Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pw8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ASN 1.A O no hydrogen 2.761 N/A TYR 6.A N GLN 2.A O no hydrogen 3.122 N/A THR 7.A N LEU 3.A O no hydrogen 2.960 N/A THR 7.A OG1 LEU 3.A O no hydrogen 2.776 N/A LEU 8.A N THR 4.A O no hydrogen 2.945 N/A ARG 9.A N ALA 5.A O no hydrogen 3.079 N/A ARG 9.A NH1 ASP 172.A OD1 no hydrogen 3.401 N/A ARG 9.A NH1 ASP 175.A OD2 no hydrogen 3.249 N/A ARG 9.A NH2 ASP 172.A OD1 no hydrogen 3.137 N/A LEU 10.A N TYR 6.A O no hydrogen 3.128 N/A GLY 11.A N THR 7.A O no hydrogen 2.812 N/A ASP 12.A N LEU 8.A O no hydrogen 2.710 N/A ASN 13.A N ARG 9.A O no hydrogen 2.981 N/A CYS 14.A N LEU 10.A O no hydrogen 3.399 N/A CYS 14.A SG LEU 10.A O no hydrogen 3.248 N/A CYS 14.A SG GLN 47.A OE1 no hydrogen 3.414 N/A LEU 15.A N GLY 11.A O no hydrogen 3.025 N/A VAL 16.A N ASP 12.A O no hydrogen 2.945 N/A LEU 17.A N ASN 13.A O no hydrogen 3.234 N/A SER 18.A N CYS 14.A O no hydrogen 2.789 N/A SER 18.A OG GLY 41.A O no hydrogen 2.983 N/A GLN 19.A N LEU 15.A O no hydrogen 3.100 N/A ARG 20.A N VAL 16.A O no hydrogen 3.189 N/A ARG 20.A NE GLU 83.A O no hydrogen 3.201 N/A ARG 20.A NE GLN 84.A O no hydrogen 3.179 N/A ARG 20.A NH1 GLU 23.A OE2 no hydrogen 2.801 N/A ARG 20.A NH2 GLU 83.A O no hydrogen 2.800 N/A LEU 21.A N LEU 17.A O no hydrogen 3.195 N/A GLY 22.A N SER 18.A O no hydrogen 3.129 N/A GLU 23.A N ARG 20.A O no hydrogen 3.205 N/A TRP 24.A N LEU 21.A O no hydrogen 3.013 N/A TRP 24.A NE1 THR 92.A OG1 no hydrogen 2.780 N/A CYS 25.A N GLY 22.A O no hydrogen 3.255 N/A GLY 26.A N ASP 34.A OD1 no hydrogen 2.931 N/A HIS 27.A N TRP 24.A O no hydrogen 2.809 N/A ASP 34.A N GLU 30.A O no hydrogen 3.046 N/A LEU 35.A N LEU 31.A O no hydrogen 2.873 N/A ALA 36.A N GLU 32.A O no hydrogen 2.737 N/A LEU 37.A N ILE 33.A O no hydrogen 2.715 N/A ALA 38.A N ASP 34.A O no hydrogen 2.893 N/A ASN 39.A N LEU 35.A O no hydrogen 3.108 N/A ILE 40.A N ALA 36.A O no hydrogen 2.993 N/A GLY 41.A N LEU 37.A O no hydrogen 3.099 N/A LEU 42.A N ALA 38.A O no hydrogen 3.009 N/A ASP 43.A N ASN 39.A O no hydrogen 2.948 N/A LEU 44.A N ILE 40.A O no hydrogen 2.948 N/A LEU 45.A N GLY 41.A O no hydrogen 2.850 N/A GLY 46.A N LEU 42.A O no hydrogen 2.904 N/A GLN 47.A N ASP 43.A O no hydrogen 2.856 N/A GLN 47.A NE2 GLU 128.A OE1 no hydrogen 3.528 N/A ALA 48.A N LEU 44.A O no hydrogen 2.844 N/A ARG 49.A N LEU 45.A