Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pu9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ARG 214.A O no hydrogen 2.964 N/A GLU 5.A N ARG 212.A O no hydrogen 2.880 N/A ALA 7.A N VAL 210.A O no hydrogen 2.837 N/A ALA 9.A N VAL 208.A O no hydrogen 3.015 N/A LYS 10.A NZ ASP 21.A O no hydrogen 2.922 N/A LYS 13.A N ASP 206.A OD1 no hydrogen 2.856 N/A PHE 14.A N ALA 203.A O no hydrogen 2.810 N/A THR 16.A N LYS 13.A O no hydrogen 3.135 N/A THR 16.A OG1 LYS 13.A O no hydrogen 2.748 N/A THR 16.A OG1 GLU 18.A O no hydrogen 3.305 N/A GLY 20.A N ASP 206.A OD2 no hydrogen 2.726 N/A ASP 21.A N SER 19.A OG no hydrogen 2.928 N/A THR 22.A N VAL 38.A O no hydrogen 2.874 N/A THR 22.A OG1 SER 51.A OG no hydrogen 2.751 N/A GLU 24.A N VAL 36.A O no hydrogen 3.032 N/A VAL 26.A N SER 34.A O no hydrogen 2.965 N/A ARG 28.A N GLY 32.A O no hydrogen 2.919 N/A ARG 28.A NH1 SER 34.A OG no hydrogen 2.907 N/A ARG 28.A NH1 ASP 68.A OD1 no hydrogen 2.783 N/A ARG 28.A NH1 ASP 68.A OD2 no hydrogen 3.360 N/A ARG 28.A NH2 ASP 68.A OD1 no hydrogen 3.376 N/A ARG 28.A NH2 ASP 96.A OD2 no hydrogen 2.910 N/A GLY 31.A N ARG 28.A O no hydrogen 2.899 N/A PHE 33.A N VAL 95.A O no hydrogen 3.078 N/A SER 34.A N VAL 26.A O no hydrogen 2.861 N/A SER 34.A OG SER 94.A OG no hydrogen 2.547 N/A ALA 35.A N LEU 93.A O no hydrogen 2.817 N/A VAL 36.A N GLU 24.A O no hydrogen 2.885 N/A LEU 37.A N ASP 91.A O no hydrogen 2.895 N/A VAL 38.A N THR 22.A O no hydrogen 2.898 N/A ASP 39.A N ALA 89.A O no hydrogen 2.888 N/A GLY 40.A N GLY 20.A O no hydrogen 3.159 N/A GLN 41.A N SER 87.A O no hydrogen 3.153 N/A LYS 48.A N GLY 44.A O no hydrogen 2.952 N/A LYS 48.A NZ ASP 21.A O no hydrogen 3.298 N/A LYS 48.A NZ THR 22.A OG1 no hydrogen 2.875 N/A ARG 49.A N ALA 45.A O no hydrogen 2.908 N/A LEU 50.A N GLY 46.A O no hydrogen 3.196 N/A SER 51.A N ALA 47.A O no hydrogen 2.923 N/A SER 51.A OG GLY 20.A O no hydrogen 2.795 N/A SER 51.A OG THR 22.A OG1 no hydrogen 2.751 N/A SER 51.A OG ALA 47.A O no hydrogen 3.408 N/A SER 51.A OG LYS 48.A O no hydrogen 3.295 N/A LEU 52.A N LYS 48.A O no hydrogen 2.927 N/A LEU 53.A N ARG 49.A O no hydrogen 3.053 N/A VAL 54.A N LEU 50.A O no hydrogen 3.077 N/A ALA 55.A N SER 51.A O no hydrogen 2.883 N/A GLY 56.A N LEU 52.A O no hydrogen 2.869 N/A ALA 57.A N LEU 53.A O no hydrogen 3.198 N/A ALA 58.A N VAL 54.A O no hydrogen 2.977 N/A VAL 59.A N ALA 55.A O no hydrogen 