Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3isa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG GLU 31.A OE2 no hydrogen 3.191 N/A ALA 7.A N THR 18.A O no hydrogen 3.005 N/A GLU 9.A N THR 16.A O no hydrogen 2.846 N/A ARG 11.A N ALA 14.A O no hydrogen 2.932 N/A ARG 11.A NH1 ARG 10.A O no hydrogen 2.713 N/A ALA 14.A N ARG 11.A O no hydrogen 3.340 N/A TRP 15.A N LEU 50.A O no hydrogen 2.970 N/A THR 16.A N GLU 9.A O no hydrogen 2.880 N/A PHE 17.A N VAL 52.A O no hydrogen 2.734 N/A THR 18.A N ALA 7.A O no hydrogen 2.783 N/A LEU 19.A N ALA 54.A O no hydrogen 2.832 N/A SER 20.A N PRO 5.A O no hydrogen 2.770 N/A SER 20.A OG THR 18.A O no hydrogen 2.842 N/A ARG 21.A N ASN 26.A OD1 no hydrogen 2.671 N/A ARG 21.A NH1 ALA 27.A O no hydrogen 2.879 N/A ARG 21.A NH1 ASP 65.A OD2 no hydrogen 2.786 N/A ARG 21.A NH2 ASP 65.A OD2 no hydrogen 3.408 N/A LYS 24.A N ARG 21.A O no hydrogen 2.859 N/A ASN 26.A N ARG 21.A O no hydrogen 2.883 N/A ASN 26.A ND2 ALA 56.A O no hydrogen 2.872 N/A ASN 26.A ND2 ASN 59.A O no hydrogen 3.195 N/A ASN 26.A ND2 ASN 59.A OD1 no hydrogen 3.509 N/A ASN 26.A ND2 PHE 60.A O no hydrogen 3.292 N/A ALA 27.A N LYS 24.A O no hydrogen 2.997 N/A LEU 28.A N GLY 63.A O no hydrogen 2.702 N/A SER 29.A N ALA 27.A O no hydrogen 3.207 N/A LEU 32.A N SER 29.A OG no hydrogen 3.206 N/A VAL 33.A N SER 29.A O no hydrogen 3.100 N/A GLU 34.A N ALA 30.A O no hydrogen 2.982 N/A ALA 35.A N GLU 31.A O no hydrogen 2.921 N/A LEU 36.A N LEU 32.A O no hydrogen 2.892 N/A ILE 37.A N VAL 33.A O no hydrogen 2.901 N/A ASP 38.A N GLU 34.A O no hydrogen 2.918 N/A GLY 39.A N ALA 35.A O no hydrogen 2.937 N/A VAL 40.A N LEU 36.A O no hydrogen 2.939 N/A ASP 41.A N ILE 37.A O no hydrogen 2.920 N/A ALA 42.A N ASP 38.A O no hydrogen 2.998 N/A ALA 43.A N GLY 39.A O no hydrogen 2.931 N/A HIS 44.A N VAL 40.A O no hydrogen 3.027 N/A ARG 45.A N ASP 41.A O no hydrogen 3.029 N/A GLU 46.A N ALA 42.A O no hydrogen 2.934 N/A GLN 47.A N HIS 44.A O no hydrogen 3.185 N/A VAL 48.A N ALA 43.A O no hydrogen 3.099 N/A LEU 50.A N ALA 13.A O no hydrogen 3.041 N/A LEU 51.A N LEU 97.A O no hydrogen 2.854 N/A VAL 52.A N TRP 15.A O no hydrogen 2.816 N/A PHE 53.A N LEU 99.A O no hydrogen 2.730 N/A ALA 54.A N PHE 17.A O no hydrogen 3.056 N/A ALA 56.A N LEU 19.A O no hydrogen 2.756 N/A ASN 59.A ND2 ARG 25.A O no hydrogen 3.178 N/A ASN 59.A ND2 ARG 105.A O no hydrogen 2.979 N/A PHE 60.A N ASN 106.A OD1 no hydrogen 2.831 N/A SER 61.A