Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4joa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N ASP 1.A OD1 no hydrogen 2.815 N/A VAL 5.A N VAL 56.A O no hydrogen 2.857 N/A ARG 7.A NE SER 57.A OG no hydrogen 3.279 N/A ARG 7.A NH2 SER 57.A OG no hydrogen 3.204 N/A ARG 7.A NH2 PRO 62.A O no hydrogen 2.879 N/A ASN 9.A N PRO 6.A O no hydrogen 3.041 N/A ILE 10.A N ARG 7.A O no hydrogen 3.004 N/A THR 11.A N GLN 22.A O no hydrogen 3.161 N/A ILE 13.A N GLU 20.A O no hydrogen 2.825 N/A ARG 14.A N GLU 20.A O no hydrogen 3.335 N/A LEU 16.A N VAL 18.A O no hydrogen 2.866 N/A GLY 17.A N VAL 18.A O no hydrogen 3.217 N/A TYR 19.A N VAL 29.A O no hydrogen 2.750 N/A GLU 20.A N ARG 14.A O no hydrogen 2.558 N/A GLY 21.A N VAL 27.A O no hydrogen 2.661 N/A GLN 22.A N THR 11.A O no hydrogen 3.090 N/A GLN 22.A NE2 GLN 26.A OE1.A no hydrogen 2.743 N/A VAL 23.A N LEU 25.A O no hydrogen 3.227 N/A SER 24.A N ASN 9.A O no hydrogen 3.147 N/A GLN 26.A NE2.A GLU 20.A OE1 no hydrogen 2.730 N/A GLN 26.A NE2.A GLU 20.A OE2 no hydrogen 2.900 N/A VAL 27.A N GLY 21.A O no hydrogen 2.816 N/A ALA 28.A N LEU 67.A O no hydrogen 2.841 N/A VAL 29.A N TYR 19.A O no hydrogen 2.761 N/A LYS 30.A N ILE 65.A O no hydrogen 3.130 N/A LEU 32.A N ARG 63.A O no hydrogen 3.094 N/A ILE 41.A N MET 37.A O no hydrogen 3.311 N/A ILE 42.A N GLU 38.A O no hydrogen 3.005 N/A SER 43.A N ALA 39.A O no hydrogen 2.743 N/A PHE 45.A N ILE 42.A O no hydrogen 3.169 N/A ASN 46.A N TYR 104.A OH no hydrogen 2.657 N/A GLN 48.A N GLN 48.A OE1 no hydrogen 2.728 N/A ASN 49.A N HIS 47.A ND1 no hydrogen 3.127 N/A ASN 49.A ND2 ALA 131.A O no hydrogen 3.112 N/A ILE 50.A N HIS 47.A O no hydrogen 3.249 N/A VAL 51.A N ILE 133.A O no hydrogen 3.467 N/A ARG 52.A N GLU 68.A OE1 no hydrogen 3.019 N/A ARG 52.A NH1 ASN 46.A OD1 no hydrogen 3.190 N/A CYS 53.A SG GLY 55.A O no hydrogen 3.819 N/A CYS 53.A SG LEU 66.A O no hydrogen 3.669 N/A ILE 54.A N LEU 66.A O no hydrogen 2.762 N/A GLY 55.A N LEU 66.A O no hydrogen 3.259 N/A VAL 56.A N LYS 3.A O no hydrogen 3.177 N/A SER 57.A N PHE 64.A O no hydrogen 3.131 N/A LEU 58.A N GLU 4.A OE1 no hydrogen 3.001 N/A GLN 59.A N GLU 4.A OE2 no hydrogen 3.135 N/A PHE 64.A N SER 57.A O no hydrogen 3.211 N/A ILE 65.A N LYS 30.A O no hydrogen 2.981 N/A LEU 66.A N GLY 55.A O no hydrogen 2.674 N/A LEU 67.A N ALA 28.A O no hydrogen 2.824 N/A GLU 68.A N ARG 52.A O no hydrogen 2.869 N/A GLY 72.A N LEU 122.A O no hydrogen 2.793 N/A GLY 72.A N THR 123.A O no hydrogen 3.278 N/A GLY 73.A N MET 70.A O no hydrogen 3.069 N/A LEU 75.A N CYS 120.A O no hydrogen 2.751 N/A LYS 76.A N ALA 117.A O no hydrogen 3.294 N/A LYS 76.A NZ GLY 179.A O no hydrogen 3.115 N/A SER 77.A N ASP 74.A OD1 no hydrogen 3.278 N/A SER 