2.871 N/A ARG 60.A N GLY 56.A O no hydrogen 3.027 N/A LEU 61.A N ALA 57.A O no hydrogen 3.011 N/A LEU 62.A N ALA 58.A O no hydrogen 3.025 N/A ASN 63.A N VAL 59.A O no hydrogen 2.928 N/A GLU 64.A N ARG 60.A O no hydrogen 3.063 N/A GLU 64.A N LEU 61.A O no hydrogen 3.149 N/A GLY 65.A N LEU 62.A O no hydrogen 3.030 N/A VAL 66.A N LEU 61.A O no hydrogen 3.128 N/A ALA 71.A N ARG 67.A O no hydrogen 2.729 N/A ALA 72.A N ASP 68.A O no hydrogen 2.945 N/A ARG 73.A N GLY 69.A O no hydrogen 3.050 N/A ARG 73.A NE ASP 77.A OD1 no hydrogen 2.836 N/A ARG 73.A NH1 THR 135.A O no hydrogen 2.823 N/A ALA 74.A N ALA 70.A O no hydrogen 2.855 N/A ALA 75.A N ALA 71.A O no hydrogen 2.846 N/A HIS 76.A N ALA 72.A O no hydrogen 2.991 N/A ASP 77.A N ARG 73.A O no hydrogen 2.851 N/A PHE 78.A N ALA 74.A O no hydrogen 2.880 N/A LEU 79.A N ALA 75.A O no hydrogen 3.025 N/A TYR 80.A N HIS 76.A O no hydrogen 2.879 N/A ALA 81.A N ASP 77.A O no hydrogen 2.932 N/A ASP 83.A N ALA 81.A O no hydrogen 3.407 N/A GLY 84.A N TYR 80.A O no hydrogen 2.819 N/A LYS 85.A N ARG 82.A O no hydrogen 3.188 N/A LYS 85.A NZ ASP 83.A O no hydrogen 2.993 N/A SER 87.A N GLN 41.A OE1 no hydrogen 3.104 N/A SER 87.A OG GLN 41.A OE1 no hydrogen 3.520 N/A ALA 88.A N ILE 129.A O no hydrogen 2.946 N/A ALA 89.A N ASP 39.A O no hydrogen 2.966 N/A LEU 90.A N ASN 107.A O no hydrogen 2.958 N/A ASP 91.A N LEU 37.A O no hydrogen 2.900 N/A ILE 92.A N THR 105.A O no hydrogen 2.879 N/A LEU 93.A N ALA 35.A O no hydrogen 2.850 N/A SER 94.A N LEU 103.A O no hydrogen 2.786 N/A SER 94.A OG SER 34.A OG no hydrogen 2.547 N/A SER 94.A OG ASP 68.A OD2 no hydrogen 2.537 N/A VAL 95.A N PHE 33.A O no hydrogen 2.902 N/A ASP 96.A N SER 101.A O no hydrogen 2.893 N/A LEU 97.A N GLY 31.A O no hydrogen 2.923 N/A ALA 98.A N ASP 96.A OD1 no hydrogen 3.041 N/A SER 99.A N ASP 96.A OD1 no hydrogen 3.000 N/A SER 99.A OG SER 101.A OG no hydrogen 2.777 N/A ARG 100.A NH1 LEU 97.A O no hydrogen 3.281 N/A SER 101.A N ASP 96.A O no hydrogen 3.173 N/A SER 101.A OG SER 99.A OG no hydrogen 2.777 N/A SER 101.A OG GLU 141.A OE2 no hydrogen 2.910 N/A VAL 102.A N PHE 142.A O no hydrogen 2.803 N/A LEU 103.A N SER 94.A O no hydrogen 2.945 N/A VAL 104.A N LEU 140.A O no hydrogen 2.863 N/A THR 105.A N ILE 92.A O no hydrogen 2.850 N/A ARG 106.A N ARG 138.A O no hydrogen 2.825 N/A ARG 106.A NE ASP 91.A OD1 no hydrogen 2.954 N/A ARG 106.A NH1 ASP 91.A