Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pye_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 25.A OD1 no hydrogen 2.821 N/A MET 1.A N ASP 25.A OD2 no hydrogen 3.170 N/A GLY 2.A N ASP 25.A OD1 no hydrogen 3.038 N/A THR 4.A N ALA 23.A O no hydrogen 2.871 N/A GLN 5.A NE2 TYR 88.A O no hydrogen 3.083 N/A GLN 5.A NE2 SER 107.A OG no hydrogen 3.025 N/A THR 6.A N GLN 21.A O no hydrogen 3.375 N/A LYS 8.A NZ GLN 5.A O no hydrogen 3.409 N/A GLN 10.A N ARG 108.A O no hydrogen 2.914 N/A LEU 12.A N THR 110.A O no hydrogen 3.223 N/A LYS 13.A NZ GLN 16.A OE1 no hydrogen 3.271 N/A LYS 13.A NZ GLU 220.A OE2 no hydrogen 3.464 N/A THR 14.A N LEU 112.A O no hydrogen 2.949 N/A THR 14.A OG1 LEU 112.A O no hydrogen 3.282 N/A THR 14.A OG1 GLU 113.A OE2 no hydrogen 3.257 N/A GLY 15.A N ALA 80.A O no hydrogen 2.893 N/A GLN 16.A N LYS 13.A O no hydrogen 3.154 N/A MET 18.A N LEU 77.A O no hydrogen 3.247 N/A LEU 20.A N LEU 75.A O no hydrogen 2.745 N/A GLN 21.A N THR 6.A O no hydrogen 2.904 N/A ALA 23.A N THR 4.A O no hydrogen 2.967 N/A GLN 24.A N GLU 71.A O no hydrogen 3.044 N/A HIS 28.A ND1 SER 92.A OG no hydrogen 2.995 N/A GLU 29.A N GLU 29.A OE1 no hydrogen 2.891 N/A TYR 30.A N SER 93.A O no hydrogen 3.091 N/A MET 31.A N SER 48.A O no hydrogen 3.172 N/A SER 32.A OG ALA 91.A O no hydrogen 2.629 N/A TRP 33.A N HIS 46.A O no hydrogen 3.243 N/A TRP 33.A NE1 PHE 73.A O no hydrogen 2.747 N/A TYR 34.A N PHE 89.A O no hydrogen 2.782 N/A ARG 35.A N ARG 43.A O no hydrogen 3.107 N/A ARG 35.A NH2 ASP 37.A OD1 no hydrogen 3.290 N/A ARG 35.A NH2 SER 83.A O no hydrogen 2.946 N/A GLN 36.A N VAL 87.A O no hydrogen 2.873 N/A MET 40.A N ASP 37.A O no hydrogen 3.006 N/A ARG 43.A N ARG 35.A O no hydrogen 3.147 N/A ILE 45.A N TRP 33.A O no hydrogen 2.951 N/A HIS 46.A NE2 TYR 63.A O no hydrogen 3.109 N/A TYR 47.A N ASP 55.A O no hydrogen 2.870 N/A SER 48.A N MET 31.A O no hydrogen 2.963 N/A SER 48.A OG THR 53.A O no hydrogen 2.672 N/A GLY 50.A N SER 48.A OG no hydrogen 3.344 N/A GLY 52.A N ARG 67.A O no hydrogen 2.733 N/A THR 53.A N GLY 50.A O no hydrogen 3.337 N/A ASP 55.A N TYR 47.A O no hydrogen 2.798 N/A GLY 57.A N ILE 45.A O no hydrogen 2.803 N/A VAL 59.A N LEU 44.A O no hydrogen 2.801 N/A TYR 63.A N PRO 60.A O no hydrogen 3.163 N/A TYR 63.A OH TYR 88.A OH no hydrogen 2.899 N/A ASN 64.A N ARG 76.A O no hydrogen 3.042 N/A ARG 67.A NE THR 69.A O no hydrogen 3.170 N/A ARG 67.A NH1 GLU 29.A O no