Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3maa_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N ASN 161.A O no hydrogen 3.129 N/A ARG 4.A NE ASP 183.A O no hydrogen 3.125 N/A LEU 5.A N HIS 163.A O no hydrogen 2.779 N/A LEU 7.A N PHE 165.A O no hydrogen 2.841 N/A LEU 8.A N ILE 188.A O no hydrogen 2.621 N/A SER 13.A OG ALA 10.A O no hydrogen 3.178 N/A LYS 15.A NZ GLY 9.A O no hydrogen 2.883 N/A ILE 18.A N LYS 15.A O no hydrogen 2.621 N/A VAL 19.A N LYS 15.A O no hydrogen 2.975 N/A LYS 20.A N SER 16.A O no hydrogen 3.084 N/A LYS 20.A NZ LEU 141.A O no hydrogen 3.327 N/A LYS 20.A NZ CYS 143.A O no hydrogen 2.757 N/A GLN 21.A N THR 17.A O no hydrogen 2.902 N/A GLN 21.A NE2 ALA 309.A O no hydrogen 2.895 N/A MET 22.A N ILE 18.A O no hydrogen 2.977 N/A ARG 23.A N VAL 19.A O no hydrogen 3.193 N/A ARG 23.A N LYS 20.A O no hydrogen 2.843 N/A ILE 24.A N LYS 20.A O no hydrogen 2.939 N/A LEU 25.A N GLN 21.A O no hydrogen 2.491 N/A HIS 26.A N MET 22.A O no hydrogen 2.952 N/A VAL 27.A N ARG 23.A O no hydrogen 2.960 N/A VAL 35.A N LYS 31.A O no hydrogen 3.272 N/A ASP 37.A N THR 33.A O no hydrogen 3.426 N/A ILE 38.A N LYS 34.A O no hydrogen 2.998 N/A LYS 39.A N VAL 35.A O no hydrogen 2.740 N/A ASN 40.A N GLN 36.A O no hydrogen 2.963 N/A ASN 41.A N ASP 37.A O no hydrogen 3.265 N/A ASN 41.A ND2 ARG 144.A O no hydrogen 3.403 N/A LEU 42.A N ILE 38.A O no hydrogen 3.218 N/A LEU 42.A N LYS 39.A O no hydrogen 2.730 N/A LYS 43.A N LYS 39.A O no hydrogen 3.293 N/A LYS 43.A NZ VAL 77.A O no hydrogen 3.290 N/A GLU 44.A N ASN 40.A O no hydrogen 2.946 N/A ALA 45.A N ASN 41.A O no hydrogen 3.054 N/A ALA 45.A N LEU 42.A O no hydrogen 3.102 N/A ILE 46.A N LEU 42.A O no hydrogen 3.191 N/A GLU 47.A N LYS 43.A O no hydrogen 2.891 N/A THR 48.A N GLU 44.A O no hydrogen 3.228 N/A THR 48.A OG1 GLU 44.A O no hydrogen 3.089 N/A ILE 49.A N ILE 46.A O no hydrogen 3.114 N/A VAL 50.A N ILE 46.A O no hydrogen 3.156 N/A ALA 51.A N GLU 47.A O no hydrogen 2.899 N/A MET 53.A N ALA 51.A O no hydrogen 2.949 N/A SER 54.A OG ALA 51.A O no hydrogen 2.875 N/A VAL 60.A N MET 53.A O no hydrogen 2.825 N/A ALA 63.A N ASP 99.A OD1 no hydrogen 3.329 N/A ASN 64.A N ASP 99.A OD2 no hydrogen 3.022 N/A GLU 66.A N GLU 66.A OE1 no hydrogen 2.472 N/A ASN 67.A N ASN 64.A O no hydrogen 2.780 N/A ASN 67.A ND2 ASN 64.A O no hydrogen 3.443 N/A ASN 67.A ND2 ASP 99.A OD2 no hydrogen 2.969 N/A GLN 68.A N PRO 65.A O no hydrogen 3.333 N/A GLN 68.A NE2 GLN 68.A O no hydrogen 2.616 N/A PHE 69.A N GLU 66.A O no hydrogen 3.188 N/A VAL 71.A N ASN 67.A O no hydrogen 