Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cpb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH GLU 10.A OE1 no hydrogen 2.646 N/A LYS 8.A N ASP 5.A O no hydrogen 3.318 N/A LYS 8.A N ASP 5.A OD1 no hydrogen 3.294 N/A TRP 9.A N ASP 5.A O no hydrogen 3.189 N/A GLU 10.A N ALA 6.A O no hydrogen 2.808 N/A PHE 11.A N ALA 80.A O no hydrogen 2.903 N/A ARG 13.A NE PRO 87.A O no hydrogen 2.997 N/A ARG 13.A NH1 LYS 83.A O no hydrogen 2.611 N/A ARG 13.A NH1 PRO 87.A O no hydrogen 3.109 N/A ARG 13.A NH2 LYS 83.A O no hydrogen 2.870 N/A ARG 15.A N PRO 12.A O no hydrogen 3.273 N/A ARG 15.A NH2 PHE 30.A O no hydrogen 3.291 N/A LEU 16.A N ARG 13.A O no hydrogen 3.110 N/A LYS 17.A N ASP 28.A O no hydrogen 3.022 N/A GLY 19.A N GLU 26.A O no hydrogen 2.649 N/A LEU 22.A N VAL 24.A O no hydrogen 2.718 N/A ILE 25.A N VAL 43.A O no hydrogen 2.774 N/A GLU 26.A N LYS 20.A O no hydrogen 3.032 N/A ALA 27.A N VAL 41.A O no hydrogen 2.967 N/A ASP 28.A N LYS 17.A O no hydrogen 3.015 N/A ALA 29.A N ARG 39.A O no hydrogen 2.754 N/A PHE 30.A N ARG 15.A O no hydrogen 2.967 N/A GLY 31.A N THR 37.A O no hydrogen 2.770 N/A ARG 39.A N ALA 29.A O no hydrogen 2.928 N/A ARG 39.A NH1 ASP 33.A OD1 no hydrogen 2.482 N/A ARG 39.A NH1 ASP 33.A OD2 no hydrogen 3.508 N/A VAL 41.A N ALA 27.A O no hydrogen 2.824 N/A ALA 42.A N THR 92.A O no hydrogen 3.018 N/A VAL 43.A N ILE 25.A O no hydrogen 2.706 N/A LYS 44.A N VAL 90.A O no hydrogen 2.832 N/A LYS 44.A NZ ASP 172.A O no hydrogen 3.130 N/A MET 45.A N GLN 23.A O no hydrogen 2.963 N/A LEU 46.A N LEU 88.A O no hydrogen 3.368 N/A THR 51.A N GLU 54.A OE1 no hydrogen 2.853 N/A THR 51.A OG1 GLU 54.A OE1 no hydrogen 2.788 N/A HIS 55.A N THR 51.A O no hydrogen 3.117 N/A ARG 56.A N HIS 52.A O no hydrogen 3.157 N/A ALA 57.A N SER 53.A O no hydrogen 2.886 N/A LEU 58.A N GLU 54.A O no hydrogen 3.327 N/A MET 59.A N HIS 55.A O no hydrogen 2.842 N/A SER 60.A N ARG 56.A O no hydrogen 2.858 N/A SER 60.A OG ARG 56.A O no hydrogen 3.217 N/A GLU 61.A N ALA 57.A O no hydrogen 3.124 N/A LEU 62.A N LEU 58.A O no hydrogen 3.048 N/A LYS 63.A N MET 59.A O no hydrogen 2.982 N/A ILE 64.A N SER 60.A O no hydrogen 2.715 N/A LEU 65.A N GLU 61.A O no hydrogen 3.255 N/A ILE 66.A N LEU 62.A O no hydrogen 3.038 N/A HIS 67.A N LYS 63.A O no hydrogen 2.875 N/A ILE 68.A N ILE 64.A O no hydrogen 2.964 N/A ASN 73.A N HIS 71.A ND1 no hydrogen 2.932 N/A ASN 73.A ND2 GLN 137.A OE1 no hydrogen 3.217 N/A ASN 73.A ND2 VAL 168.A O no hydrogen 3.051 