Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6siq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N GLY 1.A O no hydrogen 3.033 N/A MET 6.A N MET 3.A O no hydrogen 3.113 N/A ARG 8.A NH1 GLU 45.A OE1 no hydrogen 3.436 N/A ARG 8.A NH1 GLU 45.A OE2 no hydrogen 2.879 N/A ARG 8.A NH2 GLU 45.A OE1 no hydrogen 2.767 N/A LEU 11.A N GLU 7.A O no hydrogen 2.973 N/A ILE 12.A N ARG 8.A O no hydrogen 3.054 N/A GLN 13.A N ALA 9.A O no hydrogen 2.961 N/A LYS 14.A N SER 10.A O no hydrogen 2.822 N/A ALA 15.A N LEU 11.A O no hydrogen 2.834 N/A LYS 16.A N ILE 12.A O no hydrogen 3.064 N/A LYS 16.A NZ GLU 44.A OE2 no hydrogen 3.544 N/A LEU 17.A N GLN 13.A O no hydrogen 3.029 N/A ALA 18.A N LYS 14.A O no hydrogen 2.827 N/A GLU 19.A N ALA 15.A O no hydrogen 2.963 N/A GLN 20.A N LYS 16.A O no hydrogen 3.115 N/A ALA 21.A N LEU 17.A O no hydrogen 2.917 N/A GLU 22.A N GLU 19.A O no hydrogen 2.969 N/A ARG 23.A N ALA 18.A O no hydrogen 2.859 N/A ARG 23.A NE ASP 26.A OD2 no hydrogen 2.953 N/A ARG 23.A NH2 ASP 26.A OD2 no hydrogen 2.784 N/A MET 27.A N ARG 23.A O no hydrogen 2.906 N/A ALA 28.A N TYR 24.A O no hydrogen 2.832 N/A ALA 29.A N GLU 25.A O no hydrogen 3.006 N/A PHE 30.A N ASP 26.A O no hydrogen 2.889 N/A MET 31.A N MET 27.A O no hydrogen 2.988 N/A LYS 32.A N ALA 28.A O no hydrogen 2.801 N/A LYS 32.A NZ GLU 36.A OE2 no hydrogen 2.842 N/A GLY 33.A N ALA 29.A O no hydrogen 3.008 N/A ALA 34.A N PHE 30.A O no hydrogen 2.896 N/A VAL 35.A N MET 31.A O no hydrogen 2.854 N/A GLU 36.A N LYS 32.A O no hydrogen 2.946 N/A LYS 37.A N ALA 34.A O no hydrogen 3.103 N/A LYS 37.A NZ MET 3.A O no hydrogen 3.523 N/A LYS 37.A NZ MET 6.A O no hydrogen 2.732 N/A GLY 38.A N VAL 35.A O no hydrogen 2.961 N/A SER 42.A N GLU 45.A OE1 no hydrogen 2.896 N/A CYS 43.A SG ASN 47.A OD1.B no hydrogen 3.645 N/A GLU 45.A N SER 42.A OG no hydrogen 3.195 N/A ARG 46.A N SER 42.A O no hydrogen 2.855 N/A ASN 47.A N CYS 43.A O no hydrogen 3.067 N/A ASN 47.A ND2.A CYS 43.A O no hydrogen 2.848 N/A LEU 48.A N GLU 44.A O no hydrogen 2.931 N/A LEU 49.A N GLU 45.A O no hydrogen 2.955 N/A SER 50.A N ARG 46.A O no hydrogen 2.974 N/A VAL 51.A N ASN 47.A O no hydrogen 2.856 N/A ALA 52.A N LEU 48.A O no hydrogen 3.015 N/A TYR 53.A N LEU 49.A O no hydrogen 3.221 N/A LYS 54.A N SER 50.A O no hydrogen 2.836 N/A ASN 55.A N VAL 51.A O no hydrogen 3.109 N/A ASN 55.A ND2 VAL 51.A O no hydrogen 2.884 N/A VAL 56.A N ALA 52.A O no hydrogen 3.109 