Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mlp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N ARG 86.A O no hydrogen 3.151 N/A THR 6.A N ASP 3.A O no hydrogen 2.731 N/A THR 6.A OG1 ASP 3.A OD1 no hydrogen 3.096 N/A THR 6.A OG1 ASP 3.A OD2 no hydrogen 2.714 N/A ALA 7.A N ASP 3.A O no hydrogen 3.009 N/A ALA 8.A N ALA 4.A O no hydrogen 2.819 N/A SER 10.A N ALA 7.A O no hydrogen 3.010 N/A SER 10.A OG ALA 7.A O no hydrogen 3.188 N/A GLY 11.A N ALA 8.A O no hydrogen 2.828 N/A VAL 12.A N ALA 7.A O no hydrogen 3.177 N/A ALA 15.A N TYR 40.A O no hydrogen 2.864 N/A ARG 16.A N TYR 40.A O no hydrogen 3.285 N/A ALA 17.A N LEU 191.A O no hydrogen 3.086 N/A HIS 18.A N ALA 38.A O no hydrogen 3.034 N/A GLU 20.A N VAL 36.A O no hydrogen 2.826 N/A LYS 21.A NZ HIS 34.A NE2 no hydrogen 3.053 N/A LEU 27.A N PHE 198.A O no hydrogen 2.782 N/A LYS 29.A N HIS 200.A O no hydrogen 2.701 N/A SER 30.A OG ASN 31.A OD1 no hydrogen 2.887 N/A ASN 31.A N ARG 28.A O no hydrogen 2.896 N/A PHE 33.A N LEU 157.A O no hydrogen 2.803 N/A VAL 36.A N LYS 21.A O no hydrogen 3.033 N/A LEU 37.A N LEU 153.A O no hydrogen 2.768 N/A ALA 38.A N HIS 18.A O no hydrogen 3.071 N/A TYR 40.A N ARG 16.A O no hydrogen 3.045 N/A ASP 41.A N GLN 45.A O no hydrogen 3.169 N/A GLY 44.A N ASP 41.A O no hydrogen 2.651 N/A GLN 45.A N ASP 41.A OD1 no hydrogen 2.706 N/A VAL 47.A N LEU 39.A O no hydrogen 2.905 N/A GLU 48.A N LEU 80.A O no hydrogen 2.980 N/A ILE 49.A N ARG 150.A O no hydrogen 3.136 N/A GLU 50.A N GLN 78.A O no hydrogen 2.883 N/A THR 52.A OG1 PRO 145.A O no hydrogen 2.655 N/A ALA 53.A N ARG 76.A O no hydrogen 3.054 N/A PHE 54.A N ASP 144.A OD1 no hydrogen 2.675 N/A VAL 55.A N HIS 74.A O no hydrogen 2.705 N/A GLY 56.A N HIS 74.A O no hydrogen 2.927 N/A VAL 58.A N GLY 72.A O no hydrogen 2.997 N/A GLU 61.A N GLU 61.A OE1 no hydrogen 2.943 N/A LYS 62.A N GLU 59.A O no hydrogen 2.923 N/A GLU 63.A N LYS 60.A O no hydrogen 3.131 N/A GLU 67.A N ASN 65.A OD1 no hydrogen 3.022 N/A THR 69.A N GLU 67.A O no hydrogen 3.152 N/A THR 69.A OG1 GLU 63.A OE2 no hydrogen 3.078 N/A THR 69.A OG1 THR 69.A O no hydrogen 2.182 N/A ASN 71.A ND2 LEU 95.A O no hydrogen 2.809 N/A ASN 71.A ND2 ILE 104.A O no hydrogen 2.535 N/A ILE 73.A N VAL 93.A O no hydrogen 2.928 N/A HIS 74.A N GLY 56.A O no hydrogen 2.411 N/A HIS 74.A NE2 ASP 90.A OD1 no hydrogen 2.648 N/A TYR 75.A N PHE 91.A O no hydrogen 3.081 N/A ARG 76.A N ALA 53.A O no hydrogen 2.993 N/A ARG 76.A NE ASP 90.A OD1 no hydrogen 3.254 N/A LEU 77.A N GLN 89.A O no hydrogen 2.833 N/A GLN 78.A N ARG 51.A O no hydrogen 2.759 N/A GLN 78.A NE2 GLU 50.A OE1 no hydrogen 2.497 N/A LEU 79.A N THR 87.A O no hydrogen 2.912 N/A