Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4akr_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 GLN 4.A OE1 no hydrogen 3.189 N/A LEU 5.A N THR 1.A O no hydrogen 2.981 N/A SER 6.A N GLU 2.A O no hydrogen 2.833 N/A CYS 7.A N LYS 3.A O no hydrogen 2.978 N/A CYS 7.A SG LYS 3.A O no hydrogen 3.362 N/A CYS 8.A N GLN 4.A O no hydrogen 2.854 N/A CYS 8.A SG GLN 4.A O no hydrogen 3.179 N/A LEU 9.A N LEU 5.A O no hydrogen 3.084 N/A ASP 10.A N SER 6.A O no hydrogen 3.143 N/A LEU 11.A N CYS 7.A O no hydrogen 2.776 N/A MET 12.A N CYS 8.A O no hydrogen 2.889 N/A ARG 13.A N LEU 9.A O no hydrogen 3.222 N/A ARG 13.A N ASP 10.A O no hydrogen 3.015 N/A ARG 14.A N LEU 11.A O no hydrogen 3.007 N/A ARG 14.A NH1 ASP 10.A OD1 no hydrogen 3.563 N/A ARG 14.A NH1 ASP 10.A OD2 no hydrogen 3.056 N/A LEU 15.A N LEU 11.A O no hydrogen 2.954 N/A GLN 19.A N PRO 16.A O no hydrogen 2.994 N/A ILE 20.A N PRO 17.A O no hydrogen 3.022 N/A ASN 23.A N GLN 19.A O no hydrogen 2.887 N/A LEU 24.A N ILE 20.A O no hydrogen 2.833 N/A ALA 25.A N GLU 21.A O no hydrogen 3.351 N/A GLY 26.A N ASP 22.A O no hydrogen 3.015 N/A LEU 27.A N ASN 23.A O no hydrogen 3.081 N/A LEU 28.A N LEU 24.A O no hydrogen 3.015 N/A ASP 29.A N ALA 25.A O no hydrogen 3.016 N/A LEU 30.A N GLY 26.A O no hydrogen 2.971 N/A VAL 31.A N LEU 27.A O no hydrogen 2.666 N/A LEU 34.A N VAL 31.A O no hydrogen 2.907 N/A THR 35.A N PRO 32.A O no hydrogen 3.105 N/A THR 35.A OG1 PRO 32.A O no hydrogen 2.773 N/A LEU 38.A N LEU 34.A O no hydrogen 2.763 N/A LEU 39.A N THR 35.A O no hydrogen 3.004 N/A SER 40.A N GLU 36.A O no hydrogen 3.101 N/A SER 40.A N ASP 37.A O no hydrogen 3.078 N/A SER 40.A OG GLU 36.A O no hydrogen 2.858 N/A SER 41.A N ASP 37.A O no hydrogen 2.840 N/A SER 41.A OG ASP 37.A O no hydrogen 3.055 N/A ILE 42.A N LEU 38.A O no hydrogen 3.064 N/A LEU 46.A N ASP 145.A OD2 no hydrogen 2.724 N/A LYS 47.A NZ GLU 21.A OE2 no hydrogen 3.403 N/A ALA 49.A N TYR 58.A O no hydrogen 2.874 N/A ASP 51.A N LYS 56.A O no hydrogen 2.801 N/A VAL 53.A N ASP 51.A OD1 no hydrogen 2.924 N/A SER 54.A N ASP 51.A OD1 no hydrogen 3.160 N/A SER 54.A OG ASP 51.A OD2 no hydrogen 2.810 N/A LYS 55.A NZ ALA 52.A O no hydrogen 2.741 N/A LYS 56.A N ASP 51.A O no hydrogen 3.175 N/A LYS 56.A NZ GLU 104.A OE1 no hydrogen 3.283 N/A LYS 56.A NZ GLU 104.A OE2 no hydrogen 2.880 N/A TYR 58.A N ALA 49.A O no hydrogen 2.882 N/A LEU 59.A N SER 117.A OG no hydrogen 2.923 N/A LEU 60.A N LYS 47.A O no hydrogen 2.963 N/A CYS 61.A N ASN 64.A OD1 no hydrogen 2.973 N/A CYS 61.A SG ASN 64.A OD1 no hydrogen 3.424 N/A ASN 64.A ND2 LEU 59.A O no hydrogen 3.140 N/A ASN 64.A ND2 ARG 71.A O no hydrogen 2.983 N/A ARG 65.A NE ALA 67.A O no hydrogen 2.792 N/A ARG 65.A NH2 