N/A VAL 57.A N TYR 53.A O no hydrogen 2.855 N/A GLY 58.A N LYS 54.A O no hydrogen 2.873 N/A GLY 59.A N ASN 55.A O no hydrogen 3.152 N/A GLN 60.A N VAL 56.A O no hydrogen 3.330 N/A GLN 60.A NE2 GLU 88.A OE2.B no hydrogen 2.787 N/A ARG 61.A N VAL 57.A O no hydrogen 2.802 N/A ARG 61.A NE GLU 130.A OE1 no hydrogen 3.004 N/A ARG 61.A NH2 GLU 130.A OE1 no hydrogen 3.509 N/A ARG 61.A NH2 GLU 130.A OE2 no hydrogen 2.877 N/A ALA 62.A N GLY 58.A O no hydrogen 3.040 N/A ALA 63.A N GLY 59.A O no hydrogen 3.025 N/A TRP 64.A N GLN 60.A O no hydrogen 2.777 N/A TRP 64.A NE1 GLU 86.A OE1 no hydrogen 2.856 N/A ARG 65.A N ARG 61.A O no hydrogen 2.921 N/A VAL 66.A N ALA 62.A O no hydrogen 3.127 N/A LEU 67.A N ALA 63.A O no hydrogen 3.016 N/A SER 68.A N TRP 64.A O no hydrogen 2.806 N/A SER 68.A OG.B TRP 64.A O no hydrogen 3.090 N/A SER 69.A N ARG 65.A O no hydrogen 2.981 N/A ILE 70.A N VAL 66.A O no hydrogen 3.086 N/A GLU 71.A N LEU 67.A O no hydrogen 2.871 N/A GLN 72.A N SER 68.A O no hydrogen 2.922 N/A LYS 73.A N SER 69.A O no hydrogen 2.987 N/A SER 74.A N ILE 70.A O no hydrogen 2.824 N/A ASN 75.A N GLU 71.A O no hydrogen 2.956 N/A ASN 75.A N GLN 72.A O no hydrogen 2.969 N/A GLU 77.A N GLU 77.A OE1 no hydrogen 2.820 N/A ARG 79.A NH1 GLU 83.A OE1 no hydrogen 3.470 N/A GLU 80.A N PRO 76.A O no hydrogen 2.899 N/A TYR 81.A N GLU 77.A O no hydrogen 2.920 N/A ARG 82.A N VAL 78.A O no hydrogen 2.895 N/A ARG 82.A NE GLU 71.A OE1 no hydrogen 2.750 N/A ARG 82.A NH1 GLU 86.A OE1 no hydrogen 2.954 N/A ARG 82.A NH2 GLU 71.A OE1 no hydrogen 3.378 N/A ARG 82.A NH2 GLU 71.A OE2 no hydrogen 2.878 N/A GLU 83.A N ARG 79.A O no hydrogen 2.853 N/A LYS 84.A N GLU 80.A O no hydrogen 2.932 N/A VAL 85.A N TYR 81.A O no hydrogen 3.002 N/A GLU 86.A N ARG 82.A O no hydrogen 2.831 N/A THR 87.A N GLU 83.A O no hydrogen 2.834 N/A THR 87.A OG1.A GLU 83.A O no hydrogen 2.888 N/A THR 87.A OG1.B GLU 83.A O no hydrogen 3.010 N/A THR 87.A OG1.B LYS 84.A O no hydrogen 2.702 N/A GLU 88.A N LYS 84.A O no hydrogen 3.131 N/A LEU 89.A N VAL 85.A O no hydrogen 2.881 N/A GLN 90.A N GLU 86.A O no hydrogen 2.875 N/A GLY 91.A N THR 87.A O no hydrogen 2.855 N/A VAL 92.A N GLU 88.A O no hydrogen 3.040 N/A CYS 93.A N LEU 89.A O no hydrogen 2.994 N/A CYS 93.A SG LEU 89.A O no hydrogen 3.512 N/A CYS 93.A SG TYR 124.A O no hydrogen 3.749 N/A ASP 94.A N GLN 90.A O no hydrogen 2.838 N/A THR 95.A N GLY 91.A O no hydrogen 2.928 N/A THR 95.A OG1 GLY 