Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r5c_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 7.A N LEU 95.A O no hydrogen 2.868 N/A PHE 7.A N ALA 96.A O no hydrogen 3.167 N/A SER 8.A N LEU 95.A O no hydrogen 3.169 N/A SER 8.A OG LEU 31.A O no hydrogen 2.738 N/A LEU 9.A N LEU 31.A O no hydrogen 3.209 N/A ALA 10.A N THR 93.A O no hydrogen 3.042 N/A GLY 12.A N VAL 91.A O no hydrogen 2.879 N/A VAL 13.A N PHE 26.A O no hydrogen 3.024 N/A GLY 14.A N PRO 89.A O no hydrogen 3.131 N/A THR 15.A N GLU 24.A O no hydrogen 3.012 N/A ASN 17.A N ALA 21.A O no hydrogen 2.942 N/A ASN 17.A ND2 ASP 145.A OD2 no hydrogen 2.815 N/A ARG 18.A N GLU 148.A OE2 no hydrogen 2.793 N/A GLU 20.A N ASN 17.A O no hydrogen 2.887 N/A ALA 21.A N ASN 17.A OD1 no hydrogen 2.993 N/A LEU 23.A N THR 15.A O no hydrogen 2.882 N/A PHE 26.A N VAL 13.A O no hydrogen 2.862 N/A TYR 27.A N HIS 112.A NE2 no hydrogen 3.152 N/A TYR 27.A OH THR 93.A OG1 no hydrogen 3.390 N/A TYR 27.A OH ALA 105.A O no hydrogen 2.694 N/A LEU 31.A N LEU 9.A O no hydrogen 3.084 N/A LYS 33.A N PHE 7.A O no hydrogen 2.878 N/A SER 35.A OG GLU 37.A OE2 no hydrogen 3.559 N/A SER 36.A OG GLU 37.A OE2 no hydrogen 3.414 N/A GLU 37.A N GLU 37.A OE2 no hydrogen 2.746 N/A ILE 38.A N SER 35.A OG no hydrogen 3.319 N/A VAL 39.A N SER 35.A O no hydrogen 3.282 N/A ALA 40.A N SER 36.A O no hydrogen 2.940 N/A ALA 41.A N GLU 37.A O no hydrogen 3.258 N/A VAL 42.A N ILE 38.A O no hydrogen 3.202 N/A VAL 42.A N VAL 39.A O no hydrogen 3.182 N/A ALA 43.A N VAL 39.A O no hydrogen 2.792 N/A LEU 46.A N VAL 42.A O no hydrogen 3.068 N/A GLY 47.A N ALA 43.A O no hydrogen 2.779 N/A TYR 48.A N ALA 43.A O no hydrogen 2.985 N/A TYR 48.A OH GLY 51.A O no hydrogen 2.568 N/A ASN 52.A ND2 GLU 97.A O no hydrogen 2.991 N/A ASN 52.A ND2 GLU 106.A OE1 no hydrogen 3.250 N/A GLN 53.A N LEU 94.A O no hydrogen 2.763 N/A LEU 55.A N ALA 92.A O no hydrogen 2.701 N/A PHE 57.A N LEU 90.A O no hydrogen 3.337 N/A SER 59.A OG ALA 84.A O no hydrogen 2.543 N/A GLN 61.A NE2 THR 58.A OG1 no hydrogen 3.317 N/A ALA 62.A N THR 58.A O no hydrogen 2.773 N/A TYR 63.A N SER 59.A O no hydrogen 3.083 N/A TYR 63.A OH GLU 85.A OE1 no hydrogen 2.747 N/A TYR 63.A OH GLU 85.A OE2 no hydrogen 3.248 N/A GLN 64.A N GLN 60.A O no hydrogen 2.981 N/A LEU 65.A N GLN 61.A O no hydrogen 2.745 N/A ALA 66.A N ALA 62.A O no hydrogen 2.917 N/A ASP 67.A N TYR 63.A O no hydrogen 2.917 N/A ALA 68.A N GLN 64.A O no hydrogen 3.003 N/A LEU 69.A N LEU 65.A O no hydrogen 3.046 N/A LYS 70.A N ALA 66.A O no hydrogen 3.059 N/A LYS 70.A N ASP 67.A O no hydrogen 3.150 N/A LYS 