Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mca_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLN 227.A O no hydrogen 3.384 N/A LYS 2.A NZ GLU 228.A OE2 no hydrogen 2.756 N/A SER 10.A OG GLN 216.A OE1 no hydrogen 3.146 N/A SER 18.A N PHE 15.A O no hydrogen 3.189 N/A LYS 21.A NZ GLY 56.A O no hydrogen 2.899 N/A VAL 24.A N ASP 59.A O no hydrogen 2.749 N/A LEU 26.A N ILE 61.A O no hydrogen 3.206 N/A THR 29.A N ASP 72.A O no hydrogen 3.016 N/A THR 29.A OG1 ASP 72.A O no hydrogen 3.423 N/A ASP 33.A N HIS 31.A ND1 no hydrogen 3.179 N/A SER 34.A OG HIS 31.A O no hydrogen 2.472 N/A LYS 36.A NZ GLY 30.A O no hydrogen 3.110 N/A MET 39.A N GLY 35.A O no hydrogen 2.708 N/A LEU 40.A N LYS 36.A O no hydrogen 3.211 N/A GLY 41.A N SER 37.A O no hydrogen 3.216 N/A ARG 42.A N THR 38.A O no hydrogen 2.739 N/A ARG 42.A NE GLU 46.A OE2 no hydrogen 2.774 N/A ARG 42.A NH2 GLU 46.A OE2 no hydrogen 2.902 N/A ILE 43.A N MET 39.A O no hydrogen 2.993 N/A MET 44.A N LEU 40.A O no hydrogen 2.858 N/A PHE 45.A N GLY 41.A O no hydrogen 2.843 N/A GLU 46.A N ARG 42.A O no hydrogen 2.950 N/A LEU 47.A N ILE 43.A O no hydrogen 2.990 N/A GLU 49.A N PHE 45.A O no hydrogen 3.241 N/A ALA 54.A N PHE 60.A O no hydrogen 3.063 N/A GLY 56.A N ARG 58.A O no hydrogen 2.671 N/A ASP 59.A N PRO 22.A O no hydrogen 3.179 N/A PHE 60.A N ALA 54.A O no hydrogen 2.626 N/A ILE 61.A N VAL 24.A O no hydrogen 3.063 N/A SER 62.A N GLY 52.A O no hydrogen 3.478 N/A GLY 63.A N LEU 26.A O no hydrogen 2.936 N/A LEU 69.A N HIS 25.A O no hydrogen 2.796 N/A VAL 70.A N HIS 25.A O no hydrogen 3.034 N/A VAL 71.A N GLU 102.A O no hydrogen 3.133 N/A ASP 72.A N VAL 27.A O no hydrogen 3.268 N/A SER 73.A N VAL 104.A O no hydrogen 3.130 N/A SER 74.A N THR 29.A O no hydrogen 3.237 N/A GLN 75.A N SER 106.A O no hydrogen 3.123 N/A ASN 77.A N ASN 76.A OD1 no hydrogen 2.541 N/A ARG 80.A NH1 ASN 76.A O no hydrogen 3.055 N/A ARG 80.A NH2 GLN 75.A OE1 no hydrogen 3.109 N/A ASN 85.A ND2 PHE 82.A O no hydrogen 2.617 N/A ARG 89.A NE GLU 84.A O no hydrogen 3.090 N/A HIS 91.A N GLN 87.A O no hydrogen 3.437 N/A ALA 92.A N THR 88.A O no hydrogen 3.132 N/A TYR 93.A N ARG 89.A O no hydrogen 3.171 N/A LEU 94.A N GLU 90.A O no hydrogen 2.898 N/A LEU 95.A N HIS 91.A O no hydrogen 3.026 N/A ARG 96.A N ALA 92.A O no hydrogen 3.269 N/A ALA 97.A N TYR 93.A O no hydrogen 2.950 N/A LEU 98.A N LEU 94.A O no hydrogen 2.921 N/A ILE 103.A N ASN 