Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pwy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 6.A NZ THR 78.A O no hydrogen 3.010 N/A LYS 7.A NZ GLU 31.A OE2 no hydrogen 2.881 N/A ARG 8.A N ASP 11.A OD2 no hydrogen 3.148 N/A ASP 11.A N ARG 8.A O no hydrogen 2.944 N/A PHE 12.A N PRO 9.A O no hydrogen 3.200 N/A LYS 13.A N ARG 30.A O no hydrogen 2.720 N/A GLY 15.A N LEU 28.A O no hydrogen 2.559 N/A LEU 18.A N VAL 26.A O no hydrogen 2.813 N/A GLY 19.A N VAL 26.A O no hydrogen 3.233 N/A GLY 21.A N SER 24.A O no hydrogen 2.994 N/A THR 25.A N ILE 42.A O no hydrogen 2.754 N/A VAL 26.A N GLY 19.A O no hydrogen 2.808 N/A VAL 27.A N ILE 40.A O no hydrogen 2.969 N/A LEU 28.A N LYS 16.A O no hydrogen 3.036 N/A ALA 29.A N TYR 38.A O no hydrogen 2.880 N/A ARG 30.A N LYS 13.A O no hydrogen 2.984 N/A ARG 30.A NH1 SER 35.A OG no hydrogen 3.325 N/A GLU 31.A N ARG 36.A O no hydrogen 2.939 N/A LEU 32.A N ASP 11.A O no hydrogen 2.748 N/A THR 34.A OG1 GLU 31.A OE1 no hydrogen 2.636 N/A SER 35.A N GLU 31.A O no hydrogen 2.862 N/A ARG 36.A N THR 34.A OG1 no hydrogen 3.249 N/A ARG 36.A NH1 TYR 38.A OH no hydrogen 3.260 N/A TYR 38.A N ALA 29.A O no hydrogen 2.898 N/A ALA 39.A N LEU 89.A O no hydrogen 2.795 N/A ILE 40.A N VAL 27.A O no hydrogen 2.951 N/A LYS 41.A N PHE 87.A O no hydrogen 2.905 N/A LYS 41.A NZ GLU 60.A OE1 no hydrogen 3.469 N/A LYS 41.A NZ GLU 60.A OE2 no hydrogen 2.693 N/A ILE 42.A N THR 25.A O no hydrogen 2.609 N/A LEU 43.A N LEU 85.A O no hydrogen 2.882 N/A LYS 45.A N GLU 83.A O no hydrogen 2.774 N/A LYS 45.A NZ GLN 80.A OE1 no hydrogen 2.959 N/A LYS 45.A NZ ASP 81.A O no hydrogen 3.270 N/A LYS 45.A NZ ASP 82.A O no hydrogen 3.015 N/A ILE 48.A N GLU 44.A O no hydrogen 3.014 N/A ILE 49.A N LYS 45.A O no hydrogen 2.859 N/A LYS 50.A N ARG 46.A O no hydrogen 3.347 N/A ASN 52.A N ILE 49.A O no hydrogen 3.425 N/A LYS 53.A N ILE 48.A O no hydrogen 3.146 N/A VAL 57.A N LYS 53.A O no hydrogen 3.016 N/A THR 58.A N VAL 54.A O no hydrogen 3.212 N/A THR 58.A OG1 VAL 54.A O no hydrogen 2.696 N/A ARG 59.A N PRO 55.A O no hydrogen 2.839 N/A GLU 60.A N TYR 56.A O no hydrogen 3.103 N/A ARG 61.A N VAL 57.A O no hydrogen 3.177 N/A ASP 62.A N THR 58.A O no hydrogen 2.917 N/A VAL 63.A N ARG 59.A O no hydrogen 3.016 N/A MET 64.A N GLU 60.A O no hydrogen 3.288 N/A SER 65.A N ARG 61.A O no hydrogen 3.133 N/A SER 65.A OG ARG 61.A O no hydrogen 2.882 N/A ARG 66.A N ASP 62.A O no hydrogen 