Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wa5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N ASP 8.A OD2 no hydrogen 2.964 N/A LYS 7.A NZ GLU 11.A OE1 no hydrogen 3.392 N/A LYS 7.A NZ GLU 11.A OE2 no hydrogen 3.124 N/A ASP 8.A N THR 5.A OG1 no hydrogen 3.018 N/A LEU 9.A N THR 5.A O no hydrogen 3.206 N/A ALA 10.A N GLU 6.A O no hydrogen 3.029 N/A GLU 11.A N LYS 7.A O no hydrogen 2.876 N/A ASP 12.A N ASP 8.A O no hydrogen 2.958 N/A ASP 12.A N LEU 9.A O no hydrogen 3.157 N/A TRP 15.A N ASP 219.A OD2.B no hydrogen 3.056 N/A LYS 16.A N ALA 13.A O no hydrogen 2.908 N/A LYS 16.A NZ GLU 11.A O no hydrogen 2.883 N/A ILE 18.A N PRO 14.A O no hydrogen 3.273 N/A GLN 19.A N TRP 15.A O no hydrogen 2.762 N/A GLN 19.A NE2 ASP 221.A OD2 no hydrogen 2.625 N/A GLN 20.A N LYS 16.A O no hydrogen 2.989 N/A ASN 21.A N LYS 17.A O no hydrogen 2.819 N/A ASN 21.A ND2 GLU 214.A OE2 no hydrogen 2.982 N/A THR 22.A N ILE 18.A O no hydrogen 2.852 N/A THR 22.A OG1 ILE 18.A O no hydrogen 2.903 N/A PHE 23.A N GLN 19.A O no hydrogen 2.831 N/A THR 24.A N GLN 20.A O no hydrogen 2.973 N/A THR 24.A OG1 GLN 20.A O no hydrogen 2.678 N/A ARG 25.A N ASN 21.A O no hydrogen 3.113 N/A ARG 25.A NH1 VAL 209.A O no hydrogen 2.908 N/A ARG 25.A NH1 GLU 214.A OE1 no hydrogen 3.023 N/A ARG 25.A NH2 GLU 214.A OE2 no hydrogen 3.142 N/A TRP 26.A N THR 22.A O no hydrogen 3.024 N/A TRP 26.A NE1 SER 123.A OG no hydrogen 2.983 N/A CYS 27.A N PHE 23.A O no hydrogen 3.020 N/A CYS 27.A SG PHE 23.A O no hydrogen 3.385 N/A ASN 28.A N THR 24.A O no hydrogen 2.861 N/A ASN 28.A ND2 ILE 38.A O no hydrogen 2.982 N/A GLU 29.A N ARG 25.A O no hydrogen 2.867 N/A HIS 30.A N TRP 26.A O no hydrogen 3.286 N/A HIS 30.A N CYS 27.A O no hydrogen 3.136 N/A HIS 30.A ND1 TRP 26.A O no hydrogen 2.931 N/A LEU 31.A N CYS 27.A O no hydrogen 2.902 N/A LYS 32.A N ASN 28.A O no hydrogen 2.995 N/A LYS 32.A NZ.B GLU 29.A O no hydrogen 2.902 N/A LYS 32.A NZ.B GLU 29.A OE1 no hydrogen 2.755 N/A CYS 33.A SG HIS 30.A O no hydrogen 3.618 N/A VAL 34.A N LEU 31.A O no hydrogen 2.963 N/A ASN 35.A N LYS 32.A O no hydrogen 3.019 N/A LYS 36.A N LEU 31.A O no hydrogen 3.329 N/A ILE 38.A N ASN 28.A OD1 no hydrogen 2.720 N/A GLY 39.A N ASP 44.A OD2 no hydrogen 2.817 N/A ASN 40.A N ASP 44.A OD2 no hydrogen 2.695 N/A GLN 42.A N ASN 40.A OD1 no hydrogen 2.978 N/A GLN 42.A NE2 GLY 106.A O no hydrogen 2.877 N/A THR 43.A N ASN 40.A O no hydrogen 3.184 N/A THR 43.A OG1 ASN 40.A O no hydrogen 3.340 N/A THR 43.A OG1 ASP 44.A OD1 no hydrogen 2.877 N/A ASP 44.A N ASN 40.A O no hydrogen 2.826 N/A SER 46.A N THR 43.A O no hydrogen 3.238 N/A SER 46.A OG GLN 42.A O no hydrogen 3.315 N/A SER 46.A OG THR 43.A O no hydrogen 3.346 N/A SER 46.A OG ILE 103.A O no hydrogen 