Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3zep_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N VAL 76.A O no hydrogen 2.834 N/A ARG 7.A NE GLU 5.A OE1 no hydrogen 3.286 N/A ARG 7.A NH2 GLU 5.A OE1 no hydrogen 3.296 N/A HIS 8.A N GLU 5.A O no hydrogen 3.251 N/A LEU 9.A N GLU 6.A O no hydrogen 3.212 N/A LYS 10.A N ARG 27.A O no hydrogen 2.888 N/A ILE 12.A N LEU 25.A O no hydrogen 3.012 N/A SER 13.A N LEU 25.A O no hydrogen 3.265 N/A GLN 14.A NE2 TYR 11.A OH no hydrogen 2.967 N/A GLN 14.A NE2 GLU 24.A OE2 no hydrogen 2.904 N/A LEU 15.A N VAL 23.A O no hydrogen 3.083 N/A GLY 16.A N VAL 23.A O no hydrogen 3.439 N/A LYS 17.A NZ GLY 21.A O no hydrogen 3.509 N/A ASN 19.A N ASP 149.A OD2 no hydrogen 3.044 N/A ASN 19.A ND2 ASP 131.A OD2 no hydrogen 2.920 N/A SER 22.A N GLN 43.A O no hydrogen 2.899 N/A VAL 23.A N GLY 16.A O no hydrogen 2.777 N/A GLU 24.A N VAL 41.A O no hydrogen 2.903 N/A LEU 25.A N SER 13.A O no hydrogen 2.760 N/A CYS 26.A N VAL 39.A O no hydrogen 3.000 N/A ARG 27.A N LYS 10.A O no hydrogen 2.820 N/A ARG 27.A NH1 GLY 36.A O no hydrogen 2.813 N/A TYR 28.A N ALA 37.A O no hydrogen 3.030 N/A ASP 29.A N HIS 8.A O no hydrogen 3.049 N/A GLY 32.A N ASP 29.A O no hydrogen 3.333 N/A ASP 33.A N ASP 29.A OD2 no hydrogen 2.701 N/A THR 35.A N ASP 29.A OD1 no hydrogen 3.152 N/A THR 35.A OG1 ASP 33.A OD1 no hydrogen 2.789 N/A THR 35.A OG1 ASP 33.A OD2 no hydrogen 3.470 N/A VAL 39.A N CYS 26.A O no hydrogen 2.795 N/A ALA 40.A N MET 84.A O no hydrogen 2.763 N/A VAL 41.A N GLU 24.A O no hydrogen 2.843 N/A LYS 42.A N LEU 82.A O no hydrogen 2.714 N/A LYS 42.A NZ PHE 20.A O no hydrogen 3.544 N/A LYS 42.A NZ GLU 58.A OE1 no hydrogen 2.724 N/A LYS 42.A NZ GLU 58.A OE2 no hydrogen 3.195 N/A GLN 43.A N SER 22.A O no hydrogen 2.960 N/A GLN 43.A NE2 SER 22.A OG no hydrogen 2.934 N/A SER 47.A OG GLN 52.A OE1 no hydrogen 2.960 N/A GLY 48.A N GLN 51.A OE1 no hydrogen 3.370 N/A GLN 52.A N GLY 48.A O no hydrogen 3.316 N/A ARG 53.A N PRO 49.A O no hydrogen 3.139 N/A ASP 54.A N ASP 50.A O no hydrogen 3.174 N/A PHE 55.A N GLN 51.A O no hydrogen 3.034 N/A GLN 56.A N GLN 52.A O no hydrogen 3.219 N/A ARG 57.A N ARG 53.A O no hydrogen 3.186 N/A ARG 57.A NH2 ASP 54.A OD1 no hydrogen 3.298 N/A GLU 58.A N ASP 54.A O no hydrogen 2.833 N/A ILE 59.A N PHE 55.A O no hydrogen 3.094 N/A ILE 61.A N ARG 57.A O no hydrogen 3.061 N/A LEU 62.A N GLU 58.A O no hydrogen 2.956 N/A LYS 63.A N ILE 59.A O no hydrogen 2.932 N/A ALA 64.A N GLN 60.A O no hydrogen 3.359 N/A ALA 64.A N ILE 61.A O no hydrogen 3.093 N/A LEU 65.A N ILE 61.A O no hydrogen 3.169 N/A HIS 66.A N TYR 121.A OH no hydrogen 2.928 N/A PHE 69.A N SER 67.A OG no hydrogen 3.197 N/A VAL 71.A N ILE 147.A O no hydrogen 2.838 N/A LYS 72.A N GLU 85.A OE2 no hydrogen 3.280 N/A ARG 74.A N VAL 83.A O no hydrogen 2.888 N/A GLY 75.A N VAL 83.A O no hydrogen 3.130 N/A VAL 76.A N THR 2.A O no hydrogen 2.802 N/A SER 77.A N ARG 81.A O no hydrogen 2.912 N/A SER 77.A