N/A VAL 74.A N HIS 71.A O no hydrogen 3.282 N/A VAL 75.A N ILE 170.A O no hydrogen 2.896 N/A ASN 76.A N GLU 93.A OE2 no hydrogen 2.987 N/A ASN 76.A ND2 HIS 71.A O no hydrogen 3.041 N/A ASN 76.A ND2 VAL 74.A O no hydrogen 2.745 N/A LEU 78.A N ILE 91.A O no hydrogen 2.755 N/A GLY 79.A N ILE 91.A O no hydrogen 3.243 N/A ALA 80.A N TRP 9.A O no hydrogen 3.030 N/A CYS 81.A N MET 89.A O no hydrogen 2.850 N/A CYS 81.A SG PHE 11.A O no hydrogen 3.237 N/A THR 82.A N GLU 10.A OE2 no hydrogen 2.914 N/A THR 82.A OG1 GLU 10.A OE1 no hydrogen 2.707 N/A LYS 83.A N GLU 10.A OE2 no hydrogen 2.961 N/A MET 89.A N CYS 81.A O no hydrogen 2.887 N/A VAL 90.A N LYS 44.A O no hydrogen 2.903 N/A ILE 91.A N GLY 79.A O no hydrogen 2.843 N/A THR 92.A N ALA 42.A O no hydrogen 2.956 N/A THR 92.A OG1 GLU 93.A O no hydrogen 2.999 N/A GLU 93.A N ASN 76.A O no hydrogen 3.145 N/A CYS 95.A SG SER 163.A OG no hydrogen 3.062 N/A PHE 97.A N LEU 162.A O no hydrogen 2.989 N/A GLY 98.A N CYS 95.A O no hydrogen 3.161 N/A ASN 99.A ND2 THR 102.A OG1 no hydrogen 3.004 N/A LEU 100.A N ILE 160.A O no hydrogen 2.698 N/A THR 102.A N ASN 99.A OD1 no hydrogen 3.006 N/A TYR 103.A N ASN 99.A O no hydrogen 3.251 N/A LEU 104.A N LEU 100.A O no hydrogen 2.879 N/A ARG 105.A N SER 101.A O no hydrogen 3.069 N/A ARG 105.A NE GLY 209.A O no hydrogen 2.627 N/A ARG 105.A NH2 SER 101.A OG no hydrogen 2.792 N/A SER 106.A N THR 102.A O no hydrogen 3.061 N/A SER 106.A N TYR 103.A O no hydrogen 3.205 N/A SER 106.A OG TYR 103.A O no hydrogen 2.694 N/A LYS 107.A N LEU 104.A O no hydrogen 3.170 N/A LYS 107.A NZ GLU 110.A OE2 no hydrogen 2.927 N/A LYS 107.A NZ ASP 124.A O no hydrogen 2.589 N/A ARG 108.A NE LEU 208.A O no hydrogen 2.673 N/A ARG 108.A NH1 LEU 208.A O no hydrogen 2.764 N/A GLU 110.A N LYS 107.A O no hydrogen 2.729 N/A VAL 112.A N LEU 126.A O no hydrogen 2.989 N/A LYS 115.A NZ TYR 122.A O no hydrogen 3.069 N/A LEU 121.A N PRO 118.A O no hydrogen 3.294 N/A TYR 122.A N GLU 119.A O no hydrogen 2.863 N/A PHE 125.A N TYR 122.A O no hydrogen 3.120 N/A LEU 126.A N GLU 110.A O no hydrogen 2.870 N/A THR 127.A N HIS 130.A ND1 no hydrogen 3.093 N/A THR 127.A OG1 HIS 130.A ND1 no hydrogen 2.756 N/A LEU 128.A N PRO 113.A O no hydrogen 2.990 N/A GLU 129.A N THR 127.A OG1 no hydrogen 3.134 N/A HIS 130.A ND1 THR 127.A OG1 no hydrogen 2.756 N/A LEU 131.A N THR 127.A O no hydrogen 3.263 N/A ILE 132.A N LEU 128.A O no hydrogen 2.963 N/A CYS 133.A N GLU 129.A O no hydrogen 2.728 N/A TYR 134.A N HIS 