3.292 N/A LEU 67.A N VAL 63.A O no hydrogen 3.043 N/A ASP 68.A N TYR 125.A OH no hydrogen 2.848 N/A PHE 71.A N HIS 69.A ND1 no hydrogen 3.101 N/A PHE 72.A N HIS 69.A O no hydrogen 3.095 N/A VAL 73.A N ILE 151.A O no hydrogen 3.284 N/A TYR 76.A N GLY 88.A O no hydrogen 2.692 N/A PHE 79.A N TYR 86.A O no hydrogen 3.184 N/A ASP 81.A N LYS 84.A O no hydrogen 3.274 N/A GLU 83.A N ASP 81.A OD1 no hydrogen 3.349 N/A LYS 84.A N ASP 81.A OD1 no hydrogen 3.252 N/A LEU 85.A N LEU 43.A O no hydrogen 2.693 N/A TYR 86.A N PHE 79.A O no hydrogen 2.785 N/A TYR 86.A OH ASP 81.A OD2 no hydrogen 2.912 N/A PHE 87.A N LYS 41.A O no hydrogen 2.739 N/A GLY 88.A N PHE 77.A O no hydrogen 2.786 N/A LEU 89.A N ALA 39.A O no hydrogen 3.121 N/A SER 90.A N LYS 74.A O no hydrogen 3.161 N/A ASN 94.A N LEU 143.A O no hydrogen 2.953 N/A ASN 94.A ND2 ASN 144.A O no hydrogen 2.554 N/A ASN 94.A ND2 GLU 145.A O no hydrogen 3.169 N/A GLY 95.A N LEU 143.A O no hydrogen 3.351 N/A LEU 97.A N PRO 138.A O no hydrogen 3.232 N/A LEU 97.A N ILE 141.A O no hydrogen 2.827 N/A LEU 98.A N PRO 138.A O no hydrogen 3.233 N/A LYS 99.A NZ ASN 94.A O no hydrogen 3.008 N/A TYR 100.A OH ASN 94.A OD1 no hydrogen 2.870 N/A ILE 101.A N LEU 97.A O no hydrogen 2.790 N/A ARG 102.A N LEU 98.A O no hydrogen 2.964 N/A LYS 103.A N LYS 99.A O no hydrogen 3.040 N/A PHE 107.A N LEU 197.A O no hydrogen 2.837 N/A CYS 111.A SG ASP 108.A OD1 no hydrogen 3.221 N/A CYS 111.A SG LYS 279.A O no hydrogen 3.351 N/A THR 112.A N ASP 108.A O no hydrogen 2.891 N/A THR 112.A OG1 ASP 108.A O no hydrogen 2.830 N/A ARG 113.A N GLU 109.A O no hydrogen 3.097 N/A ARG 113.A NE PHE 263.A O no hydrogen 3.045 N/A PHE 114.A N THR 110.A O no hydrogen 2.865 N/A TYR 115.A N CYS 111.A O no hydrogen 3.036 N/A TYR 115.A OH MET 147.A O no hydrogen 3.010 N/A THR 116.A N THR 112.A O no hydrogen 2.733 N/A THR 116.A OG1 THR 112.A O no hydrogen 2.583 N/A ALA 117.A N ARG 113.A O no hydrogen 2.970 N/A GLU 118.A N PHE 114.A O no hydrogen 3.158 N/A ILE 119.A N TYR 115.A O no hydrogen 3.378 N/A VAL 120.A N THR 116.A O no hydrogen 3.045 N/A SER 121.A N ALA 117.A O no hydrogen 2.809 N/A ALA 122.A N GLU 118.A O no hydrogen 2.969 N/A LEU 123.A N ILE 119.A O no hydrogen 2.736 N/A GLU 124.A N VAL 120.A O no hydrogen 2.910 N/A LEU 126.A N ALA 122.A O no hydrogen 2.918 N/A HIS 127.A N LEU 123.A O no hydrogen 2.773 N/A HIS 127.A NE2 ASP 186.A OD2 no hydrogen 2.955 N/A GLY 128.A N GLU 124.A