Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rak_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 VAL 1.A O no hydrogen 3.514 N/A GLU 8.A N THR 4.A O no hydrogen 2.960 N/A LEU 9.A N ALA 5.A O no hydrogen 3.137 N/A MET 10.A N ALA 6.A O no hydrogen 3.154 N/A ILE 11.A N GLN 7.A O no hydrogen 2.909 N/A GLN 12.A N GLU 8.A O no hydrogen 3.027 N/A GLN 13.A N LEU 9.A O no hydrogen 2.832 N/A LEU 14.A N MET 10.A O no hydrogen 2.784 N/A VAL 15.A N ILE 11.A O no hydrogen 2.830 N/A ALA 16.A N GLN 12.A O no hydrogen 2.803 N/A ALA 17.A N GLN 13.A O no hydrogen 2.795 N/A GLN 18.A N LEU 14.A O no hydrogen 2.955 N/A GLN 18.A NE2 ASP 150.A O no hydrogen 3.426 N/A LEU 19.A N VAL 15.A O no hydrogen 3.060 N/A GLN 20.A N ALA 16.A O no hydrogen 3.067 N/A CYS 21.A N ALA 17.A O no hydrogen 3.163 N/A CYS 21.A SG ALA 17.A O no hydrogen 3.281 N/A CYS 21.A SG GLU 64.A O no hydrogen 3.802 N/A ASN 22.A N GLN 18.A O no hydrogen 3.383 N/A LYS 23.A N LEU 19.A O no hydrogen 2.928 N/A ARG 24.A N GLN 20.A O no hydrogen 3.100 N/A SER 25.A N CYS 21.A O no hydrogen 3.429 N/A SER 25.A OG CYS 21.A O no hydrogen 3.231 N/A SER 25.A OG GLU 64.A OE1 no hydrogen 2.641 N/A PHE 26.A N ASN 22.A O no hydrogen 3.283 N/A PHE 26.A N LYS 23.A O no hydrogen 3.249 N/A SER 27.A N ARG 24.A O no hydrogen 3.370 N/A SER 27.A OG ARG 24.A O no hydrogen 3.175 N/A ASP 28.A N SER 25.A O no hydrogen 3.142 N/A GLN 29.A N PHE 26.A O no hydrogen 3.270 N/A LYS 31.A N ASP 28.A O no hydrogen 2.920 N/A VAL 32.A N ASP 28.A O no hydrogen 3.218 N/A THR 33.A OG1 GLU 56.A OE2 no hydrogen 2.905 N/A GLN 42.A N ASP 40.A OD1 no hydrogen 3.094 N/A SER 43.A N ASP 40.A O no hydrogen 2.787 N/A ALA 46.A N SER 43.A OG no hydrogen 3.131 N/A ARG 47.A N SER 43.A O no hydrogen 3.180 N/A GLN 48.A N ARG 44.A O no hydrogen 2.886 N/A GLN 49.A N ASP 45.A O no hydrogen 2.943 N/A GLN 49.A NE2 PRO 34.A O no hydrogen 3.129 N/A ARG 50.A N ALA 46.A O no hydrogen 2.839 N/A ARG 50.A NE ARG 125.A O no hydrogen 2.812 N/A ARG 50.A NH2 ARG 125.A O no hydrogen 3.294 N/A PHE 51.A N ARG 47.A O no hydrogen 3.139 N/A ALA 52.A N GLN 48.A O no hydrogen 3.076 N/A HIS 53.A N GLN 49.A O no hydrogen 2.983 N/A PHE 54.A N ARG 50.A O no hydrogen 3.067 N/A THR 55.A N PHE 51.A O no hydrogen 2.993 N/A THR 55.A OG1 PHE 51.A O no hydrogen 2.724 N/A GLU 56.A N ALA 52.A O no hydrogen 3.129 N/A LEU 57.A N HIS 53.A O no hydrogen 2.937 N/A ALA 58.A N PHE 54.A O no hydrogen 3.130 N/A ILE 59.A N THR 55.A O no hydrogen 3.042 N/A ILE 60.A N GLU 56.A O no hydrogen 3.037 N/A SER 61.A N LEU 57.A O no hydrogen 3.043 N/A VAL 62.A N ALA 58.A O no hydrogen 3.060 N/A GLN 63.A N ILE 59.A O no hydrogen 3.491 N/A GLN 63.A NE2 ASP 67.A OD2 no hydrogen 3.491 N/A GLU 64.A N ILE 