91.A O no hydrogen 3.063 N/A VAL 96.A N VAL 92.A O no hydrogen 2.987 N/A LEU 97.A N CYS 93.A O no hydrogen 2.927 N/A GLY 98.A N ASP 94.A O no hydrogen 2.891 N/A LEU 99.A N THR 95.A O no hydrogen 3.020 N/A LEU 100.A N VAL 96.A O no hydrogen 2.994 N/A ASP 101.A N LEU 97.A O no hydrogen 2.915 N/A SER 102.A N LEU 99.A O no hydrogen 3.325 N/A LEU 104.A N LEU 99.A O no hydrogen 3.363 N/A ILE 105.A N LEU 100.A O no hydrogen 2.887 N/A LYS 106.A NZ HIS 103.A ND1 no hydrogen 2.877 N/A GLU 107.A N HIS 103.A O no hydrogen 3.199 N/A ALA 108.A N ILE 105.A O no hydrogen 3.005 N/A SER 113.A N ASP 110.A O no hydrogen 3.226 N/A SER 113.A OG ASP 110.A O no hydrogen 3.044 N/A ARG 114.A N ASP 110.A O no hydrogen 2.904 N/A ARG 114.A NH1 ALA 108.A O no hydrogen 3.141 N/A ARG 114.A NH2 GLU 150.A OE2.A no hydrogen 3.463 N/A VAL 115.A N ALA 111.A O no hydrogen 2.816 N/A TYR 117.A N SER 113.A O no hydrogen 3.006 N/A LEU 118.A N ARG 114.A O no hydrogen 2.964 N/A LYS 119.A N VAL 115.A O no hydrogen 2.876 N/A LYS 119.A NZ ASP 123.A OD2 no hydrogen 2.826 N/A MET 120.A N PHE 116.A O no hydrogen 3.057 N/A LYS 121.A N TYR 117.A O no hydrogen 2.854 N/A LYS 121.A NZ ASP 101.A OD1.B no hydrogen 3.280 N/A GLY 122.A N LEU 118.A O no hydrogen 2.962 N/A ASP 123.A N LYS 119.A O no hydrogen 2.822 N/A TYR 124.A N MET 120.A O no hydrogen 2.894 N/A TYR 125.A N LYS 121.A O no hydrogen 3.041 N/A ARG 126.A N GLY 122.A O no hydrogen 2.881 N/A ARG 126.A NE TYR 148.A OH no hydrogen 2.909 N/A ARG 126.A NH2 ASP 123.A OD1 no hydrogen 3.201 N/A ARG 126.A NH2 TYR 148.A OH no hydrogen 3.530 N/A TYR 127.A N ASP 123.A O no hydrogen 2.875 N/A LEU 128.A N TYR 124.A O no hydrogen 3.083 N/A ALA 129.A N TYR 125.A O no hydrogen 2.809 N/A GLU 130.A N ARG 126.A O no hydrogen 3.038 N/A VAL 131.A N LEU 128.A O no hydrogen 3.143 N/A ALA 132.A N ALA 129.A O no hydrogen 3.254 N/A ARG 139.A N ASP 135.A O no hydrogen 3.108 N/A ILE 140.A N ASP 136.A O no hydrogen 2.893 N/A ILE 141.A N LYS 137.A O no hydrogen 2.859 N/A ASP 142.A N LYS 138.A O no hydrogen 2.977 N/A SER 143.A N ARG 139.A O no hydrogen 2.985 N/A SER 143.A OG ARG 139.A O no hydrogen 3.282 N/A ALA 144.A N ILE 140.A O no hydrogen 2.973 N/A ARG 145.A N ILE 141.A O no hydrogen 2.941 N/A ARG 145.A NE.B ASP 142.A OD1 no hydrogen 2.885 N/A ARG 145.A NH2.B ASP 142.A OD1 no hydrogen 3.338 N/A SER 146.A N ASP 142.A O no hydrogen 2.887 N/A SER 146.A OG.B ASP 142.A O no hydrogen 2.698 N/A ALA 147.A