Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bvk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 7.A N ASN 70.A O no hydrogen 2.835 N/A ILE 12.A N SER 9.A OG no hydrogen 3.395 N/A ILE 13.A N SER 9.A O no hydrogen 2.922 N/A LYS 14.A N LYS 10.A O no hydrogen 3.006 N/A LYS 14.A NZ GLU 18.A OE1 no hydrogen 2.960 N/A LYS 14.A NZ GLU 18.A OE2 no hydrogen 3.307 N/A LEU 15.A N ASP 11.A O no hydrogen 3.041 N/A LEU 16.A N ILE 12.A O no hydrogen 2.951 N/A ASN 17.A N ILE 13.A O no hydrogen 2.959 N/A ASN 17.A ND2 ILE 13.A O no hydrogen 3.425 N/A ASN 17.A ND2 PRO 73.A O no hydrogen 3.356 N/A GLU 18.A N LYS 14.A O no hydrogen 2.931 N/A GLN 19.A N LEU 15.A O no hydrogen 2.959 N/A GLN 19.A NE2 SER 106.A OG no hydrogen 3.014 N/A GLN 19.A NE2 TYR 129.A OH no hydrogen 2.958 N/A VAL 20.A N LEU 16.A O no hydrogen 2.942 N/A ASN 21.A N.A ASN 17.A O no hydrogen 3.156 N/A ASN 21.A N.B ASN 17.A O no hydrogen 3.176 N/A ASN 21.A ND2.B ASN 17.A O no hydrogen 2.781 N/A ASN 21.A ND2.B GLN 75.A O no hydrogen 3.006 N/A LYS 22.A N GLU 18.A O no hydrogen 2.855 N/A GLU 23.A N GLN 19.A O no hydrogen 2.950 N/A MET 24.A N VAL 20.A O no hydrogen 3.079 N/A ASN 25.A N ASN 21.A O.A no hydrogen 2.864 N/A ASN 25.A N ASN 21.A O.B no hydrogen 2.923 N/A ASN 25.A ND2 ASN 21.A OD1.A no hydrogen 3.070 N/A SER 26.A N.A LYS 22.A O no hydrogen 2.905 N/A SER 26.A N.B LYS 22.A O no hydrogen 2.902 N/A SER 26.A OG.A LYS 22.A O no hydrogen 2.782 N/A SER 26.A OG.A HIS 99.A NE2 no hydrogen 2.832 N/A SER 26.A OG.B HIS 99.A NE2 no hydrogen 2.814 N/A SER 27.A N GLU 23.A O no hydrogen 2.859 N/A SER 27.A OG ALA 53.A O no hydrogen 2.737 N/A ASN 28.A N MET 24.A O no hydrogen 3.210 N/A LEU 29.A N ASN 25.A O no hydrogen 3.034 N/A TYR 30.A N SER 26.A O.A no hydrogen 2.916 N/A TYR 30.A N SER 26.A O.B no hydrogen 2.927 N/A TYR 30.A OH ALA 96.A O no hydrogen 3.426 N/A TYR 30.A OH GLU 100.A OE1 no hydrogen 2.613 N/A MET 31.A N SER 27.A O no hydrogen 2.998 N/A SER 32.A N ASN 28.A O no hydrogen 3.030 N/A SER 32.A OG GLU 83.A O no hydrogen 2.554 N/A MET 33.A N LEU 29.A O no hydrogen 2.907 N/A SER 34.A N TYR 30.A O no hydrogen 2.824 N/A SER 34.A OG GLY 46.A O no hydrogen 2.660 N/A SER 35.A N MET 31.A O no hydrogen 2.958 N/A TRP 36.A N SER 32.A O no hydrogen 3.040 N/A CYS 37.A N MET 33.A O no hydrogen 3.090 N/A CYS 37.A SG MET 33.A O no hydrogen 3.526 N/A TYR 38.A N SER 34.A O no hydrogen 2.921 N/A THR 39.A N SER 35.A O no hydrogen 2.951 N/A THR 39.A OG1 SER 35.A O no hydrogen 2.965 N/A THR 39.A OG1 TRP 36.A O no hydrogen 