Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mca_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A OG ASN 79.A O no hydrogen 2.695 N/A MET 10.A N PHE 75.A O no hydrogen 3.408 N/A ASP 14.A N GLU 11.A O no hydrogen 3.138 N/A MET 15.A N PRO 12.A O no hydrogen 3.337 N/A TRP 16.A N GLU 13.A O no hydrogen 2.899 N/A HIS 17.A N GLU 13.A O no hydrogen 2.973 N/A LEU 18.A N ASP 14.A O no hydrogen 3.163 N/A TYR 19.A N MET 15.A O no hydrogen 2.955 N/A ASN 20.A N TRP 16.A O no hydrogen 2.995 N/A ILE 21.A N HIS 17.A O no hydrogen 2.823 N/A LEU 22.A N LEU 18.A O no hydrogen 2.673 N/A GLY 25.A N VAL 38.A O no hydrogen 3.123 N/A ASP 26.A N GLN 23.A O no hydrogen 2.967 N/A LEU 28.A N ILE 36.A O no hydrogen 3.279 N/A LYS 29.A N THR 76.A O no hydrogen 3.360 N/A ARG 35.A NE GLN 27.A OE1 no hydrogen 3.090 N/A ARG 35.A NH2 GLN 27.A OE1 no hydrogen 2.691 N/A ILE 36.A N LEU 28.A O no hydrogen 2.999 N/A LEU 37.A N ARG 54.A O no hydrogen 3.008 N/A VAL 38.A N ASP 26.A O no hydrogen 2.711 N/A ASP 42.A N HIS 51.A O no hydrogen 2.841 N/A LYS 46.A NZ ARG 122.A O no hydrogen 2.783 N/A HIS 51.A N ASP 42.A O no hydrogen 2.873 N/A LYS 53.A N ASN 40.A O no hydrogen 2.816 N/A THR 55.A N SER 63.A O no hydrogen 3.422 N/A THR 55.A OG1 SER 63.A O no hydrogen 3.451 N/A THR 56.A N ARG 35.A O no hydrogen 2.881 N/A GLY 62.A N THR 55.A O no hydrogen 3.464 N/A THR 66.A OG1 ILE 52.A O no hydrogen 3.501 N/A LEU 67.A N ILE 52.A O no hydrogen 2.750 N/A LEU 69.A N LEU 50.A O no hydrogen 2.689 N/A PHE 75.A N MET 10.A O no hydrogen 3.252 N/A THR 76.A N LYS 29.A O no hydrogen 3.198 N/A THR 76.A OG1 LYS 29.A O no hydrogen 3.380 N/A LEU 77.A N ILE 8.A O no hydrogen 3.026 N/A ASP 87.A N ALA 83.A O no hydrogen 3.161 N/A ASP 87.A N PHE 84.A O no hydrogen 2.958 N/A ARG 88.A NE PHE 84.A O no hydrogen 3.064 N/A ALA 91.A N ARG 88.A O no hydrogen 3.097 N/A ILE 99.A N ILE 114.A O no hydrogen 2.904 N/A GLY 100.A N VAL 166.A O no hydrogen 2.844 N/A ALA 101.A N CYS 112.A O no hydrogen 2.770 N/A VAL 102.A N ILE 168.A O no hydrogen 2.790 N/A VAL 103.A N ASN 110.A O no hydrogen 3.065 N/A LEU 104.A N ALA 170.A O no hydrogen 2.818 N/A ASP 105.A N LEU 108.A O no hydrogen 2.843 N/A GLU 106.A N ASP 105.A OD2 no hydrogen 2.628 N/A LEU 108.A N ASP 105.A O no hydrogen 3.104 N/A ALA 109.A N ILE 125.A O no hydrogen 2.748 N/A ASN 110.A N VAL 103.A O no hydrogen 2.771 N/A ASN 110.A ND2 GLY 210.A O no hydrogen 2.731 N/A ILE 111.A N GLN 123.A O no hydrogen 2.690 N/A CYS 112.A N ALA 101.A O no hydrogen 2.770 N/A CYS 112.A SG ASN 110.A O no hydrogen 3.945 N/A LEU 113.A N ILE 120.A O no hydrogen 3.025 N/A ILE 114.A N ILE 99.A O no hydrogen 2.694 N/A THR 115.A N MET 118.A O no hydrogen 2.647 N/A THR 115.A OG1 GLU 13.A OE2 no hydrogen 3.198 N/A THR 115.A OG1 MET 118.A O no hydrogen 3.489 N/A TYR 117.A N GLU 13.A OE2 no hydrogen 2.721 N/A MET 118.A N THR 115.A O no