130.A O no hydrogen 2.862 N/A SER 135.A N LEU 131.A O no hydrogen 3.297 N/A SER 135.A OG LEU 131.A O no hydrogen 3.034 N/A PHE 136.A N ILE 132.A O no hydrogen 2.927 N/A GLN 137.A N CYS 133.A O no hydrogen 2.896 N/A GLN 137.A NE2 CYS 133.A O no hydrogen 3.431 N/A GLN 137.A NE2 ASN 166.A O no hydrogen 2.798 N/A VAL 138.A N TYR 134.A O no hydrogen 3.089 N/A ALA 139.A N SER 135.A O no hydrogen 3.012 N/A LYS 140.A N PHE 136.A O no hydrogen 2.940 N/A GLY 141.A N GLN 137.A O no hydrogen 3.120 N/A MET 142.A N VAL 138.A O no hydrogen 2.818 N/A GLU 143.A N ALA 139.A O no hydrogen 2.774 N/A PHE 144.A N LYS 140.A O no hydrogen 3.028 N/A LEU 145.A N GLY 141.A O no hydrogen 3.022 N/A ALA 146.A N MET 142.A O no hydrogen 2.705 N/A SER 147.A N GLU 143.A O no hydrogen 2.902 N/A SER 147.A OG GLU 143.A O no hydrogen 2.926 N/A ARG 148.A N LEU 145.A O no hydrogen 3.035 N/A ARG 148.A NE ILE 68.A O no hydrogen 3.168 N/A ARG 148.A NH2 PHE 144.A O no hydrogen 2.827 N/A LYS 149.A N ALA 146.A O no hydrogen 3.194 N/A CYS 150.A N LEU 145.A O no hydrogen 3.049 N/A HIS 152.A N ASP 194.A OD2 no hydrogen 2.780 N/A HIS 152.A NE2 CYS 171.A O no hydrogen 2.682 N/A ARG 153.A N ASP 194.A OD1 no hydrogen 2.886 N/A ASP 154.A N HIS 152.A ND1 no hydrogen 3.173 N/A ALA 157.A N GLU 204.A OE1 no hydrogen 2.914 N/A ARG 158.A NH2 ASP 154.A OD1 no hydrogen 3.115 N/A ARG 158.A NH2 ASP 154.A OD2 no hydrogen 3.046 N/A ASN 159.A N ALA 156.A O no hydrogen 2.974 N/A ASN 159.A ND2 ASP 154.A O no hydrogen 2.987 N/A ASN 159.A ND2 ASP 154.A OD2 no hydrogen 3.563 N/A ILE 160.A N ALA 157.A O no hydrogen 2.907 N/A LEU 161.A N LYS 169.A O no hydrogen 2.837 N/A LEU 162.A N GLY 98.A O no hydrogen 2.791 N/A SER 163.A N VAL 167.A O no hydrogen 2.875 N/A GLU 164.A N GLU 164.A OE2 no hydrogen 2.626 N/A VAL 167.A N GLU 164.A O no hydrogen 3.234 N/A VAL 168.A N GLN 137.A OE1 no hydrogen 3.119 N/A LYS 169.A N LEU 161.A O no hydrogen 2.767 N/A LYS 169.A NZ LEU 72.A O no hydrogen 3.200 N/A LYS 169.A NZ GLU 93.A OE1 no hydrogen 3.069 N/A LYS 169.A NZ GLU 93.A OE2 no hydrogen 2.663 N/A ILE 170.A N ASN 73.A O no hydrogen 2.744 N/A CYS 171.A N ASN 159.A O no hydrogen 3.061 N/A CYS 171.A SG ASN 159.A O no hydrogen 3.473 N/A PHE 173.A N ASN 159.A OD1 no hydrogen 3.167 N/A LYS 177.A N LEU 174.A O no hydrogen 3.128 N/A LYS 177.A NZ SER 211.A OG no hydrogen 2.721 N/A LYS 177.A NZ PRO 212.A O no hydrogen 3.029 N/A TRP 178.A N PRO 175.A O no hydrogen 3.068 N/A TRP 178.A NE1 GLU 204.A OE1 no hydrogen 3.015 