Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kep_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N GLU 40.A O no hydrogen 3.008 N/A VAL 5.A N TYR 266.A O no hydrogen 2.881 N/A TYR 6.A N LEU 38.A O no hydrogen 2.796 N/A LEU 8.A N SER 36.A O no hydrogen 2.863 N/A GLY 10.A N VAL 34.A O no hydrogen 2.771 N/A GLY 11.A N ASP 9.A OD1 no hydrogen 3.047 N/A SER 12.A N ILE 67.A O no hydrogen 2.819 N/A LEU 13.A N PHE 32.A O no hydrogen 2.955 N/A VAL 14.A N GLU 64.A O no hydrogen 2.745 N/A LEU 15.A N VAL 30.A O no hydrogen 3.073 N/A ASP 16.A N HIS 19.A ND1 no hydrogen 3.029 N/A GLY 17.A N GLY 28.A O no hydrogen 2.831 N/A TYR 18.A N ASP 16.A OD1 no hydrogen 2.976 N/A HIS 19.A N ASP 16.A O no hydrogen 2.811 N/A VAL 20.A N ASP 16.A O no hydrogen 3.225 N/A PHE 21.A N GLY 17.A O no hydrogen 2.844 N/A TRP 22.A N GLN 219.A O no hydrogen 2.956 N/A ARG 24.A N PHE 21.A O no hydrogen 3.078 N/A GLY 25.A N PHE 21.A O no hydrogen 2.909 N/A GLY 28.A N ASP 16.A OD2 no hydrogen 2.847 N/A VAL 30.A N LEU 15.A O no hydrogen 2.872 N/A ARG 31.A NH1 SER 12.A OG no hydrogen 2.943 N/A ARG 31.A NH1 LYS 65.A O no hydrogen 3.008 N/A ARG 31.A NH2 LYS 65.A O no hydrogen 2.826 N/A PHE 32.A N LEU 13.A O no hydrogen 2.840 N/A VAL 34.A N GLY 11.A O no hydrogen 3.006 N/A TYR 35.A OH TYR 249.A O no hydrogen 2.707 N/A SER 36.A N LEU 8.A O no hydrogen 3.097 N/A ILE 37.A N ILE 48.A O no hydrogen 2.931 N/A LEU 38.A N TYR 6.A O no hydrogen 2.799 N/A ILE 39.A N PHE 46.A O no hydrogen 2.748 N/A GLU 40.A N LYS 4.A O no hydrogen 2.843 N/A HIS 41.A N GLY 44.A O no hydrogen 2.857 N/A HIS 41.A NE2 ARG 174.A O.A no hydrogen 2.774 N/A HIS 41.A NE2 ARG 174.A O.B no hydrogen 2.813 N/A GLU 43.A N HIS 41.A ND1 no hydrogen 2.942 N/A GLY 44.A N HIS 41.A O no hydrogen 3.035 N/A ARG 45.A N ASP 89.A OD2 no hydrogen 2.895 N/A ARG 45.A NE GLU 40.A OE2 no hydrogen 3.060 N/A ARG 45.A NH2 GLU 40.A OE2 no hydrogen 3.378 N/A PHE 46.A N ILE 39.A O no hydrogen 2.944 N/A LEU 47.A N VAL 90.A O no hydrogen 2.805 N/A ILE 48.A N ILE 37.A O no hydrogen 2.781 N/A ASP 49.A N VAL 92.A O no hydrogen 2.728 N/A THR 50.A N HIS 100.A O no hydrogen 3.015 N/A THR 50.A OG1 HIS 100.A O no hydrogen 3.558 N/A THR 50.A OG1 ASN 104.A OD1 no hydrogen 2.660 N/A TYR 52.A OH SER 12.A O no hydrogen 2.850 N/A TYR 52.A OH ILE 67.A O no hydrogen 3.066 N/A HIS 56.A N ASP 53.A OD1 no hydrogen 2.816 N/A HIS 56.A NE2 SER 134.A OG no hydrogen 2.931 N/A VAL 57.A N ASP 53.A O no hydrogen 3.086 N/A MET 58.A N TYR 54.A O no hydrogen 2.965 N/A LYS 59.A N ASP 55.A O no hydrogen 2.983 N/A LYS 59.A N HIS 56.A O no hydrogen 3.243 N/A