Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6cyw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N MET 101.A O no hydrogen 3.232 N/A PHE 5.A N CYS 99.A O no hydrogen 2.992 N/A ARG 6.A N TRP 26.A O no hydrogen 2.894 N/A CYS 7.A N ALA 97.A O no hydrogen 2.678 N/A LEU 8.A N VAL 24.A O no hydrogen 2.779 N/A GLN 9.A N LEU 95.A O no hydrogen 2.841 N/A GLN 9.A NE2 SER 11.A OG no hydrogen 3.049 N/A MET 10.A N ASP 22.A O no hydrogen 2.791 N/A SER 11.A N ILE 93.A O no hydrogen 2.911 N/A SER 11.A OG THR 21.A OG1 no hydrogen 2.703 N/A SER 12.A N ARG 20.A O no hydrogen 2.897 N/A SER 12.A OG GLU 92.A OE1 no hydrogen 2.617 N/A SER 12.A OG GLU 92.A OE2 no hydrogen 3.367 N/A PHE 13.A N ILE 91.A O no hydrogen 2.814 N/A ALA 14.A N TRP 18.A O no hydrogen 2.996 N/A SER 17.A N ASN 15.A OD1 no hydrogen 3.130 N/A SER 17.A OG ASN 15.A OD1 no hydrogen 3.146 N/A TRP 18.A N ASN 15.A O no hydrogen 3.465 N/A ARG 20.A N SER 12.A O no hydrogen 3.019 N/A ARG 20.A NE ASP 22.A OD1 no hydrogen 2.643 N/A ARG 20.A NH2 ASP 22.A OD1 no hydrogen 3.170 N/A ARG 20.A NH2 ASP 22.A OD2 no hydrogen 2.970 N/A THR 21.A N ASN 37.A OD1 no hydrogen 2.817 N/A THR 21.A OG1 SER 11.A OG no hydrogen 2.703 N/A ASP 22.A N MET 10.A O no hydrogen 2.896 N/A SER 23.A N TRP 35.A O no hydrogen 2.965 N/A VAL 24.A N LEU 8.A O no hydrogen 2.925 N/A VAL 25.A N HIS 33.A O no hydrogen 2.946 N/A TRP 26.A N ARG 6.A O no hydrogen 2.865 N/A LEU 27.A N LEU 30.A O no hydrogen 2.869 N/A GLY 28.A N THR 4.A O no hydrogen 2.818 N/A LEU 30.A N LEU 27.A O no hydrogen 3.144 N/A GLN 31.A NE2 HIS 33.A O no hydrogen 3.152 N/A THR 32.A N VAL 25.A O no hydrogen 2.874 N/A THR 32.A OG1 VAL 25.A O no hydrogen 3.424 N/A THR 32.A OG1 HIS 33.A ND1 no hydrogen 2.775 N/A HIS 33.A N VAL 25.A O no hydrogen 3.474 N/A HIS 33.A ND1 THR 32.A OG1 no hydrogen 2.775 N/A HIS 33.A NE2 SER 49.A O no hydrogen 2.753 N/A ARG 34.A N SER 43.A O no hydrogen 3.074 N/A TRP 35.A N SER 23.A O no hydrogen 2.812 N/A ASN 37.A N ASP 22.A OD2 no hydrogen 2.708 N/A ASN 37.A ND2 ASP 38.A OD1 no hydrogen 3.054 N/A SER 39.A N SER 36.A O no hydrogen 3.091 N/A SER 39.A OG THR 41.A O no hydrogen 2.713 N/A ILE 42.A N GLN 62.A OE1 no hydrogen 2.774 N/A SER 43.A N ARG 34.A O no hydrogen 2.884 N/A THR 45.A N THR 32.A O no hydrogen 3.016 N/A THR 45.A OG1 GLN 31.A O no hydrogen 2.753 N/A LYS 46.A N SER 49.A OG no