Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k21_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N LEU 1.A O no hydrogen 2.883 N/A ILE 6.A N TYR 2.A O no hydrogen 2.884 N/A HIS 7.A N.A PHE 3.A O no hydrogen 3.473 N/A HIS 7.A N.B PHE 3.A O no hydrogen 3.420 N/A VAL 8.A N GLN 4.A O no hydrogen 3.034 N/A LEU 9.A N GLY 5.A O no hydrogen 2.892 N/A GLU 10.A N ILE 6.A O no hydrogen 2.968 N/A ASN 11.A N HIS 7.A O.A no hydrogen 2.992 N/A ASN 11.A N HIS 7.A O.B no hydrogen 3.000 N/A ASN 11.A ND2 HIS 7.A NE2.B no hydrogen 3.155 N/A PHE 12.A N VAL 8.A O no hydrogen 2.877 N/A LYS 13.A N LEU 9.A O no hydrogen 2.963 N/A LYS 13.A NZ GLU 10.A OE1 no hydrogen 3.213 N/A ASN 14.A N GLU 10.A O no hydrogen 3.006 N/A TYR 15.A N ASN 11.A O no hydrogen 2.945 N/A GLY 16.A N PHE 12.A O no hydrogen 3.089 N/A LEU 17.A N LYS 13.A O no hydrogen 2.958 N/A LEU 18.A N ASN 14.A O no hydrogen 2.900 N/A LEU 19.A N TYR 15.A O no hydrogen 3.282 N/A LYS 20.A N GLY 16.A O no hydrogen 3.025 N/A LYS 20.A NZ.A LEU 135.A O no hydrogen 3.207 N/A PHE 21.A N LEU 17.A O no hydrogen 2.835 N/A GLN 22.A N LEU 18.A O no hydrogen 3.141 N/A GLN 22.A NE2 LEU 18.A O no hydrogen 3.207 N/A LYS 23.A N.A LEU 19.A O no hydrogen 2.967 N/A LYS 23.A N.B LEU 19.A O no hydrogen 2.956 N/A LYS 23.A NZ.A SER 85.A OG no hydrogen 2.753 N/A LYS 23.A NZ.A GLU 95.A OE2 no hydrogen 3.511 N/A LYS 23.A NZ.B ASP 92.A OD2 no hydrogen 3.458 N/A LEU 24.A N LYS 20.A O no hydrogen 2.885 N/A ALA 25.A N PHE 21.A O no hydrogen 2.938 N/A MET 26.A N.A GLN 22.A O no hydrogen 3.029 N/A MET 26.A N.B GLN 22.A O no hydrogen 3.024 N/A THR 27.A N LYS 23.A O.A no hydrogen 2.930 N/A THR 27.A N LYS 23.A O.B no hydrogen 2.959 N/A THR 27.A OG1 LYS 23.A O.A no hydrogen 2.964 N/A THR 27.A OG1 LYS 23.A O.B no hydrogen 3.013 N/A THR 27.A OG1 THR 94.A OG1.A no hydrogen 2.803 N/A ILE 28.A N LEU 24.A O no hydrogen 2.889 N/A ILE 29.A N ALA 25.A O no hydrogen 2.986 N/A ALA 30.A N MET 26.A O.A no hydrogen 2.940 N/A ALA 30.A N MET 26.A O.B no hydrogen 2.932 N/A GLN 31.A N THR 27.A O no hydrogen 2.904 N/A GLN 31.A NE2 TYR 93.A OH no hydrogen 2.839 N/A GLN 32.A N ILE 28.A O no hydrogen 2.796 N/A SER 33.A N ILE 29.A O no hydrogen 2.980 N/A SER 33.A OG ILE 29.A O no hydrogen 2.895 N/A ASP 35.A N SER 33.A OG no hydrogen 3.253 N/A VAL 38.A N ASP 35.A OD2 no hydrogen 2.998 N/A GLU 39.A N ASP 35.A O no hydrogen 2.807 N/A LYS 40.A N TYR 36.A O no hydrogen 2.856 N/A LEU 41.A N ASP 37.A O no hydrogen 