Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2c3e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N GLN 3.A O no hydrogen 2.853 N/A LEU 12.A N LEU 8.A O no hydrogen 3.041 N/A ALA 13.A N LYS 9.A O no hydrogen 2.952 N/A GLY 14.A N ASP 10.A O no hydrogen 2.496 N/A GLY 15.A N PHE 11.A O no hydrogen 2.980 N/A GLY 15.A N LEU 12.A O no hydrogen 3.039 N/A VAL 16.A N LEU 12.A O no hydrogen 2.724 N/A ALA 17.A N ALA 13.A O no hydrogen 2.694 N/A ALA 18.A N GLY 14.A O no hydrogen 3.185 N/A ALA 19.A N GLY 15.A O no hydrogen 2.978 N/A ILE 20.A N VAL 16.A O no hydrogen 3.219 N/A SER 21.A N ALA 17.A O no hydrogen 3.187 N/A SER 21.A OG ALA 18.A O no hydrogen 3.280 N/A LYS 22.A N ALA 18.A O no hydrogen 3.134 N/A THR 23.A N ALA 19.A O no hydrogen 3.048 N/A THR 23.A OG1 ALA 19.A O no hydrogen 2.631 N/A THR 23.A OG1 ASN 73.A OD1 no hydrogen 3.125 N/A ALA 24.A N ILE 20.A O no hydrogen 2.951 N/A VAL 25.A N SER 21.A O no hydrogen 3.129 N/A ALA 26.A N THR 23.A O no hydrogen 3.344 N/A GLU 29.A N VAL 25.A O no hydrogen 2.887 N/A ARG 30.A N ALA 26.A O no hydrogen 2.930 N/A ARG 30.A NE ALA 141.A O no hydrogen 2.857 N/A ARG 30.A NH2 ALA 141.A O no hydrogen 3.109 N/A VAL 31.A N PRO 27.A O no hydrogen 3.356 N/A LYS 32.A N ILE 28.A O no hydrogen 2.939 N/A LYS 32.A NZ ASP 231.A OD2 no hydrogen 2.901 N/A LEU 33.A N GLU 29.A O no hydrogen 3.185 N/A LEU 34.A N ARG 30.A O no hydrogen 2.934 N/A LEU 35.A N VAL 31.A O no hydrogen 3.024 N/A GLN 36.A N LYS 32.A O no hydrogen 2.980 N/A VAL 37.A N LEU 33.A O no hydrogen 2.751 N/A GLN 38.A N LEU 34.A O no hydrogen 2.727 N/A ALA 40.A N VAL 37.A O no hydrogen 3.186 N/A GLN 43.A N SER 41.A OG no hydrogen 3.238 N/A GLN 43.A NE2 ALA 142.A O no hydrogen 3.544 N/A ILE 44.A N SER 41.A OG no hydrogen 3.420 N/A SER 45.A OG GLU 47.A OE2 no hydrogen 3.149 N/A GLU 47.A N GLU 47.A OE2 no hydrogen 2.620 N/A TYR 50.A OH GLU 63.A OE2 no hydrogen 2.735 N/A CYS 56.A N GLY 52.A O no hydrogen 3.096 N/A VAL 57.A N ILE 53.A O no hydrogen 2.849 N/A VAL 58.A N ILE 54.A O no hydrogen 2.883 N/A ARG 59.A N CYS 56.A O no hydrogen 3.122 N/A ARG 59.A NE GLU 63.A OE1 no hydrogen 2.946 N/A ARG 59.A NH1 LYS 48.A O no hydrogen 3.291 N/A ARG 59.A NH1 ASP 55.A OD1 no hydrogen 3.151 N/A ARG 59.A NH2 LYS 48.A O no hydrogen 2.968 N/A ARG 59.A NH2 GLU 63.A OE1 no hydrogen 2.605 N/A ILE 60.A N CYS 56.A O no hydrogen 2.762 N/A GLU 63.A N ARG 59.A O no hydrogen 2.926 N/A GLN 64.A N ILE 60.A O no hydrogen 2.896 N/A GLN 64.A NE2 ASP 143.A O no hydrogen 3.446 N/A GLY 65.A N PRO 61.A O no hydrogen 2.896 N/A SER 68.A