2.816 N/A ASP 72.A N GLN 68.A O no hydrogen 3.031 N/A TYR 73.A N PHE 69.A O no hydrogen 2.709 N/A ILE 74.A N ARG 70.A O no hydrogen 2.742 N/A LEU 75.A N VAL 71.A O no hydrogen 3.258 N/A SER 76.A N ASP 72.A O no hydrogen 3.116 N/A SER 76.A N TYR 73.A O no hydrogen 2.924 N/A SER 76.A OG ASP 72.A O no hydrogen 2.405 N/A SER 76.A OG TYR 73.A O no hydrogen 2.288 N/A VAL 77.A N ILE 74.A O no hydrogen 2.883 N/A VAL 80.A N VAL 77.A O no hydrogen 3.147 N/A GLU 88.A N GLU 88.A OE2 no hydrogen 2.454 N/A PHE 89.A N PRO 86.A O no hydrogen 2.747 N/A TYR 90.A N PRO 87.A O no hydrogen 3.243 N/A GLU 91.A N PRO 87.A O no hydrogen 3.226 N/A HIS 92.A N GLU 88.A O no hydrogen 2.753 N/A ALA 93.A N PHE 89.A O no hydrogen 2.606 N/A LYS 94.A N TYR 90.A O no hydrogen 2.780 N/A LYS 94.A NZ ASP 126.A OD2 no hydrogen 3.186 N/A ALA 95.A N GLU 91.A O no hydrogen 3.012 N/A LEU 96.A N HIS 92.A O no hydrogen 3.040 N/A TRP 97.A N ALA 93.A O no hydrogen 2.656 N/A GLU 98.A N LYS 94.A O no hydrogen 2.552 N/A ASP 99.A N ALA 95.A O no hydrogen 2.841 N/A VAL 102.A N ASP 99.A OD1 no hydrogen 2.732 N/A ARG 103.A N ASP 99.A O no hydrogen 3.057 N/A ARG 103.A NH2 ASP 123.A OD1 no hydrogen 3.001 N/A ALA 104.A N GLU 100.A O no hydrogen 2.645 N/A CYS 105.A N GLY 101.A O no hydrogen 3.100 N/A CYS 105.A SG ILE 49.A O no hydrogen 3.669 N/A CYS 105.A SG ALA 52.A O no hydrogen 3.357 N/A TYR 106.A N VAL 102.A O no hydrogen 2.770 N/A ARG 108.A N CYS 105.A O no hydrogen 3.163 N/A ARG 108.A NE GLU 111.A OE2 no hydrogen 3.008 N/A ARG 108.A NH1 PRO 58.A O no hydrogen 2.582 N/A ARG 108.A NH2 GLU 111.A OE1 no hydrogen 2.678 N/A SER 109.A N TYR 106.A O no hydrogen 2.964 N/A ASN 110.A ND2 ASN 197.A O no hydrogen 3.312 N/A GLU 111.A N ARG 108.A O no hydrogen 3.197 N/A TYR 112.A N SER 109.A O no hydrogen 3.207 N/A GLN 113.A NE2 VAL 199.A O no hydrogen 2.926 N/A TYR 120.A OH ASP 139.A OD1 no hydrogen 2.764 N/A PHE 121.A N CYS 117.A O no hydrogen 3.156 N/A PHE 121.A N ALA 118.A O no hydrogen 2.892 N/A LEU 122.A N ALA 118.A O no hydrogen 3.055 N/A ASP 123.A N GLN 119.A O no hydrogen 2.701 N/A LYS 124.A N PHE 121.A O no hydrogen 2.922 N/A ILE 128.A N ILE 125.A O no hydrogen 2.448 N/A LYS 129.A N ILE 125.A O no hydrogen 3.029 N/A GLN 130.A NE2 ASP 126.A O no hydrogen 2.672 N/A TYR 133.A N GLN 130.A O no hydrogen 2.872 N/A GLN 138.A NE2 VAL 310.A O no hydrogen 3.294 N/A ASP 139.A N SER 136.A OG no hydrogen 3.028 N/A LEU 140.A N SER 136.A O no hydrogen 2.937 N/A LEU 141.A N ASP 137.A O no hydrogen 2.761 N/A LEU 141.A N GLN 138.A O no hydrogen 3.051 N/A ARG 142.A N