141.A O no hydrogen 2.976 N/A VAL 104.A N VAL 71.A O no hydrogen 2.782 N/A VAL 105.A N HIS 143.A O no hydrogen 2.715 N/A SER 106.A N SER 73.A O no hydrogen 2.939 N/A VAL 107.A N VAL 145.A O no hydrogen 2.850 N/A ASN 108.A N GLN 75.A O no hydrogen 2.807 N/A LYS 109.A N ILE 147.A O no hydrogen 3.089 N/A LYS 109.A NZ ASP 33.A O no hydrogen 2.505 N/A LEU 112.A N LYS 109.A O no hydrogen 3.186 N/A MET 113.A N LEU 110.A O no hydrogen 2.888 N/A SER 114.A N ASP 111.A O no hydrogen 3.038 N/A TRP 115.A N LEU 110.A O no hydrogen 2.770 N/A SER 116.A N MET 113.A O no hydrogen 2.958 N/A SER 116.A OG MET 113.A O no hydrogen 3.158 N/A ARG 119.A NH1 GLU 122.A OE2 no hydrogen 3.469 N/A ARG 119.A NH2 PHE 78.A O no hydrogen 2.231 N/A PHE 120.A N SER 116.A O no hydrogen 3.186 N/A GLN 121.A N GLU 117.A O no hydrogen 2.932 N/A GLU 122.A N ASP 118.A O no hydrogen 2.836 N/A ILE 123.A N ARG 119.A O no hydrogen 3.005 N/A LYS 124.A N PHE 120.A O no hydrogen 2.916 N/A ASN 125.A N GLN 121.A O no hydrogen 3.026 N/A ILE 126.A N GLU 122.A O no hydrogen 3.228 N/A VAL 127.A N ILE 123.A O no hydrogen 2.928 N/A SER 128.A N LYS 124.A O no hydrogen 2.750 N/A SER 128.A OG LYS 124.A O no hydrogen 3.086 N/A ASP 129.A N ASN 125.A O no hydrogen 2.787 N/A PHE 130.A N VAL 127.A O no hydrogen 3.172 N/A LEU 131.A N VAL 127.A O no hydrogen 2.873 N/A ILE 132.A N SER 128.A O no hydrogen 2.769 N/A MET 134.A N ASP 129.A O no hydrogen 3.179 N/A VAL 135.A N PHE 130.A O no hydrogen 2.998 N/A PHE 137.A N LEU 131.A O no hydrogen 3.253 N/A ASN 141.A N LYS 138.A O no hydrogen 3.134 N/A VAL 142.A N THR 139.A O no hydrogen 3.386 N/A HIS 143.A N ILE 103.A O no hydrogen 3.108 N/A VAL 145.A N VAL 105.A O no hydrogen 3.024 N/A SER 148.A OG ASP 111.A OD1 no hydrogen 2.745 N/A SER 148.A OG ASP 111.A OD2 no hydrogen 2.613 N/A ALA 149.A N ASN 108.A OD1 no hydrogen 2.925 N/A SER 151.A OG ILE 150.A O no hydrogen 2.491 N/A THR 153.A OG1 THR 153.A O no hydrogen 2.390 N/A TYR 164.A N SER 161.A O no hydrogen 3.100 N/A LYS 165.A N ASP 162.A O no hydrogen 3.374 N/A TRP 166.A N LEU 163.A O no hydrogen 3.265 N/A TRP 166.A NE1 TRP 115.A O no hydrogen 2.859 N/A TYR 167.A N LEU 163.A O no hydrogen 2.976 N/A TYR 167.A OH PRO 170.A O no hydrogen 2.403 N/A LEU 172.A N THR 153.A O no hydrogen 2.985 N/A LEU 173.A N ASN 154.A O no hydrogen 2.980 N/A SER 174.A N THR 171.A OG1 no hydrogen 3.149 N/A ALA 175.A N THR 171.A O no hydrogen 2.833 