Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3msy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N ASP 59.A OD1 no hydrogen 3.284 N/A ALA 4.A N HIS 23.A O no hydrogen 3.444 N/A LEU 6.A N ARG 21.A O no hydrogen 2.806 N/A ARG 8.A N VAL 19.A O no hydrogen 2.949 N/A GLU 9.A N GLU 9.A OE2 no hydrogen 2.450 N/A PHE 10.A N THR 17.A O no hydrogen 3.223 N/A GLY 12.A N ARG 15.A O no hydrogen 3.038 N/A HIS 14.A ND1 GLY 12.A O no hydrogen 3.019 N/A ARG 15.A NE ASP 304.A OD1 no hydrogen 2.794 N/A ARG 15.A NH1 GLY 35.A O no hydrogen 3.442 N/A ARG 15.A NH1 ASP 36.A OD1 no hydrogen 2.878 N/A ALA 16.A N ASP 36.A OD1 no hydrogen 2.721 N/A THR 17.A N PHE 10.A O no hydrogen 3.428 N/A THR 17.A OG1 THR 34.A O no hydrogen 3.316 N/A THR 17.A OG1 GLY 35.A O no hydrogen 3.034 N/A VAL 19.A N ARG 8.A O no hydrogen 2.734 N/A THR 20.A N ALA 32.A O no hydrogen 2.622 N/A ARG 21.A N LEU 6.A O no hydrogen 2.973 N/A ARG 21.A NE GLU 31.A OE1 no hydrogen 3.469 N/A VAL 22.A N GLY 30.A O no hydrogen 2.527 N/A HIS 23.A N ALA 4.A O no hydrogen 2.732 N/A THR 24.A N ILE 28.A O no hydrogen 3.075 N/A THR 24.A OG1 ALA 26.A O no hydrogen 3.114 N/A THR 24.A OG1 ILE 28.A O no hydrogen 2.882 N/A ASP 25.A N PRO 2.A O no hydrogen 2.834 N/A GLY 30.A N VAL 22.A O no hydrogen 2.757 N/A GLU 31.A N ASP 96.A OD2 no hydrogen 3.255 N/A ALA 32.A N THR 20.A O no hydrogen 2.866 N/A THR 34.A N ILE 18.A O no hydrogen 3.257 N/A THR 34.A OG1 SER 253.A OG no hydrogen 2.458 N/A GLY 35.A N GLU 279.A OE1 no hydrogen 2.782 N/A ASP 42.A N THR 40.A O no hydrogen 2.797 N/A ILE 43.A N THR 40.A O no hydrogen 3.139 N/A ARG 45.A N PHE 41.A O no hydrogen 3.258 N/A ILE 46.A N ASP 42.A O no hydrogen 3.056 N/A ILE 47.A N ILE 43.A O no hydrogen 3.025 N/A HIS 48.A N ASP 44.A O no hydrogen 3.174 N/A GLU 49.A N ARG 45.A O no hydrogen 2.787 N/A GLU 50.A N ILE 46.A O no hydrogen 2.991 N/A LEU 51.A N ILE 46.A O no hydrogen 2.927 N/A ALA 52.A N ILE 47.A O no hydrogen 2.815 N/A THR 54.A N LEU 51.A O no hydrogen 2.847 N/A THR 54.A OG1 LEU 51.A O no hydrogen 2.651 N/A LEU 55.A N ALA 52.A O no hydrogen 2.934 N/A ILE 56.A N ALA 52.A O no hydrogen 3.056 N/A GLN 58.A N LEU 55.A O no hydrogen 2.869 N/A ALA 60.A N ILE 1.A O no hydrogen 2.887 N/A LEU 65.A N ALA 61.A O no hydrogen 3.244 N/A TRP 66.A N ILE 62.A O no hydrogen 2.841 N/A TRP 66.A NE1 GLY 256.A O no hydrogen 3.022 N/A ASP 67.A N GLU 63.A O no hydrogen 2.911 N/A SER 68.A N LEU 