N GLY 65.A O no hydrogen 2.936 N/A SER 68.A OG GLY 65.A O no hydrogen 2.465 N/A PHE 69.A N PHE 66.A O no hydrogen 3.415 N/A TRP 70.A N LEU 67.A O no hydrogen 3.034 N/A TRP 70.A NE1 THR 23.A O no hydrogen 2.826 N/A ARG 71.A N SER 68.A O no hydrogen 2.901 N/A ARG 71.A NH1 ASP 143.A O no hydrogen 2.889 N/A ARG 71.A NH1 GLY 145.A O no hydrogen 2.851 N/A ASN 73.A N TRP 70.A O no hydrogen 2.983 N/A ASN 76.A N ASN 73.A O no hydrogen 2.522 N/A ASN 76.A ND2 GLU 29.A OE1 no hydrogen 3.275 N/A ASN 76.A ND2 GLU 29.A OE2 no hydrogen 3.226 N/A VAL 77.A N ASN 73.A O no hydrogen 3.425 N/A ILE 78.A N LEU 74.A O no hydrogen 3.145 N/A ARG 79.A N ALA 75.A O no hydrogen 3.012 N/A TYR 80.A OH PHE 11.A O no hydrogen 3.004 N/A PHE 81.A N ILE 78.A O no hydrogen 3.116 N/A THR 83.A N ARG 79.A O no hydrogen 3.063 N/A THR 83.A OG1 ARG 79.A O no hydrogen 2.814 N/A GLN 84.A N TYR 80.A O no hydrogen 2.919 N/A ALA 85.A N PHE 81.A O no hydrogen 3.139 N/A LEU 86.A N PRO 82.A O no hydrogen 3.445 N/A ASN 87.A N THR 83.A O no hydrogen 3.202 N/A ASN 87.A N GLN 84.A O no hydrogen 3.005 N/A PHE 88.A N GLN 84.A O no hydrogen 3.229 N/A ALA 89.A N ALA 85.A O no hydrogen 3.301 N/A PHE 90.A N LEU 86.A O no hydrogen 3.024 N/A PHE 90.A N ASN 87.A O no hydrogen 3.077 N/A LYS 91.A N ASN 87.A O no hydrogen 3.127 N/A TYR 94.A N PHE 90.A O no hydrogen 2.935 N/A TYR 94.A OH THR 125.A OG1 no hydrogen 2.943 N/A LYS 95.A N LYS 91.A O no hydrogen 3.032 N/A GLN 96.A N ASP 92.A O no hydrogen 3.117 N/A ILE 97.A N LYS 93.A O no hydrogen 3.106 N/A PHE 98.A N TYR 94.A O no hydrogen 3.036 N/A LEU 99.A N LYS 95.A O no hydrogen 2.508 N/A VAL 102.A N LEU 99.A O no hydrogen 3.275 N/A ASP 103.A N GLN 107.A OE1 no hydrogen 3.347 N/A HIS 105.A N ASP 103.A OD1 no hydrogen 3.053 N/A LYS 106.A N ASP 103.A O no hydrogen 2.939 N/A ARG 110.A NH1 PHE 98.A O no hydrogen 2.850 N/A ARG 110.A NH1 ARG 110.A O no hydrogen 2.767 N/A ARG 110.A NH2 PHE 98.A O no hydrogen 2.899 N/A TYR 111.A N GLN 107.A O no hydrogen 3.132 N/A TYR 111.A N PHE 108.A O no hydrogen 3.275 N/A PHE 112.A N PHE 108.A O no hydrogen 2.933 N/A ALA 113.A N TRP 109.A O no hydrogen 2.976 N/A GLY 114.A N ARG 110.A O no hydrogen 3.184 N/A ASN 115.A N TYR 111.A O no hydrogen 3.020 N/A LEU 116.A N PHE 112.A O no hydrogen 3.035 N/A ALA 117.A N ALA 113.A O no hydrogen 2.995 N/A SER 118.A N GLY 114.A O no hydrogen 2.770 N/A GLY 119.A N ASN 115.A O no hydrogen 2.961 N/A GLY 120.A N LEU 116.A O no hydrogen 2.470 N/A ALA 121.A N ALA 117.A O no hydrogen 2.707 N/A ALA 122.A N SER 118.A O no hydrogen 3.334 N/A