 N/A ARG 14.A NE GLU 19.A O no hydrogen 2.934 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 2.848 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 2.904 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 2.923 N/A ARG 14.A NH2 ASP 39.A OD2 no hydrogen 3.463 N/A ARG 17.A N ARG 14.A O no hydrogen 2.933 N/A ARG 21.A N MET 12.A O no hydrogen 2.941 N/A ARG 21.A NH1 ASP 39.A OD2 no hydrogen 3.308 N/A PHE 22.A N SER 38.A OG no hydrogen 2.935 N/A ILE 23.A N THR 10.A O no hydrogen 2.808 N/A THR 24.A N PHE 36.A O no hydrogen 2.827 N/A VAL 25.A N PHE 8.A O no hydrogen 3.002 N/A GLY 26.A N VAL 34.A O no hydrogen 2.840 N/A TYR 27.A N ARG 6.A O no hydrogen 2.866 N/A VAL 28.A N THR 31.A O no hydrogen 2.910 N/A ASP 29.A N SER 4.A O no hydrogen 2.863 N/A THR 31.A N VAL 28.A O no hydrogen 2.898 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 2.644 N/A PHE 33.A N GLY 26.A O no hydrogen 2.864 N/A ARG 35.A N GLU 46.A O no hydrogen 3.118 N/A ARG 35.A NH1 GLU 46.A OE1 no hydrogen 2.695 N/A PHE 36.A N THR 24.A O no hydrogen 2.783 N/A SER 38.A N PHE 22.A O no hydrogen 3.047 N/A SER 38.A OG PHE 22.A O no hydrogen 3.443 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.917 N/A ALA 40.A N ASP 37.A O no hydrogen 2.997 N/A LYS 45.A N THR 64.A OG1 no hydrogen 2.864 N/A LYS 45.A NZ GLU 63.A O no hydrogen 3.159 N/A LYS 45.A NZ GLU 63.A OE1 no hydrogen 2.704 N/A LYS 45.A NZ SER 67.A OG no hydrogen 2.987 N/A GLU 46.A N ARG 35.A O no hydrogen 2.795 N/A ARG 48.A N PHE 33.A O no hydrogen 2.726 N/A ARG 48.A NE PRO 47.A O no hydrogen 2.974 N/A ILE 52.A N ALA 49.A O no hydrogen 3.344 N/A GLU 53.A N PRO 50.A O no hydrogen 3.118 N/A GLN 54.A NE2 ASN 174.A O no hydrogen 3.628 N/A GLU 55.A N ILE 52.A O no hydrogen 3.076 N/A GLU 58.A N.A GLU 58.A OE1.A no hydrogen 2.812 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.619 N/A TRP 60.A N GLY 56.A O no hydrogen 3.335 N/A ASP 61.A N PRO 57.A O no hydrogen 2.879 N/A ARG 62.A N.A GLU 58.A O.A no hydrogen 2.998 N/A ARG 62.A N.A GLU 58.A O.B no hydrogen 2.992 N/A ARG 62.A N.B GLU 58.A O.A no hydrogen 3.001 N/A ARG 62.A N.B GLU 58.A O.B no hydrogen 2.995 N/A GLU 63.A N TYR 59.A O no hydrogen 2.898 N/A THR 64.A N TRP 60.A O no hydrogen 2.975 N/A THR 64.A OG1 TRP 60.A O no hydrogen 3.069 N/A GLN 65.A N ASP 61.A O no hydrogen 2.982 N/A GLN 65.A NE2 THR 69.A OG1 no hydrogen 3.053 N/A ILE 66.A N ARG 62.A O.A no hydrogen 3.102 N/A ILE 66.A N ARG 62.A O.B no hydrogen 3.023 N/A SER 67.A N GLU 63.A O no hydrogen 3.287 N/A SER 67.A OG GLU 63.A O no hydrogen 3.406 N/A LYS 68.A N THR 64.A O no hydrogen 2.879 N/A LYS 68.A NZ PRO 43.A O no hydrogen 2.779 N/A THR 69.A N GLN 65.A O no hydrogen 