3.118 N/A HIS 40.A N CYS 37.A O no hydrogen 3.091 N/A LEU 42.A N CYS 37.A O no hydrogen 2.811 N/A GLY 44.A N ASP 161.A OD2 no hydrogen 2.900 N/A ALA 45.A N ASP 161.A OD1 no hydrogen 2.750 N/A GLY 46.A N LEU 42.A O no hydrogen 2.883 N/A LEU 47.A N ASP 43.A O no hydrogen 2.884 N/A PHE 48.A N GLY 44.A O no hydrogen 3.041 N/A LEU 49.A N ALA 45.A O no hydrogen 2.891 N/A PHE 50.A N GLY 46.A O no hydrogen 2.971 N/A ASP 51.A N LEU 47.A O no hydrogen 2.937 N/A HIS 52.A N PHE 48.A O no hydrogen 2.956 N/A HIS 52.A NE2 GLU 100.A OE1 no hydrogen 2.929 N/A ALA 53.A N LEU 49.A O no hydrogen 2.856 N/A ALA 54.A N PHE 50.A O no hydrogen 2.989 N/A GLU 55.A N ASP 51.A O no hydrogen 3.049 N/A GLU 56.A N HIS 52.A O no hydrogen 2.979 N/A TYR 57.A N ALA 53.A O no hydrogen 3.227 N/A GLU 58.A N ALA 54.A O no hydrogen 3.095 N/A HIS 59.A N GLU 55.A O no hydrogen 3.043 N/A HIS 59.A NE2 GLU 132.A OE2 no hydrogen 3.125 N/A ALA 60.A N GLU 56.A O no hydrogen 3.096 N/A LYS 61.A N TYR 57.A O no hydrogen 2.939 N/A LYS 61.A NZ GLU 58.A OE1 no hydrogen 2.842 N/A LYS 61.A NZ GLU 58.A OE2 no hydrogen 3.386 N/A LYS 62.A N GLU 58.A O no hydrogen 3.054 N/A LEU 63.A N HIS 59.A O no hydrogen 3.065 N/A ILE 64.A N ALA 60.A O no hydrogen 2.958 N/A ILE 65.A N LYS 61.A O no hydrogen 2.919 N/A PHE 66.A N LYS 62.A O no hydrogen 3.237 N/A LEU 67.A N LEU 63.A O no hydrogen 2.995 N/A ASN 68.A N ILE 64.A O no hydrogen 2.841 N/A GLU 69.A N ILE 65.A O no hydrogen 2.950 N/A ASN 70.A N PHE 66.A O no hydrogen 3.203 N/A ASN 70.A N LEU 67.A O no hydrogen 3.153 N/A ASN 71.A N ASN 68.A O no hydrogen 3.082 N/A ASN 71.A ND2 GLN 4.A O no hydrogen 3.015 N/A VAL 72.A N LEU 67.A O no hydrogen 2.943 N/A GLN 75.A N ASN 17.A OD1 no hydrogen 2.913 N/A THR 77.A N.A ASN 21.A OD1.B no hydrogen 3.029 N/A THR 77.A N.B ASN 21.A OD1.B no hydrogen 3.107 N/A THR 77.A OG1.A ASN 21.A OD1.B no hydrogen 2.820 N/A THR 77.A OG1.A SER 78.A O.A no hydrogen 3.384 N/A THR 77.A OG1.A SER 78.A O.B no hydrogen 2.924 N/A SER 78.A N.A THR 77.A OG1.B no hydrogen 2.731 N/A SER 80.A N ASN 25.A OD1 no hydrogen 2.726 N/A SER 80.A OG ASN 25.A OD1 no hydrogen 3.115 N/A HIS 84.A N GLU 83.A OE1 no hydrogen 2.969 N/A LYS 85.A N GLU 83.A OE1 no hydrogen 2.961 N/A GLU 87.A N GLN 91.A OE1 no hydrogen 2.796 N/A ILE 92.A N GLY 88.A O no hydrogen 3.028 N/A PHE 93.A N LEU 89.A O no hydrogen 3.096 N/A GLN 94.A N.A THR 90.A O no hydrogen 2.891 N/A GLN 94.A N.B THR 90.A O no hydrogen 2.875 N/A LYS 95.A N.A GLN 91.A O no hydrogen 2.896 N/A LYS 95.A N.B GLN 91.A O no