Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4otf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N VAL 68.A O no hydrogen 2.876 N/A LYS 5.A N ASP 3.A OD1 no hydrogen 3.065 N/A ASP 6.A N ASP 3.A O no hydrogen 2.777 N/A LEU 7.A N PRO 4.A O no hydrogen 3.046 N/A THR 8.A N LYS 25.A O no hydrogen 2.951 N/A LEU 10.A N TYR 23.A O no hydrogen 2.780 N/A LYS 11.A N TYR 23.A O no hydrogen 3.064 N/A LEU 13.A N VAL 21.A O no hydrogen 2.878 N/A GLY 16.A N GLY 19.A O no hydrogen 2.754 N/A GLN 17.A NE2 ASP 152.A OD2 no hydrogen 3.032 N/A GLY 19.A N GLY 16.A O no hydrogen 3.014 N/A VAL 21.A N GLY 14.A O no hydrogen 2.879 N/A LYS 22.A N ILE 34.A O no hydrogen 2.900 N/A LYS 22.A NZ GLU 12.A OE2 no hydrogen 2.852 N/A TYR 23.A N LYS 11.A O no hydrogen 2.761 N/A TYR 23.A OH ASP 31.A OD1 no hydrogen 2.738 N/A GLY 24.A N VAL 32.A O no hydrogen 2.946 N/A LYS 25.A N THR 8.A O no hydrogen 2.940 N/A LYS 25.A NZ GLN 29.A O no hydrogen 3.076 N/A LYS 25.A NZ ASP 31.A OD1 no hydrogen 2.742 N/A TRP 26.A N TYR 30.A O no hydrogen 2.797 N/A ARG 27.A N ASP 6.A O no hydrogen 2.726 N/A ARG 27.A NE ASP 6.A OD2 no hydrogen 2.967 N/A ARG 27.A NH2 ASP 6.A OD2 no hydrogen 3.360 N/A GLN 29.A N TRP 26.A O no hydrogen 3.240 N/A TYR 30.A N TRP 26.A O no hydrogen 3.200 N/A VAL 32.A N GLY 24.A O no hydrogen 2.996 N/A ALA 33.A N THR 79.A O no hydrogen 2.971 N/A ILE 34.A N LYS 22.A O no hydrogen 2.743 N/A LYS 35.A N ILE 77.A O no hydrogen 2.940 N/A LYS 35.A NZ ASP 143.A OD1 no hydrogen 2.913 N/A LYS 35.A NZ ASP 143.A OD2 no hydrogen 3.025 N/A MET 36.A N VAL 20.A O no hydrogen 2.969 N/A ILE 37.A N ILE 75.A O no hydrogen 3.011 N/A LYS 38.A N PHE 18.A O no hydrogen 2.811 N/A SER 41.A N LYS 38.A O no hydrogen 2.983 N/A SER 41.A OG LYS 38.A O no hydrogen 2.789 N/A SER 43.A N TYR 149.A O no hydrogen 2.825 N/A SER 43.A OG.A GLU 46.A OE1 no hydrogen 3.294 N/A GLU 46.A N ASP 45.A OD1 no hydrogen 2.769 N/A PHE 47.A N SER 43.A O no hydrogen 2.848 N/A ILE 48.A N GLU 44.A O no hydrogen 2.833 N/A GLU 49.A N ASP 45.A O no hydrogen 2.920 N/A GLU 50.A N GLU 46.A O no hydrogen 3.053 N/A GLU 50.A N PHE 47.A O no hydrogen 3.103 N/A MET 55.A N ALA 51.A O no hydrogen 3.266 N/A ASN 56.A N LYS 52.A O no hydrogen 3.077 N/A LEU 57.A N MET 54.A O no hydrogen 3.328 N/A SER 58.A N TYR 115.A OH no hydrogen 2.916 N/A HIS 59.A N GLN 64.A OE1 no hydrogen 3.081 N/A LYS 61.A N HIS 59.A ND1 no hydrogen 2.929 N/A LYS 61.A NZ ASP 108.A OD1 no