Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sng_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 1.A N HIS 6.A NE2 no hydrogen 3.480 N/A TRP 1.A N ASP 126.A OD1 no hydrogen 2.977 N/A TRP 1.A N HIS 132.A NE2 no hydrogen 3.482 N/A TRP 1.A N ASP 160.A OD1 no hydrogen 3.248 N/A SER 2.A N ASP 160.A O no hydrogen 3.045 N/A GLU 4.A N GLU 4.A OE1 no hydrogen 2.777 N/A HIS 6.A N SER 2.A O no hydrogen 3.461 N/A VAL 7.A N LYS 3.A O no hydrogen 2.937 N/A MET 8.A N GLU 4.A O no hydrogen 2.952 N/A THR 9.A N GLY 5.A O no hydrogen 2.944 N/A THR 9.A OG1 GLY 5.A O no hydrogen 2.779 N/A CYS 10.A N HIS 6.A O no hydrogen 2.877 N/A CYS 10.A SG HIS 6.A O no hydrogen 3.420 N/A ARG 11.A N VAL 7.A O no hydrogen 2.966 N/A ILE 12.A N MET 8.A O no hydrogen 2.935 N/A ALA 13.A N THR 9.A O no hydrogen 3.010 N/A GLN 14.A N CYS 10.A O no hydrogen 2.765 N/A GLN 14.A NE2 GLY 35.A O no hydrogen 2.804 N/A GLY 15.A N ARG 11.A O no hydrogen 3.122 N/A LEU 16.A N ALA 13.A O no hydrogen 3.024 N/A LEU 17.A N GLN 14.A O no hydrogen 3.208 N/A ASN 18.A N ASN 262.A OD1 no hydrogen 2.835 N/A ALA 21.A N ASN 18.A OD1 no hydrogen 2.828 N/A ALA 22.A N ASN 18.A O no hydrogen 2.860 N/A HIS 23.A N ASP 19.A O no hydrogen 3.123 N/A ALA 24.A N GLU 20.A O no hydrogen 3.002 N/A VAL 25.A N ALA 21.A O no hydrogen 2.881 N/A LYS 26.A N ALA 22.A O no hydrogen 3.011 N/A MET 27.A N HIS 23.A O no hydrogen 2.964 N/A LEU 28.A N ALA 24.A O no hydrogen 2.978 N/A LEU 28.A N VAL 25.A O no hydrogen 3.210 N/A LEU 29.A N VAL 25.A O no hydrogen 3.254 N/A VAL 33.A N PRO 30.A O no hydrogen 3.383 N/A ASN 34.A N GLU 31.A O no hydrogen 3.039 N/A ASP 36.A N VAL 33.A O no hydrogen 2.966 N/A LEU 37.A N GLN 14.A OE1 no hydrogen 2.989 N/A SER 38.A N ASP 36.A OD1 no hydrogen 3.093 N/A SER 38.A OG ASP 36.A OD1 no hydrogen 2.570 N/A SER 38.A OG ASP 36.A OD2 no hydrogen 3.220 N/A ALA 39.A N ASP 36.A O no hydrogen 3.164 N/A LEU 40.A N LEU 37.A O no hydrogen 2.882 N/A CYS 41.A SG.A SER 38.A O no hydrogen 3.212 N/A CYS 41.A SG.B LEU 37.A O no hydrogen 3.585 N/A TRP 43.A N LEU 40.A O no hydrogen 2.770 N/A ASP 45.A N VAL 42.A O no hydrogen 2.816 N/A GLN 46.A N TRP 43.A O no hydrogen 2.936 N/A VAL 47.A N TRP 43.A O no hydrogen 3.017 N/A ARG 48.A N PRO 44.A O no hydrogen 3.048 N/A ARG 48.A NH1 ASP 45.A OD1 no hydrogen 3.336 N/A TRP 50.A N VAL 47.A O no hydrogen 