Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kgb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A NE2 ARG 222.A O no hydrogen 2.761 N/A GLU 3.A N HIS 1.A ND1 no hydrogen 2.883 N/A HIS 4.A N HIS 1.A O no hydrogen 2.938 N/A GLN 5.A N PRO 2.A O no hydrogen 2.960 N/A GLN 5.A NE2 PRO 2.A O no hydrogen 2.991 N/A GLN 5.A NE2 ARG 33.A O no hydrogen 2.784 N/A TYR 6.A OH MET 167.A O no hydrogen 2.514 N/A LEU 7.A N GLU 3.A O no hydrogen 3.003 N/A ASP 8.A N HIS 4.A O no hydrogen 2.848 N/A LEU 9.A N GLN 5.A O no hydrogen 3.061 N/A VAL 10.A N TYR 6.A O no hydrogen 2.956 N/A LYS 11.A N LEU 7.A O no hydrogen 2.839 N/A LYS 11.A NZ GLU 15.A OE2 no hydrogen 2.605 N/A HIS 12.A N ASP 8.A O no hydrogen 2.868 N/A ILE 13.A N LEU 9.A O no hydrogen 2.925 N/A LEU 14.A N VAL 10.A O no hydrogen 2.893 N/A GLU 15.A N LYS 11.A O no hydrogen 2.896 N/A ASN 16.A N HIS 12.A O no hydrogen 2.748 N/A GLY 17.A N ILE 13.A O no hydrogen 2.834 N/A ALA 18.A N SER 26.A O no hydrogen 2.696 N/A ARG 20.A N THR 24.A O no hydrogen 3.351 N/A THR 24.A N ARG 20.A O no hydrogen 3.095 N/A THR 24.A OG1 ARG 20.A O no hydrogen 3.555 N/A LEU 25.A N VAL 205.A O no hydrogen 2.878 N/A SER 26.A N ALA 18.A O no hydrogen 2.972 N/A VAL 27.A N ALA 203.A O no hydrogen 2.978 N/A GLY 29.A N GLY 201.A O no hydrogen 2.777 N/A ALA 30.A N LEU 200.A O no hydrogen 2.992 N/A MET 32.A N HIS 198.A O no hydrogen 2.938 N/A ARG 33.A N GLN 5.A OE1 no hydrogen 2.886 N/A ARG 33.A NE GLU 195.A OE2 no hydrogen 2.695 N/A ARG 33.A NH1 GLU 195.A OE1 no hydrogen 2.784 N/A PHE 34.A N PHE 196.A O no hydrogen 2.887 N/A LEU 36.A N GLY 194.A O no hydrogen 2.809 N/A GLU 37.A N SER 35.A OG no hydrogen 3.124 N/A ASN 39.A ND2 LEU 227.A O no hydrogen 3.291 N/A THR 40.A N GLU 37.A O no hydrogen 2.977 N/A THR 40.A OG1 GLU 37.A O no hydrogen 2.835 N/A PHE 41.A N PRO 225.A O no hydrogen 2.980 N/A LEU 43.A N PHE 41.A O no hydrogen 2.724 N/A THR 45.A N GLU 3.A OE1 no hydrogen 2.911 N/A THR 45.A OG1 GLU 3.A OE1 no hydrogen 2.761 N/A THR 45.A OG1 ARG 222.A O no hydrogen 3.203 N/A THR 46.A N GLU 3.A OE2 no hydrogen 2.896 N/A THR 46.A OG1 GLU 3.A OE2 no hydrogen 2.590 N/A VAL 49.A N TYR 251.A OH no hydrogen 2.812 N/A VAL 54.A N PHE 50.A O no hydrogen 2.979 N/A VAL 55.A N TYR 51.A O no hydrogen 3.029 N/A GLU 56.A N ARG 52.A O no hydrogen 2.980 N/A GLU 57.A N GLY 53.A O no hydrogen 2.910 N/A LEU 58.A N VAL 54.A O no hydrogen 2.967 N/A LEU 59.A N VAL 55.A O no hydrogen 2.869 N/A PHE 60.A N GLU 56.A O no hydrogen 2.819 N/A PHE 61.A N GLU 57.A O no hydrogen 2.986 N/A LEU 62.A N LEU 58.A O no hydrogen 2.911 N/A ARG 63.A N LEU 59.A O no hydrogen 2.955 N/A ARG 63.A NE GLU 65.A OE2 no hydrogen 3.107 N/A ARG 63.A NH2 GLU 65.A OE2 no hydrogen 