VAL 60.A N HIS 56.A O no hydrogen 2.832 N/A LEU 61.A N VAL 57.A O no hydrogen 2.699 N/A GLU 64.A N LEU 61.A O no hydrogen 2.949 N/A LYS 65.A N PRO 62.A O no hydrogen 2.993 N/A LYS 65.A NZ GLU 29.A OE1 no hydrogen 2.370 N/A ILE 67.A N SER 12.A O no hydrogen 3.069 N/A GLN 68.A NE2 GLY 10.A O no hydrogen 3.080 N/A GLN 68.A NE2 TYR 52.A O no hydrogen 3.230 N/A GLU 69.A N GLN 72.A OE1 no hydrogen 2.714 N/A GLN 72.A N GLU 69.A O no hydrogen 2.793 N/A THR 73.A OG1 LYS 70.A O no hydrogen 3.213 N/A GLY 76.A N THR 73.A OG1 no hydrogen 2.877 N/A ALA 77.A N THR 73.A O no hydrogen 2.797 N/A LEU 78.A N ILE 74.A O no hydrogen 2.952 N/A GLY 79.A N PRO 75.A O no hydrogen 2.910 N/A LEU 80.A N GLY 76.A O no hydrogen 3.286 N/A LEU 81.A N LEU 78.A O no hydrogen 2.935 N/A GLY 82.A N GLY 79.A O no hydrogen 2.951 N/A LEU 83.A N LEU 78.A O no hydrogen 2.900 N/A GLU 84.A N ASP 87.A OD2 no hydrogen 2.826 N/A ARG 86.A NH2.B ARG 86.A O.B no hydrogen 2.963 N/A ASP 87.A N GLU 84.A O no hydrogen 2.860 N/A ILE 88.A N PRO 85.A O no hydrogen 3.020 N/A ASP 89.A N ARG 45.A O no hydrogen 2.909 N/A VAL 90.A N ARG 45.A O no hydrogen 3.309 N/A VAL 91.A N LYS 111.A O no hydrogen 2.831 N/A VAL 92.A N LEU 47.A O no hydrogen 2.845 N/A ASN 93.A N ILE 113.A O no hydrogen 3.000 N/A ASN 93.A ND2 HIS 100.A O no hydrogen 2.932 N/A ASN 93.A ND2 ASN 104.A OD1 no hydrogen 2.987 N/A SER 94.A N ASP 49.A OD2 no hydrogen 2.766 N/A SER 94.A OG ASP 49.A OD1 no hydrogen 2.705 N/A SER 94.A OG ASP 49.A OD2 no hydrogen 3.039 N/A SER 94.A OG HIS 95.A ND1 no hydrogen 2.835 N/A HIS 95.A ND1 SER 94.A OG no hydrogen 2.835 N/A PHE 96.A N GLU 118.A OE1 no hydrogen 3.238 N/A PHE 98.A N GLY 132.A O no hydrogen 2.853 N/A ASP 99.A N ASP 99.A OD1 no hydrogen 2.583 N/A HIS 100.A N HIS 97.A O no hydrogen 3.028 N/A HIS 100.A ND1 ASP 49.A OD1 no hydrogen 2.832 N/A CYS 101.A SG PHE 96.A O no hydrogen 3.709 N/A CYS 101.A SG HIS 97.A O no hydrogen 3.452 N/A CYS 101.A SG ASP 135.A O no hydrogen 3.951 N/A GLY 102.A N GLY 51.A O no hydrogen 2.855 N/A GLY 103.A N THR 50.A OG1 no hydrogen 2.981 N/A ASN 104.A N CYS 101.A O no hydrogen 3.281 N/A ASN 104.A ND2 ASN 93.A OD1 no hydrogen 2.854 N/A LYS 105.A NZ ASP 53.A OD2 no hydrogen 3.323 N/A TYR 106.A N GLY 103.A O no hydrogen 3.099 N/A PHE 107.A N ASN 104.A O no hydrogen 2.905 N/A HIS 109.A NE2 ILE 88.A O no hydrogen 2.873 N/A ALA 110.A N PHE 107.A O no hydrogen 3.074 N/A LYS 111.A N ASP 89.A O no hydrogen 3.057 N/A LYS 112.A NZ PHE 107.A O no hydrogen 2.817 N/A LYS 112.A NZ ALA 110.A O no hydrogen 2.966 N/A LYS 112.A NZ ASN 160.A O no hydrogen 2.858 N/A ILE 113.A