2.814 N/A GLY 48.A N LEU 45.A O no hydrogen 2.895 N/A LEU 49.A N ASP 47.A OD1 no hydrogen 2.968 N/A ARG 50.A NH1 ASP 44.A O no hydrogen 2.917 N/A ILE 52.A N GLY 48.A O no hydrogen 2.793 N/A ALA 53.A N LEU 49.A O no hydrogen 2.937 N/A LEU 54.A N ARG 50.A O no hydrogen 2.981 N/A LEU 55.A N LEU 51.A O no hydrogen 2.889 N/A GLU 56.A N ILE 52.A O no hydrogen 3.060 N/A VAL 57.A N ALA 53.A O no hydrogen 3.148 N/A LEU 58.A N LEU 54.A O no hydrogen 2.938 N/A SER 59.A N LEU 55.A O no hydrogen 2.908 N/A SER 59.A OG LEU 55.A O no hydrogen 2.711 N/A SER 59.A OG GLU 56.A O no hydrogen 3.534 N/A GLN 60.A NE2 VAL 57.A O no hydrogen 2.754 N/A LYS 61.A N SER 59.A OG no hydrogen 3.076 N/A LYS 61.A NZ GLU 91.A OE2 no hydrogen 2.925 N/A MET 63.A N GLU 56.A OE2 no hydrogen 2.951 N/A ARG 65.A NE GLU 86.A OE1 no hydrogen 2.946 N/A ARG 65.A NH2 GLU 86.A OE2 no hydrogen 2.686 N/A HIS 68.A N ASN 80.A OD1 no hydrogen 2.688 N/A HIS 68.A NE2 GLU 79.A OE1 no hydrogen 2.757 N/A GLN 69.A NE2 TYR 67.A OH no hydrogen 3.302 N/A THR 72.A N ARG 70.A O no hydrogen 2.885 N/A ARG 74.A NH1 ASP 105.A OD1 no hydrogen 2.648 N/A ARG 74.A NH1 ASP 105.A OD2 no hydrogen 3.428 N/A ARG 74.A NH2 ASP 105.A OD2 no hydrogen 3.098 N/A GLN 75.A NE2 GLU 79.A OE2 no hydrogen 3.014 N/A GLN 77.A N PHE 73.A O no hydrogen 3.134 N/A GLN 77.A NE2 PRO 71.A O no hydrogen 3.088 N/A LEU 78.A N ARG 74.A O no hydrogen 2.861 N/A GLU 79.A N GLN 75.A O no hydrogen 3.059 N/A ASN 80.A N MET 76.A O no hydrogen 2.931 N/A ASN 80.A ND2 ASP 47.A O no hydrogen 3.028 N/A ASN 80.A ND2 HIS 68.A O no hydrogen 2.769 N/A VAL 81.A N GLN 77.A O no hydrogen 2.989 N/A SER 82.A N LEU 78.A O no hydrogen 2.882 N/A SER 82.A OG LEU 78.A O no hydrogen 2.984 N/A SER 82.A OG SER 100.A OG no hydrogen 2.586 N/A VAL 83.A N GLU 79.A O no hydrogen 2.991 N/A ALA 84.A N ASN 80.A O no hydrogen 3.230 N/A LEU 85.A N VAL 81.A O no hydrogen 2.856 N/A GLU 86.A N SER 82.A O no hydrogen 2.894 N/A PHE 87.A N VAL 83.A O no hydrogen 2.984 N/A LEU 88.A N ALA 84.A O no hydrogen 3.174 N/A ASP 89.A N LEU 85.A O no hydrogen 2.950 N/A ARG 90.A N GLU 86.A O no hydrogen 2.789 N/A ARG 90.A NE GLU 86.A OE2 no hydrogen 3.007 N/A GLU 91.A N PHE 87.A O no hydrogen 3.054 N/A SER 92.A N ASP 89.A O no hydrogen 3.095 N/A ILE 93.A N LEU 88.A O no hydrogen 3.003 N/A SER 100.A OG SER 82.A OG no hydrogen 2.586 N/A LYS 101.A NZ ASP 99.A OD2 no hydrogen 2.800 N/A ALA 102.A N ASP 99.A OD1 no hydrogen 3.050 N/A ILE 103.A N SER 100.A O no hydrogen 3.033 N/A VAL 104.A N SER 100.A O no hydrogen 2.919 N/A ASP 105.A N LYS 101.A O no hydrogen 2.770 N/A GLY 106.A N ILE 103.A O no hydrogen 3.276 N/A ASN 107.A N ALA 102.A O no hydrogen 2.953 N/A LEU 110.A N ASN 107.A OD1 no hydrogen 3.331 N/A ILE 111.A N ASN 