O no hydrogen 2.910 N/A ARG 49.A NE GLU 64.A OE1 no hydrogen 3.017 N/A ARG 49.A NE GLU 64.A OE2 no hydrogen 2.871 N/A ARG 49.A NH2 GLU 64.A OE2 no hydrogen 3.152 N/A ASN 50.A N GLY 46.A O no hydrogen 3.343 N/A ASN 50.A N GLN 47.A O no hydrogen 3.205 N/A PHE 51.A N GLN 47.A O no hydrogen 3.178 N/A LEU 52.A N ALA 48.A O no hydrogen 2.921 N/A SER 53.A N ARG 49.A O no hydrogen 2.875 N/A SER 53.A OG ARG 49.A O no hydrogen 3.032 N/A SER 53.A OG GLU 64.A OE1 no hydrogen 3.289 N/A TYR 54.A N ASN 50.A O no hydrogen 2.975 N/A TYR 54.A OH ASP 115.A OD1 no hydrogen 2.622 N/A ALA 55.A N PHE 51.A O no hydrogen 2.885 N/A ALA 56.A N LEU 52.A O no hydrogen 2.820 N/A GLU 57.A N TYR 54.A O no hydrogen 2.578 N/A LEU 58.A N TYR 54.A O no hydrogen 2.932 N/A ALA 59.A N ALA 55.A O no hydrogen 2.994 N/A GLY 60.A N ALA 56.A O no hydrogen 3.097 N/A GLY 60.A N GLU 57.A O no hydrogen 3.047 N/A ASP 63.A N THR 66.A OG1 no hydrogen 3.168 N/A ASP 65.A N ASP 63.A OD1 no hydrogen 3.140 N/A THR 66.A N ASP 63.A OD1 no hydrogen 3.394 N/A THR 66.A OG1 ASP 63.A O no hydrogen 3.214 N/A LEU 67.A N ASP 63.A O no hydrogen 3.158 N/A ALA 68.A N GLU 64.A O no hydrogen 3.084 N/A THR 70.A N THR 66.A O no hydrogen 2.867 N/A THR 70.A OG1 THR 66.A O no hydrogen 2.805 N/A ARG 71.A NE LEU 67.A O no hydrogen 2.665 N/A ARG 71.A NH1 ASP 12.A OD2 no hydrogen 3.451 N/A ARG 71.A NH2 ASP 12.A OD1 no hydrogen 2.869 N/A ARG 71.A NH2 ASP 12.A OD2 no hydrogen 3.313 N/A ARG 71.A NH2 LEU 67.A O no hydrogen 2.997 N/A ASP 72.A N GLN 75.A OE1 no hydrogen 2.839 N/A ARG 74.A N ASP 72.A OD1 no hydrogen 3.225 N/A ARG 74.A NH1 GLY 222.A O no hydrogen 3.023 N/A GLN 75.A N ASP 72.A O no hydrogen 2.839 N/A PHE 76.A N ASP 72.A O no hydrogen 3.322 N/A SER 77.A N ASP 12.A OD2 no hydrogen 3.112 N/A SER 77.A OG ASP 12.A OD2 no hydrogen 3.147 N/A ASN 78.A ND2 LEU 79.A O no hydrogen 2.708 N/A ASN 78.A ND2 GLU 83.A OE2 no hydrogen 2.877 N/A LEU 79.A N ASN 13.A OD1 no hydrogen 2.854 N/A LEU 80.A N GLU 167.A OE1 no hydrogen 2.991 N/A VAL 82.A N LEU 79.A O no hydrogen 3.123 N/A GLU 83.A N LEU 80.A O no hydrogen 3.249 N/A GLN 84.A NE2 LEU 80.A O no hydrogen 3.029 N/A ASN 86.A ND2 ARG 20.A O no hydrogen 2.761 N/A ASN 88.A N ASP 91.A OD2 no hydrogen 3.162 N/A ASP 91.A N ASN 88.A OD1 no hydrogen 3.003 N/A THR 92.A N ASN 88.A O no hydrogen 3.261 N/A THR 92.A OG1 ASN 86.A O no hydrogen 3.084 N/A ILE 93.A N PHE 89.A O no hydrogen 