N SER 143.A O no hydrogen 3.148 N/A TYR 148.A N ALA 144.A O no hydrogen 2.941 N/A TYR 148.A OH ASP 123.A OD1 no hydrogen 2.528 N/A GLN 149.A N ARG 145.A O no hydrogen 2.793 N/A GLN 149.A NE2 GLN 149.A O no hydrogen 3.408 N/A GLN 149.A NE2 ASP 153.A OD1 no hydrogen 3.049 N/A GLU 150.A N.A SER 146.A O no hydrogen 3.057 N/A GLU 150.A N.B SER 146.A O no hydrogen 3.046 N/A ALA 151.A N ALA 147.A O no hydrogen 3.004 N/A MET 152.A N TYR 148.A O no hydrogen 2.783 N/A ASP 153.A N GLN 149.A O no hydrogen 2.867 N/A ILE 154.A N GLU 150.A O.A no hydrogen 3.130 N/A ILE 154.A N GLU 150.A O.B no hydrogen 3.081 N/A SER 155.A N ALA 151.A O no hydrogen 2.904 N/A SER 155.A OG.A ALA 151.A O no hydrogen 3.478 N/A SER 155.A OG.A MET 152.A O no hydrogen 2.969 N/A LYS 156.A N MET 152.A O no hydrogen 2.942 N/A LYS 157.A N ASP 153.A O no hydrogen 3.323 N/A LYS 157.A N ILE 154.A O no hydrogen 3.103 N/A GLU 158.A N ILE 154.A O no hydrogen 2.878 N/A MET 159.A N SER 155.A O no hydrogen 2.923 N/A THR 162.A OG1 ASP 201.A OD2 no hydrogen 2.723 N/A ASN 163.A N PRO 160.A O no hydrogen 2.999 N/A ASN 163.A ND2 GLU 112.A OE2 no hydrogen 2.839 N/A ILE 165.A N ASN 163.A OD1 no hydrogen 2.893 N/A ARG 166.A N ASN 163.A OD1 no hydrogen 3.211 N/A ARG 166.A NH1 MET 159.A O no hydrogen 2.858 N/A LEU 167.A N ASN 163.A O no hydrogen 2.865 N/A GLY 168.A N PRO 164.A O no hydrogen 2.880 N/A LEU 169.A N ILE 165.A O no hydrogen 2.909 N/A ALA 170.A N ARG 166.A O no hydrogen 2.971 N/A LEU 171.A N LEU 167.A O no hydrogen 2.900 N/A ASN 172.A N GLY 168.A O no hydrogen 3.026 N/A ASN 172.A ND2 ASP 123.A OD1 no hydrogen 2.957 N/A ASN 172.A ND2 ASP 123.A OD2 no hydrogen 3.224 N/A PHE 173.A N LEU 169.A O no hydrogen 2.852 N/A SER 174.A N ALA 170.A O no hydrogen 2.859 N/A SER 174.A OG.A ALA 187.A O no hydrogen 2.699 N/A SER 174.A OG.B ALA 170.A O no hydrogen 3.373 N/A SER 174.A OG.B LEU 171.A O no hydrogen 2.654 N/A VAL 175.A N LEU 171.A O no hydrogen 3.152 N/A PHE 176.A N ASN 172.A O no hydrogen 2.867 N/A HIS 177.A N PHE 173.A O no hydrogen 2.864 N/A TYR 178.A N SER 174.A O no hydrogen 2.984 N/A GLU 179.A N VAL 175.A O no hydrogen 2.834 N/A ILE 180.A N PHE 176.A O no hydrogen 2.919 N/A ALA 181.A N PHE 176.A O no hydrogen 2.949 N/A SER 183.A N HIS 177.A O no hydrogen 2.762 N/A SER 183.A OG.A ALA 181.A O no hydrogen 3.193 N/A SER 183.A OG.B ALA 181.A O no hydrogen 3.193 N/A ALA 187.A N SER 183.A O no hydrogen 3.001 N/A ILE 188.A N PRO 