GLY 123.A N GLY 119.A O no hydrogen 2.974 N/A ALA 124.A N GLY 120.A O no hydrogen 3.043 N/A THR 125.A N ALA 121.A O no hydrogen 3.001 N/A THR 125.A OG1 TYR 94.A OH no hydrogen 2.943 N/A THR 125.A OG1 ALA 121.A O no hydrogen 2.979 N/A SER 126.A N ALA 122.A O no hydrogen 3.024 N/A SER 126.A OG ALA 122.A O no hydrogen 3.507 N/A SER 126.A OG GLY 123.A O no hydrogen 2.606 N/A LEU 127.A N GLY 123.A O no hydrogen 2.860 N/A CYS 128.A N ALA 124.A O no hydrogen 3.015 N/A PHE 129.A N SER 126.A O no hydrogen 2.832 N/A VAL 130.A N SER 126.A O no hydrogen 3.107 N/A TYR 131.A N LEU 127.A O no hydrogen 2.670 N/A TYR 131.A OH GLN 174.A O no hydrogen 2.748 N/A LEU 133.A N VAL 130.A O no hydrogen 2.719 N/A PHE 135.A N TYR 131.A O no hydrogen 2.984 N/A ALA 136.A N PRO 132.A O no hydrogen 2.796 N/A ARG 137.A N LEU 133.A O no hydrogen 2.760 N/A ARG 137.A NE GLU 29.A OE2 no hydrogen 2.784 N/A ARG 137.A NH1 ARG 71.A O no hydrogen 3.151 N/A ARG 137.A NH1 ARG 137.A O no hydrogen 3.051 N/A ARG 137.A NH2 GLU 29.A OE2 no hydrogen 3.381 N/A THR 138.A N ASP 134.A O no hydrogen 2.813 N/A THR 138.A OG1 ASP 134.A O no hydrogen 2.770 N/A ARG 139.A N PHE 135.A O no hydrogen 2.778 N/A ARG 139.A NH1 SER 241.A O no hydrogen 3.226 N/A LEU 140.A N ALA 136.A O no hydrogen 2.818 N/A ALA 141.A N ARG 137.A O no hydrogen 3.157 N/A ALA 142.A N THR 138.A O no hydrogen 3.320 N/A ASP 143.A N LEU 140.A O no hydrogen 2.842 N/A GLN 150.A N GLY 147.A O no hydrogen 2.593 N/A GLU 152.A N ASP 143.A OD1 no hydrogen 3.126 N/A PHE 153.A N ASP 143.A OD2 no hydrogen 3.200 N/A CYS 159.A N GLY 155.A O no hydrogen 2.726 N/A ILE 160.A N LEU 156.A O no hydrogen 2.892 N/A THR 161.A N GLY 157.A O no hydrogen 3.112 N/A THR 161.A OG1 GLY 157.A O no hydrogen 3.290 N/A THR 161.A OG1 ASN 158.A O no hydrogen 2.957 N/A LYS 162.A N ASN 158.A O no hydrogen 2.612 N/A LYS 162.A NZ GLU 152.A O no hydrogen 2.429 N/A ILE 163.A N CYS 159.A O no hydrogen 3.288 N/A PHE 164.A N ILE 160.A O no hydrogen 3.141 N/A LYS 165.A N THR 161.A O no hydrogen 3.004 N/A SER 166.A N ILE 163.A O no hydrogen 2.937 N/A ASP 167.A N ILE 163.A O no hydrogen 2.580 N/A GLY 168.A N PHE 164.A O no hydrogen 2.510 N/A GLY 171.A N ASP 167.A O no hydrogen 3.263 N/A TYR 173.A N ARG 170.A O no hydrogen 3.407 N/A TYR 173.A OH CYS 128.A O no hydrogen 2.728 N/A GLN 174.A N GLY 171.A O no hydrogen 3.123 N/A PHE 176.A N TYR 173.A O no hydrogen 3.261 N/A SER 179.A N GLY 175.A O no hydrogen 2.940 N/A SER 179.A N PHE 176.A O no hydrogen 2.983 N/A SER 179.A OG PHE 176.A O no hydrogen 2.721 N/A VAL 180.A N