70.A NZ ASP 67.A O no hydrogen 3.488 N/A LYS 70.A NZ ASP 67.A OD2 no hydrogen 2.833 N/A ILE 72.A N LEU 69.A O no hydrogen 2.850 N/A ASP 73.A N LEU 69.A O no hydrogen 2.867 N/A GLN 76.A N ASP 73.A OD1 no hydrogen 2.882 N/A GLN 76.A NE2 LEU 29.A O no hydrogen 3.025 N/A SER 77.A N ASP 73.A O no hydrogen 3.052 N/A SER 77.A OG ALA 66.A O no hydrogen 2.823 N/A ALA 78.A N ALA 74.A O no hydrogen 2.922 N/A LEU 79.A N ALA 75.A O no hydrogen 2.959 N/A LEU 80.A N GLN 76.A O no hydrogen 2.981 N/A SER 81.A N SER 77.A O no hydrogen 2.971 N/A ARG 82.A N ALA 78.A O no hydrogen 3.166 N/A LEU 83.A N LEU 79.A O no hydrogen 2.735 N/A ALA 84.A N LEU 80.A O no hydrogen 2.820 N/A GLU 85.A N ARG 82.A O no hydrogen 2.919 N/A SER 86.A N LEU 83.A O no hydrogen 2.945 N/A SER 86.A OG LYS 88.A O no hydrogen 3.244 N/A LYS 88.A N SER 86.A OG no hydrogen 2.747 N/A VAL 91.A N GLY 12.A O no hydrogen 2.957 N/A ALA 92.A N LEU 55.A O no hydrogen 2.748 N/A THR 93.A N ALA 10.A O no hydrogen 3.119 N/A THR 93.A OG1 TYR 27.A OH no hydrogen 3.390 N/A LEU 94.A N GLN 53.A O no hydrogen 2.895 N/A LEU 95.A N SER 8.A O no hydrogen 2.912 N/A ALA 96.A N GLY 51.A O no hydrogen 3.140 N/A GLU 97.A N ASN 52.A OD1 no hydrogen 3.098 N/A SER 102.A N GLU 106.A OE2 no hydrogen 2.922 N/A THR 104.A OG1 LEU 132.A O no hydrogen 2.611 N/A GLU 106.A N SER 103.A OG no hydrogen 3.014 N/A ALA 107.A N SER 103.A O no hydrogen 2.841 N/A TYR 108.A N THR 104.A O no hydrogen 2.897 N/A TYR 108.A OH LEU 23.A O no hydrogen 3.274 N/A LEU 109.A N ALA 105.A O no hydrogen 3.051 N/A LYS 110.A N GLU 106.A O no hydrogen 2.968 N/A LYS 110.A NZ ASP 98.A OD1 no hydrogen 2.587 N/A LYS 110.A NZ ALA 99.A O no hydrogen 2.765 N/A LYS 110.A NZ ASN 125.A O no hydrogen 2.722 N/A LEU 111.A N ALA 107.A O no hydrogen 3.204 N/A HIS 112.A N TYR 108.A O no hydrogen 2.987 N/A HIS 112.A ND1 TYR 108.A O no hydrogen 2.749 N/A LEU 113.A N LEU 109.A O no hydrogen 2.973 N/A LEU 114.A N LYS 110.A O no hydrogen 3.326 N/A SER 115.A N LEU 111.A O no hydrogen 2.974 N/A SER 115.A OG ALA 195.A O no hydrogen 2.665 N/A HIS 116.A N HIS 112.A O no hydrogen 2.764 N/A ARG 117.A N LEU 114.A O no hydrogen 2.904 N/A ARG 117.A NE ILE 197.A O no hydrogen 2.760 N/A ARG 117.A NH1 ALA 181.A O no hydrogen 3.462 N/A ARG 117.A NH2 ALA 181.A O no hydrogen 2.515 N/A ARG 117.A NH2 ILE 197.A O no hydrogen 3.049 N/A LEU 118.A N LEU 113.A O no hydrogen 2.814 N/A VAL 119.A N LEU 113.A O no hydrogen 3.238 N/A LYS 120.A NZ GLU 216.A OE2 no hydrogen 3.024 N/A HIS 122.A N ASN 212.A OD1 no hydrogen 2.967 N/A ALA 123.A N LYS 120.A O no hydrogen 3.053 N/A ASN 125.A N ASP 