Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fx3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N GLN 4.A OE1 no hydrogen 2.736 N/A LYS 5.A N HIS 1.A O no hydrogen 2.840 N/A ALA 6.A N GLU 2.A O no hydrogen 3.124 N/A ILE 7.A N ALA 3.A O no hydrogen 3.145 N/A ALA 8.A N GLN 4.A O no hydrogen 2.862 N/A ARG 9.A N LYS 5.A O no hydrogen 2.915 N/A ARG 9.A N ALA 6.A O no hydrogen 3.232 N/A ARG 9.A NH1 GLU 19.A OE1 no hydrogen 2.852 N/A ARG 9.A NH1 GLU 19.A OE2 no hydrogen 3.418 N/A ARG 9.A NH2 GLU 19.A OE2 no hydrogen 3.070 N/A ARG 9.A NH2 ASP 23.A OD1 no hydrogen 2.988 N/A ASN 10.A N ILE 7.A O no hydrogen 2.987 N/A SER 11.A N ALA 8.A O no hydrogen 3.035 N/A SER 11.A OG ALA 8.A O no hydrogen 2.750 N/A LEU 13.A N SER 79.A OG no hydrogen 2.909 N/A ILE 14.A N SER 11.A OG no hydrogen 3.316 N/A ARG 15.A N.A SER 11.A O no hydrogen 2.859 N/A ARG 15.A N.B SER 11.A O no hydrogen 2.855 N/A ARG 15.A NE.B ASN 10.A O no hydrogen 2.795 N/A ARG 15.A NH2.B ASN 10.A O no hydrogen 3.377 N/A SER 16.A N LEU 12.A O no hydrogen 3.166 N/A SER 16.A OG LEU 12.A O no hydrogen 2.643 N/A LEU 17.A N ILE 14.A O no hydrogen 3.078 N/A GLN 20.A N.A GLN 20.A OE1.A no hydrogen 2.699 N/A HIS 21.A N PRO 18.A O no hydrogen 2.852 N/A VAL 22.A N GLU 19.A O no hydrogen 3.050 N/A LEU 25.A N HIS 21.A O no hydrogen 3.446 N/A LEU 26.A N VAL 22.A O no hydrogen 2.895 N/A SER 27.A N ASP 23.A O no hydrogen 2.900 N/A SER 27.A OG ASP 23.A O no hydrogen 2.919 N/A GLN 28.A N LEU 25.A O no hydrogen 3.020 N/A GLN 28.A NE2 ALA 24.A O no hydrogen 2.889 N/A ALA 29.A N LEU 26.A O no hydrogen 3.221 N/A VAL 30.A N HIS 104.A O no hydrogen 2.790 N/A ARG 32.A N VAL 103.A O no hydrogen 3.066 N/A ARG 32.A NH1 TRP 31.A O no hydrogen 2.831 N/A TYR 34.A N CYS 101.A O.A no hydrogen 3.062 N/A TYR 34.A N CYS 101.A O.B no hydrogen 2.870 N/A TYR 34.A OH HIS 104.A NE2 no hydrogen 2.680 N/A ASP 35.A N GLU 38.A OE1 no hydrogen 2.829 N/A ARG 36.A NH2 VAL 98.A O no hydrogen 3.051 N/A GLY 37.A N ALA 97.A O no hydrogen 2.778 N/A GLU 38.A N ASP 35.A O no hydrogen 3.053 N/A LEU 40.A N ALA 95.A O no hydrogen 2.768 N/A LEU 42.A N GLU 45.A OE1 no hydrogen 2.955 N/A GLN 43.A N SER 94.A OG no hydrogen 2.916 N/A GLU 44.A N TYR 91.A O no hydrogen 2.727 N/A GLU 45.A N LEU 42.A O no hydrogen 3.100 N/A ILE 50.A N ILE 105.A O no hydrogen 2.920 N/A HIS 51.A N PHE 80.A O no hydrogen 2.944 N/A