Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3d57_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 6.A N GLU 9.A OE1 no hydrogen 2.842 N/A THR 6.A OG1 GLU 8.A OE1 no hydrogen 3.110 N/A GLU 9.A N THR 6.A OG1 no hydrogen 3.149 N/A TRP 10.A N THR 6.A O no hydrogen 2.971 N/A GLU 11.A N GLU 8.A O no hydrogen 3.063 N/A LEU 12.A N GLU 8.A O no hydrogen 3.258 N/A ILE 13.A N GLU 9.A O no hydrogen 2.838 N/A LYS 14.A N TRP 10.A O no hydrogen 2.992 N/A LYS 14.A NZ GLU 18.A OE1 no hydrogen 3.069 N/A THR 15.A N GLU 11.A O no hydrogen 3.046 N/A THR 15.A OG1 GLU 11.A O no hydrogen 3.134 N/A VAL 16.A N LEU 12.A O no hydrogen 3.031 N/A THR 17.A N ILE 13.A O no hydrogen 3.074 N/A THR 17.A OG1 ILE 13.A O no hydrogen 2.861 N/A THR 17.A OG1 THR 153.A OG1 no hydrogen 2.716 N/A GLU 18.A N LYS 14.A O no hydrogen 3.158 N/A ALA 19.A N THR 15.A O no hydrogen 3.101 N/A HIS 20.A N VAL 16.A O no hydrogen 3.012 N/A VAL 21.A N THR 17.A O no hydrogen 2.940 N/A ALA 22.A N GLU 18.A O no hydrogen 2.874 N/A THR 23.A N HIS 20.A O no hydrogen 3.005 N/A THR 23.A OG1 ALA 19.A O no hydrogen 2.647 N/A THR 23.A OG1 HIS 20.A O no hydrogen 3.157 N/A ASN 24.A N VAL 21.A O no hydrogen 3.320 N/A GLN 32.A N HIS 29.A O no hydrogen 3.247 N/A LYS 33.A N TRP 30.A O no hydrogen 3.245 N/A ARG 34.A N TRP 30.A O no hydrogen 2.728 N/A ARG 34.A NH1 ASP 107.A OD2 no hydrogen 3.275 N/A ARG 34.A NH1 THR 114.A OG1 no hydrogen 3.325 N/A ARG 34.A NH2 ASP 107.A OD2 no hydrogen 2.769 N/A LYS 35.A N GLU 118.A O no hydrogen 2.687 N/A LEU 37.A N ALA 120.A O no hydrogen 2.922 N/A ILE 41.A N PRO 38.A O no hydrogen 2.672 N/A VAL 49.A N GLU 230.A OE1 no hydrogen 3.120 N/A ASP 50.A N ASN 128.A O no hydrogen 2.850 N/A ALA 53.A N ASP 50.A OD1 no hydrogen 2.584 N/A PHE 54.A N ASP 50.A O no hydrogen 2.886 N/A SER 55.A N LEU 51.A O no hydrogen 2.798 N/A HIS 56.A N GLU 52.A O no hydrogen 3.146 N/A HIS 56.A ND1 GLU 52.A O no hydrogen 3.197 N/A PHE 57.A N ALA 53.A O no hydrogen 3.157 N/A THR 58.A N PHE 54.A O no hydrogen 2.893 N/A THR 58.A OG1 PHE 54.A O no hydrogen 3.275 N/A THR 58.A OG1 SER 55.A O no hydrogen 3.389 N/A THR 58.A OG1 LEU 235.A O no hydrogen 3.013 N/A ILE 60.A N PHE 57.A O no hydrogen 3.216 N/A ILE 65.A N ILE 61.A O no hydrogen 3.041 N/A THR 66.A N THR 62.A O no hydrogen 2.871 N/A THR 66.A OG1 THR 62.A O no hydrogen 3.446 N/A ARG 67.A N PRO 63.A O no hydrogen 2.889 N/A ARG 67.A NE PRO 63.A O no hydrogen 3.202 N/A VAL 68.A N ALA 64.A O no hydrogen 3.224 N/A VAL 68.A N ILE 65.A O no hydrogen 3.134 N/A VAL 69.A N ILE 65.A O no hydrogen 3.194 N/A ASP 70.A N THR 66.A O no hydrogen 2.959 N/A PHE 71.A N ARG 67.A O no hydrogen 2.886 N/A ALA 72.A N VAL 68.A O no hydrogen 3.171 N/A LYS 73.A N VAL 