Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s1h_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N MET 1.A O no hydrogen 3.353 N/A GLN 5.A N ARG 22.A O no hydrogen 3.111 N/A VAL 7.A N LYS 20.A O no hydrogen 2.687 N/A GLU 8.A N LYS 20.A O no hydrogen 3.393 N/A ILE 10.A N VAL 18.A O no hydrogen 2.877 N/A GLY 13.A N GLY 16.A O no hydrogen 2.628 N/A VAL 17.A N LYS 34.A O no hydrogen 3.122 N/A VAL 18.A N GLY 11.A O no hydrogen 2.945 N/A TYR 19.A N LEU 32.A O no hydrogen 2.787 N/A LYS 20.A N GLU 8.A O no hydrogen 2.783 N/A ALA 21.A N VAL 30.A O no hydrogen 2.818 N/A ARG 22.A N GLN 5.A O no hydrogen 3.142 N/A ARG 22.A NH1 GLN 5.A OE1 no hydrogen 2.622 N/A ASN 23.A N GLU 28.A O no hydrogen 2.790 N/A LYS 24.A N ASN 3.A O no hydrogen 3.101 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.701 N/A THR 26.A N ASN 23.A OD1 no hydrogen 2.851 N/A GLY 27.A N ASN 23.A O no hydrogen 2.521 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.290 N/A VAL 30.A N ALA 21.A O no hydrogen 2.823 N/A ALA 31.A N PHE 72.A O no hydrogen 2.944 N/A LEU 32.A N TYR 19.A O no hydrogen 2.763 N/A LYS 33.A N LEU 70.A O no hydrogen 2.790 N/A LYS 33.A NZ ASP 137.A OD1 no hydrogen 2.679 N/A LYS 34.A N VAL 17.A O no hydrogen 2.843 N/A ILE 35.A N LEU 68.A O no hydrogen 2.707 N/A ILE 41.A N PRO 37.A O no hydrogen 3.350 N/A ARG 42.A N SER 38.A O no hydrogen 3.075 N/A GLU 43.A N THR 39.A O no hydrogen 3.167 N/A ILE 44.A N ALA 40.A O no hydrogen 2.724 N/A SER 45.A N ILE 41.A O no hydrogen 2.784 N/A SER 45.A OG ILE 41.A O no hydrogen 2.680 N/A LEU 46.A N ARG 42.A O no hydrogen 3.252 N/A LEU 47.A N ILE 44.A O no hydrogen 2.525 N/A GLU 49.A N LEU 46.A O no hydrogen 3.085 N/A LEU 50.A N LEU 47.A O no hydrogen 2.965 N/A ASN 54.A N HIS 52.A ND1 no hydrogen 3.033 N/A ASN 54.A ND2 GLN 102.A OE1 no hydrogen 2.983 N/A ASN 54.A ND2 ILE 133.A O no hydrogen 3.016 N/A ILE 55.A N HIS 52.A O no hydrogen 3.102 N/A VAL 56.A N LEU 135.A O no hydrogen 2.816 N/A LYS 57.A N GLU 73.A OE2 no hydrogen 2.800 N/A LEU 59.A N VAL 71.A O no hydrogen 2.691 N/A ASP 60.A N VAL 71.A O no hydrogen 3.268 N/A ILE 62.A N TYR 69.A O no hydrogen 2.983 N/A THR 64.A N LYS 67.A O no hydrogen 2.974 N/A LYS 67.A N THR 64.A O no hydrogen 2.968 N/A LEU 68.A N ILE 35.A O no hydrogen 2.793 N/A TYR 69.A N ILE 62.A O no hydrogen 2.908 N/A LEU 70.A N LYS 33.A O no hydrogen 2.804 N/A VAL 71.A N ASP 60.A O no hydrogen 2.888 N/A PHE 72.A N ALA 31.A O no hydrogen 2.772 N/A GLU 73.A N LYS 57.A O no hydrogen 3.085 N/A LEU 79.A N LEU 125.A O no hydrogen 2.809 N/A LYS 81.A N ASP 78.A OD1 no hydrogen 2.762 N/A PHE 82.A N ASP 78.A O no hydrogen 3.128 N/A MET 83.A N LEU 79.A O no hydrogen 2.760 N/A ASP 84.A N LYS 80.A O no hydrogen 2.923 N/A ALA 85.A N LYS 81.A O no hydrogen 2.843 N/A