HIS 51.A ND1 HIS 104.A ND1 no hydrogen 2.841 N/A HIS 51.A NE2 TYR 91.A OH no hydrogen 2.916 N/A VAL 53.A N GLU 78.A O no hydrogen 2.922 N/A ILE 54.A N GLU 102.A O no hydrogen 2.873 N/A ASP 55.A N GLU 102.A O no hydrogen 3.189 N/A TRP 57.A N THR 99.A OG1 no hydrogen 3.092 N/A TRP 57.A NE1 THR 163.A O no hydrogen 2.733 N/A VAL 58.A N PHE 74.A O no hydrogen 2.904 N/A LYS 59.A N GLU 96.A O no hydrogen 2.783 N/A LEU 60.A N SER 72.A O no hydrogen 2.955 N/A PHE 61.A N SER 94.A O no hydrogen 2.926 N/A ARG 62.A N ALA 69.A O no hydrogen 2.879 N/A THR 63.A OG1 SER 67.A O no hydrogen 3.356 N/A GLY 66.A N THR 63.A O no hydrogen 2.903 N/A ALA 69.A N ARG 62.A O no hydrogen 2.898 N/A VAL 71.A N LEU 60.A O no hydrogen 2.803 N/A SER 72.A N LEU 60.A O no hydrogen 3.375 N/A PHE 74.A N VAL 58.A O no hydrogen 2.901 N/A THR 75.A N GLU 78.A OE1 no hydrogen 2.848 N/A THR 75.A OG1 GLY 56.A O no hydrogen 2.776 N/A ARG 76.A N THR 75.A OG1 no hydrogen 2.686 N/A GLY 77.A N VAL 53.A O no hydrogen 2.819 N/A SER 79.A OG GLU 82.A OE2 no hydrogen 2.662 N/A PHE 80.A N HIS 51.A O no hydrogen 2.857 N/A GLU 82.A N GLU 82.A OE1 no hydrogen 2.839 N/A ALA 85.A N GLY 81.A O no hydrogen 2.949 N/A LEU 86.A N GLU 82.A O no hydrogen 2.944 N/A ARG 87.A N ALA 83.A O no hydrogen 2.971 N/A ASN 88.A N ALA 85.A O no hydrogen 3.271 N/A THR 89.A N VAL 84.A O no hydrogen 3.406 N/A TYR 91.A N GLU 45.A O no hydrogen 2.885 N/A TYR 91.A OH HIS 51.A NE2 no hydrogen 2.916 N/A SER 94.A N PHE 61.A O no hydrogen 2.784 N/A ALA 95.A N PHE 41.A O no hydrogen 2.972 N/A GLU 96.A N LYS 59.A O no hydrogen 2.858 N/A ALA 97.A N GLU 38.A O no hydrogen 2.934 N/A VAL 98.A N TRP 57.A O no hydrogen 2.895 N/A THR 99.A OG1 PRO 100.A O no hydrogen 3.062 N/A CYS 101.A N.A TYR 34.A O no hydrogen 2.831 N/A CYS 101.A N.B TYR 34.A O no hydrogen 2.874 N/A CYS 101.A SG.A TRP 57.A O no hydrogen 3.141 N/A CYS 101.A SG.A THR 99.A O no hydrogen 3.363 N/A GLU 102.A N ASP 55.A O no hydrogen 2.945 N/A VAL 103.A N ARG 32.A O no hydrogen 2.772 N/A HIS 104.A ND1 HIS 51.A ND1 no hydrogen 2.841 N/A HIS 104.A NE2 TYR 34.A OH no hydrogen 2.680 N/A ILE 105.A N ILE 50.A O no hydrogen 2.785 N/A SER 107.A N GLN 48.A O no hydrogen 2.827 N/A SER 107.A OG ALA 47.A O no hydrogen 2.842 N/A VAL 109.A N PRO 106.A O no hydrogen 3.008 N/A PHE 110.A N PRO 106.A O no hydrogen 3.335 N/A VAL 111.A N SER 107.A O no hydrogen 