Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3c2e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 5.A N VAL 2.A O no hydrogen 2.890 N/A LEU 6.A N TYR 3.A O no hydrogen 2.862 N/A LEU 7.A N GLU 4.A O no hydrogen 3.091 N/A TRP 13.A NE1 PRO 8.A O no hydrogen 2.869 N/A ARG 14.A N GLY 11.A O no hydrogen 3.148 N/A ARG 14.A NE GLU 60.A OE2 no hydrogen 3.023 N/A ARG 14.A NH1 VAL 9.A O no hydrogen 2.975 N/A GLN 15.A NE2 ASN 19.A OD1 no hydrogen 2.971 N/A ASP 16.A N ALA 12.A O no hydrogen 3.007 N/A VAL 17.A N TRP 13.A O no hydrogen 3.399 N/A THR 18.A N ARG 14.A O no hydrogen 3.279 N/A THR 18.A OG1 ARG 14.A O no hydrogen 3.357 N/A ASN 19.A N GLN 15.A O no hydrogen 2.899 N/A TRP 20.A N ASP 16.A O no hydrogen 2.872 N/A LEU 21.A N VAL 17.A O no hydrogen 3.006 N/A SER 22.A N THR 18.A O no hydrogen 3.023 N/A SER 22.A OG THR 18.A O no hydrogen 3.391 N/A GLU 23.A N ASN 19.A O no hydrogen 2.985 N/A ASP 24.A N LEU 21.A O no hydrogen 3.066 N/A VAL 25.A N LEU 21.A O no hydrogen 3.244 N/A VAL 25.A N SER 22.A O no hydrogen 3.137 N/A GLY 32.A N ASP 29.A O no hydrogen 3.117 N/A GLY 32.A N ASP 29.A OD1 no hydrogen 3.141 N/A TYR 33.A N ASP 29.A O no hydrogen 3.261 N/A VAL 34.A N PHE 30.A O no hydrogen 3.248 N/A VAL 35.A N GLY 31.A O no hydrogen 2.989 N/A GLY 36.A N GLY 32.A O no hydrogen 3.049 N/A LYS 40.A N GLY 96.A O no hydrogen 2.812 N/A ALA 42.A N ILE 94.A O no hydrogen 2.778 N/A ASN 43.A N LYS 264.A O no hydrogen 3.167 N/A ASN 43.A ND2 TYR 45.A OH no hydrogen 3.243 N/A LEU 44.A N ALA 92.A O no hydrogen 2.794 N/A TYR 45.A N SER 262.A O no hydrogen 2.688 N/A CYS 46.A N ILE 89.A O no hydrogen 2.731 N/A CYS 46.A SG GLN 48.A O no hydrogen 3.056 N/A LYS 47.A N ASP 260.A O no hydrogen 2.634 N/A GLY 50.A N LEU 79.A O no hydrogen 2.965 N/A MET 51.A N THR 120.A OG1 no hydrogen 2.786 N/A LEU 52.A N SER 77.A O no hydrogen 3.005 N/A CYS 53.A N SER 116.A OG no hydrogen 2.961 N/A CYS 53.A SG SER 115.A OG no hydrogen 3.159 N/A CYS 53.A SG SER 155.A OG no hydrogen 3.768 N/A GLY 54.A N GLU 75.A OE2 no hydrogen 2.894 N/A VAL 55.A N GLU 75.A OE2 no hydrogen 3.022 N/A ALA 58.A N GLY 54.A O no hydrogen 2.914 N/A GLN 59.A N VAL 55.A O no hydrogen 2.666 N/A GLN 59.A NE2 ASN 63.A OD1 no hydrogen 2.630 N/A GLU 60.A N PRO 56.A O no hydrogen 3.032 N/A VAL 61.A N PHE 57.A O no hydrogen 3.235 N/A PHE 62.A N ALA 58.A O no hydrogen 3.037 N/A ASN 63.A N GLN 59.A O no hydrogen 2.810 N/A ASN 63.A ND2 GLU 60.A OE1 no hydrogen 3.377 N/A GLN 64.A N GLU 60.A O no hydrogen 2.947 N/A GLN 64.A NE2 THR 18.A OG1 no hydrogen 2.778 N/A CYS 65.A N VAL 61.A O no hydrogen 2.934 N/A CYS 65.A SG VAL 61.A O no hydrogen 3.429 N/A GLU 66.A N ASN 63.A O no hydrogen 2.790 N/A LEU 67.A N PHE 62.A O no hydrogen 2.903 N/A GLN 68.A N THR 95.A O no hydrogen 2.877 N/A GLU 70.A N LYS 93.A O no hydrogen 2.940 N/A TRP 71.A NE1 GLN 59.A OE1 no