Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bby_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASP 45.A OD1 no hydrogen 3.044 N/A THR 5.A N GLN 43.A O no hydrogen 2.796 N/A LEU 6.A N HIS 32.A O no hydrogen 2.873 N/A TRP 7.A N LEU 41.A O no hydrogen 2.915 N/A TRP 7.A NE1 GLN 43.A OE1 no hydrogen 2.827 N/A SER 8.A N LYS 34.A O no hydrogen 2.815 N/A SER 8.A OG ASP 9.A O no hydrogen 2.841 N/A SER 8.A OG ASP 9.A OD1 no hydrogen 3.378 N/A PHE 12.A N ASP 9.A O no hydrogen 3.092 N/A PHE 13.A N ASP 9.A OD2 no hydrogen 2.959 N/A SER 14.A N ASP 9.A OD1 no hydrogen 2.963 N/A TYR 16.A N SER 14.A OG no hydrogen 3.055 N/A VAL 17.A N SER 14.A OG no hydrogen 3.009 N/A LEU 18.A N SER 14.A O no hydrogen 2.925 N/A SER 19.A N PRO 15.A O no hydrogen 3.052 N/A SER 19.A OG ASP 148.A OD1 no hydrogen 2.726 N/A SER 19.A OG ASP 148.A OD2 no hydrogen 3.476 N/A ALA 20.A N TYR 16.A O no hydrogen 3.086 N/A TRP 21.A N VAL 17.A O no hydrogen 2.825 N/A TRP 21.A NE1 SER 178.A O no hydrogen 2.920 N/A VAL 22.A N LEU 18.A O no hydrogen 2.813 N/A ALA 23.A N SER 19.A O no hydrogen 2.993 N/A LEU 24.A N ALA 20.A O no hydrogen 2.958 N/A GLN 25.A N TRP 21.A O no hydrogen 2.878 N/A GLU 26.A N VAL 22.A O no hydrogen 2.785 N/A LYS 27.A N ALA 23.A O no hydrogen 3.076 N/A LYS 27.A NZ GLU 60.A OE1 no hydrogen 2.776 N/A LYS 27.A NZ PHE 63.A O no hydrogen 2.698 N/A LYS 27.A NZ GLU 69.A O no hydrogen 2.677 N/A GLY 28.A N GLN 25.A O no hydrogen 2.898 N/A LEU 29.A N LEU 24.A O no hydrogen 3.037 N/A HIS 32.A N ILE 4.A O no hydrogen 2.974 N/A LYS 34.A N LEU 6.A O no hydrogen 2.896 N/A ILE 36.A N SER 8.A O no hydrogen 2.968 N/A LEU 42.A N LEU 49.A O no hydrogen 2.828 N/A GLN 43.A N THR 5.A O no hydrogen 2.748 N/A GLN 43.A NE2 GLU 48.A OE2 no hydrogen 2.949 N/A ILE 44.A N PHE 47.A O no hydrogen 2.950 N/A ASP 45.A N ALA 3.A O no hydrogen 2.889 N/A PHE 47.A N ILE 44.A O no hydrogen 2.980 N/A LEU 49.A N LEU 42.A O no hydrogen 2.971 N/A ILE 55.A N GLU 51.A O no hydrogen 2.911 N/A ALA 56.A N SER 52.A O no hydrogen 3.175 N/A GLU 57.A N SER 53.A O no hydrogen 2.956 N/A TYR 58.A N ALA 54.A O no hydrogen 2.946 N/A LEU 59.A N ILE 55.A O no hydrogen 3.066 N/A GLU 60.A N ALA 56.A O no hydrogen 2.942 N/A ASP 61.A N GLU 57.A O no hydrogen 2.927 N/A ARG 62.A N TYR 58.A O no hydrogen 2.778 N/A ARG 62.A NH1 TYR 58.A OH no hydrogen 2.950 N/A PHE 63.A N LEU 59.A O no hydrogen 2.835 N/A TRP 68.A N ALA 64.A O no hydrogen 3.282 N/A ARG 70.A NH1 TYR 72.A O no hydrogen 3.072 N/A ILE 71.A N GLU 60.A OE1 no hydrogen 2.996 N/A TYR 72.A N GLU 60.A OE2 no hydrogen 3.156 N/A TYR 72.A OH GLN 86.A OE1 no hydrogen 2.736 N/A GLU 77.A N ASP 75.A OD2 no hydrogen 3.008 N/A ASN 78.A N ASP 75.A OD2 no hydrogen 3.012 N/A ARG 79.A N ASP 75.A O no hydrogen 2.838 N/A ARG 79.A NE PRO 73.A O no hydrogen 2.913 N/A ARG 79.A NH2 PRO 73.A O no hydrogen 3.502 N/A ALA 80.A N LEU 76.A O no hydrogen 2.923 N/A ARG 81.A N GLU 77.A O no hydrogen 2.974 N/A