N VAL 91.A O no hydrogen 2.919 N/A CYS 114.A N GLU 164.A O no hydrogen 3.211 N/A CYS 114.A SG HIS 115.A O no hydrogen 3.377 N/A HIS 115.A NE2 ASP 167.A OD1 no hydrogen 2.769 N/A ARG 116.A N ILE 166.A O no hydrogen 2.808 N/A SER 117.A N HIS 115.A ND1 no hydrogen 2.950 N/A SER 117.A OG HIS 115.A ND1 no hydrogen 2.707 N/A GLU 118.A N HIS 115.A O no hydrogen 2.969 N/A GLN 121.A N SER 117.A O no hydrogen 3.056 N/A GLN 121.A NE2 GLU 129.A OE2 no hydrogen 2.820 N/A ALA 122.A N GLU 118.A O no hydrogen 3.010 N/A CYS 123.A N VAL 119.A O no hydrogen 3.028 N/A CYS 123.A SG VAL 119.A O no hydrogen 3.374 N/A ASN 124.A N PRO 120.A O no hydrogen 3.015 N/A GLN 126.A N GLU 129.A OE2 no hydrogen 2.976 N/A GLU 129.A N GLN 126.A O no hydrogen 2.756 N/A HIS 130.A ND1 GLN 126.A O no hydrogen 3.154 N/A TYR 133.A N GLU 129.A O no hydrogen 2.963 N/A TYR 133.A OH GLU 118.A OE1 no hydrogen 2.741 N/A TYR 133.A OH GLU 118.A OE2 no hydrogen 3.311 N/A SER 134.A OG HIS 56.A NE2 no hydrogen 2.931 N/A SER 134.A OG LEU 131.A O no hydrogen 2.707 N/A LEU 136.A N GLN 151.A OE1 no hydrogen 2.701 N/A SER 137.A N ASP 135.A OD2 no hydrogen 3.039 N/A SER 137.A OG ASP 135.A OD2 no hydrogen 2.685 N/A SER 139.A N LEU 136.A O no hydrogen 3.152 N/A ALA 140.A N SER 161.A OG no hydrogen 2.971 N/A ALA 142.A N SER 139.A OG no hydrogen 3.134 N/A ALA 143.A N SER 139.A O no hydrogen 2.911 N/A GLU 144.A N ALA 140.A O no hydrogen 2.937 N/A ALA 145.A N GLU 141.A O no hydrogen 3.034 N/A ARG 146.A N ALA 142.A O no hydrogen 3.003 N/A ARG 146.A N ALA 143.A O no hydrogen 3.188 N/A ARG 146.A NH1 ALA 122.A O no hydrogen 2.977 N/A ARG 146.A NH1 TYR 133.A O no hydrogen 2.735 N/A ARG 146.A NH2 HIS 130.A O no hydrogen 3.238 N/A ARG 146.A NH2 TYR 133.A O no hydrogen 3.044 N/A GLY 147.A N GLU 144.A O no hydrogen 3.306 N/A ALA 148.A N ALA 143.A O no hydrogen 2.755 N/A GLN 151.A N ALA 148.A O no hydrogen 2.925 N/A GLN 151.A NE2 SER 134.A O no hydrogen 2.965 N/A LEU 152.A N THR 149.A O no hydrogen 3.022 N/A THR 156.A N LEU 153.A O no hydrogen 3.140 N/A THR 156.A OG1 LEU 153.A O no hydrogen 2.946 N/A THR 157.A N ASN 160.A OD1 no hydrogen 2.800 N/A ARG 158.A NH2 GLU 144.A OE1 no hydrogen 2.884 N/A ASN 160.A N THR 157.A OG1 no hydrogen 3.099 N/A ASN 160.A ND2 GLY 155.A O no hydrogen 2.883 N/A SER 161.A N ARG 158.A O no hydrogen 3.309 N/A SER 161.A OG THR 157.A O no hydrogen 2.600 N/A THR 162.A OG1 ARG 158.A O no hydrogen 2.424 N/A GLU 164.A N LYS 112.A O no hydrogen 2.790 N/A ILE 166.A N CYS 114.A O no hydrogen 2.939 N/A VAL 170.A N LEU 178.A O no hydrogen 3.095 N/A LEU 172.A N VAL 176.A O no hydrogen 