hydrogen 2.919 N/A LEU 72.A N VAL 91.A O no hydrogen 2.740 N/A GLY 76.A N LEU 52.A O no hydrogen 2.716 N/A SER 77.A N LYS 74.A O no hydrogen 3.023 N/A SER 77.A OG LYS 74.A O no hydrogen 2.605 N/A LEU 79.A N GLY 50.A O no hydrogen 2.755 N/A SER 82.A N ASP 49.A OD1 no hydrogen 3.214 N/A SER 82.A OG ASP 49.A OD1 no hydrogen 3.340 N/A SER 82.A OG ASP 49.A OD2 no hydrogen 2.901 N/A LYS 83.A N GLU 80.A O no hydrogen 3.073 N/A LYS 83.A NZ GLU 80.A OE1 no hydrogen 3.071 N/A ASN 84.A N PRO 81.A O no hydrogen 2.830 N/A ASN 84.A ND2 LYS 83.A O no hydrogen 2.953 N/A SER 86.A N ASP 85.A OD2 no hydrogen 2.312 N/A SER 86.A OG ASP 85.A OD2 no hydrogen 3.068 N/A SER 86.A OG LYS 88.A O no hydrogen 3.311 N/A LYS 88.A N SER 86.A OG no hydrogen 3.394 N/A ILE 89.A N CYS 46.A O no hydrogen 3.096 N/A VAL 91.A N LEU 44.A O no hydrogen 2.930 N/A LYS 93.A N GLU 70.A O no hydrogen 2.973 N/A LYS 93.A NZ GLU 70.A OE1 no hydrogen 3.159 N/A ILE 94.A N ALA 42.A O no hydrogen 2.672 N/A THR 95.A N GLN 68.A O no hydrogen 2.900 N/A THR 95.A OG1 GLN 68.A O no hydrogen 3.558 N/A GLY 96.A N LYS 40.A O no hydrogen 3.193 N/A ALA 98.A N ASP 38.A O no hydrogen 2.837 N/A LYS 99.A N GLY 36.A O no hydrogen 2.930 N/A LYS 99.A NZ ASN 100.A OD1 no hydrogen 2.725 N/A ASN 100.A ND2 CYS 65.A O no hydrogen 3.009 N/A ILE 101.A N PRO 97.A O no hydrogen 3.072 N/A LEU 102.A N ALA 98.A O no hydrogen 3.056 N/A LEU 103.A N LYS 99.A O no hydrogen 2.939 N/A LEU 103.A N ASN 100.A O no hydrogen 3.129 N/A ALA 104.A N ASN 100.A O no hydrogen 3.021 N/A GLU 105.A N ILE 101.A O no hydrogen 2.984 N/A ALA 108.A N ALA 104.A O no hydrogen 2.989 N/A LEU 109.A N GLU 105.A O no hydrogen 3.289 N/A ASN 110.A N ARG 106.A O no hydrogen 2.894 N/A ILE 111.A N THR 107.A O no hydrogen 3.134 N/A ILE 111.A N ALA 108.A O no hydrogen 3.243 N/A LEU 112.A N ALA 108.A O no hydrogen 3.054 N/A SER 113.A N LEU 109.A O no hydrogen 2.907 N/A SER 113.A OG LEU 109.A O no hydrogen 3.025 N/A SER 113.A OG ASN 110.A O no hydrogen 3.328 N/A ARG 114.A NH1 ASN 110.A O no hydrogen 3.405 N/A SER 115.A N ILE 111.A O no hydrogen 2.782 N/A SER 115.A OG SER 155.A OG no hydrogen 2.645 N/A SER 116.A N LEU 112.A O no hydrogen 2.828 N/A SER 116.A OG CYS 53.A O no hydrogen 3.270 N/A SER 116.A OG LEU 112.A O no hydrogen 2.907 N/A GLY 117.A N SER 113.A O no hydrogen 3.058 N/A ILE 118.A N ARG 114.A O no hydrogen 3.052 N/A ALA 119.A N SER 115.A O no hydrogen 2.969 N/A THR 120.A N SER 116.A O no hydrogen 2.714 N/A THR 120.A OG1 SER 116.A O no hydrogen 2.802 N/A ALA 121.A N GLY 117.A O no hydrogen 2.910 N/A SER 122.A N ILE 118.A O no hydrogen 2.752 N/A SER 122.A OG ILE 118.A O no hydrogen 2.841 N/A SER 122.A OG ILE 252.A O no hydrogen 3.219 N/A HIS 123.A N ALA 119.A O no hydrogen 2.713 N/A LYS 124.A N THR 120.A O no hydrogen 2.975 N/A ILE 125.A N ALA 121.A O no hydrogen 3.134 N/A ILE 126.A N