N/A LEU 176.A N LEU 172.A O no hydrogen 2.946 N/A ASP 177.A N LEU 173.A O no hydrogen 2.951 N/A LEU 179.A N LEU 176.A O no hydrogen 3.150 N/A LYS 184.A NZ GLU 16.A OE1 no hydrogen 3.517 N/A TYR 186.A OH GLU 16.A OE1 no hydrogen 2.705 N/A ARG 187.A N LYS 184.A O no hydrogen 2.854 N/A ARG 187.A NH1 GLU 16.A OE2 no hydrogen 3.206 N/A ARG 187.A NH2 GLU 16.A OE2 no hydrogen 3.476 N/A LYS 188.A N PRO 185.A O no hydrogen 3.325 N/A ARG 191.A N ALA 212.A O no hydrogen 2.806 N/A ARG 191.A NH1 LEU 190.A O no hydrogen 2.862 N/A ARG 191.A NH1 ASN 275.A O no hydrogen 2.795 N/A ARG 191.A NH2 ASN 275.A O no hydrogen 3.201 N/A LEU 192.A N LEU 270.A O no hydrogen 2.917 N/A SER 193.A N ARG 209.A O no hydrogen 2.984 N/A SER 193.A OG GLU 211.A OE2 no hydrogen 2.770 N/A ILE 194.A N ASP 268.A O no hydrogen 3.088 N/A ASP 195.A N THR 207.A O no hydrogen 2.578 N/A ASP 196.A N THR 207.A O no hydrogen 3.266 N/A TYR 198.A N THR 205.A O no hydrogen 3.047 N/A SER 200.A N SER 203.A O no hydrogen 2.726 N/A SER 200.A OG ARG 199.A O no hydrogen 3.083 N/A SER 200.A OG THR 205.A OG1 no hydrogen 3.352 N/A SER 203.A N SER 200.A O no hydrogen 3.396 N/A THR 205.A N TYR 198.A O no hydrogen 2.809 N/A THR 205.A OG1 SER 200.A OG no hydrogen 3.352 N/A VAL 206.A N LEU 254.A O no hydrogen 3.288 N/A THR 207.A N ASP 196.A O no hydrogen 3.110 N/A GLY 208.A N VAL 252.A O no hydrogen 3.014 N/A ARG 209.A N SER 193.A O no hydrogen 3.234 N/A ARG 209.A NH1 GLU 211.A OE1 no hydrogen 2.679 N/A VAL 210.A N ASP 250.A O no hydrogen 2.795 N/A GLU 211.A N ARG 191.A O no hydrogen 2.653 N/A ALA 212.A N ARG 191.A O no hydrogen 3.296 N/A GLY 213.A N PRO 185.A O no hydrogen 2.617 N/A VAL 215.A N ALA 246.A O no hydrogen 3.059 N/A GLN 216.A NE2 VAL 11.A O no hydrogen 2.482 N/A VAL 217.A N THR 244.A O no hydrogen 2.821 N/A ASN 218.A N VAL 232.A O no hydrogen 2.782 N/A ASN 218.A ND2 VAL 232.A O no hydrogen 3.650 N/A GLN 219.A N GLN 216.A O no hydrogen 3.405 N/A GLN 219.A NE2 GLN 216.A O no hydrogen 3.191 N/A VAL 220.A N ASP 7.A OD1 no hydrogen 3.312 N/A LEU 221.A N ALA 230.A O no hydrogen 3.038 N/A TYR 222.A N SER 271.A O no hydrogen 2.581 N/A ASP 223.A N GLU 228.A O no hydrogen 2.942 N/A SER 225.A N ASP 223.A OD2 no hydrogen 2.896 N/A SER 225.A OG ASP 268.A OD1 no hydrogen 3.191 N/A SER 226.A OG GLN 263.A O no hydrogen 2.834 N/A GLN 227.A NE2 VAL 224.A O no hydrogen 2.715 N/A GLU 228.A N ASP 223.A O no hydrogen 3.413 N/A