2.814 N/A SER 112.A N PRO 108.A O no hydrogen 2.843 N/A SER 112.A OG PRO 108.A O no hydrogen 2.926 N/A SER 112.A OG VAL 109.A O no hydrogen 3.551 N/A LEU 113.A N VAL 109.A O no hydrogen 3.239 N/A ARG 115.A N.A SER 112.A O no hydrogen 2.999 N/A ARG 115.A N.B SER 112.A O no hydrogen 3.020 N/A ARG 115.A NH1.A SER 112.A OG no hydrogen 2.712 N/A ASP 116.A N LEU 113.A O no hydrogen 3.464 N/A GLU 118.A N ASP 116.A OD1 no hydrogen 3.187 N/A ILE 119.A N ASP 116.A O no hydrogen 2.949 N/A ILE 121.A N PRO 117.A O no hydrogen 2.897 N/A SER 122.A N GLU 118.A O no hydrogen 3.008 N/A SER 122.A OG ILE 119.A O no hydrogen 2.928 N/A ILE 123.A N ILE 119.A O no hydrogen 2.980 N/A LEU 124.A N CYS 120.A O no hydrogen 2.852 N/A ALA 125.A N ILE 121.A O no hydrogen 2.931 N/A THR 126.A N SER 122.A O no hydrogen 3.327 N/A THR 126.A OG1 SER 122.A O no hydrogen 3.261 N/A THR 127.A N ILE 123.A O no hydrogen 2.928 N/A THR 127.A OG1 LEU 124.A O no hydrogen 2.981 N/A PHE 128.A N LEU 124.A O no hydrogen 2.960 N/A GLY 129.A N ALA 125.A O no hydrogen 3.155 N/A HIS 130.A N.A THR 126.A O no hydrogen 2.966 N/A HIS 130.A N.B THR 126.A O no hydrogen 2.929 N/A LEU 131.A N THR 127.A O no hydrogen 2.824 N/A HIS 132.A N PHE 128.A O no hydrogen 3.042 N/A SER 133.A N GLY 129.A O no hydrogen 3.036 N/A SER 133.A OG GLN 137.A OE1 no hydrogen 3.314 N/A LEU 134.A N HIS 130.A O.A no hydrogen 2.942 N/A LEU 134.A N HIS 130.A O.B no hydrogen 2.878 N/A VAL 135.A N LEU 131.A O no hydrogen 2.960 N/A ALA 136.A N HIS 132.A O no hydrogen 2.968 N/A GLN 137.A N SER 133.A O no hydrogen 3.026 N/A LEU 138.A N LEU 134.A O no hydrogen 2.982 N/A GLU 139.A N VAL 135.A O no hydrogen 2.821 N/A GLN 140.A N ALA 136.A O no hydrogen 3.139 N/A GLN 140.A N GLN 137.A O no hydrogen 3.183 N/A LEU 141.A N LEU 138.A O no hydrogen 3.320 N/A GLN 144.A NE2 GLU 152.A OE1 no hydrogen 3.066 N/A THR 145.A N GLN 148.A OE1 no hydrogen 2.959 N/A THR 145.A OG1 GLN 148.A OE1 no hydrogen 3.367 N/A GLN 148.A N THR 145.A OG1 no hydrogen 3.075 N/A GLN 148.A NE2 TYR 210.A O no hydrogen 3.480 N/A ARG 149.A N THR 145.A O no hydrogen 3.041 N/A ARG 149.A NE GLN 144.A OE1 no hydrogen 2.753 N/A ARG 149.A NH1 GLU 152.A OE1 no hydrogen 2.915 N/A VAL 150.A N GLY 146.A O no hydrogen 3.014 N/A ALA 151.A N ALA 147.A O no hydrogen 2.921 N/A GLU 152.A N GLN 148.A O no hydrogen 3.025 N/A PHE 153.A N ARG 149.A O no