O no hydrogen 3.028 N/A LYS 129.A N TYR 125.A O no hydrogen 2.983 N/A GLY 130.A N HIS 127.A O no hydrogen 2.978 N/A ILE 131.A N LEU 126.A O no hydrogen 3.029 N/A ILE 132.A N LYS 158.A O no hydrogen 2.837 N/A HIS 133.A N ASP 186.A OD2 no hydrogen 2.680 N/A HIS 133.A NE2 ASN 140.A OD1 no hydrogen 3.223 N/A ARG 134.A N ASP 186.A OD1 no hydrogen 2.867 N/A ARG 134.A NE THR 156.A O no hydrogen 2.916 N/A ARG 134.A NH2 THR 156.A O no hydrogen 2.692 N/A LYS 137.A NZ THR 167.A OG1 no hydrogen 2.699 N/A ASN 140.A ND2 ASP 153.A OD2 no hydrogen 3.563 N/A ILE 141.A N LYS 137.A O no hydrogen 3.093 N/A LEU 142.A N GLN 150.A O no hydrogen 3.165 N/A LEU 143.A N GLY 95.A O no hydrogen 2.807 N/A ASN 144.A N HIS 148.A O no hydrogen 3.139 N/A MET 147.A N ASN 144.A O no hydrogen 2.882 N/A HIS 148.A N ASN 144.A OD1 no hydrogen 2.997 N/A HIS 148.A ND1 GLU 118.A OE2 no hydrogen 2.792 N/A ILE 149.A N GLU 118.A OE1 no hydrogen 3.092 N/A GLN 150.A N LEU 142.A O no hydrogen 2.505 N/A ILE 151.A N PHE 71.A O no hydrogen 2.738 N/A THR 152.A N ASN 140.A O no hydrogen 2.972 N/A ALA 157.A N PHE 154.A O no hydrogen 3.434 N/A LYS 158.A N ILE 132.A O no hydrogen 2.761 N/A LEU 160.A N GLY 130.A O no hydrogen 2.883 N/A THR 167.A N ASP 135.A OD1 no hydrogen 3.011 N/A THR 167.A OG1 ASP 135.A OD1 no hydrogen 2.963 N/A TYR 170.A N THR 167.A O no hydrogen 3.001 N/A TYR 170.A OH GLN 196.A OE1 no hydrogen 2.482 N/A SER 172.A OG GLU 174.A OE2 no hydrogen 3.086 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.796 N/A LEU 175.A N SER 172.A O no hydrogen 3.056 N/A LEU 176.A N PRO 173.A O no hydrogen 3.126 N/A THR 177.A OG1 PRO 173.A O no hydrogen 3.186 N/A GLU 178.A N GLU 174.A O no hydrogen 3.122 N/A SER 182.A N SER 185.A OG no hydrogen 3.017 N/A LYS 183.A NZ GLU 250.A OE2 no hydrogen 3.398 N/A SER 184.A OG ALA 243.A O no hydrogen 3.275 N/A SER 185.A N SER 182.A O no hydrogen 2.984 N/A SER 185.A OG GLU 174.A OE2 no hydrogen 2.687 N/A SER 185.A OG SER 182.A O no hydrogen 3.059 N/A ASP 186.A N LYS 183.A O no hydrogen 3.203 N/A TRP 188.A N SER 184.A O no hydrogen 2.856 N/A ALA 189.A N SER 185.A O no hydrogen 3.101 N/A LEU 190.A N ASP 186.A O no hydrogen 2.655 N/A GLY 191.A N LEU 187.A O no hydrogen 3.238 N/A CYS 192.A N TRP 188.A O no hydrogen 3.177 N/A CYS 192.A SG TRP 188.A O no hydrogen 3.443 N/A ILE 193.A N ALA 189.A O no hydrogen 3.213 N/A ILE 194.A N LEU 190.A O no hydrogen 2.980 N/A TYR 195.A N GLY 191.A O no