N ASN 106.A OD1 no hydrogen 3.089 N/A SER 61.A OG ASN 26.A O no hydrogen 2.759 N/A ALA 62.A N ARG 25.A O no hydrogen 2.933 N/A GLY 63.A N SER 61.A OG no hydrogen 2.993 N/A ASP 65.A N LEU 28.A O no hydrogen 3.068 N/A THR 67.A N ASP 65.A OD1 no hydrogen 2.957 N/A THR 67.A OG1 ASP 65.A OD1 no hydrogen 2.686 N/A TYR 69.A N PHE 66.A O no hydrogen 3.065 N/A THR 71.A N ASP 68.A O no hydrogen 3.416 N/A THR 71.A OG1 ASP 68.A O no hydrogen 3.015 N/A GLN 72.A N TYR 69.A O no hydrogen 3.108 N/A SER 73.A N ASP 76.A OD2 no hydrogen 2.902 N/A ASP 76.A N SER 73.A OG no hydrogen 3.019 N/A LEU 77.A N SER 73.A O no hydrogen 3.079 N/A LEU 78.A N GLU 74.A O no hydrogen 3.023 N/A LEU 79.A N GLY 75.A O no hydrogen 2.895 N/A ARG 80.A N ASP 76.A O no hydrogen 3.104 N/A ARG 80.A NH1 ASP 65.A O no hydrogen 3.546 N/A ARG 80.A NH1 GLN 72.A OE1.A no hydrogen 3.182 N/A ARG 80.A NH1 GLN 72.A OE1.B no hydrogen 2.647 N/A ARG 80.A NH2 LEU 28.A O no hydrogen 3.224 N/A ARG 80.A NH2 ASP 65.A O no hydrogen 2.873 N/A MET 81.A N LEU 77.A O no hydrogen 3.067 N/A VAL 82.A N LEU 78.A O no hydrogen 2.849 N/A ARG 83.A N LEU 79.A O no hydrogen 2.912 N/A ARG 83.A NE GLU 34.A OE2 no hydrogen 2.924 N/A ARG 83.A NH2 GLU 34.A OE1 no hydrogen 2.826 N/A ILE 84.A N ARG 80.A O no hydrogen 3.022 N/A GLU 85.A N MET 81.A O no hydrogen 2.960 N/A MET 86.A N VAL 82.A O no hydrogen 2.899 N/A LEU 87.A N ARG 83.A O no hydrogen 2.895 N/A LEU 88.A N ILE 84.A O no hydrogen 2.845 N/A GLN 89.A N GLU 85.A O no hydrogen 2.921 N/A GLN 89.A NE2 GLU 85.A OE2 no hydrogen 2.744 N/A GLN 89.A NE2 ASP 214.A O no hydrogen 2.832 N/A ARG 90.A N MET 86.A O no hydrogen 3.059 N/A ARG 90.A NE ASP 41.A OD1 no hydrogen 2.722 N/A ARG 90.A NH1 ASP 41.A OD2 no hydrogen 3.063 N/A VAL 91.A N LEU 87.A O no hydrogen 3.009 N/A ALA 92.A N LEU 88.A O no hydrogen 2.819 N/A GLY 93.A N GLN 89.A O no hydrogen 2.901 N/A SER 94.A N VAL 91.A O no hydrogen 3.116 N/A SER 94.A OG HIS 44.A NE2.B no hydrogen 2.834 N/A SER 96.A N SER 94.A OG no hydrogen 2.995 N/A SER 96.A OG VAL 48.A O no hydrogen 2.504 N/A LEU 97.A N PRO 49.A O no hydrogen 2.796 N/A LEU 99.A N LEU 51.A O no hydrogen 2.801 N/A ALA 100.A N TRP 119.A O no hydrogen 2.875 N/A LEU 101.A N PHE 53.A O no hydrogen 2.977 N/A ALA 102.A N TYR 121.A O no hydrogen 2.918 N/A HIS 103.A NE2 GLY 57.A O no hydrogen 2.681 N/A ASN 106.A N GLY 127.A O no hydrogen 2.865 N/A ASN 106.A ND2 HIS 103.A O no hydrogen 3.078 N/A ASN 106.A ND2 GLY 127.A O no