ASP 139.A O no hydrogen 2.792 N/A ARG 142.A NE GLN 138.A OE1 no hydrogen 2.684 N/A ARG 142.A NH2 GLN 138.A OE1 no hydrogen 3.131 N/A CYS 143.A N ASP 139.A O no hydrogen 3.277 N/A CYS 143.A SG ASN 41.A OD1 no hydrogen 3.591 N/A GLY 149.A N GLU 173.A OE1 no hydrogen 3.514 N/A PHE 151.A N ASP 166.A O no hydrogen 3.083 N/A THR 153.A N MET 164.A O no hydrogen 3.029 N/A PHE 155.A N PHE 162.A O no hydrogen 3.055 N/A VAL 157.A N VAL 160.A O no hydrogen 2.911 N/A VAL 160.A N VAL 157.A O no hydrogen 3.080 N/A ASN 161.A N ALA 1.A O no hydrogen 3.127 N/A PHE 162.A N PHE 155.A O no hydrogen 2.553 N/A HIS 163.A N HIS 3.A O no hydrogen 3.485 N/A HIS 163.A ND1 GLU 152.A OE2 no hydrogen 2.697 N/A MET 164.A N THR 153.A O no hydrogen 2.776 N/A PHE 165.A N LEU 5.A O no hydrogen 3.151 N/A ASP 166.A N PHE 151.A O no hydrogen 3.096 N/A ARG 171.A N GLU 202.A OE2 no hydrogen 2.603 N/A ARG 171.A NE GLU 211.A OE1 no hydrogen 3.356 N/A GLU 173.A N GLN 170.A O no hydrogen 2.807 N/A ARG 174.A N ARG 171.A O no hydrogen 3.381 N/A ARG 174.A NH1 GLU 211.A OE2 no hydrogen 2.884 N/A ARG 174.A NH2 GLY 169.A O no hydrogen 3.403 N/A ARG 174.A NH2 GLU 211.A OE2 no hydrogen 2.769 N/A ARG 175.A NE ASP 172.A O no hydrogen 3.126 N/A LYS 176.A NZ GLU 173.A OE2 no hydrogen 3.214 N/A TRP 177.A N ARG 174.A O no hydrogen 3.331 N/A TRP 177.A NE1 GLY 168.A O no hydrogen 3.205 N/A GLN 179.A NE2 LYS 176.A O no hydrogen 2.748 N/A CYS 180.A N TRP 177.A O no hydrogen 2.677 N/A PHE 181.A N ILE 178.A O no hydrogen 2.566 N/A ASN 182.A ND2 ASP 183.A OD2 no hydrogen 2.707 N/A THR 185.A N ARG 4.A O no hydrogen 2.827 N/A THR 185.A OG1 ARG 4.A O no hydrogen 2.731 N/A ILE 187.A N SER 229.A O no hydrogen 3.281 N/A ILE 188.A N LEU 6.A O no hydrogen 2.995 N/A PHE 189.A N ILE 231.A O no hydrogen 2.938 N/A VAL 190.A N LEU 8.A O no hydrogen 2.725 N/A VAL 191.A N PHE 233.A O no hydrogen 3.028 N/A SER 193.A N VAL 191.A O no hydrogen 3.050 N/A SER 193.A OG ASN 235.A O no hydrogen 2.428 N/A SER 194.A OG LYS 236.A O no hydrogen 3.393 N/A SER 195.A N ALA 192.A O no hydrogen 2.883 N/A SER 195.A OG ALA 192.A O no hydrogen 3.308 N/A TYR 196.A OH SER 249.A O no hydrogen 2.572 N/A ILE 200.A N THR 206.A O no hydrogen 2.794 N/A ARG 201.A NE GLU 12.A OE2 no hydrogen 3.473 N/A ARG 201.A NH2 GLU 12.A OE2 no hydrogen 3.366 N/A GLU 202.A N GLU 202.A OE1 no hydrogen 3.200 N/A GLN 205.A N ASP 203.A OD1 no hydrogen 2.717 N/A THR 206.A N ASP 203.A OD1 no hydrogen 3.222 N/A THR 206.A OG1 ASP 203.A OD2 no hydrogen 2.968 N/A ASN 207.A ND2 TYR 196.A O no hydrogen 3.355 N/A ARG 208.A N MET 