65.A O no hydrogen 3.116 N/A SER 68.A OG LEU 65.A O no hydrogen 3.199 N/A GLY 69.A N LEU 65.A O no hydrogen 3.058 N/A TYR 70.A N TRP 66.A O no hydrogen 3.057 N/A VAL 72.A N GLY 69.A O no hydrogen 3.179 N/A THR 73.A N TYR 70.A O no hydrogen 3.042 N/A THR 73.A OG1 TYR 70.A O no hydrogen 2.601 N/A PHE 74.A N LYS 71.A O no hydrogen 2.952 N/A ARG 78.A NH1 GLU 50.A OE1 no hydrogen 3.061 N/A ARG 78.A NH2 GLU 50.A OE2 no hydrogen 3.164 N/A ARG 78.A NH2 VAL 72.A O no hydrogen 2.786 N/A ARG 80.A NH1 THR 73.A O no hydrogen 2.726 N/A ARG 81.A N ASP 79.A OD1 no hydrogen 2.599 N/A ARG 81.A NH1 GLU 231.A O no hydrogen 3.285 N/A ARG 81.A NH1 TRP 254.A O no hydrogen 3.159 N/A ARG 81.A NH1 SER 255.A OG no hydrogen 3.410 N/A ARG 81.A NH2 GLU 231.A O no hydrogen 3.178 N/A LEU 84.A N ARG 80.A O no hydrogen 3.249 N/A VAL 85.A N ARG 81.A O no hydrogen 2.711 N/A ALA 86.A N LEU 82.A O no hydrogen 2.951 N/A LEU 87.A N GLY 83.A O no hydrogen 2.711 N/A ALA 88.A N LEU 84.A O no hydrogen 3.044 N/A ALA 89.A N VAL 85.A O no hydrogen 2.981 N/A VAL 90.A N ALA 86.A O no hydrogen 3.331 N/A ASN 91.A N LEU 87.A O no hydrogen 2.929 N/A THR 92.A N ALA 88.A O no hydrogen 2.807 N/A THR 92.A OG1 ALA 88.A O no hydrogen 2.773 N/A ALA 93.A N ALA 89.A O no hydrogen 3.184 N/A ILE 94.A N VAL 90.A O no hydrogen 2.957 N/A TRP 95.A N ASN 91.A O no hydrogen 3.133 N/A TRP 95.A NE1 THR 259.A OG1 no hydrogen 3.118 N/A ASP 96.A N THR 92.A O no hydrogen 3.349 N/A ALA 97.A N ALA 93.A O no hydrogen 3.220 N/A VAL 98.A N ILE 94.A O no hydrogen 2.950 N/A GLY 99.A N TRP 95.A O no hydrogen 2.815 N/A LYS 100.A N ASP 96.A O no hydrogen 2.893 N/A LYS 100.A NZ ILE 29.A O no hydrogen 3.318 N/A LYS 100.A NZ ASP 96.A OD2 no hydrogen 3.404 N/A ALA 101.A N ALA 97.A O no hydrogen 2.791 N/A LEU 102.A N VAL 98.A O no hydrogen 3.135 N/A LYS 103.A N LYS 100.A O no hydrogen 3.195 N/A LEU 105.A N GLY 328.A O no hydrogen 2.843 N/A TRP 106.A N HIS 285.A ND1 no hydrogen 2.863 N/A TRP 106.A NE1 SER 324.A O no hydrogen 3.029 N/A LYS 107.A N PRO 104.A O no hydrogen 2.860 N/A LEU 108.A N PRO 104.A O no hydrogen 2.980 N/A TRP 109.A N LEU 105.A O no hydrogen 2.813 N/A GLY 110.A N LYS 107.A O no hydrogen 3.050 N/A GLY 111.A N TRP 106.A O no hydrogen 2.779 N/A TYR 112.A N SER 289.A O no hydrogen 3.159 N/A ARG 113.A N ALA 288.A O no hydrogen 3.172 N/A ASN 114.A ND2 LEU 323.A O no hydrogen 3.417 N/A LEU 116.A N LEU 321.A O no hydrogen 2.931 N/A