Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xap_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N ALA 1.A O no hydrogen 3.042 N/A LEU 6.A N GLU 2.A O no hydrogen 3.133 N/A THR 7.A N LEU 3.A O no hydrogen 2.984 N/A THR 7.A OG1 LEU 3.A O no hydrogen 2.657 N/A GLU 8.A N ASP 4.A O no hydrogen 3.158 N/A LYS 9.A N ASP 5.A O no hydrogen 3.184 N/A LYS 9.A NZ ASP 5.A OD1 no hydrogen 3.539 N/A ILE 10.A N LEU 6.A O no hydrogen 2.995 N/A ARG 11.A N THR 7.A O no hydrogen 3.039 N/A ARG 11.A NH1 GLN 15.A OE1 no hydrogen 2.613 N/A LYS 12.A N GLU 8.A O no hydrogen 3.083 N/A ALA 13.A N LYS 9.A O no hydrogen 3.007 N/A HIS 14.A N ILE 10.A O no hydrogen 3.029 N/A GLN 15.A N ARG 11.A O no hydrogen 2.830 N/A GLN 15.A NE2 ASP 142.A OD2 no hydrogen 2.973 N/A GLU 16.A N LYS 12.A O no hydrogen 2.903 N/A THR 17.A N HIS 14.A O no hydrogen 3.054 N/A THR 17.A OG1 ALA 13.A O no hydrogen 2.872 N/A THR 17.A OG1 HIS 14.A O no hydrogen 3.488 N/A SER 20.A N GLN 23.A OE1 no hydrogen 2.743 N/A CYS 22.A SG SER 20.A OG no hydrogen 2.971 N/A GLN 23.A N SER 20.A O no hydrogen 3.181 N/A LYS 26.A NZ THR 97.A OG1 no hydrogen 3.337 N/A TYR 27.A N GLY 108.A O no hydrogen 2.856 N/A TYR 27.A OH ASP 107.A OD2 no hydrogen 2.752 N/A THR 29.A OG1 SER 31.A OG no hydrogen 3.005 N/A SER 31.A N THR 29.A OG1 no hydrogen 3.427 N/A SER 31.A OG THR 29.A OG1 no hydrogen 3.005 N/A SER 32.A OG ASP 40.A OD1 no hydrogen 2.905 N/A ARG 36.A NH2 ASP 126.A OD2 no hydrogen 3.028 N/A VAL 37.A N ASN 118.A OD1 no hydrogen 2.876 N/A ARG 38.A NE GLU 217.A OE2 no hydrogen 3.146 N/A ARG 38.A NH2 GLU 217.A OE2 no hydrogen 3.169 N/A ASP 40.A N ASN 118.A O no hydrogen 2.814 N/A LEU 43.A N ASP 40.A OD2 no hydrogen 3.165 N/A TRP 44.A N ASP 40.A O no hydrogen 2.875 N/A ASP 45.A N LEU 41.A O no hydrogen 2.887 N/A LYS 46.A N GLY 42.A O no hydrogen 3.286 N/A LYS 46.A NZ TYR 27.A OH no hydrogen 3.143 N/A LYS 46.A NZ ASP 107.A OD2 no hydrogen 2.732 N/A PHE 47.A N LEU 43.A O no hydrogen 2.810 N/A SER 48.A N TRP 44.A O no hydrogen 2.804 N/A SER 48.A OG TRP 44.A O no hydrogen 2.735 N/A SER 48.A OG ASP 45.A O no hydrogen 3.243 N/A GLU 49.A N ASP 45.A O no hydrogen 3.156 N/A LEU 50.A N LYS 46.A O no hydrogen 3.001 N/A ALA 51.A N PHE 47.A O no hydrogen 2.878 N/A THR 52.A N SER 48.A O no hydrogen 3.076 N/A THR 52.A OG1 SER 48.A O no hydrogen 3.277 N/A LYS 53.A N GLU 49.A O no hydrogen 3.282 N/A CYS 54.A N LEU 50.A O no hydrogen 2.951 N/A ILE 55.A N ALA 51.A O no hydrogen 2.916 N/A ILE 56.A N THR 52.A O no hydrogen 3.190 N/A LYS 57.A N LYS 53.A O no hydrogen 3.068 N/A ILE 58.A N CYS 54.A O no hydrogen 2.818 N/A VAL 59.A N ILE 55.A O no hydrogen 3.008 N/A GLU 60.A N ILE 56.A O no hydrogen 3.082 N/A PHE 61.A N LYS 57.A O no hydrogen 2.883 N/A ALA 