hydrogen 2.891 N/A ALA 96.A N ILE 92.A O no hydrogen 2.814 N/A TYR 97.A N PHE 93.A O no hydrogen 2.950 N/A GLU 98.A N GLN 94.A O.A no hydrogen 3.046 N/A GLU 98.A N GLN 94.A O.B no hydrogen 3.177 N/A HIS 99.A N LYS 95.A O.A no hydrogen 2.946 N/A HIS 99.A N LYS 95.A O.B no hydrogen 2.856 N/A HIS 99.A NE2 SER 26.A OG.A no hydrogen 2.832 N/A HIS 99.A NE2 SER 26.A OG.B no hydrogen 2.814 N/A GLU 100.A N ALA 96.A O no hydrogen 2.834 N/A GLN 101.A N TYR 97.A O no hydrogen 2.950 N/A HIS 102.A N.A GLU 98.A O no hydrogen 3.112 N/A HIS 102.A N.B GLU 98.A O no hydrogen 3.091 N/A ILE 103.A N HIS 99.A O no hydrogen 2.980 N/A SER 104.A N GLU 100.A O no hydrogen 2.914 N/A SER 104.A OG GLU 100.A O no hydrogen 3.182 N/A SER 104.A OG GLU 137.A OE1 no hydrogen 2.683 N/A GLU 105.A N GLN 101.A O no hydrogen 3.056 N/A SER 106.A N HIS 102.A O.A no hydrogen 3.062 N/A SER 106.A N HIS 102.A O.B no hydrogen 2.956 N/A SER 106.A OG GLN 19.A OE1 no hydrogen 3.380 N/A SER 106.A OG ILE 103.A O no hydrogen 2.542 N/A ILE 107.A N ILE 103.A O no hydrogen 3.045 N/A ASN 108.A N SER 104.A O no hydrogen 2.984 N/A ASN 109.A N GLU 105.A O no hydrogen 3.011 N/A ILE 110.A N SER 106.A O no hydrogen 3.248 N/A VAL 111.A N ILE 107.A O no hydrogen 3.001 N/A ASP 112.A N ASN 108.A O no hydrogen 2.914 N/A HIS 113.A N.A ASN 109.A O no hydrogen 3.010 N/A HIS 113.A N.B ASN 109.A O no hydrogen 3.002 N/A HIS 113.A ND1.B ASN 109.A O no hydrogen 2.923 N/A ALA 114.A N ILE 110.A O no hydrogen 2.902 N/A ILE 115.A N VAL 111.A O no hydrogen 3.044 N/A LYS 116.A N ASP 112.A O no hydrogen 3.018 N/A LYS 116.A NZ ASP 112.A OD2 no hydrogen 3.200 N/A SER 117.A N HIS 113.A O.A no hydrogen 2.935 N/A SER 117.A N HIS 113.A O.B no hydrogen 3.051 N/A SER 117.A OG HIS 113.A O.A no hydrogen 2.928 N/A SER 117.A OG HIS 113.A O.B no hydrogen 2.862 N/A SER 117.A OG ALA 114.A O no hydrogen 3.372 N/A LYS 118.A N ILE 115.A O no hydrogen 3.104 N/A ASP 119.A N ALA 114.A O no hydrogen 2.844 N/A THR 122.A N ASP 119.A OD1 no hydrogen 3.178 N/A THR 122.A OG1 ASP 119.A OD1 no hydrogen 3.245 N/A THR 122.A OG1 ASP 119.A OD2 no hydrogen 2.703 N/A PHE 123.A N ASP 119.A O no hydrogen 3.104 N/A ASN 124.A N HIS 120.A O no hydrogen 2.880 N/A PHE 125.A N ALA 121.A O no hydrogen 2.930 N/A LEU 126.A N THR 122.A O no hydrogen 2.993 N/A GLN 127.A N ASN 124.A O no hydrogen 3.312 N/A GLN 127.A NE2 PHE 123.A O no hydrogen 2.997 N/A TYR 129.A N LEU 126.A O no hydrogen 2.974 N/A TYR 129.A OH GLU 23.A OE2 no hydrogen 2.502 N/A VAL 130.A N LEU 126.A O no hydrogen 2.897 N/A