Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3c1k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N PRO 143.A O no hydrogen 2.987 N/A ARG 5.A N GLU 9.A OE2 no hydrogen 3.069 N/A ARG 5.A NE GLU 9.A OE2 no hydrogen 2.885 N/A ARG 5.A NH1 ASP 15.A OD1 no hydrogen 2.836 N/A ARG 5.A NH1 MET 37.A O no hydrogen 3.027 N/A ARG 5.A NH2 GLU 9.A OE1 no hydrogen 2.842 N/A ARG 5.A NH2 ASP 15.A OD1 no hydrogen 3.393 N/A ARG 5.A NH2 GLU 18C.A OE2 no hydrogen 2.840 N/A PHE 8.A N ARG 5.A O no hydrogen 2.945 N/A LYS 10.A N ARG 5.A O no hydrogen 3.281 N/A LYS 10.A NZ ASP 1A.A OD1 no hydrogen 2.767 N/A LYS 10.A NZ ASP 1A.A OD2 no hydrogen 3.098 N/A LYS 11.A N PHE 8.A O no hydrogen 2.848 N/A SER 12.A N GLU 9.A O no hydrogen 3.154 N/A LEU 13.A N PHE 8.A O no hydrogen 2.940 N/A ASP 15.A N GLU 18C.A OE2 no hydrogen 2.888 N/A ILE 27.A N GLY 168.A O no hydrogen 3.409 N/A VAL 28.A N ASP 217.A O no hydrogen 2.895 N/A SER 31.A N VAL 180.A O no hydrogen 2.992 N/A ALA 33.A N LEU 178.A O no hydrogen 2.811 N/A MET 37.A N GLU 34.A O no hydrogen 3.340 N/A GLN 41.A N SER 38.A O no hydrogen 3.006 N/A GLN 41.A NE2 THR 165.A O no hydrogen 3.392 N/A VAL 42.A N ALA 56.A O no hydrogen 3.054 N/A MET 43.A N ARG 88.A O no hydrogen 2.985 N/A LEU 44.A N CYS 54.A O no hydrogen 2.810 N/A PHE 45.A N LEU 86.A O no hydrogen 2.830 N/A ARG 46.A N GLU 51.A O no hydrogen 2.918 N/A ARG 46.A NH1 GLU 51.A OE1 no hydrogen 2.804 N/A LYS 47.A N ASP 84.A O no hydrogen 3.227 N/A LYS 47.A NZ ASN 83.A O no hydrogen 3.545 N/A GLN 50.A NE2 LYS 47.A O no hydrogen 2.859 N/A GLU 51.A N ARG 46.A O no hydrogen 3.275 N/A LEU 53.A N LEU 44.A O no hydrogen 2.906 N/A CYS 54.A SG LEU 53.A O no hydrogen 3.283 N/A GLY 55.A N SER 223.A O no hydrogen 2.869 N/A SER 57.A N LEU 65.A O no hydrogen 2.906 N/A SER 57.A OG GLN 239.A OE1 no hydrogen 2.754 N/A LEU 58.A N TRP 40.A O no hydrogen 2.955 N/A ILE 59.A N TRP 63.A O no hydrogen 3.086 N/A ARG 62.A N SER 60.A OG no hydrogen 3.300 N/A ARG 62.A NE LEU 131.A O no hydrogen 2.435 N/A TRP 63.A NE1 GLY 276.A O no hydrogen 3.033 N/A VAL 64.A N MET 129.A O no hydrogen 3.082 N/A LEU 65.A N SER 57.A O no hydrogen 2.809 N/A THR 66.A N ALA 127.A O no hydrogen 3.070 N/A THR 66.A OG1 GLY 55.A O no hydrogen 3.018 N/A HIS 69.A N ASP 125.A OD1 no hydrogen 2.807 N/A HIS 69.A ND1 ASP 125.A OD2 no hydrogen 2.746 N/A HIS 69.A NE2 SER 223.A OG no hydrogen 2.902 N/A CYS 70.A N ALA 67.A O no hydrogen 3.020 N/A