Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1dle_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 13.A N PRO 124.A O no hydrogen 3.227 N/A TYR 20.A N THR 18.A OG1 no hydrogen 3.352 N/A LYS 22.A NZ THR 18.A O no hydrogen 3.304 N/A GLN 26.A N GLN 23.A O no hydrogen 3.066 N/A ALA 27.A N GLY 43.A O no hydrogen 2.840 N/A LYS 28.A N SER 70.A O no hydrogen 2.900 N/A LYS 28.A NZ GLU 165.A OE1 no hydrogen 3.252 N/A ILE 29.A N CYS 41.A O no hydrogen 2.927 N/A SER 30.A N LYS 68.A O no hydrogen 2.826 N/A VAL 31.A N GLU 39.A O no hydrogen 3.090 N/A ILE 32.A N SER 66.A O no hydrogen 2.903 N/A LYS 36.A N ARG 33A.A O no hydrogen 2.976 N/A GLU 39.A N VAL 31.A O no hydrogen 2.891 N/A CYS 41.A N ILE 29.A O no hydrogen 2.900 N/A CYS 41.A SG SER 40.A O no hydrogen 3.211 N/A MET 42.A N SER 229.A O no hydrogen 2.869 N/A GLY 43.A N ALA 27.A O no hydrogen 2.820 N/A ALA 44.A N LEU 52.A O no hydrogen 2.762 N/A VAL 45.A N TRP 25.A O no hydrogen 2.742 N/A VAL 46.A N PHE 50.A O no hydrogen 3.065 N/A SER 47.A N PHE 50.A O no hydrogen 3.458 N/A SER 47.A OG GLU 283.A OE1 no hydrogen 3.132 N/A VAL 51.A N ILE 110.A O no hydrogen 3.019 N/A LEU 52.A N ALA 44.A O no hydrogen 2.744 N/A THR 53.A N ALA 108.A O no hydrogen 3.053 N/A THR 53.A OG1 MET 42.A O no hydrogen 2.566 N/A THR 53.A OG1 GLY 230.A O no hydrogen 3.249 N/A ALA 54.A N THR 53.A OG1 no hydrogen 2.718 N/A HIS 56.A N ASP 106.A OD2 no hydrogen 2.699 N/A HIS 56.A ND1 ASP 106.A OD1 no hydrogen 2.554 N/A CYS 57.A SG ALA 54.A O no hydrogen 3.746 N/A CYS 57.A SG HIS 56.A NE2 no hydrogen 3.969 N/A PHE 58.A N ALA 55.A O no hydrogen 3.190 N/A THR 59.A OG1 GLU 39.A OE1 no hydrogen 2.635 N/A SER 66.A N ASP 62A.A O no hydrogen 3.049 N/A SER 66.A OG ASP 62A.A OD2 no hydrogen 2.577 N/A LYS 68.A N SER 30.A O no hydrogen 2.729 N/A LYS 68.A NZ HIS 65D.A O no hydrogen 2.851 N/A SER 70.A N LYS 28.A O no hydrogen 2.994 N/A GLU 74.A N VAL 71.A O no hydrogen 2.920 N/A ARG 76.A NH2 GLU 74.A OE1 no hydrogen 2.678 N/A LEU 78.A N VAL 69.A O no hydrogen 2.736 N/A GLU 81.A N LYS 111.A O no hydrogen 2.708 N/A VAL 82.A N LYS 111.A O no hydrogen 3.369 N/A LEU 84.A N LEU 109.A O no hydrogen 2.626 N/A HIS 86.A N VAL 107.A O no hydrogen 3.139 N/A TYR 89.A N HIS 86.A O no hydrogen 3.071 N/A ASN 92.A N ASN 90.A OD1 no hydrogen 3.297 N/A PHE 102.A N ILE 91.A O no hydrogen 2.716 N/A VAL 107.A N TYR 105.A O no hydrogen 2.729 N/A ALA 108.A N THR 53.A O no hydrogen 2.840 N/A LEU 109.A N LEU 84.A O no hydrogen 2.603 N/A ILE 110.A N VAL 51.A O no hydrogen 2.858 N/A LYS 111.A N VAL 82.A O no hydrogen 2.859 N/A LYS 111.A NZ GLU 81.A OE2 no hydrogen 3.191 N/A LEU 112.A N TYR 49.A O no hydrogen 2.906 N/A LYS 113.A N