hydrogen 2.690 N/A LYS 61.A NZ GLU 111.A OE1 no hydrogen 2.945 N/A LEU 62.A N HIS 59.A O no hydrogen 3.080 N/A VAL 63.A N VAL 141.A O no hydrogen 2.864 N/A GLN 64.A N GLU 80.A OE1 no hydrogen 3.110 N/A GLN 64.A NE2 SER 58.A OG no hydrogen 3.034 N/A TYR 66.A N ILE 78.A O no hydrogen 2.698 N/A GLY 67.A N ILE 78.A O no hydrogen 3.263 N/A CYS 69.A N PHE 76.A O no hydrogen 3.001 N/A CYS 69.A SG ILE 2.A O no hydrogen 3.320 N/A THR 70.A N GLU 1.A OE2 no hydrogen 2.621 N/A THR 70.A OG1 GLU 1.A OE1 no hydrogen 2.771 N/A THR 70.A OG1 GLU 1.A OE2 no hydrogen 3.248 N/A GLN 72.A NE2 PRO 74.A O no hydrogen 2.864 N/A ARG 73.A NE GLU 39.A OE2 no hydrogen 2.797 N/A ARG 73.A NH2 GLU 39.A OE2 no hydrogen 3.408 N/A PHE 76.A N CYS 69.A O no hydrogen 2.980 N/A ILE 77.A N LYS 35.A O no hydrogen 3.035 N/A ILE 78.A N GLY 67.A O no hydrogen 2.864 N/A THR 79.A N ALA 33.A O no hydrogen 2.958 N/A THR 79.A OG1 GLU 80.A O no hydrogen 3.088 N/A GLU 80.A N GLN 64.A O no hydrogen 2.891 N/A ASN 84.A N VAL 133.A O no hydrogen 2.852 N/A ASN 84.A ND2 ASN 134.A O no hydrogen 2.998 N/A GLY 85.A N MET 82.A O no hydrogen 3.153 N/A LEU 86.A N ALA 128.A O no hydrogen 3.417 N/A LEU 90.A N LEU 86.A O no hydrogen 2.827 N/A ARG 91.A N LEU 87.A O no hydrogen 3.164 N/A ARG 91.A NH1 GLY 198.A O no hydrogen 2.980 N/A GLU 92.A N ASN 88.A O no hydrogen 2.948 N/A MET 93.A N TYR 89.A O no hydrogen 3.168 N/A ARG 94.A NE LEU 197.A O no hydrogen 2.960 N/A ARG 94.A NH1 LEU 197.A O no hydrogen 2.799 N/A ARG 96.A N MET 93.A O no hydrogen 2.825 N/A GLN 98.A N GLN 101.A OE1 no hydrogen 2.803 N/A GLN 101.A N GLN 98.A O no hydrogen 2.991 N/A LEU 102.A N GLN 98.A O no hydrogen 3.332 N/A LEU 103.A N THR 99.A O no hydrogen 3.134 N/A GLU 104.A N GLN 100.A O no hydrogen 3.031 N/A MET 105.A N GLN 101.A O no hydrogen 3.040 N/A CYS 106.A N LEU 102.A O no hydrogen 3.220 N/A CYS 106.A SG LEU 102.A O no hydrogen 3.409 N/A LYS 107.A N LEU 103.A O no hydrogen 2.895 N/A LYS 107.A NZ GLU 111.A OE1 no hydrogen 3.435 N/A LYS 107.A NZ GLU 111.A OE2 no hydrogen 2.766 N/A ASP 108.A N GLU 104.A O no hydrogen 2.919 N/A VAL 109.A N MET 105.A O no hydrogen 3.177 N/A CYS 110.A N CYS 106.A O no hydrogen 2.882 N/A CYS 110.A SG PHE 248.A O no hydrogen 3.612 N/A GLU 111.A N LYS 107.A O no hydrogen 2.911 N/A ALA 112.A N ASP 108.A O no hydrogen 3.231 N/A MET 113.A N VAL 109.A O no hydrogen 2.933 N/A GLU 114.A N CYS 110.A O no hydrogen 2.763 N/A TYR 115.A N GLU 111.A O