198.A O no hydrogen 2.801 N/A ARG 208.A NE VAL 199.A O no hydrogen 3.133 N/A ARG 208.A NH1 GLY 11.A O no hydrogen 2.851 N/A ARG 208.A NH2 GLN 113.A OE1 no hydrogen 3.546 N/A GLN 210.A N ASN 207.A OD1 no hydrogen 3.120 N/A GLU 211.A N ASN 207.A O no hydrogen 2.723 N/A ALA 212.A N ARG 208.A O no hydrogen 2.880 N/A LEU 213.A N LEU 209.A O no hydrogen 2.490 N/A ASN 214.A N GLN 210.A O no hydrogen 3.063 N/A LEU 215.A N ALA 212.A O no hydrogen 3.177 N/A PHE 216.A N ALA 212.A O no hydrogen 2.955 N/A LYS 217.A N LEU 213.A O no hydrogen 3.179 N/A SER 218.A OG ASN 214.A O no hydrogen 3.355 N/A ILE 219.A N PHE 216.A O no hydrogen 2.718 N/A TRP 220.A N PHE 216.A O no hydrogen 2.756 N/A ASN 221.A N LYS 217.A O no hydrogen 2.833 N/A ASN 221.A ND2 LYS 217.A O no hydrogen 3.102 N/A ASN 222.A N ILE 219.A O no hydrogen 2.787 N/A TRP 224.A N ASN 222.A OD1 no hydrogen 2.695 N/A LEU 225.A N ASN 222.A O no hydrogen 3.291 N/A SER 229.A OG TYR 301.A O no hydrogen 2.554 N/A VAL 230.A N TYR 301.A O no hydrogen 3.142 N/A ILE 231.A N ILE 187.A O no hydrogen 2.634 N/A LEU 232.A N TYR 303.A O no hydrogen 2.656 N/A PHE 233.A N PHE 189.A O no hydrogen 2.733 N/A LEU 234.A N HIS 305.A O no hydrogen 2.808 N/A ASN 235.A ND2 SER 13.A O no hydrogen 2.758 N/A LYS 236.A NZ GLU 12.A O no hydrogen 2.734 N/A LYS 236.A NZ ASP 116.A OD1 no hydrogen 2.610 N/A GLN 237.A N THR 307.A O no hydrogen 3.167 N/A GLN 237.A NE2 LEU 234.A O no hydrogen 2.683 N/A LEU 239.A N ASP 238.A OD1 no hydrogen 2.584 N/A LEU 240.A N LYS 236.A O no hydrogen 3.084 N/A ALA 241.A N GLN 237.A O no hydrogen 3.075 N/A GLU 242.A N ASP 238.A O no hydrogen 2.959 N/A LYS 243.A N LEU 239.A O no hydrogen 3.054 N/A LYS 243.A NZ SER 194.A O no hydrogen 2.828 N/A LYS 243.A NZ ASN 197.A OD1 no hydrogen 2.675 N/A VAL 244.A N LEU 240.A O no hydrogen 3.121 N/A LEU 245.A N ALA 241.A O no hydrogen 2.840 N/A ALA 246.A N GLU 242.A O no hydrogen 2.539 N/A GLY 247.A N LYS 243.A O no hydrogen 2.726 N/A LYS 248.A NZ GLU 107.A OE1 no hydrogen 2.905 N/A SER 249.A OG TYR 196.A OH no hydrogen 3.399 N/A ASP 253.A N GLU 252.A OE2 no hydrogen 2.874 N/A TYR 254.A N ILE 251.A O no hydrogen 2.661 N/A PHE 255.A N ILE 251.A O no hydrogen 2.934 N/A GLU 257.A N GLU 257.A OE1 no hydrogen 2.589 N/A PHE 258.A N PHE 255.A O no hydrogen 3.089 N/A ARG 260.A N GLU 257.A O no hydrogen 2.773 N/A TYR 261.A N PHE 258.A O no hydrogen 3.231 N/A TYR 261.A OH ASP 286.A OD2 no hydrogen 2.624 N/A THR 263.A N THR 262.A OG1 no hydrogen 2.571 N/A ALA 267.A N PRO 264.A O no hydrogen 2.952 N/A THR 268.A N TYR 282.A OH no hydrogen 