N/A MET 179.A N LEU 176.A O no hydrogen 2.976 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.810 N/A THR 183.A OG1 VAL 188.A O no hydrogen 2.841 N/A ILE 184.A N ALA 180.A O no hydrogen 2.965 N/A PHE 185.A N PRO 181.A O no hydrogen 2.852 N/A ASP 186.A N GLU 182.A O no hydrogen 2.809 N/A VAL 188.A N GLU 182.A O no hydrogen 3.463 N/A THR 190.A N SER 193.A OG no hydrogen 2.721 N/A THR 190.A OG1 GLN 192.A OE1 no hydrogen 3.383 N/A SER 193.A N THR 190.A O no hydrogen 3.206 N/A SER 193.A N THR 190.A OG1 no hydrogen 3.282 N/A SER 193.A OG THR 190.A O no hydrogen 2.652 N/A ASP 194.A N THR 190.A O no hydrogen 3.173 N/A VAL 195.A N ILE 191.A O no hydrogen 3.146 N/A TRP 196.A N GLN 192.A O no hydrogen 3.233 N/A SER 197.A N SER 193.A O no hydrogen 3.222 N/A SER 197.A OG TRP 178.A O no hydrogen 2.745 N/A SER 197.A OG SER 193.A O no hydrogen 3.314 N/A PHE 198.A N ASP 194.A O no hydrogen 2.984 N/A GLY 199.A N VAL 195.A O no hydrogen 3.163 N/A VAL 200.A N TRP 196.A O no hydrogen 3.229 N/A LEU 201.A N SER 197.A O no hydrogen 2.746 N/A LEU 202.A N PHE 198.A O no hydrogen 2.699 N/A TRP 203.A N GLY 199.A O no hydrogen 3.094 N/A TRP 203.A NE1 ARG 233.A O no hydrogen 2.984 N/A GLU 204.A N VAL 200.A O no hydrogen 3.076 N/A ILE 205.A N LEU 201.A O no hydrogen 2.932 N/A PHE 206.A N LEU 202.A O no hydrogen 2.963 N/A SER 207.A N GLU 204.A O no hydrogen 3.329 N/A SER 207.A OG TRP 203.A O no hydrogen 2.701 N/A SER 207.A OG GLU 204.A O no hydrogen 2.974 N/A LEU 208.A N ILE 205.A O no hydrogen 3.238 N/A GLY 209.A N GLU 204.A O no hydrogen 2.922 N/A ALA 210.A N SER 207.A OG no hydrogen 3.398 N/A GLU 221.A N ASP 219.A OD2 no hydrogen 2.999 N/A PHE 222.A N ASP 219.A OD2 no hydrogen 3.056 N/A CYS 223.A N ASP 219.A O no hydrogen 3.474 N/A CYS 223.A SG ASP 219.A O no hydrogen 3.776 N/A ARG 224.A N GLU 220.A O no hydrogen 3.255 N/A ARG 224.A NE GLU 228.A OE2 no hydrogen 3.273 N/A ARG 224.A NH1 GLU 221.A OE2 no hydrogen 2.782 N/A ARG 225.A N GLU 221.A O no hydrogen 3.308 N/A LEU 226.A N PHE 222.A O no hydrogen 3.143 N/A LYS 227.A N CYS 223.A O no hydrogen 3.073 N/A GLU 228.A N ARG 224.A O no hydrogen 2.982 N/A GLY 229.A N LEU 226.A O no hydrogen 3.348 N/A THR 230.A N ARG 225.A O no hydrogen 2.907 N/A ARG 231.A NE TRP 250.A O no hydrogen 2.936 N/A ARG 231.A NH1 TRP 250.A O no hydrogen 2.926 N/A ARG 231.A NH2 LEU 226.A O no hydrogen 3.043 N/A ARG 231.A NH2 THR 230.A O no hydrogen 2.799 N/A TYR 237.A N PHE 206.A O no hydrogen 3.007 N/A THR 238.A N PRO 