3.036 N/A ALA 94.A N ALA 90.A O no hydrogen 2.964 N/A ARG 95.A N ASP 91.A O no hydrogen 3.410 N/A ARG 95.A NH1 ASN 86.A OD1 no hydrogen 3.355 N/A ARG 95.A NH2 ASN 86.A OD1 no hydrogen 2.693 N/A GLN 96.A N THR 92.A O no hydrogen 3.089 N/A GLN 96.A NE2 ASP 100.A OD1 no hydrogen 2.766 N/A GLN 96.A NE2 ASP 100.A OD2 no hydrogen 3.351 N/A TYR 97.A N ILE 93.A O no hydrogen 2.844 N/A TYR 97.A OH GLU 197.A OE2 no hydrogen 2.813 N/A PHE 98.A N ALA 94.A O no hydrogen 3.190 N/A ILE 99.A N ARG 95.A O no hydrogen 3.037 N/A ASP 100.A N GLN 96.A O no hydrogen 2.756 N/A ALA 101.A N TYR 97.A O no hydrogen 2.971 N/A TRP 102.A N PHE 98.A O no hydrogen 3.422 N/A TRP 102.A NE1 LEU 168.A O no hydrogen 3.078 N/A HIS 103.A N ILE 99.A O no hydrogen 2.726 N/A VAL 104.A N ASP 100.A O no hydrogen 2.684 N/A ALA 105.A N ALA 101.A O no hydrogen 3.060 N/A LEU 106.A N TRP 102.A O no hydrogen 2.786 N/A PHE 107.A N HIS 103.A O no hydrogen 2.799 N/A THR 108.A N VAL 104.A O no hydrogen 3.135 N/A THR 108.A OG1 VAL 104.A O no hydrogen 3.024 N/A ARG 109.A N LEU 106.A O no hydrogen 3.054 N/A ARG 109.A NH1 THR 189.A OG1 no hydrogen 2.783 N/A ARG 109.A NH2 THR 189.A OG1 no hydrogen 2.769 N/A LEU 110.A N PHE 107.A O no hydrogen 3.253 N/A MET 111.A N PHE 107.A O no hydrogen 3.252 N/A GLU 112.A N ARG 109.A O no hydrogen 3.389 N/A SER 113.A N LEU 110.A O no hydrogen 2.986 N/A SER 113.A OG ASP 115.A O no hydrogen 3.349 N/A SER 113.A OG ILE 183.A O no hydrogen 2.783 N/A ARG 114.A N GLY 182.A O no hydrogen 3.132 N/A ARG 114.A NH1 GLU 181.A O no hydrogen 3.512 N/A ASP 115.A N SER 113.A OG no hydrogen 3.019 N/A LEU 118.A N ASP 115.A OD2 no hydrogen 2.738 N/A ALA 119.A N ASP 115.A O no hydrogen 3.185 N/A ALA 120.A N PRO 116.A O no hydrogen 2.680 N/A ILE 121.A N GLN 117.A O no hydrogen 2.853 N/A SER 122.A N LEU 118.A O no hydrogen 2.986 N/A SER 122.A OG LEU 118.A O no hydrogen 2.388 N/A SER 122.A OG ALA 119.A O no hydrogen 3.508 N/A ALA 123.A N ALA 119.A O no hydrogen 2.963 N/A LYS 124.A N ALA 120.A O no hydrogen 3.430 N/A ALA 125.A N ILE 121.A O no hydrogen 3.018 N/A ILE 126.A N SER 122.A O no hydrogen 2.806 N/A ALA 129.A N ALA 125.A O no hydrogen 2.910 N/A ARG 130.A N ILE 126.A O no hydrogen 3.149 N/A HIS 132.A N GLU 128.A O no hydrogen 2.998 N/A HIS 132.A NE2 ASP 43.A OD2 no hydrogen 2.957 N/A LEU 133.A N ALA 129.A O no hydrogen 2.879 N/A ARG 134.A N ARG 130.A O no hydrogen 3.125 N/A PHE 135.A