Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pwy_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N PRO 145.A O no hydrogen 2.819 N/A GLY 3.A N ASN 2.A OD1 no hydrogen 2.779 N/A TYR 4.A N ASN 2.A O no hydrogen 2.891 N/A TYR 4.A OH ASN 54.A O no hydrogen 2.823 N/A THR 5.A N ASP 8.A OD2 no hydrogen 2.786 N/A THR 5.A OG1 GLU 7.A OE1 no hydrogen 3.202 N/A GLU 7.A N GLU 7.A OE1 no hydrogen 2.847 N/A ASP 8.A N THR 5.A O no hydrogen 2.710 N/A TYR 9.A N THR 5.A O no hydrogen 3.396 N/A TYR 9.A OH GLU 1.A O no hydrogen 3.079 N/A LYS 10.A N TYR 6.A O no hydrogen 2.794 N/A ASN 11.A N GLU 7.A O no hydrogen 2.852 N/A THR 12.A N ASP 8.A O no hydrogen 2.934 N/A THR 12.A OG1 ASP 8.A O no hydrogen 3.439 N/A THR 12.A OG1 ASN 54.A OD1 no hydrogen 2.946 N/A ALA 13.A N TYR 9.A O no hydrogen 2.816 N/A GLU 14.A N LYS 10.A O no hydrogen 2.859 N/A TRP 15.A N ASN 11.A O no hydrogen 2.999 N/A LEU 16.A N THR 12.A O no hydrogen 2.921 N/A LEU 17.A N ALA 13.A O no hydrogen 2.835 N/A SER 18.A N GLU 14.A O no hydrogen 2.745 N/A SER 18.A OG GLU 14.A O no hydrogen 3.312 N/A SER 18.A OG TRP 15.A O no hydrogen 3.195 N/A SER 18.A OG HIS 19.A ND1 no hydrogen 3.123 N/A HIS 19.A N LEU 16.A O no hydrogen 2.977 N/A HIS 19.A ND1 TRP 15.A O no hydrogen 2.679 N/A HIS 19.A ND1 SER 18.A OG no hydrogen 3.123 N/A THR 20.A N LEU 17.A O no hydrogen 2.965 N/A THR 20.A OG1 GLN 45.A OE1 no hydrogen 2.862 N/A ARG 23.A NE HIS 22.A O no hydrogen 2.755 N/A ARG 23.A NH2 LEU 17.A O no hydrogen 2.767 N/A ARG 23.A NH2 HIS 22.A O no hydrogen 2.796 N/A GLN 25.A N ALA 76.A O no hydrogen 2.729 N/A GLN 25.A NE2 ASP 108.A OD1 no hydrogen 2.883 N/A GLN 25.A NE2 ASP 108.A OD2 no hydrogen 3.217 N/A GLN 25.A NE2 PRO 282.A O no hydrogen 2.712 N/A VAL 26.A N ALA 76.A O no hydrogen 2.935 N/A ALA 27.A N THR 109.A O no hydrogen 2.828 N/A ILE 28.A N VAL 78.A O no hydrogen 2.932 N/A ILE 29.A N VAL 111.A O no hydrogen 2.962 N/A CYS 30.A N MET 80.A O no hydrogen 2.997 N/A CYS 30.A SG LEU 34.A O no hydrogen 3.495 N/A CYS 30.A SG MET 80.A O no hydrogen 3.688 N/A GLY 31.A N THR 113.A OG1 no hydrogen 3.031 N/A LEU 34.A N GLY 31.A O no hydrogen 3.195 N/A LEU 37.A N LEU 34.A O no hydrogen 3.361 N/A THR 38.A N GLY 35.A O no hydrogen 2.783 N/A THR 38.A OG1 GLY 35.A O no hydrogen 2.621 N/A THR 38.A OG1 GLN 81.A OE1 no hydrogen 2.768 N/A ASP 39.A N GLY 36.A O no hydrogen 2.645 N/A LYS 40.A N LEU 37.A O no hydrogen 2.841 N/A LYS 40.A NZ GLU 271.A OE1 no hydrogen 2.992 N/A THR 42.A N PHE 71.A O no hydrogen 3.236 N/A GLN 45.A N PHE 69.A O no hydrogen 2.720 N/A GLN 45.A NE2 HIS 19.A O no hydrogen 2.516 N/A PHE 47.A N LEU 67.A O no hydrogen 2.654 N/A ASP 48.A N GLU 51.A OE2 no hydrogen 3.066 N/A TYR 49.A OH ARG 66.A O no hydrogen 3.288 N/A TYR 49.A OH GLY 82.A O no hydrogen 2.677 N/A GLU 51.A N ASP 48.A O no hydrogen 2.787 N/A ILE 52.A N TYR 