LEU 80.A N GLU 48.A O no hydrogen 2.859 N/A TYR 81.A N ILE 85.A O no hydrogen 2.809 N/A GLY 84.A N TYR 81.A O no hydrogen 2.722 N/A ARG 86.A NE GLU 50.A OE1 no hydrogen 3.348 N/A THR 87.A N LEU 79.A O no hydrogen 2.695 N/A GLU 88.A N LEU 2.A O no hydrogen 3.151 N/A GLN 89.A N LEU 77.A O no hydrogen 2.822 N/A GLN 89.A NE2 ASP 90.A O no hydrogen 2.833 N/A PHE 91.A N TYR 75.A O no hydrogen 2.860 N/A VAL 93.A N ILE 73.A O no hydrogen 3.259 N/A ARG 94.A N VAL 179.A O no hydrogen 3.211 N/A ARG 94.A NE ASN 71.A O no hydrogen 2.813 N/A ARG 94.A NH1 VAL 184.A O no hydrogen 2.354 N/A ARG 94.A NH2 ASN 71.A O no hydrogen 2.754 N/A LEU 95.A N ASN 71.A OD1 no hydrogen 3.171 N/A ILE 96.A N GLN 177.A O no hydrogen 2.786 N/A ASP 97.A N GLN 102.A O no hydrogen 2.622 N/A SER 98.A N ARG 175.A O no hydrogen 2.984 N/A SER 98.A OG ARG 175.A O no hydrogen 3.511 N/A THR 100.A N ASP 97.A OD1 no hydrogen 2.881 N/A LYS 101.A N ASP 97.A O no hydrogen 2.947 N/A LYS 101.A NZ GLN 177.A OE1 no hydrogen 2.993 N/A ILE 104.A N LEU 95.A O no hydrogen 3.001 N/A GLU 107.A N GLN 161.A OE1 no hydrogen 3.222 N/A ASN 112.A N ASP 110.A OD1 no hydrogen 2.744 N/A GLU 114.A N ASN 112.A OD1 no hydrogen 2.925 N/A MET 115.A N ASN 112.A O no hydrogen 2.784 N/A CYS 116.A N PRO 113.A O no hydrogen 3.392 N/A CYS 116.A SG ASP 110.A O no hydrogen 3.238 N/A CYS 116.A SG ASN 112.A O no hydrogen 3.477 N/A ARG 117.A N MET 115.A O no hydrogen 3.105 N/A ARG 117.A NE GLU 59.A OE1 no hydrogen 3.100 N/A ARG 117.A NH1 GLU 59.A OE1 no hydrogen 2.772 N/A ARG 117.A NH1 GLU 59.A OE2 no hydrogen 3.196 N/A ARG 117.A NH2 GLU 114.A O no hydrogen 2.993 N/A ARG 117.A NH2 GLU 114.A OE1 no hydrogen 2.659 N/A VAL 118.A N ASN 70.A O no hydrogen 2.659 N/A LEU 120.A N LYS 158.A O no hydrogen 2.698 N/A THR 121.A OG1 SER 143.A OG no hydrogen 3.393 N/A GLU 123.A N SER 143.A OG no hydrogen 3.415 N/A MET 125.A N HIS 122.A O no hydrogen 3.119 N/A CYS 126.A N HIS 122.A O no hydrogen 3.380 N/A CYS 126.A SG HIS 122.A NE2 no hydrogen 3.385 N/A ARG 128.A NH2 ASN 137.A OD1 no hydrogen 3.092 N/A CYS 129.A SG HIS 122.A NE2 no hydrogen 3.552 N/A CYS 130.A N CYS 126.A O no hydrogen 3.292 N/A CYS 130.A SG GLU 123.A O no hydrogen 3.529 N/A CYS 130.A SG ILE 124.A O no hydrogen 3.224 N/A CYS 130.A SG CYS 126.A O no hydrogen 3.004 N/A ASP 131.A N SER 127.A O no hydrogen 3.132 N/A CYS 135.A SG HIS 122.A NE2 no hydrogen 3.473 N/A ARG 138.A NH2 GLU 123.A OE1 no hydrogen 3.073 N/A THR 141.A N ASN 137.A O no hydrogen 2.783 N/A THR 141.A OG1 ASN 137.A O no hydrogen 2.820 N/A SER 143.A N GLU 123.A OE2 no hydrogen 2.736 N/A SER 143.A OG THR 121.A OG1 no hydrogen 3.393 N/A VAL 146.A N LYS 154.A O no hydrogen 2.998 