CYS 70.A SG SER 223.A O no hydrogen 3.819 N/A LEU 71.A N ALA 68.A O no hydrogen 3.161 N/A LEU 72.A N ALA 68.A O no hydrogen 3.029 N/A GLU 82.A N GLU 82.A OE1 no hydrogen 2.805 N/A ASP 84.A N THR 81I.A O no hydrogen 2.881 N/A LEU 85.A N GLU 82.A O no hydrogen 3.335 N/A LEU 86.A N PHE 45.A O no hydrogen 2.763 N/A VAL 87.A N SER 105.A O no hydrogen 2.974 N/A ARG 88.A N MET 43.A O no hydrogen 2.901 N/A ARG 88.A NE GLU 102.A OE2 no hydrogen 2.755 N/A ARG 88.A NH2 GLU 102.A OE1 no hydrogen 2.715 N/A ARG 88.A NH2 GLU 102.A OE2 no hydrogen 2.991 N/A ILE 89.A N LYS 103.A O no hydrogen 2.896 N/A LYS 91.A NZ SER 93.A O no hydrogen 2.985 N/A LYS 91.A NZ ARG 96.A O no hydrogen 2.745 N/A LYS 91.A NZ GLU 98.A OE2 no hydrogen 2.720 N/A LYS 91.A NZ GLU 102.A OE1 no hydrogen 2.738 N/A HIS 92.A N GLU 98.A OE2 no hydrogen 3.032 N/A SER 93.A N GLU 98.A OE1 no hydrogen 3.063 N/A SER 93.A N GLU 98.A OE2 no hydrogen 3.100 N/A ARG 94.A N SER 176.A O no hydrogen 3.155 N/A ARG 94.A NE PRO 175.A O no hydrogen 2.927 N/A GLU 98.A N GLU 102.A OE1 no hydrogen 3.069 N/A ILE 101.A N GLU 98.A O no hydrogen 2.941 N/A GLU 102.A N GLU 98.A O no hydrogen 3.003 N/A LYS 103.A N ILE 89.A O no hydrogen 2.807 N/A LYS 103.A NZ GLU 102.A O no hydrogen 2.760 N/A SER 105.A N VAL 87.A O no hydrogen 2.813 N/A GLU 108.A N LYS 130.A O no hydrogen 2.819 N/A ILE 110.A N GLU 82.A OE2 no hydrogen 2.989 N/A TYR 111.A N LEU 128.A O no hydrogen 2.749 N/A ARG 115.A N HIS 113.A ND1 no hydrogen 2.919 N/A TYR 116.A N HIS 113.A O no hydrogen 3.106 N/A TYR 116.A OH LEU 72.A O no hydrogen 2.783 N/A ASN 117.A N ASP 123.A O no hydrogen 2.793 N/A ASN 117.A ND2 GLU 120A.A OE1 no hydrogen 3.229 N/A ASN 121.A ND2 ARG 198.A O no hydrogen 2.640 N/A LEU 122.A N ASN 117.A O no hydrogen 2.982 N/A ARG 124.A NH1 ARG 115.A O no hydrogen 3.232 N/A ALA 127.A N THR 66.A O no hydrogen 2.978 N/A LEU 128.A N TYR 111.A O no hydrogen 2.841 N/A MET 129.A N VAL 64.A O no hydrogen 2.937 N/A LYS 130.A N LYS 109.A O no hydrogen 3.032 N/A LYS 130.A NZ PHE 275.A O no hydrogen 2.625 N/A LYS 130.A NZ GLY 276.A O no hydrogen 2.659 N/A LEU 131.A N ARG 62.A O no hydrogen 2.929 N/A LYS 132.A N MET 106.A O no hydrogen 2.984 N/A LYS 133.A NZ LYS 132.A O no hydrogen 2.962 N/A VAL 135.A N ASP 61.A O no hydrogen 3.040 N/A SER 138.A N ILE 141.A O no hydrogen 2.902 N/A TYR 140.A N SER 138.A OG no hydrogen 3.370 N/A ILE 141.A N SER 138.A O no hydrogen 3.428 N/A HIS 