49.A O no hydrogen 2.855 N/A THR 59.A OG1 GLU 88.A OE1 no hydrogen 3.027 N/A GLY 62.A N THR 59.A O no hydrogen 2.676 N/A HIS 63.A N VAL 60.A O no hydrogen 3.283 N/A ARG 66.A N GLN 81.A O no hydrogen 3.336 N/A ARG 66.A NE GLN 81.A OE1 no hydrogen 2.764 N/A ARG 66.A NH2 THR 38.A OG1 no hydrogen 3.325 N/A ARG 66.A NH2 GLN 81.A OE1 no hydrogen 3.237 N/A LEU 67.A N PHE 47.A O no hydrogen 2.691 N/A VAL 68.A N MET 79.A O no hydrogen 2.845 N/A PHE 69.A N GLN 45.A O no hydrogen 2.767 N/A LEU 72.A N ARG 75.A O no hydrogen 2.853 N/A ASN 73.A ND2 SER 275.A O no hydrogen 2.642 N/A CYS 77.A SG VAL 26.A O no hydrogen 3.933 N/A MET 79.A N VAL 68.A O no hydrogen 2.845 N/A MET 80.A N ILE 28.A O no hydrogen 2.773 N/A GLN 81.A N ARG 66.A O no hydrogen 2.848 N/A ARG 83.A NE GLU 223.A OE2 no hydrogen 3.311 N/A ARG 83.A NH1 THR 113.A O no hydrogen 2.849 N/A ARG 83.A NH2 THR 113.A O no hydrogen 2.760 N/A HIS 85.A N GLU 88.A OE2 no hydrogen 2.871 N/A HIS 85.A ND1 GLU 88.A OE2 no hydrogen 2.800 N/A GLU 88.A N HIS 85.A O no hydrogen 2.998 N/A GLY 89.A N MET 86.A O no hydrogen 2.676 N/A TYR 90.A OH ARG 57.A O no hydrogen 2.801 N/A LYS 94.A N PRO 91.A O no hydrogen 2.677 N/A VAL 95.A N PRO 91.A O no hydrogen 3.153 N/A THR 96.A N LEU 92.A O no hydrogen 3.152 N/A THR 96.A OG1 LEU 92.A O no hydrogen 2.906 N/A PHE 97.A N LYS 94.A O no hydrogen 3.190 N/A VAL 99.A N THR 96.A O no hydrogen 3.041 N/A ARG 100.A N PHE 97.A O no hydrogen 2.821 N/A ARG 100.A NH2 GLU 1.A OE2 no hydrogen 2.958 N/A VAL 101.A N PHE 97.A O no hydrogen 3.015 N/A PHE 102.A N PRO 98.A O no hydrogen 2.804 N/A HIS 103.A N VAL 99.A O no hydrogen 3.360 N/A LEU 104.A N ARG 100.A O no hydrogen 3.393 N/A LEU 105.A N VAL 101.A O no hydrogen 2.908 N/A LEU 105.A N PHE 102.A O no hydrogen 2.558 N/A GLY 106.A N PHE 102.A O no hydrogen 2.951 N/A GLY 106.A N HIS 103.A O no hydrogen 2.923 N/A VAL 107.A N PHE 102.A O no hydrogen 3.076 N/A ASP 108.A N GLN 25.A O no hydrogen 2.687 N/A THR 109.A N GLN 25.A O no hydrogen 3.109 N/A THR 109.A OG1 ASP 108.A OD1 no hydrogen 2.759 N/A LEU 110.A N ARG 233.A O no hydrogen 2.890 N/A VAL 111.A N ALA 27.A O no hydrogen 2.881 N/A VAL 112.A N PHE 235.A O no hydrogen 3.072 N/A THR 113.A N ILE 29.A O no hydrogen 2.827 N/A THR 113.A OG1 ILE 29.A O no hydrogen 2.616 N/A ASN 114.A ND2 THR 220.A OG1 no hydrogen 2.590 N/A ALA 116.A N LEU 239.A O no hydrogen 3.280 N/A GLY 117.A N VAL 216.A O no hydrogen 2.833 N/A GLY 118.A N ASN 242.A O no hydrogen 2.793 N/A LEU 119.A N ASP 214.A O no hydrogen 3.254 N/A ASN 120.A N ASP 214.A O no hydrogen 3.082 N/A LYS 122.A N ASN 120.A OD1 no hydrogen 3.080 N/A PHE 123.A N ASN 120.A O no hydrogen 3.078 N/A GLU 124.A N ASP 127.A OD2 no hydrogen 2.938 N/A GLY 126.A N ILE 240.A O no hydrogen 2.704 N/A ASP 127.A N GLU 124.A O no hydrogen 2.699 N/A MET 129.A N SER 238.A O no hydrogen 