98.A OD1 no hydrogen 2.891 N/A SER 127.A N ASN 125.A OD1 no hydrogen 3.000 N/A ILE 129.A N LEU 126.A O no hydrogen 3.152 N/A LEU 132.A N ILE 129.A O no hydrogen 2.989 N/A LEU 133.A N PHE 130.A O no hydrogen 3.099 N/A VAL 136.A N ASP 169.A O no hydrogen 3.083 N/A ALA 137.A N VAL 144.A O no hydrogen 2.965 N/A TRP 138.A N SER 167.A O no hydrogen 2.766 N/A TRP 138.A NE1 ASP 169.A O no hydrogen 3.043 N/A THR 139.A N GLY 142.A O no hydrogen 3.099 N/A THR 139.A OG1 GLY 142.A O no hydrogen 2.827 N/A ASN 140.A N GLU 164.A O no hydrogen 3.206 N/A ILE 141.A N THR 139.A OG1 no hydrogen 3.011 N/A GLY 142.A N THR 139.A O no hydrogen 2.967 N/A VAL 144.A N ALA 137.A O no hydrogen 2.892 N/A ALA 147.A N ASP 145.A OD1 no hydrogen 2.947 N/A GLU 148.A N ASP 145.A O no hydrogen 2.892 N/A GLN 153.A N LEU 149.A O no hydrogen 2.853 N/A LEU 154.A N ALA 150.A O no hydrogen 3.178 N/A GLU 155.A N GLU 151.A O no hydrogen 3.072 N/A ALA 156.A N LEU 152.A O no hydrogen 3.231 N/A ARG 157.A N GLN 153.A O no hydrogen 3.193 N/A LEU 158.A N LEU 154.A O no hydrogen 3.036 N/A LYS 159.A N GLU 155.A O no hydrogen 3.351 N/A LYS 159.A N ALA 156.A O no hydrogen 3.172 N/A GLY 160.A N ARG 157.A O no hydrogen 3.053 N/A LYS 161.A N ALA 156.A O no hydrogen 2.855 N/A GLU 164.A N ASN 140.A OD1 no hydrogen 2.754 N/A PHE 166.A N TRP 138.A O no hydrogen 3.085 N/A SER 167.A N TRP 138.A O no hydrogen 3.424 N/A ASP 169.A N VAL 136.A O no hydrogen 3.109 N/A LYS 170.A N ASP 169.A OD1 no hydrogen 2.724 N/A LYS 170.A NZ PHE 130.A O no hydrogen 2.940 N/A LYS 170.A NZ LEU 133.A O no hydrogen 2.530 N/A LYS 173.A NZ ASP 176.A OD2 no hydrogen 2.575 N/A MET 174.A N VAL 191.A O no hydrogen 2.901 N/A ASP 176.A N LYS 173.A O no hydrogen 3.298 N/A TYR 177.A N MET 174.A O no hydrogen 2.708 N/A TYR 177.A OH GLU 24.A OE2 no hydrogen 2.681 N/A VAL 178.A N MET 174.A O no hydrogen 2.843 N/A ARG 184.A N THR 201.A O no hydrogen 3.199 N/A ALA 186.A N VAL 203.A O no hydrogen 2.840 N/A ALA 189.A N ASP 187.A OD1 no hydrogen 3.316 N/A ARG 190.A N ASP 187.A O no hydrogen 3.228 N/A ARG 190.A NH1 GLY 207.A O no hydrogen 3.215 N/A VAL 191.A N THR 188.A O no hydrogen 3.318 N/A ARG 192.A N VAL 209.A O no hydrogen 3.210 N/A ARG 192.A NH2 ASP 169.A OD2 no hydrogen 2.697 N/A LEU 193.A N PRO 172.A O no hydrogen 3.034 N/A GLY 194.A N SER 115.A OG no hydrogen 2.889 N/A ALA 195.A N ARG 192.A O no hydrogen 2.951 N/A TYR 196.A N ALA 213.A O no hydrogen 2.858 N/A GLY 198.A N THR 215.A OG1 no hydrogen 2.926 N/A GLY 200.A N GLY 182.A O no hydrogen 2.658 N/A THR 201.A N GLY 198.A O no hydrogen 3.018 N/A THR 201.A OG1 GLY 198.A