Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4buz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A NZ ASP 8.A OD2 no hydrogen 2.986 N/A LEU 7.A N MET 3.A O no hydrogen 2.886 N/A ASP 8.A N LYS 4.A O no hydrogen 2.913 N/A LEU 9.A N GLU 5.A O no hydrogen 3.174 N/A LEU 10.A N PHE 6.A O no hydrogen 2.960 N/A ASN 11.A N LEU 7.A O no hydrogen 2.874 N/A GLU 12.A N ASP 8.A O no hydrogen 3.052 N/A SER 13.A N LEU 9.A O no hydrogen 3.007 N/A SER 13.A OG THR 16.A OG1 no hydrogen 2.694 N/A SER 13.A OG SER 173.A OG no hydrogen 2.626 N/A ARG 14.A NH1 ARG 171.A O no hydrogen 3.133 N/A ARG 14.A NH2 ARG 171.A O no hydrogen 2.470 N/A LEU 15.A N SER 173.A OG no hydrogen 3.145 N/A THR 16.A OG1 SER 13.A OG no hydrogen 2.694 N/A VAL 17.A N LEU 174.A O no hydrogen 2.950 N/A THR 18.A N ALA 85.A O no hydrogen 3.185 N/A THR 18.A OG1 ALA 85.A O no hydrogen 3.245 N/A LEU 19.A N ILE 176.A O no hydrogen 2.860 N/A THR 20.A N ILE 87.A O no hydrogen 2.854 N/A THR 20.A OG1 THR 88.A OG1 no hydrogen 2.720 N/A THR 20.A OG1 HIS 95.A NE2 no hydrogen 2.775 N/A GLY 21.A N LEU 178.A O no hydrogen 3.051 N/A GLY 23.A N GLY 179.A O no hydrogen 2.754 N/A ILE 24.A N GLY 21.A O no hydrogen 3.046 N/A SER 25.A N ALA 22.A O no hydrogen 3.077 N/A SER 25.A OG HIS 71.A NE2 no hydrogen 3.078 N/A SER 25.A OG ASP 92.A OD2 no hydrogen 2.618 N/A THR 26.A OG1 GLY 23.A O no hydrogen 3.472 N/A SER 28.A N SER 25.A O no hydrogen 2.921 N/A SER 28.A OG LYS 66.A O no hydrogen 2.756 N/A GLY 29.A N THR 26.A O no hydrogen 2.939 N/A ILE 30.A N SER 25.A O no hydrogen 3.401 N/A VAL 38.A N SER 35.A O no hydrogen 3.391 N/A ASP 40.A N ASN 37.A O no hydrogen 2.915 N/A ILE 41.A N PHE 153.A O no hydrogen 3.003 N/A PHE 43.A N ASP 42.A OD1 no hydrogen 2.914 N/A PHE 44.A N ASP 40.A O no hydrogen 3.005 N/A TYR 45.A N ILE 41.A O no hydrogen 3.218 N/A SER 46.A N ASP 42.A O no hydrogen 3.083 N/A SER 46.A OG ASP 42.A O no hydrogen 2.941 N/A HIS 47.A N PHE 43.A O no hydrogen 2.825 N/A HIS 47.A ND1 GLU 49.A OE2 no hydrogen 3.170 N/A PHE 51.A N HIS 47.A O no hydrogen 3.060 N/A TYR 52.A N PRO 48.A O no hydrogen 2.909 N/A TYR 52.A OH ILE 146.A O no hydrogen 2.609 N/A ARG 53.A N GLU 49.A O no hydrogen 2.994 N/A ARG 53.A NH1.A GLU 50.A OE1 no hydrogen 2.799 N/A ARG 53.A NH2.B GLU 50.A OE1 no hydrogen 2.710 N/A PHE 54.A N GLU 50.A O no