3.136 N/A LYS 42.A N VAL 38.A O no hydrogen 3.005 N/A LYS 42.A NZ ALA 30.A O no hydrogen 2.966 N/A LYS 42.A NZ GLU 39.A OE2.B no hydrogen 3.483 N/A SER 43.A N GLU 39.A O no hydrogen 2.991 N/A THR 44.A N LYS 40.A O no hydrogen 3.078 N/A THR 44.A OG1 LYS 40.A O no hydrogen 3.328 N/A PHE 45.A N LEU 41.A O no hydrogen 3.031 N/A LEU 46.A N LYS 42.A O no hydrogen 3.039 N/A VAL 47.A N SER 43.A O no hydrogen 3.159 N/A LEU 48.A N THR 44.A O no hydrogen 2.975 N/A ASP 49.A N PHE 45.A O no hydrogen 2.875 N/A GLY 52.A N ASP 49.A O no hydrogen 3.141 N/A LYS 53.A N ASP 49.A OD1 no hydrogen 2.944 N/A GLY 54.A N ASP 49.A OD2 no hydrogen 2.787 N/A ILE 56.A N ILE 91.A O no hydrogen 2.816 N/A THR 57.A N GLN 60.A OE1 no hydrogen 2.952 N/A THR 57.A OG1 GLN 60.A OE1 no hydrogen 3.478 N/A LYS 58.A NZ ASP 81.A OD1 no hydrogen 2.511 N/A GLN 60.A N THR 57.A OG1 no hydrogen 2.953 N/A GLN 60.A NE2 GLU 50.A OE1.B no hydrogen 3.255 N/A LEU 61.A N THR 57.A O no hydrogen 2.991 N/A LYS 62.A N LYS 58.A O no hydrogen 2.959 N/A LYS 62.A NZ.A ASP 77.A OD1 no hydrogen 2.745 N/A LYS 63.A N GLU 59.A O no hydrogen 2.858 N/A LYS 63.A NZ GLU 59.A OE1.A no hydrogen 3.208 N/A GLY 64.A N GLN 60.A O no hydrogen 2.897 N/A LEU 65.A N LEU 61.A O no hydrogen 3.036 N/A GLU 66.A N LYS 62.A O no hydrogen 2.940 N/A LYS 67.A N LYS 63.A O no hydrogen 2.884 N/A LYS 67.A NZ.A GLU 50.A OE1.A no hydrogen 2.603 N/A LYS 67.A NZ.B LYS 63.A O no hydrogen 2.931 N/A ASP 68.A N GLY 64.A O no hydrogen 3.276 N/A ASP 68.A N LEU 65.A O no hydrogen 3.094 N/A GLY 69.A N GLU 66.A O no hydrogen 2.956 N/A LEU 70.A N LEU 65.A O no hydrogen 3.398 N/A PHE 76.A N PRO 73.A O no hydrogen 2.978 N/A LEU 79.A N ASN 75.A O.A no hydrogen 3.304 N/A LEU 79.A N ASN 75.A O.B no hydrogen 3.320 N/A LEU 80.A N.A PHE 76.A O no hydrogen 2.835 N/A LEU 80.A N.B PHE 76.A O no hydrogen 2.860 N/A ASP 81.A N ASP 77.A O no hydrogen 3.058 N/A GLN 82.A N LEU 78.A O no hydrogen 3.036 N/A ILE 83.A N LEU 79.A O no hydrogen 2.871 N/A ASP 84.A N LEU 80.A O.A no hydrogen 2.918 N/A ASP 84.A N LEU 80.A O.B no hydrogen 2.850 N/A ASP 86.A N GLU 95.A OE2 no hydrogen 3.130 N/A GLY 87.A N ASP 84.A O no hydrogen 2.964 N/A SER 88.A N ASP 84.A OD1 no hydrogen 3.179 N/A SER 88.A N ASP 86.A OD1 no hydrogen 2.913 N/A SER 88.A OG ASP 84.A OD1 no hydrogen 3.427 N/A SER 88.A OG ASP 86.A OD1 no hydrogen 3.167 N/A GLY 89.A N ASP 84.A OD2 no hydrogen 2.730 N/A LYS 90.A N SER 88.A OG no hydrogen 3.332 N/A ILE 91.A N ILE 56.A