OD1 no hydrogen 3.192 N/A ARG 106.A NH1 VAL 110.A O no hydrogen 2.657 N/A ARG 106.A NH2 VAL 110.A O no hydrogen 3.001 N/A ARG 106.A NH2 GLU 124.A O no hydrogen 3.256 N/A ASN 107.A N LEU 90.A O no hydrogen 2.723 N/A ASN 107.A ND2 GLY 127.A O no hydrogen 2.764 N/A ASN 107.A ND2 ARG 136.A O no hydrogen 3.196 N/A SER 108.A N SER 125.A OG no hydrogen 2.996 N/A SER 108.A OG ASP 91.A OD1 no hydrogen 2.831 N/A SER 108.A OG ASP 91.A OD2 no hydrogen 3.381 N/A GLU 109.A N SER 125.A OG no hydrogen 2.954 N/A LEU 112.A N ILE 151.A O no hydrogen 2.963 N/A LEU 113.A N GLU 120.A O no hydrogen 2.933 N/A GLY 114.A N THR 149.A O no hydrogen 2.776 N/A ARG 115.A N.A GLU 118.A O no hydrogen 2.981 N/A ARG 115.A N.B GLU 118.A O no hydrogen 2.990 N/A ARG 115.A NE.A GLU 120.A OE1 no hydrogen 2.855 N/A ARG 115.A NH2.A GLU 120.A OE1 no hydrogen 3.532 N/A ARG 115.A NH2.A GLU 120.A OE2 no hydrogen 3.396 N/A GLU 118.A N ARG 115.A O.A no hydrogen 3.134 N/A GLU 118.A N ARG 115.A O.B no hydrogen 3.201 N/A GLU 120.A N LEU 113.A O no hydrogen 2.883 N/A SER 125.A OG GLY 126.A O no hydrogen 2.632 N/A GLY 126.A N ARG 106.A O no hydrogen 2.837 N/A ARG 128.A NE SER 87.A OG no hydrogen 3.179 N/A ARG 128.A NH2 SER 87.A OG no hydrogen 2.808 N/A ILE 129.A N ALA 88.A O no hydrogen 2.934 N/A THR 135.A N TYR 132.A O no hydrogen 3.124 N/A THR 135.A OG1 TYR 132.A O no hydrogen 2.749 N/A ARG 138.A N ARG 106.A O no hydrogen 3.284 N/A ARG 138.A NE GLU 124.A OE1 no hydrogen 2.926 N/A ARG 138.A NH2 GLU 124.A OE1 no hydrogen 2.852 N/A LEU 140.A N VAL 104.A O no hydrogen 2.812 N/A PHE 142.A N VAL 102.A O no hydrogen 2.870 N/A ALA 144.A N ARG 100.A O no hydrogen 2.965 N/A GLY 147.A N LEU 213.A O no hydrogen 2.903 N/A LEU 148.A N GLU 145.A O no hydrogen 3.390 N/A THR 149.A N GLY 114.A O no hydrogen 2.984 N/A VAL 150.A N LEU 211.A O no hydrogen 2.881 N/A ILE 151.A N LEU 112.A O no hydrogen 2.882 N/A LEU 152.A N VAL 209.A O no hydrogen 2.887 N/A SER 154.A N THR 207.A O no hydrogen 3.039 N/A SER 154.A OG ASP 21.A OD2 no hydrogen 2.871 N/A SER 154.A OG ASP 206.A O no hydrogen 3.257 N/A ILE 157.A N SER 154.A O no hydrogen 3.091 N/A GLY 159.A N ASP 155.A O no hydrogen 2.938 N/A ALA 160.A N ILE 157.A O no hydrogen 3.244 N/A GLY 161.A N ASP 199.A OD1 no hydrogen 2.804 N/A GLY 162.A N GLY 159.A O no hydrogen 3.089 N/A ARG 163.A NH1 ASP 199.A O no hydrogen 2.805 N/A ARG 163.A NH2 ARG 202.A O no hydrogen 