142.A N PRO 39.A O no hydrogen 2.970 N/A HIS 142.A NE2 ASP 1A.A O no hydrogen 2.885 N/A VAL 144.A N LEU 58.A O no hydrogen 3.059 N/A CYS 145.A N TRP 237.A O no hydrogen 3.344 N/A THR 151.A N ASP 148.A OD1 no hydrogen 2.789 N/A THR 151.A OG1 ASP 148.A OD1 no hydrogen 2.944 N/A THR 151.A OG1 ASP 148.A OD2 no hydrogen 2.702 N/A ALA 152.A N ASP 148.A O no hydrogen 3.083 N/A LEU 156.A N ALA 152.A O no hydrogen 2.999 N/A GLN 157.A N LEU 155C.A O no hydrogen 2.699 N/A GLN 157.A NE2 SER 154B.A O no hydrogen 2.929 N/A GLY 159.A N ILE 185.A O no hydrogen 2.856 N/A TYR 160.A N GLN 157.A O no hydrogen 2.992 N/A TYR 160.A OH ILE 26K.A O no hydrogen 3.409 N/A LYS 161.A N SER 24I.A OG no hydrogen 3.076 N/A LYS 161.A NZ GLU 20E.A OE1 no hydrogen 2.744 N/A GLY 162.A N LEU 183.A O no hydrogen 2.762 N/A ARG 163.A N VAL 228.A O no hydrogen 2.948 N/A ARG 163.A NE ASN 182.A OD1 no hydrogen 3.123 N/A ARG 163.A NH1 ASP 15.A OD1 no hydrogen 2.735 N/A ARG 163.A NH2 ASP 15.A OD1 no hydrogen 3.438 N/A ARG 163.A NH2 ASP 15.A OD2 no hydrogen 3.059 N/A VAL 164.A N VAL 181.A O no hydrogen 2.909 N/A GLY 166.A N GLN 179.A O no hydrogen 3.164 N/A TRP 167.A NE1 HIS 92.A O no hydrogen 3.121 N/A GLY 168.A N ASP 222.A OD2 no hydrogen 2.792 N/A ASN 169.A N GLU 220.A O no hydrogen 2.899 N/A LEU 170.A N GLY 173.A O no hydrogen 3.292 N/A LEU 178.A N HIS 92.A O no hydrogen 2.882 N/A GLN 179.A N GLY 166.A O no hydrogen 3.199 N/A VAL 180.A N SER 31.A O no hydrogen 2.951 N/A VAL 181.A N VAL 164.A O no hydrogen 3.009 N/A ASN 182.A ND2 THR 17B.A OG1 no hydrogen 3.074 N/A ASN 182.A ND2 GLU 20E.A OE2 no hydrogen 2.811 N/A LEU 183.A N GLY 162.A O no hydrogen 2.834 N/A ILE 185.A N TYR 160.A O no hydrogen 2.728 N/A VAL 186.A N CYS 205.A O no hydrogen 3.094 N/A GLU 187.A N GLU 187.A OE2 no hydrogen 2.819 N/A ARG 188.A NH1 MET 203.A O no hydrogen 2.868 N/A ARG 188.A NH2 MET 203.A O no hydrogen 3.026 N/A CYS 191.A N GLU 187.A O no hydrogen 3.023 N/A CYS 191.A SG VAL 186.A O no hydrogen 3.447 N/A CYS 191.A SG GLU 187.A O no hydrogen 3.535 N/A LYS 192.A N ARG 188.A O no hydrogen 2.845 N/A ASP 193.A N PRO 189.A O no hydrogen 2.890 N/A SER 194.A N CYS 191.A O no hydrogen 3.299 N/A SER 194.A OG CYS 191.A O no hydrogen 2.834 N/A THR 195.A OG1 GLU 247.A OE1 no hydrogen 3.541 N/A THR 195.A OG1 GLU 247.A OE2 no hydrogen 3.060 N/A ILE 197.A N THR 195.A OG1 no hydrogen 2.901 N/A ARG 198.A NH1 GLU 120A.A OE2 no hydrogen 2.718 N/A