O no hydrogen 2.819 N/A ASP 92.A N GLU 95.A OE1 no hydrogen 3.007 N/A TYR 93.A N GLY 54.A O no hydrogen 3.116 N/A THR 94.A OG1.A THR 27.A OG1 no hydrogen 2.803 N/A THR 94.A OG1.B ASP 92.A OD1 no hydrogen 2.394 N/A THR 94.A OG1.B ASP 92.A OD2 no hydrogen 3.313 N/A GLU 95.A N ASP 92.A OD1 no hydrogen 2.720 N/A PHE 96.A N ASP 92.A O no hydrogen 2.898 N/A ILE 97.A N TYR 93.A O no hydrogen 3.010 N/A ALA 98.A N THR 94.A O no hydrogen 2.900 N/A ALA 99.A N GLU 95.A O no hydrogen 3.024 N/A ALA 99.A N PHE 96.A O no hydrogen 3.307 N/A ALA 100.A N PHE 96.A O no hydrogen 2.814 N/A LEU 101.A N.A ILE 97.A O no hydrogen 2.937 N/A LEU 101.A N.B ILE 97.A O no hydrogen 3.081 N/A ARG 103.A NH1 GLN 22.A OE1 no hydrogen 3.026 N/A ARG 103.A NH1 MET 176.A O no hydrogen 2.882 N/A ARG 103.A NH2 GLN 22.A OE1 no hydrogen 3.396 N/A LYS 104.A N ASP 102.A OD1.B no hydrogen 3.077 N/A GLN 105.A N ASP 102.A O.A no hydrogen 3.025 N/A GLN 105.A N ASP 102.A O.B no hydrogen 2.607 N/A LEU 106.A N ARG 103.A O no hydrogen 2.972 N/A LYS 109.A NZ.A SER 33.A O no hydrogen 3.429 N/A LEU 110.A N.A SER 107.A OG no hydrogen 3.136 N/A LEU 110.A N.B SER 107.A OG no hydrogen 3.148 N/A ILE 111.A N SER 107.A O no hydrogen 2.958 N/A TYR 112.A N LYS 108.A O no hydrogen 2.871 N/A CYS 113.A N.A LYS 109.A O no hydrogen 3.040 N/A CYS 113.A N.B LYS 109.A O no hydrogen 3.025 N/A CYS 113.A SG.B LYS 109.A O no hydrogen 3.745 N/A PHE 115.A N ILE 111.A O no hydrogen 2.934 N/A ARG 116.A N TYR 112.A O no hydrogen 2.932 N/A VAL 117.A N ALA 114.A O no hydrogen 3.062 N/A PHE 118.A N ALA 114.A O no hydrogen 3.399 N/A ASP 119.A N PHE 115.A O no hydrogen 2.906 N/A ASP 121.A N GLU 130.A OE2 no hydrogen 2.943 N/A ASN 122.A N ASP 119.A O no hydrogen 2.934 N/A ASP 123.A N ASP 121.A OD1 no hydrogen 3.134 N/A GLY 124.A N ASP 119.A OD2 no hydrogen 2.750 N/A GLU 125.A N ASP 123.A OD1 no hydrogen 3.041 N/A ILE 126.A N ILE 167.A O no hydrogen 2.784 N/A THR 127.A N GLU 130.A OE1 no hydrogen 2.985 N/A THR 127.A OG1 GLU 130.A OE1 no hydrogen 3.416 N/A THR 128.A OG1.C VAL 149.A O no hydrogen 3.086 N/A GLU 130.A N THR 127.A OG1 no hydrogen 3.248 N/A LEU 131.A N THR 127.A O no hydrogen 2.979 N/A ALA 132.A N THR 128.A O no hydrogen 2.885 N/A HIS 133.A N.A ALA 129.A O no hydrogen 3.016 N/A HIS 133.A N.B ALA 129.A O no hydrogen 2.994 N/A HIS 133.A ND1.A ASN 137.A OD1 no hydrogen 2.572 N/A HIS 133.A ND1.B LYS 140.A O no hydrogen 2.758 N/A ILE 134.A N GLU 130.A O no hydrogen 3.043 N/A