ALA 67.A O no hydrogen 3.506 N/A ARG 65.A NH2 ASP 68.A OD1 no hydrogen 3.036 N/A ASP 66.A N SER 69.A O no hydrogen 3.008 N/A SER 69.A N ASP 66.A O no hydrogen 2.808 N/A SER 69.A OG PRO 80.A O no hydrogen 2.632 N/A TYR 70.A N ASP 79.A O no hydrogen 3.149 N/A ARG 71.A N ASN 64.A O no hydrogen 2.667 N/A ARG 71.A NH1 ASN 76.A OD1 no hydrogen 2.802 N/A ARG 71.A NH1 GLU 96.A OE1 no hydrogen 2.831 N/A ARG 71.A NH1 GLU 96.A OE2 no hydrogen 3.501 N/A ARG 71.A NH2 GLU 96.A OE2 no hydrogen 2.756 N/A SER 72.A N LYS 77.A O no hydrogen 3.017 N/A SER 72.A OG ASP 51.A OD2 no hydrogen 2.597 N/A TRP 74.A N SER 72.A OG no hydrogen 3.222 N/A TRP 74.A NE1 ASP 57.A O no hydrogen 2.973 N/A SER 75.A N SER 72.A OG no hydrogen 3.395 N/A SER 75.A OG ASP 51.A OD2 no hydrogen 3.087 N/A ASN 76.A N SER 72.A O no hydrogen 2.761 N/A LYS 77.A N SER 75.A OG no hydrogen 3.384 N/A TYR 78.A OH CYS 86.A O no hydrogen 2.668 N/A ASP 79.A N TYR 70.A O no hydrogen 3.084 N/A CYS 86.A N ASP 66.A OD2 no hydrogen 3.187 N/A SER 89.A N ASP 122.A OD1 no hydrogen 2.651 N/A SER 89.A OG ASP 122.A OD2 no hydrogen 2.592 N/A LEU 92.A N SER 89.A OG no hydrogen 3.210 N/A ARG 93.A N SER 89.A O no hydrogen 2.808 N/A ARG 93.A NH1 PRO 73.A O no hydrogen 2.977 N/A ARG 93.A NH1 GLU 96.A OE1 no hydrogen 2.770 N/A ARG 93.A NH2 PRO 73.A O no hydrogen 3.305 N/A ARG 93.A NH2 TRP 74.A O no hydrogen 3.380 N/A ASP 94.A N SER 90.A O no hydrogen 3.386 N/A ASP 94.A N LYS 91.A O no hydrogen 3.246 N/A GLU 96.A N LEU 92.A O no hydrogen 2.982 N/A VAL 97.A N ARG 93.A O no hydrogen 2.977 N/A GLN 98.A N ASP 94.A O no hydrogen 3.270 N/A ALA 99.A N ILE 95.A O no hydrogen 2.810 N/A ASN 100.A N GLU 96.A O no hydrogen 2.908 N/A ASN 100.A ND2 GLU 96.A O no hydrogen 2.935 N/A ASN 100.A ND2 VAL 118.A O no hydrogen 2.841 N/A GLU 101.A N VAL 97.A O no hydrogen 3.042 N/A ILE 102.A N GLN 98.A O no hydrogen 3.050 N/A PHE 103.A N ALA 99.A O no hydrogen 3.029 N/A GLU 104.A N ASN 100.A O no hydrogen 3.239 N/A ILE 105.A N ILE 102.A O no hydrogen 2.873 N/A TYR 106.A N ILE 102.A O no hydrogen 2.830 N/A TYR 106.A OH GLU 216.A OE1 no hydrogen 2.536 N/A LEU 107.A N PHE 103.A O no hydrogen 2.833 N/A ASN 108.A N GLU 104.A O no hydrogen 3.102 N/A LEU 109.A N ILE 105.A O no hydrogen 2.955 N/A TYR 110.A N TYR 106.A O no hydrogen 2.932 N/A TYR 110.A OH GLU 213.A OE2 no hydrogen 2.683 N/A PHE 111.A N LEU 107.A O no hydrogen 2.750 N/A GLU 112.A N LEU 107.A O no hydrogen 3.223 N/A GLU 112.A N ASN 108.A O no hydrogen 3.142 N/A VAL 115.A N LYS 134.A O no hydrogen 2.880 N/A SER 117.A N LEU 132.A O no hydrogen 3.164 N/A SER 117.A OG SER 116.A O no hydrogen 2.561 N/A VAL 118.A N ASN 100.A OD1 no hydrogen 2.854 N/A TYR 119.A N VAL 130.A O no hydrogen 3.202 N/A TYR 