N/A ILE 148.A N PHE 152.A O no hydrogen 2.866 N/A PHE 151.A N ASP 149.A O no hydrogen 2.930 N/A PHE 152.A N ILE 148.A O no hydrogen 3.273 N/A LEU 153.A N LEU 37.A O no hydrogen 2.886 N/A LYS 154.A N VAL 146.A O no hydrogen 2.908 N/A PHE 155.A N PHE 35.A O no hydrogen 3.282 N/A LEU 157.A N PHE 33.A O no hydrogen 3.182 N/A LYS 158.A N LEU 120.A O no hydrogen 3.015 N/A CYS 159.A SG VAL 118.A O no hydrogen 3.657 N/A CYS 159.A SG GLN 161.A O no hydrogen 3.458 N/A ASN 160.A N VAL 118.A O no hydrogen 3.082 N/A ASN 160.A ND2 MET 115.A O no hydrogen 2.664 N/A GLN 161.A NE2 ASN 162.A O no hydrogen 3.137 N/A CYS 163.A N VAL 199.A O no hydrogen 2.722 N/A CYS 163.A SG ARG 174.A O no hydrogen 3.226 N/A CYS 163.A SG MET 197.A O no hydrogen 3.844 N/A ARG 171.A N ASN 169.A O no hydrogen 3.012 N/A ARG 171.A NE ASP 172.A OD2 no hydrogen 3.350 N/A ARG 174.A NE CYS 163.A O no hydrogen 2.706 N/A ARG 174.A NH2 CYS 163.A O no hydrogen 3.150 N/A PHE 176.A N MET 197.A O no hydrogen 2.959 N/A GLN 177.A N ILE 96.A O no hydrogen 2.857 N/A GLN 177.A NE2 ASN 196.A OD1 no hydrogen 3.125 N/A VAL 178.A N SER 194.A OG no hydrogen 2.585 N/A VAL 179.A N ARG 94.A O no hydrogen 2.921 N/A VAL 180.A N ALA 192.A O no hydrogen 3.016 N/A SER 181.A N TYR 92.A O no hydrogen 3.127 N/A SER 181.A OG THR 183.A O no hydrogen 2.156 N/A THR 183.A OG1 ASN 185.A O no hydrogen 2.700 N/A ASP 187.A N ASN 185.A OD1 no hydrogen 3.247 N/A LEU 191.A N VAL 180.A O no hydrogen 3.106 N/A SER 194.A N VAL 178.A O no hydrogen 2.796 N/A SER 194.A OG VAL 178.A O no hydrogen 3.325 N/A SER 194.A OG ASP 195.A O no hydrogen 2.986 N/A ASP 195.A N GLN 22.A OE1 no hydrogen 2.716 N/A MET 197.A N PHE 176.A O no hydrogen 2.620 N/A PHE 198.A N SER 25.A O no hydrogen 2.897 N/A HIS 200.A N LEU 27.A O no hydrogen 3.020 N/A ASN 202.A N HIS 200.A ND1 no hydrogen 3.112 N/A LYS 204.A N ASN 202.A OD1 no hydrogen 2.726 N/A HIS 205.A N ASN 202.A O no hydrogen 3.421 N/A ARG 207.A N LYS 204.A O no hydrogen 3.072 N/A SER 215.A N ASP 213.A OD2 no hydrogen 2.855 N/A SER 215.A OG ASP 213.A OD1 no hydrogen 3.165 N/A SER 215.A OG ASP 213.A OD2 no hydrogen 2.545 N/A ALA 217.A N PRO 214.A O no hydrogen 3.189 N/A ALA 218.A N PRO 214.A O no hydrogen 3.074 N/A CYS 221.A N ASP 243.A O no hydrogen 3.105 N/A LYS 223.A N ILE 241.A O no hydrogen 2.873 N/A LYS 223.A NZ ASP 243.A OD2 no hydrogen 2.848 N/A ALA 224.A N ILE 241.A O no hydrogen 3.004 N/A THR 232.A OG1 ARG 275.A O no hydrogen 2.438 N/A GLY 234.A N TRP 231.A O no hydrogen 3.084 N/A GLY 235.A N THR 272.A O no hydrogen 2.679 N/A VAL 238.A N VAL 270.A O no hydrogen 3.060 N/A ILE 240.A N ILE 268.A O no hydrogen 2.911 N/A ILE 241.A N ALA 224.A O no hydrogen 