GLU 79.A O no hydrogen 3.077 N/A LYS 115.A NZ TYR 49.A OH no hydrogen 3.357 N/A LEU 116.A N GLU 48.A O no hydrogen 2.776 N/A GLY 119.A N ILE 122.A O no hydrogen 2.573 N/A THR 121.A OG1 GLY 72.A O no hydrogen 3.493 N/A ARG 123.A N PRO 24.A O no hydrogen 3.025 N/A ARG 123.A NH1 LEU 11A.A O no hydrogen 3.045 N/A ARG 123.A NH1 SER 8D.A O no hydrogen 2.929 N/A ILE 125.A N VAL 45.A O no hydrogen 2.869 N/A CYS 129.A N GLN 148S.A OE1 no hydrogen 2.570 N/A GLU 150.A N GLN 146Q.A O no hydrogen 2.973 N/A GLU 151.A N GLN 147R.A O no hydrogen 2.982 N/A LEU 152.A N GLN 148S.A O no hydrogen 2.719 N/A LEU 153.A N LYS 149T.A O no hydrogen 2.546 N/A GLN 156.A N PRO 154.A O no hydrogen 2.784 N/A GLN 156.A NE2 ASP 157.A O no hydrogen 3.588 N/A ILE 158.A N ILE 177.A O no hydrogen 2.888 N/A ALA 160.A N VAL 175.A O no hydrogen 2.763 N/A LEU 161.A N ILE 234.A O no hydrogen 2.619 N/A PHE 162.A N LYS 173.A O no hydrogen 3.216 N/A SER 164.A N THR 171.A O no hydrogen 2.725 N/A SER 164.A OG ASP 228.A OD1 no hydrogen 3.258 N/A SER 164.A OG ASP 228.A OD2 no hydrogen 2.597 N/A GLU 165.A N ASP 228.A OD1 no hydrogen 3.066 N/A GLU 166.A N LYS 169.A O no hydrogen 2.951 N/A LEU 170.A N ASP 19.A OD2 no hydrogen 3.032 N/A THR 171.A N SER 164.A O no hydrogen 2.657 N/A THR 171.A OG1 SER 164.A O no hydrogen 3.470 N/A LYS 173.A N PHE 162.A O no hydrogen 2.946 N/A VAL 175.A N ALA 160.A O no hydrogen 2.674 N/A TYR 176.A N ASP 221.A OD2 no hydrogen 2.824 N/A ILE 177.A N ILE 158.A O no hydrogen 2.875 N/A LYS 178.A N CYS 212.A O no hydrogen 2.834 N/A LYS 178.A NZ TYR 176.A O no hydrogen 2.710 N/A LYS 178.A NZ GLY 214.A O no hydrogen 2.650 N/A ASN 179.A N GLN 156.A O no hydrogen 3.179 N/A ASN 179.A ND2 PRO 154.A O no hydrogen 2.976 N/A LYS 183.A N GLY 180A.A O no hydrogen 3.156 N/A CYS 186.A N LYS 182C.A O no hydrogen 3.096 N/A CYS 186.A SG THR 213.A O no hydrogen 3.550 N/A GLU 187.A N LYS 183.A O no hydrogen 3.054 N/A ARG 188.A N GLY 184.A O no hydrogen 2.934 N/A ASP 189.A N CYS 186.A O no hydrogen 3.343 N/A ALA 190.A N GLU 187.A O no hydrogen 2.966 N/A SER 203.A N ASP 201K.A OD2 no hydrogen 3.177 N/A SER 203.A OG ASP 201K.A OD1 no hydrogen 2.560 N/A GLU 204.A N ASP 201K.A O no hydrogen 2.873 N/A VAL 205.A N ILE 202L.A O no hydrogen 2.990 N/A VAL 206.A N ILE 202L.A O no hydrogen 2.849 N/A THR 207.A OG1 ASP 104.A OD1 no hydrogen 2.672 N/A ARG 209.A N THR 207.A OG1 no hydrogen 3.296 N/A ARG 209.A NE ASP 104.A OD1 no hydrogen 3.015 N/A ARG 209.A NH2 ASP 104.A OD1 no hydrogen 3.539 N/A ARG 209.A NH2 ASP 104.A OD2 no hydrogen 2.848 N/A PHE 210.A N THR 207.A O no hydrogen 3.082 N/A LEU 211.A N HIS 266.A O no hydrogen 2.722 N/A CYS 212.A SG THR 213.A O no hydrogen 