62.A N ILE 58.A O no hydrogen 2.911 N/A LYS 63.A N VAL 59.A O no hydrogen 2.953 N/A LYS 63.A NZ GLN 76.A OE1 no hydrogen 2.657 N/A ARG 64.A N GLU 60.A O no hydrogen 3.132 N/A ARG 64.A N PHE 61.A O no hydrogen 3.068 N/A ARG 64.A NE GLU 16.A OE2 no hydrogen 2.766 N/A ARG 64.A NH2 GLU 16.A OE2 no hydrogen 3.236 N/A LEU 65.A N ALA 62.A O no hydrogen 3.022 N/A PHE 68.A N LEU 65.A O no hydrogen 3.040 N/A LEU 71.A N PHE 68.A O no hydrogen 3.155 N/A THR 72.A OG1 GLU 162.A OE2 no hydrogen 3.153 N/A ASP 75.A N THR 72.A OG1 no hydrogen 3.195 N/A GLN 76.A N THR 72.A O no hydrogen 2.807 N/A GLN 76.A NE2 LEU 71.A O no hydrogen 3.004 N/A ILE 77.A N ILE 73.A O no hydrogen 2.798 N/A THR 78.A N ALA 74.A O no hydrogen 3.001 N/A THR 78.A OG1 ALA 74.A O no hydrogen 3.115 N/A LEU 79.A N ASP 75.A O no hydrogen 2.968 N/A LEU 80.A N GLN 76.A O no hydrogen 3.062 N/A LYS 81.A N ILE 77.A O no hydrogen 3.044 N/A LYS 81.A NZ GLU 228.A O no hydrogen 3.092 N/A LYS 81.A NZ GLU 228.A OE1 no hydrogen 2.997 N/A LYS 81.A NZ GLU 231.A O no hydrogen 3.129 N/A ALA 82.A N THR 78.A O no hydrogen 3.116 N/A ALA 83.A N LEU 79.A O no hydrogen 3.112 N/A CYS 84.A N LEU 80.A O no hydrogen 2.799 N/A ILE 87.A N ALA 83.A O no hydrogen 3.085 N/A LEU 88.A N CYS 84.A O no hydrogen 2.814 N/A ILE 89.A N LEU 85.A O no hydrogen 2.795 N/A LEU 90.A N ASP 86.A O no hydrogen 2.954 N/A ARG 91.A N ILE 87.A O no hydrogen 2.918 N/A ARG 91.A NH1 THR 17.A O no hydrogen 3.168 N/A ARG 91.A NH2 THR 17.A OG1 no hydrogen 3.078 N/A ILE 92.A N LEU 88.A O no hydrogen 3.156 N/A CYS 93.A N ILE 89.A O no hydrogen 3.101 N/A CYS 93.A SG ILE 89.A O no hydrogen 3.284 N/A CYS 93.A SG VAL 128.A O no hydrogen 3.634 N/A THR 94.A N LEU 90.A O no hydrogen 3.040 N/A THR 94.A N ARG 91.A O no hydrogen 3.065 N/A THR 94.A OG1 ARG 91.A O no hydrogen 2.512 N/A ARG 95.A N ILE 92.A O no hydrogen 3.078 N/A ARG 95.A NE PRO 19.A O no hydrogen 2.818 N/A ARG 95.A NH1 THR 104.A O no hydrogen 3.008 N/A ARG 95.A NH2 PRO 19.A O no hydrogen 2.832 N/A ARG 95.A NH2 SER 106.A OG no hydrogen 3.276 N/A THR 97.A N THR 102.A O no hydrogen 2.924 N/A ASP 101.A N PRO 98.A O no hydrogen 3.131 N/A THR 102.A N THR 97.A O no hydrogen 3.264 N/A MET 103.A N LEU 111.A O no hydrogen 3.031 N/A THR 104.A N ARG 95.A O no hydrogen 3.081 N/A THR 104.A OG1 THR 110.A OG1 no hydrogen 2.955 N/A PHE 105.A N LEU 109.A O no hydrogen 2.752 N/A GLY 108.A N PHE 105.A O no hydrogen 2.933 N/A LEU 109.A N ASP 107.A OD1 no hydrogen 2.939 N/A THR 110.A N TYR 27.A O no hydrogen 2.864 N/A THR 110.A OG1 THR 104.A OG1 no hydrogen 2.955 N/A THR 110.A OG1 GLY 108.A O no hydrogen 2.984 N/A LEU 111.A N MET 103.A O no hydrogen 3.097 N/A ASN 112.A N GLN 115.A OE1 no hydrogen 3.133 N/A ASN 112.A ND2 ALA 33.A O no hydrogen 