Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bn1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 7.A OD2 no hydrogen 2.572 N/A ASP 7.A N ALA 4.A O no hydrogen 2.742 N/A PHE 8.A N LEU 5.A O no hydrogen 3.053 N/A GLU 9.A N ARG 26.A O no hydrogen 2.874 N/A GLY 11.A N LEU 24.A O no hydrogen 2.549 N/A LEU 14.A N VAL 22.A O no hydrogen 2.588 N/A GLY 15.A N VAL 22.A O no hydrogen 3.400 N/A LYS 16.A NZ ASN 21.A OD1 no hydrogen 2.666 N/A LYS 16.A NZ TYR 23.A OH no hydrogen 3.520 N/A GLY 17.A N GLY 20.A O no hydrogen 2.516 N/A ASN 21.A N VAL 38.A O no hydrogen 2.993 N/A ASN 21.A ND2 VAL 38.A O no hydrogen 3.567 N/A VAL 22.A N GLY 15.A O no hydrogen 2.846 N/A TYR 23.A N LEU 36.A O no hydrogen 2.932 N/A LEU 24.A N ARG 12.A O no hydrogen 3.058 N/A ALA 25.A N LEU 34.A O no hydrogen 2.883 N/A ARG 26.A N GLU 9.A O no hydrogen 2.663 N/A ARG 26.A NE GLU 9.A OE1 no hydrogen 3.268 N/A ARG 26.A NH2 GLU 9.A OE1 no hydrogen 2.424 N/A GLU 27.A N PHE 32.A O no hydrogen 2.892 N/A LYS 28.A N ASP 7.A O no hydrogen 2.861 N/A LYS 28.A NZ GLU 6.A O no hydrogen 2.834 N/A GLN 29.A N GLU 27.A OE2 no hydrogen 2.561 N/A SER 30.A N GLU 27.A OE1 no hydrogen 2.968 N/A SER 30.A OG GLU 27.A OE1 no hydrogen 2.689 N/A LYS 31.A N GLU 27.A O no hydrogen 2.598 N/A PHE 32.A N SER 30.A OG no hydrogen 3.240 N/A LEU 34.A N ALA 25.A O no hydrogen 2.918 N/A ALA 35.A N LEU 85.A O no hydrogen 2.943 N/A LEU 36.A N TYR 23.A O no hydrogen 2.811 N/A LYS 37.A N LEU 83.A O no hydrogen 2.825 N/A LYS 37.A NZ GLU 56.A OE2 no hydrogen 2.717 N/A VAL 38.A N ASN 21.A O no hydrogen 2.722 N/A LEU 39.A N VAL 81.A O no hydrogen 2.722 N/A LYS 41.A N THR 79.A O no hydrogen 3.001 N/A GLN 43.A NE2 LYS 18.A O no hydrogen 2.674 N/A LEU 44.A N PHE 40.A O no hydrogen 2.937 N/A GLU 45.A N LYS 41.A O no hydrogen 2.857 N/A LYS 46.A N ALA 42.A O no hydrogen 2.800 N/A MET 49.A N LEU 44.A O no hydrogen 3.128 N/A GLN 52.A N MET 49.A O no hydrogen 3.218 N/A LEU 53.A N MET 49.A O no hydrogen 3.415 N/A ARG 54.A N GLU 50.A O no hydrogen 3.496 N/A ARG 55.A N HIS 51.A O no hydrogen 3.049 N/A ARG 55.A NH1 GLY 151.A O no hydrogen 2.672 N/A GLU 56.A N GLN 52.A O no hydrogen 2.706 N/A VAL 57.A N LEU 53.A O no hydrogen 2.982 N/A GLU 58.A N ARG 54.A O no hydrogen 2.862 N/A ILE 59.A N ARG 55.A O no hydrogen 2.908 N/A GLN 60.A N GLU 56.A O no hydrogen 2.972 N/A GLN 60.A NE2 LEU 69.A O no hydrogen 2.888 N/A SER 61.A N VAL 57.A O no hydrogen 2.975 N/A SER 