2.845 N/A THR 69.A OG1 GLN 65.A O no hydrogen 3.051 N/A ASN 70.A N ILE 66.A O no hydrogen 2.798 N/A THR 71.A N SER 67.A O no hydrogen 2.902 N/A THR 71.A OG1 SER 67.A O no hydrogen 3.066 N/A THR 73.A N THR 69.A O no hydrogen 2.890 N/A THR 73.A OG1 THR 69.A O no hydrogen 3.221 N/A TYR 74.A N ASN 70.A O no hydrogen 2.746 N/A ARG 75.A N THR 71.A O no hydrogen 3.261 N/A ARG 75.A NE PRO 20.A O no hydrogen 2.862 N/A ARG 75.A NH2 PRO 20.A O no hydrogen 2.831 N/A GLU 76.A N.A GLN 72.A O no hydrogen 3.166 N/A GLU 76.A N.B GLN 72.A O no hydrogen 3.167 N/A ASN 77.A N THR 73.A O no hydrogen 2.950 N/A LEU 78.A N TYR 74.A O no hydrogen 3.047 N/A ARG 79.A N ARG 75.A O no hydrogen 3.123 N/A ARG 79.A NH2 GLU 76.A OE1.A no hydrogen 3.085 N/A THR 80.A N GLU 76.A O.A no hydrogen 2.943 N/A THR 80.A N GLU 76.A O.B no hydrogen 2.895 N/A THR 80.A OG1 GLU 76.A O.A no hydrogen 3.136 N/A THR 80.A OG1 GLU 76.A O.B no hydrogen 3.210 N/A THR 80.A OG1 GLU 76.A OE2.A no hydrogen 3.168 N/A ALA 81.A N ASN 77.A O no hydrogen 2.763 N/A LEU 82.A N LEU 78.A O no hydrogen 3.104 N/A ARG 83.A N ARG 79.A O no hydrogen 3.265 N/A ARG 83.A NH1 THR 80.A OG1 no hydrogen 3.341 N/A TYR 84.A N THR 80.A O no hydrogen 2.864 N/A TYR 85.A N ALA 81.A O no hydrogen 3.042 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 3.168 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.699 N/A ASN 86.A N ARG 83.A O no hydrogen 3.140 N/A GLN 87.A N LEU 82.A O no hydrogen 2.897 N/A ALA 90.A N SER 88.A OG no hydrogen 3.225 N/A SER 92.A OG SER 13.A O no hydrogen 3.372 N/A HIS 93.A N SER 13.A OG no hydrogen 2.700 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.703 N/A ILE 94.A N ASP 119.A OD1 no hydrogen 2.987 N/A ILE 95.A N ALA 11.A O no hydrogen 2.863 N/A GLN 96.A N ALA 117.A O no hydrogen 2.970 N/A ARG 97.A N TYR 9.A O no hydrogen 3.128 N/A ARG 97.A NE ASP 114.A OD1 no hydrogen 2.714 N/A ARG 97.A NH2 ASP 114.A OD1 no hydrogen 3.173 N/A ARG 97.A NH2 ASP 114.A OD2 no hydrogen 3.186 N/A MET 98.A N.A GLN 115.A O no hydrogen 2.903 N/A MET 98.A N.B GLN 115.A O no hydrogen 2.919 N/A TYR 99.A N TYR 7.A O no hydrogen 3.076 N/A GLY 100.A N TYR 113.A O no hydrogen 3.054 N/A CYS 101.A N MET 5.A O no hydrogen 3.003 N/A ASP 102.A N ARG 111.A O no hydrogen 2.873 N/A VAL 103.A N HIS 3.A O no hydrogen 2.772 N/A GLY 104.A N ARG 108.A O no hydrogen 2.950 N/A GLY 107.A N GLY 104.A O no hydrogen 2.728 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 3.350 N/A LEU 110.A N ASP 102.A O no hydrogen 2.646 N/A ARG 111.A N ASP 102.A O no hydrogen 3.374 N/A ARG 111.A NE GLY 112.A O no hydrogen 3.251 N/A ARG 111.A NH2 GLY 112.A O no hydrogen 3.248 N/A TYR 113.A N GLY 100.A O no