hydrogen 2.976 N/A LYS 46.A NZ GLN 31.A O no hydrogen 2.803 N/A LYS 46.A NZ THR 45.A O no hydrogen 3.150 N/A LYS 46.A NZ GLU 235.A OE1 no hydrogen 2.643 N/A LYS 46.A NZ GLU 235.A OE2 no hydrogen 3.495 N/A TRP 48.A NE1 ASP 177.A OD2 no hydrogen 2.787 N/A SER 49.A N LYS 46.A O no hydrogen 3.442 N/A SER 49.A OG THR 32.A O no hydrogen 2.541 N/A SER 49.A OG LYS 46.A O no hydrogen 3.228 N/A GLN 50.A NE2 LEU 53.A O no hydrogen 2.969 N/A GLN 50.A NE2 ASN 55.A OD1 no hydrogen 2.948 N/A GLY 51.A N TRP 48.A O no hydrogen 2.900 N/A LYS 52.A NZ GLU 172.A OE2 no hydrogen 2.932 N/A LEU 53.A N GLN 50.A O no hydrogen 3.251 N/A GLN 57.A N SER 54.A OG no hydrogen 3.187 N/A TRP 58.A N SER 54.A O no hydrogen 2.878 N/A GLU 59.A N ASN 55.A O no hydrogen 2.840 N/A LYS 60.A N GLN 56.A O no hydrogen 3.011 N/A LEU 61.A N GLN 57.A O no hydrogen 3.059 N/A GLN 62.A N TRP 58.A O no hydrogen 2.800 N/A HIS 63.A N GLU 59.A O no hydrogen 2.917 N/A MET 64.A N LYS 60.A O no hydrogen 3.213 N/A PHE 65.A N LEU 61.A O no hydrogen 3.159 N/A GLN 66.A N GLN 62.A O no hydrogen 2.775 N/A GLN 66.A NE2 ALA 40.A O no hydrogen 2.773 N/A VAL 67.A N HIS 63.A O no hydrogen 2.890 N/A TYR 68.A N MET 64.A O no hydrogen 2.880 N/A TYR 68.A OH GLN 9.A OE1 no hydrogen 2.689 N/A ARG 69.A N PHE 65.A O no hydrogen 2.824 N/A ARG 69.A NH1 SER 36.A O no hydrogen 3.068 N/A ARG 69.A NH1 SER 39.A O no hydrogen 3.227 N/A ARG 69.A NH2 SER 39.A O no hydrogen 2.928 N/A VAL 70.A N GLN 66.A O no hydrogen 3.476 N/A SER 71.A N VAL 67.A O no hydrogen 2.966 N/A SER 71.A OG VAL 67.A O no hydrogen 2.944 N/A PHE 72.A N TYR 68.A O no hydrogen 2.686 N/A THR 73.A N ARG 69.A O no hydrogen 3.302 N/A THR 73.A OG1 ARG 69.A O no hydrogen 2.993 N/A ARG 74.A N VAL 70.A O no hydrogen 3.119 N/A ASP 75.A N SER 71.A O no hydrogen 2.918 N/A ILE 76.A N PHE 72.A O no hydrogen 3.007 N/A GLN 77.A N THR 73.A O no hydrogen 3.191 N/A GLN 77.A NE2 ASN 15.A O no hydrogen 3.050 N/A GLU 78.A N ARG 74.A O no hydrogen 2.966 N/A LEU 79.A N ASP 75.A O no hydrogen 2.860 N/A VAL 80.A N ILE 76.A O no hydrogen 2.811 N/A LYS 81.A N GLN 77.A O no hydrogen 3.155 N/A MET 82.A N GLU 78.A O no hydrogen 3.137 N/A LYS 86.A N MET 83.A O no hydrogen 2.991 N/A TYR 89.A OH GLN 77.A OE1 no hydrogen 2.771 N/A ILE 91.A N PHE 13.A O no hydrogen 2.782 N/A GLU 92.A N GLN 116.A OE1 no hydrogen 2.804 N/A ILE 93.A N SER 11.A O no