LEU 135.A N LEU 131.A O no hydrogen 2.904 N/A TYR 136.A N ALA 132.A O no hydrogen 2.839 N/A ASN 137.A N HIS 133.A O.A no hydrogen 2.828 N/A ASN 137.A N HIS 133.A O.B no hydrogen 2.855 N/A ASN 137.A ND2 ASN 143.A O no hydrogen 3.036 N/A GLY 138.A N ILE 134.A O no hydrogen 3.171 N/A ASN 139.A ND2 ASN 137.A O no hydrogen 3.045 N/A LYS 141.A N ASN 139.A OD1 no hydrogen 2.963 N/A THR 145.A N ASP 148.A OD2 no hydrogen 3.064 N/A GLN 146.A NE2 ASN 150.A OD1 no hydrogen 2.974 N/A ASP 148.A N THR 145.A OG1 no hydrogen 3.089 N/A VAL 149.A N THR 145.A O no hydrogen 2.990 N/A ASN 150.A N GLN 146.A O no hydrogen 2.872 N/A ARG 151.A N ARG 147.A O.A no hydrogen 2.983 N/A ARG 151.A N ARG 147.A O.B no hydrogen 3.027 N/A ARG 151.A NH2 TYR 136.A OH no hydrogen 3.044 N/A ARG 151.A NH2 ASP 148.A OD1 no hydrogen 2.835 N/A VAL 152.A N ASP 148.A O no hydrogen 3.027 N/A LYS 153.A N VAL 149.A O no hydrogen 2.804 N/A ARG 154.A N ASN 150.A O no hydrogen 3.015 N/A ARG 154.A NH1.B ASN 11.A OD1 no hydrogen 2.984 N/A ARG 154.A NH1.B ASN 14.A OD1.B no hydrogen 2.997 N/A ARG 154.A NH2.B ASN 11.A OD1 no hydrogen 2.859 N/A MET 155.A N.A ARG 151.A O no hydrogen 3.253 N/A MET 155.A N.B ARG 151.A O no hydrogen 3.190 N/A ILE 156.A N VAL 152.A O no hydrogen 2.875 N/A ARG 157.A N.A LYS 153.A O no hydrogen 3.014 N/A ARG 157.A N.B LYS 153.A O no hydrogen 3.030 N/A ASP 158.A N MET 155.A O.A no hydrogen 2.934 N/A ASP 158.A N MET 155.A O.B no hydrogen 2.868 N/A VAL 159.A N ILE 156.A O no hydrogen 2.930 N/A ASP 160.A N ILE 156.A O no hydrogen 2.847 N/A LYS 161.A N.A GLU 171.A OE2 no hydrogen 2.893 N/A LYS 161.A N.B GLU 171.A OE2 no hydrogen 2.929 N/A LYS 161.A NZ.A GLU 174.A OE1 no hydrogen 2.673 N/A ASN 162.A N ASP 160.A OD1 no hydrogen 3.435 N/A GLY 165.A N ASP 160.A OD2 no hydrogen 2.755 N/A LYS 166.A N ASP 164.A OD1 no hydrogen 3.059 N/A LYS 166.A NZ GLU 125.A OE1.B no hydrogen 3.482 N/A ILE 167.A N ILE 126.A O no hydrogen 2.920 N/A ASP 168.A N GLU 171.A OE1 no hydrogen 2.892 N/A GLU 171.A N ASP 168.A OD1 no hydrogen 2.926 N/A PHE 172.A N ASP 168.A O no hydrogen 2.893 N/A SER 173.A N PHE 169.A O no hydrogen 2.845 N/A SER 173.A OG.B PHE 169.A O no hydrogen 2.919 N/A GLU 174.A N HIS 170.A O no hydrogen 2.980 N/A MET 175.A N GLU 171.A O no hydrogen 3.158 N/A MET 176.A N PHE 172.A O no hydrogen 3.028 N/A LYS 177.A N SER 173.A O no hydrogen 2.927 N/A LYS 177.A NZ ARG 103.A O no hydrogen 3.041 N/A LYS 177.A NZ LEU 106.A O no hydrogen 2.935 N/A