2.815 N/A ALA 173.A N VAL 176.A O no hydrogen 3.520 N/A ARG 174.A N.A GLU 43.A OE2 no hydrogen 2.913 N/A ARG 174.A N.B GLU 43.A OE2 no hydrogen 2.913 N/A VAL 176.A N ALA 173.A O no hydrogen 2.994 N/A LYS 177.A N LEU 192.A O no hydrogen 2.899 N/A LEU 178.A N VAL 170.A O no hydrogen 2.798 N/A ILE 179.A N SER 190.A O no hydrogen 2.802 N/A SER 180.A N ASP 169.A OD1 no hydrogen 2.857 N/A SER 180.A OG.B ASP 169.A OD1 no hydrogen 3.019 N/A THR 181.A N HIS 188.A O no hydrogen 2.857 N/A THR 181.A OG1 HIS 188.A ND1 no hydrogen 2.831 N/A THR 181.A OG1 HIS 188.A O no hydrogen 3.323 N/A THR 181.A OG1 SER 190.A OG no hydrogen 2.933 N/A GLY 183.A N SER 185.A O no hydrogen 2.923 N/A SER 185.A OG GLU 118.A OE2 no hydrogen 2.765 N/A GLY 187.A N GLU 118.A OE2 no hydrogen 2.874 N/A HIS 188.A N SER 185.A O no hydrogen 3.467 N/A HIS 188.A ND1 THR 181.A OG1 no hydrogen 2.831 N/A TYR 189.A N SER 94.A O no hydrogen 2.990 N/A TYR 189.A OH GLY 168.A O no hydrogen 2.751 N/A SER 190.A N ILE 179.A O no hydrogen 2.838 N/A SER 190.A OG THR 181.A OG1 no hydrogen 2.933 N/A SER 190.A OG THR 204.A O no hydrogen 2.694 N/A LEU 191.A N PHE 203.A O no hydrogen 2.923 N/A LEU 192.A N LYS 177.A O no hydrogen 2.828 N/A VAL 193.A N ILE 201.A O no hydrogen 2.794 N/A GLU 194.A N GLY 175.A O no hydrogen 2.717 N/A ARG 197.A NH1 ASP 2.A OD1 no hydrogen 2.271 N/A ARG 198.A NH1 LYS 199.A O no hydrogen 3.031 N/A ARG 198.A NH1 GLU 246.A OE1 no hydrogen 2.981 N/A ARG 198.A NH2 GLU 246.A OE1 no hydrogen 3.401 N/A LYS 199.A NZ GLY 244.A O no hydrogen 3.319 N/A ILE 201.A N VAL 193.A O no hydrogen 2.894 N/A LEU 202.A N GLU 246.A O no hydrogen 2.820 N/A PHE 203.A N LEU 191.A O no hydrogen 2.650 N/A THR 204.A N MET 248.A O no hydrogen 3.029 N/A THR 204.A OG1 ILE 205.A O no hydrogen 3.164 N/A THR 204.A OG1 ALA 208.A O no hydrogen 2.770 N/A THR 204.A OG1 MET 248.A O no hydrogen 3.468 N/A ASP 206.A N HIS 188.A NE2 no hydrogen 2.916 N/A ALA 207.A N THR 204.A O no hydrogen 3.234 N/A ALA 208.A N ILE 205.A O no hydrogen 3.399 N/A THR 210.A N SER 213.A OG no hydrogen 3.304 N/A THR 210.A OG1 SER 213.A OG no hydrogen 2.752 N/A GLN 211.A N ASP 252.A OD2 no hydrogen 3.046 N/A GLN 211.A NE2 GLU 215.A OE2 no hydrogen 3.110 N/A SER 213.A N THR 210.A OG1 no hydrogen 3.009 N/A SER 213.A OG THR 210.A OG1 no hydrogen 2.752 N/A LEU 214.A N THR 210.A O no hydrogen 3.286 N/A GLU 215.A N GLN 211.A O no hydrogen 2.987 N/A THR 216.A N LYS 212.A O no hydrogen 3.095 N/A THR 216.A OG1 LYS 212.A O no hydrogen 2.890 N/A LEU 217.A N LEU 214.A O no hydrogen 3.219 N/A CYS 218.A N SER 213.A O no hydrogen 3.016 N/A CYS 