no hydrogen 3.101 N/A LEU 116.A N ALA 112.A O no hydrogen 2.970 N/A GLU 117.A N MET 113.A O no hydrogen 2.837 N/A SER 118.A N GLU 114.A O no hydrogen 2.994 N/A SER 118.A OG TYR 115.A O no hydrogen 2.580 N/A LYS 119.A N TYR 115.A O no hydrogen 3.117 N/A LYS 119.A N LEU 116.A O no hydrogen 2.946 N/A GLN 120.A N GLU 117.A O no hydrogen 3.045 N/A PHE 121.A N LEU 116.A O no hydrogen 2.947 N/A HIS 123.A N ASP 183.A OD2 no hydrogen 2.788 N/A HIS 123.A NE2 SER 142.A O no hydrogen 2.853 N/A ARG 124.A N ASP 183.A OD1 no hydrogen 3.048 N/A ASP 125.A N HIS 123.A ND1 no hydrogen 3.097 N/A ALA 128.A N GLU 193.A OE2 no hydrogen 2.852 N/A ARG 129.A NH1 ASP 125.A OD1 no hydrogen 2.960 N/A ASN 130.A N ALA 127.A O no hydrogen 2.817 N/A ASN 130.A ND2 ASP 125.A O no hydrogen 2.750 N/A CYS 131.A N ALA 128.A O no hydrogen 3.095 N/A CYS 131.A SG ALA 127.A O no hydrogen 3.765 N/A LEU 132.A N LYS 140.A O no hydrogen 2.806 N/A VAL 133.A N GLY 85.A O no hydrogen 2.856 N/A ASN 134.A N VAL 138.A O no hydrogen 3.001 N/A GLN 136.A N ASN 134.A OD1 no hydrogen 2.957 N/A GLY 137.A N ASN 134.A O no hydrogen 3.008 N/A VAL 138.A N ASN 134.A OD1 no hydrogen 2.998 N/A VAL 139.A N ASP 108.A OD2 no hydrogen 3.075 N/A LYS 140.A N LEU 132.A O no hydrogen 2.817 N/A LYS 140.A NZ GLU 60.A O no hydrogen 2.878 N/A LYS 140.A NZ GLU 60.A OE1 no hydrogen 3.556 N/A LYS 140.A NZ GLU 80.A OE2 no hydrogen 2.691 N/A VAL 141.A N LYS 61.A O no hydrogen 2.940 N/A SER 142.A N ASN 130.A O no hydrogen 2.980 N/A GLY 145.A N HIS 123.A O no hydrogen 2.938 N/A LEU 146.A N ASP 143.A O no hydrogen 3.301 N/A ARG 148.A NE GLU 46.A OE2 no hydrogen 3.501 N/A TYR 149.A N LEU 146.A O no hydrogen 2.854 N/A TYR 149.A OH GLU 50.A OE1 no hydrogen 2.597 N/A VAL 150.A N SER 147.A O no hydrogen 3.217 N/A LEU 151.A N SER 41.A O no hydrogen 2.943 N/A GLU 154.A N ASP 152.A OD1 no hydrogen 3.028 N/A TYR 155.A N ASP 152.A O no hydrogen 2.943 N/A TYR 155.A OH ASP 125.A OD2 no hydrogen 2.660 N/A THR 156.A N ASP 152.A O no hydrogen 3.010 N/A THR 156.A OG1 ASP 152.A O no hydrogen 3.384 N/A SER 157.A N ASP 153.A O no hydrogen 3.157 N/A VAL 159.A N SER 157.A OG no hydrogen 3.287 N/A GLY 160.A N SER 157.A O no hydrogen 2.787 N/A SER 161.A N GLU 154.A OE1 no hydrogen 2.767 N/A LYS 162.A N GLU 154.A O no hydrogen 2.795 N/A LYS 162.A NZ ASP 152.A OD2 no hydrogen 2.788 N/A PHE 163.A N GLY 160.A O no hydrogen 3.474 N/A VAL 165.A N PHE 163.A O no hydrogen 2.764 N/A ARG 