Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pwy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N.A ASP 233.A OD2 no hydrogen 2.778 N/A SER 8.A OG.B GLU 60.A OE1 no hydrogen 3.219 N/A SER 8.A OG.B GLU 60.A OE2 no hydrogen 2.844 N/A PHE 9.A N GLU 60.A OE1 no hydrogen 2.739 N/A ASN 10.A N SER 8.A OG.A no hydrogen 3.067 N/A ASN 10.A N SER 8.A OG.B no hydrogen 2.974 N/A LEU 11.A N GLU 60.A OE2 no hydrogen 2.799 N/A SER 13.A N THR 23.A O no hydrogen 2.741 N/A SER 13.A OG THR 23.A O no hydrogen 3.428 N/A THR 15.A N GLN 21.A O no hydrogen 3.079 N/A GLY 17.A N TRP 19.A O no hydrogen 2.892 N/A VAL 20.A N LEU 34.A O no hydrogen 2.720 N/A GLN 21.A N THR 15.A O no hydrogen 2.806 N/A GLN 21.A NE2.B SER 31.A OG no hydrogen 2.979 N/A TYR 22.A N ILE 32.A O no hydrogen 2.783 N/A THR 23.A N SER 13.A O no hydrogen 2.928 N/A THR 23.A OG1 SER 31.A OG no hydrogen 2.740 N/A SER 24.A N TYR 30.A O no hydrogen 3.005 N/A ILE 25.A N LEU 11.A O no hydrogen 3.045 N/A CYS 27.A N SER 24.A OG no hydrogen 3.113 N/A TYR 30.A N CYS 27.A O no hydrogen 3.040 N/A SER 31.A OG TYR 22.A O no hydrogen 3.360 N/A SER 31.A OG THR 23.A OG1 no hydrogen 2.740 N/A ILE 32.A N TYR 22.A O no hydrogen 2.947 N/A SER 33.A N ASN 122.A OD1 no hydrogen 3.031 N/A LEU 34.A N VAL 20.A O no hydrogen 2.797 N/A ARG 35.A NE ASN 114.A OD1 no hydrogen 3.090 N/A ARG 35.A NH1 ASN 114.A OD1 no hydrogen 3.183 N/A ARG 35.A NH1 ASP 117.A OD2 no hydrogen 2.479 N/A HIS 36.A N ALA 18.A O no hydrogen 3.124 N/A ASP 42.A N ASN 39.A OD1 no hydrogen 2.898 N/A VAL 43.A N ASN 39.A O no hydrogen 3.092 N/A LEU 44.A N VAL 40.A O no hydrogen 2.905 N/A THR 45.A N GLU 41.A O no hydrogen 2.972 N/A THR 45.A OG1 GLU 41.A O no hydrogen 2.800 N/A THR 45.A OG1 ASP 42.A O no hydrogen 3.495 N/A SER 46.A N ASP 42.A O no hydrogen 3.085 N/A SER 46.A OG ASP 42.A O no hydrogen 2.610 N/A THR 50.A N ASP 48.A OD1 no hydrogen 2.985 N/A THR 50.A OG1 ASP 48.A OD2 no hydrogen 2.743 N/A GLY 51.A N GLU 7.A OE2.A no hydrogen 2.995 N/A GLY 51.A N GLU 7.A OE2.B no hydrogen 3.015 N/A ASN 52.A N ASN 49.A O no hydrogen 3.096 N/A CYS 54.A SG.A TYR 22.A OH.B no hydrogen 2.730 N/A CYS 54.A SG.B HIS 36.A ND1.A no hydrogen 3.361 N/A GLU 60.A N TRP 56.A O no hydrogen 2.977 N/A VAL 61.A N PRO 57.A O no hydrogen 2.894 N/A LEU 62.A N SER 58.A O no hydrogen 2.903 N/A ALA 63.A N GLU 59.A O no hydrogen 2.902 N/A TYR 64.A N GLU 60.A O no hydrogen 3.023 