Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N GLY 1.A O no hydrogen 2.713 N/A GLU 7.A N ALA 3.A O no hydrogen 3.402 N/A VAL 9.A N LEU 5.A O no hydrogen 3.270 N/A ASN 10.A N GLU 6.A O no hydrogen 2.640 N/A ASN 10.A ND2 GLU 6.A OE2 no hydrogen 3.168 N/A ASN 10.A ND2 PRO 47.A O no hydrogen 2.934 N/A ARG 11.A N GLU 7.A O no hydrogen 2.873 N/A ARG 11.A NE LEU 48.A O no hydrogen 2.953 N/A TRP 12.A N ALA 8.A O no hydrogen 3.126 N/A VAL 13.A N VAL 9.A O no hydrogen 2.700 N/A LEU 14.A N ASN 10.A O no hydrogen 2.988 N/A LYS 15.A N ARG 11.A O no hydrogen 3.032 N/A PHE 16.A N TRP 12.A O no hydrogen 2.823 N/A TYR 17.A N VAL 13.A O no hydrogen 3.020 N/A PHE 18.A N LEU 14.A O no hydrogen 3.023 N/A HIS 19.A N LYS 15.A O no hydrogen 3.271 N/A GLU 20.A N PHE 16.A O no hydrogen 3.171 N/A ALA 21.A N TYR 17.A O no hydrogen 2.814 N/A LEU 22.A N PHE 18.A O no hydrogen 2.905 N/A ARG 23.A N HIS 19.A O no hydrogen 2.849 N/A ARG 23.A NE GLU 20.A OE1 no hydrogen 2.971 N/A ARG 23.A NH2 GLU 20.A OE1 no hydrogen 3.422 N/A ALA 24.A N GLU 20.A O no hydrogen 2.990 N/A PHE 25.A N ALA 21.A O no hydrogen 2.982 N/A ARG 26.A N LEU 22.A O no hydrogen 2.772 N/A ARG 26.A NE GLU 183.A OE2 no hydrogen 2.685 N/A ARG 26.A NH2 GLU 183.A OE2 no hydrogen 2.289 N/A GLY 27.A N ARG 23.A O no hydrogen 2.980 N/A SER 28.A N PHE 25.A O no hydrogen 2.891 N/A SER 28.A OG GLU 172.A OE1 no hydrogen 2.626 N/A ARG 29.A N ALA 24.A O no hydrogen 2.657 N/A ARG 29.A NH1 ASP 32.A OD2 no hydrogen 2.719 N/A TYR 30.A OH GLU 172.A OE2 no hydrogen 2.699 N/A PHE 33.A N ARG 29.A O no hydrogen 3.111 N/A ARG 34.A N TYR 30.A O no hydrogen 3.002 N/A ARG 34.A NH1 GLU 68.A OE2 no hydrogen 2.850 N/A GLN 35.A N GLY 31.A O no hydrogen 2.949 N/A ILE 36.A N ASP 32.A O no hydrogen 2.890 N/A ARG 37.A N PHE 33.A O no hydrogen 2.781 N/A ARG 37.A NE ASP 38.A OD1 no hydrogen 3.317 N/A ARG 37.A NH1 GLU 69.A OE2 no hydrogen 3.455 N/A ARG 37.A NH2 ASP 38.A OD1 no hydrogen 3.190 N/A ASP 38.A N ARG 34.A O no hydrogen 3.019 N/A ILE 39.A N GLN 35.A O no hydrogen 3.292 N/A MET 40.A N ILE 36.A O no hydrogen 2.927 N/A GLN 41.A N ARG 37.A O no hydrogen 2.810 N/A ALA 42.A N ASP 38.A O no hydrogen 2.942 N/A LEU 43.A N ILE 39.A O no hydrogen 3.005 N/A LEU 44.A N MET 40.A O no hydrogen 3.172 N/A LEU 44.A N GLN 41.A O no hydrogen 3.152 N/A ARG 46.A N LEU 43.A O no hydrogen 2.966 N/A ARG 46.A NE GLU 6.A OE2 no hydrogen 2.782 N/A ARG 46.A NH2 GLU 6.A OE1 no hydrogen 3.239 N/A ARG 46.A NH2 GLU 6.A OE2 no hydrogen 3.009 N/A THR 53.A N LYS 50.A O no hydrogen 3.075 N/A THR 53.A OG1 LYS 50.A O no hydrogen 2.864 N/A VAL 54.A N GLU 51.A O no hydrogen 2.732 N/A SER 55.A N GLU 51.A O no hydrogen 2.959 N/A LEU 58.A N VAL 54.A O no hydrogen 2.934 N/A ARG 59.A N SER 55.A O no hydrogen 3.162 N/A ARG 59.A NE GLU 99.A OE2 no hydrogen 3.020 N/A ARG 59.A NH1 GLN 62.A OE1 no hydrogen 2.585 N/A ARG 59.A NH2 GLU 99.A OE1 no hydrogen 3.505 N/A VAL 60.A N ARG 56.A O no hydrogen 3.167 N/A MET 61.A N LEU 57.A O no hydrogen 2.898 N/A GLN 62.A N LEU 58.A O no hydrogen 