hydrogen 2.957 N/A ALA 55.A N PHE 51.A O no hydrogen 2.872 N/A LYS 56.A N TYR 52.A O no hydrogen 3.324 N/A GLU 57.A N PHE 54.A O no hydrogen 2.870 N/A GLY 58.A N PHE 54.A O no hydrogen 2.696 N/A ILE 59.A N ALA 55.A O no hydrogen 2.939 N/A PHE 60.A N ALA 55.A O no hydrogen 2.733 N/A MET 62.A N ILE 59.A O no hydrogen 2.958 N/A LEU 63.A N PHE 60.A O no hydrogen 3.041 N/A GLN 64.A N PRO 61.A O no hydrogen 3.192 N/A ALA 65.A N MET 62.A O no hydrogen 3.024 N/A ASN 68.A N HIS 71.A ND1 no hydrogen 3.012 N/A ASN 68.A ND2 ILE 24.A O no hydrogen 2.853 N/A ASN 68.A ND2 SER 28.A OG no hydrogen 2.895 N/A ALA 70.A N ASN 68.A OD1 no hydrogen 2.844 N/A HIS 71.A N ASN 68.A OD1 no hydrogen 3.270 N/A HIS 71.A NE2 SER 25.A OG no hydrogen 3.078 N/A VAL 72.A N ASN 68.A O no hydrogen 2.947 N/A LEU 73.A N LEU 69.A O no hydrogen 2.802 N/A LEU 74.A N ALA 70.A O no hydrogen 3.173 N/A ALA 75.A N HIS 71.A O no hydrogen 3.175 N/A LYS 76.A N VAL 72.A O no hydrogen 2.966 N/A LEU 77.A N LEU 73.A O no hydrogen 2.882 N/A GLU 78.A N LEU 74.A O no hydrogen 2.979 N/A GLU 79.A N ALA 75.A O no hydrogen 2.985 N/A LYS 80.A N LYS 76.A O no hydrogen 3.025 N/A GLY 81.A N GLU 78.A O no hydrogen 2.829 N/A LEU 82.A N LEU 77.A O no hydrogen 2.793 N/A GLU 84.A N THR 16.A O no hydrogen 2.808 N/A VAL 86.A N LYS 102.A O no hydrogen 2.957 N/A ILE 87.A N THR 18.A O no hydrogen 2.861 N/A THR 88.A N ILE 104.A O no hydrogen 2.841 N/A THR 88.A OG1 THR 20.A OG1 no hydrogen 2.720 N/A GLN 89.A N THR 20.A O no hydrogen 2.935 N/A GLN 89.A NE2 THR 20.A O no hydrogen 3.692 N/A GLN 89.A NE2 SER 180.A OG no hydrogen 2.834 N/A ASN 90.A N THR 88.A OG1 no hydrogen 2.970 N/A ASN 90.A ND2 GLY 21.A O no hydrogen 2.984 N/A ARG 93.A NE GLU 105.A OE1 no hydrogen 3.481 N/A ARG 93.A NE GLU 105.A OE2 no hydrogen 2.845 N/A ARG 93.A NH1 GLU 111.A OE1 no hydrogen 2.873 N/A ARG 93.A NH1 GLU 112.A OE2.B no hydrogen 2.898 N/A ARG 93.A NH2 GLU 105.A OE1 no hydrogen 2.946 N/A ARG 93.A NH2 GLU 112.A OE2.B no hydrogen 3.064 N/A LEU 94.A N ASP 92.A OD1 no hydrogen 2.875 N/A HIS 95.A NE2 THR 20.A OG1 no hydrogen 2.775 N/A GLN 96.A N GLN 96.A OE1 no hydrogen 2.760 N/A GLN 96.A NE2 GLU 105.A OE2 no hydrogen 2.942 N/A ARG 97.A N ARG 93.A O no hydrogen 3.093 N/A ARG 97.A NE.B ALA 65.A O no hydrogen 3.398 N/A ARG 97.A NH1.A LEU 63.A O no hydrogen 3.194 