O no hydrogen 2.584 N/A THR 201.A OG1 THR 215.A OG1 no hydrogen 2.691 N/A THR 202.A N GLY 219.A O no hydrogen 2.843 N/A VAL 203.A N ARG 184.A O no hydrogen 2.782 N/A MET 204.A N ILE 221.A O no hydrogen 2.782 N/A GLY 207.A N MET 204.A O no hydrogen 2.836 N/A PHE 208.A N GLY 223.A O no hydrogen 3.059 N/A VAL 209.A N ARG 190.A O no hydrogen 3.070 N/A ASN 210.A N VAL 225.A O no hydrogen 3.034 N/A ASN 212.A N GLY 194.A O no hydrogen 2.828 N/A GLY 214.A N VAL 229.A O no hydrogen 2.915 N/A THR 215.A N TYR 196.A O no hydrogen 2.979 N/A THR 215.A OG1 THR 201.A OG1 no hydrogen 2.691 N/A GLU 216.A N VAL 231.A O no hydrogen 2.847 N/A GLY 219.A N GLY 200.A O no hydrogen 3.167 N/A MET 220.A N ASP 236.A OD1 no hydrogen 3.166 N/A ILE 221.A N THR 202.A O no hydrogen 2.817 N/A GLU 222.A N LEU 237.A O no hydrogen 2.910 N/A ARG 224.A N CYS 241.A O no hydrogen 2.829 N/A VAL 225.A N PHE 208.A O no hydrogen 2.714 N/A SER 226.A N THR 243.A OG1 no hydrogen 3.029 N/A SER 226.A OG THR 243.A O no hydrogen 2.425 N/A GLY 228.A N ASN 212.A O no hydrogen 2.840 N/A VAL 229.A N SER 226.A O no hydrogen 3.042 N/A VAL 231.A N GLY 214.A O no hydrogen 2.640 N/A GLY 232.A N VAL 251.A O no hydrogen 2.782 N/A GLY 234.A N PRO 218.A O no hydrogen 2.835 N/A SER 235.A OG GLY 252.A O no hydrogen 2.592 N/A ASP 236.A N CYS 255.A O no hydrogen 2.937 N/A LEU 237.A N MET 220.A O no hydrogen 2.800 N/A GLY 238.A N ILE 257.A O no hydrogen 2.735 N/A GLY 240.A N GLU 222.A O no hydrogen 2.722 N/A CYS 241.A N GLY 238.A O no hydrogen 3.098 N/A CYS 241.A SG GLY 238.A O no hydrogen 3.198 N/A SER 242.A N ALA 261.A O no hydrogen 2.927 N/A SER 242.A OG TYR 278.A OH no hydrogen 2.692 N/A THR 243.A N ARG 224.A O no hydrogen 3.156 N/A THR 243.A OG1 ARG 224.A O no hydrogen 2.513 N/A MET 244.A N ILE 263.A O no hydrogen 3.096 N/A THR 246.A OG1 ILE 247.A O no hydrogen 3.538 N/A VAL 251.A N PHE 230.A O no hydrogen 2.901 N/A GLY 252.A N LEU 267.A O no hydrogen 2.996 N/A GLU 253.A N ASP 269.A OD1 no hydrogen 2.876 N/A GLY 254.A N LYS 233.A O no hydrogen 2.971 N/A CYS 255.A N SER 235.A OG no hydrogen 2.988 N/A CYS 255.A SG GLU 253.A O no hydrogen 3.966 N/A CYS 255.A SG GLY 268.A O no hydrogen 3.129 N/A LEU 256.A N ASN 271.A O no hydrogen 3.010 N/A ILE 257.A N ASP 236.A O no hydrogen 2.912 N/A GLY 258.A N VAL 273.A O no hydrogen 2.783 N/A ASN 260.A N GLY 239.A O no hydrogen 2.871 N/A ALA 261.A N GLY 258.A O no hydrogen 3.151 N/A GLY 262.A N LEU 277.A O no hydrogen 2.881 N/A ILE 263.A N SER 242.A O no hydrogen 3.104 N/A GLY 264.A N ILE 279.A O no hydrogen 2.675 N/A LEU 267.A N SER 250.A O no hydrogen 