69.A O no hydrogen 3.089 N/A LYS 74.A N PHE 71.A O no hydrogen 3.124 N/A LEU 75.A N ALA 72.A O no hydrogen 2.967 N/A CYS 79.A N LEU 75.A O no hydrogen 3.123 N/A CYS 79.A SG LYS 73.A O no hydrogen 3.242 N/A CYS 79.A SG LEU 75.A O no hydrogen 3.681 N/A GLU 80.A N MET 77.A O no hydrogen 3.183 N/A LEU 81.A N PHE 78.A O no hydrogen 3.195 N/A GLN 86.A N PRO 82.A O no hydrogen 3.000 N/A GLN 86.A NE2 PHE 78.A O no hydrogen 3.045 N/A ILE 87.A N CYS 83.A O no hydrogen 3.000 N/A ILE 88.A N GLU 84.A O no hydrogen 3.131 N/A LEU 89.A N ASP 85.A O no hydrogen 2.792 N/A LEU 90.A N GLN 86.A O no hydrogen 2.987 N/A LYS 91.A N ILE 87.A O no hydrogen 3.016 N/A LYS 91.A NZ GLU 242.A O no hydrogen 3.341 N/A LYS 91.A NZ GLU 242.A OE2 no hydrogen 2.528 N/A GLY 92.A N ILE 88.A O no hydrogen 3.029 N/A CYS 93.A N LEU 89.A O no hydrogen 3.053 N/A CYS 93.A SG LEU 89.A O no hydrogen 3.170 N/A CYS 94.A N LEU 90.A O no hydrogen 2.859 N/A ILE 97.A N CYS 93.A O no hydrogen 2.811 N/A MET 98.A N CYS 94.A O no hydrogen 3.024 N/A SER 99.A N MET 95.A O no hydrogen 2.860 N/A SER 99.A OG MET 95.A O no hydrogen 2.792 N/A LEU 100.A N GLU 96.A O no hydrogen 3.024 N/A ARG 101.A N ILE 97.A O no hydrogen 2.842 N/A ARG 101.A NE GLN 159.A OE1 no hydrogen 2.791 N/A ARG 101.A NH1 HIS 20.A ND1 no hydrogen 3.024 N/A ARG 101.A NH1 THR 23.A OG1 no hydrogen 3.009 N/A ARG 101.A NH2 THR 23.A O no hydrogen 2.822 N/A ALA 102.A N MET 98.A O no hydrogen 2.911 N/A ALA 103.A N SER 99.A O no hydrogen 2.883 N/A VAL 104.A N LEU 100.A O no hydrogen 3.152 N/A ARG 105.A N ALA 102.A O no hydrogen 3.106 N/A TYR 106.A N ALA 103.A O no hydrogen 3.319 N/A ASP 107.A N THR 112.A O no hydrogen 2.880 N/A GLU 109.A N ASP 107.A OD1 no hydrogen 3.129 N/A SER 110.A OG ASP 107.A OD2 no hydrogen 2.734 N/A SER 110.A OG THR 112.A OG1 no hydrogen 2.955 N/A THR 112.A N ASP 107.A O no hydrogen 3.316 N/A THR 112.A OG1 SER 110.A OG no hydrogen 2.955 N/A LEU 113.A N VAL 121.A O no hydrogen 3.064 N/A THR 114.A N ARG 105.A O no hydrogen 3.347 N/A LEU 115.A N MET 119.A O no hydrogen 2.787 N/A ASN 116.A ND2 ILE 60.A O no hydrogen 2.809 N/A GLY 117.A N THR 114.A O no hydrogen 3.253 N/A GLU 118.A N LEU 115.A O no hydrogen 3.010 N/A MET 119.A N LEU 115.A O no hydrogen 3.077 N/A ALA 120.A N LYS 35.A O no hydrogen 2.832 N/A VAL 121.A N LEU 113.A O no hydrogen 2.924 N/A THR 122.A N GLN 125.A OE1 no hydrogen 2.748 N/A ARG 123.A NE ASP 136.A OD1 no hydrogen 2.588 N/A ARG 123.A NH1 ASP 136.A OD1 no hydrogen 3.243 N/A GLN 125.A N THR 122.A OG1 no hydrogen 3.085 N/A GLN 125.A NE2 LEU 37.A O no hydrogen 2.621 N/A GLN 125.A NE2 PRO 38.A O no hydrogen 3.601 N/A GLN 125.A NE2 ILE 41.A O no hydrogen 3.349 N/A LEU 126.A N THR 122.A O no hydrogen 