N/A ARG 97.A NH1.A ALA 65.A O no hydrogen 3.005 N/A ARG 97.A NH2.A GLU 111.A OE2 no hydrogen 3.284 N/A ARG 97.A NH2.B ALA 65.A O no hydrogen 2.916 N/A ALA 98.A N LEU 94.A O no hydrogen 2.931 N/A GLY 99.A N GLN 96.A O no hydrogen 3.080 N/A SER 100.A N HIS 95.A O no hydrogen 3.031 N/A SER 100.A OG HIS 95.A O no hydrogen 3.424 N/A LYS 101.A N GLU 78.A OE1.A no hydrogen 2.710 N/A LYS 101.A N GLU 78.A OE1.B no hydrogen 3.066 N/A LYS 102.A N GLU 78.A OE1.B no hydrogen 3.257 N/A LYS 102.A N GLU 78.A OE2.A no hydrogen 2.872 N/A LYS 102.A NZ GLU 164.A OE1 no hydrogen 3.321 N/A LYS 102.A NZ GLU 164.A OE2 no hydrogen 2.625 N/A ILE 104.A N VAL 86.A O no hydrogen 2.717 N/A LEU 106.A N THR 88.A O no hydrogen 2.956 N/A HIS 107.A ND1 GLN 89.A O no hydrogen 3.111 N/A ASN 109.A N ASN 149.A O no hydrogen 3.017 N/A ASN 109.A ND2 GLU 112.A OE1.A no hydrogen 3.012 N/A ASN 109.A ND2 GLU 112.A OE1.B no hydrogen 2.492 N/A VAL 110.A N ILE 91.A O no hydrogen 2.917 N/A GLU 111.A N ASN 109.A OD1 no hydrogen 2.929 N/A GLU 112.A N ASN 109.A OD1 no hydrogen 3.029 N/A TYR 113.A N TYR 122.A O no hydrogen 2.823 N/A TYR 114.A N ARG 147.A O no hydrogen 2.973 N/A CYS 115.A N LYS 120.A O no hydrogen 2.925 N/A VAL 116.A N LEU 145.A O no hydrogen 2.791 N/A ARG 117.A NH1 ARG 117.A O no hydrogen 3.204 N/A GLU 119.A N CYS 115.A O no hydrogen 2.832 N/A TYR 122.A N TYR 113.A O no hydrogen 2.838 N/A TYR 122.A OH ASP 140.A OD2 no hydrogen 3.249 N/A THR 123.A N ASP 126.A OD2 no hydrogen 2.876 N/A VAL 124.A N GLU 111.A O no hydrogen 2.945 N/A ASP 126.A N THR 123.A OG1 no hydrogen 3.086 N/A VAL 127.A N THR 123.A O no hydrogen 3.095 N/A ILE 128.A N VAL 124.A O no hydrogen 2.866 N/A LYS 129.A N GLU 125.A O no hydrogen 2.934 N/A LYS 130.A N ASP 126.A O no hydrogen 2.933 N/A LYS 130.A NZ LEU 138.A O no hydrogen 2.957 N/A LYS 130.A NZ ASP 140.A OD1 no hydrogen 2.969 N/A LYS 130.A NZ ASP 140.A OD2 no hydrogen 3.476 N/A LEU 131.A N VAL 127.A O no hydrogen 2.860 N/A GLU 132.A N LYS 129.A O no hydrogen 3.005 N/A SER 133.A N LYS 130.A O no hydrogen 3.180 N/A SER 133.A OG LYS 130.A O no hydrogen 3.509 N/A SER 134.A OG VAL 136.A O no hydrogen 2.906 N/A CYS 139.A N SER 144.A O no hydrogen 2.703 N/A CYS 139.A SG TYR 122.A OH no hydrogen 3.656 N/A ASP 140.A N TYR 122.A OH no hydrogen 2.827 N/A CYS 142.A SG SER 144.A OG