hydrogen 2.808 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 2.555 N/A GLN 115.A N MET 98.A O.A no hydrogen 2.760 N/A GLN 115.A N MET 98.A O.B no hydrogen 2.825 N/A TYR 116.A N ILE 124.A O no hydrogen 2.727 N/A TYR 116.A OH ASP 114.A OD1 no hydrogen 3.263 N/A TYR 116.A OH ASP 114.A OD2 no hydrogen 3.070 N/A ALA 117.A N GLN 96.A O no hydrogen 2.799 N/A TYR 118.A N LYS 121.A O no hydrogen 2.939 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.529 N/A ASP 119.A N ILE 94.A O no hydrogen 2.733 N/A LYS 121.A N TYR 118.A O no hydrogen 3.159 N/A TYR 123.A N TYR 116.A O no hydrogen 2.927 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.815 N/A ILE 124.A N TYR 116.A O no hydrogen 3.426 N/A ALA 125.A N THR 134.A O no hydrogen 3.083 N/A LEU 126.A N ASP 114.A O no hydrogen 2.774 N/A ASN 127.A N SER 132.A O no hydrogen 2.825 N/A ASN 127.A ND2 SER 132.A OG no hydrogen 2.860 N/A LEU 130.A N ASN 127.A O no hydrogen 2.911 N/A SER 131.A N ASP 129.A OD1 no hydrogen 2.985 N/A SER 131.A OG ASP 129.A O no hydrogen 3.272 N/A SER 132.A N ASP 129.A OD1 no hydrogen 3.040 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 3.103 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 2.789 N/A THR 134.A N ALA 125.A O no hydrogen 2.887 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.445 N/A ALA 136.A N TYR 123.A O no hydrogen 2.841 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 2.866 N/A GLN 141.A N ASP 137.A O no hydrogen 2.981 N/A ILE 142.A N ALA 139.A O no hydrogen 2.935 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.815 N/A GLN 144.A N ALA 140.A O no hydrogen 2.693 N/A GLN 144.A NE2 GLU 148.A OE2 no hydrogen 2.952 N/A ARG 145.A N GLN 141.A O no hydrogen 3.053 N/A LYS 146.A N ILE 142.A O no hydrogen 3.196 N/A LYS 146.A NZ TYR 84.A OH no hydrogen 2.858 N/A TRP 147.A N THR 143.A O no hydrogen 2.883 N/A GLU 148.A N GLN 144.A O no hydrogen 2.766 N/A ALA 149.A N ARG 145.A O no hydrogen 3.003 N/A ALA 150.A N LYS 146.A O no hydrogen 3.022 N/A ARG 151.A N GLU 148.A O no hydrogen 3.106 N/A ARG 151.A NH1 GLU 154.A OE2 no hydrogen 2.964 N/A VAL 152.A N TRP 147.A O no hydrogen 2.911 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.917 N/A GLN 155.A NE2 ALA 150.A O no hydrogen 3.058 N/A GLN 155.A NE2 ARG 151.A O no hydrogen 3.331 N/A ASP 156.A N VAL 152.A O no hydrogen 2.870 N/A ARG 157.A N ALA 153.A O no hydrogen 2.796 N/A ARG 157.A NE GLU 161.A OE2 no hydrogen 3.367 N/A ALA 158.A N GLU 154.A O no hydrogen 3.128 N/A TYR 159.A N GLN 155.A O no hydrogen 3.192 N/A LEU 160.A N ASP 156.A O no hydrogen 2.810 N/A GLU 161.A N ARG 157.A O no hydrogen 2.846 N/A GLY 162.A N ALA 158.A O no hydrogen 3.135 N/A GLY 