hydrogen 2.916 N/A GLN 94.A N ALA 114.A O no hydrogen 2.932 N/A LEU 95.A N GLN 9.A O no hydrogen 2.928 N/A SER 96.A N HIS 112.A O no hydrogen 2.818 N/A ALA 97.A N CYS 7.A O no hydrogen 3.004 N/A GLY 98.A N PHE 110.A O no hydrogen 2.980 N/A CYS 99.A N PHE 5.A O no hydrogen 3.187 N/A GLU 100.A N GLU 108.A O no hydrogen 2.787 N/A MET 101.A N TYR 3.A O no hydrogen 2.681 N/A TYR 102.A N ALA 106.A O no hydrogen 2.967 N/A GLU 108.A N GLU 100.A O no hydrogen 3.109 N/A SER 109.A OG LEU 159.A O no hydrogen 2.611 N/A PHE 110.A N GLY 98.A O no hydrogen 2.913 N/A HIS 112.A N SER 96.A O no hydrogen 2.810 N/A VAL 113.A N VAL 121.A O no hydrogen 2.737 N/A ALA 114.A N GLN 94.A O no hydrogen 2.811 N/A PHE 115.A N LYS 118.A O no hydrogen 2.762 N/A GLN 116.A N GLU 92.A O no hydrogen 2.823 N/A GLN 116.A NE2 GLU 87.A OE1 no hydrogen 3.504 N/A GLN 116.A NE2 PRO 90.A O no hydrogen 2.942 N/A LYS 118.A N PHE 115.A O no hydrogen 3.129 N/A VAL 120.A N VAL 113.A O no hydrogen 2.885 N/A VAL 121.A N VAL 113.A O no hydrogen 3.269 N/A ARG 122.A N GLN 129.A O no hydrogen 2.977 N/A ARG 122.A NE GLN 129.A OE1 no hydrogen 3.295 N/A ARG 122.A NH2 GLN 129.A OE1 no hydrogen 3.010 N/A PHE 123.A N LEU 111.A O no hydrogen 3.018 N/A TRP 124.A N SER 127.A O no hydrogen 2.901 N/A SER 127.A N TRP 124.A O no hydrogen 3.356 N/A TRP 128.A N ASN 146.A OD1 no hydrogen 2.767 N/A GLN 129.A N ARG 122.A O no hydrogen 2.806 N/A THR 130.A OG1 ASP 139.A OD1 no hydrogen 3.466 N/A VAL 131.A N VAL 120.A O no hydrogen 2.864 N/A ALA 134.A N VAL 131.A O no hydrogen 2.965 N/A LEU 138.A N PRO 135.A O no hydrogen 3.156 N/A ASP 139.A N SER 136.A O no hydrogen 3.117 N/A ILE 142.A N LEU 138.A O no hydrogen 3.109 N/A LYS 143.A N ASP 139.A O no hydrogen 3.113 N/A VAL 144.A N LEU 140.A O no hydrogen 2.876 N/A LEU 145.A N PRO 141.A O no hydrogen 2.931 N/A ASN 146.A N ILE 142.A O no hydrogen 2.845 N/A ASN 146.A ND2 TRP 128.A O no hydrogen 2.774 N/A ALA 147.A N LYS 143.A O no hydrogen 3.234 N/A ALA 147.A N VAL 144.A O no hydrogen 2.904 N/A ASP 148.A N LEU 145.A O no hydrogen 3.023 N/A THR 151.A N ASP 148.A OD1 no hydrogen 3.045 N/A THR 151.A OG1 ASP 148.A OD2 no hydrogen 2.607 N/A SER 152.A N ASP 148.A O no hydrogen 3.134 N/A SER 152.A OG THR 126.A O no hydrogen 2.850 N/A ALA 153.A N GLN 149.A O no hydrogen 2.825 N/A THR 154.A N GLY 150.A O no hydrogen 3.124 N/A THR 154.A