ALA 230.A N LEU 221.A O no hydrogen 3.113 N/A VAL 232.A N GLN 219.A O no hydrogen 2.885 N/A LYS 233.A N GLN 255.A O no hydrogen 2.436 N/A ILE 236.A N THR 253.A O no hydrogen 3.082 N/A ARG 237.A N SER 243.A OG no hydrogen 3.003 N/A ARG 237.A NE ASP 250.A OD2 no hydrogen 2.787 N/A ASN 238.A ND2 THR 251.A OG1 no hydrogen 3.401 N/A SER 239.A OG ASP 240.A OD2 no hydrogen 3.300 N/A SER 243.A OG VAL 235.A O no hydrogen 3.016 N/A ALA 246.A N VAL 215.A O no hydrogen 2.751 N/A VAL 247.A N ASP 250.A OD2 no hydrogen 2.933 N/A ALA 248.A N GLY 213.A O no hydrogen 2.827 N/A GLY 249.A N VAL 210.A O no hydrogen 2.698 N/A ASP 250.A N VAL 247.A O no hydrogen 2.937 N/A VAL 252.A N GLY 208.A O no hydrogen 2.725 N/A THR 253.A N ILE 236.A O no hydrogen 3.026 N/A LEU 254.A N VAL 206.A O no hydrogen 2.745 N/A GLN 255.A N ASN 234.A O no hydrogen 3.193 N/A LEU 256.A N VAL 204.A O no hydrogen 3.101 N/A ALA 257.A N TYR 231.A O no hydrogen 2.663 N/A GLN 263.A N GLU 260.A O no hydrogen 3.054 N/A ARG 265.A N ASP 268.A OD2 no hydrogen 3.204 N/A GLY 267.A N ILE 194.A O no hydrogen 2.950 N/A ASP 268.A N ARG 265.A O no hydrogen 3.131 N/A LEU 270.A N LEU 192.A O no hydrogen 2.830 N/A SER 271.A N TYR 222.A O no hydrogen 2.948 N/A SER 271.A OG ASN 272.A O no hydrogen 3.423 N/A TYR 273.A OH ASP 229.A OD1 no hydrogen 2.460 N/A VAL 277.A N SER 271.A OG no hydrogen 3.257 N/A ARG 278.A NH2 CYS 377.A OXT no hydrogen 3.102 N/A VAL 280.A N PHE 345.A O no hydrogen 2.860 N/A PHE 283.A N ILE 338.A O no hydrogen 3.010 N/A VAL 284.A N GLU 375.A O no hydrogen 3.014 N/A ALA 285.A N VAL 336.A O no hydrogen 2.901 N/A GLU 286.A N ILE 372.A O no hydrogen 3.119 N/A ILE 287.A N ALA 334.A O no hydrogen 2.960 N/A GLN 288.A N ALA 370.A O no hydrogen 2.785 N/A THR 289.A N LYS 332.A O no hydrogen 2.924 N/A THR 289.A OG1 VAL 368.A O no hydrogen 3.271 N/A PHE 290.A N VAL 368.A O no hydrogen 3.073 N/A ILE 292.A N SER 330.A OG no hydrogen 3.138 N/A ILE 296.A N ILE 328.A O no hydrogen 3.191 N/A LEU 297.A N SER 300.A OG no hydrogen 3.101 N/A GLY 299.A N LEU 315.A O no hydrogen 2.643 N/A SER 300.A N LEU 297.A O no hydrogen 2.936 N/A SER 300.A OG LEU 297.A O no hydrogen 3.020 N/A LEU 302.A N VAL 313.A O no hydrogen 2.832 N/A VAL 303.A N ARG 362.A O no hydrogen 2.744 N/A LEU 304.A N THR 311.A O no hydrogen 2.825 N/A HIS 305.A N ILE 360.A O no hydrogen 2.949 N/A LEU 306.A N THR 309.A O no hydrogen 2.996 N/A ARG 308.A NE ASP 