3.319 N/A GLY 64.A N PHE 61.A O no hydrogen 2.919 N/A GLU 65.A N PHE 60.A O no hydrogen 3.271 N/A THR 66.A OG1 TYR 94.A OH no hydrogen 3.060 N/A VAL 70.A N ASP 67.A O no hydrogen 3.001 N/A GLU 72.A N SER 68.A O no hydrogen 3.015 N/A LYS 73.A N LYS 69.A O no hydrogen 3.089 N/A LYS 74.A N LEU 71.A O no hydrogen 2.854 N/A GLY 75.A N GLU 72.A O no hydrogen 3.107 N/A VAL 76.A N LEU 71.A O no hydrogen 3.233 N/A LEU 79.A N THR 66.A O no hydrogen 3.043 N/A GLY 80.A N ASP 78.A OD2 no hydrogen 2.773 N/A ILE 82.A N GLY 80.A O no hydrogen 2.848 N/A GLN 86.A N ILE 82.A O no hydrogen 3.290 N/A GLN 86.A NE2 PRO 81.A O no hydrogen 2.738 N/A TRP 87.A N TYR 83.A O no hydrogen 2.773 N/A ARG 88.A N GLY 84.A O no hydrogen 2.781 N/A ARG 88.A NE ASP 107.A OD1 no hydrogen 3.024 N/A ARG 88.A NH1 LEU 62.A O no hydrogen 2.791 N/A ARG 88.A NH1 GLU 239.A OE2 no hydrogen 2.976 N/A ARG 88.A NH2 ASP 107.A OD1 no hydrogen 3.092 N/A ARG 88.A NH2 ASP 107.A OD2 no hydrogen 2.723 N/A HIS 89.A N PHE 85.A O no hydrogen 2.641 N/A HIS 89.A ND1 LYS 104.A O no hydrogen 2.817 N/A PHE 90.A N VAL 106.A O no hydrogen 3.094 N/A ALA 92.A N HIS 89.A O no hydrogen 3.156 N/A TYR 94.A OH THR 66.A OG1 no hydrogen 3.060 N/A TYR 94.A OH ASP 78.A OD1 no hydrogen 3.351 N/A TYR 94.A OH ASP 78.A OD2 no hydrogen 2.767 N/A GLU 95.A N TYR 101.A OH no hydrogen 2.713 N/A THR 96.A OG1 ASP 78.A OD1 no hydrogen 3.525 N/A SER 97.A N ASP 78.A OD1 no hydrogen 2.665 N/A ALA 98.A N THR 96.A OG1 no hydrogen 3.112 N/A SER 99.A N THR 96.A O no hydrogen 3.268 N/A TYR 101.A OH THR 96.A O no hydrogen 3.055 N/A LYS 104.A N TYR 101.A O no hydrogen 2.809 N/A VAL 106.A N PHE 90.A O no hydrogen 2.947 N/A GLN 108.A N TRP 87.A O no hydrogen 2.916 N/A GLN 108.A NE2 GLN 86.A O no hydrogen 2.770 N/A GLN 108.A NE2 SER 128.A O no hydrogen 2.587 N/A ALA 110.A N ASP 107.A OD1 no hydrogen 3.018 N/A SER 111.A N ASP 107.A O no hydrogen 3.002 N/A ALA 112.A N GLN 108.A O no hydrogen 2.885 N/A ILE 113.A N ILE 109.A O no hydrogen 2.977 N/A ALA 114.A N ALA 110.A O no hydrogen 3.020 N/A ALA 115.A N SER 111.A O no hydrogen 3.057 N/A ILE 116.A N ALA 112.A O no hydrogen 2.861 N/A ARG 117.A N ILE 113.A O no hydrogen 3.056 N/A ARG 117.A NH2 LEU 188.A O no hydrogen 2.883 N/A ALA 118.A N ALA 114.A O no hydrogen 2.874 N/A ASN 119.A N ALA 115.A O no hydrogen 2.756 N/A SER 122.A N ASN 119.A O no hydrogen 2.843 N/A ARG 124.A N SER 122.A OG no hydrogen 2.951 N/A VAL 126.A N ARG 124.A O no hydrogen 2.966 N/A VAL 127.A N PHE 147.A O no hydrogen 2.817 N/A SER 128.A N GLN 108.A OE1 no hydrogen 2.802 N/A ALA 129.A N VAL 145.A O no hydrogen 2.809 N/A TRP 130.A N SER 128.A OG no hydrogen 3.088 N/A THR 133.A N ASN 131.A OD1 no hydrogen 3.315 N/A THR 