166.A NE ASN 207.A OD1 no hydrogen 3.244 N/A ARG 166.A NH1 PHE 205.A O no hydrogen 2.729 N/A ARG 166.A NH2 PRO 201.A O no hydrogen 3.057 N/A ARG 166.A NH2 TYR 202.A O no hydrogen 2.957 N/A ARG 166.A NH2 PHE 205.A O no hydrogen 3.141 N/A TRP 167.A N PRO 164.A O no hydrogen 3.028 N/A TRP 167.A NE1 GLU 193.A OE2 no hydrogen 2.844 N/A SER 168.A N VAL 165.A O no hydrogen 3.069 N/A SER 168.A OG PRO 164.A O no hydrogen 2.819 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.848 N/A VAL 172.A N PRO 169.A O no hydrogen 3.155 N/A LEU 173.A N PRO 169.A O no hydrogen 3.218 N/A MET 174.A N PRO 170.A O no hydrogen 2.869 N/A TYR 175.A N GLU 171.A O no hydrogen 3.028 N/A SER 176.A N VAL 172.A O no hydrogen 2.990 N/A LYS 177.A N GLU 171.A O no hydrogen 3.171 N/A SER 179.A N SER 182.A OG no hydrogen 2.841 N/A LYS 181.A N SER 179.A OG no hydrogen 3.070 N/A LYS 181.A NZ ARG 245.A O no hydrogen 3.081 N/A LYS 181.A NZ PRO 246.A O no hydrogen 3.212 N/A SER 182.A N SER 179.A O no hydrogen 3.006 N/A SER 182.A OG SER 179.A O no hydrogen 2.756 N/A ASP 183.A N SER 179.A O no hydrogen 3.347 N/A ILE 184.A N SER 180.A O no hydrogen 3.015 N/A TRP 185.A N LYS 181.A O no hydrogen 3.253 N/A ALA 186.A N SER 182.A O no hydrogen 3.083 N/A PHE 187.A N ASP 183.A O no hydrogen 2.850 N/A GLY 188.A N ILE 184.A O no hydrogen 3.109 N/A VAL 189.A N TRP 185.A O no hydrogen 3.218 N/A LEU 190.A N ALA 186.A O no hydrogen 2.855 N/A MET 191.A N PHE 187.A O no hydrogen 2.833 N/A TRP 192.A N GLY 188.A O no hydrogen 3.083 N/A TRP 192.A NE1 TYR 221.A O no hydrogen 2.924 N/A GLU 193.A N VAL 189.A O no hydrogen 2.816 N/A ILE 194.A N LEU 190.A O no hydrogen 2.878 N/A TYR 195.A N MET 191.A O no hydrogen 2.915 N/A SER 196.A N TRP 192.A O no hydrogen 2.900 N/A SER 196.A OG TRP 192.A O no hydrogen 2.958 N/A SER 196.A OG GLU 193.A O no hydrogen 3.259 N/A LEU 197.A N ILE 194.A O no hydrogen 2.971 N/A GLY 198.A N GLU 193.A O no hydrogen 2.778 N/A LYS 199.A N SER 196.A OG no hydrogen 3.173 N/A PHE 205.A N TYR 202.A O no hydrogen 2.924 N/A THR 206.A N GLU 209.A OE1 no hydrogen 2.959 N/A THR 206.A OG1 SER 208.A OG no hydrogen 3.293 N/A SER 208.A OG THR 206.A OG1 no hydrogen 3.293 N/A GLU 209.A N THR 206.A OG1 no hydrogen 3.186 N/A THR 210.A N THR 206.A O no hydrogen 2.929 N/A THR 210.A OG1 THR 206.A O no hydrogen 2.937 N/A ALA 211.A N ASN 207.A O no hydrogen 2.921 N/A GLU 212.A N SER 208.A O no hydrogen 2.903 N/A HIS 213.A N GLU 209.A