Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rpu_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N PRO 2.A O no hydrogen 3.295 N/A GLN 7.A N VAL 3.A O no hydrogen 2.954 N/A ALA 8.A N LYS 4.A O no hydrogen 2.917 N/A LEU 9.A N LEU 5.A O no hydrogen 2.877 N/A ALA 10.A N ALA 6.A O no hydrogen 3.093 N/A ASN 11.A N ALA 8.A O no hydrogen 3.381 N/A LEU 13.A N ASN 11.A OD1 no hydrogen 2.799 N/A PHE 14.A N ASN 11.A O no hydrogen 3.201 N/A LEU 17.A N LEU 13.A O no hydrogen 3.253 N/A ASP 18.A N PHE 14.A O no hydrogen 2.773 N/A SER 19.A N PRO 15.A O no hydrogen 2.970 N/A ALA 20.A N ALA 16.A O no hydrogen 2.967 N/A LEU 21.A N LEU 17.A O no hydrogen 2.807 N/A ARG 22.A N ASP 18.A O no hydrogen 2.804 N/A ARG 22.A NE ASP 18.A OD2 no hydrogen 2.799 N/A ARG 22.A NH2 ASP 18.A OD1 no hydrogen 3.222 N/A SER 23.A N ALA 20.A O no hydrogen 2.748 N/A GLY 24.A N LEU 21.A O no hydrogen 3.016 N/A ARG 25.A N ALA 20.A O no hydrogen 3.134 N/A ARG 25.A NE GLU 31.A OE1 no hydrogen 2.730 N/A ARG 25.A NH2 GLU 31.A OE1 no hydrogen 2.554 N/A HIS 26.A N LEU 155.A O no hydrogen 2.690 N/A ILE 27.A N PHE 64.A O no hydrogen 2.755 N/A LEU 29.A N GLU 172.A OE1 no hydrogen 2.895 N/A LEU 29.A N GLU 172.A OE2 no hydrogen 3.285 N/A ASN 34.A ND2 GLU 31.A OE2 no hydrogen 2.903 N/A HIS 35.A N GLU 31.A O no hydrogen 2.962 N/A HIS 35.A NE2 GLY 62.A O no hydrogen 2.941 N/A ALA 36.A N LEU 32.A O no hydrogen 2.923 N/A PHE 37.A N ASP 33.A O no hydrogen 2.980 N/A LEU 38.A N ASN 34.A O no hydrogen 2.875 N/A MET 39.A N HIS 35.A O no hydrogen 2.838 N/A ASP 40.A N ALA 36.A O no hydrogen 2.965 N/A PHE 41.A N PHE 37.A O no hydrogen 3.087 N/A GLN 42.A N MET 39.A O no hydrogen 3.320 N/A TYR 44.A N PHE 41.A O no hydrogen 2.780 N/A LEU 45.A N PHE 41.A O no hydrogen 3.075 N/A GLU 46.A N GLN 42.A O no hydrogen 2.898 N/A GLU 47.A N TYR 44.A O no hydrogen 2.646 N/A PHE 48.A N TYR 44.A O no hydrogen 2.948 N/A TYR 49.A N LEU 45.A O no hydrogen 3.009 N/A TYR 49.A OH ASP 18.A OD2 no hydrogen 2.941 N/A ALA 50.A N GLU 46.A O no hydrogen 2.948 N/A ARG 51.A N GLU 47.A O no hydrogen 3.014 N/A ARG 51.A N PHE 48.A O no hydrogen 3.180 N/A TYR 52.A N TYR 49.A O no hydrogen 2.784 N/A ASN 53.A N ALA 50.A O no hydrogen 2.483 N/A GLU 55.A N ARG 67.A O no hydrogen 2.995 N/A ILE 57.A N TYR 65.A O no hydrogen 2.859 N/A ARG 58.A NE GLY 62.A O no hydrogen 3.210 N/A ALA 59.A N PHE 63.A O no hydrogen 3.071 N/A GLY 62.A N ALA 59.A O no hydrogen 3.147 N/A PHE 64.A N ILE 27.A O no hydrogen 3.198 N/A TYR 65.A N ILE 57.A O no hydrogen 3.045 N/A TYR 65.A OH GLU 199.A OE1 no hydrogen 2.768 N/A ARG 67.A N GLU 55.A O no hydrogen 2.944 N/A ARG 67.A NH1 GLU 199.A OE1 no hydrogen 2.802 N/A ARG 67.A NH2 GLU 55.A OE1 no