184.A O no hydrogen 2.909 N/A SER 189.A N GLU 185.A O no hydrogen 2.885 N/A SER 189.A OG.B GLU 185.A O no hydrogen 2.977 N/A LEU 190.A N GLU 186.A O no hydrogen 2.876 N/A ALA 191.A N ALA 187.A O no hydrogen 2.997 N/A LYS 192.A N ILE 188.A O no hydrogen 2.916 N/A THR 193.A N SER 189.A O no hydrogen 2.958 N/A THR 193.A OG1.A SER 189.A O no hydrogen 3.256 N/A THR 193.A OG1.B SER 189.A O no hydrogen 2.835 N/A THR 193.A OG1.B LEU 190.A O no hydrogen 3.133 N/A THR 194.A N LEU 190.A O no hydrogen 2.897 N/A THR 194.A OG1 LEU 190.A O no hydrogen 2.709 N/A PHE 195.A N ALA 191.A O no hydrogen 2.942 N/A ASP 196.A N LYS 192.A O no hydrogen 2.898 N/A GLU 197.A N THR 193.A O no hydrogen 2.947 N/A ALA 198.A N THR 194.A O no hydrogen 3.065 N/A MET 199.A N PHE 195.A O no hydrogen 2.908 N/A ALA 200.A N ASP 196.A O no hydrogen 3.209 N/A ASP 201.A N ALA 198.A O no hydrogen 2.942 N/A LEU 202.A N MET 199.A O no hydrogen 3.254 N/A THR 204.A N ASP 201.A O no hydrogen 3.098 N/A THR 204.A OG1 ASP 201.A O no hydrogen 2.773 N/A THR 204.A OG1 ASP 201.A OD1 no hydrogen 3.569 N/A LEU 205.A N LEU 202.A O no hydrogen 3.074 N/A SER 206.A OG SER 209.A OG no hydrogen 3.341 N/A SER 209.A N SER 206.A OG no hydrogen 3.263 N/A SER 209.A OG SER 206.A OG no hydrogen 3.341 N/A TYR 210.A N SER 206.A O no hydrogen 2.772 N/A LYS 211.A N GLU 207.A O no hydrogen 3.102 N/A ASP 212.A N ASP 208.A O no hydrogen 3.151 N/A SER 213.A N SER 209.A O no hydrogen 2.902 N/A SER 213.A OG THR 162.A O no hydrogen 2.603 N/A SER 213.A OG SER 209.A O no hydrogen 3.344 N/A THR 214.A N TYR 210.A O no hydrogen 2.892 N/A THR 214.A OG1 TYR 210.A O no hydrogen 2.824 N/A THR 214.A OG1 LYS 211.A O no hydrogen 3.253 N/A LEU 215.A N LYS 211.A O no hydrogen 3.121 N/A MET 217.A N SER 213.A O no hydrogen 2.999 N/A GLN 218.A N THR 214.A O no hydrogen 2.950 N/A GLN 218.A NE2 ASP 222.A OD1 no hydrogen 2.771 N/A LEU 220.A N ILE 216.A O no hydrogen 3.157 N/A ARG 221.A N MET 217.A O no hydrogen 2.906 N/A ASP 222.A N GLN 218.A O no hydrogen 2.781 N/A ASN 223.A N LEU 219.A O no hydrogen 3.059 N/A LEU 224.A N LEU 220.A O no hydrogen 2.952 N/A THR 225.A N ARG 221.A O no hydrogen 2.903 N/A THR 225.A OG1 ARG 221.A O no hydrogen 2.963 N/A LEU 226.A N ASP 222.A O no hydrogen 3.206 N/A TRP 227.A N ASN 223.A O no hydrogen 2.892 N/A TRP 227.A N LEU 224.A O no hydrogen 3.064 N/A THR 228.A N LEU 224.A O no hydrogen 2.798 N/A THR 228.A OG1 LEU 224.A O no hydrogen 2.715 N/A