3.093 N/A LYS 127.A N ARG 123.A O no hydrogen 3.305 N/A LYS 127.A NZ ASP 136.A OD2 no hydrogen 2.851 N/A ASN 128.A N GLY 124.A O no hydrogen 3.060 N/A ASN 128.A ND2 GLY 42.A O no hydrogen 3.049 N/A GLY 130.A N LYS 127.A O no hydrogen 3.146 N/A LEU 131.A N LEU 126.A O no hydrogen 3.416 N/A GLY 132.A N LYS 127.A O no hydrogen 3.027 N/A VAL 134.A N LEU 131.A O no hydrogen 2.943 N/A SER 135.A N GLY 132.A O no hydrogen 3.266 N/A SER 135.A OG ARG 123.A O no hydrogen 2.930 N/A ALA 137.A N VAL 133.A O no hydrogen 3.100 N/A ILE 138.A N VAL 134.A O no hydrogen 2.827 N/A PHE 139.A N SER 135.A O no hydrogen 2.942 N/A ARG 140.A N ASP 136.A O no hydrogen 2.773 N/A LEU 141.A N ALA 137.A O no hydrogen 2.947 N/A GLY 142.A N ILE 138.A O no hydrogen 2.899 N/A MET 143.A N PHE 139.A O no hydrogen 2.886 N/A SER 144.A N ARG 140.A O no hydrogen 3.011 N/A SER 144.A OG LEU 141.A O no hydrogen 3.242 N/A LEU 145.A N LEU 141.A O no hydrogen 2.994 N/A SER 146.A N MET 143.A O no hydrogen 3.403 N/A PHE 148.A N LEU 145.A O no hydrogen 2.997 N/A ASN 149.A N SER 146.A O no hydrogen 3.462 N/A ASP 151.A N GLU 154.A OE1 no hydrogen 2.933 N/A THR 153.A OG1 THR 17.A OG1 no hydrogen 2.716 N/A GLU 154.A N ASP 151.A OD1 no hydrogen 2.931 N/A VAL 155.A N ASP 151.A O no hydrogen 3.137 N/A ALA 156.A N ASP 152.A O no hydrogen 2.783 N/A LEU 157.A N THR 153.A O no hydrogen 2.810 N/A LEU 158.A N GLU 154.A O no hydrogen 2.911 N/A GLN 159.A N VAL 155.A O no hydrogen 2.948 N/A GLN 159.A NE2 HIS 20.A ND1 no hydrogen 3.189 N/A ALA 160.A N ALA 156.A O no hydrogen 2.924 N/A VAL 161.A N LEU 157.A O no hydrogen 2.916 N/A LEU 162.A N LEU 158.A O no hydrogen 2.974 N/A LEU 163.A N GLN 159.A O no hydrogen 2.893 N/A MET 164.A N ALA 160.A O no hydrogen 3.022 N/A SER 165.A N LEU 163.A O no hydrogen 2.923 N/A SER 165.A OG LEU 162.A O no hydrogen 2.705 N/A ARG 168.A NH1 GLU 96.A OE2 no hydrogen 3.242 N/A ARG 168.A NH2 GLU 96.A OE1 no hydrogen 2.922 N/A ARG 168.A NH2 GLU 96.A OE2 no hydrogen 3.568 N/A ARG 168.A NH2 LEU 162.A O no hydrogen 3.049 N/A LEU 171.A N ARG 168.A O no hydrogen 3.462 N/A ALA 172.A N ASP 85.A OD1 no hydrogen 2.798 N/A CYS 173.A N ASP 85.A OD2 no hydrogen 3.027 N/A CYS 173.A SG ASP 85.A OD2 no hydrogen 3.553 N/A ILE 177.A N CYS 173.A O no hydrogen 3.200 N/A GLU 178.A N VAL 174.A O no hydrogen 2.974 N/A LYS 179.A N GLU 175.A O no hydrogen 2.854 N/A TYR 180.A N ARG 176.A O no hydrogen 2.814 N/A GLN 181.A N ILE 177.A O no hydrogen 2.800 N/A ASP 182.A N GLU 178.A O no hydrogen 3.030 N/A SER 183.A N LYS 179.A O no hydrogen 2.954 N/A PHE 184.A N TYR 180.A O no hydrogen 3.107 N/A LEU 185.A N GLN 181.A O no hydrogen 2.840 N/A LEU 186.A N ASP 182.A O no hydrogen 2.896 N/A ALA 187.A N SER 