ALA 119.A N GLY 144.A O no hydrogen 3.036 N/A ILE 120.A N CYS 298.A O no hydrogen 2.772 N/A GLY 121.A N LYS 146.A O no hydrogen 3.334 N/A GLY 122.A N GLU 134.A OE1 no hydrogen 3.104 N/A GLY 122.A N GLU 134.A OE2 no hydrogen 2.853 N/A TYR 124.A OH ASP 157.A OD1 no hydrogen 2.462 N/A GLU 126.A N TYR 123.A O no hydrogen 3.258 N/A GLY 129.A N GLU 126.A O no hydrogen 3.045 N/A SER 130.A OG ASP 133.A OD2 no hydrogen 3.038 N/A ASP 133.A N SER 130.A OG no hydrogen 3.309 N/A GLU 134.A N SER 130.A O no hydrogen 2.850 N/A HIS 135.A NE2 ALA 167.A O no hydrogen 3.010 N/A ASN 136.A N ASP 133.A O no hydrogen 2.738 N/A ASN 136.A ND2 HIS 300.A NE2 no hydrogen 2.825 N/A TYR 137.A N GLU 134.A O no hydrogen 2.988 N/A TYR 137.A OH GLU 134.A OE2 no hydrogen 2.632 N/A GLN 138.A NE2 ALA 168.A O no hydrogen 3.445 N/A GLU 139.A N HIS 135.A O no hydrogen 2.759 N/A LEU 140.A N ASN 136.A O no hydrogen 3.045 N/A GLY 141.A N GLN 138.A O no hydrogen 2.925 N/A LEU 142.A N TYR 137.A O no hydrogen 3.086 N/A VAL 145.A N ILE 173.A O no hydrogen 2.803 N/A LYS 146.A N ALA 119.A O no hydrogen 2.741 N/A LYS 146.A NZ GLU 203.A OE1 no hydrogen 3.042 N/A LYS 146.A NZ GLU 203.A OE2 no hydrogen 2.683 N/A LYS 146.A NZ GLU 297.A OE1 no hydrogen 2.712 N/A PHE 147.A N CYS 175.A O no hydrogen 2.701 N/A LYS 148.A N GLY 121.A O no hydrogen 3.158 N/A LYS 148.A NZ ASP 177.A OD2 no hydrogen 2.697 N/A VAL 149.A N ASP 177.A O no hydrogen 2.739 N/A GLY 150.A N TYR 182.A OH no hydrogen 2.964 N/A GLY 151.A N TYR 124.A OH no hydrogen 3.266 N/A LEU 152.A N ASP 157.A OD2 no hydrogen 3.175 N/A SER 153.A N GLU 156.A OE1 no hydrogen 3.128 N/A SER 153.A OG GLU 156.A OE1 no hydrogen 2.598 N/A GLU 156.A N SER 153.A OG no hydrogen 2.929 N/A ASP 157.A N SER 153.A O no hydrogen 3.103 N/A ALA 158.A N ALA 154.A O no hydrogen 2.990 N/A ALA 159.A N ALA 155.A O no hydrogen 3.140 N/A ARG 160.A N GLU 156.A O no hydrogen 2.894 N/A ARG 160.A NH1 LYS 148.A O no hydrogen 3.054 N/A ARG 160.A NH1 ASP 157.A OD1 no hydrogen 3.118 N/A ARG 160.A NH2 LYS 148.A O no hydrogen 3.039 N/A ILE 161.A N ASP 157.A O no hydrogen 2.741 N/A THR 162.A N ALA 158.A O no hydrogen 2.816 N/A THR 162.A OG1 ALA 158.A O no hydrogen 2.627 N/A ALA 163.A N ALA 159.A O no hydrogen 2.934 N/A ALA 164.A N ARG 160.A O no hydrogen 3.134 N/A ARG 165.A N ILE 161.A O no hydrogen 3.159 N/A ARG 165.A NE GLY 169.A O no hydrogen 2.737 N/A ARG 165.A NH1 LEU 197.A O no hydrogen 