N/A TYR 64.A OH ASP 217.A OD1 no hydrogen 3.194 N/A TYR 64.A OH ASP 217.A OD2 no hydrogen 2.770 N/A TYR 65.A N VAL 61.A O no hydrogen 2.806 N/A CYS 66.A N LEU 62.A O no hydrogen 2.925 N/A CYS 66.A SG LEU 62.A O no hydrogen 3.300 N/A LEU 67.A N ALA 63.A O no hydrogen 3.108 N/A LYS 68.A N TYR 64.A O no hydrogen 2.910 N/A HIS 69.A N TYR 65.A O no hydrogen 2.904 N/A ASN 70.A ND2 LEU 67.A O no hydrogen 2.925 N/A ILE 72.A N HIS 69.A O no hydrogen 3.079 N/A PHE 73.A N ASN 70.A O no hydrogen 3.200 N/A ARG 74.A N ASN 71.A O no hydrogen 3.517 N/A ALA 75.A N ASP 98.A O no hydrogen 2.837 N/A LEU 76.A N PHE 73.A O no hydrogen 3.060 N/A ALA 77.A N ASP 154.A OD2 no hydrogen 2.895 N/A VAL 78.A N GLU 101.A O no hydrogen 2.856 N/A CYS 79.A N ILE 155.A O no hydrogen 2.943 N/A CYS 79.A SG LEU 103.A O no hydrogen 3.992 N/A GLU 80.A N LEU 103.A O no hydrogen 2.942 N/A LEU 81.A N MET 157.A O no hydrogen 2.899 N/A GLY 83.A N THR 105.A O no hydrogen 3.088 N/A GLY 84.A N ASP 106.A OD1 no hydrogen 2.940 N/A CYS 87.A N GLY 83.A O no hydrogen 3.045 N/A CYS 87.A SG GLY 84.A O no hydrogen 3.926 N/A CYS 87.A SG THR 105.A O no hydrogen 3.725 N/A LEU 88.A N THR 86.A OG1 no hydrogen 3.200 N/A ALA 89.A N GLU 59.A OE2 no hydrogen 2.996 N/A GLY 90.A N GLU 80.A OE1 no hydrogen 2.915 N/A LEU 91.A N CYS 87.A O no hydrogen 3.100 N/A MET 92.A N LEU 88.A O no hydrogen 2.932 N/A VAL 93.A N ALA 89.A O no hydrogen 3.021 N/A ALA 94.A N GLY 90.A O no hydrogen 3.088 N/A ILE 95.A N LEU 91.A O no hydrogen 3.046 N/A SER 96.A N MET 92.A O no hydrogen 3.167 N/A SER 96.A N VAL 93.A O no hydrogen 3.270 N/A SER 96.A OG MET 92.A O no hydrogen 2.663 N/A ALA 97.A N VAL 93.A O no hydrogen 2.948 N/A LYS 100.A N LEU 76.A O no hydrogen 2.927 N/A GLU 101.A N LEU 76.A O no hydrogen 3.099 N/A VAL 102.A N LYS 132.A O no hydrogen 2.876 N/A LEU 103.A N VAL 78.A O no hydrogen 2.846 N/A LEU 104.A N SER 134.A O no hydrogen 2.887 N/A THR 105.A N GLU 80.A O no hydrogen 3.007 N/A THR 105.A OG1 GLU 80.A O no hydrogen 2.665 N/A ASN 108.A N ASP 106.A OD2 no hydrogen 2.830 N/A ALA 111.A N ASN 108.A OD1 no hydrogen 3.093 N/A ILE 112.A N ASN 108.A O no hydrogen 3.074 N/A ARG 113.A N GLU 109.A O no hydrogen 3.217 N/A ASN 114.A N LYS 110.A O no hydrogen 3.149 N/A ASN 114.A ND2 ARG 35.A O no hydrogen 2.946 N/A ASN 114.A ND2 MET 85.A O no hydrogen 2.823 N/A VAL 115.A N ALA 111.A O no hydrogen 3.083 N/A GLN 116.A N ILE 112.A