3.825 N/A THR 213.A N ASP 264.A O no hydrogen 2.939 N/A THR 213.A OG1 ASP 264.A O no hydrogen 3.514 N/A THR 213.A OG1 HIS 266.A NE2 no hydrogen 2.864 N/A GLY 214.A N ASP 221.A OD2 no hydrogen 3.225 N/A GLY 215.A N ALA 262.A O no hydrogen 3.009 N/A ASP 221.A N GLY 215.A O no hydrogen 3.006 N/A ASN 223.A ND2 ALA 262.A O no hydrogen 3.014 N/A ASN 223.A ND2 ASP 264.A OD2 no hydrogen 2.886 N/A THR 224.A N ASP 264.A OD2 no hydrogen 2.943 N/A CYS 225.A N ASP 228.A OD2 no hydrogen 2.805 N/A CYS 225.A SG SER 164.A OG no hydrogen 3.337 N/A ARG 226.A N ASP 253A.A OD2 no hydrogen 3.129 N/A ASP 228.A N CYS 225.A O no hydrogen 2.724 N/A SER 229.A N ARG 226.A O no hydrogen 3.383 N/A SER 229.A OG HIS 56.A NE2 no hydrogen 2.769 N/A GLY 230.A N ILE 247.A O no hydrogen 2.853 N/A GLY 231.A N ASP 228.A O no hydrogen 2.977 N/A LEU 233.A N GLY 245.A O no hydrogen 2.606 N/A ILE 234.A N LEU 161.A O no hydrogen 2.667 N/A VAL 235.A N ILE 242.A O no hydrogen 2.863 N/A HIS 236.A ND1 ARG 240.A O no hydrogen 2.884 N/A LYS 237.A NZ GLU 151.A O no hydrogen 2.663 N/A PHE 241.A N GLY 13.A O no hydrogen 2.938 N/A ILE 242.A N VAL 235.A O no hydrogen 3.042 N/A GLN 243.A N CYS 126.A O no hydrogen 2.944 N/A GLN 243.A NE2 GLY 245.A O no hydrogen 3.378 N/A VAL 244.A N LEU 233.A O no hydrogen 2.743 N/A GLY 245.A N LEU 233.A O no hydrogen 3.149 N/A VAL 246.A N ILE 267.A O no hydrogen 3.080 N/A ILE 247.A N GLY 231.A O no hydrogen 2.876 N/A SER 248.A N PHE 265.A O no hydrogen 2.885 N/A SER 248.A OG ASP 106.A OD1 no hydrogen 2.789 N/A TRP 249.A N PHE 265.A O no hydrogen 3.147 N/A VAL 251.A N ARG 263.A O no hydrogen 2.810 N/A CYS 255.A N ASP 253A.A OD1 no hydrogen 3.172 N/A CYS 255.A SG ASP 253A.A OD1 no hydrogen 3.367 N/A HIS 261.A N VAL 258I.A O no hydrogen 2.847 N/A ALA 262.A N PRO 259.A O no hydrogen 3.115 N/A ARG 263.A N HIS 261.A O no hydrogen 2.818 N/A ARG 263.A NE ASP 189.A OD2 no hydrogen 2.726 N/A ARG 263.A NH1 GLY 214.A O no hydrogen 3.049 N/A ARG 263.A NH2 ASP 189.A OD2 no hydrogen 3.103 N/A ASP 264.A N THR 213.A O no hydrogen 2.985 N/A PHE 265.A N TRP 249.A O no hydrogen 2.584 N/A HIS 266.A N LEU 211.A O no hydrogen 3.032 N/A HIS 266.A NE2 THR 213.A OG1 no hydrogen 2.864 N/A ILE 267.A N VAL 246.A O no hydrogen 2.853 N/A ASN 268.A N ARG 209.A O no hydrogen 2.870 N/A LEU 269.A N VAL 244.A O no hydrogen 3.053 N/A PHE 270.A N ASN 268.A OD1 no hydrogen 2.983 N/A GLN 271.A N ASN 268.A O no hydrogen 2.956 N/A VAL 272.A N LEU 269.A O no hydrogen 2.939 N/A LEU 276.A N VAL 272.A O no hydrogen 3.072 N/A LYS 277.A N LEU 273.A O no hydrogen 2.675 N/A LYS 277.A NZ LEU 288.A O no hydrogen 2.511 N/A LYS 277.A NZ LEU 288.A OXT no hydrogen 3.497 N/A GLU 