OG PHE 4.A O no hydrogen 2.817 N/A SER 79.A OG GLU 6.A OE2 no hydrogen 3.019 N/A ARG 81.A N SER 77.A O no hydrogen 2.727 N/A ARG 81.A NH1 GLN 43.A OE1 no hydrogen 3.488 N/A LEU 82.A N LYS 42.A O no hydrogen 2.846 N/A VAL 83.A N GLY 75.A O no hydrogen 2.856 N/A MET 84.A N ALA 40.A O no hydrogen 2.637 N/A GLU 85.A N LYS 72.A O no hydrogen 3.140 N/A GLY 90.A N LEU 87.A O no hydrogen 3.228 N/A CYS 91.A SG ASP 94.A OD2 no hydrogen 3.297 N/A LEU 92.A N ILE 137.A O no hydrogen 2.807 N/A PHE 95.A N CYS 91.A O no hydrogen 3.239 N/A LEU 96.A N LEU 92.A O no hydrogen 2.849 N/A GLN 97.A N ARG 93.A O no hydrogen 3.405 N/A GLN 97.A NE2 CYS 204.A O no hydrogen 2.754 N/A ARG 98.A N ASP 94.A O no hydrogen 2.960 N/A HIS 99.A N PHE 95.A O no hydrogen 3.015 N/A SER 106.A OG ASP 104.A OD1 no hydrogen 2.652 N/A ARG 107.A N ASP 104.A O no hydrogen 3.234 N/A ARG 107.A N ASP 104.A OD1 no hydrogen 3.249 N/A LEU 108.A N ASP 104.A O no hydrogen 3.312 N/A LEU 109.A N ALA 105.A O no hydrogen 2.902 N/A LEU 110.A N SER 106.A O no hydrogen 3.106 N/A TYR 111.A N ARG 107.A O no hydrogen 3.129 N/A TYR 111.A OH GLU 142.A O no hydrogen 2.682 N/A SER 112.A N LEU 108.A O no hydrogen 3.072 N/A SER 112.A OG LEU 108.A O no hydrogen 2.817 N/A SER 113.A N LEU 109.A O no hydrogen 2.958 N/A SER 113.A OG ASP 272.A OD1 no hydrogen 2.570 N/A GLN 114.A N LEU 110.A O no hydrogen 3.041 N/A GLN 114.A NE2 ALA 143.A O no hydrogen 3.019 N/A ILE 115.A N TYR 111.A O no hydrogen 2.993 N/A CYS 116.A N SER 112.A O no hydrogen 3.036 N/A CYS 116.A SG PHE 264.A O no hydrogen 3.243 N/A LYS 117.A N SER 113.A O no hydrogen 2.993 N/A LYS 117.A NZ SER 113.A OG no hydrogen 3.428 N/A GLY 118.A N GLN 114.A O no hydrogen 3.070 N/A MET 119.A N ILE 115.A O no hydrogen 2.853 N/A GLU 120.A N CYS 116.A O no hydrogen 2.766 N/A TYR 121.A N LYS 117.A O no hydrogen 3.036 N/A LEU 122.A N GLY 118.A O no hydrogen 3.049 N/A GLY 123.A N MET 119.A O no hydrogen 2.918 N/A SER 124.A N GLU 120.A O no hydrogen 3.084 N/A SER 124.A OG TYR 121.A O no hydrogen 2.699 N/A ARG 125.A N TYR 121.A O no hydrogen 3.147 N/A ARG 125.A NH1 ALA 64.A O no hydrogen 3.040 N/A ARG 126.A N GLY 123.A O no hydrogen 3.009 N/A ARG 126.A NH1 PRO 157.A O no hydrogen 3.543 N/A ARG 126.A NH2 PRO 157.A O no hydrogen 3.061 N/A CYS 127.A N LEU 122.A O no hydrogen 3.076 N/A CYS 127.A SG VAL 128.A O no hydrogen 3.941 N/A CYS 127.A SG LYS 154.A O no hydrogen 3.730 N/A VAL 128.A N LYS 154.A O no hydrogen 2.764 N/A HIS 129.A N ASP 189.A OD2 no hydrogen 2.934 N/A HIS 129.A NE2 ALA 148.A O no hydrogen 2.947 N/A ARG 130.A N ASP 189.A OD1 no hydrogen 3.270 N/A ARG 130.A NE LEU 152.A O no hydrogen 2.748 N/A ARG 130.A NH2 GLN 168.A OE1 no hydrogen 3.432 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 3.337 N/A ALA 134.A N GLU 199.A OE1 no hydrogen 3.150 N/A ARG 135.A NH2 ASP 131.A OD1 no hydrogen 3.373 N/A ASN 136.A N ALA 133.A O no hydrogen 2.985 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.713 N/A