PHE 176.A O no hydrogen 3.006 N/A VAL 180.A N ASN 177.A O no hydrogen 2.631 N/A GLN 181.A N ASN 177.A O no hydrogen 3.018 N/A GLY 182.A N VAL 178.A O no hydrogen 2.856 N/A ILE 183.A N SER 179.A O no hydrogen 3.042 N/A ILE 185.A N GLN 181.A O no hydrogen 3.058 N/A TYR 186.A N GLY 182.A O no hydrogen 2.823 N/A ARG 187.A N ILE 183.A O no hydrogen 3.014 N/A ARG 187.A NE ASN 115.A O no hydrogen 2.953 N/A ARG 187.A NH2 ASN 115.A OD1 no hydrogen 3.064 N/A ALA 188.A N ILE 184.A O no hydrogen 2.891 N/A ALA 189.A N ILE 185.A O no hydrogen 2.992 N/A TYR 190.A N TYR 186.A O no hydrogen 2.732 N/A PHE 191.A N ARG 187.A O no hydrogen 3.026 N/A GLY 192.A N ALA 188.A O no hydrogen 2.685 N/A VAL 193.A N ALA 189.A O no hydrogen 2.777 N/A TYR 194.A N TYR 190.A O no hydrogen 3.223 N/A TYR 194.A N PHE 191.A O no hydrogen 2.799 N/A ASP 195.A N PHE 191.A O no hydrogen 2.947 N/A THR 196.A N GLY 192.A O no hydrogen 3.397 N/A THR 196.A OG1 GLY 192.A O no hydrogen 3.478 N/A THR 196.A OG1 VAL 193.A O no hydrogen 3.329 N/A ALA 197.A N VAL 193.A O no hydrogen 3.125 N/A LYS 198.A N TYR 194.A O no hydrogen 3.035 N/A MET 200.A N THR 196.A O no hydrogen 3.404 N/A SER 212.A OG VAL 207.A O no hydrogen 3.072 N/A TRP 213.A N ILE 209.A O no hydrogen 3.248 N/A TRP 213.A N ILE 210.A O no hydrogen 3.142 N/A MET 214.A N ILE 210.A O no hydrogen 3.154 N/A ILE 215.A N VAL 211.A O no hydrogen 3.092 N/A ALA 216.A N SER 212.A O no hydrogen 3.147 N/A GLN 217.A N TRP 213.A O no hydrogen 2.864 N/A THR 218.A N MET 214.A O no hydrogen 2.963 N/A THR 218.A OG1 MET 214.A O no hydrogen 2.450 N/A VAL 219.A N ILE 215.A O no hydrogen 2.834 N/A THR 220.A N ALA 216.A O no hydrogen 2.917 N/A THR 220.A OG1 ALA 216.A O no hydrogen 3.334 N/A ALA 221.A N GLN 217.A O no hydrogen 2.813 N/A VAL 222.A N THR 218.A O no hydrogen 2.933 N/A ALA 223.A N VAL 219.A O no hydrogen 3.232 N/A GLY 224.A N THR 220.A O no hydrogen 2.965 N/A LEU 225.A N ALA 221.A O no hydrogen 2.959 N/A LEU 225.A N VAL 222.A O no hydrogen 2.929 N/A VAL 226.A N VAL 222.A O no hydrogen 3.037 N/A SER 227.A N ALA 223.A O no hydrogen 3.402 N/A SER 227.A OG ALA 223.A O no hydrogen 2.999 N/A TYR 228.A N LEU 225.A O no hydrogen 3.423 N/A TYR 228.A OH LYS 271.A O no hydrogen 2.871 N/A ASP 231.A N SER 227.A O no hydrogen 3.372 N/A THR 232.A N TYR 228.A O no hydrogen 2.858 N/A THR 232.A OG1 TYR 228.A O no hydrogen 3.096 N/A THR 232.A OG1 PHE 269.A O no hydrogen 2.315 N/A VAL 233.A N PRO 229.A O no hydrogen 3.050 N/A ARG 234.A N PHE 230.A O no hydrogen 3.040 N/A ARG 234.A NE TYR 131.A OH no hydrogen 