hydrogen 2.970 N/A ARG 67.A NH1 SER 48.A O no hydrogen 3.541 N/A ARG 67.A NH1 SER 48.A OG no hydrogen 3.060 N/A ARG 67.A NH2 HIS 28.A O no hydrogen 3.270 N/A ARG 67.A NH2 GLU 29.A O no hydrogen 3.177 N/A ARG 67.A NH2 ILE 70.A O no hydrogen 3.011 N/A PHE 73.A N CYS 22.A O no hydrogen 3.043 N/A LEU 75.A N LEU 20.A O no hydrogen 2.953 N/A ARG 76.A N ASN 64.A O no hydrogen 2.777 N/A ARG 76.A NH1 THR 19.A OG1 no hydrogen 3.024 N/A LEU 77.A N MET 18.A O no hydrogen 2.894 N/A LEU 78.A N GLY 62.A O no hydrogen 3.365 N/A ALA 80.A N GLN 16.A O no hydrogen 2.775 N/A ALA 81.A N GLN 84.A OE1 no hydrogen 3.125 N/A GLN 84.A N ALA 81.A O no hydrogen 2.717 N/A THR 85.A N PRO 82.A O no hydrogen 3.312 N/A THR 85.A OG1 PRO 82.A O no hydrogen 3.217 N/A SER 86.A N LEU 109.A O no hydrogen 3.007 N/A SER 86.A OG GLN 36.A O no hydrogen 2.896 N/A SER 86.A OG ASP 37.A OD1 no hydrogen 3.034 N/A VAL 87.A N GLN 36.A O no hydrogen 3.263 N/A TYR 88.A N SER 107.A O no hydrogen 2.811 N/A TYR 88.A OH TYR 63.A OH no hydrogen 2.899 N/A TYR 88.A OH GLN 84.A O no hydrogen 2.465 N/A PHE 89.A N TYR 34.A O no hydrogen 3.116 N/A CYS 90.A N GLN 5.A OE1 no hydrogen 2.888 N/A CYS 90.A SG SER 32.A O no hydrogen 3.572 N/A ALA 91.A N SER 32.A O no hydrogen 2.885 N/A SER 92.A N PHE 102.A O no hydrogen 3.127 N/A SER 92.A OG HIS 28.A ND1 no hydrogen 2.995 N/A SER 93.A N TYR 30.A O no hydrogen 2.890 N/A SER 93.A OG TYR 94.A O no hydrogen 3.149 N/A TYR 94.A OH MET 26.A O no hydrogen 2.705 N/A LEU 95.A N GLU 29.A OE1 no hydrogen 2.743 N/A GLU 100.A N THR 98.A OG1 no hydrogen 3.322 N/A PHE 102.A N SER 92.A O no hydrogen 2.882 N/A GLY 104.A N CYS 90.A O no hydrogen 2.893 N/A GLY 106.A N GLN 5.A OE1 no hydrogen 3.359 N/A SER 107.A N TYR 88.A O no hydrogen 2.904 N/A SER 107.A OG PRO 7.A O no hydrogen 2.681 N/A ARG 108.A N LYS 8.A O no hydrogen 2.685 N/A LEU 109.A N SER 86.A O no hydrogen 3.027 N/A THR 110.A N GLN 10.A O no hydrogen 3.163 N/A VAL 111.A N THR 85.A OG1 no hydrogen 2.909 N/A LEU 112.A N LEU 12.A O no hydrogen 2.846 N/A LYS 116.A N ASP 114.A OD1 no hydrogen 3.165 N/A PHE 119.A N TYR 149.A O no hydrogen 2.898 N/A GLU 122.A N THR 146.A O no hydrogen 2.991 N/A ALA 124.A N LEU 144.A O no hydrogen 3.133 N/A PHE 126.A N VAL 142.A O no hydrogen 2.890 N/A ALA 131.A N SER 129.A OG no hydrogen 3.340 N/A GLU 132.A N SER 129.A O no hydrogen 3.041 N/A ILE 133.A N SER 129.A O no hydrogen 3.168 N/A SER 134.A N GLU 130.A O no