2.952 N/A LYS 52.A NZ TYR 53.A OH no hydrogen 3.550 N/A TYR 53.A N TRP 50.A O no hydrogen 2.868 N/A TYR 53.A OH GLU 115.A OE1 no hydrogen 2.510 N/A LYS 54.A N TYR 51.A O no hydrogen 3.446 N/A THR 56.A N TYR 53.A O no hydrogen 2.839 N/A THR 56.A OG1 TYR 53.A O no hydrogen 2.675 N/A SER 57.A N LYS 54.A O no hydrogen 3.154 N/A SER 57.A OG.B ARG 48.A O no hydrogen 3.490 N/A SER 57.A OG.B LYS 54.A O no hydrogen 2.976 N/A LEU 59.A N THR 56.A O no hydrogen 2.991 N/A HIS 60.A N SER 57.A O no hydrogen 3.489 N/A HIS 60.A ND1 ASP 126.A OD2 no hydrogen 2.953 N/A ILE 62.A N HIS 132.A O no hydrogen 2.735 N/A THR 64.A N GLY 134.A O no hydrogen 2.997 N/A THR 64.A OG1 GLY 134.A O no hydrogen 2.936 N/A ALA 68.A N PRO 65.A O no hydrogen 3.111 N/A CYS 69.A SG.A LYS 67.A O no hydrogen 4.039 N/A CYS 69.A SG.B LYS 67.A O no hydrogen 3.666 N/A ASN 70.A ND2 ALA 68.A O no hydrogen 3.021 N/A ASP 72.A N ASP 76.A OD2 no hydrogen 2.964 N/A TYR 73.A OH ASP 85.A OD1 no hydrogen 2.527 N/A ARG 75.A N ASP 72.A OD1 no hydrogen 2.931 N/A ARG 75.A NE ASP 76.A OD1 no hydrogen 2.722 N/A ARG 75.A NE ASP 76.A OD2 no hydrogen 3.466 N/A ARG 75.A NH1 ASN 70.A OD1 no hydrogen 3.121 N/A ARG 75.A NH2 ASN 70.A OD1 no hydrogen 2.984 N/A ARG 75.A NH2 ASP 76.A OD1 no hydrogen 3.569 N/A ARG 75.A NH2 ASP 76.A OD2 no hydrogen 2.871 N/A ASP 76.A N ASP 72.A O no hydrogen 2.852 N/A CYS 77.A N TYR 73.A O no hydrogen 2.882 N/A HIS 78.A N ASP 76.A O no hydrogen 3.046 N/A HIS 78.A ND1 ASP 79.A O no hydrogen 2.829 N/A ASP 79.A N VAL 83.A O no hydrogen 3.072 N/A HIS 81.A N ASP 79.A OD1 no hydrogen 2.993 N/A GLY 82.A N ASP 79.A O no hydrogen 2.995 N/A VAL 83.A N ASP 79.A OD1 no hydrogen 2.885 N/A ASP 85.A N CYS 77.A O no hydrogen 3.036 N/A CYS 87.A N ASP 85.A O no hydrogen 2.776 N/A VAL 88.A N PHE 61.A O no hydrogen 3.147 N/A ALA 91.A N CYS 87.A O no hydrogen 2.862 N/A ILE 92.A N VAL 88.A O no hydrogen 3.013 N/A GLN 93.A N ALA 89.A O no hydrogen 3.298 N/A GLN 93.A NE2 ALA 89.A O no hydrogen 3.616 N/A ASN 94.A N GLY 90.A O no hydrogen 2.935 N/A PHE 95.A N ALA 91.A O no hydrogen 2.890 N/A THR 96.A N ILE 92.A O no hydrogen 2.985 N/A THR 96.A OG1 ILE 92.A O no hydrogen 2.703 N/A THR 97.A N GLN 93.A O no hydrogen 3.006 N/A THR 97.A OG1 GLN 93.A O no hydrogen 3.011 N/A GLN 98.A N ASN 94.A O no hydrogen 2.900 N/A GLN 98.A NE2 ASN 94.A OD1 no hydrogen 