3.426 N/A ARG 235.A N ASP 231.A O no hydrogen 2.935 N/A ARG 235.A NE ASP 231.A OD1 no hydrogen 2.834 N/A ARG 235.A NH2 ASP 231.A OD1 no hydrogen 3.149 N/A ARG 236.A N THR 232.A O no hydrogen 3.080 N/A ARG 236.A NE GLN 36.A O no hydrogen 3.113 N/A ARG 236.A NH1 GLU 264.A OE1 no hydrogen 3.390 N/A ARG 236.A NH2 GLU 264.A OE1 no hydrogen 2.922 N/A MET 237.A N VAL 233.A O no hydrogen 3.061 N/A MET 237.A N ARG 234.A O no hydrogen 3.244 N/A MET 238.A N ARG 234.A O no hydrogen 3.192 N/A MET 239.A N ARG 235.A O no hydrogen 3.068 N/A GLN 240.A N MET 237.A O no hydrogen 3.100 N/A SER 241.A OG GLY 171.A O no hydrogen 2.447 N/A ARG 243.A N GLN 240.A O no hydrogen 2.847 N/A ARG 243.A NH1 ALA 40.A O no hydrogen 2.754 N/A LYS 244.A N GLY 242.A O no hydrogen 2.842 N/A ILE 248.A N GLY 245.A O no hydrogen 3.523 N/A TYR 250.A N GLN 240.A OE1 no hydrogen 3.211 N/A THR 251.A N ASP 255.A OD2 no hydrogen 2.736 N/A CYS 256.A N GLY 252.A O no hydrogen 2.782 N/A CYS 256.A N THR 253.A O no hydrogen 2.837 N/A CYS 256.A SG VAL 233.A O no hydrogen 3.890 N/A TRP 257.A N THR 253.A O no hydrogen 2.933 N/A ARG 258.A N VAL 254.A O no hydrogen 2.982 N/A LYS 259.A N ASP 255.A O no hydrogen 3.067 N/A LYS 259.A NZ MET 249.A O no hydrogen 2.780 N/A LYS 259.A NZ ASP 255.A OD2 no hydrogen 3.536 N/A ILE 260.A N CYS 256.A O no hydrogen 3.168 N/A ALA 261.A N TRP 257.A O no hydrogen 3.376 N/A LYS 262.A N ARG 258.A O no hydrogen 3.153 N/A ASP 263.A N LYS 259.A O no hydrogen 2.672 N/A GLU 264.A N ILE 260.A O no hydrogen 2.604 N/A PHE 270.A N LYS 267.A O no hydrogen 2.455 N/A LYS 271.A N ALA 268.A O no hydrogen 2.963 N/A LYS 271.A NZ GLU 264.A OE1 no hydrogen 2.876 N/A ALA 273.A N PHE 270.A O no hydrogen 3.222 N/A ASN 276.A N GLY 272.A O no hydrogen 2.821 N/A VAL 277.A N TRP 274.A O no hydrogen 2.920 N/A LEU 278.A N TRP 274.A O no hydrogen 3.067 N/A ARG 279.A N SER 275.A O no hydrogen 2.968 N/A ARG 279.A NH2 ASN 276.A OD1 no hydrogen 2.826 N/A GLY 280.A N ASN 276.A O no hydrogen 3.323 N/A MET 281.A N VAL 277.A O no hydrogen 3.075 N/A GLY 282.A N LEU 278.A O no hydrogen 2.728 N/A GLY 283.A N ARG 279.A O no hydrogen 2.944 N/A ALA 284.A N GLY 280.A O no hydrogen 3.141 N/A PHE 285.A N MET 281.A O no hydrogen 2.849 N/A VAL 286.A N GLY 282.A O no hydrogen 2.852 N/A LEU 287.A N GLY 283.A O no hydrogen 3.057 N/A VAL 288.A N PHE 285.A O no hydrogen 2.966 N/A LEU 289.A N PHE 285.A O no hydrogen 3.284 N/A TYR 290.A N VAL 286.A O no hydrogen 2.853 N/A ASP 291.A N VAL 288.A O no hydrogen 3.254 N/A GLU 292.A N TYR 290.A O no hydrogen 2.361 N/A