218.A SG TRP 22.A O no hydrogen 3.468 N/A CYS 218.A SG GLN 219.A O no hydrogen 3.932 N/A GLN 219.A NE2 PRO 226.A O no hydrogen 2.983 N/A ALA 221.A N HIS 19.A O no hydrogen 2.830 N/A ILE 224.A N GLY 183.A O no hydrogen 2.838 N/A ASP 225.A N GLY 183.A O no hydrogen 2.991 N/A VAL 227.A N ASP 225.A OD1 no hydrogen 3.030 N/A ALA 228.A N ASP 225.A OD1 no hydrogen 3.255 N/A GLY 229.A N ASP 225.A O no hydrogen 2.842 N/A VAL 230.A N PRO 226.A O no hydrogen 3.056 N/A ASN 231.A N VAL 227.A O no hydrogen 3.057 N/A SER 232.A N ALA 228.A O no hydrogen 2.821 N/A SER 232.A OG PRO 182.A O no hydrogen 2.687 N/A SER 232.A OG ALA 228.A O no hydrogen 3.166 N/A MET 233.A N GLY 229.A O no hydrogen 3.141 N/A ARG 234.A N VAL 230.A O no hydrogen 3.017 N/A LYS 235.A N ASN 231.A O no hydrogen 2.987 N/A LYS 235.A NZ ASP 169.A OD1 no hydrogen 2.858 N/A LYS 235.A NZ ASP 169.A OD2 no hydrogen 3.319 N/A LYS 235.A NZ SER 180.A O no hydrogen 2.735 N/A VAL 236.A N SER 232.A O no hydrogen 2.964 N/A LYS 237.A N MET 233.A O no hydrogen 2.825 N/A LYS 237.A NZ LEU 214.A O no hydrogen 3.098 N/A LYS 238.A N ARG 234.A O no hydrogen 2.980 N/A LYS 238.A NZ ASP 242.A OD2 no hydrogen 2.678 N/A LEU 239.A N LYS 235.A O no hydrogen 2.938 N/A ALA 240.A N VAL 236.A O no hydrogen 3.088 N/A GLU 241.A N LYS 237.A O no hydrogen 3.130 N/A ASP 242.A N LYS 238.A O no hydrogen 2.754 N/A HIS 243.A N ALA 240.A O no hydrogen 3.262 N/A GLY 244.A N GLU 241.A O no hydrogen 3.132 N/A ALA 245.A N ALA 240.A O no hydrogen 2.924 N/A GLU 246.A N PRO 200.A O no hydrogen 2.795 N/A MET 248.A N LEU 202.A O no hydrogen 3.035 N/A TYR 249.A N TYR 259.A OH no hydrogen 3.003 N/A SER 250.A OG ILE 205.A O no hydrogen 2.952 N/A SER 250.A OG ASP 206.A OD1 no hydrogen 3.193 N/A HIS 251.A N TYR 209.A O no hydrogen 2.951 N/A HIS 251.A ND1 PRO 33.A O no hydrogen 2.809 N/A ASN 255.A N ASP 252.A OD1 no hydrogen 3.261 N/A ASN 255.A ND2 GLN 211.A OE1 no hydrogen 3.081 N/A ASN 255.A ND2 ASP 252.A OD2 no hydrogen 2.755 N/A PHE 256.A N ASP 252.A O no hydrogen 2.736 N/A LYS 257.A N MET 253.A O no hydrogen 3.027 N/A THR 258.A N ASN 255.A O no hydrogen 2.861 N/A THR 258.A OG1 ASN 255.A O no hydrogen 2.609 N/A TYR 259.A N PHE 256.A O no hydrogen 3.037 N/A ARG 260.A N TYR 266.A OH no hydrogen 2.933 N/A ARG 260.A NH1 PHE 265.A O no hydrogen 2.593 N/A GLY 262.A N LEU 7.A O no hydrogen 3.413 N/A GLN 264.A N THR 261.A O no hydrogen 3.263 N/A TYR 266.A N VAL 5.A O no hydrogen 2.909 N/A HIS 272.A N HIS 270.A ND1 no hydrogen 3.036 N/A HIS 272.A ND1 HIS 273.A ND1 no hydrogen 2.786 N/A HIS 273.A ND1 HIS 272.A ND1 no hydrogen 2.786 N/A