O no hydrogen 3.039 N/A GLN 116.A NE2 THR 120.A OG1 no hydrogen 3.423 N/A ASP 117.A N ARG 113.A O no hydrogen 3.219 N/A ILE 118.A N ASN 114.A O no hydrogen 2.965 N/A ILE 119.A N VAL 115.A O no hydrogen 2.924 N/A THR 120.A N GLN 116.A O no hydrogen 3.011 N/A THR 120.A OG1 GLN 116.A O no hydrogen 3.077 N/A ARG 121.A N ASP 117.A O no hydrogen 3.008 N/A ASN 122.A N ILE 118.A O no hydrogen 3.041 N/A ASN 122.A ND2 SER 33.A O no hydrogen 2.760 N/A ASN 122.A ND2 ILE 118.A O no hydrogen 2.767 N/A GLN 123.A N ILE 119.A O no hydrogen 2.836 N/A LYS 124.A N THR 120.A O no hydrogen 3.227 N/A GLY 126.A N GLN 123.A O no hydrogen 2.873 N/A VAL 127.A N ASN 122.A O no hydrogen 3.437 N/A LYS 129.A N ALA 94.A O no hydrogen 2.727 N/A LYS 129.A NZ SER 96.A O no hydrogen 3.244 N/A THR 130.A OG1 LYS 100.A O no hydrogen 2.913 N/A LYS 132.A N THR 130.A OG1 no hydrogen 2.862 N/A SER 134.A N VAL 102.A O no hydrogen 3.187 N/A SER 135.A OG GLN 116.A OE1 no hydrogen 2.791 N/A CYS 136.A N LEU 104.A O no hydrogen 2.870 N/A CYS 136.A SG PHE 137.A O no hydrogen 3.651 N/A LEU 138.A N ASP 106.A O no hydrogen 3.013 N/A ARG 139.A N ASP 145.A OD2 no hydrogen 2.898 N/A ARG 139.A NE ASP 141.A OD1 no hydrogen 2.769 N/A ARG 139.A NH2 ASP 141.A OD1 no hydrogen 3.353 N/A ARG 139.A NH2 ASP 141.A OD2 no hydrogen 2.724 N/A ASN 142.A N ARG 139.A O no hydrogen 3.035 N/A ASP 145.A N ASN 142.A OD1 no hydrogen 2.987 N/A VAL 146.A N ASN 142.A O no hydrogen 3.098 N/A SER 147.A N GLU 143.A O no hydrogen 2.860 N/A SER 147.A OG.A GLU 143.A O no hydrogen 2.775 N/A SER 147.A OG.B GLU 143.A O no hydrogen 2.791 N/A SER 147.A OG.B THR 144.A O no hydrogen 3.288 N/A GLN 148.A N THR 144.A O no hydrogen 3.205 N/A LEU 149.A N VAL 146.A O no hydrogen 2.983 N/A GLU 150.A N SER 147.A O no hydrogen 3.233 N/A GLY 151.A N ARG 177.A O no hydrogen 2.766 N/A HIS 152.A N LEU 149.A O no hydrogen 3.088 N/A HIS 152.A NE2 GLU 101.A OE1 no hydrogen 2.756 N/A PHE 153.A N LEU 178.A O no hydrogen 2.907 N/A ASP 154.A N ALA 77.A O no hydrogen 2.870 N/A ILE 155.A N ALA 77.A O no hydrogen 3.252 N/A VAL 156.A N LYS 184.A O no hydrogen 3.111 N/A MET 157.A N CYS 79.A O no hydrogen 2.843 N/A CYS 158.A N MET 186.A O no hydrogen 3.075 N/A CYS 158.A SG.B LEU 81.A O no hydrogen 3.785 N/A ASP 160.A N PHE 188.A O no hydrogen 2.807 N/A CYS 161.A SG GLY 82.A O no hydrogen 3.676 N/A CYS 161.A SG ALA 159.A O no hydrogen 3.445 N/A TYR 167.A N