THR 200.A OG1 ASP 123.A OD1 no hydrogen 2.691 N/A ASN 202.A N THR 200.A OG1 no hydrogen 3.215 N/A ASN 202.A ND2 ASP 123.A OD1 no hydrogen 2.964 N/A ASN 202.A ND2 ASP 123.A OD2 no hydrogen 3.499 N/A PHE 204.A N TYR 258.A O no hydrogen 3.214 N/A ALA 206.A N GLY 256.A O no hydrogen 2.928 N/A GLY 207.A N PRO 184.A O no hydrogen 2.927 N/A LYS 209.A N GLU 212B.A OE1 no hydrogen 2.894 N/A LYS 209.A NZ GLU 187.A OE1 no hydrogen 2.930 N/A LYS 209.A NZ GLU 187.A OE2 no hydrogen 2.849 N/A ARG 215.A NE ASP 250.A OD2 no hydrogen 2.844 N/A ARG 215.A NH1 ASP 252.A OD1 no hydrogen 3.342 N/A ARG 215.A NH1 ASP 252.A OD2 no hydrogen 2.881 N/A ARG 215.A NH2 ASP 250.A O no hydrogen 2.540 N/A ARG 215.A NH2 ASP 250.A OD2 no hydrogen 3.252 N/A ARG 215.A NH2 ASP 252.A OD2 no hydrogen 2.707 N/A GLY 216.A N ASP 250.A OD1 no hydrogen 2.913 N/A ASP 217.A N VAL 28.A O no hydrogen 3.141 N/A CYS 219.A N ASP 222.A OD1 no hydrogen 2.902 N/A CYS 219.A SG LYS 171.A O no hydrogen 3.907 N/A ASP 222.A N CYS 219.A O no hydrogen 2.925 N/A SER 223.A OG HIS 69.A NE2 no hydrogen 2.902 N/A GLY 224.A N VAL 243.A O no hydrogen 2.988 N/A GLY 225.A N ASP 222.A O no hydrogen 3.102 N/A PHE 227.A N GLY 241.A O no hydrogen 2.951 N/A VAL 228.A N ARG 163.A O no hydrogen 2.952 N/A MET 229.A N TYR 238.A O no hydrogen 2.951 N/A LYS 230.A NZ GLU 9.A OE1 no hydrogen 2.661 N/A LYS 230.A NZ GLU 18C.A OE1 no hydrogen 2.722 N/A SER 231.A N ARG 236.A O no hydrogen 2.831 N/A ARG 236.A NH2 CYS 2.A O no hydrogen 2.708 N/A TRP 237.A N GLY 3.A O no hydrogen 3.112 N/A TRP 237.A NE1 GLU 9.A OE1 no hydrogen 2.893 N/A TYR 238.A N MET 229.A O no hydrogen 2.870 N/A TYR 238.A OH ASN 234B.A OD1 no hydrogen 2.900 N/A GLN 239.A N CYS 145.A O no hydrogen 2.831 N/A GLN 239.A NE2 GLY 241.A O no hydrogen 2.942 N/A MET 240.A N PHE 227.A O no hydrogen 3.001 N/A GLY 241.A N PHE 227.A O no hydrogen 3.160 N/A ILE 242.A N THR 259.A O no hydrogen 3.210 N/A VAL 243.A N GLY 225.A O no hydrogen 2.874 N/A SER 244.A N PHE 257.A O no hydrogen 3.023 N/A SER 244.A OG ASP 125.A OD2 no hydrogen 2.647 N/A TRP 245.A N PHE 257.A O no hydrogen 3.214 N/A CYS 249.A N GLU 172.A OE2 no hydrogen 3.132 N/A CYS 249.A SG ALA 218.A O no hydrogen 3.921 N/A ASP 250.A N ASP 217.A OD1 no hydrogen 2.951 N/A LYS 254.A N ARG 251A.A O no hydrogen 3.226 N/A LYS 254.A NZ SER 194.A O no hydrogen 2.719 N/A LYS 254.A NZ GLU 247.A OE1 no hydrogen 2.779 N/A LYS 254.A NZ GLU 247.A OE2 no