77.A OG.A ASP 74.A OD1 no hydrogen 3.011 N/A SER 77.A OG.A ASP 74.A OD2 no hydrogen 2.666 N/A PHE 78.A N ASP 74.A O no hydrogen 3.277 N/A LEU 79.A N LEU 75.A O no hydrogen 3.090 N/A ARG 80.A N LYS 76.A O no hydrogen 3.270 N/A GLU 81.A N SER 77.A O no hydrogen 2.896 N/A THR 82.A N PHE 78.A O no hydrogen 2.735 N/A THR 82.A OG1 PHE 78.A O no hydrogen 2.701 N/A ARG 83.A N ARG 80.A O no hydrogen 3.394 N/A ARG 83.A NE LEU 178.A O no hydrogen 3.244 N/A ARG 83.A NH1 LEU 178.A O no hydrogen 2.785 N/A ALA 87.A N ASP 90.A OD2 no hydrogen 2.680 N/A ASP 90.A N ALA 87.A O no hydrogen 3.247 N/A LEU 92.A N MET 88.A O no hydrogen 3.047 N/A HIS 93.A N LEU 89.A O no hydrogen 2.938 N/A VAL 94.A N ASP 90.A O no hydrogen 3.151 N/A ALA 95.A N LEU 91.A O no hydrogen 2.898 N/A ARG 96.A N LEU 92.A O no hydrogen 2.805 N/A ASP 97.A N HIS 93.A O no hydrogen 2.722 N/A ILE 98.A N VAL 94.A O no hydrogen 3.134 N/A ALA 99.A N ALA 95.A O no hydrogen 2.925 N/A CYS 100.A N ARG 96.A O no hydrogen 2.849 N/A CYS 100.A SG.A ARG 96.A O no hydrogen 3.244 N/A GLY 101.A N ASP 97.A O no hydrogen 3.282 N/A CYS 102.A N ILE 98.A O no hydrogen 2.810 N/A CYS 102.A SG ILE 98.A O no hydrogen 3.203 N/A GLN 103.A N ALA 99.A O no hydrogen 2.787 N/A TYR 104.A N CYS 100.A O no hydrogen 2.881 N/A LEU 105.A N GLY 101.A O no hydrogen 2.980 N/A GLU 106.A N CYS 102.A O no hydrogen 2.791 N/A GLU 107.A N GLN 103.A O no hydrogen 2.759 N/A ASN 108.A N TYR 104.A O no hydrogen 3.135 N/A ASN 108.A ND2 TYR 104.A O no hydrogen 2.726 N/A HIS 109.A N GLU 106.A O no hydrogen 3.112 N/A PHE 110.A N LEU 105.A O no hydrogen 2.931 N/A HIS 112.A N ASP 164.A OD2 no hydrogen 2.829 N/A HIS 112.A NE2 ASP 135.A O no hydrogen 2.655 N/A ARG 113.A N ASP 164.A OD1 no hydrogen 2.841 N/A ASP 114.A N HIS 112.A ND1 no hydrogen 3.195 N/A ALA 117.A N GLU 174.A OE1 no hydrogen 2.829 N/A ARG 118.A NH1 ASP 114.A OD2 no hydrogen 3.547 N/A ASN 119.A N ALA 116.A O no hydrogen 3.063 N/A ASN 119.A ND2 ASP 114.A O no hydrogen 2.761 N/A CYS 120.A N ALA 117.A O no hydrogen 3.296 N/A CYS 120.A SG ALA 116.A O no hydrogen 3.265 N/A LEU 121.A N LYS 132.A O no hydrogen 2.859 N/A LEU 122.A N GLY 73.A O no hydrogen 2.892 N/A THR 123.A N VAL 130.A O no hydrogen 3.129 N/A CYS 124.A SG GLY 126.A O no hydrogen 3.297 N/A CYS 124.A SG PRO 127.A O no hydrogen 3.956 N/A ARG 129.A NH1 PRO 125.A O no hydrogen 3.121 N/A VAL 130.A N THR 123.A OG1 no hydrogen 2.973 N/A ALA 131.A N ASP 97.A OD2 no hydrogen 3.080 N/A LYS 132.A N LEU 121.A O no hydrogen 2.918 N/A LYS 132.A NZ GLN 48.A O no hydrogen 3.047 N/A LYS 132.A NZ GLU 68.A OE1 no hydrogen 3.462 N/A LYS 132.A NZ GLU 68.A OE2 no hydrogen 2.615 N/A ILE 133.A N ASN 49.A O no hydrogen 3.001 N/A GLY 134.A N ASN 119.A O no hydrogen 