2.424 N/A ARG 165.A NH1 ASN 198.A O no hydrogen 3.468 N/A ARG 165.A NH2 GLY 169.A O no hydrogen 3.309 N/A ARG 165.A NH2 PHE 172.A O no hydrogen 2.484 N/A GLU 166.A N THR 162.A O no hydrogen 2.800 N/A ALA 167.A N ALA 163.A O no hydrogen 2.813 N/A ALA 168.A N ALA 164.A O no hydrogen 2.832 N/A GLY 169.A N ARG 165.A O no hydrogen 2.923 N/A PHE 172.A N ASP 170.A O no hydrogen 3.047 N/A ILE 173.A N ALA 143.A O no hydrogen 2.897 N/A CYS 175.A N VAL 145.A O no hydrogen 2.822 N/A ILE 176.A N TRP 201.A O no hydrogen 2.957 N/A ASP 177.A N PHE 147.A O no hydrogen 2.699 N/A ALA 178.A N GLU 203.A O no hydrogen 3.045 N/A ASN 179.A N ASP 177.A OD1 no hydrogen 3.088 N/A GLN 180.A N GLU 204.A O no hydrogen 2.623 N/A TYR 182.A N PRO 205.A O no hydrogen 2.788 N/A TYR 182.A OH ASP 157.A OD2 no hydrogen 2.454 N/A ALA 187.A N LYS 183.A O no hydrogen 2.896 N/A VAL 188.A N PRO 184.A O no hydrogen 2.987 N/A ASP 189.A N ALA 185.A O no hydrogen 3.108 N/A LEU 190.A N VAL 186.A O no hydrogen 2.982 N/A SER 191.A N ALA 187.A O no hydrogen 2.933 N/A ARG 192.A N VAL 188.A O no hydrogen 2.842 N/A ARG 192.A NE GLN 220.A O no hydrogen 3.092 N/A ARG 192.A NH2 GLN 220.A O no hydrogen 3.280 N/A ARG 193.A N ASP 189.A O no hydrogen 3.020 N/A ARG 193.A NE ASP 189.A OD1 no hydrogen 3.338 N/A ILE 194.A N LEU 190.A O no hydrogen 3.153 N/A ILE 194.A N SER 191.A O no hydrogen 3.304 N/A ALA 195.A N ARG 192.A O no hydrogen 3.267 N/A LEU 197.A N ILE 194.A O no hydrogen 2.976 N/A ARG 200.A N ILE 174.A O no hydrogen 3.014 N/A ARG 200.A NH1 ARG 200.A O no hydrogen 3.175 N/A ARG 200.A NH2 GLN 274.A OE1 no hydrogen 2.856 N/A PHE 202.A N PRO 224.A O no hydrogen 2.703 N/A GLU 203.A N ILE 176.A O no hydrogen 2.857 N/A GLU 204.A N CYS 226.A O no hydrogen 2.973 N/A GLU 207.A N TYR 182.A O no hydrogen 2.874 N/A HIS 209.A NE2 GLU 207.A OE1 no hydrogen 3.155 N/A ASN 210.A ND2 SER 214.A OG no hydrogen 3.034 N/A ASP 211.A N TRP 208.A O no hydrogen 3.249 N/A SER 214.A N ASN 210.A O no hydrogen 2.965 N/A SER 214.A OG ASN 210.A O no hydrogen 3.390 N/A ARG 215.A NH1 ASP 216.A OD1 no hydrogen 2.714 N/A ASP 216.A N ARG 213.A O no hydrogen 3.223 N/A VAL 217.A N SER 214.A O no hydrogen 3.192 N/A ARG 218.A NE ASP 246.A OD1 no hydrogen 3.204 N/A ARG 218.A NE ASP 246.A OD2 no hydrogen 3.019 N/A ARG 218.A NH1 GLY 243.A O no hydrogen 3.014 N/A ARG 218.A NH2 ASP 246.A OD1 no hydrogen 2.947 N/A TYR 219.A N ARG 215.A O no hydrogen 3.001 