3.119 N/A LEU 99.A N PHE 95.A O no hydrogen 2.900 N/A SER 100.A N THR 96.A O no hydrogen 3.035 N/A SER 100.A N THR 97.A O no hydrogen 3.249 N/A SER 100.A OG THR 97.A O no hydrogen 2.732 N/A HIS 101.A N GLN 98.A O no hydrogen 3.069 N/A HIS 101.A ND1 GLU 104.A OE1 no hydrogen 3.003 N/A TYR 102.A N LEU 99.A O no hydrogen 3.068 N/A ARG 103.A NH1 PHE 265.A O no hydrogen 3.010 N/A GLY 105.A N HIS 101.A O no hydrogen 2.920 N/A GLY 105.A N TYR 102.A O no hydrogen 3.257 N/A ARG 110.A N ASP 108.A OD2 no hydrogen 2.514 N/A TYR 111.A N ASP 108.A O no hydrogen 3.367 N/A TYR 111.A N ASP 108.A OD2 no hydrogen 3.256 N/A THR 114.A OG1 LEU 28.A O no hydrogen 2.516 N/A GLU 115.A N ASN 112.A OD1 no hydrogen 3.012 N/A ALA 116.A N ASN 112.A O no hydrogen 2.904 N/A LEU 117.A N MET 113.A O no hydrogen 2.901 N/A LEU 118.A N THR 114.A O no hydrogen 3.044 N/A PHE 119.A N GLU 115.A O no hydrogen 2.789 N/A LEU 120.A N ALA 116.A O no hydrogen 2.853 N/A SER 121.A N LEU 117.A O no hydrogen 2.926 N/A SER 121.A OG LEU 117.A O no hydrogen 2.725 N/A HIS 122.A N LEU 118.A O no hydrogen 2.912 N/A HIS 122.A ND1 CYS 41.A O no hydrogen 2.677 N/A PHE 123.A N PHE 119.A O no hydrogen 2.755 N/A MET 124.A N LEU 120.A O no hydrogen 2.953 N/A ASP 126.A N HIS 122.A O no hydrogen 2.943 N/A ILE 127.A N PHE 123.A O no hydrogen 2.877 N/A HIS 128.A N GLY 125.A O no hydrogen 3.066 N/A HIS 128.A ND1 MET 124.A O no hydrogen 2.800 N/A GLN 129.A N ASP 126.A O no hydrogen 3.011 N/A GLN 129.A NE2 HIS 156.A O no hydrogen 3.616 N/A GLN 129.A NE2 ASP 160.A OD1 no hydrogen 2.692 N/A MET 131.A N GLN 129.A OE1 no hydrogen 2.769 N/A HIS 132.A N GLN 129.A O no hydrogen 2.815 N/A HIS 132.A ND1 HIS 60.A O no hydrogen 2.620 N/A HIS 132.A NE2 ASP 160.A OD1 no hydrogen 3.047 N/A VAL 133.A N PRO 130.A O no hydrogen 2.910 N/A PHE 135.A N TYR 225.A OH no hydrogen 2.766 N/A THR 136.A N THR 64.A O no hydrogen 2.958 N/A THR 136.A OG1 THR 64.A O no hydrogen 2.927 N/A SER 137.A N ASP 66.A OD1 no hydrogen 2.864 N/A SER 137.A OG.A ASP 66.A OD1 no hydrogen 3.092 N/A SER 137.A OG.A ASP 66.A OD2 no hydrogen 3.049 N/A SER 137.A OG.B ASP 66.A OD1 no hydrogen 3.489 N/A SER 137.A OG.B ASP 66.A OD2 no hydrogen 2.600 N/A ALA 139.A N THR 136.A O no hydrogen 3.106 N/A GLY 140.A N PHE 135.A O no hydrogen 3.043 N/A GLY 141.A N ASP 138.A OD1 no hydrogen 2.802 N/A ASN 142.A