2.839 N/A ASP 135.A N ASN 119.A O no hydrogen 3.325 N/A PHE 136.A N GLU 38.A OE2 no hydrogen 3.051 N/A GLY 137.A N ASP 135.A OD2 no hydrogen 2.850 N/A ARG 140.A N PHE 136.A O no hydrogen 3.188 N/A ARG 140.A NH1 ASP 141.A OD2 no hydrogen 2.929 N/A ASP 141.A N GLY 137.A O no hydrogen 2.844 N/A ILE 142.A N MET 138.A O no hydrogen 3.476 N/A TYR 143.A N ALA 139.A O no hydrogen 3.238 N/A CYS 144.A N CYS 144.A O no hydrogen 2.721 N/A ALA 145.A N CYS 144.A O no hydrogen 2.249 N/A LEU 147.A N CYS 144.A O no hydrogen 3.023 N/A VAL 149.A N LEU 147.A O no hydrogen 2.902 N/A LYS 150.A NZ PRO 182.A O no hydrogen 3.482 N/A LYS 150.A NZ LYS 186.A O no hydrogen 3.532 N/A TRP 151.A N PRO 148.A O no hydrogen 3.298 N/A TRP 151.A NE1 GLU 174.A OE1 no hydrogen 3.078 N/A MET 152.A N VAL 149.A O no hydrogen 3.173 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.730 N/A ALA 156.A N PRO 153.A O no hydrogen 2.904 N/A ILE 158.A N GLU 155.A O no hydrogen 2.461 N/A THR 160.A N THR 163.A OG1 no hydrogen 2.829 N/A LYS 162.A NZ PRO 223.A O no hydrogen 2.945 N/A LYS 162.A NZ ARG 226.A O no hydrogen 2.608 N/A THR 163.A N THR 160.A O no hydrogen 3.330 N/A THR 163.A OG1 THR 160.A O no hydrogen 3.414 N/A THR 165.A N SER 161.A O no hydrogen 3.281 N/A THR 165.A OG1 SER 161.A O no hydrogen 3.513 N/A THR 165.A OG1 PRO 227.A O no hydrogen 3.058 N/A TRP 166.A N LYS 162.A O no hydrogen 3.223 N/A SER 167.A N THR 163.A O no hydrogen 3.171 N/A SER 167.A OG.A THR 163.A O no hydrogen 3.036 N/A SER 167.A OG.A ASP 164.A O no hydrogen 3.341 N/A PHE 168.A N ASP 164.A O no hydrogen 2.848 N/A GLY 169.A N THR 165.A O no hydrogen 3.100 N/A VAL 170.A N TRP 166.A O no hydrogen 3.124 N/A LEU 171.A N SER 167.A O no hydrogen 2.731 N/A LEU 172.A N PHE 168.A O no hydrogen 2.644 N/A TRP 173.A N GLY 169.A O no hydrogen 3.086 N/A TRP 173.A NE1 ASP 202.A O no hydrogen 3.054 N/A GLU 174.A N VAL 170.A O no hydrogen 2.972 N/A ILE 175.A N LEU 171.A O no hydrogen 2.917 N/A PHE 176.A N LEU 172.A O no hydrogen 3.073 N/A SER 177.A N TRP 173.A O no hydrogen 2.730 N/A SER 177.A OG TRP 173.A O no hydrogen 3.112 N/A SER 177.A OG GLU 174.A O no hydrogen 2.967 N/A LEU 178.A N ILE 175.A O no hydrogen 3.035 N/A GLY 179.A N GLU 174.A O no hydrogen 2.815 N/A TYR 180.A N SER 177.A OG no hydrogen 3.060 N/A LYS 186.A N TYR 183.A O no hydrogen 2.715 N/A SER 187.A N GLU 190.A OE1 no hydrogen 3.467 N/A ASN 188.A ND2 ALA 145.A O no hydrogen 3.549 N/A GLN 189.A NE2 GLU 193.A OE1 no hydrogen 2.734 N/A VAL 191.A N SER 187.A O no hydrogen 2.810 N/A LEU 192.A N ASN 188.A O no hydrogen 2.890 N/A GLU 193.A N GLN 189.A O no hydrogen 3.242 N/A PHE 194.A N GLU 190.A O no hydrogen 2.776 N/A VAL 195.A N VAL 191.A O no hydrogen 2.774 N/A THR 196.A N LEU 