hydrogen 2.900 N/A GLY 256.A N ALA 206.A O no hydrogen 3.152 N/A PHE 257.A N TRP 245.A O no hydrogen 2.978 N/A TYR 258.A N PHE 204.A O no hydrogen 2.904 N/A THR 259.A N ILE 242.A O no hydrogen 2.857 N/A THR 259.A OG1 ASP 125.A O no hydrogen 2.822 N/A HIS 260.A N ASN 202.A O no hydrogen 2.882 N/A VAL 261.A N MET 240.A O no hydrogen 3.176 N/A ARG 263.A N HIS 260.A ND1 no hydrogen 3.342 N/A ARG 263.A NH2 ASN 202.A OD1 no hydrogen 3.445 N/A LEU 264.A N VAL 261.A O no hydrogen 2.925 N/A LYS 265.A N PHE 262.A O no hydrogen 3.025 N/A LYS 265.A NZ PRO 147.A O no hydrogen 2.841 N/A TRP 267.A N LEU 264.A O no hydrogen 3.122 N/A ILE 268.A N LEU 264.A O no hydrogen 3.287 N/A GLN 269.A N LYS 265.A O no hydrogen 2.868 N/A LYS 270.A N LYS 266.A O no hydrogen 3.070 N/A VAL 271.A N TRP 267.A O no hydrogen 3.016 N/A ILE 272.A N ILE 268.A O no hydrogen 2.925 N/A ASP 273.A N GLN 269.A O no hydrogen 2.891 N/A GLN 274.A N LYS 270.A O no hydrogen 3.062 N/A PHE 275.A N VAL 271.A O no hydrogen 2.910 N/A LYS 16A.A N GLU 34.A OE2 no hydrogen 2.933 N/A LYS 16A.A NZ ASP 32.A O no hydrogen 2.931 N/A TYR 73A.A N LYS 78F.A O no hydrogen 2.886 N/A ARG 99A.A N TYR 97.A O no hydrogen 2.755 N/A ALA 153A.A N ARG 149.A O no hydrogen 2.934 N/A TYR 208A.A OH ASN 182.A O no hydrogen 3.281 N/A PHE 233A.A N SER 231.A OG no hydrogen 3.046 N/A ARG 251A.A NE GLU 172.A OE2 no hydrogen 3.062 N/A ARG 251A.A NH2 GLU 172.A OE1 no hydrogen 2.766 N/A THR 17B.A N ASP 15.A OD2 no hydrogen 3.013 N/A SER 154B.A N GLU 150.A O no hydrogen 3.045 N/A SER 154B.A OG GLU 150.A O no hydrogen 2.816 N/A SER 154B.A OG THR 151.A O no hydrogen 3.227 N/A GLU 212B.A N LYS 209.A O no hydrogen 2.966 N/A ASN 234B.A N SER 231.A OG no hydrogen 3.354 N/A LEU 155C.A N THR 151.A O no hydrogen 2.949 N/A ARG 19D.A NE GLU 23H.A OE2 no hydrogen 2.781 N/A TRP 76D.A N TYR 73A.A O no hydrogen 2.855 N/A GLU 20E.A N THR 17B.A O no hydrogen 3.153 N/A ASP 77E.A N PRO 74B.A O no hydrogen 2.870 N/A LYS 78F.A N TYR 73A.A O no hydrogen 3.343 N/A LYS 78F.A NZ HIS 69.A O no hydrogen 3.369 N/A LEU 22G.A N GLU 18C.A O no hydrogen 3.117 N/A GLU 23H.A N ARG 19D.A O no hydrogen 2.838 N/A PHE 80H.A N LEU 71.A O no hydrogen 2.890 N/A SER 24I.A N LEU 21F.A O no hydrogen 2.974 N/A SER 24I.A OG LEU 21F.A O no hydrogen 2.614 N/A THR 81I.A OG1 ASP 84.A OD2 no hydrogen 2.939 N/A TYR 25J.A N LEU 22G.A O no hydrogen 3.294 N/A TYR 25J.A OH LYS 161.A O no hydrogen 3.139 N/A