hydrogen 2.777 N/A SER 134.A OG GLU 130.A O no hydrogen 3.167 N/A SER 134.A OG ALA 131.A O no hydrogen 3.299 N/A HIS 135.A N ALA 131.A O no hydrogen 3.148 N/A HIS 135.A ND1 ALA 131.A O no hydrogen 2.600 N/A THR 136.A N GLU 132.A O no hydrogen 2.803 N/A THR 136.A OG1 GLU 132.A O no hydrogen 2.871 N/A GLN 137.A N ILE 133.A O no hydrogen 2.902 N/A LYS 138.A N THR 136.A OG1 no hydrogen 2.999 N/A ALA 139.A N VAL 194.A O no hydrogen 2.842 N/A THR 140.A N GLU 132.A OE1 no hydrogen 3.213 N/A THR 140.A OG1 GLU 132.A OE2 no hydrogen 2.825 N/A LEU 141.A N LEU 192.A O no hydrogen 2.878 N/A VAL 142.A N PHE 126.A O no hydrogen 3.257 N/A CYS 143.A N SER 190.A O no hydrogen 2.875 N/A CYS 143.A SG ALA 124.A O no hydrogen 3.960 N/A LEU 144.A N ALA 124.A O no hydrogen 2.783 N/A ALA 145.A N LEU 188.A O no hydrogen 2.928 N/A THR 146.A N GLU 122.A O no hydrogen 2.953 N/A GLY 147.A N GLU 177.A OE2 no hydrogen 3.171 N/A PHE 148.A N TYR 186.A O no hydrogen 3.186 N/A TYR 149.A N PHE 119.A O no hydrogen 2.872 N/A HIS 152.A N PRO 150.A O no hydrogen 2.737 N/A GLU 154.A N GLN 211.A O no hydrogen 3.106 N/A SER 156.A N GLN 209.A O no hydrogen 2.957 N/A TRP 157.A NE1 SER 190.A OG no hydrogen 3.004 N/A TRP 158.A N ARG 207.A O no hydrogen 2.771 N/A TRP 158.A NE1 SER 156.A OG no hydrogen 3.036 N/A VAL 159.A N LYS 162.A O no hydrogen 3.090 N/A ASN 160.A N HIS 205.A O no hydrogen 2.854 N/A ASN 160.A ND2 ASN 204.A OD1 no hydrogen 3.484 N/A VAL 164.A N TRP 157.A O no hydrogen 2.838 N/A VAL 168.A N HIS 165.A O no hydrogen 3.258 N/A CYS 169.A N.A ARG 191.A O no hydrogen 3.128 N/A CYS 169.A N.B ARG 191.A O no hydrogen 3.118 N/A THR 170.A OG1 SER 190.A OG no hydrogen 2.662 N/A ASP 171.A N SER 189.A O no hydrogen 3.135 N/A LEU 175.A N ALA 187.A O no hydrogen 3.038 N/A LYS 176.A NZ PRO 179.A O no hydrogen 3.284 N/A LYS 176.A NZ LEU 181.A O no hydrogen 3.201 N/A GLU 177.A N ARG 185.A O no hydrogen 3.208 N/A GLN 178.A N SER 184.A OG no hydrogen 2.919 N/A LEU 181.A N GLN 178.A O no hydrogen 3.075 N/A SER 184.A OG GLN 178.A O no hydrogen 3.229 N/A SER 184.A OG ARG 185.A O no hydrogen 3.362 N/A ARG 185.A NE GLY 147.A O no hydrogen 3.059 N/A ARG 185.A NH2 GLY 147.A O no hydrogen 3.342 N/A TYR 186.A N PHE 148.A O no hydrogen 2.590 N/A ALA 187.A N LEU 175.A O no hydrogen 3.170 N/A LEU 188.A N ALA 145.A O no hydrogen 2.796 N/A SER 189.A N ASP 171.A OD1 no hydrogen 3.222 N/A SER 189.A OG ASP 171.A OD1 no hydrogen 2.692 N/A