N ALA 139.A O no hydrogen 3.030 N/A ASN 142.A ND2 ALA 139.A O no hydrogen 2.835 N/A SER 143.A N ASP 138.A O no hydrogen 3.000 N/A ILE 144.A N GLY 141.A O no hydrogen 3.247 N/A LEU 146.A N SER 153.A O no hydrogen 3.179 N/A ARG 147.A N GLU 232.A O no hydrogen 3.071 N/A ARG 147.A NH2 ARG 150.A O no hydrogen 2.832 N/A TRP 148.A N HIS 151.A O no hydrogen 2.800 N/A TRP 148.A NE1 THR 166.A OG1 no hydrogen 2.974 N/A PHE 149.A N LEU 234.A O no hydrogen 2.980 N/A HIS 151.A NE2 GLU 162.A OE2 no hydrogen 3.163 N/A SER 153.A N LEU 146.A O no hydrogen 3.024 N/A SER 153.A OG ASN 154.A O no hydrogen 3.448 N/A SER 153.A OG GLU 162.A OE1 no hydrogen 2.971 N/A LEU 155.A N ILE 144.A O no hydrogen 3.103 N/A HIS 156.A N GLY 141.A O no hydrogen 3.109 N/A HIS 156.A ND1 GLY 140.A O no hydrogen 2.917 N/A HIS 157.A N ASN 154.A OD1 no hydrogen 2.877 N/A VAL 158.A N ASN 154.A O no hydrogen 2.995 N/A VAL 158.A N LEU 155.A O no hydrogen 3.195 N/A TRP 159.A N LEU 155.A O no hydrogen 3.442 N/A TRP 159.A N HIS 156.A O no hydrogen 3.059 N/A TRP 159.A NE1 TYR 238.A OH no hydrogen 2.962 N/A ASP 160.A N HIS 156.A O no hydrogen 2.799 N/A ARG 161.A N HIS 157.A O no hydrogen 2.930 N/A ARG 161.A NE GLU 4.A OE1 no hydrogen 2.979 N/A ARG 161.A NE GLU 4.A OE2 no hydrogen 3.292 N/A ARG 161.A NH2 GLU 4.A OE2 no hydrogen 2.658 N/A GLU 162.A N HIS 157.A O no hydrogen 3.092 N/A ILE 163.A N VAL 158.A O no hydrogen 3.014 N/A LEU 165.A N ARG 161.A O no hydrogen 2.779 N/A THR 166.A N GLU 162.A O no hydrogen 2.786 N/A THR 166.A OG1 GLU 162.A O no hydrogen 3.103 N/A ALA 167.A N ILE 163.A O no hydrogen 2.999 N/A ALA 168.A N ILE 164.A O no hydrogen 2.985 N/A LYS 169.A N LEU 165.A O no hydrogen 3.037 N/A ASP 170.A N THR 166.A O no hydrogen 2.860 N/A TYR 171.A N ALA 167.A O no hydrogen 3.118 N/A TYR 172.A N ALA 168.A O no hydrogen 2.856 N/A TYR 172.A OH ASP 182.A OD2 no hydrogen 2.327 N/A LYS 174.A N ALA 168.A O no hydrogen 2.943 N/A ASP 175.A N TYR 172.A O no hydrogen 3.000 N/A LEU 178.A N ASP 175.A O no hydrogen 3.289 N/A LEU 179.A N ASP 175.A O no hydrogen 3.329 N/A GLU 180.A N ILE 176.A O no hydrogen 2.932 N/A GLU 181.A N ASN 177.A O no hydrogen 3.239 N/A ASP 182.A N LEU 178.A O no hydrogen 3.112 N/A ILE 183.A N LEU 179.A O no hydrogen 3.009 N/A GLU 184.A N GLU 180.A O no hydrogen 2.821 N/A GLY 185.A N GLU 181.A O no hydrogen 2.643 