3.019 N/A ARG 270.A N GLU 253.A O no hydrogen 2.746 N/A ARG 270.A NH1 ASP 308.A OD1 no hydrogen 2.687 N/A ILE 272.A N LEU 309.A O no hydrogen 2.803 N/A VAL 273.A N LEU 256.A O no hydrogen 2.946 N/A GLU 274.A N PHE 311.A O no hydrogen 3.026 N/A GLY 276.A N ALA 259.A O no hydrogen 2.894 N/A LEU 277.A N GLU 274.A O no hydrogen 3.080 N/A TYR 278.A OH SER 242.A OG no hydrogen 2.692 N/A ILE 279.A N GLY 262.A O no hydrogen 2.753 N/A THR 280.A N THR 283.A OG1 no hydrogen 3.043 N/A THR 283.A N THR 280.A O no hydrogen 3.069 N/A THR 283.A OG1 THR 280.A O no hydrogen 3.205 N/A VAL 285.A N VAL 298.A O no hydrogen 2.727 N/A ALA 286.A N VAL 320.A O no hydrogen 2.823 N/A LEU 287.A N LYS 296.A O no hydrogen 3.324 N/A LEU 288.A N CYS 322.A O no hydrogen 2.903 N/A ASP 289.A N ALA 293.A O no hydrogen 3.044 N/A GLU 290.A N LYS 326.A O no hydrogen 3.226 N/A ASN 292.A N ASP 289.A O no hydrogen 2.945 N/A ALA 293.A N ASP 289.A OD1 no hydrogen 2.884 N/A VAL 295.A N LEU 287.A O no hydrogen 2.970 N/A VAL 298.A N VAL 285.A O no hydrogen 2.991 N/A ALA 300.A N THR 283.A O no hydrogen 2.779 N/A ARG 301.A N ALA 281.A O no hydrogen 2.959 N/A ASP 302.A N LYS 299.A O no hydrogen 2.667 N/A LEU 303.A N ALA 300.A O no hydrogen 2.875 N/A ALA 304.A N ARG 301.A O no hydrogen 3.296 N/A GLY 305.A N PRO 266.A O no hydrogen 3.190 N/A GLN 306.A N LEU 303.A O no hydrogen 3.261 N/A GLN 306.A NE2 ALA 334.A O no hydrogen 2.907 N/A ASP 308.A N ASP 269.A O no hydrogen 2.892 N/A LEU 309.A N ASN 271.A OD1 no hydrogen 3.356 N/A LEU 310.A N LYS 323.A O no hydrogen 2.991 N/A PHE 311.A N ILE 272.A O no hydrogen 2.707 N/A ARG 312.A N GLU 321.A O no hydrogen 2.987 N/A ARG 312.A NH1 GLU 321.A OE1 no hydrogen 2.780 N/A ARG 313.A N GLU 274.A OE1 no hydrogen 2.939 N/A ASN 314.A N ALA 319.A O no hydrogen 2.804 N/A GLY 318.A N ASN 314.A O no hydrogen 3.098 N/A ALA 319.A N ASN 317.A OD1 no hydrogen 2.847 N/A GLU 321.A N ARG 312.A O no hydrogen 2.791 N/A CYS 322.A N ALA 286.A O no hydrogen 2.754 N/A CYS 322.A SG LEU 310.A O no hydrogen 3.855 N/A LYS 323.A N LEU 310.A O no hydrogen 2.714 N/A THR 324.A N LEU 288.A O no hydrogen 3.240 N/A THR 324.A OG1 LEU 288.A O no hydrogen 2.822 N/A LYS 326.A N THR 324.A OG1 no hydrogen 3.267 N/A GLU 330.A N THR 327.A OG1 no hydrogen 3.351 N/A LEU 331.A N THR 327.A O no hydrogen 3.001 N/A ASN 332.A N ALA 328.A O no hydrogen 3.056 N/A GLU 333.A N ILE 329.A O no hydrogen 3.180 N/A ALA 334.A N GLU 330.A O no hydrogen 2.935 N/A LEU 335.A N LEU 331.A O no hydrogen 2.903 N/A HIS 336.A N ASN 332.A O no hydrogen 3.052 N/A ALA 337.A N GLU 333.A O no hydrogen 3.052 N/A