61.A OG VAL 57.A O no hydrogen 2.981 N/A SER 61.A OG GLU 58.A O no hydrogen 3.135 N/A HIS 62.A N ILE 59.A O no hydrogen 3.365 N/A LEU 63.A N GLN 60.A O no hydrogen 3.159 N/A ARG 64.A N TYR 121.A OH no hydrogen 2.813 N/A ASN 67.A N HIS 65.A ND1 no hydrogen 2.912 N/A ASN 67.A ND2 LEU 145.A O no hydrogen 2.861 N/A ILE 68.A N HIS 65.A O no hydrogen 3.216 N/A LEU 69.A N ILE 147.A O no hydrogen 2.984 N/A ARG 70.A N GLU 86.A OE1 no hydrogen 2.895 N/A TYR 72.A N ILE 84.A O no hydrogen 2.721 N/A PHE 75.A N TYR 82.A O no hydrogen 3.132 N/A ASP 77.A N ARG 80.A O no hydrogen 3.039 N/A THR 79.A N ASP 77.A O no hydrogen 2.739 N/A THR 79.A OG1 ASP 77.A OD1 no hydrogen 3.491 N/A ARG 80.A N ASP 77.A OD1 no hydrogen 3.047 N/A ARG 80.A NE THR 79.A OG1 no hydrogen 2.956 N/A ARG 80.A NH2 ASP 77.A OD2 no hydrogen 3.372 N/A VAL 81.A N LEU 39.A O no hydrogen 2.775 N/A TYR 82.A N PHE 75.A O no hydrogen 2.871 N/A TYR 82.A OH ASP 77.A OD2 no hydrogen 3.096 N/A LEU 83.A N LYS 37.A O no hydrogen 2.828 N/A ILE 84.A N GLY 73.A O no hydrogen 2.948 N/A LEU 85.A N ALA 35.A O no hydrogen 2.755 N/A GLU 86.A N ARG 70.A O no hydrogen 2.910 N/A LEU 90.A N LEU 139.A O no hydrogen 3.022 N/A VAL 93.A N LEU 137.A O no hydrogen 2.842 N/A TYR 94.A N PRO 134.A O no hydrogen 3.313 N/A ARG 95.A N.A THR 92.A OG1 no hydrogen 3.021 N/A ARG 95.A N.B THR 92.A OG1 no hydrogen 3.003 N/A GLU 96.A N THR 92.A O no hydrogen 3.180 N/A LEU 97.A N VAL 93.A O no hydrogen 2.734 N/A GLN 98.A N TYR 94.A O no hydrogen 2.862 N/A LYS 99.A N ARG 95.A O.A no hydrogen 2.744 N/A LYS 99.A N ARG 95.A O.B no hydrogen 2.810 N/A LYS 99.A NZ GLU 96.A OE1 no hydrogen 3.542 N/A LYS 99.A NZ GLU 96.A OE2 no hydrogen 3.223 N/A LEU 100.A N GLU 96.A O no hydrogen 3.120 N/A SER 101.A N LEU 97.A O no hydrogen 2.839 N/A LYS 102.A N LEU 100.A O no hydrogen 2.682 N/A PHE 103.A N PHE 195.A O no hydrogen 2.757 N/A GLN 106.A NE2 ASN 259.A OD1 no hydrogen 2.987 N/A ARG 107.A N ASP 104.A OD1 no hydrogen 2.662 N/A ARG 107.A NH2 TYR 111.A OH no hydrogen 3.074 N/A THR 108.A N ASP 104.A O no hydrogen 3.016 N/A THR 108.A OG1 ASP 104.A O no hydrogen 2.966 N/A ALA 109.A N GLU 105.A O no hydrogen 2.896 N/A THR 110.A N GLN 106.A O no hydrogen 3.044 N/A THR 110.A OG1 GLN 106.A O no hydrogen 2.768 N/A THR 110.A OG1 SER 261.A OG no hydrogen 3.387 N/A TYR 111.A N ARG 107.A O no hydrogen 2.980 N/A ILE 112.A N THR 108.A O no hydrogen 2.941 N/A THR 113.A N ALA 109.A O no hydrogen 