2.947 N/A CYS 63.A N ARG 59.A O no hydrogen 3.173 N/A LEU 64.A N VAL 60.A O no hydrogen 3.003 N/A SER 65.A N MET 61.A O no hydrogen 2.889 N/A SER 65.A OG MET 61.A O no hydrogen 2.739 N/A ARG 66.A N GLN 62.A O no hydrogen 3.148 N/A ARG 66.A NH1 GLN 62.A O no hydrogen 2.978 N/A ILE 67.A N CYS 63.A O no hydrogen 2.945 N/A GLU 68.A N LEU 64.A O no hydrogen 2.800 N/A GLU 69.A N SER 65.A O no hydrogen 3.328 N/A GLY 70.A N ILE 67.A O no hydrogen 3.104 N/A ASN 72.A N GLU 69.A O no hydrogen 2.883 N/A ASN 72.A ND2 GLU 69.A OE1 no hydrogen 2.420 N/A CYS 75.A N ASN 72.A O no hydrogen 2.830 N/A SER 76.A OG ALA 81.A O no hydrogen 3.398 N/A SER 76.A OG LEU 83.A O no hydrogen 3.258 N/A THR 84.A N GLU 87.A OE1 no hydrogen 3.144 N/A THR 84.A OG1 GLU 87.A OE1 no hydrogen 2.705 N/A GLU 87.A N THR 84.A O no hydrogen 2.903 N/A SER 88.A N THR 84.A O no hydrogen 3.097 N/A SER 88.A OG ASP 78.A OD1 no hydrogen 2.790 N/A ALA 89.A N PRO 85.A O no hydrogen 2.830 N/A ILE 90.A N LEU 86.A O no hydrogen 3.087 N/A ASN 91.A N GLU 87.A O no hydrogen 3.388 N/A VAL 92.A N SER 88.A O no hydrogen 3.093 N/A LEU 93.A N ALA 89.A O no hydrogen 2.791 N/A GLU 94.A N ILE 90.A O no hydrogen 3.021 N/A MET 95.A N ASN 91.A O no hydrogen 3.074 N/A ILE 96.A N VAL 92.A O no hydrogen 2.750 N/A LYS 97.A N LEU 93.A O no hydrogen 2.912 N/A LYS 97.A NZ GLU 104.A OE2 no hydrogen 2.524 N/A THR 98.A N GLU 94.A O no hydrogen 3.102 N/A THR 98.A OG1 GLU 94.A O no hydrogen 3.303 N/A GLU 99.A N MET 95.A O no hydrogen 2.842 N/A PHE 100.A N ILE 96.A O no hydrogen 2.883 N/A THR 101.A N THR 98.A O no hydrogen 3.082 N/A THR 101.A OG1 PHE 100.A O no hydrogen 2.756 N/A THR 101.A OG1 THR 101.A O no hydrogen 2.380 N/A LEU 102.A N LYS 97.A O no hydrogen 2.768 N/A VAL 106.A N THR 103.A O no hydrogen 3.292 N/A VAL 107.A N THR 103.A O no hydrogen 3.199 N/A GLU 108.A N GLU 104.A O no hydrogen 2.861 N/A SER 110.A N VAL 107.A O no hydrogen 3.119 N/A ARG 111.A N VAL 107.A O no hydrogen 3.010 N/A ARG 111.A NH2 GLU 104.A OE2 no hydrogen 2.844 N/A LYS 112.A N GLU 108.A O no hydrogen 3.012 N/A LEU 113.A N SER 110.A O no hydrogen 3.114 N/A VAL 114.A N SER 110.A O no hydrogen 3.202 N/A LYS 115.A N ARG 111.A O no hydrogen 3.133 N/A LYS 115.A NZ HIS 138.A O no hydrogen 2.733 N/A GLU 116.A N LYS 112.A O no hydrogen 3.033 N/A ALA 117.A N LEU 113.A O no hydrogen 2.913 N/A ALA 118.A N VAL 114.A O no hydrogen 2.879 N/A VAL 119.A N LYS 115.A O no hydrogen 2.988 N/A ILE 120.A N GLU 116.A O no hydrogen 2.983 N/A ILE 121.A N ALA 117.A O no hydrogen 2.927 N/A CYS 122.A SG ALA 118.A O no hydrogen 3.381 N/A ILE 123.A N VAL 119.A O no hydrogen 2.959 N/A LYS 124.A N ILE 120.A O no hydrogen 2.667 N/A LYS 124.A NZ PHE 169.A O no hydrogen 2.895 N/A ASN 125.A N ILE 121.A O no hydrogen 2.921 N/A ASN 125.A ND2 ILE 121.A O no hydrogen 3.026 N/A LYS 126.A N ILE 123.A O no hydrogen 2.668 N/A GLU 127.A N CYS 122.A O no hydrogen 2.775 N/A LYS 130.A NZ GLU 87.A OE1 no hydrogen 3.362 N/A ALA 131.A N GLU 127.A O no hydrogen 3.009 N/A SER 132.A N PHE 128.A