LEU 164.A O no hydrogen 3.262 N/A ARG 168.A NE LEU 162.A O no hydrogen 2.835 N/A ARG 168.A NH1 ASP 165.A OD1 no hydrogen 3.195 N/A ARG 168.A NH2 LEU 162.A O no hydrogen 2.857 N/A ARG 168.A NH2 ASP 165.A OD1 no hydrogen 2.778 N/A LEU 171.A N TYR 167.A O no hydrogen 2.828 N/A VAL 172.A N ARG 168.A O no hydrogen 3.144 N/A ASP 173.A N ALA 169.A O no hydrogen 2.994 N/A ALA 174.A N SER 170.A O no hydrogen 2.781 N/A ILE 175.A N LEU 171.A O no hydrogen 2.895 N/A LYS 176.A N VAL 172.A O no hydrogen 2.982 N/A LYS 176.A NZ ALA 206.A O no hydrogen 2.792 N/A ARG 177.A N ASP 173.A O no hydrogen 2.955 N/A ARG 177.A NE GLU 150.A OE2 no hydrogen 2.842 N/A ARG 177.A NH1 GLU 143.A OE1 no hydrogen 2.890 N/A ARG 177.A NH1 GLU 143.A OE2 no hydrogen 3.567 N/A ARG 177.A NH2 GLU 143.A OE2 no hydrogen 2.925 N/A ARG 177.A NH2 GLU 150.A OE1 no hydrogen 2.985 N/A ARG 177.A NH2 GLU 150.A OE2 no hydrogen 3.548 N/A LEU 178.A N ALA 174.A O no hydrogen 2.909 N/A LEU 179.A N ILE 175.A O no hydrogen 3.284 N/A GLN 180.A N PHE 153.A O no hydrogen 2.856 N/A GLN 180.A NE2 ASP 154.A OD1 no hydrogen 3.071 N/A ARG 182.A N GLN 180.A OE1 no hydrogen 2.898 N/A ARG 182.A NH1.A PRO 181.A O no hydrogen 2.581 N/A GLY 183.A N GLN 180.A O no hydrogen 2.890 N/A LYS 184.A N ASP 154.A O no hydrogen 3.008 N/A LYS 184.A NZ ARG 182.A O no hydrogen 2.675 N/A ALA 185.A N LEU 247.A O no hydrogen 2.894 N/A MET 186.A N VAL 156.A O no hydrogen 2.899 N/A VAL 187.A N LEU 245.A O no hydrogen 2.895 N/A PHE 188.A N CYS 158.A O no hydrogen 3.015 N/A ALA 189.A N LEU 243.A O no hydrogen 3.024 N/A ARG 191.A NH2.A GLY 193.A O no hydrogen 2.997 N/A ARG 191.A NH2.B GLU 214.A OE2 no hydrogen 3.110 N/A ARG 192.A N ASN 238.A O no hydrogen 2.874 N/A ARG 192.A NE ASP 160.A OD1 no hydrogen 2.801 N/A ARG 192.A NH2 ASP 160.A OD2 no hydrogen 2.993 N/A GLY 193.A N ASN 238.A OD1 no hydrogen 2.813 N/A THR 195.A N ARG 192.A O no hydrogen 3.110 N/A THR 195.A OG1 ARG 191.A O no hydrogen 3.367 N/A THR 195.A OG1 ARG 192.A O no hydrogen 2.772 N/A LEU 196.A N ARG 191.A O no hydrogen 3.246 N/A ASN 197.A ND2.B ASN 194.A OD1 no hydrogen 3.401 N/A GLN 198.A N ASN 194.A O no hydrogen 2.845 N/A PHE 199.A N THR 195.A O no hydrogen 2.922 N/A CYS 200.A N LEU 196.A O no hydrogen 2.976 N/A CYS 200.A SG LEU 196.A O no hydrogen 3.456 N/A ASN 201.A N ASN 197.A O no hydrogen 2.895 N/A ASN 201.A ND2 ASN 197.A OD1.A no hydrogen 3.470 N/A LEU 202.A N