SER 122.A O no hydrogen 3.089 N/A SER 127.A N HIS 123.A O no hydrogen 2.955 N/A SER 127.A OG HIS 123.A O no hydrogen 2.790 N/A SER 127.A OG LYS 124.A O no hydrogen 3.091 N/A LEU 128.A N LYS 124.A O no hydrogen 3.062 N/A ALA 129.A N ILE 125.A O no hydrogen 2.997 N/A ARG 130.A N ILE 126.A O no hydrogen 2.715 N/A SER 131.A N SER 127.A O no hydrogen 2.963 N/A SER 131.A N LEU 128.A O no hydrogen 3.086 N/A SER 131.A OG LEU 128.A O no hydrogen 2.540 N/A THR 132.A N ALA 129.A O no hydrogen 3.310 N/A THR 132.A OG1 ALA 129.A O no hydrogen 3.007 N/A GLY 133.A N ARG 130.A O no hydrogen 3.052 N/A TYR 134.A OH ILE 244.A O no hydrogen 2.993 N/A LYS 135.A NZ GLY 133.A O no hydrogen 3.543 N/A THR 137.A N ASP 245.A O no hydrogen 2.855 N/A THR 137.A OG1 ILE 138.A O no hydrogen 3.465 N/A ALA 139.A N TYR 247.A O no hydrogen 2.799 N/A GLY 140.A N ASP 162.A O no hydrogen 2.960 N/A THR 141.A OG1 HIS 253.A NE2 no hydrogen 2.877 N/A LYS 143.A N THR 141.A OG1 no hydrogen 3.127 N/A THR 145.A N GLU 152.A OE1 no hydrogen 2.764 N/A THR 145.A OG1 GLU 152.A OE2 no hydrogen 3.106 N/A LEU 148.A N THR 145.A O no hydrogen 2.858 N/A ARG 149.A NE THR 144.A OG1 no hydrogen 2.998 N/A ARG 149.A NH2 ARG 142.A O no hydrogen 2.989 N/A ARG 149.A NH2 THR 144.A OG1 no hydrogen 3.312 N/A GLU 152.A N LEU 148.A O no hydrogen 3.062 N/A LYS 153.A N ARG 149.A O no hydrogen 2.984 N/A LYS 153.A NZ THR 141.A O no hydrogen 2.666 N/A LYS 153.A NZ THR 163.A O no hydrogen 3.012 N/A LYS 153.A NZ ARG 165.A O no hydrogen 3.237 N/A TYR 154.A N ARG 150.A O no hydrogen 3.026 N/A TYR 154.A OH GLU 75.A OE1 no hydrogen 2.496 N/A SER 155.A N LEU 151.A O no hydrogen 2.993 N/A SER 155.A OG SER 115.A O no hydrogen 3.457 N/A SER 155.A OG SER 115.A OG no hydrogen 2.645 N/A SER 155.A OG LEU 151.A O no hydrogen 2.864 N/A MET 156.A N GLU 152.A O no hydrogen 3.013 N/A LEU 157.A N LYS 153.A O no hydrogen 3.078 N/A VAL 158.A N TYR 154.A O no hydrogen 3.054 N/A GLY 159.A N SER 155.A O no hydrogen 2.911 N/A GLY 160.A N LEU 157.A O no hydrogen 2.832 N/A CYS 161.A N MET 156.A O no hydrogen 3.083 N/A CYS 161.A SG SER 122.A O no hydrogen 3.310 N/A ASP 162.A N ILE 138.A O no hydrogen 2.942 N/A HIS 164.A N ASP 162.A OD1 no hydrogen 2.697 N/A ARG 165.A NE MET 171.A O no hydrogen 3.201 N/A ARG 165.A NH2 MET 171.A O no hydrogen 3.112 N/A SER 169.A N ASP 167.A OD1 no hydrogen 2.793 N/A SER 170.A N ASP 167.A O no hydrogen 3.394 N/A SER 170.A OG ASP 167.A OD1 no hydrogen 3.173 N/A VAL 172.A N LYS 201.A O no hydrogen 2.960 N/A LEU 174.A N GLU 203.A O no hydrogen 2.761 N/A LYS 175.A N HIS 178.A ND1 no hydrogen 3.026 N/A ASN 177.A N ASP 176.A OD1 no hydrogen 2.641 N/A ILE 179.A N LYS 175.A O no hydrogen 2.857 N/A TRP 180.A N ASP 176.A O no hydrogen 3.072 N/A THR 182.A N HIS 178.A O no hydrogen 3.332 N/A THR 182.A OG1 HIS 178.A O no hydrogen 3.380 N/A THR 182.A OG1 ILE 