N TYR 131.A O no hydrogen 3.078 N/A SER 136.A N HIS 132.A O no hydrogen 2.769 N/A SER 136.A OG ASP 100.A OD2 no hydrogen 2.811 N/A SER 136.A OG HIS 132.A O no hydrogen 2.839 N/A SER 136.A OG LEU 133.A O no hydrogen 3.429 N/A ARG 137.A N LEU 133.A O no hydrogen 2.845 N/A ARG 137.A NH1 GLU 197.A OE2 no hydrogen 2.729 N/A ARG 137.A NH2 GLU 204.A OE2 no hydrogen 2.749 N/A GLY 138.A N ARG 134.A O no hydrogen 2.823 N/A TRP 139.A N PHE 135.A O no hydrogen 3.132 N/A LEU 140.A N SER 136.A O no hydrogen 3.154 N/A GLU 141.A N ARG 137.A O no hydrogen 3.158 N/A ARG 142.A N GLY 138.A O no hydrogen 3.369 N/A LEU 143.A N TRP 139.A O no hydrogen 2.954 N/A GLY 144.A N LEU 140.A O no hydrogen 3.054 N/A ASN 145.A N GLU 141.A O no hydrogen 2.829 N/A THR 147.A N SER 150.A OG no hydrogen 3.092 N/A SER 150.A N THR 147.A OG1 no hydrogen 3.319 N/A SER 150.A OG LEU 143.A O no hydrogen 2.396 N/A SER 150.A OG THR 147.A O no hydrogen 3.078 N/A GLY 151.A N THR 147.A O no hydrogen 2.929 N/A GLN 152.A N ASP 148.A O no hydrogen 3.085 N/A LYS 153.A N VAL 149.A O no hydrogen 2.887 N/A MET 154.A N SER 150.A O no hydrogen 2.895 N/A GLN 155.A N GLY 151.A O no hydrogen 2.906 N/A GLN 155.A NE2 GLN 155.A O no hydrogen 3.067 N/A GLN 155.A NE2 ASN 159.A OD1 no hydrogen 2.939 N/A GLN 155.A NE2 ASN 208.A O no hydrogen 3.488 N/A GLN 156.A N GLN 152.A O no hydrogen 3.112 N/A ALA 157.A N LYS 153.A O no hydrogen 2.820 N/A ILE 158.A N MET 154.A O no hydrogen 3.168 N/A ASN 159.A N GLN 155.A O no hydrogen 3.064 N/A LYS 160.A N GLN 156.A O no hydrogen 2.947 N/A TRP 162.A N ASN 159.A O no hydrogen 3.415 N/A ARG 163.A NH1 LYS 160.A O no hydrogen 2.586 N/A PHE 164.A N LEU 161.A O no hydrogen 3.070 N/A THR 165.A N TRP 162.A O no hydrogen 2.914 N/A THR 165.A OG1 TRP 162.A O no hydrogen 2.674 N/A GLU 167.A N PHE 164.A O no hydrogen 3.180 N/A LEU 168.A N THR 165.A O no hydrogen 3.365 N/A ASP 172.A N ASP 175.A OD2 no hydrogen 2.888 N/A ILE 174.A N ASP 172.A OD1 no hydrogen 2.811 N/A ILE 176.A N ASP 172.A O no hydrogen 2.978 N/A ALA 177.A N GLU 173.A O no hydrogen 3.067 N/A LEU 178.A N ILE 174.A O no hydrogen 3.157 N/A SER 179.A N ASP 175.A O no hydrogen 3.229 N/A SER 179.A N ILE 176.A O no hydrogen 3.090 N/A GLU 180.A N ILE 176.A O no hydrogen 2.974 N/A GLY 182.A N SER 179.A O no hydrogen 2.958 N/A ILE 183.A N LEU 178.A O no hydrogen 3.063 N/A ALA 184.A N LEU 178.A O no hydrogen 2.992 N/A ARG 188.A N