ALA 131.A N GLN 127.A O no hydrogen 2.995 N/A GLU 132.A N TRP 128.A O no hydrogen 2.910 N/A GLN 133.A N TYR 129.A O no hydrogen 2.902 N/A GLN 133.A NE2 GLU 100.A OE2 no hydrogen 2.931 N/A GLN 133.A NE2 SER 104.A OG no hydrogen 3.077 N/A HIS 134.A N VAL 130.A O no hydrogen 3.027 N/A GLU 135.A N.A ALA 131.A O no hydrogen 3.159 N/A GLU 135.A N.B ALA 131.A O no hydrogen 3.158 N/A GLU 136.A N GLU 132.A O no hydrogen 2.986 N/A GLU 137.A N GLN 133.A O no hydrogen 2.829 N/A VAL 138.A N HIS 134.A O no hydrogen 2.960 N/A LEU 139.A N GLU 135.A O.A no hydrogen 2.959 N/A LEU 139.A N GLU 135.A O.B no hydrogen 2.974 N/A PHE 140.A N GLU 136.A O no hydrogen 3.025 N/A LYS 141.A N GLU 137.A O no hydrogen 3.011 N/A LYS 141.A NZ ASP 142.A OD1 no hydrogen 2.754 N/A ASP 142.A N VAL 138.A O no hydrogen 2.869 N/A ILE 143.A N LEU 139.A O no hydrogen 2.925 N/A LEU 144.A N PHE 140.A O no hydrogen 2.943 N/A ASP 145.A N LYS 141.A O no hydrogen 2.887 N/A LYS 146.A N ASP 142.A O no hydrogen 3.013 N/A ILE 147.A N ILE 143.A O no hydrogen 2.878 N/A GLU 148.A N LEU 144.A O no hydrogen 2.962 N/A LEU 149.A N ASP 145.A O no hydrogen 2.925 N/A ILE 150.A N LYS 146.A O no hydrogen 2.928 N/A GLY 151.A N ILE 147.A O no hydrogen 2.912 N/A GLU 153.A N GLU 153.A OE2 no hydrogen 2.774 N/A GLY 156.A N GLU 153.A O no hydrogen 2.829 N/A LEU 159.A N HIS 155.A O no hydrogen 3.000 N/A ALA 160.A N GLY 156.A O no hydrogen 2.913 N/A ASP 161.A N LEU 157.A O no hydrogen 2.865 N/A GLN 162.A N TYR 158.A O no hydrogen 2.934 N/A TYR 163.A N LEU 159.A O no hydrogen 2.985 N/A VAL 164.A N ALA 160.A O no hydrogen 2.974 N/A LYS 165.A N ASP 161.A O no hydrogen 2.862 N/A LYS 165.A NZ ASP 43.A OD1 no hydrogen 3.011 N/A LYS 165.A NZ ASP 43.A OD2 no hydrogen 3.214 N/A GLY 166.A N GLN 162.A O no hydrogen 3.055 N/A ILE 167.A N TYR 163.A O no hydrogen 3.245 N/A ALA 168.A N VAL 164.A O no hydrogen 2.930 N/A LYS 169.A N.A LYS 165.A O no hydrogen 2.999 N/A LYS 169.A N.B LYS 165.A O no hydrogen 2.999 N/A SER 170.A N GLY 166.A O no hydrogen 3.039 N/A SER 170.A OG GLY 166.A O no hydrogen 3.457 N/A SER 170.A OG ILE 167.A O no hydrogen 2.848 N/A ARG 171.A N ILE 167.A O no hydrogen 3.126 N/A ARG 171.A NH1 GLU 135.A OE2.A no hydrogen 2.734 N/A ARG 171.A NH1 GLU 135.A OE2.B no hydrogen 3.535 N/A ARG 171.A NH2 GLU 135.A OE1.A no hydrogen 2.704 N/A ARG 171.A NH2 GLU 135.A OE2.B no hydrogen 3.479 N/A LYS 172.A N LYS 169.A O.B no hydrogen 3.435 N/A LYS 172.A NZ ASP 51.A OD1 no hydrogen 3.536 N/A LYS 172.A NZ ASP 51.A OD2 no hydrogen 2.828 N/A