235.A O no hydrogen 3.229 N/A THR 238.A OG1 THR 239.A O no hydrogen 3.076 N/A MET 242.A N THR 239.A OG1 no hydrogen 3.396 N/A TYR 243.A N THR 239.A O no hydrogen 3.036 N/A TYR 243.A OH MET 232.A O no hydrogen 2.663 N/A GLN 244.A N PRO 240.A O no hydrogen 3.108 N/A GLN 244.A NE2 ASP 248.A OD1 no hydrogen 3.228 N/A THR 245.A N GLU 241.A O no hydrogen 2.911 N/A THR 245.A OG1 GLU 241.A O no hydrogen 3.258 N/A MET 246.A N MET 242.A O no hydrogen 2.984 N/A LEU 247.A N TYR 243.A O no hydrogen 2.900 N/A ASP 248.A N GLN 244.A O no hydrogen 2.721 N/A CYS 249.A N THR 245.A O no hydrogen 3.001 N/A CYS 249.A SG THR 245.A O no hydrogen 3.277 N/A TRP 250.A N MET 246.A O no hydrogen 3.119 N/A TRP 250.A N LEU 247.A O no hydrogen 3.200 N/A HIS 251.A N ASP 248.A O no hydrogen 3.310 N/A GLU 253.A N HIS 251.A ND1 no hydrogen 3.161 N/A SER 255.A OG GLU 253.A OE1 no hydrogen 3.078 N/A GLN 256.A N GLU 253.A O no hydrogen 2.873 N/A ARG 257.A N PRO 254.A O no hydrogen 3.343 N/A ARG 257.A NE HIS 251.A O no hydrogen 2.751 N/A ARG 257.A NH1 GLU 182.A OE1 no hydrogen 3.565 N/A ARG 257.A NH1 GLU 182.A OE2 no hydrogen 2.808 N/A ARG 257.A NH1 GLN 192.A O no hydrogen 3.146 N/A ARG 257.A NH2 GLU 182.A OE1 no hydrogen 2.976 N/A ARG 257.A NH2 HIS 251.A O no hydrogen 3.037 N/A THR 259.A N GLU 262.A OE1 no hydrogen 2.828 N/A SER 261.A OG GLU 143.A OE2 no hydrogen 2.658 N/A GLU 262.A N THR 259.A OG1 no hydrogen 3.221 N/A LEU 263.A N THR 259.A O no hydrogen 3.014 N/A VAL 264.A N PHE 260.A O no hydrogen 2.871 N/A GLU 265.A N SER 261.A O no hydrogen 3.117 N/A HIS 266.A N GLU 262.A O no hydrogen 2.845 N/A LEU 267.A N LEU 263.A O no hydrogen 2.924 N/A GLY 268.A N VAL 264.A O no hydrogen 3.010 N/A ASN 269.A N GLU 265.A O no hydrogen 3.199 N/A LEU 270.A N HIS 266.A O no hydrogen 2.953 N/A LEU 271.A N LEU 267.A O no hydrogen 2.764 N/A GLN 272.A N GLY 268.A O no hydrogen 3.027 N/A ALA 273.A N ASN 269.A O no hydrogen 3.006 N/A ASN 274.A N LEU 270.A O no hydrogen 3.096 N/A ALA 275.A N LEU 271.A O no hydrogen 3.062 N/A GLN 276.A N GLN 272.A O no hydrogen 2.862 N/A GLN 277.A N ALA 273.A O no hydrogen 2.946 N/A ASP 278.A N ASN 274.A O no hydrogen 2.960 N/A ARG 279.A N ALA 275.A O no hydrogen 2.937 N/A HIS 280.A N GLN 276.A O no hydrogen 3.113 N/A HIS 281.A N GLN 277.A O no hydrogen 2.899 N/A HIS 282.A N ASP 278.A O no hydrogen 2.736 N/A HIS 283.A N ARG 279.A O no hydrogen 2.880 N/A HIS 284.A N HIS 280.A O no hydrogen 2.986 N/A HIS 285.A ND1 HIS 281.A O no hydrogen 2.975 N/A