no hydrogen 3.388 N/A ASN 143.A N CYS 139.A O no hydrogen 2.982 N/A ILE 146.A N PRO 137.A O no hydrogen 2.913 N/A ARG 147.A N TYR 114.A O no hydrogen 2.855 N/A ARG 147.A NE PRO 148.A O no hydrogen 2.974 N/A ARG 147.A NH1 GLU 155.A OE2 no hydrogen 2.746 N/A ARG 147.A NH2 PRO 148.A O no hydrogen 3.306 N/A ARG 147.A NH2 GLU 155.A OE1 no hydrogen 2.933 N/A ARG 147.A NH2 GLU 155.A OE2 no hydrogen 3.536 N/A ASN 149.A N GLU 112.A O no hydrogen 2.832 N/A ASN 149.A ND2 GLU 112.A OE1.A no hydrogen 2.766 N/A ASN 149.A ND2 GLU 112.A OE1.B no hydrogen 3.340 N/A VAL 151.A N HIS 107.A O no hydrogen 2.797 N/A PHE 152.A N GLU 155.A OE1 no hydrogen 3.027 N/A PHE 153.A N PHE 39.A O no hydrogen 2.849 N/A GLU 155.A N PHE 152.A O no hydrogen 3.008 N/A LEU 162.A N PRO 158.A O no hydrogen 3.040 N/A ARG 163.A N.A GLN 159.A O no hydrogen 2.985 N/A ARG 163.A N.B GLN 159.A O no hydrogen 2.950 N/A ARG 163.A NH1.B ARG 163.A O.B no hydrogen 2.972 N/A GLU 164.A N ASP 160.A O no hydrogen 2.921 N/A ALA 165.A N ALA 161.A O no hydrogen 2.831 N/A ILE 166.A N LEU 162.A O no hydrogen 2.903 N/A GLY 167.A N ARG 163.A O.A no hydrogen 2.879 N/A GLY 167.A N ARG 163.A O.B no hydrogen 2.956 N/A LEU 168.A N GLU 164.A O no hydrogen 2.858 N/A SER 169.A N ALA 165.A O no hydrogen 2.917 N/A SER 169.A OG ALA 165.A O no hydrogen 2.815 N/A SER 170.A N ILE 166.A O no hydrogen 2.903 N/A SER 170.A OG ILE 166.A O no hydrogen 3.563 N/A SER 170.A OG GLY 167.A O no hydrogen 2.786 N/A ARG 171.A N GLY 167.A O no hydrogen 3.150 N/A ARG 171.A N LEU 168.A O no hydrogen 3.152 N/A ARG 171.A NE.B GLY 167.A O no hydrogen 3.300 N/A SER 173.A N LEU 15.A O no hydrogen 2.829 N/A SER 173.A OG SER 13.A OG no hydrogen 2.626 N/A SER 173.A OG LEU 15.A O no hydrogen 3.214 N/A LEU 174.A N LEU 15.A O no hydrogen 3.281 N/A MET 175.A N.A LYS 200.A O no hydrogen 2.915 N/A MET 175.A N.B LYS 200.A O no hydrogen 2.917 N/A ILE 176.A N VAL 17.A O no hydrogen 2.920 N/A VAL 177.A N VAL 202.A O no hydrogen 2.895 N/A LEU 178.A N LEU 19.A O no hydrogen 2.914 N/A GLY 179.A N VAL 204.A O no hydrogen 2.948 N/A LEU 182.A N SER 180.A OG no hydrogen 3.231 N/A ALA 188.A N VAL 184.A O no hydrogen 2.886 N/A GLU 189.A N PRO 186.A O no hydrogen 2.987 N/A LEU 190.A N ALA 187.A O no hydrogen 3.079 N/A ILE 193.A N GLU 189.A O no hydrogen 2.989 N/A THR 194.A N LEU 