ARG 81.A NH1 GLN 84.A OE1 no hydrogen 2.900 N/A ALA 82.A N ASN 78.A O no hydrogen 2.867 N/A ARG 83.A N ARG 79.A O no hydrogen 3.094 N/A ARG 83.A NE GLU 57.A OE1 no hydrogen 3.401 N/A ARG 83.A NE GLU 57.A OE2 no hydrogen 2.726 N/A ARG 83.A NH2 GLU 57.A OE1 no hydrogen 2.959 N/A GLN 84.A N ALA 80.A O no hydrogen 2.808 N/A ILE 85.A N ARG 81.A O no hydrogen 2.875 N/A GLN 86.A N ALA 82.A O no hydrogen 2.971 N/A GLN 86.A NE2 ASP 148.A OD2 no hydrogen 2.803 N/A ALA 87.A N ARG 83.A O no hydrogen 2.929 N/A TRP 88.A N GLN 84.A O no hydrogen 2.843 N/A TRP 88.A NE1 ASP 92.A OD2 no hydrogen 3.083 N/A LEU 89.A N ILE 85.A O no hydrogen 3.029 N/A ARG 90.A N GLN 86.A O no hydrogen 3.354 N/A ARG 90.A N ALA 87.A O no hydrogen 3.285 N/A ARG 90.A NE SER 52.A OG no hydrogen 3.406 N/A ARG 90.A NH1 GLN 86.A O no hydrogen 3.027 N/A ARG 90.A NH1 ASP 148.A OD2 no hydrogen 2.865 N/A ARG 90.A NH2 SER 19.A OG no hydrogen 3.405 N/A ARG 90.A NH2 SER 52.A OG no hydrogen 2.828 N/A ARG 90.A NH2 ASP 148.A OD2 no hydrogen 3.100 N/A SER 91.A N TRP 88.A O no hydrogen 3.139 N/A SER 91.A OG.B ALA 87.A O no hydrogen 2.893 N/A SER 91.A OG.B TRP 88.A O no hydrogen 3.529 N/A ASP 92.A N TRP 88.A O no hydrogen 2.849 N/A LEU 93.A N ASP 92.A OD1 no hydrogen 2.709 N/A ARG 96.A N LEU 93.A O no hydrogen 3.185 N/A ARG 96.A NE ASP 92.A O no hydrogen 3.274 N/A ARG 96.A NH2 ASP 92.A O no hydrogen 2.993 N/A GLU 98.A N PRO 94.A O no hydrogen 2.737 N/A ARG 99.A N ILE 95.A O no hydrogen 2.758 N/A ARG 99.A NE ASP 160.A OD2 no hydrogen 2.808 N/A ARG 99.A NH1 GLU 98.A O no hydrogen 3.003 N/A ARG 99.A NH1 ALA 111.A O no hydrogen 2.848 N/A ARG 99.A NH2 ALA 111.A O no hydrogen 3.025 N/A ARG 99.A NH2 ASP 160.A OD1 no hydrogen 2.972 N/A ARG 99.A NH2 ASP 160.A OD2 no hydrogen 3.563 N/A THR 101.A OG1 PHE 13.A O no hydrogen 2.592 N/A VAL 103.A N PRO 100.A O no hydrogen 2.931 N/A VAL 104.A N THR 101.A O no hydrogen 2.912 N/A PHE 105.A N THR 101.A O no hydrogen 2.864 N/A ALA 106.A N ASP 102.A O no hydrogen 2.929 N/A ALA 108.A N ASP 102.A O no hydrogen 3.112 N/A LYS 109.A NZ.B LYS 110.A O no hydrogen 3.515 N/A LYS 110.A N HIS 158.A NE2 no hydrogen 2.858 N/A LYS 110.A NZ ASP 102.A OD1 no hydrogen 3.498 N/A LYS 110.A NZ ASP 102.A OD2 no hydrogen 2.726 N/A THR 114.A N GLU 98.A OE1 no hydrogen 2.873 N/A THR 114.A OG1 GLU 98.A OE1 no hydrogen 3.392 N/A THR 114.A OG1 GLU 98.A OE2 no hydrogen 2.565 N/A GLY 117.A N THR 114.A OG1 no hydrogen 2.930 N/A LYS 118.A N THR 114.A O no hydrogen 2.970 N/A LYS 118.A NZ LEU 113.A O no hydrogen 3.134 N/A ALA 119.A N ALA 115.A O no hydrogen 3.150 N/A SER 120.A N GLU 116.A O no hydrogen 2.998 N/A ALA 121.A N GLY 117.A O no hydrogen 2.899 N/A GLU 122.A N LYS 118.A O no hydrogen 2.970 N/A LYS 123.A N ALA 119.A O no hydrogen 3.023 N/A LYS 123.A NZ ASP 92.A OD1 no hydrogen 3.058 N/A LYS 123.A NZ ASP 92.A OD2 no hydrogen 3.067 N/A LEU 124.A N SER 120.A O no hydrogen 2.968 N/A PHE 125.A N ALA 121.A O no hydrogen 