162.A N TYR 159.A O no hydrogen 3.250 N/A CYS 164.A N TYR 159.A O no hydrogen 2.905 N/A GLU 166.A N GLY 162.A O no hydrogen 2.944 N/A SER 167.A N LEU 163.A O no hydrogen 2.950 N/A SER 167.A OG LEU 163.A O no hydrogen 2.715 N/A SER 167.A OG CYS 164.A O no hydrogen 3.137 N/A LEU 168.A N CYS 164.A O no hydrogen 3.107 N/A ARG 169.A N VAL 165.A O no hydrogen 3.053 N/A ARG 169.A NH1 GLY 107.A O no hydrogen 2.536 N/A ARG 170.A N GLU 166.A O no hydrogen 3.136 N/A ARG 170.A NE GLU 55.A OE1 no hydrogen 3.326 N/A ARG 170.A NE GLU 55.A OE2 no hydrogen 2.924 N/A ARG 170.A NH2 GLU 55.A OE1 no hydrogen 3.296 N/A TYR 171.A N SER 167.A O no hydrogen 2.809 N/A LEU 172.A N LEU 168.A O no hydrogen 2.810 N/A GLU 173.A N ARG 169.A O no hydrogen 3.170 N/A ASN 174.A N ARG 170.A O no hydrogen 2.848 N/A GLY 175.A N TYR 171.A O no hydrogen 2.740 N/A LYS 176.A N GLU 173.A O no hydrogen 3.336 N/A LYS 176.A NZ GLU 173.A OE2 no hydrogen 2.682 N/A THR 178.A N GLY 175.A O no hydrogen 3.022 N/A THR 178.A OG1 GLY 175.A O no hydrogen 3.173 N/A LEU 179.A N GLY 175.A O no hydrogen 2.687 N/A GLN 180.A NE2 LEU 172.A O no hydrogen 2.851 N/A ARG 181.A N THR 178.A O no hydrogen 3.282 N/A ARG 181.A NE ASP 183.A OD1 no hydrogen 2.848 N/A ARG 181.A NH1 GLU 177.A O no hydrogen 2.819 N/A ARG 181.A NH2 ASP 183.A OD2 no hydrogen 3.287 N/A ASP 183.A N TYR 209.A O no hydrogen 2.763 N/A LYS 186.A N LEU 206.A O no hydrogen 2.732 N/A HIS 188.A N TRP 204.A O no hydrogen 3.373 N/A THR 190.A N ARG 202.A O no hydrogen 2.798 N/A THR 190.A OG1 ARG 202.A O no hydrogen 3.473 N/A HIS 191.A NE2 GLU 254.A OE2 no hydrogen 2.932 N/A HIS 192.A N THR 200.A O no hydrogen 3.007 N/A ILE 194.A N GLU 198.A O no hydrogen 2.816 N/A SER 195.A N GLU 198.A O no hydrogen 3.055 N/A HIS 197.A N SER 195.A OG no hydrogen 3.131 N/A VAL 199.A N VAL 249.A O no hydrogen 2.976 N/A THR 200.A N HIS 192.A O no hydrogen 2.738 N/A LEU 201.A N VAL 247.A O no hydrogen 2.852 N/A ARG 202.A N THR 190.A O no hydrogen 3.057 N/A CYS 203.A N ALA 245.A O no hydrogen 2.717 N/A TRP 204.A N HIS 188.A O no hydrogen 2.882 N/A ALA 205.A N LYS 243.A O no hydrogen 2.821 N/A LEU 206.A N LYS 186.A O no hydrogen 2.937 N/A PHE 208.A N PHE 241.A O no hydrogen 3.286 N/A TYR 209.A N ASP 183.A O no hydrogen 2.976 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 2.644 N/A ALA 211.A N ASP 30.A OD2 no hydrogen 2.816 N/A THR 214.A N GLN 262.A O no hydrogen 2.940 N/A THR 216.A N HIS 260.A O no hydrogen 2.932 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 3.013 N/A GLN 218.A N THR 258.A O no hydrogen 2.878 N/A ARG 219.A N GLU 222.A O no hydrogen 2.810 N/A ARG 219.A NH1 GLU 253.A OE1 no hydrogen 2.819 N/A ARG 219.A NH1 