ASP 186.A OD1 no hydrogen 2.621 N/A ARG 188.A NE ASP 186.A OD1 no hydrogen 3.324 N/A ARG 188.A NE ASP 186.A OD2 no hydrogen 3.438 N/A ARG 188.A NH2 ASP 186.A OD2 no hydrogen 2.955 N/A THR 189.A N ASP 186.A O no hydrogen 2.975 N/A THR 189.A OG1 ASP 186.A O no hydrogen 2.849 N/A LEU 190.A N PRO 187.A O no hydrogen 3.071 N/A ARG 191.A N ARG 188.A O no hydrogen 3.361 N/A TRP 194.A N LEU 190.A O no hydrogen 3.128 N/A TRP 194.A NE1 PHE 98.A O no hydrogen 2.896 N/A GLU 195.A N ARG 191.A O no hydrogen 2.836 N/A ALA 196.A N ALA 192.A O no hydrogen 2.979 N/A GLU 197.A N ALA 193.A O no hydrogen 3.285 N/A VAL 198.A N TRP 194.A O no hydrogen 2.887 N/A PHE 199.A N GLU 195.A O no hydrogen 2.876 N/A GLY 201.A N GLU 197.A O no hydrogen 2.984 N/A ILE 202.A N VAL 198.A O no hydrogen 2.809 N/A ASN 203.A N PHE 199.A O no hydrogen 3.148 N/A GLU 204.A N ALA 200.A O no hydrogen 2.789 N/A ALA 205.A N GLY 201.A O no hydrogen 3.065 N/A THR 206.A N ASN 203.A O no hydrogen 2.955 N/A THR 206.A OG1 ALA 205.A O no hydrogen 2.478 N/A LEU 207.A N ILE 202.A O no hydrogen 3.065 N/A ASN 208.A N GLN 155.A OE1 no hydrogen 2.970 N/A ASN 208.A ND2 GLN 155.A OE1 no hydrogen 3.017 N/A TYR 215.A N ARG 163.A O no hydrogen 3.239 N/A ARG 216.A N ARG 163.A O no hydrogen 3.100 N/A ARG 216.A NH1 THR 217.A O no hydrogen 3.361 N/A GLY 218.A N GLU 167.A OE2 no hydrogen 3.319 N/A LYS 220.A N GLU 167.A OE2 no hydrogen 3.113 N/A LYS 220.A NZ ASP 175.A OD2 no hydrogen 3.100 N/A LYS 221.A N GLY 218.A O no hydrogen 2.790 N/A GLY 222.A N GLY 219.A O no hydrogen 3.088 N/A LEU 223.A N GLY 218.A O no hydrogen 3.224 N/A HIS 224.A ND1 GLU 83.A OE2 no hydrogen 2.856 N/A HIS 224.A NE2 PHE 76.A O no hydrogen 2.703 N/A THR 225.A N GLU 83.A OE1 no hydrogen 2.825 N/A THR 225.A OG1 GLU 83.A OE1 no hydrogen 2.662 N/A HIS 227.A N THR 225.A OG1 no hydrogen 3.140 N/A LEU 232.A N LEU 228.A O no hydrogen 2.858 N/A ALA 233.A N GLY 229.A O no hydrogen 3.071 N/A GLU 234.A N PRO 230.A O no hydrogen 3.212 N/A MET 235.A N MET 231.A O no hydrogen 2.769 N/A GLN 236.A N LEU 232.A O no hydrogen 2.950 N/A GLN 236.A NE2 ALA 68.A O no hydrogen 3.180 N/A GLN 236.A NE2 ARG 71.A O no hydrogen 2.871 N/A ARG 240.A N GLN 236.A O no hydrogen 2.925 N/A ARG 240.A NE GLN 236.A OE1 no hydrogen 3.057 N/A ARG 240.A NH2 GLN 236.A OE1 no hydrogen 2.686 N/A VAL 241.A N TYR 237.A O no hydrogen 2.966 N/A LEU 242.A N LEU 238.A O no hydrogen 2.797 N/A