hydrogen 2.631 N/A ARG 69.A N ASN 53.A O no hydrogen 3.151 N/A THR 71.A OG1 ASN 53.A OD1 no hydrogen 2.629 N/A THR 72.A OG1 ILE 74.A O no hydrogen 2.487 N/A LEU 73.A N TYR 52.A O no hydrogen 3.063 N/A SER 80.A N ASP 83.A OD2 no hydrogen 3.078 N/A SER 80.A OG ASP 83.A OD1 no hydrogen 2.853 N/A MET 84.A N SER 80.A O no hydrogen 2.916 N/A MET 85.A N GLU 81.A O no hydrogen 2.876 N/A VAL 86.A N LEU 82.A O no hydrogen 3.051 N/A GLY 87.A N ASP 83.A O no hydrogen 2.977 N/A LYS 88.A N MET 84.A O no hydrogen 2.826 N/A LYS 88.A NZ PHE 177.A O no hydrogen 2.756 N/A LYS 88.A NZ ASP 180.A OD2 no hydrogen 3.177 N/A ILE 89.A N MET 85.A O no hydrogen 2.869 N/A LEU 90.A N VAL 86.A O no hydrogen 2.896 N/A CYS 91.A N GLY 87.A O no hydrogen 2.860 N/A TYR 92.A N LYS 88.A O no hydrogen 2.827 N/A LEU 93.A N ILE 89.A O no hydrogen 2.982 N/A TYR 94.A N CYS 91.A O no hydrogen 2.499 N/A LEU 95.A N CYS 91.A O no hydrogen 2.930 N/A LEU 95.A N TYR 92.A O no hydrogen 2.809 N/A GLU 98.A N SER 96.A OG no hydrogen 3.256 N/A ARG 99.A N SER 96.A O no hydrogen 3.419 N/A ARG 99.A NE TYR 94.A O no hydrogen 3.074 N/A ARG 99.A NH2 TYR 94.A O no hydrogen 2.671 N/A LEU 100.A N PRO 97.A O no hydrogen 2.865 N/A ASN 102.A ND2 ILE 105.A O no hydrogen 3.308 N/A ASN 102.A ND2 GLU 110.A OE1 no hydrogen 2.883 N/A GLU 103.A N ARG 99.A O no hydrogen 3.100 N/A ILE 105.A N ASN 102.A O no hydrogen 3.435 N/A PHE 106.A N PHE 168.A O no hydrogen 2.954 N/A GLN 108.A N SER 166.A O no hydrogen 3.042 N/A GLN 108.A NE2 SER 165.A O no hydrogen 2.617 N/A GLU 110.A N THR 107.A OG1 no hydrogen 3.281 N/A LEU 111.A N THR 107.A O no hydrogen 3.328 N/A TYR 112.A N GLN 108.A O no hydrogen 3.016 N/A ASP 113.A N GLN 109.A O no hydrogen 2.860 N/A GLU 114.A N GLU 110.A O no hydrogen 2.917 N/A LEU 115.A N LEU 111.A O no hydrogen 2.941 N/A LEU 116.A N TYR 112.A O no hydrogen 2.985 N/A THR 117.A N ASP 113.A O no hydrogen 2.961 N/A THR 117.A OG1 ASP 113.A O no hydrogen 3.173 N/A LEU 118.A N GLU 114.A O no hydrogen 3.058 N/A ALA 119.A N LEU 115.A O no hydrogen 3.019 N/A LYS 123.A N ASP 120.A OD1 no hydrogen 2.540 N/A LEU 124.A N ASP 120.A O no hydrogen 2.930 N/A LYS 126.A N ALA 122.A O no hydrogen 3.301 N/A LEU 127.A N LYS 123.A O no hydrogen 2.912 N/A ASN 129.A N LEU 125.A O no hydrogen 3.016 N/A SER 132.A OG ARG 131.A O no hydrogen 2.705 N/A SER 132.A OG ASP 137.A OD2 no hydrogen 2.751 N/A SER 134.A OG ASP 137.A OD1 no hydrogen 2.477 N/A ASP 137.A N SER 134.A OG no hydrogen 3.346 N/A ARG 138.A N SER 134.A O no hydrogen 3.334 N/A GLN 139.A N ASP 135.A O no hydrogen 3.338 N/A GLN 139.A N VAL 136.A O no hydrogen 2.938 N/A LYS 140.A N VAL 136.A O no hydrogen 2.962 N/A LYS 140.A NZ GLU 143.A OE2 no hydrogen 2.990 