2.753 N/A GLY 242.A N HIS 266.A O no hydrogen 3.057 N/A ASP 243.A N CYS 221.A O no hydrogen 3.232 N/A ASN 244.A ND2 THR 219.A O no hydrogen 2.844 N/A PHE 245.A N PRO 265.A O no hydrogen 2.621 N/A LEU 249.A N PHE 246.A O no hydrogen 3.122 N/A GLN 250.A N SER 286.A O no hydrogen 2.931 N/A ILE 252.A N THR 284.A O no hydrogen 2.882 N/A PHE 253.A N MET 256.A O no hydrogen 2.963 N/A GLY 254.A N GLU 282.A O no hydrogen 3.188 N/A MET 256.A N PHE 253.A O no hydrogen 3.040 N/A VAL 258.A N VAL 251.A O no hydrogen 2.877 N/A SER 260.A OG LEU 249.A O no hydrogen 3.487 N/A GLU 261.A N ARG 269.A O no hydrogen 2.987 N/A ILE 263.A N ALA 267.A O no hydrogen 2.812 N/A THR 264.A N ALA 267.A O no hydrogen 3.119 N/A HIS 266.A ND1 GLY 242.A O no hydrogen 2.909 N/A ALA 267.A N THR 264.A O no hydrogen 2.920 N/A ILE 268.A N ILE 240.A O no hydrogen 3.172 N/A ARG 269.A N GLU 261.A O no hydrogen 2.804 N/A ARG 269.A NH2 GLU 261.A OE1 no hydrogen 2.592 N/A VAL 270.A N VAL 238.A O no hydrogen 3.110 N/A GLN 271.A N TRP 259.A O no hydrogen 3.267 N/A THR 272.A N ALA 236.A O no hydrogen 2.924 N/A THR 272.A OG1 ALA 236.A O no hydrogen 2.694 N/A ARG 275.A N THR 232.A O no hydrogen 2.801 N/A GLY 279.A N TYR 302.A O no hydrogen 2.982 N/A VAL 281.A N PHE 300.A O no hydrogen 3.094 N/A VAL 283.A N GLY 298.A O no hydrogen 2.514 N/A THR 284.A N ILE 252.A O no hydrogen 3.093 N/A LEU 285.A N PHE 292.A O no hydrogen 3.306 N/A SER 286.A N GLN 250.A O no hydrogen 3.145 N/A TYR 287.A N LYS 290.A O no hydrogen 3.260 N/A LYS 290.A N TYR 287.A O no hydrogen 2.751 N/A PHE 292.A N LEU 285.A O no hydrogen 2.612 N/A CYS 293.A SG PRO 220.A O no hydrogen 3.789 N/A PHE 300.A N VAL 281.A O no hydrogen 3.131 N/A ILE 301.A N SER 228.A O no hydrogen 2.767 N/A TYR 302.A N GLY 279.A O no hydrogen 2.940 N/A TYR 302.A OH PRO 273.A O no hydrogen 2.678 N/A THR 303.A N GLY 230.A O no hydrogen 3.420 N/A ARG 313.A N TYR 309.A O no hydrogen 3.137 N/A LEU 314.A N PHE 311.A O no hydrogen 2.425 N/A LYS 319.A NZ ASP 308.A OD1 no hydrogen 2.745 N/A LYS 319.A NZ ASP 308.A OD2 no hydrogen 3.120 N/A ILE 322.A N PRO 318.A O no hydrogen 2.816 N/A LEU 323.A N GLU 320.A O no hydrogen 3.168 N/A LYS 324.A N GLU 320.A O no hydrogen 3.153 N/A ARG 325.A N VAL 321.A O no hydrogen 3.409 N/A ALA 327.A N LEU 323.A O no hydrogen 2.994 N/A ALA 327.A N LYS 324.A O no hydrogen 3.407 N/A ASP 328.A N LYS 324.A O no hydrogen 3.306 N/A LEU 329.A N ARG 325.A O no hydrogen 2.991 N/A GLU 331.A N ALA 327.A O no hydrogen 2.857 N/A ALA 332.A N LEU 329.A O no hydrogen 3.295 N/A LEU 333.A N VAL 330.A O no hydrogen 2.841 N/A TYR 334.A N GLU 331.A O no hydrogen 3.453 N/A GLY 335.A N ALA 332.A O no hydrogen 3.021 N/A