hydrogen 3.261 N/A PHE 107.A N SER 61.A O no hydrogen 3.147 N/A GLY 108.A N ARG 129.A O no hydrogen 2.852 N/A GLY 110.A N PHE 107.A O no hydrogen 2.947 N/A ASP 112.A N GLY 108.A O no hydrogen 3.037 N/A LEU 113.A N ALA 109.A O no hydrogen 2.781 N/A PHE 114.A N GLY 110.A O no hydrogen 3.141 N/A ALA 115.A N VAL 111.A O no hydrogen 2.855 N/A ALA 116.A N ASP 112.A O no hydrogen 2.805 N/A ALA 116.A N LEU 113.A O no hydrogen 3.249 N/A CYS 117.A N PHE 114.A O no hydrogen 3.148 N/A CYS 117.A SG LEU 113.A O no hydrogen 3.651 N/A LYS 118.A N THR 98.A OG1 no hydrogen 2.854 N/A LYS 118.A NZ ALA 92.A O no hydrogen 3.022 N/A TRP 119.A N THR 98.A O no hydrogen 2.938 N/A ARG 120.A NE.A PHE 173.A O no hydrogen 2.568 N/A ARG 120.A NE.B CYS 117.A O no hydrogen 2.638 N/A ARG 120.A NH1.A GLY 172.A O no hydrogen 3.337 N/A ARG 120.A NH1.A PHE 173.A O no hydrogen 3.210 N/A ARG 120.A NH1.B CYS 117.A O no hydrogen 2.857 N/A ARG 120.A NH2.A CYS 117.A O no hydrogen 2.943 N/A ARG 120.A NH2.B PHE 173.A O no hydrogen 3.009 N/A TYR 121.A N ALA 100.A O no hydrogen 3.001 N/A CYS 122.A N ASP 176.A O no hydrogen 3.422 N/A CYS 122.A SG THR 123.A O no hydrogen 3.528 N/A THR 123.A N ALA 102.A O no hydrogen 3.055 N/A ALA 126.A N THR 123.A O no hydrogen 3.026 N/A GLY 127.A N GLY 104.A O no hydrogen 2.941 N/A PHE 128.A N PHE 163.A O no hydrogen 2.978 N/A ARG 129.A N ASN 106.A O no hydrogen 3.006 N/A ARG 129.A NE ALA 160.A O no hydrogen 2.788 N/A ARG 129.A NH2 ALA 160.A O no hydrogen 3.005 N/A LYS 134.A N PRO 131.A O no hydrogen 2.875 N/A PHE 135.A N GLY 132.A O no hydrogen 2.974 N/A GLY 136.A N LEU 133.A O no hydrogen 2.918 N/A LEU 137.A N GLY 132.A O no hydrogen 2.917 N/A VAL 138.A N SER 224.A OG no hydrogen 2.908 N/A ARG 142.A NH1 ASP 217.A OD1 no hydrogen 3.080 N/A ARG 143.A NH1 GLU 85.A OE2 no hydrogen 2.794 N/A ARG 143.A NH2 GLU 85.A OE1 no hydrogen 2.832 N/A ARG 143.A NH2 GLU 85.A OE2 no hydrogen 3.532 N/A PHE 144.A N GLY 140.A O no hydrogen 2.966 N/A ARG 145.A N THR 141.A O no hydrogen 3.066 N/A ARG 145.A NE ASP 146.A OD1 no hydrogen 2.968 N/A ARG 145.A NH2 ASP 146.A OD1 no hydrogen 2.853 N/A ASP 146.A N ARG 142.A O no hydrogen 2.929 N/A ILE 147.A N ARG 143.A O no hydrogen 3.286 N/A ILE 147.A N PHE 144.A O no hydrogen 3.133 N/A VAL 148.A N PHE 144.A O no hydrogen 3.021 N/A GLY 149.A N ARG 145.A O no hydrogen 2.716 N/A GLN 152.A NE2 GLN 152.A O no hydrogen 3.355 N/A GLN 152.A NE2 GLU 167.A OE2 no hydrogen 3.451 N/A ALA 153.A