119.A OH LEU 59.A O no hydrogen 2.536 N/A CYS 120.A N GLU 96.A OE2 no hydrogen 2.712 N/A TRP 121.A N ALA 128.A O no hydrogen 3.043 N/A LEU 123.A N ASN 126.A O no hydrogen 2.791 N/A ASN 126.A N LEU 123.A O no hydrogen 2.768 N/A PHE 127.A N VAL 152.A O no hydrogen 3.418 N/A ALA 128.A N TRP 121.A O no hydrogen 3.213 N/A ALA 129.A N VAL 150.A O no hydrogen 2.797 N/A VAL 130.A N TYR 119.A O no hydrogen 2.964 N/A VAL 131.A N HIS 148.A O no hydrogen 2.912 N/A LEU 132.A N SER 117.A O no hydrogen 2.757 N/A MET 133.A N SER 146.A O no hydrogen 3.197 N/A LYS 134.A N VAL 115.A O no hydrogen 3.031 N/A LYS 134.A NZ LEU 46.A O no hydrogen 2.817 N/A LYS 134.A NZ ASP 145.A OD1 no hydrogen 3.090 N/A LYS 134.A NZ ASP 145.A OD2 no hydrogen 2.917 N/A LYS 135.A N TRP 144.A O no hydrogen 2.993 N/A LYS 135.A NZ PHE 111.A O no hydrogen 2.680 N/A GLN 137.A N GLY 142.A O no hydrogen 2.993 N/A ARG 141.A N GLU 173.A O no hydrogen 3.094 N/A GLY 142.A N GLN 137.A O no hydrogen 3.050 N/A THR 143.A N SER 171.A O no hydrogen 2.865 N/A TRP 144.A N LYS 135.A O no hydrogen 2.805 N/A TRP 144.A NE1 SER 146.A OG no hydrogen 2.400 N/A ASP 145.A N MET 169.A O no hydrogen 2.964 N/A SER 146.A N MET 133.A O no hydrogen 2.916 N/A SER 146.A OG GLU 216.A OE2 no hydrogen 2.644 N/A ILE 147.A N THR 167.A O no hydrogen 3.034 N/A HIS 148.A N VAL 131.A O no hydrogen 3.001 N/A VAL 149.A N THR 165.A O no hydrogen 3.079 N/A VAL 150.A N ALA 129.A O no hydrogen 2.658 N/A GLU 151.A N LYS 163.A O no hydrogen 2.790 N/A VAL 152.A N PHE 127.A O no hydrogen 2.908 N/A LYS 153.A N VAL 161.A O no hydrogen 3.339 N/A LYS 157.A N GLY 155.A O no hydrogen 2.564 N/A ALA 160.A N TYR 196.A O no hydrogen 2.691 N/A VAL 161.A N LYS 153.A O no hydrogen 3.499 N/A TYR 162.A N LYS 194.A O no hydrogen 2.536 N/A TYR 162.A OH HIS 204.A ND1 no hydrogen 2.519 N/A LYS 163.A N GLU 151.A O no hydrogen 2.892 N/A LEU 164.A N ASP 192.A O no hydrogen 2.816 N/A THR 165.A N VAL 149.A O no hydrogen 3.114 N/A THR 165.A OG1 GLN 191.A OE1 no hydrogen 3.058 N/A SER 166.A N ARG 190.A O no hydrogen 2.881 N/A THR 167.A N ILE 147.A O no hydrogen 3.031 N/A THR 167.A OG1 THR 189.A OG1 no hydrogen 2.986 N/A VAL 168.A N LEU 188.A O no hydrogen 3.023 N/A MET 169.A N ASP 145.A O no hydrogen 2.786 N/A LEU 170.A N GLY 186.A O no hydrogen 2.983 N/A SER 171.A N THR 143.A O no hydrogen 3.135 N/A ILE 172.A N LEU 184.A O no hydrogen 2.842 N/A GLU 173.A N ARG 141.A O no hydrogen 2.901 N/A THR 174.A N VAL 182.A O no hydrogen 3.055 N/A THR 174.A OG1 PRO 139.A O no hydrogen 2.744 N/A ASN 176.A N GLY 180.A O no hydrogen 3.286 N/A ASN 178.A N ASN 176.A OD1 no hydrogen 2.789 N/A THR 179.A N ASN 176.A OD1 no hydrogen 2.681 N/A THR 179.A OG1 ASN 176.A OD1 no hydrogen 3.074 N/A