O no hydrogen 2.907 N/A HIS 213.A ND1 GLU 209.A O no hydrogen 2.711 N/A ILE 214.A N THR 210.A O no hydrogen 2.886 N/A ALA 215.A N ALA 211.A O no hydrogen 3.001 N/A GLN 216.A N GLU 212.A O no hydrogen 3.217 N/A GLN 216.A N HIS 213.A O no hydrogen 3.240 N/A GLY 217.A N ILE 214.A O no hydrogen 2.884 N/A LEU 218.A N HIS 213.A O no hydrogen 2.847 N/A ARG 219.A NE TRP 238.A O no hydrogen 2.913 N/A ARG 219.A NH1 ILE 214.A O no hydrogen 2.902 N/A ARG 219.A NH1 LEU 218.A O no hydrogen 3.021 N/A ARG 219.A NH2 TRP 238.A O no hydrogen 3.024 N/A ARG 222.A NH1 ALA 226.A O no hydrogen 3.131 N/A ALA 226.A N PRO 223.A O no hydrogen 2.978 N/A LYS 229.A NZ GLU 261.A OE1 no hydrogen 3.019 N/A VAL 230.A N SER 227.A OG no hydrogen 3.185 N/A TYR 231.A N SER 227.A O no hydrogen 2.926 N/A TYR 231.A OH LEU 220.A O no hydrogen 2.578 N/A THR 232.A N GLU 228.A O no hydrogen 2.881 N/A THR 232.A OG1 GLU 228.A O no hydrogen 2.891 N/A ILE 233.A N LYS 229.A O no hydrogen 3.201 N/A MET 234.A N VAL 230.A O no hydrogen 3.089 N/A TYR 235.A N TYR 231.A O no hydrogen 2.788 N/A SER 236.A N THR 232.A O no hydrogen 3.063 N/A SER 236.A OG ILE 233.A O no hydrogen 2.777 N/A CYS 237.A N MET 234.A O no hydrogen 3.111 N/A CYS 237.A SG ILE 233.A O no hydrogen 3.724 N/A TRP 238.A N TYR 235.A O no hydrogen 2.924 N/A LYS 241.A NZ GLU 240.A OE2 no hydrogen 3.168 N/A GLU 244.A N LYS 241.A O no hydrogen 3.126 N/A ARG 245.A N ALA 242.A O no hydrogen 3.106 N/A ARG 245.A NE HIS 239.A O no hydrogen 2.797 N/A ARG 245.A NH1 GLU 171.A OE1 no hydrogen 2.805 N/A ARG 245.A NH1 HIS 239.A O no hydrogen 3.153 N/A ARG 245.A NH1 GLU 240.A O no hydrogen 3.114 N/A ARG 245.A NH2 GLU 171.A OE2 no hydrogen 2.800 N/A ARG 245.A NH2 LYS 181.A O no hydrogen 2.852 N/A PHE 248.A N GLU 117.A OE2 no hydrogen 2.972 N/A LYS 249.A N GLU 117.A OE1 no hydrogen 3.350 N/A ILE 250.A N THR 247.A OG1 no hydrogen 3.180 N/A LEU 251.A N THR 247.A O no hydrogen 2.969 N/A LEU 252.A N PHE 248.A O no hydrogen 2.893 N/A SER 253.A N LYS 249.A O no hydrogen 3.168 N/A ASN 254.A N ILE 250.A O no hydrogen 2.882 N/A ILE 255.A N LEU 251.A O no hydrogen 2.910 N/A LEU 256.A N LEU 252.A O no hydrogen 2.902 N/A ASP 257.A N SER 253.A O no hydrogen 2.965 N/A VAL 258.A N ASN 254.A O no hydrogen 3.169 N/A MET 259.A N ILE 255.A O no hydrogen 3.037 N/A ASP 260.A N LEU 256.A O no hydrogen 2.904 N/A GLU 261.A N ASP 257.A O no hydrogen 3.071 N/A ASN 262.A N VAL 258.A O no hydrogen 2.924 N/A