133.A OG1 ASN 131.A OD1 no hydrogen 2.828 N/A ASP 134.A N ASN 131.A O no hydrogen 3.057 N/A SER 137.A N ASP 134.A OD2 no hydrogen 3.348 N/A MET 138.A N ASP 134.A O no hydrogen 2.751 N/A ALA 139.A N GLY 136.A O no hydrogen 3.155 N/A LEU 140.A N SER 137.A O no hydrogen 2.930 N/A HIS 144.A N TYR 83.A OH no hydrogen 3.043 N/A HIS 144.A ND1 TYR 178.A OH no hydrogen 2.570 N/A VAL 145.A N TYR 161.A O no hydrogen 2.934 N/A PHE 147.A N VAL 127.A O no hydrogen 2.938 N/A GLN 148.A N ALA 159.A O no hydrogen 2.768 N/A PHE 149.A N ILE 125.A O no hydrogen 2.934 N/A ASN 150.A N SER 157.A O no hydrogen 2.935 N/A THR 152.A N LYS 155.A O no hydrogen 3.127 N/A THR 152.A OG1 ASN 150.A OD1 no hydrogen 2.728 N/A LYS 155.A N THR 152.A O no hydrogen 2.905 N/A LYS 155.A NZ THR 152.A O no hydrogen 3.546 N/A LEU 156.A N GLN 192.A O no hydrogen 2.689 N/A SER 157.A N ASN 150.A O no hydrogen 2.773 N/A CYS 158.A N GLU 195.A O no hydrogen 2.960 N/A CYS 158.A SG GLN 148.A O no hydrogen 3.990 N/A ALA 159.A N GLN 148.A O no hydrogen 2.886 N/A MET 160.A N VAL 197.A O no hydrogen 3.048 N/A TYR 161.A N LEU 146.A O no hydrogen 2.900 N/A GLN 162.A N PHE 199.A O no hydrogen 2.799 N/A GLN 162.A NE2 SER 164.A O no hydrogen 3.083 N/A GLN 162.A NE2 ASN 174.A OD1 no hydrogen 2.922 N/A ARG 163.A N CYS 143.A O no hydrogen 2.809 N/A ARG 163.A NE PRO 142.A O no hydrogen 2.794 N/A ARG 163.A NH2 PRO 141.A O no hydrogen 3.011 N/A GLY 165.A N ASP 202.A O no hydrogen 2.826 N/A MET 167.A N HIS 204.A O no hydrogen 2.928 N/A LEU 169.A N ASP 166.A OD1 no hydrogen 3.056 N/A GLY 170.A N ASP 166.A OD1 no hydrogen 2.810 N/A VAL 171.A N ASP 166.A O no hydrogen 2.855 N/A PHE 173.A N LEU 169.A O no hydrogen 3.295 N/A ASN 174.A N GLY 170.A O no hydrogen 2.855 N/A ILE 175.A N VAL 171.A O no hydrogen 2.915 N/A ALA 176.A N PRO 172.A O no hydrogen 3.135 N/A SER 177.A N PHE 173.A O no hydrogen 2.956 N/A SER 177.A OG PHE 173.A O no hydrogen 2.934 N/A TYR 178.A N ASN 174.A O no hydrogen 3.101 N/A TYR 178.A OH HIS 144.A ND1 no hydrogen 2.570 N/A SER 179.A N ILE 175.A O no hydrogen 3.044 N/A SER 179.A OG ILE 175.A O no hydrogen 2.797 N/A LEU 180.A N ALA 176.A O no hydrogen 2.852 N/A LEU 181.A N SER 177.A O no hydrogen 2.878 N/A THR 182.A N TYR 178.A O no hydrogen 3.080 N/A THR 182.A OG1 TYR 178.A O no hydrogen 2.839 N/A ILE 183.A N SER 179.A O no hydrogen 3.026 N/A LEU 184.A N LEU 180.A O no hydrogen 2.862 N/A VAL 185.A N LEU 181.A O no hydrogen 2.888 N/A ALA 186.A N THR 182.A O no hydrogen 2.671 N/A HIS 187.A N ILE 183.A O no hydrogen 3.011 N/A LEU 188.A N LEU 184.A O no hydrogen 2.980 N/A THR 189.A N VAL 185.A O no hydrogen 3.002 N/A THR 189.A N ALA 186.A O no hydrogen 3.286 N/A THR 189.A OG1 VAL 185.A O no