2.982 N/A ARG 113.A NE ASP 101.A OD2 no hydrogen 3.083 N/A ARG 113.A NH1 ASP 126.A OD2 no hydrogen 3.230 N/A ARG 113.A NH2 ASP 101.A OD1 no hydrogen 2.948 N/A GLN 115.A N ASN 112.A OD1 no hydrogen 2.730 N/A GLN 115.A NE2 THR 29.A O no hydrogen 2.742 N/A GLN 115.A NE2 SER 31.A O no hydrogen 3.110 N/A MET 116.A N ASN 112.A O no hydrogen 2.940 N/A HIS 117.A N ARG 113.A O no hydrogen 2.925 N/A HIS 117.A ND1 ASN 118.A OD1 no hydrogen 2.787 N/A ASN 118.A N THR 114.A O no hydrogen 2.854 N/A ASN 118.A ND2 SER 32.A O no hydrogen 3.024 N/A ASN 118.A ND2 SER 32.A OG no hydrogen 3.108 N/A ASN 118.A ND2 HIS 35.A O no hydrogen 2.966 N/A ALA 119.A N GLN 115.A O no hydrogen 2.753 N/A GLY 120.A N HIS 117.A O no hydrogen 3.348 N/A PHE 121.A N MET 116.A O no hydrogen 3.226 N/A GLY 122.A N HIS 117.A O no hydrogen 3.025 N/A LEU 124.A N PHE 121.A O no hydrogen 2.887 N/A THR 125.A N GLY 122.A O no hydrogen 2.955 N/A THR 125.A OG1 GLY 122.A O no hydrogen 2.529 N/A VAL 128.A N LEU 124.A O no hydrogen 3.032 N/A PHE 129.A N THR 125.A O no hydrogen 2.995 N/A THR 130.A N ASP 126.A O no hydrogen 2.864 N/A THR 130.A OG1 ASP 126.A O no hydrogen 3.113 N/A THR 130.A OG1 LEU 127.A O no hydrogen 2.525 N/A PHE 131.A N LEU 127.A O no hydrogen 3.163 N/A ALA 132.A N VAL 128.A O no hydrogen 2.986 N/A ASN 133.A N PHE 129.A O no hydrogen 2.798 N/A GLN 134.A N THR 130.A O no hydrogen 2.997 N/A LEU 135.A N ALA 132.A O no hydrogen 2.990 N/A LEU 136.A N ALA 132.A O no hydrogen 3.374 N/A LEU 138.A N LEU 135.A O no hydrogen 3.036 N/A GLU 139.A N LEU 136.A O no hydrogen 2.861 N/A GLU 144.A N ASP 141.A OD1 no hydrogen 3.162 N/A THR 145.A N ASP 141.A O no hydrogen 3.009 N/A THR 145.A OG1 ASP 141.A O no hydrogen 3.138 N/A GLY 146.A N ASP 142.A O no hydrogen 2.860 N/A LEU 147.A N THR 143.A O no hydrogen 2.839 N/A LEU 148.A N GLU 144.A O no hydrogen 2.913 N/A SER 149.A N THR 145.A O no hydrogen 2.950 N/A SER 149.A OG THR 145.A O no hydrogen 2.898 N/A ALA 150.A N GLY 146.A O no hydrogen 2.978 N/A ILE 151.A N LEU 147.A O no hydrogen 2.874 N/A CYS 152.A N LEU 148.A O no hydrogen 2.976 N/A CYS 152.A SG LEU 148.A O no hydrogen 3.543 N/A LEU 153.A N SER 149.A O no hydrogen 3.000 N/A ILE 154.A N ALA 150.A O no hydrogen 2.817 N/A CYS 155.A SG ASP 157.A OD2 no hydrogen 2.922 N/A ARG 158.A N CYS 155.A O no hydrogen 3.492 N/A ARG 158.A NH2 CYS 152.A O no hydrogen 2.940 N/A GLU 162.A N ASP 75.A OD2 no hydrogen 2.691 N/A GLU 163.A N ASP 75.A OD1 no hydrogen 3.015 N/A VAL 167.A N GLU 163.A O no hydrogen 3.249 N/A ASP 168.A N PRO 164.A O no hydrogen 3.017 N/A LYS 169.A N THR 165.A O no hydrogen 3.330 N/A LEU 170.A N VAL 167.A O no hydrogen 2.896 N/A GLN 171.A N VAL 167.A O no hydrogen 3.110 N/A GLN 171.A N ASP 168.A O no hydrogen 