2.954 N/A THR 113.A OG1 ALA 109.A O no hydrogen 2.819 N/A THR 113.A OG1 SER 260.A OG no hydrogen 2.904 N/A GLU 114.A N THR 110.A O no hydrogen 2.915 N/A LEU 115.A N TYR 111.A O no hydrogen 2.821 N/A ALA 116.A N ILE 112.A O no hydrogen 2.630 N/A ASN 117.A N THR 113.A O no hydrogen 2.910 N/A ALA 118.A N GLU 114.A O no hydrogen 3.122 N/A LEU 119.A N LEU 115.A O no hydrogen 2.851 N/A SER 120.A N ALA 116.A O no hydrogen 2.820 N/A SER 120.A OG ASN 117.A O no hydrogen 3.472 N/A TYR 121.A N ASN 117.A O no hydrogen 3.093 N/A CYS 122.A N ALA 118.A O no hydrogen 2.914 N/A CYS 122.A SG ALA 118.A O no hydrogen 3.440 N/A HIS 123.A N LEU 119.A O no hydrogen 2.668 N/A HIS 123.A NE2 ASP 184.A OD2 no hydrogen 2.962 N/A SER 124.A N SER 120.A O no hydrogen 3.061 N/A SER 124.A N TYR 121.A O no hydrogen 3.201 N/A SER 124.A OG TYR 121.A O no hydrogen 2.961 N/A LYS 125.A N CYS 122.A O no hydrogen 3.059 N/A ARG 126.A N HIS 123.A O no hydrogen 2.837 N/A ARG 126.A NE ALA 156.A O no hydrogen 3.048 N/A VAL 127.A N CYS 122.A O no hydrogen 3.039 N/A ILE 128.A N VAL 154.A O no hydrogen 2.800 N/A HIS 129.A N ASP 184.A OD2 no hydrogen 2.856 N/A HIS 129.A NE2 ALA 148.A O no hydrogen 2.878 N/A ARG 130.A N ASP 184.A OD1 no hydrogen 2.935 N/A ARG 130.A NE TRP 152.A O no hydrogen 2.825 N/A ARG 130.A NH1 HIS 179.A NE2 no hydrogen 2.838 N/A ARG 130.A NH2 TRP 152.A O no hydrogen 2.879 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 3.033 N/A LYS 133.A NZ ASP 131.A OD1 no hydrogen 3.205 N/A ASN 136.A N LYS 133.A O no hydrogen 2.706 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.659 N/A ASN 136.A ND2 ASP 131.A OD2 no hydrogen 2.970 N/A LEU 137.A N PRO 134.A O no hydrogen 3.246 N/A LEU 138.A N LYS 146.A O no hydrogen 2.876 N/A LEU 139.A N GLY 91.A O no hydrogen 2.802 N/A GLY 140.A N GLU 144.A O no hydrogen 2.863 N/A GLY 143.A N GLY 140.A O no hydrogen 2.822 N/A GLU 144.A N GLU 144.A OE1 no hydrogen 2.621 N/A LEU 145.A N GLU 114.A OE1 no hydrogen 2.774 N/A LYS 146.A N LEU 138.A O no hydrogen 2.686 N/A LYS 146.A NZ PRO 66.A O no hydrogen 2.960 N/A LYS 146.A NZ GLU 86.A OE2 no hydrogen 2.959 N/A ILE 147.A N ASN 67.A O no hydrogen 2.830 N/A ALA 148.A N ASN 136.A O no hydrogen 2.847 N/A GLY 151.A N ASP 149.A OD1 no hydrogen 3.201 N/A SER 153.A N PHE 150.A O no hydrogen 2.891 N/A SER 153.A OG ILE 128.A O no hydrogen 3.280 N/A VAL 154.A N ILE 128.A O no hydrogen 3.091 N/A ALA 156.A N ARG 126.A O no hydrogen 2.963 