179.A O no hydrogen 3.104 N/A THR 182.A OG1 SER 184.A O no hydrogen 3.208 N/A GLY 183.A N ILE 179.A O no hydrogen 2.972 N/A THR 186.A N GLU 214.A OE2 no hydrogen 3.274 N/A THR 186.A OG1 GLU 214.A OE2 no hydrogen 2.636 N/A ASN 187.A N SER 184.A OG no hydrogen 3.083 N/A ALA 188.A N SER 184.A O no hydrogen 2.728 N/A VAL 189.A N ILE 185.A O no hydrogen 2.816 N/A LYS 190.A N THR 186.A O no hydrogen 2.984 N/A ASN 191.A N ASN 187.A O no hydrogen 2.937 N/A ALA 192.A N ALA 188.A O no hydrogen 2.957 N/A ARG 193.A N VAL 189.A O no hydrogen 2.738 N/A ARG 193.A NH1 GLY 197.A O no hydrogen 2.856 N/A ARG 193.A NH1 VAL 200.A O no hydrogen 2.953 N/A ARG 193.A NH2 GLY 219.A O no hydrogen 3.411 N/A ARG 193.A NH2 ASP 221.A OD2 no hydrogen 2.815 N/A ALA 194.A N LYS 190.A O no hydrogen 2.690 N/A VAL 195.A N ALA 192.A O no hydrogen 3.216 N/A CYS 196.A N ALA 192.A O no hydrogen 2.960 N/A CYS 196.A SG ALA 192.A O no hydrogen 3.217 N/A CYS 196.A SG GLY 197.A O no hydrogen 3.549 N/A CYS 196.A SG VAL 200.A O no hydrogen 3.758 N/A GLY 197.A N ARG 193.A O no hydrogen 3.117 N/A ILE 202.A N ASP 221.A OD2 no hydrogen 3.065 N/A GLU 203.A N VAL 172.A O no hydrogen 2.775 N/A VAL 204.A N VAL 222.A O no hydrogen 2.872 N/A GLU 205.A N LEU 174.A O no hydrogen 2.943 N/A CYS 206.A N MET 224.A O no hydrogen 2.500 N/A CYS 206.A SG VAL 204.A O no hydrogen 3.666 N/A CYS 206.A SG GLU 211.A O no hydrogen 2.518 N/A ILE 216.A N ALA 212.A O no hydrogen 3.111 N/A GLU 217.A N THR 213.A O no hydrogen 2.818 N/A ALA 218.A N GLU 214.A O no hydrogen 2.556 N/A GLY 219.A N ALA 215.A O no hydrogen 3.056 N/A ALA 220.A N ALA 215.A O no hydrogen 2.931 N/A ASP 221.A N ILE 202.A O no hydrogen 2.807 N/A VAL 222.A N ILE 202.A O no hydrogen 3.174 N/A ILE 223.A N LEU 230.A O no hydrogen 3.004 N/A MET 224.A N VAL 204.A O no hydrogen 2.921 N/A LEU 225.A N GLU 232.A O no hydrogen 3.186 N/A LEU 230.A N ASP 221.A O no hydrogen 3.021 N/A LEU 231.A N ASP 245.A OD1 no hydrogen 2.714 N/A GLU 232.A N ILE 223.A O no hydrogen 2.854 N/A CYS 233.A N ILE 246.A O no hydrogen 2.703 N/A ASP 242.A N TYR 247.A OH no hydrogen 3.000 N/A ASP 245.A N LEU 231.A O no hydrogen 2.752 N/A ILE 246.A N LEU 231.A O no hydrogen 2.878 N/A TYR 247.A N THR 137.A O no hydrogen 2.928 N/A TYR 247.A OH LEU 240.A O no hydrogen 3.240 N/A SER 248.A N CYS 233.A O no hydrogen 3.171 N/A SER 248.A OG GLU 232.A OE2 no hydrogen 2.767 N/A THR 249.A N ALA 139.A O no hydrogen 2.919 N/A HIS 253.A N SER 250.A O no hydrogen 3.073 N/A GLN 254.A N SER 250.A O no hydrogen 2.682 N/A THR 256.A OG1 SER 251.A O no hydrogen 3.553 N/A ILE 259.A N SER 113.A O no hydrogen 3.041 N/A ASP 260.A N GLN 48.A OE1 no hydrogen 2.752 N/A SER 262.A N TYR 45.A O no hydrogen 2.747 N/A LYS 264.A N ASN 43.A O no hydrogen 3.287 N/A LYS 264.A NZ LEU 263.A O no hydrogen 3.008 N/A ALA 266.A N GLU 41.A O no hydrogen 2.866 N/A