3.173 N/A GLU 172.A N ASP 168.A O no hydrogen 3.010 N/A LEU 174.A N GLN 171.A O no hydrogen 2.858 N/A ALA 177.A N PRO 173.A O no hydrogen 2.921 N/A LEU 178.A N LEU 174.A O no hydrogen 2.929 N/A LYS 179.A N LEU 175.A O no hydrogen 2.840 N/A ILE 180.A N GLU 176.A O no hydrogen 2.815 N/A TYR 181.A N ALA 177.A O no hydrogen 2.958 N/A TYR 181.A OH ASP 141.A OD1 no hydrogen 3.207 N/A TYR 181.A OH ASP 141.A OD2 no hydrogen 2.615 N/A ILE 182.A N LEU 178.A O no hydrogen 2.976 N/A ARG 183.A N LYS 179.A O no hydrogen 3.377 N/A LYS 184.A N ILE 180.A O no hydrogen 3.013 N/A LYS 184.A N TYR 181.A O no hydrogen 2.982 N/A ARG 185.A N TYR 181.A O no hydrogen 2.904 N/A ARG 185.A NH1 GLU 139.A O no hydrogen 2.845 N/A ARG 185.A NH1 GLU 144.A OE1 no hydrogen 3.407 N/A ARG 185.A NH2 GLU 139.A O no hydrogen 2.950 N/A ARG 186.A N ILE 182.A O no hydrogen 3.337 N/A ARG 186.A NH1 ARG 186.A O no hydrogen 2.970 N/A HIS 188.A N HIS 188.A ND1 no hydrogen 3.065 N/A LYS 192.A N HIS 188.A O no hydrogen 3.433 N/A ILE 193.A N MET 189.A O no hydrogen 2.990 N/A LEU 194.A N PHE 190.A O no hydrogen 3.134 N/A MET 195.A N PRO 191.A O no hydrogen 2.779 N/A LYS 196.A N ILE 193.A O no hydrogen 3.229 N/A LYS 196.A NZ GLN 134.A O no hydrogen 3.435 N/A ILE 197.A N LEU 194.A O no hydrogen 3.125 N/A THR 198.A N MET 195.A O no hydrogen 3.009 N/A ASP 199.A N MET 195.A O no hydrogen 3.486 N/A LEU 200.A N LYS 196.A O no hydrogen 2.832 N/A ARG 201.A N ILE 197.A O no hydrogen 2.865 N/A SER 202.A N THR 198.A O no hydrogen 2.927 N/A ILE 203.A N ASP 199.A O no hydrogen 3.099 N/A SER 204.A N LEU 200.A O no hydrogen 2.910 N/A SER 204.A OG ASP 86.A OD2 no hydrogen 2.504 N/A SER 204.A OG LEU 200.A O no hydrogen 3.494 N/A SER 204.A OG ARG 201.A O no hydrogen 3.025 N/A ALA 205.A N ARG 201.A O no hydrogen 2.915 N/A LYS 206.A N ILE 203.A O no hydrogen 2.953 N/A GLY 207.A N SER 204.A O no hydrogen 2.943 N/A ARG 210.A N LYS 206.A O no hydrogen 3.374 N/A ARG 210.A NE GLY 120.A O no hydrogen 2.822 N/A ARG 210.A NH2 GLY 120.A O no hydrogen 3.158 N/A VAL 211.A N GLY 207.A O no hydrogen 2.884 N/A THR 213.A N GLU 209.A O no hydrogen 2.927 N/A THR 213.A OG1 GLU 209.A O no hydrogen 2.930 N/A LEU 214.A N ARG 210.A O no hydrogen 2.862 N/A LYS 215.A N VAL 211.A O no hydrogen 2.835 N/A MET 216.A N ILE 212.A O no hydrogen 3.104 N/A GLU 217.A N THR 213.A O no hydrogen 3.123 N/A GLU 217.A N LEU 214.A O no hydrogen 2.837 N/A ILE 218.A N LEU 214.A O no hydrogen 2.889 N/A GLN 227.A N PRO 223.A O no hydrogen 2.837 N/A GLN 227.A NE2 GLU 231.A OE2 no hydrogen 3.232 N/A GLU 228.A N PRO 224.A O no hydrogen 2.818 N/A MET 229.A N LEU 225.A O no hydrogen 2.908 N/A LEU 230.A N ILE 226.A O no hydrogen 3.068 N/A GLU 231.A N GLU 228.A O no hydrogen 3.342 N/A