2.705 N/A LEU 130.A N GLN 187.A O no hydrogen 2.718 N/A ILE 131.A N GLY 236.A O no hydrogen 2.968 N/A ARG 132.A N GLY 189.A O no hydrogen 2.975 N/A HIS 134.A N ASP 133.A OD1 no hydrogen 2.791 N/A HIS 134.A ND1 TYR 165.A OH no hydrogen 2.638 N/A ILE 135.A N TYR 191.A O no hydrogen 3.006 N/A GLY 139.A N ASN 136.A O no hydrogen 3.211 N/A GLY 139.A N ASN 136.A OD1 no hydrogen 2.853 N/A PHE 140.A N LEU 137.A O no hydrogen 3.298 N/A GLY 142.A N GLY 139.A O no hydrogen 3.019 N/A ASN 144.A N GLY 142.A O no hydrogen 2.715 N/A LEU 146.A N ASN 144.A OD1 no hydrogen 2.754 N/A ARG 147.A N ASN 144.A O no hydrogen 3.228 N/A ASN 150.A ND2 GLY 155.A O no hydrogen 2.787 N/A ASP 151.A N GLU 1.A OE2 no hydrogen 3.262 N/A ARG 153.A NE ASP 151.A OD1 no hydrogen 2.981 N/A ARG 153.A NH2 ASP 151.A OD1 no hydrogen 3.039 N/A PHE 154.A N ASP 151.A O no hydrogen 2.668 N/A GLY 155.A N ASP 151.A O no hydrogen 2.908 N/A ARG 157.A NE ARG 157.A O no hydrogen 2.800 N/A ARG 157.A NH1 GLY 148.A O no hydrogen 3.026 N/A ARG 157.A NH2 GLY 148.A O no hydrogen 3.052 N/A ALA 164.A N MET 161.A O no hydrogen 2.857 N/A TYR 165.A OH HIS 134.A ND1 no hydrogen 2.638 N/A ASP 166.A N VAL 234.A O no hydrogen 2.627 N/A MET 169.A N ASP 166.A OD1 no hydrogen 3.068 N/A ARG 170.A N ASP 166.A O no hydrogen 2.821 N/A ARG 170.A NH1 TYR 165.A O no hydrogen 2.499 N/A GLN 171.A N ARG 167.A O no hydrogen 2.902 N/A GLN 171.A N THR 168.A O no hydrogen 2.881 N/A GLN 171.A NE2 ARG 167.A O no hydrogen 2.648 N/A ARG 172.A N THR 168.A O no hydrogen 2.758 N/A LEU 174.A N ARG 170.A O no hydrogen 3.224 N/A SER 175.A N GLN 171.A O no hydrogen 3.024 N/A SER 175.A OG GLN 171.A O no hydrogen 2.950 N/A THR 176.A OG1 ARG 172.A O no hydrogen 3.169 N/A THR 176.A OG1 SER 280.A OG no hydrogen 3.383 N/A TRP 177.A N ALA 173.A O no hydrogen 2.852 N/A TRP 177.A NE1 ARG 184.A O no hydrogen 2.499 N/A LYS 178.A N LEU 174.A O no hydrogen 3.403 N/A GLN 179.A N SER 175.A O no hydrogen 2.889 N/A MET 180.A N THR 176.A O no hydrogen 3.462 N/A GLY 181.A N LYS 178.A O no hydrogen 2.482 N/A GLU 182.A N TRP 177.A O no hydrogen 3.475 N/A GLN 187.A NE2 LYS 122.A O no hydrogen 3.086 N/A GLN 187.A NE2 ASP 127.A OD2 no hydrogen 2.837 N/A GLY 189.A N LEU 130.A O no hydrogen 2.909 N/A THR 190.A N ASP 214.A OD2 no hydrogen 3.027 N/A TYR 191.A N ASP 133.A O no hydrogen 3.115 N/A TYR 191.A OH SER 219.A O no hydrogen 2.676 N/A VAL 192.A N ALA 215.A O no hydrogen 2.686 N/A MET 193.A N ILE 135.A O no hydrogen 3.250 N/A VAL 194.A N GLY 217.A O no hydrogen 2.735 N/A THR 201.A N GLU 204.A OE1 no hydrogen 3.307 N/A GLU 204.A N THR 201.A OG1 no hydrogen 3.116 N/A CYS 205.A N THR 201.A O no hydrogen 2.632 N/A CYS 205.A SG ILE 245.A O no hydrogen 3.462 N/A ARG 206.A N VAL 202.A O no hydrogen 2.964 N/A ARG 206.A NE MET 246.A O no hydrogen 2.578 N/A VAL 207.A N ALA 203.A O no hydrogen 