hydrogen 2.924 N/A TYR 195.A OH ASP 222.A O no hydrogen 2.710 N/A GLN 196.A N CYS 192.A O no hydrogen 2.782 N/A LEU 197.A N ILE 193.A O no hydrogen 2.831 N/A VAL 198.A N TYR 195.A O no hydrogen 3.114 N/A ALA 199.A N TYR 195.A O no hydrogen 2.793 N/A GLY 200.A N GLN 196.A O no hydrogen 2.834 N/A ARG 205.A NH1 PRO 202.A O no hydrogen 2.843 N/A LEU 211.A N ASN 208.A OD1 no hydrogen 2.807 N/A ILE 212.A N ASN 208.A O no hydrogen 3.251 N/A PHE 213.A N GLU 209.A O no hydrogen 2.779 N/A GLN 214.A N TYR 210.A O no hydrogen 2.780 N/A LYS 215.A N LEU 211.A O no hydrogen 3.001 N/A LYS 215.A NZ ARG 205.A O no hydrogen 2.941 N/A ILE 216.A N ILE 212.A O no hydrogen 3.068 N/A ILE 217.A N PHE 213.A O no hydrogen 3.314 N/A LYS 218.A N GLN 214.A O no hydrogen 3.363 N/A LEU 219.A N ILE 216.A O no hydrogen 2.833 N/A GLU 220.A N LYS 215.A O no hydrogen 2.667 N/A PHE 227.A N PRO 224.A O no hydrogen 3.372 N/A ARG 232.A N PHE 228.A O no hydrogen 2.773 N/A ARG 232.A NE GLU 236.A OE2 no hydrogen 3.464 N/A ASP 233.A N PRO 229.A O no hydrogen 3.187 N/A VAL 235.A N ALA 231.A O no hydrogen 3.051 N/A GLU 236.A N ARG 232.A O no hydrogen 2.857 N/A LYS 237.A N ASP 233.A O no hydrogen 2.897 N/A LEU 238.A N VAL 235.A O no hydrogen 2.924 N/A LEU 239.A N VAL 235.A O no hydrogen 2.613 N/A THR 244.A N ASP 242.A OD1 no hydrogen 2.725 N/A THR 244.A OG1 ASP 242.A OD1 no hydrogen 2.457 N/A LYS 245.A N ASP 242.A O no hydrogen 3.293 N/A ARG 246.A NE VAL 240.A O no hydrogen 2.932 N/A ARG 246.A NH1 GLU 174.A OE1 no hydrogen 3.349 N/A ARG 246.A NH1 GLU 174.A OE2 no hydrogen 3.272 N/A ARG 246.A NH1 SER 184.A O no hydrogen 2.915 N/A ARG 246.A NH2 GLU 174.A OE1 no hydrogen 2.626 N/A ARG 246.A NH2 VAL 240.A O no hydrogen 3.330 N/A LEU 247.A N LYS 237.A O no hydrogen 2.884 N/A CYS 249.A N ARG 246.A O no hydrogen 2.991 N/A CYS 249.A SG ALA 243.A O no hydrogen 3.719 N/A CYS 249.A SG GLU 251.A OE1 no hydrogen 3.887 N/A GLU 253.A N GLU 250.A O no hydrogen 2.931 N/A TYR 255.A OH HIS 127.A ND1 no hydrogen 2.430 N/A LYS 259.A N TYR 255.A O no hydrogen 2.965 N/A ALA 260.A N GLY 256.A O no hydrogen 2.963 N/A HIS 261.A N PRO 257.A O no hydrogen 3.226 N/A PHE 263.A N HIS 261.A ND1 no hydrogen 3.172 N/A PHE 264.A N HIS 261.A O no hydrogen 2.686 N/A ASN 271.A ND2 GLN 274.A OE1 no hydrogen 2.978 N/A GLN 274.A N ASN 271.A O no hydrogen 3.275 N/A GLN 275.A N LEU 272.A O no hydrogen 3.155 N/A GLN 275.A NE2 THR 268.A O no hydrogen 2.930 N/A