N GLY 149.A O no hydrogen 2.930 N/A LEU 154.A N ALA 150.A O no hydrogen 2.900 N/A SER 155.A N ASP 151.A O no hydrogen 3.038 N/A SER 155.A OG.B ASP 151.A O no hydrogen 3.206 N/A ILE 156.A N GLN 152.A O no hydrogen 3.044 N/A LEU 157.A N ALA 153.A O no hydrogen 2.648 N/A GLY 158.A N LEU 154.A O no hydrogen 2.826 N/A ALA 160.A N LEU 157.A O no hydrogen 2.781 N/A ARG 161.A N ILE 156.A O no hydrogen 3.044 N/A ARG 161.A NE SER 155.A O no hydrogen 3.280 N/A ARG 161.A NH1 ALA 162.A O no hydrogen 2.935 N/A ARG 161.A NH1 GLU 167.A OE1 no hydrogen 2.981 N/A ARG 161.A NH1 GLU 167.A OE2 no hydrogen 3.361 N/A ARG 161.A NH2 SER 155.A OG.A no hydrogen 2.952 N/A ARG 161.A NH2 GLU 167.A OE2 no hydrogen 2.771 N/A PHE 163.A N PHE 128.A O no hydrogen 2.876 N/A GLU 167.A N ASP 164.A OD1 no hydrogen 3.020 N/A ALA 168.A N ASP 164.A O no hydrogen 2.920 N/A ARG 169.A N ALA 165.A O no hydrogen 2.980 N/A ARG 169.A NH2 ASP 176.A OD1 no hydrogen 3.411 N/A ARG 170.A N ASP 166.A O no hydrogen 3.053 N/A ARG 170.A NH1.B GLN 152.A OE1 no hydrogen 3.185 N/A ILE 171.A N GLU 167.A O no hydrogen 2.939 N/A GLY 172.A N ARG 169.A O no hydrogen 3.097 N/A PHE 173.A N ALA 168.A O no hydrogen 2.760 N/A VAL 174.A N ALA 168.A O no hydrogen 3.304 N/A ARG 175.A N ARG 120.A O no hydrogen 2.798 N/A ARG 175.A NE TYR 121.A OH no hydrogen 2.920 N/A CYS 177.A SG ALA 165.A O no hydrogen 3.423 N/A ALA 178.A N CYS 122.A O no hydrogen 2.711 N/A GLN 182.A N ALA 179.A O no hydrogen 2.947 N/A TRP 183.A N GLN 180.A O no hydrogen 3.057 N/A TRP 183.A NE1 ALA 178.A O no hydrogen 2.846 N/A LEU 186.A N GLN 182.A O no hydrogen 3.179 N/A ILE 187.A N TRP 183.A O no hydrogen 2.916 N/A ASP 188.A N PRO 184.A O no hydrogen 3.058 N/A ALA 189.A N ALA 185.A O no hydrogen 3.019 N/A ALA 190.A N LEU 186.A O no hydrogen 2.945 N/A ALA 191.A N ILE 187.A O no hydrogen 2.792 N/A GLU 192.A N ASP 188.A O no hydrogen 3.043 N/A ALA 193.A N ALA 189.A O no hydrogen 2.948 N/A ALA 194.A N ALA 190.A O no hydrogen 2.832 N/A THR 195.A N ALA 191.A O no hydrogen 3.110 N/A THR 195.A OG1 ALA 191.A O no hydrogen 2.950 N/A THR 195.A OG1 GLU 192.A O no hydrogen 3.330 N/A ALA 196.A N ALA 193.A O no hydrogen 3.173 N/A THR 201.A N ASP 198.A OD1 no hydrogen 2.930 N/A THR 201.A OG1 ASP 198.A OD1 no hydrogen 2.843 N/A ARG 202.A N ASP 198.A O no hydrogen 2.876 N/A ARG 202.A NE PRO 95.A O no hydrogen 3.303 N/A ARG 202.A NH1 ALA 194.A O no hydrogen 2.974 N/A ALA 203.A N PRO 199.A O no hydrogen 