60.A O no hydrogen 3.016 N/A ILE 65.A N SER 61.A O no hydrogen 2.795 N/A VAL 66.A N VAL 62.A O no hydrogen 3.008 N/A ASP 67.A N GLN 63.A O no hydrogen 2.938 N/A PHE 68.A N GLU 64.A O no hydrogen 2.977 N/A ALA 69.A N ILE 65.A O no hydrogen 3.023 N/A LYS 70.A N VAL 66.A O no hydrogen 3.095 N/A GLN 71.A N PHE 68.A O no hydrogen 3.081 N/A VAL 72.A N ALA 69.A O no hydrogen 2.837 N/A PHE 75.A N VAL 72.A O no hydrogen 3.001 N/A GLN 77.A N GLY 74.A O no hydrogen 3.067 N/A LEU 78.A N PHE 75.A O no hydrogen 3.375 N/A GLN 83.A N GLY 79.A O no hydrogen 2.995 N/A ILE 84.A N ARG 80.A O no hydrogen 3.030 N/A ALA 85.A N GLU 81.A O no hydrogen 2.975 N/A LEU 86.A N ASP 82.A O no hydrogen 2.825 N/A LEU 87.A N GLN 83.A O no hydrogen 3.039 N/A LYS 88.A N ILE 84.A O no hydrogen 2.758 N/A ALA 89.A N ALA 85.A O no hydrogen 3.202 N/A SER 90.A N LEU 86.A O no hydrogen 3.074 N/A SER 90.A N LEU 87.A O no hydrogen 3.304 N/A SER 90.A OG LEU 86.A O no hydrogen 2.734 N/A THR 91.A N LEU 87.A O no hydrogen 3.054 N/A THR 91.A OG1 LEU 87.A O no hydrogen 2.655 N/A ILE 94.A N SER 90.A O no hydrogen 2.848 N/A MET 95.A N THR 91.A O no hydrogen 2.882 N/A LEU 96.A N ILE 92.A O no hydrogen 3.171 N/A LEU 97.A N GLU 93.A O no hydrogen 3.068 N/A GLU 98.A N ILE 94.A O no hydrogen 2.806 N/A THR 99.A N MET 95.A O no hydrogen 2.947 N/A THR 99.A OG1 MET 95.A O no hydrogen 2.743 N/A ALA 100.A N LEU 96.A O no hydrogen 3.153 N/A ARG 101.A N LEU 97.A O no hydrogen 3.162 N/A ARG 101.A NE GLU 98.A OE1 no hydrogen 2.963 N/A ARG 101.A NH1 ASP 150.A OD1 no hydrogen 2.845 N/A ARG 101.A NH2 GLU 98.A OE1 no hydrogen 3.420 N/A ARG 101.A NH2 GLU 98.A OE2 no hydrogen 3.037 N/A ARG 102.A N GLU 98.A O no hydrogen 3.263 N/A ARG 102.A N THR 99.A O no hydrogen 3.107 N/A ARG 102.A NH2 LEU 113.A O no hydrogen 3.031 N/A TYR 103.A N ALA 100.A O no hydrogen 3.240 N/A ASN 104.A N CYS 109.A O no hydrogen 3.046 N/A GLU 106.A N ASN 104.A OD1 no hydrogen 2.841 N/A THR 107.A N ASN 104.A OD1 no hydrogen 3.102 N/A GLU 108.A N ASN 104.A O no hydrogen 2.758 N/A CYS 109.A N THR 107.A OG1 no hydrogen 3.231 N/A CYS 109.A SG THR 107.A O no hydrogen 3.346 N/A ILE 110.A N TYR 118.A O no hydrogen 2.858 N/A THR 111.A N ARG 102.A O no hydrogen 3.045 N/A PHE 112.A N PHE 116.A O no hydrogen 2.872 N/A THR 117.A OG1 ASP 115.A O no hydrogen 3.105 N/A TYR 118.A N ILE 110.A O no hydrogen 2.844 N/A TYR 118.A OH HIS 53.A NE2 no hydrogen 2.754 N/A SER 119.A N ASP 122.A OD2 no hydrogen 2.856 N/A SER 119.A OG ASP 122.A OD2 no hydrogen 2.854 N/A LYS 120.A NZ HIS 124.A NE2 no hydrogen 3.400 N/A ASP 122.A N SER 119.A O no hydrogen 2.957 N/A PHE 123.A N LYS 120.A O no hydrogen 3.055 N/A HIS 124.A N LYS 120.A O no hydrogen 3.274 N/A ARG 125.A N