OG1 GLY 150.A O no hydrogen 2.869 N/A VAL 155.A N THR 151.A O no hydrogen 2.865 N/A GLN 156.A N SER 152.A O no hydrogen 2.931 N/A GLN 156.A NE2 SER 152.A O no hydrogen 3.497 N/A GLN 156.A NE2 SER 152.A OG no hydrogen 3.045 N/A MET 157.A N ALA 153.A O no hydrogen 2.928 N/A LEU 158.A N THR 154.A O no hydrogen 2.911 N/A LEU 159.A N VAL 155.A O no hydrogen 2.936 N/A ASN 160.A N GLN 156.A O no hydrogen 2.845 N/A ASP 161.A N MET 157.A O no hydrogen 2.962 N/A THR 162.A N MET 157.A O no hydrogen 2.962 N/A THR 162.A OG1 MET 157.A O no hydrogen 3.176 N/A CYS 163.A N LEU 158.A O no hydrogen 2.803 N/A LEU 165.A N ASP 161.A O no hydrogen 3.124 N/A PHE 166.A N THR 162.A O no hydrogen 2.814 N/A VAL 167.A N CYS 163.A O no hydrogen 2.934 N/A ARG 168.A N PRO 164.A O no hydrogen 2.971 N/A GLY 169.A N LEU 165.A O no hydrogen 3.423 N/A LEU 170.A N PHE 166.A O no hydrogen 2.939 N/A LEU 171.A N VAL 167.A O no hydrogen 2.872 N/A GLU 172.A N ARG 168.A O no hydrogen 3.198 N/A ALA 173.A N GLY 169.A O no hydrogen 2.962 N/A GLY 174.A N LEU 170.A O no hydrogen 2.667 N/A LEU 178.A N GLY 174.A O no hydrogen 2.920 N/A GLU 179.A N LYS 175.A O no hydrogen 2.859 N/A LYS 180.A N ASP 177.A O no hydrogen 3.094 N/A LYS 180.A NZ GLU 235.A O no hydrogen 2.910 N/A GLU 182.A N TYR 206.A O no hydrogen 2.753 N/A VAL 185.A N SER 203.A O no hydrogen 2.815 N/A TRP 187.A N HIS 201.A O no hydrogen 2.936 N/A SER 189.A N VAL 199.A O no hydrogen 2.953 N/A SER 189.A OG HIS 201.A NE2 no hydrogen 2.735 N/A VAL 191.A N GLN 197.A O no hydrogen 3.059 N/A ARG 196.A N VAL 245.A O no hydrogen 2.966 N/A ARG 196.A NE VAL 191.A O no hydrogen 3.370 N/A GLN 197.A N VAL 191.A O no hydrogen 3.344 N/A GLN 197.A NE2 ASP 244.A OD2 no hydrogen 2.987 N/A LEU 198.A N LEU 243.A O no hydrogen 2.785 N/A VAL 199.A N SER 189.A O no hydrogen 2.776 N/A CYS 200.A N ALA 241.A O no hydrogen 2.923 N/A HIS 201.A N TRP 187.A O no hydrogen 2.782 N/A HIS 201.A ND1 TYR 238.A OH no hydrogen 2.656 N/A HIS 201.A NE2 SER 189.A OG no hydrogen 2.735 N/A VAL 202.A N LEU 239.A O no hydrogen 2.796 N/A SER 203.A N VAL 185.A O no hydrogen 2.862 N/A GLY 204.A N TRP 237.A O no hydrogen 2.780 N/A TYR 206.A N GLU 182.A O no hydrogen 3.121 N/A TYR 206.A OH ASP 29.A OD1 no hydrogen 2.427 N/A TRP 211.A N LYS 258.A O no hydrogen 3.007 N/A MET 213.A N ARG 256.A O no hydrogen 3.000 N/A TRP 214.A N THR 