N/A LEU 141.A N ASP 137.A O no hydrogen 2.926 N/A GLN 142.A NE2 ARG 138.A O no hydrogen 3.477 N/A GLU 143.A N GLN 139.A O no hydrogen 2.822 N/A LYS 144.A N LYS 140.A O no hydrogen 2.843 N/A VAL 145.A N LEU 141.A O no hydrogen 2.985 N/A ARG 146.A N GLN 142.A O no hydrogen 2.952 N/A SER 147.A N GLU 143.A O no hydrogen 2.888 N/A SER 147.A OG GLU 143.A O no hydrogen 3.512 N/A SER 148.A N LYS 144.A O no hydrogen 2.799 N/A SER 148.A OG ASP 83.A OD1 no hydrogen 2.840 N/A SER 148.A OG LYS 144.A O no hydrogen 3.062 N/A LEU 149.A N VAL 145.A O no hydrogen 2.917 N/A ASN 150.A N ARG 146.A O no hydrogen 2.912 N/A ARG 151.A N SER 147.A O no hydrogen 2.861 N/A ARG 151.A NE ASP 83.A OD2 no hydrogen 2.916 N/A ARG 151.A NH1 ASP 83.A OD1 no hydrogen 3.263 N/A ARG 151.A NH1 ASP 83.A OD2 no hydrogen 3.055 N/A LEU 152.A N SER 148.A O no hydrogen 2.926 N/A ARG 153.A N ASN 150.A O no hydrogen 2.603 N/A ARG 153.A NH1 ASN 150.A OD1 no hydrogen 3.123 N/A ARG 154.A N ASN 150.A O no hydrogen 2.976 N/A LEU 155.A N ARG 151.A O no hydrogen 2.922 N/A GLY 156.A N ARG 153.A O no hydrogen 3.152 N/A MET 157.A N LEU 152.A O no hydrogen 2.879 N/A MET 161.A N LYS 167.A O no hydrogen 2.649 N/A SER 165.A OG GLN 108.A OE1 no hydrogen 3.309 N/A PHE 168.A N PHE 106.A O no hydrogen 3.152 N/A ARG 169.A N TRP 159.A O no hydrogen 2.678 N/A THR 171.A OG1 ASP 30.A OD2 no hydrogen 3.338 N/A THR 171.A OG1 MET 157.A O no hydrogen 3.101 N/A SER 173.A OG HIS 26.A O no hydrogen 3.421 N/A SER 173.A OG GLY 156.A O no hydrogen 3.110 N/A VAL 174.A N THR 171.A O no hydrogen 2.946 N/A PHE 175.A N GLU 172.A O no hydrogen 2.816 N/A ARG 176.A N SER 173.A O no hydrogen 2.966 N/A ARG 176.A NE GLU 199.A OE2 no hydrogen 2.982 N/A ARG 176.A NH1 GLU 199.A OE2 no hydrogen 2.842 N/A PHE 177.A N VAL 174.A O no hydrogen 2.770 N/A GLY 178.A N PHE 175.A O no hydrogen 2.736 N/A VAL 181.A N GLY 178.A O no hydrogen 2.881 N/A ARG 182.A N GLY 178.A O no hydrogen 2.938 N/A ARG 182.A N ALA 179.A O no hydrogen 3.053 N/A ARG 188.A N ASP 186.A OD1 no hydrogen 3.155 N/A ARG 188.A NE ASP 186.A OD1 no hydrogen 3.289 N/A ARG 188.A NE ASP 186.A OD2 no hydrogen 3.164 N/A ARG 188.A NH2 ASP 186.A OD2 no hydrogen 3.171 N/A ALA 190.A N ASP 186.A O no hydrogen 3.349 N/A GLN 191.A N PRO 187.A O no hydrogen 2.862 N/A ARG 192.A N ARG 188.A O no hydrogen 3.017 N/A ARG 193.A N GLU 189.A O no hydrogen 2.990 N/A LEU 194.A N ALA 190.A O no hydrogen 2.889 N/A LEU 194.A N GLN 191.A O no hydrogen 2.654 N/A ILE 195.A N GLN 191.A O no hydrogen 2.963 N/A ARG 196.A NE ASP 197.A OD2 no hydrogen 3.480 N/A ASP 197.A N ARG 193.A O no hydrogen 3.162 N/A GLU 199.A N LEU 194.A O no hydrogen 2.934 N/A ALA 200.A N LEU 194.A O no hydrogen 2.995 N/A