2.950 N/A ALA 126.A N GLU 122.A O no hydrogen 2.995 N/A GLU 128.A N PHE 125.A O no hydrogen 2.929 N/A HIS 129.A N ALA 126.A O no hydrogen 3.147 N/A LEU 131.A N ALA 127.A O no hydrogen 2.843 N/A VAL 132.A N HIS 129.A O no hydrogen 3.267 N/A GLY 134.A N LEU 131.A O no hydrogen 2.774 N/A GLN 135.A N GLN 135.A OE1.A no hydrogen 2.629 N/A GLN 135.A NE2.A LEU 130.A O no hydrogen 3.423 N/A GLN 135.A NE2.A LEU 138.A O no hydrogen 2.811 N/A ASN 137.A ND2 GLY 140.A O no hydrogen 2.924 N/A LEU 138.A N ASP 146.A OD1 no hydrogen 2.808 N/A GLY 140.A N ASN 137.A O no hydrogen 3.081 N/A TRP 142.A NE1 THR 147.A OG1 no hydrogen 3.175 N/A CYS 143.A N ASP 146.A OD2 no hydrogen 3.008 N/A ILE 144.A N ILE 71.A O no hydrogen 2.843 N/A ASP 146.A N CYS 143.A O no hydrogen 2.938 N/A ASP 148.A N ILE 144.A O no hydrogen 3.317 N/A LEU 149.A N ALA 145.A O no hydrogen 2.932 N/A ALA 150.A N ASP 146.A O no hydrogen 2.927 N/A LEU 151.A N THR 147.A O no hydrogen 2.955 N/A ASN 153.A N ALA 150.A O no hydrogen 2.791 N/A ASN 153.A ND2 ALA 170.A O no hydrogen 3.288 N/A ARG 154.A N LEU 151.A O no hydrogen 3.086 N/A ARG 154.A NH1 ARG 99.A O no hydrogen 2.917 N/A LEU 155.A N ILE 152.A O no hydrogen 2.982 N/A VAL 156.A N ILE 152.A O no hydrogen 2.937 N/A LEU 157.A N ASN 153.A O no hydrogen 2.895 N/A HIS 158.A N LEU 155.A O no hydrogen 3.141 N/A GLY 159.A N VAL 156.A O no hydrogen 3.116 N/A ASP 160.A N LEU 155.A O no hydrogen 3.077 N/A ARG 165.A NH2 VAL 132.A O no hydrogen 3.196 N/A LEU 166.A N PRO 163.A O no hydrogen 3.055 N/A VAL 167.A N PRO 163.A O no hydrogen 3.048 N/A ASP 168.A N GLU 164.A O no hydrogen 2.974 N/A TYR 169.A N ARG 165.A O no hydrogen 2.988 N/A TYR 169.A OH ASP 146.A O no hydrogen 3.386 N/A TYR 169.A OH ASP 146.A OD1 no hydrogen 2.572 N/A ALA 170.A N LEU 166.A O no hydrogen 2.835 N/A THR 171.A N VAL 167.A O no hydrogen 2.883 N/A THR 171.A OG1 VAL 167.A O no hydrogen 2.564 N/A PHE 172.A N ASP 168.A O no hydrogen 2.944 N/A GLN 173.A N TYR 169.A O no hydrogen 2.933 N/A GLN 173.A NE2 PRO 136.A O no hydrogen 2.750 N/A GLN 173.A NE2 ASN 137.A OD1 no hydrogen 2.852 N/A TRP 174.A N ALA 170.A O no hydrogen 3.014 N/A TRP 174.A N THR 171.A O no hydrogen 3.157 N/A GLN 175.A N PHE 172.A O no hydrogen 3.051 N/A ARG 176.A N GLN 173.A O no hydrogen 3.175 N/A ARG 176.A NE GLU 26.A OE2 no hydrogen 2.838 N/A ARG 176.A NH2 GLU 26.A OE1 no hydrogen 2.993 N/A SER 178.A OG GLU 26.A OE2 no hydrogen 2.636 N/A GLN 180.A N ARG 176.A O no hydrogen 2.946 N/A GLN 180.A NE2 TRP 174.A O no hydrogen 2.641 N/A ARG 181.A N ALA 177.A O no hydrogen 2.872 N/A PHE 182.A N SER 178.A O no hydrogen 3.192 N/A ILE 183.A N VAL 179.A O no hydrogen 2.849 N/A ALA 184.A N GLN 180.A O no hydrogen 2.988 N/A LEU 185.A N PHE 182.A O no hydrogen 2.994 N/A SER 186.A N ILE 183.A O no hydrogen 3.089 N/A SER 186.A OG ILE 183.A O no hydrogen 3.244 N/A ALA 187.A N ILE 183.A O no hydrogen 3.087 N/A LYS 188.A N ALA 184.A O no hydrogen 3.498 N/A