183.A O no hydrogen 3.203 N/A PHE 188.A N PHE 184.A O no hydrogen 2.856 N/A GLU 189.A N LEU 185.A O no hydrogen 2.811 N/A HIS 190.A N LEU 186.A O no hydrogen 3.117 N/A HIS 190.A ND1 GLU 9.A OE1 no hydrogen 2.721 N/A TYR 191.A N ALA 187.A O no hydrogen 2.852 N/A TYR 191.A OH ASP 151.A OD2 no hydrogen 2.721 N/A ILE 192.A N PHE 188.A O no hydrogen 2.825 N/A ASN 193.A N GLU 189.A O no hydrogen 3.151 N/A ASN 193.A ND2 PRO 3.A O no hydrogen 2.722 N/A TYR 194.A N HIS 190.A O no hydrogen 3.118 N/A TYR 194.A N TYR 191.A O no hydrogen 3.038 N/A ARG 195.A N TYR 191.A O no hydrogen 2.910 N/A ARG 195.A NE GLU 154.A OE1 no hydrogen 3.267 N/A ARG 195.A NE GLU 154.A OE2 no hydrogen 3.339 N/A ARG 195.A NH1 GLU 154.A OE1 no hydrogen 3.171 N/A LYS 196.A N ILE 192.A O no hydrogen 3.054 N/A HIS 197.A NE2 GLU 154.A OE2 no hydrogen 2.683 N/A LYS 205.A N HIS 201.A O no hydrogen 3.177 N/A LYS 205.A NZ THR 200.A O no hydrogen 2.527 N/A LEU 206.A N PHE 202.A O no hydrogen 3.020 N/A LEU 207.A N TRP 203.A O no hydrogen 3.052 N/A MET 208.A N PRO 204.A O no hydrogen 3.129 N/A LYS 209.A N LEU 206.A O no hydrogen 2.880 N/A VAL 210.A N LEU 207.A O no hydrogen 3.144 N/A ASP 212.A N MET 208.A O no hydrogen 3.186 N/A LEU 213.A N LYS 209.A O no hydrogen 2.878 N/A ARG 214.A N VAL 210.A O no hydrogen 2.989 N/A ARG 214.A NH2 SER 165.A OG no hydrogen 2.674 N/A MET 215.A N THR 211.A O no hydrogen 3.190 N/A ILE 216.A N ASP 212.A O no hydrogen 2.819 N/A GLY 217.A N LEU 213.A O no hydrogen 2.761 N/A ALA 218.A N ARG 214.A O no hydrogen 3.053 N/A CYS 219.A N MET 215.A O no hydrogen 2.992 N/A CYS 219.A SG MET 215.A O no hydrogen 3.074 N/A HIS 220.A N ILE 216.A O no hydrogen 2.951 N/A ALA 221.A N GLY 217.A O no hydrogen 3.374 N/A SER 222.A N ALA 218.A O no hydrogen 3.405 N/A SER 222.A OG CYS 219.A O no hydrogen 3.174 N/A ARG 223.A N CYS 219.A O no hydrogen 3.004 N/A ARG 223.A N HIS 220.A O no hydrogen 2.955 N/A ARG 223.A NH1 ARG 223.A O no hydrogen 3.226 N/A PHE 224.A N HIS 220.A O no hydrogen 2.755 N/A MET 227.A N ARG 223.A O no hydrogen 3.158 N/A LYS 228.A N PHE 224.A O no hydrogen 2.845 N/A VAL 229.A N HIS 226.A O no hydrogen 3.153 N/A GLU 230.A N HIS 226.A O no hydrogen 2.917 N/A GLU 230.A N MET 227.A O no hydrogen 3.174 N/A CYS 231.A N MET 227.A O no hydrogen 2.798 N/A GLU 234.A N GLU 234.A OE2 no hydrogen 2.778 N/A LEU 235.A N PRO 232.A O no hydrogen 2.879 N/A PHE 236.A N THR 233.A O no hydrogen 2.926 N/A PHE 240.A N PRO 237.A O no hydrogen 2.818 N/A LEU 241.A N PRO 237.A O no hydrogen 3.136 N/A LEU 241.A N PRO 238.A O no hydrogen 3.116 N/A GLU 242.A N PRO 238.A O no hydrogen 3.173 N/A VAL 243.A N LEU 239.A O no hydrogen 3.285 N/A GLU 245.A N GLU 242.A O no hydrogen 3.422 N/A