SER 86.A N PHE 82.A O no hydrogen 2.929 N/A SER 86.A N MET 83.A O no hydrogen 3.125 N/A SER 86.A OG PHE 82.A O no hydrogen 2.823 N/A ALA 87.A N ASP 84.A O no hydrogen 3.292 N/A GLY 90.A N SER 86.A O no hydrogen 2.509 N/A LEU 95.A N PRO 92.A O no hydrogen 2.877 N/A ILE 96.A N PRO 92.A O no hydrogen 2.988 N/A LYS 97.A N LEU 93.A O no hydrogen 2.736 N/A LYS 97.A NZ PHE 264.A O no hydrogen 2.995 N/A LYS 97.A NZ ASP 267.A OD1 no hydrogen 2.689 N/A SER 98.A N PRO 94.A O no hydrogen 2.961 N/A SER 98.A OG THR 269.A O no hydrogen 3.364 N/A TYR 99.A N LEU 95.A O no hydrogen 2.861 N/A LEU 100.A N ILE 96.A O no hydrogen 2.917 N/A PHE 101.A N LYS 97.A O no hydrogen 2.943 N/A GLN 102.A N SER 98.A O no hydrogen 2.928 N/A GLN 102.A NE2 SER 98.A O no hydrogen 3.520 N/A GLN 102.A NE2 SER 98.A OG no hydrogen 3.014 N/A GLN 102.A NE2 GLY 131.A O no hydrogen 2.901 N/A LEU 103.A N TYR 99.A O no hydrogen 2.912 N/A LEU 104.A N LEU 100.A O no hydrogen 2.931 N/A GLN 105.A N PHE 101.A O no hydrogen 3.066 N/A GLN 105.A NE2 PHE 101.A O no hydrogen 3.482 N/A GLY 106.A N GLN 102.A O no hydrogen 2.991 N/A LEU 107.A N LEU 103.A O no hydrogen 2.870 N/A ALA 108.A N LEU 104.A O no hydrogen 2.700 N/A PHE 109.A N GLN 105.A O no hydrogen 2.932 N/A CYS 110.A N GLY 106.A O no hydrogen 2.920 N/A CYS 110.A SG.A GLY 106.A O no hydrogen 3.269 N/A CYS 110.A SG.B GLY 106.A O no hydrogen 3.518 N/A CYS 110.A SG.B LEU 107.A O no hydrogen 3.570 N/A CYS 110.A SG.B VAL 115.A O no hydrogen 3.523 N/A HIS 111.A N LEU 107.A O no hydrogen 2.796 N/A HIS 111.A NE2 ASP 164.A OD2 no hydrogen 2.885 N/A SER 112.A N ALA 108.A O no hydrogen 3.095 N/A SER 112.A OG ALA 108.A O no hydrogen 3.329 N/A SER 112.A OG PHE 109.A O no hydrogen 2.864 N/A HIS 113.A N CYS 110.A O no hydrogen 2.967 N/A ARG 114.A N HIS 111.A O no hydrogen 3.052 N/A VAL 115.A N CYS 110.A O no hydrogen 2.763 N/A HIS 117.A N ASP 164.A OD2 no hydrogen 2.819 N/A ARG 118.A N ASP 164.A OD1 no hydrogen 2.805 N/A LYS 121.A N ASN 124.A OD1 no hydrogen 3.032 N/A LYS 121.A NZ ASP 119.A OD2 no hydrogen 3.225 N/A ASN 124.A N LYS 121.A O no hydrogen 2.901 N/A ASN 124.A ND2 ASP 119.A O no hydrogen 2.887 N/A LEU 125.A N PRO 122.A O no hydrogen 3.287 N/A LEU 126.A N LYS 134.A O no hydrogen 2.964 N/A ILE 127.A N GLN 77.A O no hydrogen 2.831 N/A ASN 128.A N ALA 132.A O no hydrogen 3.307 N/A THR 129.A OG1 GLU 130.A OE1 no hydrogen 3.072 N/A GLU 130.A N ASN 128.A OD1 no hydrogen 2.947 N/A GLY 131.A N ASN 128.A O no hydrogen 3.435 N/A ALA 132.A N ASN 128.A OD1 no hydrogen 3.056 N/A ILE 133.A N GLN 102.A OE1 no hydrogen 3.147 N/A LYS 134.A N LEU 126.A O no hydrogen 2.718 N/A LYS 134.A NZ GLU 73.A OE1 no hydrogen 3.514 N/A LYS 134.A NZ GLU 73.A OE2 no hydrogen 3.122 N/A LEU 135.A N ASN 54.A O no hydrogen 2.749 N/A ALA 