195.A O no hydrogen 2.677 N/A ARG 308.A NH2 ASP 195.A O no hydrogen 3.184 N/A THR 311.A N LEU 304.A O no hydrogen 2.960 N/A VAL 313.A N LEU 302.A O no hydrogen 2.815 N/A SER 314.A N SER 339.A O no hydrogen 2.844 N/A LEU 315.A N SER 300.A O no hydrogen 2.875 N/A LYS 316.A N ARG 337.A O no hydrogen 2.886 N/A ILE 317.A N SER 298.A OG no hydrogen 2.846 N/A VAL 318.A N LEU 335.A O no hydrogen 2.980 N/A THR 319.A N LEU 335.A O no hydrogen 3.168 N/A VAL 320.A N LYS 323.A O no hydrogen 2.781 N/A SER 325.A OG HIS 327.A O no hydrogen 2.657 N/A HIS 327.A N SER 325.A OG no hydrogen 3.129 N/A ILE 328.A N ILE 296.A O no hydrogen 2.983 N/A ARG 331.A N PHE 290.A O no hydrogen 3.100 N/A ARG 331.A NH1 GLU 90.A OE1 no hydrogen 3.025 N/A ARG 331.A NH2 GLU 90.A OE1 no hydrogen 2.753 N/A ARG 333.A N ASN 321.A OD1 no hydrogen 3.229 N/A ALA 334.A N ILE 287.A O no hydrogen 3.000 N/A LEU 335.A N THR 319.A O no hydrogen 2.962 N/A VAL 336.A N ALA 285.A O no hydrogen 2.878 N/A ARG 337.A N LYS 316.A O no hydrogen 2.884 N/A ILE 338.A N PHE 283.A O no hydrogen 2.987 N/A SER 339.A N SER 314.A O no hydrogen 2.798 N/A PHE 340.A N ARG 281.A O no hydrogen 2.931 N/A LEU 341.A N SER 312.A O no hydrogen 2.884 N/A PHE 345.A N VAL 280.A O no hydrogen 3.011 N/A LEU 347.A N ARG 278.A O no hydrogen 3.318 N/A ALA 350.A N VAL 373.A O no hydrogen 3.102 N/A GLU 352.A N LEU 349.A O no hydrogen 3.291 N/A CYS 353.A N LEU 349.A O no hydrogen 3.254 N/A CYS 353.A SG GLU 211.A O no hydrogen 3.565 N/A LEU 356.A N CYS 353.A O no hydrogen 2.890 N/A GLY 357.A N PRO 354.A O no hydrogen 2.738 N/A ARG 358.A N PRO 354.A O no hydrogen 2.908 N/A ARG 358.A NH1 VAL 68.A O no hydrogen 2.633 N/A ARG 358.A NH2 VAL 68.A O no hydrogen 3.190 N/A PHE 359.A N GLY 371.A O no hydrogen 3.261 N/A ILE 360.A N HIS 305.A O no hydrogen 3.067 N/A LEU 361.A N ALA 369.A O no hydrogen 2.747 N/A ARG 362.A N VAL 303.A O no hydrogen 2.970 N/A ARG 363.A N ASP 366.A O no hydrogen 2.896 N/A ARG 363.A NH1 GLY 294.A O no hydrogen 2.611 N/A ARG 363.A NH2 GLY 294.A O no hydrogen 2.929 N/A VAL 368.A N LEU 361.A O no hydrogen 2.831 N/A ALA 369.A N LEU 361.A O no hydrogen 3.285 N/A ALA 370.A N GLN 288.A O no hydrogen 3.091 N/A GLY 371.A N PHE 359.A O no hydrogen 3.304 N/A ILE 372.A N GLU 286.A O no hydrogen 3.386 N/A VAL 373.A N GLY 357.A O no hydrogen 2.960 N/A LYS 374.A N VAL 284.A O no hydrogen 2.667 N/A CYS 377.A N SER 282.A O no hydrogen 2.996 N/A