GLN 198.A O no hydrogen 3.036 N/A ALA 203.A N PHE 199.A O no hydrogen 2.814 N/A GLU 204.A N CYS 200.A O no hydrogen 2.915 N/A LYS 205.A N ASN 201.A O no hydrogen 3.095 N/A ALA 206.A N LEU 202.A O no hydrogen 3.028 N/A GLY 207.A N GLU 204.A O no hydrogen 3.103 N/A PHE 208.A N ALA 203.A O no hydrogen 2.972 N/A CYS 209.A N THR 248.A O no hydrogen 2.853 N/A GLN 211.A N ILE 246.A O no hydrogen 2.830 N/A ARG 212.A NH1.A GLU 214.A OE2 no hydrogen 2.348 N/A ARG 212.A NH2.A GLU 214.A OE2 no hydrogen 2.584 N/A HIS 213.A N LEU 244.A O no hydrogen 2.807 N/A HIS 213.A NE2 GLN 211.A OE1.B no hydrogen 2.801 N/A TYR 216.A OH PRO 242.A O no hydrogen 2.660 N/A HIS 219.A ND1 TYR 64.A OH no hydrogen 3.043 N/A ILE 220.A N ASP 217.A OD2 no hydrogen 3.081 N/A SER 221.A N ASP 217.A O no hydrogen 2.894 N/A SER 221.A OG ASN 215.A OD1 no hydrogen 2.567 N/A SER 221.A OG ASP 217.A O no hydrogen 3.343 N/A ASN 222.A N GLU 218.A O no hydrogen 2.938 N/A PHE 223.A N HIS 219.A O no hydrogen 2.837 N/A HIS 224.A N ILE 220.A O no hydrogen 2.839 N/A HIS 224.A ND1 TYR 235.A OH no hydrogen 2.677 N/A SER 225.A N SER 221.A O no hydrogen 3.109 N/A SER 225.A OG.B SER 221.A O no hydrogen 3.360 N/A LYS 226.A N ASN 222.A O no hydrogen 3.076 N/A LYS 226.A NZ ASN 231.A OD1 no hydrogen 2.700 N/A LEU 227.A N PHE 223.A O no hydrogen 2.838 N/A LYS 228.A N HIS 224.A O no hydrogen 2.993 N/A LYS 229.A N SER 225.A O no hydrogen 3.194 N/A GLU 230.A N LYS 226.A O no hydrogen 2.684 N/A ASN 231.A N LEU 227.A O no hydrogen 2.706 N/A ASP 233.A N ASP 233.A OD1 no hydrogen 2.674 N/A ILE 234.A N ASN 231.A O no hydrogen 3.094 N/A TYR 235.A N ASN 231.A O no hydrogen 2.923 N/A TYR 235.A OH HIS 224.A ND1 no hydrogen 2.677 N/A GLU 236.A N HIS 240.A ND1 no hydrogen 3.004 N/A LEU 239.A N GLU 236.A O no hydrogen 2.943 N/A HIS 240.A N GLU 236.A O no hydrogen 2.904 N/A TYR 241.A N GLU 237.A O no hydrogen 3.004 N/A TYR 241.A OH GLU 214.A O no hydrogen 2.635 N/A LEU 243.A N ALA 189.A O no hydrogen 2.850 N/A LEU 244.A N HIS 213.A O no hydrogen 3.141 N/A LEU 245.A N VAL 187.A O no hydrogen 2.729 N/A ILE 246.A N GLN 211.A O no hydrogen 2.832 N/A LEU 247.A N ALA 185.A O no hydrogen 2.927 N/A THR 248.A N CYS 209.A O no hydrogen 2.959 N/A LYS 249.A NZ LYS 176.A O no hydrogen 2.842 N/A LYS 249.A NZ LEU 179.A O no hydrogen 3.092 N/A LYS 249.A NZ GLN 180.A O no hydrogen 3.119 N/A HIS 250.A N GLY 207.A O no hydrogen 3.120 N/A