278.A N PRO 274.A O no hydrogen 3.404 N/A LYS 279.A N TRP 275.A O no hydrogen 3.082 N/A LEU 280.A N LEU 276.A O no hydrogen 3.026 N/A GLN 281.A N GLU 278.A O no hydrogen 2.626 N/A GLU 283.A N LEU 280.A O no hydrogen 3.349 N/A LEU 288.A N CYS 129.A O no hydrogen 2.905 N/A ARG 33A.A NH1 GLY 37.A O no hydrogen 2.869 N/A ARG 33A.A NH1 GLU 39.A OE1 no hydrogen 3.292 N/A ARG 33A.A NH1 THR 59.A OG1 no hydrogen 3.388 N/A ARG 33A.A NH2 THR 59.A OG1 no hydrogen 2.715 N/A ASP 62A.A N VAL 60.A O no hydrogen 2.745 N/A GLY 93A.A N ASN 90.A O no hydrogen 2.853 N/A THR 130A.A OG1 LEU 127.A O no hydrogen 2.709 N/A THR 130A.A OG1 THR 133D.A OG1 no hydrogen 3.081 N/A GLN 191A.A N ARG 188.A O no hydrogen 3.263 N/A GLN 191A.A NE2 ARG 188.A O no hydrogen 3.423 N/A LYS 256A.A N GLU 166.A OE1 no hydrogen 3.093 N/A SER 10B.A N GLN 7E.A O no hydrogen 3.379 N/A SER 10B.A N SER 6F.A O no hydrogen 3.332 N/A SER 10B.A OG GLN 7E.A O no hydrogen 2.951 N/A LYS 94B.A NZ GLU 204.A O no hydrogen 2.904 N/A LYS 94B.A NZ GLU 204.A OE1 no hydrogen 3.124 N/A GLU 131B.A N GLY 286.A O no hydrogen 2.639 N/A TYR 192B.A N ASP 189.A O no hydrogen 3.042 N/A LEU 9C.A N SER 6F.A O no hydrogen 3.205 N/A LEU 9C.A N GLU 5G.A O no hydrogen 2.941 N/A LYS 95C.A N ASN 92.A O no hydrogen 3.137 N/A LYS 182C.A NZ ASP 157.A OD2 no hydrogen 2.957 N/A ALA 193C.A N ALA 190.A O no hydrogen 3.047 N/A HIS 65D.A N ASP 62A.A OD1 no hydrogen 3.083 N/A HIS 65D.A N ASP 62A.A OD2 no hydrogen 3.222 N/A THR 133D.A OG1 LEU 127.A O no hydrogen 2.742 N/A THR 133D.A OG1 THR 130A.A OG1 no hydrogen 3.081 N/A ALA 97E.A N LYS 94B.A O no hydrogen 2.916 N/A THR 134E.A N THR 130A.A O no hydrogen 3.310 N/A THR 134E.A OG1 GLU 131B.A O no hydrogen 2.620 N/A GLY 98F.A N LYS 95C.A O no hydrogen 2.862 N/A ARG 135F.A N GLU 131B.A O no hydrogen 3.349 N/A TYR 196F.A N ALA 193C.A O no hydrogen 2.963 N/A TYR 196F.A OH GLU 101I.A O no hydrogen 2.573 N/A GLU 5G.A N ASP 2J.A O no hydrogen 2.960 N/A ILE 99G.A N LYS 94B.A O no hydrogen 3.173 N/A ALA 136G.A N GLY 132C.A O no hydrogen 3.021 N/A ASP 4H.A N ASP 2J.A OD1 no hydrogen 2.797 N/A LEU 137H.A N THR 133D.A O no hydrogen 2.899 N/A LYS 198H.A NZ GLY 98F.A O no hydrogen 3.460 N/A ARG 138I.A N ARG 135F.A O no hydrogen 2.699 N/A VAL 199I.A N TYR 196F.A O no hydrogen 3.166 N/A LEU 139J.A N THR 134E.A O no hydrogen 2.993 N/A THR 143N.A N PRO 140K.A O no hydrogen 3.191 N/A THR 143N.A OG1 PRO 140K.A O no hydrogen 2.669 N/A THR 144O.A N GLN 147R.A OE1 no hydrogen 2.803 N/A GLN 147R.A N THR 144O.A OG1 no hydrogen 3.286 N/A GLN 148S.A N THR 144O.A O no hydrogen 3.089 N/A GLN 148S.A NE2 THR 130A.A O no hydrogen 3.517 N/A LYS 149T.A N CYS 145P.A O no hydrogen 2.986 N/A