N/A SER 158.A N HIS 179.A O no hydrogen 3.167 N/A SER 158.A OG SER 159.A O no hydrogen 3.311 N/A ARG 161.A N SER 159.A O no hydrogen 2.758 N/A ASP 167.A N THR 165.A OG1 no hydrogen 2.789 N/A TYR 168.A OH GLU 194.A OE1 no hydrogen 2.431 N/A TYR 168.A OH GLU 194.A OE2 no hydrogen 3.233 N/A LEU 169.A N LEU 166.A O no hydrogen 2.885 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.926 N/A MET 173.A N PRO 170.A O no hydrogen 3.005 N/A ILE 174.A N PRO 170.A O no hydrogen 3.199 N/A GLU 175.A N PRO 171.A O no hydrogen 2.943 N/A GLY 176.A N MET 173.A O no hydrogen 3.424 N/A ARG 177.A N GLU 172.A O no hydrogen 2.945 N/A ARG 177.A NH2 GLU 175.A OE1 no hydrogen 2.490 N/A HIS 179.A N SER 158.A O no hydrogen 2.998 N/A HIS 179.A ND1 ARG 177.A O no hydrogen 3.037 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.606 N/A LYS 182.A NZ ARG 244.A O no hydrogen 2.706 N/A LYS 182.A NZ PRO 245.A O no hydrogen 2.854 N/A VAL 183.A N ASP 180.A O no hydrogen 3.301 N/A ASP 184.A N GLU 181.A O no hydrogen 3.103 N/A TRP 186.A N LYS 182.A O no hydrogen 3.226 N/A SER 187.A N VAL 183.A O no hydrogen 3.094 N/A SER 187.A OG TYR 168.A O no hydrogen 2.924 N/A SER 187.A OG VAL 183.A O no hydrogen 3.304 N/A LEU 188.A N ASP 184.A O no hydrogen 3.016 N/A GLY 189.A N LEU 185.A O no hydrogen 3.211 N/A VAL 190.A N TRP 186.A O no hydrogen 2.944 N/A LEU 191.A N SER 187.A O no hydrogen 2.826 N/A CYS 192.A N LEU 188.A O no hydrogen 2.886 N/A TYR 193.A N GLY 189.A O no hydrogen 3.124 N/A TYR 193.A OH THR 220.A O no hydrogen 2.634 N/A GLU 194.A N VAL 190.A O no hydrogen 2.972 N/A PHE 195.A N LEU 191.A O no hydrogen 2.838 N/A VAL 197.A N TYR 193.A O no hydrogen 2.934 N/A GLY 198.A N GLU 194.A O no hydrogen 2.618 N/A LYS 199.A NZ GLU 203.A OE1.B no hydrogen 3.258 N/A GLU 203.A N.A PRO 200.A O no hydrogen 3.209 N/A GLU 203.A N.B PRO 200.A O no hydrogen 3.196 N/A GLN 208.A N GLN 208.A OE1 no hydrogen 2.918 N/A GLU 209.A N THR 206.A OG1 no hydrogen 3.281 N/A THR 210.A N THR 206.A O no hydrogen 3.001 N/A THR 210.A OG1 THR 206.A O no hydrogen 2.975 N/A TYR 211.A N TYR 207.A O no hydrogen 2.819 N/A LYS 212.A N GLN 208.A O no hydrogen 3.141 N/A ARG 213.A N GLU 209.A O no hydrogen 2.779 N/A ARG 213.A NH2 GLU 203.A O.A no hydrogen 2.769 N/A ARG 213.A NH2 GLU 203.A O.B no hydrogen 2.742 N/A ILE 214.A N THR 210.A O no hydrogen 2.883 N/A SER 215.A N TYR 211.A O no hydrogen 2.928 N/A SER 215.A OG GLU 175.A OE2 no hydrogen 