2.754 N/A ARG 164.A NE GLN 166.A O no hydrogen 3.154 N/A ARG 164.A NH2 GLN 166.A O no hydrogen 3.110 N/A GLY 165.A N GLY 162.A O no hydrogen 3.173 N/A GLN 166.A N GLY 161.A O no hydrogen 2.834 N/A LEU 168.A N ALA 160.A O no hydrogen 2.797 N/A THR 173.A N GLU 169.A O no hydrogen 2.876 N/A THR 173.A OG1 GLU 169.A O no hydrogen 2.853 N/A GLY 174.A N PHE 170.A O no hydrogen 2.916 N/A GLY 175.A N LEU 171.A O no hydrogen 2.936 N/A ARG 176.A N.A ALA 172.A O no hydrogen 2.979 N/A ARG 176.A N.B ALA 172.A O no hydrogen 2.970 N/A VAL 177.A N THR 173.A O no hydrogen 2.943 N/A ALA 178.A N GLY 174.A O no hydrogen 2.972 N/A GLY 179.A N THR 182.A OG1 no hydrogen 3.110 N/A THR 182.A N GLY 179.A O no hydrogen 3.083 N/A THR 182.A OG1 GLY 179.A O no hydrogen 3.278 N/A ALA 184.A N GLU 5.A OE1 no hydrogen 2.997 N/A ALA 186.A N PRO 183.A O no hydrogen 3.084 N/A ILE 187.A N PRO 183.A O no hydrogen 3.142 N/A ALA 188.A N ALA 184.A O no hydrogen 2.971 N/A ASP 189.A N GLN 185.A O no hydrogen 2.860 N/A GLU 190.A N ALA 186.A O no hydrogen 2.882 N/A LEU 191.A N ILE 187.A O no hydrogen 2.967 N/A LEU 192.A N ALA 188.A O no hydrogen 3.040 N/A GLU 193.A N ASP 189.A O no hydrogen 2.905 N/A ALA 194.A N GLU 190.A O no hydrogen 2.914 N/A ALA 195.A N LEU 191.A O no hydrogen 3.038 N/A LEU 196.A N LEU 192.A O no hydrogen 2.892 N/A VAL 197.A N GLU 193.A O no hydrogen 2.855 N/A ALA 198.A N ALA 194.A O no hydrogen 2.956 N/A ASP 199.A N ALA 195.A O no hydrogen 3.032 N/A ASP 199.A N LEU 196.A O no hydrogen 3.185 N/A ASP 200.A N VAL 197.A O no hydrogen 2.960 N/A GLY 201.A N LEU 196.A O no hydrogen 2.814 N/A ARG 202.A N ASP 199.A O no hydrogen 2.997 N/A GLY 204.A N ASP 199.A OD2 no hydrogen 2.875 N/A THR 207.A OG1 ASP 21.A OD2 no hydrogen 2.654 N/A VAL 208.A N ALA 9.A O no hydrogen 2.964 N/A VAL 209.A N LEU 152.A O no hydrogen 2.800 N/A VAL 210.A N ALA 7.A O no hydrogen 2.833 N/A LEU 211.A N VAL 150.A O no hydrogen 2.871 N/A ARG 212.A N GLU 5.A O no hydrogen 2.870 N/A ARG 212.A NE THR 182.A O no hydrogen 3.350 N/A ARG 212.A NH1 THR 149.A OG1 no hydrogen 2.868 N/A ARG 212.A NH2 GLY 179.A O no hydrogen 2.809 N/A ARG 212.A NH2 THR 182.A O no hydrogen 2.810 N/A LEU 213.A N LEU 148.A O no hydrogen 2.871 N/A ARG 214.A N THR 3.A O no hydrogen 2.845 N/A ARG 214.A NE GLU 5.A OE2 no hydrogen 2.914 N/A ARG 214.A NH1 ASN 215.A O no hydrogen 3.206 N/A ILE 222.A N GLU 220.A O no hydrogen 2.899 N/A