107.A O no hydrogen 2.912 N/A LEU 112.A N LEU 108.A O no hydrogen 2.835 N/A GLY 113.A N LYS 109.A O no hydrogen 2.991 N/A LEU 114.A N LEU 110.A O no hydrogen 2.897 N/A VAL 115.A N ILE 111.A O no hydrogen 2.944 N/A TRP 116.A N LEU 112.A O no hydrogen 2.841 N/A THR 117.A N GLY 113.A O no hydrogen 3.062 N/A THR 117.A OG1 GLY 113.A O no hydrogen 2.990 N/A LEU 118.A N LEU 114.A O no hydrogen 3.182 N/A ILE 119.A N VAL 115.A O no hydrogen 2.966 N/A LEU 120.A N TRP 116.A O no hydrogen 2.748 N/A HIS 121.A N THR 117.A O no hydrogen 3.016 N/A TYR 122.A N LEU 118.A O no hydrogen 2.757 N/A SER 123.A N ILE 119.A O no hydrogen 2.867 N/A SER 125.A N LEU 120.A O no hydrogen 2.787 N/A MET 126.A N HIS 121.A O no hydrogen 2.967 N/A THR 135.A N GLN 138.A OE1 no hydrogen 2.821 N/A LYS 137.A NZ GLU 222.A OE1 no hydrogen 2.542 N/A GLN 138.A N THR 135.A OG1 no hydrogen 3.175 N/A ARG 139.A N THR 135.A O no hydrogen 2.926 N/A ARG 139.A NE ILE 124.A O no hydrogen 3.362 N/A ARG 139.A NH2 ILE 124.A O no hydrogen 3.220 N/A ARG 139.A NH2 PRO 127.A O no hydrogen 2.754 N/A LEU 140.A N PRO 136.A O no hydrogen 3.068 N/A LEU 141.A N LYS 137.A O no hydrogen 3.040 N/A GLY 142.A N GLN 138.A O no hydrogen 2.939 N/A TRP 143.A N ARG 139.A O no hydrogen 3.052 N/A ILE 144.A N LEU 140.A O no hydrogen 2.988 N/A GLN 145.A N LEU 141.A O no hydrogen 2.796 N/A GLN 145.A NE2 GLN 145.A O no hydrogen 2.944 N/A GLN 145.A NE2 LEU 151.A O no hydrogen 2.776 N/A ASN 146.A N GLY 142.A O no hydrogen 3.081 N/A LYS 147.A N TRP 143.A O no hydrogen 3.230 N/A LYS 147.A NZ LYS 236.A O no hydrogen 2.891 N/A ILE 148.A N ILE 144.A O no hydrogen 3.084 N/A LEU 151.A N ILE 148.A O no hydrogen 3.434 N/A ILE 153.A N GLN 145.A OE1 no hydrogen 2.881 N/A THR 154.A N ASN 159.A OD1 no hydrogen 2.780 N/A ASN 155.A N ASN 159.A OD1 no hydrogen 3.078 N/A PHE 156.A N GLU 222.A OE2 no hydrogen 2.797 N/A ASN 157.A N ASN 155.A OD1 no hydrogen 3.130 N/A GLN 158.A N ASN 157.A OD1 no hydrogen 2.674 N/A GLN 158.A NE2.A GLN 161.A OE1 no hydrogen 3.098 N/A ASN 159.A N ASN 155.A OD1 no hydrogen 2.887 N/A TRP 160.A N ASN 157.A O no hydrogen 3.002 N/A TRP 160.A NE1 ASN 155.A O no hydrogen 3.021 N/A GLN 161.A N GLN 158.A O no hydrogen 3.251 N/A GLY 163.A N TRP 160.A O no hydrogen 3.186 N/A LYS 164.A N ASP 162.A OD1 no hydrogen 2.981 N/A LYS 164.A NZ GLU 182.A O no hydrogen 3.020 N/A LYS 164.A NZ TRP 184.A O no hydrogen 3.060 N/A GLY 167.A N GLY 163.A O no hydrogen 3.428 N/A ALA 168.A N LYS 164.A O no hydrogen 2.817 N/A LEU 169.A N ALA 165.A O no hydrogen 2.871 N/A VAL 170.A N LEU 166.A O no hydrogen 3.034 N/A ASP 171.A N GLY 167.A O no hydrogen 2.994 N/A SER 172.A N ALA 168.A O no hydrogen 2.992 N/A SER 172.A OG LYS 147.A O no hydrogen 2.583 N/A CYS 173.A N