hydrogen 2.734 N/A THR 189.A OG1 ALA 186.A O no hydrogen 3.299 N/A GLY 190.A N HIS 187.A O no hydrogen 3.185 N/A LEU 191.A N ALA 186.A O no hydrogen 2.794 N/A GLN 192.A N GLY 154.A O no hydrogen 2.993 N/A GLY 194.A N LEU 156.A O no hydrogen 2.616 N/A GLU 195.A N SER 157.A OG no hydrogen 2.962 N/A PHE 196.A N PHE 34.A O no hydrogen 2.900 N/A VAL 197.A N CYS 158.A O no hydrogen 2.866 N/A HIS 198.A N MET 32.A O no hydrogen 2.691 N/A HIS 198.A NE2 GLN 162.A OE1 no hydrogen 2.596 N/A PHE 199.A N MET 160.A O no hydrogen 2.921 N/A LEU 200.A N ALA 30.A O no hydrogen 2.703 N/A GLY 201.A N GLN 162.A O no hydrogen 2.739 N/A ASP 202.A N ARG 163.A O no hydrogen 2.899 N/A ALA 203.A N VAL 27.A O no hydrogen 2.936 N/A HIS 204.A N GLY 165.A O no hydrogen 2.943 N/A HIS 204.A ND1 ASP 202.A OD2 no hydrogen 2.893 N/A VAL 205.A N LEU 25.A O no hydrogen 2.774 N/A HIS 209.A N TYR 206.A O no hydrogen 2.945 N/A VAL 210.A N LEU 207.A O no hydrogen 3.223 N/A LEU 213.A N HIS 209.A O no hydrogen 2.808 N/A ARG 214.A N VAL 210.A O no hydrogen 2.923 N/A GLN 215.A N ASP 211.A O no hydrogen 3.284 N/A GLN 216.A N SER 212.A O no hydrogen 2.894 N/A GLN 216.A NE2 THR 46.A OG1 no hydrogen 2.813 N/A ILE 217.A N LEU 213.A O no hydrogen 2.965 N/A GLN 218.A N GLN 215.A O no hydrogen 3.123 N/A ARG 219.A N GLN 216.A O no hydrogen 3.030 N/A ARG 219.A NH2 THR 46.A O no hydrogen 2.740 N/A ARG 222.A N THR 45.A OG1 no hydrogen 2.846 N/A ARG 222.A NE ASP 252.A O no hydrogen 2.887 N/A ARG 222.A NH1 ASP 252.A O no hydrogen 3.152 N/A ARG 222.A NH1 ASP 252.A OD1 no hydrogen 3.461 N/A LYS 226.A N VAL 249.A O no hydrogen 2.711 N/A LEU 227.A N ASN 39.A O no hydrogen 2.777 N/A PHE 228.A N GLU 247.A O no hydrogen 2.985 N/A SER 230.A N ASP 245.A O no hydrogen 2.784 N/A LYS 232.A N ASP 245.A OD1 no hydrogen 3.232 N/A LYS 232.A NZ SER 230.A O no hydrogen 2.726 N/A LYS 232.A NZ GLU 244.A O no hydrogen 2.987 N/A ARG 235.A NE ASP 245.A OD2 no hydrogen 2.832 N/A ARG 235.A NH1 PRO 234.A O no hydrogen 3.183 N/A ARG 235.A NH2 ASP 245.A OD1 no hydrogen 2.960 N/A ARG 235.A NH2 ASP 245.A OD2 no hydrogen 3.409 N/A GLU 237.A N HIS 240.A ND1 no hydrogen 3.267 N/A GLU 239.A N GLU 239.A OE2 no hydrogen 2.490 N/A HIS 240.A N GLU 237.A O no hydrogen 3.110 N/A PHE 241.A N PRO 238.A O no hydrogen 3.225 N/A GLN 242.A N ASP 245.A OD2 no hydrogen 2.992 N/A GLN 242.A NE2 HIS 240.A O no hydrogen 2.977 N/A ASP 245.A N GLN 242.A O no hydrogen 2.928 N/A PHE 246.A N TYR 243.A O no hydrogen 3.236 N/A GLU 247.A N PHE 228.A O no hydrogen 3.067 N/A VAL 249.A N LYS 226.A O no hydrogen 2.782 N/A TYR 251.A OH LEU 44.A O no hydrogen 2.688 N/A HIS 254.A N THR 45.A O no hydrogen 2.675 N/A HIS 254.A NE2 PRO 220.A O no hydrogen 2.716 N/A