ASP 121.A O no hydrogen 2.793 N/A ARG 125.A NH1 ASP 122.A OD1 no hydrogen 3.104 N/A ALA 126.A N PHE 123.A O no hydrogen 3.312 N/A GLY 127.A N HIS 124.A O no hydrogen 2.901 N/A LEU 128.A N PHE 123.A O no hydrogen 3.212 N/A ASN 134.A N VAL 130.A O no hydrogen 3.461 N/A ILE 136.A N PHE 132.A O no hydrogen 3.206 N/A PHE 137.A N ILE 133.A O no hydrogen 3.200 N/A GLU 138.A N ASN 134.A O no hydrogen 2.971 N/A PHE 139.A N PRO 135.A O no hydrogen 2.993 N/A SER 140.A N ILE 136.A O no hydrogen 3.107 N/A SER 140.A OG ILE 136.A O no hydrogen 2.707 N/A ARG 141.A N PHE 137.A O no hydrogen 3.055 N/A ALA 142.A N GLU 138.A O no hydrogen 3.039 N/A MET 143.A N PHE 139.A O no hydrogen 2.993 N/A ARG 144.A N SER 140.A O no hydrogen 3.112 N/A ARG 145.A N ARG 141.A O no hydrogen 3.388 N/A LEU 146.A N MET 143.A O no hydrogen 3.276 N/A GLY 147.A N ARG 144.A O no hydrogen 2.917 N/A ASP 149.A N GLU 152.A OE1 no hydrogen 3.007 N/A ALA 151.A N ASP 149.A OD1 no hydrogen 3.062 N/A GLU 152.A N ASP 149.A OD1 no hydrogen 3.155 N/A TYR 153.A N ASP 149.A O no hydrogen 3.176 N/A ALA 154.A N ASP 150.A O no hydrogen 3.181 N/A LEU 155.A N ALA 151.A O no hydrogen 3.023 N/A LEU 156.A N GLU 152.A O no hydrogen 2.962 N/A ILE 157.A N TYR 153.A O no hydrogen 2.916 N/A ALA 158.A N ALA 154.A O no hydrogen 3.037 N/A ILE 159.A N LEU 155.A O no hydrogen 2.920 N/A ASN 160.A N LEU 156.A O no hydrogen 2.868 N/A ASN 160.A ND2 GLU 93.A OE2 no hydrogen 2.837 N/A ILE 161.A N ILE 157.A O no hydrogen 2.852 N/A PHE 162.A N ALA 158.A O no hydrogen 3.193 N/A SER 163.A OG ASN 160.A O no hydrogen 2.701 N/A ARG 166.A NH1 GLU 93.A OE1 no hydrogen 2.965 N/A ARG 166.A NH1 GLU 93.A OE2 no hydrogen 3.563 N/A ARG 166.A NH2 GLU 93.A OE2 no hydrogen 3.180 N/A ARG 166.A NH2 ASN 160.A O no hydrogen 3.379 N/A GLN 170.A N ASP 82.A OD1 no hydrogen 2.777 N/A GLN 170.A NE2 GLU 81.A OE2 no hydrogen 3.391 N/A GLU 171.A N ASP 82.A OD2 no hydrogen 3.014 N/A ARG 174.A N GLU 171.A O no hydrogen 3.204 N/A ARG 174.A NH1 GLU 171.A OE1 no hydrogen 2.809 N/A ARG 174.A NH2 GLN 77.A O no hydrogen 2.770 N/A VAL 175.A N GLU 171.A O no hydrogen 3.280 N/A GLU 176.A N PRO 172.A O no hydrogen 2.849 N/A ALA 177.A N GLY 173.A O no hydrogen 3.093 N/A LEU 178.A N ARG 174.A O no hydrogen 2.995 N/A GLN 179.A N VAL 175.A O no hydrogen 3.200 N/A GLN 179.A NE2 ILE 159.A O no hydrogen 2.759 N/A GLN 180.A N ALA 177.A O no hydrogen 3.389 N/A GLN 180.A NE2 GLU 176.A O no hydrogen 2.879 N/A TYR 182.A N GLN 179.A O no hydrogen 3.194 N/A TYR 182.A OH PRO 73.A O no hydrogen 2.611 N/A VAL 183.A N GLN 179.A O no hydrogen 3.228 N/A GLU 184.A N GLN 180.A O no hydrogen 2.929 N/A ALA 185.A N PRO 181.A O no hydrogen 2.981 N/A LEU 186.A N TYR 182.A O no hydrogen 