TYR 257.A OH no hydrogen 2.685 N/A ARG 219.A NH2 GLU 253.A OE1 no hydrogen 2.683 N/A ASP 220.A N ARG 256.A O no hydrogen 2.895 N/A GLU 222.A N ARG 219.A O no hydrogen 2.990 N/A GLN 224.A N TRP 217.A O no hydrogen 2.944 N/A GLN 224.A NE2 GLU 222.A O no hydrogen 3.130 N/A ASP 227.A N GLN 224.A O no hydrogen 2.963 N/A THR 228.A N THR 225.A O no hydrogen 3.473 N/A THR 228.A OG1 GLN 224.A O no hydrogen 2.839 N/A GLU 229.A N ALA 246.A O no hydrogen 2.799 N/A VAL 231.A N TRP 244.A O no hydrogen 3.292 N/A ARG 234.A N GLN 242.A O no hydrogen 2.914 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 3.060 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 3.366 N/A ALA 236.A N THR 240.A O no hydrogen 2.807 N/A ARG 239.A NE ASP 183.A OD2 no hydrogen 3.236 N/A ARG 239.A NH1 THR 178.A O no hydrogen 2.670 N/A ARG 239.A NH2 THR 178.A O no hydrogen 3.465 N/A ARG 239.A NH2 ARG 181.A O no hydrogen 2.826 N/A ARG 239.A NH2 ASP 183.A OD2 no hydrogen 2.844 N/A THR 240.A N ASP 238.A OD1 no hydrogen 3.114 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.562 N/A PHE 241.A N PHE 208.A O no hydrogen 2.792 N/A GLN 242.A N ARG 234.A O no hydrogen 2.803 N/A LYS 243.A N ALA 205.A O no hydrogen 2.921 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.823 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 3.118 N/A ALA 245.A N CYS 203.A O no hydrogen 2.860 N/A ALA 246.A N GLU 229.A O no hydrogen 2.675 N/A VAL 247.A N LEU 201.A O no hydrogen 2.916 N/A VAL 249.A N VAL 199.A O no hydrogen 2.837 N/A SER 251.A N HIS 197.A O no hydrogen 2.975 N/A GLU 253.A N PRO 250.A O no hydrogen 3.039 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 2.804 N/A GLN 255.A NE2 TRP 274.A O no hydrogen 3.046 N/A ARG 256.A N GLU 253.A O no hydrogen 3.027 N/A ARG 256.A NH1 ASP 220.A OD2 no hydrogen 2.958 N/A TYR 257.A N GLU 254.A O no hydrogen 3.205 N/A THR 258.A N GLN 218.A O no hydrogen 3.037 N/A THR 258.A OG1 HIS 260.A NE2 no hydrogen 2.577 N/A CYS 259.A N LEU 272.A O no hydrogen 2.691 N/A CYS 259.A SG THR 216.A O no hydrogen 3.843 N/A HIS 260.A N THR 216.A O no hydrogen 2.605 N/A HIS 260.A NE2 THR 258.A OG1 no hydrogen 2.577 N/A VAL 261.A N LEU 270.A O no hydrogen 2.997 N/A GLN 262.A N THR 214.A O no hydrogen 2.815 N/A HIS 263.A ND1 GLU 212.A O no hydrogen 2.867 N/A HIS 263.A NE2 TYR 209.A O no hydrogen 3.141 N/A LEU 266.A N HIS 263.A O no hydrogen 2.954 N/A LEU 270.A N VAL 261.A O no hydrogen 3.111 N/A THR 271.A OG1 HIS 260.A ND1 no hydrogen 3.316 N/A LEU 272.A N CYS 259.A O no hydrogen 2.722 N/A ARG 273.A NH1 GLN 255.A O no hydrogen 2.583 N/A ARG 273.A NH1 GLN 255.A OE1 no hydrogen 3.038 N/A ARG 273.A NH2 GLN 255.A O no hydrogen 3.066 N/A