hydrogen 3.198 N/A THR 119.A OG1 HIS 312.A ND1 no hydrogen 2.907 N/A ILE 120.A N LEU 113.A O no hydrogen 2.989 N/A ARG 122.A N ILE 111.A O no hydrogen 2.760 N/A ARG 122.A NH1 GLU 158.A OE1 no hydrogen 2.586 N/A GLN 123.A N ILE 111.A O no hydrogen 3.385 N/A ILE 125.A N ALA 109.A O no hydrogen 2.779 N/A GLN 127.A N GLY 107.A O no hydrogen 2.843 N/A GLN 127.A NE2 SER 150.A OG no hydrogen 3.132 N/A ARG 133.A N ASP 136.A O no hydrogen 2.649 N/A ASP 136.A N ARG 133.A O no hydrogen 2.606 N/A SER 138.A N ASP 136.A OD2 no hydrogen 2.840 N/A SER 138.A OG ASP 136.A OD1 no hydrogen 2.826 N/A SER 138.A OG ASP 136.A OD2 no hydrogen 2.693 N/A TYR 140.A OH GLU 106.A OE2 no hydrogen 2.642 N/A GLN 141.A N SER 137.A O no hydrogen 3.004 N/A GLN 141.A NE2 ASP 145.A OD1 no hydrogen 3.382 N/A LYS 142.A N SER 138.A O no hydrogen 2.707 N/A GLY 143.A N ALA 139.A O no hydrogen 2.987 N/A LEU 144.A N TYR 140.A O no hydrogen 2.785 N/A ASP 145.A N GLN 141.A O no hydrogen 2.956 N/A LYS 146.A N LYS 142.A O no hydrogen 3.206 N/A PHE 147.A N GLY 143.A O no hydrogen 3.294 N/A TYR 148.A N LEU 144.A O no hydrogen 2.964 N/A ASP 149.A N ASP 145.A O no hydrogen 2.969 N/A SER 150.A N LYS 146.A O no hydrogen 2.800 N/A SER 150.A OG LYS 146.A O no hydrogen 2.806 N/A VAL 151.A N PHE 147.A O no hydrogen 3.006 N/A PHE 152.A N TYR 148.A O no hydrogen 3.274 N/A GLN 153.A N ASP 149.A O no hydrogen 3.095 N/A SER 154.A N SER 150.A O no hydrogen 3.033 N/A ILE 155.A N VAL 151.A O no hydrogen 2.816 N/A ASN 156.A N PHE 152.A O no hydrogen 2.902 N/A SER 157.A N GLN 153.A O no hydrogen 3.150 N/A SER 157.A N SER 154.A O no hydrogen 2.861 N/A SER 157.A OG GLN 153.A O no hydrogen 2.901 N/A SER 157.A OG SER 154.A O no hydrogen 2.985 N/A GLU 158.A N SER 154.A O no hydrogen 2.712 N/A PHE 159.A N ILE 155.A O no hydrogen 2.811 N/A LYS 163.A N ASP 160.A O no hydrogen 3.066 N/A LYS 163.A N ASP 160.A OD2 no hydrogen 3.069 N/A LEU 164.A N ASP 160.A O no hydrogen 3.452 N/A LYS 165.A N GLU 98.A O no hydrogen 3.035 N/A VAL 167.A N LYS 201.A O no hydrogen 3.180 N/A ILE 168.A N GLY 100.A O no hydrogen 2.871 N/A LEU 169.A N VAL 203.A O no hydrogen 2.793 N/A ALA 170.A N VAL 102.A O no hydrogen 2.958 N/A SER 171.A N LEU 205.A O no hydrogen 3.442 N/A ALA 176.A N SER 171.A OG no hydrogen 2.999 N/A ARG 177.A NH2 GLY 173.A O no hydrogen 3.115 N/A GLY 178.A N PHE 174.A O no hydrogen 2.923 N/A LEU 179.A N VAL 175.A O no hydrogen 2.844 N/A TYR 180.A N ALA 176.A O no hydrogen 3.111 N/A ASP 181.A N ARG 177.A O no hydrogen 3.384 N/A TYR 182.A N GLY 178.A O no hydrogen 2.974 N/A TYR 182.A OH ASP 149.A OD2 no hydrogen 3.027 N/A ILE 183.A N LEU 179.A O no hydrogen 2.653 N/A PHE 184.A N TYR 180.A O no hydrogen 3.432 N/A SER 185.A N ASP 181.A O no hydrogen 3.054 N/A SER 185.A OG ASP 181.A O no hydrogen 2.849 N/A SER 185.A OG ASP 181.A OD1 no hydrogen 3.378 N/A MET 186.A N TYR 