N/A GLN 220.A N ASP 216.A O no hydrogen 2.676 N/A GLY 221.A N VAL 217.A O no hydrogen 2.756 N/A SER 222.A N SER 191.A OG no hydrogen 2.626 N/A VAL 223.A N SER 191.A OG no hydrogen 3.279 N/A VAL 225.A N ASP 246.A OD2 no hydrogen 2.949 N/A CYS 226.A N PHE 202.A O no hydrogen 2.851 N/A CYS 226.A SG VAL 247.A O no hydrogen 3.470 N/A ALA 227.A N VAL 247.A O no hydrogen 3.170 N/A GLN 229.A N ASN 249.A OD1 no hydrogen 3.110 N/A THR 230.A OG1 GLU 204.A OE2 no hydrogen 2.390 N/A GLU 231.A N GLY 228.A O no hydrogen 2.928 N/A CYS 237.A N SER 233.A O no hydrogen 3.152 N/A CYS 237.A SG SER 233.A O no hydrogen 3.599 N/A ARG 238.A N ALA 234.A O no hydrogen 2.830 N/A ASP 239.A N SER 235.A O no hydrogen 3.000 N/A LEU 240.A N GLY 236.A O no hydrogen 3.122 N/A THR 242.A N ASP 239.A O no hydrogen 2.837 N/A THR 242.A OG1 ASP 239.A O no hydrogen 2.728 N/A ALA 244.A N LEU 240.A O no hydrogen 2.910 N/A ASP 246.A N VAL 225.A O no hydrogen 2.687 N/A VAL 247.A N VAL 225.A O no hydrogen 3.194 N/A CYS 248.A N GLN 274.A O no hydrogen 2.736 N/A CYS 248.A SG ALA 227.A O no hydrogen 3.765 N/A ASN 249.A N ALA 227.A O no hydrogen 3.127 N/A SER 252.A N HIS 276.A NE2 no hydrogen 3.109 N/A SER 253.A N ASP 251.A OD2 no hydrogen 2.974 N/A SER 253.A OG THR 34.A OG1 no hydrogen 2.458 N/A SER 253.A OG GLU 279.A OE1 no hydrogen 2.721 N/A TRP 254.A N ASP 251.A O no hydrogen 3.053 N/A SER 255.A N ASP 251.A O no hydrogen 3.027 N/A SER 255.A OG GLU 231.A O no hydrogen 3.367 N/A SER 255.A OG ASP 251.A O no hydrogen 3.258 N/A GLY 257.A N SER 252.A O no hydrogen 2.853 N/A THR 259.A OG1 ASN 91.A OD1 no hydrogen 2.881 N/A ALA 260.A N GLY 257.A O no hydrogen 2.968 N/A TRP 261.A N GLY 257.A O no hydrogen 3.071 N/A LEU 262.A N PRO 258.A O no hydrogen 2.751 N/A ARG 263.A N ALA 260.A O no hydrogen 2.954 N/A ARG 263.A NH2 GLU 63.A OE1 no hydrogen 2.801 N/A THR 264.A N ALA 260.A O no hydrogen 3.224 N/A ALA 265.A N TRP 261.A O no hydrogen 2.992 N/A ALA 266.A N LEU 262.A O no hydrogen 3.108 N/A ILE 267.A N ARG 263.A O no hydrogen 3.056 N/A ALA 268.A N THR 264.A O no hydrogen 2.929 N/A THR 269.A N ALA 265.A O no hydrogen 3.225 N/A THR 269.A OG1 ALA 266.A O no hydrogen 2.397 N/A SER 270.A N ILE 267.A O no hydrogen 2.943 N/A SER 270.A OG ALA 266.A O no hydrogen 3.434 N/A SER 270.A OG ILE 267.A O no hydrogen 3.321 N/A TYR 271.A N ALA 268.A O no hydrogen 2.972 N/A TYR 271.A OH GLU 241.A OE2 no hydrogen 2.566 N/A ASP 