SER 189.A OG ASP 171.A OD2 no hydrogen 3.488 N/A SER 190.A N CYS 143.A O no hydrogen 3.080 N/A SER 190.A OG THR 170.A OG1 no hydrogen 2.662 N/A ARG 191.A N CYS 169.A O.A no hydrogen 3.286 N/A ARG 191.A N CYS 169.A O.B no hydrogen 3.226 N/A ARG 191.A NH1 CYS 169.A O.A no hydrogen 3.451 N/A ARG 191.A NH1 CYS 169.A O.B no hydrogen 3.496 N/A ARG 191.A NH1 ASP 171.A OD2 no hydrogen 2.863 N/A ARG 191.A NH2 ASP 171.A OD2 no hydrogen 3.477 N/A LEU 192.A N LEU 141.A O no hydrogen 3.085 N/A ARG 193.A N GLY 167.A O no hydrogen 2.981 N/A ARG 193.A NH2 GLU 132.A OE2 no hydrogen 3.283 N/A VAL 194.A N ALA 139.A O no hydrogen 3.029 N/A ALA 196.A N GLN 137.A O no hydrogen 2.884 N/A TRP 199.A N SER 195.A O no hydrogen 3.140 N/A GLN 200.A N ALA 196.A O no hydrogen 2.888 N/A ASP 201.A N PHE 198.A O no hydrogen 3.443 N/A ARG 203.A N ASP 201.A OD1 no hydrogen 3.150 N/A ASN 204.A N ASP 201.A O no hydrogen 3.098 N/A ASN 204.A ND2 PHE 198.A O no hydrogen 2.453 N/A HIS 205.A N ASN 160.A OD1 no hydrogen 3.051 N/A HIS 205.A NE2 GLU 236.A OE1 no hydrogen 2.846 N/A PHE 206.A N ALA 237.A O no hydrogen 2.792 N/A ARG 207.A N TRP 158.A O no hydrogen 3.051 N/A ARG 207.A NH2 GLN 209.A OE1 no hydrogen 3.009 N/A CYS 208.A N ALA 235.A O no hydrogen 3.106 N/A GLN 209.A N SER 156.A O no hydrogen 3.041 N/A VAL 210.A N VAL 233.A O no hydrogen 2.916 N/A GLN 211.A N GLU 154.A O no hydrogen 2.922 N/A PHE 212.A N GLN 231.A O no hydrogen 2.733 N/A TYR 213.A N HIS 152.A O no hydrogen 3.139 N/A TYR 213.A OH GLU 154.A OE1 no hydrogen 2.591 N/A GLY 214.A N THR 230.A OG1 no hydrogen 3.242 N/A LEU 215.A N PRO 228.A O no hydrogen 3.052 N/A SER 216.A N ASP 219.A OD2 no hydrogen 3.279 N/A SER 216.A OG ASP 219.A OD1 no hydrogen 3.366 N/A ASP 219.A N SER 216.A O no hydrogen 3.313 N/A GLU 220.A N GLU 220.A OE2 no hydrogen 2.636 N/A TRP 221.A NE1 ARG 225.A O no hydrogen 2.976 N/A ARG 225.A NH1 VAL 118.A O no hydrogen 3.051 N/A ARG 225.A NH2 VAL 118.A O no hydrogen 3.026 N/A LYS 227.A NZ SER 216.A O no hydrogen 3.009 N/A LYS 227.A NZ ASP 219.A O no hydrogen 2.853 N/A VAL 229.A N LYS 227.A O no hydrogen 2.891 N/A GLN 231.A N PHE 212.A O no hydrogen 2.957 N/A GLN 231.A NE2 VAL 229.A O no hydrogen 3.329 N/A VAL 233.A N VAL 210.A O no hydrogen 2.977 N/A ALA 235.A N CYS 208.A O no hydrogen 3.097 N/A ALA 237.A N PHE 206.A O no hydrogen 2.874 N/A GLY 239.A N ASN 204.A O no hydrogen 3.116 N/A ARG 240.A N TRP 199.A O no hydrogen 3.238 N/A