ASN 136.A ND2 ASP 131.A OD2 no hydrogen 2.711 N/A ILE 137.A N ALA 134.A O no hydrogen 3.332 N/A LEU 138.A N LYS 146.A O no hydrogen 2.739 N/A VAL 139.A N GLY 90.A O no hydrogen 2.731 N/A GLU 140.A N HIS 144.A O no hydrogen 2.937 N/A SER 141.A N HIS 144.A O no hydrogen 3.278 N/A ALA 143.A N SER 141.A OG no hydrogen 3.393 N/A HIS 144.A N SER 141.A O no hydrogen 3.381 N/A HIS 144.A NE2 ASP 68.A O no hydrogen 2.784 N/A VAL 145.A N GLN 114.A OE1 no hydrogen 3.108 N/A LYS 146.A N LEU 138.A O no hydrogen 2.911 N/A LYS 146.A NZ GLU 85.A OE1 no hydrogen 3.407 N/A LYS 146.A NZ GLU 85.A OE2 no hydrogen 2.594 N/A ILE 147.A N PHE 69.A O no hydrogen 2.820 N/A ALA 148.A N ASN 136.A O no hydrogen 2.818 N/A ALA 153.A N PHE 150.A O no hydrogen 3.282 N/A LYS 154.A N VAL 128.A O no hydrogen 2.976 N/A LYS 154.A NZ ASP 54.A OD1 no hydrogen 3.303 N/A LEU 156.A N ARG 126.A O no hydrogen 2.981 N/A LYS 160.A N PRO 157.A O no hydrogen 3.421 N/A VAL 163.A N ASN 182.A O no hydrogen 3.132 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.741 N/A SER 169.A OG ASN 19.A OD1 no hydrogen 2.888 N/A TRP 173.A NE1 GLU 199.A OE1 no hydrogen 2.981 N/A TYR 174.A N ILE 171.A O no hydrogen 2.988 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.691 N/A SER 178.A N ALA 175.A O no hydrogen 3.230 N/A SER 178.A OG ILE 183.A O no hydrogen 2.670 N/A LEU 179.A N ALA 175.A O no hydrogen 3.117 N/A SER 180.A N PRO 176.A O no hydrogen 2.893 N/A SER 180.A OG PRO 176.A O no hydrogen 2.917 N/A SER 180.A OG ASP 181.A OD2 no hydrogen 2.919 N/A ASP 181.A N GLU 177.A O no hydrogen 3.068 N/A ASN 182.A N SER 178.A O no hydrogen 2.985 N/A ASN 182.A ND2 SER 178.A O no hydrogen 3.261 N/A ILE 183.A N GLU 177.A O no hydrogen 3.200 N/A SER 185.A N SER 188.A OG no hydrogen 2.762 N/A SER 185.A OG GLN 187.A OE1 no hydrogen 3.312 N/A ARG 186.A NH1 GLY 123.A O no hydrogen 3.053 N/A GLN 187.A N SER 185.A OG no hydrogen 3.284 N/A GLN 187.A N GLN 187.A OE1 no hydrogen 2.705 N/A SER 188.A OG SER 185.A O no hydrogen 2.713 N/A ASP 189.A N SER 185.A O no hydrogen 3.226 N/A VAL 190.A N ARG 186.A O no hydrogen 3.106 N/A TRP 191.A N GLN 187.A O no hydrogen 3.196 N/A SER 192.A N SER 188.A O no hydrogen 3.259 N/A SER 192.A OG TRP 173.A O no hydrogen 2.842 N/A SER 192.A OG SER 188.A O no hydrogen 3.307 N/A PHE 193.A N ASP 189.A O no hydrogen 2.920 N/A GLY 194.A N VAL 190.A O no hydrogen 3.195 N/A VAL 196.A N SER 192.A O no hydrogen 2.987 N/A LEU 197.A N PHE 193.A O no hydrogen 2.795 N/A TYR 198.A N GLY 194.A O no hydrogen 2.998 N/A TYR 198.A OH CYS 208.A O no hydrogen 2.615 N/A GLU 199.A N VAL 195.A O no hydrogen 2.740 N/A LEU 200.A N VAL 196.A O no hydrogen 2.896 N/A PHE 201.A N LEU 197.A O no hydrogen 3.186 N/A THR 202.A N TYR 198.A O no hydrogen 3.059 N/A THR 202.A N GLU 199.A O no hydrogen 3.206 N/A THR 202.A OG1 TYR 198.A O no hydrogen 3.067 N/A THR 202.A OG1 GLU 199.A O no hydrogen 2.944 N/A TYR 203.A N LEU 200.A O no hydrogen 2.808 N/A TYR 203.A OH LEU 