272.A N THR 269.A O no hydrogen 3.270 N/A VAL 273.A N ALA 268.A O no hydrogen 2.884 N/A GLN 274.A N ASP 246.A O no hydrogen 2.935 N/A HIS 276.A ND1 HIS 277.A O no hydrogen 3.096 N/A HIS 277.A ND1 ASP 251.A OD1 no hydrogen 3.319 N/A GLU 278.A N GLU 297.A OE1 no hydrogen 3.237 N/A GLN 281.A N GLN 281.A OE1 no hydrogen 2.613 N/A GLN 281.A NE2 TYR 33.A O no hydrogen 2.831 N/A VAL 282.A N GLU 279.A O no hydrogen 3.042 N/A SER 283.A N GLU 279.A O no hydrogen 2.985 N/A THR 284.A N PRO 280.A O no hydrogen 3.314 N/A THR 284.A OG1 PRO 280.A O no hydrogen 2.916 N/A HIS 285.A NE2 LEU 329.A O no hydrogen 2.864 N/A LEU 286.A N VAL 282.A O no hydrogen 3.352 N/A LEU 287.A N SER 283.A O no hydrogen 2.860 N/A ALA 288.A N THR 284.A O no hydrogen 3.181 N/A SER 289.A N HIS 285.A O no hydrogen 3.037 N/A SER 289.A OG HIS 285.A O no hydrogen 3.246 N/A SER 289.A OG LEU 286.A O no hydrogen 2.659 N/A GLN 290.A N LEU 287.A O no hydrogen 3.139 N/A GLN 290.A NE2 TRP 109.A O no hydrogen 3.267 N/A GLN 290.A NE2 SER 289.A OG no hydrogen 3.095 N/A HIS 292.A N HIS 292.A ND1 no hydrogen 2.594 N/A HIS 292.A NE2 ALA 265.A O no hydrogen 3.080 N/A GLY 293.A N GLN 290.A O no hydrogen 3.121 N/A ILE 295.A N THR 294.A OG1 no hydrogen 2.627 N/A ALA 296.A N PRO 117.A O no hydrogen 3.112 N/A CYS 298.A N ILE 118.A O no hydrogen 3.014 N/A CYS 298.A SG PHE 299.A O no hydrogen 3.813 N/A ASP 302.A N HIS 300.A ND1 no hydrogen 2.891 N/A ARG 303.A N HIS 300.A O no hydrogen 2.692 N/A ARG 303.A NH1 ARG 303.A O no hydrogen 2.931 N/A ASP 304.A N HIS 300.A O no hydrogen 2.992 N/A TRP 308.A NE1 PHE 299.A O no hydrogen 2.920 N/A ASN 309.A N PRO 305.A O no hydrogen 2.687 N/A THR 311.A N ASP 332.A O no hydrogen 2.802 N/A THR 311.A OG1 ASP 332.A O no hydrogen 3.076 N/A THR 311.A OG1 ASP 332.A OD1 no hydrogen 2.820 N/A ASN 312.A ND2 GLY 330.A O no hydrogen 3.202 N/A ARG 313.A NE TRP 308.A O no hydrogen 3.496 N/A ARG 313.A NH2 TRP 308.A O no hydrogen 3.495 N/A ASN 317.A N THR 320.A O no hydrogen 3.016 N/A THR 320.A N ASN 317.A O no hydrogen 3.041 N/A LEU 321.A N LEU 116.A O no hydrogen 2.730 N/A LEU 323.A N ASN 114.A O no hydrogen 2.674 N/A ARG 326.A N SER 324.A OG no hydrogen 2.691 N/A LEU 329.A N ASP 96.A OD1 no hydrogen 2.560 N/A TRP 331.A NE1 GLN 281.A O no hydrogen 2.647 N/A ASP 332.A N ASN 312.A OD1 no hydrogen 3.030 N/A ILE 338.A N ASN 334.A O no hydrogen 3.079 N/A ASP 339.A N TRP 335.A O no hydrogen 3.225 N/A