2.924 N/A LEU 187.A N VAL 183.A O no hydrogen 2.999 N/A SER 188.A N GLU 184.A O no hydrogen 3.045 N/A SER 188.A OG GLN 7.A OE1 no hydrogen 3.141 N/A SER 188.A OG GLU 184.A O no hydrogen 3.122 N/A TYR 189.A N ALA 185.A O no hydrogen 2.973 N/A TYR 189.A OH ASP 149.A OD1 no hydrogen 3.273 N/A TYR 189.A OH ASP 149.A OD2 no hydrogen 2.703 N/A THR 190.A N LEU 186.A O no hydrogen 2.964 N/A THR 190.A OG1 LEU 186.A O no hydrogen 2.950 N/A THR 190.A OG1 LEU 187.A O no hydrogen 3.047 N/A ARG 191.A N LEU 187.A O no hydrogen 3.059 N/A ILE 192.A N SER 188.A O no hydrogen 3.131 N/A LYS 193.A N TYR 189.A O no hydrogen 2.885 N/A LYS 193.A NZ GLY 147.A O no hydrogen 3.387 N/A LYS 193.A NZ ASP 149.A OD2 no hydrogen 2.809 N/A LYS 193.A NZ GLU 152.A OE1 no hydrogen 3.007 N/A ARG 194.A N THR 190.A O no hydrogen 2.835 N/A ARG 194.A NH1 LYS 193.A O no hydrogen 2.850 N/A ASP 197.A N ARG 194.A O no hydrogen 3.208 N/A ARG 200.A NE LEU 146.A O no hydrogen 2.848 N/A ARG 200.A NH1 GLU 152.A OE2 no hydrogen 2.792 N/A ARG 200.A NH2 LEU 146.A O no hydrogen 3.183 N/A ARG 200.A NH2 GLY 147.A O no hydrogen 3.013 N/A ARG 200.A NH2 GLU 152.A OE1 no hydrogen 2.853 N/A ARG 200.A NH2 GLU 152.A OE2 no hydrogen 3.133 N/A ARG 203.A N LEU 199.A O no hydrogen 3.051 N/A ARG 203.A NH2 ASP 197.A OD1 no hydrogen 3.083 N/A MET 204.A N ARG 200.A O no hydrogen 3.012 N/A LEU 205.A N PHE 201.A O no hydrogen 3.054 N/A MET 206.A N PRO 202.A O no hydrogen 2.884 N/A LYS 207.A N ARG 203.A O no hydrogen 3.230 N/A LYS 207.A N MET 204.A O no hydrogen 2.996 N/A LEU 208.A N LEU 205.A O no hydrogen 3.219 N/A VAL 209.A N MET 206.A O no hydrogen 3.031 N/A SER 210.A OG LYS 207.A O no hydrogen 3.274 N/A LEU 211.A N LYS 207.A O no hydrogen 2.963 N/A ARG 212.A N LEU 208.A O no hydrogen 2.954 N/A ARG 212.A NE GLU 93.A OE2 no hydrogen 3.490 N/A ARG 212.A NH1 ASP 165.A OD1 no hydrogen 3.483 N/A THR 213.A N VAL 209.A O no hydrogen 3.375 N/A LEU 214.A N SER 210.A O no hydrogen 3.010 N/A SER 215.A N LEU 211.A O no hydrogen 3.085 N/A SER 215.A OG GLU 93.A OE1 no hydrogen 3.566 N/A SER 216.A N ARG 212.A O no hydrogen 3.255 N/A SER 216.A OG ARG 212.A O no hydrogen 3.459 N/A SER 216.A OG THR 213.A O no hydrogen 2.767 N/A VAL 217.A N THR 213.A O no hydrogen 3.080 N/A HIS 218.A N SER 215.A O no hydrogen 3.253 N/A SER 219.A N SER 215.A O no hydrogen 3.431 N/A SER 219.A OG SER 215.A O no hydrogen 3.430 N/A GLN 221.A NE2 SER 219.A O no hydrogen 3.503 N/A ALA 224.A N GLN 221.A O no hydrogen 2.858 N/A SER 233.A N PRO 229.A O no hydrogen 2.997 N/A SER 233.A OG PRO 229.A O no hydrogen 2.747 N/A GLU 234.A N PRO 230.A O no hydrogen 3.097 N/A ILE 235.A N LEU 231.A O no hydrogen 3.282 N/A TRP 236.A N LEU 232.A O no hydrogen 3.156 N/A