190.A O no hydrogen 3.094 N/A THR 194.A OG1 SER 169.A O no hydrogen 2.797 N/A THR 194.A OG1 LEU 190.A O no hydrogen 3.530 N/A VAL 195.A N PRO 191.A O no hydrogen 2.937 N/A ARG 196.A N LEU 192.A O no hydrogen 2.821 N/A SER 197.A N ILE 193.A O no hydrogen 2.926 N/A SER 197.A OG ILE 193.A O no hydrogen 2.633 N/A GLY 198.A N VAL 195.A O no hydrogen 3.018 N/A GLY 199.A N THR 194.A O no hydrogen 2.943 N/A LYS 200.A N SER 173.A O no hydrogen 2.914 N/A VAL 202.A N MET 175.A O.A no hydrogen 2.882 N/A VAL 202.A N MET 175.A O.B no hydrogen 2.954 N/A ILE 203.A N LEU 217.A O no hydrogen 3.059 N/A VAL 204.A N VAL 177.A O no hydrogen 2.712 N/A ASN 205.A N TYR 219.A O no hydrogen 3.010 N/A ASN 205.A ND2 GLY 207.A O no hydrogen 3.140 N/A THR 209.A N ASP 212.A OD2 no hydrogen 2.952 N/A THR 209.A OG1 ASP 212.A OD1 no hydrogen 2.860 N/A PHE 211.A N THR 209.A OG1 no hydrogen 3.038 N/A ASP 212.A N THR 209.A O no hydrogen 3.129 N/A ILE 214.A N PHE 211.A O no hydrogen 2.954 N/A ALA 215.A N ASP 212.A O no hydrogen 3.245 N/A THR 216.A N LEU 201.A O no hydrogen 2.633 N/A LEU 217.A N LEU 201.A O no hydrogen 3.306 N/A LYS 218.A NZ GLY 207.A O no hydrogen 2.827 N/A LYS 218.A NZ ASP 212.A OD1 no hydrogen 3.078 N/A LYS 218.A NZ ASP 212.A OD2 no hydrogen 3.021 N/A LYS 218.A NZ ASN 220.A OD1.B no hydrogen 3.172 N/A TYR 219.A N ILE 203.A O no hydrogen 2.755 N/A TYR 219.A OH LYS 2.A O no hydrogen 2.849 N/A GLU 225.A N ASP 222.A OD2 no hydrogen 3.102 N/A PHE 226.A N ASP 222.A O no hydrogen 2.938 N/A ALA 227.A N VAL 223.A O.A no hydrogen 3.001 N/A ALA 227.A N VAL 223.A O.B no hydrogen 2.925 N/A ARG 228.A N VAL 224.A O no hydrogen 2.860 N/A ARG 228.A NE GLU 225.A OE1 no hydrogen 2.860 N/A ARG 228.A NH2 GLU 225.A OE1 no hydrogen 3.511 N/A ARG 228.A NH2 GLU 225.A OE2 no hydrogen 2.637 N/A ARG 229.A N GLU 225.A O no hydrogen 3.011 N/A ARG 229.A NH1 GLU 232.A OE1 no hydrogen 2.694 N/A ARG 229.A NH1 GLU 233.A OE2 no hydrogen 2.886 N/A ARG 229.A NH2 GLU 233.A OE2 no hydrogen 3.049 N/A VAL 230.A N PHE 226.A O no hydrogen 2.918 N/A MET 231.A N ALA 227.A O no hydrogen 2.976 N/A GLU 232.A N ARG 228.A O no hydrogen 2.950 N/A GLU 233.A N ARG 229.A O no hydrogen 2.837 N/A ILE 236.A N MET 231.A O no hydrogen 2.977 N/A SER 237.A N MET 231.A O no hydrogen 3.261 N/A SER 237.A OG ILE 236.A O no hydrogen 2.457 N/A