THR 179.A OG1 GLY 180.A O no hydrogen 3.231 N/A GLY 180.A N ASN 176.A O no hydrogen 2.755 N/A VAL 182.A N THR 174.A O no hydrogen 2.841 N/A LEU 184.A N ILE 172.A O no hydrogen 2.894 N/A LEU 188.A N VAL 168.A O no hydrogen 3.104 N/A THR 189.A OG1 THR 167.A OG1 no hydrogen 2.986 N/A ARG 190.A N SER 166.A O no hydrogen 2.926 N/A ASP 192.A N LEU 164.A O no hydrogen 2.880 N/A LYS 194.A N TYR 162.A O no hydrogen 2.841 N/A TYR 196.A N ALA 160.A O no hydrogen 2.713 N/A PHE 198.A N ASP 158.A O no hydrogen 2.883 N/A ASN 199.A N ASP 202.A O no hydrogen 2.942 N/A HIS 204.A ND1 TYR 162.A OH no hydrogen 2.519 N/A CYS 205.A SG ILE 95.A O no hydrogen 3.682 N/A VAL 206.A N THR 203.A OG1 no hydrogen 3.308 N/A ASN 207.A N THR 203.A O no hydrogen 2.980 N/A ASN 207.A ND2 TYR 162.A OH no hydrogen 2.784 N/A ASN 207.A ND2 ASP 202.A O no hydrogen 3.454 N/A ILE 208.A N HIS 204.A O no hydrogen 2.726 N/A GLY 209.A N CYS 205.A O no hydrogen 2.952 N/A LYS 210.A N VAL 206.A O no hydrogen 3.080 N/A MET 211.A N ASN 207.A O no hydrogen 3.307 N/A VAL 212.A N ILE 208.A O no hydrogen 2.803 N/A GLU 213.A N GLY 209.A O no hydrogen 2.877 N/A ASP 214.A N LYS 210.A O no hydrogen 3.132 N/A MET 215.A N MET 211.A O no hydrogen 3.023 N/A GLU 216.A N VAL 212.A O no hydrogen 2.855 N/A SER 217.A N GLU 213.A O no hydrogen 2.954 N/A SER 217.A OG GLU 213.A O no hydrogen 3.013 N/A LYS 218.A N ASP 214.A O no hydrogen 3.075 N/A LEU 219.A N MET 215.A O no hydrogen 2.943 N/A ARG 220.A N GLU 216.A O no hydrogen 3.051 N/A THR 222.A N LYS 218.A O no hydrogen 3.178 N/A THR 222.A OG1 LYS 218.A O no hydrogen 3.191 N/A LEU 223.A N LEU 219.A O no hydrogen 2.744 N/A GLU 224.A N ARG 220.A O no hydrogen 2.983 N/A THR 225.A N GLN 221.A O no hydrogen 3.010 N/A THR 225.A OG1 GLN 221.A O no hydrogen 3.189 N/A ILE 226.A N THR 222.A O no hydrogen 3.014 N/A TYR 227.A N LEU 223.A O no hydrogen 2.833 N/A TYR 227.A OH LEU 170.A O no hydrogen 2.647 N/A PHE 228.A N GLU 224.A O no hydrogen 3.245 N/A LYS 230.A N THR 225.A O no hydrogen 2.974 N/A LYS 230.A NZ GLU 233.A OE2 no hydrogen 3.078 N/A THR 231.A N ILE 226.A O no hydrogen 3.231 N/A THR 231.A OG1 TYR 227.A O no hydrogen 2.696 N/A GLU 233.A N GLY 229.A O no hydrogen 2.932 N/A VAL 234.A N LYS 230.A O no hydrogen 2.970 N/A VAL 235.A N THR 231.A O no hydrogen 2.982 N/A ASN 236.A N LYS 232.A O no hydrogen 2.968 N/A THR 237.A N VAL 234.A O no hydrogen 2.972 N/A THR 237.A OG1 VAL 234.A O no hydrogen 2.995 N/A LEU 238.A N VAL 234.A O no hydrogen 3.168 N/A LEU 238.A N VAL 235.A O no hydrogen 2.883 N/A ARG 239.A N VAL 235.A O no hydrogen 3.007 N/A THR 242.A OG1 ASN 240.A OD1 no hydrogen 3.146 N/A GLY 243.A N ASN 240.A O no hydrogen 2.686 N/A SER 245.A N GLY 243.A O no hydrogen 2.483 N/A