182.A O no hydrogen 3.055 N/A ALA 187.A N ILE 183.A O no hydrogen 2.977 N/A VAL 188.A N PHE 184.A O no hydrogen 3.150 N/A VAL 188.A N SER 185.A O no hydrogen 2.860 N/A LYS 189.A N SER 185.A O no hydrogen 2.840 N/A LEU 190.A N MET 186.A O no hydrogen 3.075 N/A LEU 192.A N ALA 187.A O no hydrogen 3.105 N/A LYS 193.A NZ ASP 191.A OD1 no hydrogen 3.095 N/A LYS 193.A NZ ASP 191.A OD2 no hydrogen 3.525 N/A VAL 196.A N LEU 192.A O no hydrogen 3.373 N/A LYS 197.A N LYS 193.A O no hydrogen 3.132 N/A SER 198.A N ILE 195.A O no hydrogen 2.565 N/A SER 198.A OG GLN 194.A O no hydrogen 2.768 N/A LYS 201.A N SER 198.A O no hydrogen 2.606 N/A LYS 201.A NZ PHE 161.A O no hydrogen 2.630 N/A LYS 201.A NZ LEU 164.A O no hydrogen 3.047 N/A PHE 202.A N LYS 199.A O no hydrogen 3.274 N/A VAL 203.A N VAL 167.A O no hydrogen 3.075 N/A LEU 205.A N LEU 169.A O no hydrogen 2.639 N/A SER 207.A N SER 171.A O no hydrogen 3.224 N/A SER 208.A N GLU 217.A OE2 no hydrogen 3.114 N/A SER 208.A OG GLU 217.A OE1 no hydrogen 2.635 N/A SER 208.A OG GLU 217.A OE2 no hydrogen 2.774 N/A THR 209.A N SER 207.A OG no hydrogen 3.240 N/A THR 209.A OG1 SER 214.A OG no hydrogen 2.837 N/A HIS 211.A N THR 209.A OG1 no hydrogen 3.080 N/A SER 214.A N HIS 211.A O no hydrogen 3.027 N/A SER 214.A OG THR 209.A O no hydrogen 3.158 N/A SER 214.A OG THR 209.A OG1 no hydrogen 2.837 N/A LEU 215.A N ILE 212.A O no hydrogen 2.831 N/A ASN 216.A N HIS 213.A O no hydrogen 2.924 N/A GLU 217.A N SER 214.A O no hydrogen 2.987 N/A ALA 223.A N ASP 221.A OD2 no hydrogen 2.532 N/A VAL 224.A N ASP 221.A O no hydrogen 2.908 N/A GLU 225.A N PRO 222.A O no hydrogen 3.025 N/A LEU 228.A N GLU 225.A O no hydrogen 3.236 N/A ALA 229.A N GLU 225.A O no hydrogen 2.967 N/A THR 231.A N LEU 228.A O no hydrogen 2.808 N/A THR 231.A OG1 LEU 228.A O no hydrogen 2.641 N/A LYS 232.A N ASP 116.A OD1 no hydrogen 3.400 N/A LYS 232.A NZ TYR 117.A OH no hydrogen 3.190 N/A GLN 235.A N THR 231.A O no hydrogen 3.050 N/A GLU 236.A N LYS 232.A O no hydrogen 2.873 N/A ILE 237.A N TYR 233.A O no hydrogen 3.250 N/A ARG 238.A N VAL 234.A O no hydrogen 2.819 N/A ARG 238.A NH2 ALA 229.A O no hydrogen 2.635 N/A VAL 239.A N GLN 235.A O no hydrogen 3.154 N/A LEU 240.A N GLU 236.A O no hydrogen 3.061 N/A ASN 241.A N ILE 237.A O no hydrogen 2.982 N/A LYS 242.A N ARG 238.A O no hydrogen 2.579 N/A PHE 243.A N VAL 239.A O no hydrogen 2.649 N/A TYR 244.A N LEU 240.A O no hydrogen 2.897 N/A ASP 245.A N ASN 241.A O no hydrogen 2.796 N/A VAL 246.A N LYS 242.A O no hydrogen 3.242 N/A MET 247.A N PHE 243.A O no hydrogen 3.076 N/A ASN 248.A N TYR 244.A O no hydrogen 2.835 N/A GLU 249.A N ASP 245.A O no hydrogen 2.976 N/A ASP 250.A N VAL 246.A O no hydrogen 2.778 N/A ARG 252.A N ASP 250.A OD1 no hydrogen 3.302 N/A LYS 253.A N ASP 250.A O no hydrogen 2.787 N/A TRP 255.A N ALA 326.A O no hydrogen 2.849 N/A GLY 