136.A N ASN 124.A O no hydrogen 2.887 N/A GLY 139.A N HIS 117.A O no hydrogen 2.896 N/A ALA 141.A N GLU 43.A OE2 no hydrogen 3.042 N/A TRP 146.A NE1 GLY 184.A O no hydrogen 2.907 N/A TYR 147.A OH GLU 174.A OE1 no hydrogen 2.651 N/A ARG 148.A N LEU 145.A O no hydrogen 3.123 N/A ARG 148.A NH1 ASP 119.A OD1 no hydrogen 3.101 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.741 N/A ILE 152.A N ALA 149.A O no hydrogen 3.044 N/A LEU 153.A N ALA 149.A O no hydrogen 3.297 N/A LEU 154.A N PRO 150.A O no hydrogen 2.840 N/A GLY 155.A N ILE 152.A O no hydrogen 3.000 N/A CYS 156.A N GLU 151.A O no hydrogen 2.874 N/A CYS 156.A SG GLU 151.A O no hydrogen 2.889 N/A ALA 162.A N SER 160.A OG no hydrogen 3.056 N/A VAL 163.A N SER 160.A O no hydrogen 3.028 N/A ASP 164.A N THR 161.A O no hydrogen 3.002 N/A TRP 166.A N ALA 162.A O no hydrogen 3.120 N/A SER 167.A N VAL 163.A O no hydrogen 3.214 N/A SER 167.A OG TYR 147.A O no hydrogen 2.614 N/A SER 167.A OG VAL 163.A O no hydrogen 3.199 N/A LEU 168.A N ASP 164.A O no hydrogen 2.965 N/A GLY 169.A N ILE 165.A O no hydrogen 2.926 N/A CYS 170.A N TRP 166.A O no hydrogen 3.008 N/A CYS 170.A SG TRP 166.A O no hydrogen 3.547 N/A ILE 171.A N SER 167.A O no hydrogen 3.035 N/A PHE 172.A N LEU 168.A O no hydrogen 2.803 N/A ALA 173.A N GLY 169.A O no hydrogen 2.987 N/A GLU 174.A N CYS 170.A O no hydrogen 3.034 N/A MET 175.A N ILE 171.A O no hydrogen 2.928 N/A VAL 176.A N PHE 172.A O no hydrogen 3.182 N/A THR 177.A N ALA 173.A O no hydrogen 2.904 N/A THR 177.A OG1 ALA 173.A O no hydrogen 3.124 N/A ARG 178.A N GLU 174.A O no hydrogen 2.757 N/A ARG 178.A NE ALA 87.A O no hydrogen 3.277 N/A ARG 178.A NH2 ALA 87.A O no hydrogen 3.173 N/A ARG 179.A N THR 177.A OG1 no hydrogen 3.280 N/A GLY 184.A N PHE 182.A O no hydrogen 2.934 N/A GLY 184.A N GLN 190.A OE1 no hydrogen 2.870 N/A ASP 185.A N ASP 189.A OD2 no hydrogen 3.025 N/A ASP 189.A N SER 186.A OG no hydrogen 2.906 N/A GLN 190.A N SER 186.A O no hydrogen 2.791 N/A GLN 190.A NE2 TRP 146.A O no hydrogen 3.185 N/A GLN 190.A NE2 PHE 182.A O no hydrogen 2.886 N/A LEU 191.A N GLU 187.A O no hydrogen 2.897 N/A PHE 192.A N ILE 188.A O no hydrogen 2.816 N/A ARG 193.A N ASP 189.A O no hydrogen 2.830 N/A ARG 193.A NE ASP 189.A OD2 no hydrogen 2.802 N/A ILE 194.A N GLN 190.A O no hydrogen 3.091 N/A PHE 195.A N LEU 191.A O no hydrogen 3.005 N/A ARG 196.A N PHE 192.A O no hydrogen 2.919 N/A THR 197.A N ARG 193.A O no hydrogen 3.288 N/A THR 197.A N ILE 194.A O no hydrogen 3.113 N/A THR 197.A OG1 ARG 193.A O no hydrogen 3.425 N/A LEU 198.A N ILE 194.A O no hydrogen 2.850 N/A GLY 199.A N PHE 195.A O no hydrogen 2.714 N/A THR 200.A N TRP 222.A O no hydrogen 2.904 N/A THR 200.A OG1 PRO 220.A O no hydrogen 2.660 N/A VAL 204.A N ASP 202.A OD1 no