224.A OG1 no hydrogen 3.114 N/A TRP 214.A NE1 ALA 241.A O no hydrogen 3.014 N/A MET 215.A N ALA 254.A O no hydrogen 2.663 N/A ARG 216.A N GLN 219.A O no hydrogen 3.004 N/A ARG 216.A NH2 GLU 249.A O no hydrogen 2.672 N/A GLN 219.A N ARG 216.A O no hydrogen 3.063 N/A GLN 221.A N TRP 214.A O no hydrogen 2.827 N/A THR 224.A N GLN 221.A O no hydrogen 2.960 N/A THR 224.A OG1 GLN 221.A O no hydrogen 2.662 N/A HIS 225.A N THR 242.A O no hydrogen 2.775 N/A ARG 226.A NE VAL 212.A O no hydrogen 2.678 N/A ARG 226.A NH2 VAL 212.A O no hydrogen 3.151 N/A GLY 227.A N GLN 240.A O no hydrogen 2.792 N/A LEU 230.A N TYR 238.A O no hydrogen 2.726 N/A ASN 232.A N THR 236.A O no hydrogen 2.969 N/A ASN 232.A ND2 SER 203.A OG no hydrogen 3.052 N/A ASN 232.A ND2 THR 236.A OG1 no hydrogen 3.092 N/A THR 236.A OG1 ASP 234.A OD1 no hydrogen 2.667 N/A TRP 237.A N PHE 205.A O no hydrogen 2.853 N/A TRP 237.A NE1 ASP 29.A OD2 no hydrogen 2.952 N/A TYR 238.A N LEU 230.A O no hydrogen 2.724 N/A TYR 238.A OH HIS 201.A ND1 no hydrogen 2.656 N/A TYR 238.A OH GLN 240.A OE1 no hydrogen 2.900 N/A LEU 239.A N VAL 202.A O no hydrogen 2.860 N/A ALA 241.A N CYS 200.A O no hydrogen 3.012 N/A THR 242.A N HIS 225.A O no hydrogen 2.805 N/A THR 242.A OG1 HIS 225.A O no hydrogen 3.542 N/A LEU 243.A N LEU 198.A O no hydrogen 2.931 N/A VAL 245.A N ARG 196.A O no hydrogen 2.806 N/A ALA 247.A N GLY 194.A O no hydrogen 2.877 N/A GLY 248.A N GLU 250.A OE1 no hydrogen 2.825 N/A GLU 249.A N GLU 246.A O no hydrogen 2.986 N/A GLU 250.A N GLU 250.A OE1 no hydrogen 3.062 N/A LEU 253.A N GLU 250.A O no hydrogen 3.195 N/A ALA 254.A N MET 215.A O no hydrogen 2.798 N/A CYS 255.A N LEU 269.A O no hydrogen 2.773 N/A ARG 256.A N MET 213.A O no hydrogen 2.849 N/A ARG 256.A NE ASP 266.A OD2 no hydrogen 2.693 N/A ARG 256.A NH2 ASP 266.A OD2 no hydrogen 3.105 N/A VAL 257.A N ILE 267.A O no hydrogen 2.824 N/A LYS 258.A N TRP 211.A O no hydrogen 2.808 N/A LYS 258.A NZ ASP 266.A OD2 no hydrogen 2.813 N/A HIS 259.A NE2 TYR 206.A O no hydrogen 3.201 N/A SER 260.A OG GLN 181.A OE1 no hydrogen 2.632 N/A SER 261.A OG GLU 182.A O no hydrogen 3.185 N/A LEU 262.A N HIS 259.A O no hydrogen 2.925 N/A GLN 265.A N LEU 262.A O no hydrogen 3.037 N/A ILE 267.A N VAL 257.A O no hydrogen 3.036 N/A LEU 269.A N CYS 255.A O no hydrogen 2.948 N/A TRP 271.A N LEU 253.A O no hydrogen 2.905 N/A