257.A N ILE 324.A O no hydrogen 2.905 N/A ASN 259.A ND2 ILE 337.A O no hydrogen 3.013 N/A VAL 261.A N GLY 257.A O no hydrogen 2.923 N/A LEU 262.A N PRO 258.A O no hydrogen 3.040 N/A LYS 263.A N ASN 259.A O no hydrogen 3.273 N/A ALA 264.A N HIS 260.A O no hydrogen 2.949 N/A PHE 265.A N VAL 261.A O no hydrogen 2.791 N/A GLU 266.A N LEU 262.A O no hydrogen 2.906 N/A GLU 266.A N LYS 263.A O no hydrogen 3.022 N/A LEU 267.A N LYS 263.A O no hydrogen 3.253 N/A LEU 274.A N PRO 304.A O no hydrogen 3.169 N/A ILE 275.A N ALA 325.A O no hydrogen 2.975 N/A SER 276.A N TYR 306.A O no hydrogen 2.751 N/A SER 278.A N PHE 308.A O no hydrogen 2.917 N/A LEU 279.A N ASP 277.A OD2 no hydrogen 2.631 N/A PHE 280.A N ASP 277.A O no hydrogen 3.033 N/A ARG 281.A NH2 SER 310.A OG no hydrogen 2.881 N/A SER 282.A OG ASP 284.A O no hydrogen 3.141 N/A THR 287.A N ASP 284.A OD2 no hydrogen 2.843 N/A ARG 288.A N ASP 284.A O no hydrogen 3.194 N/A ARG 288.A N ILE 285.A O no hydrogen 3.057 N/A LYS 289.A N ILE 285.A O no hydrogen 3.121 N/A TRP 291.A N ARG 288.A O no hydrogen 3.138 N/A VAL 292.A N ARG 288.A O no hydrogen 3.331 N/A SER 293.A N LYS 289.A O no hydrogen 2.959 N/A SER 293.A OG LYS 289.A O no hydrogen 3.044 N/A LEU 294.A N LYS 290.A O no hydrogen 2.964 N/A VAL 295.A N TRP 291.A O no hydrogen 2.827 N/A GLU 296.A N VAL 292.A O no hydrogen 2.819 N/A GLY 297.A N SER 293.A O no hydrogen 2.624 N/A VAL 298.A N LEU 294.A O no hydrogen 2.963 N/A LYS 299.A N VAL 295.A O no hydrogen 3.009 N/A LYS 299.A N GLU 296.A O no hydrogen 3.072 N/A GLU 300.A N GLU 296.A O no hydrogen 2.748 N/A CYS 303.A SG ILE 270.A O no hydrogen 3.949 N/A TYR 306.A N LEU 274.A O no hydrogen 2.706 N/A PHE 308.A N SER 276.A O no hydrogen 2.726 N/A SER 309.A N GLU 236.A OE2 no hydrogen 3.026 N/A SER 309.A OG TYR 117.A O no hydrogen 2.619 N/A SER 310.A N SER 278.A OG no hydrogen 3.338 N/A SER 310.A OG SER 278.A OG no hydrogen 3.154 N/A HIS 312.A N SER 309.A O no hydrogen 3.322 N/A HIS 312.A ND1 THR 119.A OG1 no hydrogen 2.907 N/A HIS 312.A NE2 ASP 116.A O no hydrogen 2.889 N/A SER 314.A OG GLU 236.A OE1 no hydrogen 2.564 N/A LYS 316.A N HIS 312.A O no hydrogen 2.987 N/A LYS 316.A NZ GLU 313.A OE1 no hydrogen 2.601 N/A LYS 316.A NZ GLU 313.A OE2 no hydrogen 3.239 N/A GLN 317.A N GLU 313.A O no hydrogen 2.826 N/A LEU 318.A N SER 314.A O no hydrogen 2.884 N/A ASP 319.A N GLY 315.A O no hydrogen 2.857 N/A LEU 320.A N LYS 316.A O no hydrogen 3.007 N/A LEU 321.A N GLN 317.A O no hydrogen 3.203 N/A ILE 324.A N SER 322.A O no hydrogen 2.359 N/A ALA 325.A N ILE 275.A O no hydrogen 2.731 N/A ALA 326.A N TRP 255.A O no hydrogen 2.959 N/A THR 329.A N ALA 269.A O no hydrogen 2.962 N/A THR 329.A OG1 ALA 269.A O no hydrogen 3.506 N/A VAL 332.A N ARG 252.A O no hydrogen 2.942 N/A GLU 335.A N GLU 334.A OE1 no hydrogen 2.863 N/A ASP 340.A N SER 338.A O no hydrogen 2.963 N/A