hydrogen 2.944 N/A LEU 154.A N VAL 150.A O no hydrogen 2.838 N/A LEU 155.A N ALA 151.A O no hydrogen 2.928 N/A GLU 156.A N GLU 152.A O no hydrogen 2.917 N/A LEU 157.A N PHE 153.A O no hydrogen 3.156 N/A CYS 158.A N LEU 154.A O no hydrogen 3.290 N/A CYS 158.A N LEU 155.A O no hydrogen 3.040 N/A CYS 158.A SG LEU 154.A O no hydrogen 3.685 N/A VAL 162.A N ALA 199.A O no hydrogen 3.037 N/A THR 163.A OG1 HIS 198.A ND1 no hydrogen 2.985 N/A LEU 164.A N ASN 197.A O no hydrogen 3.099 N/A LYS 168.A NZ PRO 165.A O no hydrogen 2.783 N/A ALA 171.A N LYS 168.A O no hydrogen 3.223 N/A ARG 173.A N LEU 169.A O no hydrogen 3.159 N/A ARG 173.A NH1 VAL 73.A O no hydrogen 2.874 N/A ARG 173.A NH1 GLU 78.A OE1 no hydrogen 2.814 N/A ARG 173.A NH1 GLU 78.A OE2 no hydrogen 3.516 N/A ARG 173.A NH2 GLU 78.A OE2 no hydrogen 2.730 N/A LEU 174.A N ILE 170.A O no hydrogen 2.926 N/A GLY 175.A N GLY 172.A O no hydrogen 3.013 N/A LEU 180.A N LYS 176.A O no hydrogen 2.911 N/A SER 181.A N PRO 177.A O no hydrogen 2.846 N/A SER 181.A OG PRO 177.A O no hydrogen 3.185 N/A ARG 182.A N GLU 178.A O no hydrogen 2.732 N/A ALA 183.A N SER 179.A O no hydrogen 2.721 N/A PHE 184.A N LEU 180.A O no hydrogen 2.963 N/A SER 185.A N SER 181.A O no hydrogen 3.039 N/A SER 185.A OG ARG 182.A O no hydrogen 3.309 N/A ARG 186.A N ARG 182.A O no hydrogen 2.940 N/A LEU 187.A N ALA 183.A O no hydrogen 2.936 N/A LYS 188.A N SER 185.A O no hydrogen 2.957 N/A ALA 190.A N LEU 187.A O no hydrogen 2.878 N/A GLY 191.A N LYS 188.A O no hydrogen 2.870 N/A VAL 192.A N LEU 187.A O no hydrogen 3.342 N/A THR 193.A N GLU 200.A O no hydrogen 3.063 N/A HIS 198.A N LYS 195.A O no hydrogen 3.322 N/A ALA 199.A N VAL 162.A O no hydrogen 2.685 N/A GLU 200.A N THR 193.A O no hydrogen 2.810 N/A ILE 201.A N CYS 160.A O no hydrogen 2.620 N/A GLU 202.A N GLY 191.A O no hydrogen 2.875 N/A ALA 205.A N ASP 203.A OD1 no hydrogen 2.991 N/A LEU 206.A N ASP 203.A OD2 no hydrogen 3.316 N/A LEU 207.A N ASP 203.A O no hydrogen 3.391 N/A ARG 208.A N ILE 204.A O no hydrogen 3.058 N/A ASP 209.A N ALA 205.A O no hydrogen 2.999 N/A TYR 210.A N LEU 206.A O no hydrogen 3.169 N/A ALA 211.A N LEU 207.A O no hydrogen 2.929 N/A GLU 212.A N ARG 208.A O no hydrogen 2.857 N/A SER 213.A OG ASP 209.A O no hydrogen 3.229 N/A SER 213.A OG TYR 210.A O no hydrogen 3.539 N/A SER 213.A OG GLU 212.A O no hydrogen 2.566 N/A