2.988 N/A THR 204.A N ALA 200.A O no hydrogen 2.990 N/A THR 204.A OG1 ALA 200.A O no hydrogen 3.077 N/A LEU 205.A N THR 201.A O no hydrogen 2.892 N/A HIS 206.A N ARG 202.A O no hydrogen 3.031 N/A HIS 206.A ND1 SER 94.A O no hydrogen 3.077 N/A ARG 207.A N ALA 203.A O no hydrogen 2.998 N/A ARG 207.A NH1.B THR 204.A OG1 no hydrogen 3.225 N/A VAL 208.A N THR 204.A O no hydrogen 2.889 N/A LEU 209.A N LEU 205.A O no hydrogen 2.867 N/A ARG 210.A N HIS 206.A O no hydrogen 3.083 N/A ARG 210.A NH1.A ASP 214.A OD2 no hydrogen 3.179 N/A ARG 210.A NH1.B ASP 214.A OD1 no hydrogen 3.067 N/A ARG 210.A NH1.B ASP 214.A OD2 no hydrogen 3.544 N/A ARG 210.A NH2.A ASP 214.A OD1 no hydrogen 2.561 N/A ARG 210.A NH2.A ASP 214.A OD2 no hydrogen 3.565 N/A ARG 210.A NH2.B ASP 214.A OD2 no hydrogen 3.074 N/A HIS 213.A ND1 ASP 217.A OD2 no hydrogen 2.834 N/A HIS 213.A NE2 ASP 146.A OD2 no hydrogen 2.473 N/A ASP 214.A N ASP 212.A OD1 no hydrogen 2.893 N/A ASP 217.A N HIS 213.A O no hydrogen 2.937 N/A LEU 218.A N ASP 214.A O no hydrogen 2.880 N/A ALA 219.A N ASP 215.A O no hydrogen 2.925 N/A ALA 220.A N ALA 216.A O no hydrogen 2.969 N/A LEU 221.A N ASP 217.A O no hydrogen 2.942 N/A ALA 222.A N LEU 218.A O no hydrogen 2.831 N/A ARG 223.A N ALA 219.A O no hydrogen 2.873 N/A SER 224.A N ALA 220.A O no hydrogen 3.087 N/A SER 224.A OG ALA 220.A O no hydrogen 3.464 N/A SER 224.A OG LEU 221.A O no hydrogen 2.817 N/A ALA 225.A N LEU 221.A O no hydrogen 3.009 N/A ALA 226.A N ALA 222.A O no hydrogen 2.923 N/A ALA 226.A N ARG 223.A O no hydrogen 3.303 N/A GLN 227.A NE2 ARG 223.A O no hydrogen 3.336 N/A GLY 229.A N GLU 74.A OE2.B no hydrogen 3.375 N/A LYS 231.A N GLU 74.A OE1.A no hydrogen 2.951 N/A LYS 231.A NZ GLU 70.A O no hydrogen 2.748 N/A LYS 231.A NZ GLN 72.A O no hydrogen 2.873 N/A ARG 233.A N GLY 229.A O no hydrogen 3.030 N/A ARG 233.A NE PHE 135.A O no hydrogen 3.086 N/A ARG 233.A NH1 PRO 228.A O no hydrogen 3.072 N/A ARG 233.A NH2 GLN 227.A O no hydrogen 3.246 N/A ILE 234.A N PHE 230.A O no hydrogen 3.017 N/A ARG 235.A N LYS 231.A O no hydrogen 2.880 N/A ARG 235.A NE GLU 70.A OE2 no hydrogen 2.787 N/A ARG 235.A NH2 GLU 70.A OE1 no hydrogen 2.802 N/A ASP 236.A N ALA 232.A O no hydrogen 2.960 N/A TYR 237.A N ARG 233.A O no hydrogen 3.063 N/A LEU 238.A N ILE 234.A O no hydrogen 2.908 N/A ALA 239.A N ARG 235.A O no hydrogen 3.052 N/A GLN 240.A N TYR 237.A O no hydrogen 3.198 N/A GLN 240.A NE2 ASP 236.A O no hydrogen 3.555 N/A