192.A O no hydrogen 3.097 N/A THR 196.A OG1 LEU 192.A O no hydrogen 2.495 N/A SER 197.A N GLU 193.A O no hydrogen 3.052 N/A SER 197.A OG.A GLU 193.A O no hydrogen 2.781 N/A GLY 198.A N VAL 195.A O no hydrogen 2.821 N/A GLY 199.A N PHE 194.A O no hydrogen 2.827 N/A ARG 200.A NE TRP 219.A O no hydrogen 2.756 N/A ARG 200.A NH1 VAL 195.A O no hydrogen 3.262 N/A ARG 200.A NH1 GLY 199.A O no hydrogen 3.142 N/A ARG 200.A NH2 TRP 219.A O no hydrogen 2.827 N/A ASN 206.A ND2 ALA 249.A O no hydrogen 2.712 N/A CYS 207.A N PRO 204.A O no hydrogen 2.950 N/A CYS 207.A SG PRO 208.A O no hydrogen 3.587 N/A TYR 212.A N PRO 208.A O no hydrogen 3.135 N/A TYR 212.A OH MET 201.A O no hydrogen 2.516 N/A ARG 213.A N GLY 209.A O no hydrogen 2.757 N/A ILE 214.A N PRO 210.A O no hydrogen 3.300 N/A ILE 214.A N VAL 211.A O no hydrogen 3.026 N/A MET 215.A N VAL 211.A O no hydrogen 3.235 N/A THR 216.A N TYR 212.A O no hydrogen 2.831 N/A THR 216.A OG1 TYR 212.A O no hydrogen 3.190 N/A GLN 217.A N ARG 213.A O no hydrogen 3.275 N/A CYS 218.A N ILE 214.A O no hydrogen 3.101 N/A CYS 218.A SG THR 165.A O no hydrogen 3.571 N/A CYS 218.A SG ILE 214.A O no hydrogen 3.139 N/A TRP 219.A N MET 215.A O no hydrogen 3.073 N/A TRP 219.A N THR 216.A O no hydrogen 3.155 N/A GLU 224.A N GLU 224.A OE1 no hydrogen 2.746 N/A ASP 225.A N GLN 222.A O no hydrogen 3.185 N/A ARG 226.A N PRO 223.A O no hydrogen 2.924 N/A ARG 226.A NE GLN 220.A O no hydrogen 2.704 N/A ARG 226.A NH1 GLU 155.A OE2 no hydrogen 3.016 N/A ARG 226.A NH1 LYS 162.A O no hydrogen 3.207 N/A ARG 226.A NH2 GLU 155.A OE1 no hydrogen 3.420 N/A ARG 226.A NH2 GLU 155.A OE2 no hydrogen 3.440 N/A ARG 226.A NH2 GLN 220.A O no hydrogen 3.170 N/A PHE 229.A N GLU 106.A OE1 no hydrogen 2.921 N/A ILE 231.A N ASN 228.A OD1 no hydrogen 2.884 N/A ILE 232.A N ASN 228.A O no hydrogen 3.142 N/A LEU 233.A N PHE 229.A O no hydrogen 2.883 N/A GLU 234.A N ALA 230.A O no hydrogen 2.980 N/A ARG 235.A N ILE 231.A O no hydrogen 2.872 N/A ILE 236.A N ILE 232.A O no hydrogen 2.783 N/A GLU 237.A N LEU 233.A O no hydrogen 2.657 N/A TYR 238.A N GLU 234.A O no hydrogen 2.980 N/A CYS 239.A N ARG 235.A O no hydrogen 3.035 N/A CYS 239.A SG ARG 235.A O no hydrogen 3.511 N/A THR 240.A N ILE 236.A O no hydrogen 3.016 N/A THR 240.A OG1 ILE 236.A O no hydrogen 3.051 N/A GLN 241.A N GLU 237.A O no hydrogen 3.043 N/A GLN 241.A N TYR 238.A O no hydrogen 3.143 N/A ASP 242.A N TYR 238.A O no hydrogen 3.014 N/A ASP 244.A N ASP 242.A OD1 no hydrogen 2.990 N/A ILE 246.A N ASP 242.A O no hydrogen 3.252 N/A ASN 247.A N PRO 243.A O no hydrogen 2.573 N/A THR 248.A N VAL 245.A O no hydrogen 3.385 N/A THR 248.A OG1 ASP 244.A O no hydrogen 2.461 N/A THR 248.A OG1 VAL 245.A O no hydrogen 3.225 N/A