3.251 N/A LEU 208.A N GLU 204.A O no hydrogen 2.998 N/A GLN 209.A N CYS 205.A O no hydrogen 3.067 N/A LYS 210.A N ARG 206.A O no hydrogen 2.984 N/A LEU 211.A N VAL 207.A O no hydrogen 3.174 N/A GLY 212.A N GLN 209.A O no hydrogen 2.859 N/A ALA 213.A N LEU 208.A O no hydrogen 3.056 N/A ASP 214.A N THR 190.A O no hydrogen 2.578 N/A ALA 215.A N THR 190.A O no hydrogen 3.059 N/A VAL 216.A N GLY 117.A O no hydrogen 3.216 N/A GLY 217.A N VAL 192.A O no hydrogen 2.890 N/A SER 219.A N TYR 191.A OH no hydrogen 2.979 N/A VAL 221.A N SER 219.A O no hydrogen 2.732 N/A GLU 223.A N GLU 223.A OE1 no hydrogen 2.924 N/A VAL 224.A N THR 220.A O no hydrogen 2.833 N/A ILE 225.A N VAL 221.A O no hydrogen 3.004 N/A VAL 226.A N PRO 222.A O no hydrogen 3.354 N/A ALA 227.A N GLU 223.A O no hydrogen 3.143 N/A ARG 228.A N VAL 224.A O no hydrogen 2.795 N/A ARG 228.A NH1 ALA 164.A O no hydrogen 3.104 N/A HIS 229.A N ILE 225.A O no hydrogen 2.835 N/A CYS 230.A N VAL 226.A O no hydrogen 3.100 N/A CYS 230.A N ALA 227.A O no hydrogen 3.130 N/A CYS 230.A SG VAL 226.A O no hydrogen 3.315 N/A GLY 231.A N ALA 227.A O no hydrogen 2.968 N/A GLY 231.A N ARG 228.A O no hydrogen 2.750 N/A ARG 233.A N ASP 108.A O no hydrogen 2.841 N/A ARG 233.A NE THR 109.A OG1 no hydrogen 2.954 N/A ARG 233.A NH2 THR 109.A OG1 no hydrogen 3.126 N/A PHE 235.A N LEU 110.A O no hydrogen 3.389 N/A SER 238.A OG ASN 114.A OD1 no hydrogen 2.454 N/A LEU 239.A N ASN 114.A O no hydrogen 2.921 N/A ILE 240.A N ASP 127.A O no hydrogen 2.987 N/A THR 241.A N ALA 116.A O no hydrogen 2.884 N/A THR 241.A OG1 ALA 116.A O no hydrogen 3.329 N/A THR 241.A OG1 ASN 242.A OD1 no hydrogen 3.465 N/A LYS 243.A NZ ASN 120.A O no hydrogen 3.063 N/A LYS 243.A NZ PHE 123.A O no hydrogen 2.994 N/A VAL 244.A N GLY 118.A O no hydrogen 2.924 N/A GLU 249.A N ASP 247.A OD2 no hydrogen 3.193 N/A LYS 264.A N ALA 261.A O no hydrogen 2.577 N/A LYS 264.A NZ LEU 260.A O no hydrogen 3.420 N/A LYS 264.A NZ GLY 263.A O no hydrogen 2.711 N/A LYS 269.A N GLN 265.A O no hydrogen 2.644 N/A LYS 269.A NZ GLU 182.A OE1 no hydrogen 2.902 N/A LYS 269.A NZ GLU 182.A OE2 no hydrogen 2.751 N/A LEU 270.A N ALA 266.A O no hydrogen 3.062 N/A GLU 271.A N ALA 267.A O no hydrogen 2.924 N/A GLN 272.A N GLN 268.A O no hydrogen 3.055 N/A PHE 273.A N LYS 269.A O no hydrogen 3.017 N/A VAL 274.A N LEU 270.A O no hydrogen 2.879 N/A SER 275.A N GLU 271.A O no hydrogen 2.910 N/A ILE 276.A N GLN 272.A O no hydrogen 2.865 N/A LEU 277.A N PHE 273.A O no hydrogen 3.172 N/A MET 278.A N SER 275.A O no hydrogen 2.820 N/A ALA 279.A N ILE 276.A O no hydrogen 2.922 N/A SER 280.A N LEU 277.A O no hydrogen 2.863 N/A SER 280.A OG ARG 172.A O no hydrogen 3.133 N/A SER 280.A OG THR 176.A OG1 no hydrogen 3.383 N/A ILE 281.A N LEU 277.A O no hydrogen 3.219 N/A ILE 281.A N MET 278.A O no hydrogen 3.341 N/A