2.866 N/A THR 268.A OG1 THR 268.A O no hydrogen 2.365 N/A GLU 273.A N GLU 270.A O no hydrogen 2.994 N/A ARG 276.A N ASP 274.A OD1 no hydrogen 2.855 N/A VAL 277.A N ASP 274.A OD1 no hydrogen 2.998 N/A THR 278.A N ASP 274.A O no hydrogen 2.672 N/A THR 278.A OG1 ASP 274.A O no hydrogen 2.517 N/A ARG 279.A N PRO 275.A O no hydrogen 3.162 N/A ARG 279.A NH2 TYR 261.A O no hydrogen 2.626 N/A ALA 280.A N ARG 276.A O no hydrogen 3.397 N/A LYS 281.A N VAL 277.A O no hydrogen 3.153 N/A LYS 281.A NZ GLU 273.A OE1 no hydrogen 3.455 N/A LYS 281.A NZ GLU 273.A OE2 no hydrogen 3.251 N/A TYR 282.A N THR 278.A O no hydrogen 3.453 N/A PHE 283.A N ARG 279.A O no hydrogen 2.862 N/A ILE 284.A N ALA 280.A O no hydrogen 2.774 N/A ARG 285.A NE ASP 286.A OD1 no hydrogen 3.434 N/A ARG 285.A NH2 ASP 266.A OD2 no hydrogen 3.351 N/A ARG 285.A NH2 ASP 286.A OD1 no hydrogen 3.555 N/A ASP 286.A N TYR 282.A O no hydrogen 2.863 N/A ASP 286.A N PHE 283.A O no hydrogen 2.892 N/A GLU 287.A N PHE 283.A O no hydrogen 3.166 N/A GLU 287.A N ILE 284.A O no hydrogen 3.179 N/A PHE 288.A N ARG 285.A O no hydrogen 3.087 N/A LEU 289.A N ARG 285.A O no hydrogen 2.958 N/A ARG 290.A N ASP 286.A O no hydrogen 3.043 N/A ILE 291.A N PHE 288.A O no hydrogen 3.265 N/A SER 292.A N PHE 288.A O no hydrogen 3.036 N/A SER 292.A OG PHE 288.A O no hydrogen 3.437 N/A SER 292.A OG LEU 289.A O no hydrogen 3.444 N/A THR 293.A N LEU 289.A O no hydrogen 2.903 N/A THR 293.A OG1 LEU 289.A O no hydrogen 2.775 N/A SER 295.A OG ASN 221.A OD1 no hydrogen 2.716 N/A ARG 299.A N GLY 296.A O no hydrogen 3.236 N/A HIS 300.A ND1 ILE 228.A O no hydrogen 2.808 N/A TYR 301.A N SER 229.A OG no hydrogen 2.373 N/A TYR 303.A N VAL 230.A O no hydrogen 3.149 N/A HIS 305.A N LEU 232.A O no hydrogen 3.029 N/A THR 307.A N LEU 234.A O no hydrogen 2.936 N/A CYS 308.A SG ASP 238.A OD2 no hydrogen 3.415 N/A THR 312.A OG1 GLN 21.A OE1 no hydrogen 2.537 N/A ASN 314.A N ASP 311.A O no hydrogen 2.497 N/A ASN 314.A N ASP 311.A OD1 no hydrogen 3.180 N/A ILE 315.A N ASP 311.A O no hydrogen 2.918 N/A ARG 316.A N THR 312.A O no hydrogen 2.813 N/A VAL 318.A N ASN 314.A O no hydrogen 3.091 N/A PHE 319.A N ILE 315.A O no hydrogen 2.726 N/A ASN 320.A N ARG 316.A O no hydrogen 2.690 N/A ASP 321.A N ARG 317.A O no hydrogen 2.809 N/A CYS 322.A N PHE 319.A O no hydrogen 2.927 N/A CYS 322.A SG VAL 318.A O no hydrogen 3.144 N/A ARG 323.A N PHE 319.A O no hydrogen 2.823 N/A ASP 324.A N ASN 320.A O no hydrogen 3.401 N/A ILE 326.A N CYS 322.A O no hydrogen 3.295 N/A GLN 327.A N ASP 324.A O no hydrogen 3.092 N/A