103.A O no hydrogen 2.835 N/A CYS 204.A N GLU 199.A O no hydrogen 2.800 N/A CYS 204.A SG GLU 199.A O no hydrogen 3.967 N/A ASP 205.A N THR 202.A O no hydrogen 3.047 N/A SER 207.A OG ASP 205.A OD2 no hydrogen 2.644 N/A CYS 208.A SG ASP 205.A OD2 no hydrogen 3.721 N/A SER 209.A OG LYS 206.A O no hydrogen 3.110 N/A SER 209.A OG SER 211.A OG no hydrogen 3.167 N/A SER 211.A OG SER 209.A OG no hydrogen 3.167 N/A ALA 212.A N SER 209.A OG no hydrogen 3.123 N/A GLU 213.A N SER 209.A O no hydrogen 2.864 N/A PHE 214.A N PRO 210.A O no hydrogen 3.013 N/A LEU 215.A N SER 211.A O no hydrogen 2.911 N/A MET 217.A N GLU 213.A O no hydrogen 3.386 N/A MET 218.A N PHE 214.A O no hydrogen 2.836 N/A GLY 219.A N LEU 215.A O no hydrogen 3.240 N/A ARG 225.A N PRO 221.A O no hydrogen 3.049 N/A ARG 225.A NE MET 218.A O no hydrogen 3.081 N/A LEU 226.A N ALA 222.A O no hydrogen 3.224 N/A LEU 227.A N LEU 223.A O no hydrogen 3.239 N/A GLU 228.A N SER 224.A O no hydrogen 3.111 N/A LEU 229.A N ARG 225.A O no hydrogen 3.066 N/A LEU 230.A N LEU 226.A O no hydrogen 3.049 N/A GLU 231.A N LEU 227.A O no hydrogen 2.970 N/A GLU 232.A N GLU 228.A O no hydrogen 2.942 N/A GLY 233.A N LEU 230.A O no hydrogen 3.195 N/A GLN 234.A N LEU 229.A O no hydrogen 2.936 N/A ARG 235.A N GLN 234.A OE1 no hydrogen 3.079 N/A ARG 235.A NE TRP 254.A O no hydrogen 3.074 N/A ARG 235.A NH1 LEU 230.A O no hydrogen 2.951 N/A ARG 235.A NH1 GLN 234.A O no hydrogen 3.068 N/A CYS 242.A N PRO 239.A O no hydrogen 3.118 N/A CYS 242.A SG PRO 243.A O no hydrogen 3.544 N/A GLU 245.A N GLU 245.A OE1 no hydrogen 2.893 N/A HIS 247.A N PRO 243.A O no hydrogen 3.153 N/A GLU 248.A N ALA 244.A O no hydrogen 3.072 N/A LEU 249.A N GLU 245.A O no hydrogen 3.328 N/A MET 250.A N VAL 246.A O no hydrogen 3.144 N/A LYS 251.A N HIS 247.A O no hydrogen 3.266 N/A LYS 251.A NZ GLU 248.A OE1 no hydrogen 3.490 N/A LYS 251.A NZ GLU 248.A OE2 no hydrogen 3.025 N/A LEU 252.A N GLU 248.A O no hydrogen 3.091 N/A CYS 253.A N LEU 249.A O no hydrogen 2.950 N/A CYS 253.A SG LEU 249.A O no hydrogen 3.237 N/A TRP 254.A N MET 250.A O no hydrogen 2.915 N/A ALA 255.A N LEU 252.A O no hydrogen 3.379 N/A GLN 259.A N GLN 259.A OE1 no hydrogen 2.918 N/A ARG 261.A N PRO 258.A O no hydrogen 3.125 N/A ARG 261.A NE ALA 255.A O no hydrogen 2.932 N/A ARG 261.A NH1 GLU 177.A OE2 no hydrogen 2.790 N/A ARG 261.A NH1 GLN 187.A O no hydrogen 3.202 N/A ARG 261.A NH2 GLU 177.A OE1 no hydrogen 3.037 N/A ARG 261.A NH2 ALA 255.A O no hydrogen 3.274 N/A ARG 261.A NH2 PRO 256.A O no hydrogen 3.278 N/A SER 265.A OG GLU 120.A OE2 no hydrogen 2.761 N/A ALA 266.A N SER 263.A O no hydrogen 3.069 N/A LEU 267.A N SER 263.A O no hydrogen 2.912 N/A GLY 268.A N PHE 264.A O no hydrogen 3.036 N/A GLN 270.A NE2 ALA 266.A O no hydrogen 2.719 N/A LEU 271.A N LEU 267.A O no hydrogen 3.037 N/A ASP 272.A N GLY 268.A O no hydrogen 3.060 N/A MET 273.A N PRO 269.A O no hydrogen 3.043 N/A LEU 274.A N LEU 271.A O no hydrogen 3.357 N/A