O no hydrogen 3.229 N/A LYS 133.A N GLU 129.A O no hydrogen 3.208 N/A ILE 134.A N LYS 130.A O no hydrogen 2.948 N/A LEU 135.A N ALA 131.A O no hydrogen 2.667 N/A LYS 136.A N SER 132.A O no hydrogen 2.597 N/A LYS 137.A N LYS 133.A O no hydrogen 2.834 N/A HIS 138.A N ILE 134.A O no hydrogen 2.906 N/A HIS 138.A N LEU 135.A O no hydrogen 3.288 N/A MET 139.A N LEU 135.A O no hydrogen 3.006 N/A GLN 146.A N PRO 143.A O no hydrogen 2.300 N/A LYS 147.A N THR 144.A O no hydrogen 3.062 N/A ARG 149.A NH1 MET 139.A O no hydrogen 3.397 N/A ASP 151.A N LYS 147.A O no hydrogen 2.894 N/A LEU 152.A N LEU 148.A O no hydrogen 2.860 N/A LEU 153.A N ARG 149.A O no hydrogen 2.930 N/A ASN 154.A N ASN 150.A O no hydrogen 2.860 N/A ILE 155.A N ASP 151.A O no hydrogen 2.647 N/A ILE 156.A N LEU 152.A O no hydrogen 2.703 N/A ARG 157.A N LEU 153.A O no hydrogen 2.635 N/A GLU 158.A N ASN 154.A O no hydrogen 3.055 N/A LYS 159.A N ILE 156.A O no hydrogen 2.771 N/A ASN 160.A N ILE 155.A O no hydrogen 2.816 N/A LEU 161.A N LYS 159.A O no hydrogen 3.289 N/A HIS 163.A N ASN 160.A O no hydrogen 3.410 N/A VAL 165.A N HIS 163.A ND1 no hydrogen 2.858 N/A ILE 166.A N HIS 163.A O no hydrogen 3.241 N/A GLN 167.A N HIS 163.A O no hydrogen 2.861 N/A GLN 167.A NE2 LEU 161.A O no hydrogen 2.551 N/A ASN 168.A N PRO 164.A O no hydrogen 2.880 N/A PHE 169.A N ILE 166.A O no hydrogen 3.284 N/A SER 170.A OG THR 173.A OG1 no hydrogen 3.399 N/A TYR 171.A OH ILE 67.A O no hydrogen 2.514 N/A THR 173.A N SER 170.A OG no hydrogen 3.299 N/A THR 173.A OG1 SER 170.A OG no hydrogen 3.399 N/A PHE 174.A N SER 170.A O no hydrogen 2.963 N/A GLN 175.A N TYR 171.A O no hydrogen 2.701 N/A GLN 175.A NE2 TYR 171.A O no hydrogen 3.642 N/A GLN 176.A N GLU 172.A O no hydrogen 3.028 N/A GLN 176.A NE2 PHE 25.A O no hydrogen 3.038 N/A GLN 176.A NE2 TYR 30.A OH no hydrogen 3.038 N/A LYS 177.A N THR 173.A O no hydrogen 3.124 N/A MET 178.A N PHE 174.A O no hydrogen 3.075 N/A LEU 179.A N GLN 175.A O no hydrogen 3.052 N/A ARG 180.A N GLN 176.A O no hydrogen 3.186 N/A ARG 180.A NE GLN 176.A O no hydrogen 3.151 N/A PHE 181.A N LYS 177.A O no hydrogen 3.171 N/A LEU 182.A N MET 178.A O no hydrogen 2.964 N/A GLU 183.A N LEU 179.A O no hydrogen 2.748 N/A SER 184.A N ARG 180.A O no hydrogen 3.312 N/A SER 184.A OG PHE 181.A O no hydrogen 2.845 N/A HIS 185.A N LEU 182.A O no hydrogen 3.168 N/A LEU 186.A N GLU 183.A O no hydrogen 3.158 N/A ALA 189.A N ASP 187.A O no hydrogen 3.018 N/A LEU 194.A N PRO 191.A O no hydrogen 3.080 N/A THR 195.A N PRO 191.A O no hydrogen 3.191 N/A THR 195.A OG1 GLU 190.A OE1 no hydrogen 2.480 N/A THR 195.A OG1 PRO 191.A O no hydrogen 3.255 N/A MET 196.A N TYR 192.A O no hydrogen 3.097 N/A ALA 197.A N LEU 193.A O no hydrogen 3.086 N/A LYS 198.A N LEU 194.A O no hydrogen 3.087 N/A LYS 198.A N THR 195.A O no hydrogen 3.268 N/A LYS 198.A NZ GLU 190.A OE2 no hydrogen 2.849 N/A LYS 199.A N THR 195.A O no hydrogen 3.000 N/A ALA 200.A N MET 196.A O no hydrogen 2.604 N/A LEU 201.A N ALA 197.A O no hydrogen 2.962 N/A