3.079 N/A ARG 216.A N LYS 212.A O no hydrogen 2.958 N/A VAL 217.A N ILE 214.A O no hydrogen 2.984 N/A GLU 218.A N ARG 213.A O no hydrogen 2.928 N/A VAL 225.A N PRO 222.A O no hydrogen 3.292 N/A THR 226.A OG1 GLU 105.A OE2 no hydrogen 2.520 N/A ALA 229.A N THR 226.A O no hydrogen 3.218 N/A ARG 230.A N THR 226.A O no hydrogen 2.902 N/A ARG 230.A NE VAL 225.A O no hydrogen 2.607 N/A ARG 230.A NH2 VAL 225.A O no hydrogen 3.508 N/A ASP 231.A N GLU 227.A O no hydrogen 2.820 N/A LEU 232.A N GLY 228.A O no hydrogen 3.296 N/A ILE 233.A N ALA 229.A O no hydrogen 2.973 N/A SER 234.A N ARG 230.A O no hydrogen 2.985 N/A SER 234.A OG ARG 230.A O no hydrogen 2.829 N/A ARG 235.A N ASP 231.A O no hydrogen 3.298 N/A ARG 235.A N LEU 232.A O no hydrogen 3.186 N/A LEU 236.A N LEU 232.A O no hydrogen 3.183 N/A LEU 236.A N ILE 233.A O no hydrogen 3.215 N/A LEU 237.A N ILE 233.A O no hydrogen 2.957 N/A LYS 238.A NZ ARG 235.A O no hydrogen 2.547 N/A LYS 238.A NZ GLN 243.A O no hydrogen 2.953 N/A SER 242.A N ASN 240.A OD1 no hydrogen 3.176 N/A SER 242.A OG ASN 240.A OD1 no hydrogen 3.032 N/A GLN 243.A N ASN 240.A O no hydrogen 3.033 N/A ARG 244.A N PRO 241.A O no hydrogen 2.925 N/A ARG 244.A NE LYS 238.A O no hydrogen 2.868 N/A ARG 244.A NH1 GLU 172.A OE2 no hydrogen 2.886 N/A ARG 244.A NH1 LYS 182.A O no hydrogen 2.970 N/A ARG 244.A NH2 GLU 172.A OE1 no hydrogen 2.907 N/A ARG 244.A NH2 GLU 172.A OE2 no hydrogen 3.485 N/A ARG 244.A NH2 LYS 238.A O no hydrogen 3.079 N/A ARG 244.A NH2 HIS 239.A O no hydrogen 3.222 N/A MET 246.A N GLU 249.A OE2 no hydrogen 3.066 N/A VAL 250.A N MET 246.A O no hydrogen 3.418 N/A LEU 251.A N LEU 247.A O no hydrogen 2.880 N/A GLU 252.A N ARG 248.A O no hydrogen 2.906 N/A HIS 253.A N VAL 250.A O no hydrogen 3.156 N/A HIS 253.A NE2 ASP 231.A OD2 no hydrogen 2.770 N/A TRP 255.A N HIS 253.A ND1 no hydrogen 3.277 N/A TRP 255.A NE1 GLU 105.A OE2 no hydrogen 3.122 N/A THR 257.A N HIS 253.A O no hydrogen 2.813 N/A THR 257.A OG1 HIS 253.A O no hydrogen 3.160 N/A THR 257.A OG1 PRO 254.A O no hydrogen 2.929 N/A ALA 258.A N PRO 254.A O no hydrogen 2.678 N/A ASN 259.A N TRP 255.A O no hydrogen 3.250 N/A ASN 259.A N ILE 256.A O no hydrogen 3.261 N/A ASN 259.A ND2 TRP 255.A O no hydrogen 2.670 N/A SER 260.A N ILE 256.A O no hydrogen 2.799 N/A SER 260.A OG THR 113.A OG1 no hydrogen 2.904 N/A SER 261.A N THR 110.A OG1 no hydrogen 3.148 N/A SER 261.A OG THR 110.A OG1 no hydrogen 3.387 N/A