LEU 169.A O no hydrogen 2.993 N/A CYS 173.A SG LEU 169.A O no hydrogen 3.299 N/A ALA 174.A N VAL 170.A O no hydrogen 3.085 N/A GLY 176.A N ASP 171.A OD1 no hydrogen 2.784 N/A LEU 177.A N ALA 174.A O no hydrogen 3.156 N/A CYS 178.A N ASP 171.A OD1 no hydrogen 2.958 N/A ASP 180.A N ASP 180.A OD1 no hydrogen 2.636 N/A TRP 181.A N CYS 178.A O no hydrogen 3.347 N/A SER 183.A N ASP 180.A O no hydrogen 2.977 N/A SER 183.A OG ASP 180.A O no hydrogen 2.916 N/A TRP 184.A N TRP 181.A O no hydrogen 3.118 N/A GLN 187.A N ASP 185.A OD1 no hydrogen 2.841 N/A LYS 188.A N ASP 185.A O no hydrogen 2.900 N/A ASN 192.A N LYS 188.A O no hydrogen 3.051 N/A ASN 192.A ND2 ASP 162.A O no hydrogen 2.820 N/A ASN 192.A ND2 ASP 185.A O no hydrogen 2.919 N/A ALA 193.A N PRO 189.A O no hydrogen 2.823 N/A ARG 194.A N VAL 190.A O no hydrogen 2.931 N/A GLU 195.A N ASP 191.A O no hydrogen 3.077 N/A ALA 196.A N ASN 192.A O no hydrogen 3.051 N/A MET 197.A N ALA 193.A O no hydrogen 2.929 N/A GLN 198.A N ARG 194.A O no hydrogen 2.884 N/A GLN 198.A NE2 ASP 202.A OD1 no hydrogen 3.037 N/A GLN 199.A N GLU 195.A O no hydrogen 3.017 N/A GLN 199.A NE2 LEU 177.A O no hydrogen 3.017 N/A ALA 200.A N ALA 196.A O no hydrogen 2.947 N/A ASP 201.A N MET 197.A O no hydrogen 2.943 N/A ASP 202.A N GLN 198.A O no hydrogen 2.818 N/A TRP 203.A N GLN 199.A O no hydrogen 2.857 N/A TRP 203.A NE1 GLN 199.A OE1 no hydrogen 2.894 N/A LEU 204.A N ALA 200.A O no hydrogen 2.997 N/A VAL 206.A N ALA 200.A O no hydrogen 2.965 N/A GLN 208.A NE2 GLN 198.A OE1 no hydrogen 2.935 N/A GLN 208.A NE2 ASP 201.A OD2 no hydrogen 2.988 N/A VAL 209.A N PRO 207.A O no hydrogen 2.962 N/A THR 211.A N GLU 214.A OE1 no hydrogen 3.044 N/A GLU 214.A N THR 211.A OG1 no hydrogen 3.247 N/A ILE 215.A N THR 211.A O no hydrogen 2.921 N/A HIS 217.A N GLU 214.A O no hydrogen 3.061 N/A ASP 219.A N HIS 217.A ND1 no hydrogen 3.055 N/A VAL 220.A N HIS 217.A O no hydrogen 2.859 N/A SER 224.A N ASP 221.A OD2 no hydrogen 2.946 N/A SER 224.A OG ASP 221.A OD1 no hydrogen 2.887 N/A SER 224.A OG ASP 221.A OD2 no hydrogen 3.277 N/A MET 226.A N GLU 222.A O no hydrogen 2.820 N/A THR 227.A N HIS 223.A O no hydrogen 2.951 N/A THR 227.A OG1 HIS 223.A O no hydrogen 2.611 N/A TYR 228.A N SER 224.A O no hydrogen 3.399 N/A LEU 229.A N VAL 225.A O no hydrogen 2.882 N/A SER 230.A N MET 226.A O no hydrogen 2.866 N/A SER 230.A OG MET 226.A O no hydrogen 3.337 N/A SER 230.A OG THR 227.A O no hydrogen 3.061 N/A GLN 231.A N TYR 228.A O no hydrogen 3.197 N/A GLN 231.A NE2 PRO 207.A O no hydrogen 2.926 N/A GLN 231.A NE2 TYR 228.A O no hydrogen 3.016 N/A PHE 232.A N LEU 229.A O no hydrogen 3.041 N/A LYS 234.A NZ SER 123.A O no hydrogen 2.694 N/A LYS 234.A NZ SER 230.A O no hydrogen 2.709 N/A