hydrogen 3.040 N/A VAL 205.A N ASP 202.A OD1 no hydrogen 3.179 N/A TRP 206.A N ASP 202.A O no hydrogen 2.883 N/A GLY 208.A N GLU 203.A OE1 no hydrogen 2.712 N/A VAL 209.A N TRP 206.A O no hydrogen 2.953 N/A THR 210.A N GLU 203.A OE2 no hydrogen 2.984 N/A THR 210.A OG1 GLU 203.A OE2 no hydrogen 2.596 N/A SER 211.A N GLY 208.A O no hydrogen 2.913 N/A MET 212.A N VAL 209.A O no hydrogen 3.170 N/A ASP 214.A N LEU 154.A O no hydrogen 2.968 N/A TYR 215.A N MET 212.A O no hydrogen 2.981 N/A PHE 219.A N LYS 216.A O no hydrogen 2.832 N/A LYS 221.A NZ PHE 219.A O no hydrogen 3.003 N/A TRP 222.A N THR 200.A OG1 no hydrogen 2.946 N/A ARG 224.A NH1 LEU 198.A O no hydrogen 3.014 N/A GLN 225.A N THR 197.A O no hydrogen 2.967 N/A SER 228.A N ASP 226.A OD1 no hydrogen 2.989 N/A SER 228.A OG ASP 226.A OD1 no hydrogen 2.645 N/A LYS 229.A N ASP 226.A O no hydrogen 3.285 N/A VAL 230.A N PHE 227.A O no hydrogen 3.054 N/A LEU 234.A N VAL 231.A O no hydrogen 2.906 N/A GLY 238.A N ASP 235.A OD1 no hydrogen 2.887 N/A ARG 239.A N ASP 235.A O no hydrogen 2.935 N/A SER 240.A N GLU 236.A O no hydrogen 2.890 N/A SER 240.A OG HIS 262.A NE2 no hydrogen 3.148 N/A LEU 241.A N ASP 237.A O no hydrogen 3.053 N/A LEU 242.A N GLY 238.A O no hydrogen 2.894 N/A SER 243.A N ARG 239.A O no hydrogen 2.880 N/A SER 243.A OG ARG 239.A O no hydrogen 3.446 N/A SER 243.A OG SER 240.A O no hydrogen 2.691 N/A GLN 244.A N SER 240.A O no hydrogen 3.148 N/A MET 245.A N LEU 241.A O no hydrogen 2.985 N/A LEU 246.A N LEU 242.A O no hydrogen 2.942 N/A LEU 246.A N SER 243.A O no hydrogen 3.282 N/A TYR 248.A OH GLY 199.A O no hydrogen 2.582 N/A ASN 251.A N ASP 249.A OD1 no hydrogen 2.963 N/A LYS 252.A N ASP 249.A O no hydrogen 2.727 N/A LYS 252.A NZ VAL 205.A O no hydrogen 3.246 N/A LYS 252.A NZ ASP 249.A OD2 no hydrogen 3.058 N/A ARG 253.A N ASP 249.A O no hydrogen 2.963 N/A ARG 253.A NE HIS 247.A O no hydrogen 2.924 N/A ARG 253.A NH1 GLU 151.A OE1 no hydrogen 3.424 N/A ARG 253.A NH1 GLU 151.A OE2 no hydrogen 2.834 N/A ARG 253.A NH1 ALA 162.A O no hydrogen 2.902 N/A ARG 253.A NH2 GLU 151.A OE1 no hydrogen 2.808 N/A ARG 253.A NH2 GLU 151.A OE2 no hydrogen 3.516 N/A ARG 253.A NH2 HIS 247.A O no hydrogen 3.189 N/A ARG 253.A NH2 TYR 248.A O no hydrogen 3.009 N/A ILE 254.A N GLN 244.A O no hydrogen 3.029 N/A ALA 258.A N SER 255.A OG no hydrogen 2.992 N/A ALA 259.A N SER 255.A O no hydrogen 2.839 N/A LEU 260.A N ALA 256.A O no hydrogen 3.050 N/A ALA 261.A N ALA 258.A O no hydrogen 3.067 N/A HIS 262.A N ALA 259.A O no hydrogen 2.989 N/A HIS 262.A NE2 SER 240.A OG no hydrogen 3.148 N/A PHE 264.A N HIS 262.A ND1 no hydrogen 2.940 N/A PHE 265.A N HIS 262.A O no hydrogen 2.944 N/A GLN 266.A N PRO 263.A O no hydrogen 3.026 N/A VAL 268.A N PHE 265.A O no hydrogen 3.149 N/A