N/A ASN 186.A N ASP 182.A O no hydrogen 2.766 N/A PHE 187.A N GLU 184.A O no hydrogen 3.377 N/A THR 188.A N GLU 184.A O no hydrogen 3.090 N/A THR 188.A N GLY 185.A O no hydrogen 3.209 N/A THR 188.A OG1 GLU 184.A O no hydrogen 2.521 N/A ASP 189.A N GLY 185.A O no hydrogen 3.059 N/A GLY 190.A N GLY 185.A O no hydrogen 3.221 N/A TRP 192.A N ASN 186.A O no hydrogen 2.838 N/A SER 193.A N GLY 190.A O no hydrogen 3.055 N/A SER 193.A OG GLY 190.A O no hydrogen 2.533 N/A ASP 195.A N TRP 192.A O no hydrogen 2.928 N/A TRP 199.A N ASP 195.A O no hydrogen 3.144 N/A ARG 200.A N LEU 196.A O no hydrogen 3.332 N/A GLU 201.A N SER 198.A O no hydrogen 3.248 N/A CYS 202.A SG.B TRP 199.A O no hydrogen 3.031 N/A GLY 203.A N GLU 201.A OE2.B no hydrogen 3.224 N/A SER 207.A N ASN 204.A OD1 no hydrogen 2.970 N/A SER 207.A OG CYS 202.A O no hydrogen 2.374 N/A CYS 208.A N ASN 204.A O no hydrogen 2.910 N/A CYS 208.A SG.A GLY 203.A O no hydrogen 3.448 N/A CYS 208.A SG.A ASN 204.A O no hydrogen 3.222 N/A CYS 208.A SG.B ASN 204.A O no hydrogen 2.955 N/A CYS 208.A SG.B VAL 205.A O no hydrogen 2.885 N/A VAL 209.A N VAL 205.A O no hydrogen 2.983 N/A ASN 210.A N PHE 206.A O no hydrogen 2.938 N/A LYS 211.A N SER 207.A O no hydrogen 3.016 N/A LYS 211.A NZ GLU 215.A OE2 no hydrogen 2.703 N/A PHE 212.A N CYS 208.A O no hydrogen 2.843 N/A ALA 213.A N VAL 209.A O no hydrogen 2.952 N/A THR 214.A N ASN 210.A O no hydrogen 2.991 N/A THR 214.A OG1 ASN 210.A O no hydrogen 2.815 N/A GLU 215.A N LYS 211.A O no hydrogen 2.991 N/A SER 216.A N PHE 212.A O no hydrogen 3.036 N/A SER 216.A OG ILE 127.A O no hydrogen 2.665 N/A ILE 217.A N ALA 213.A O no hydrogen 2.919 N/A ASN 218.A N THR 214.A O no hydrogen 3.043 N/A ILE 219.A N GLU 215.A O no hydrogen 3.002 N/A ALA 220.A N SER 216.A O no hydrogen 2.798 N/A CYS 221.A N ILE 217.A O no hydrogen 3.015 N/A CYS 221.A SG.A ILE 217.A O no hydrogen 3.824 N/A CYS 221.A SG.B ILE 217.A O no hydrogen 3.243 N/A LYS 222.A N ASN 218.A O no hydrogen 2.921 N/A TRP 223.A N ILE 219.A O no hydrogen 2.788 N/A GLY 224.A N ILE 219.A O no hydrogen 3.139 N/A TYR 225.A N ALA 220.A O no hydrogen 2.760 N/A TYR 225.A OH ASP 138.A OD1 no hydrogen 2.716 N/A VAL 228.A N TYR 225.A O no hydrogen 3.075 N/A GLY 231.A N ASP 145.A O no hydrogen 2.818 N/A GLU 232.A N GLU 229.A O no hydrogen 3.284 N/A LEU 234.A N ARG 147.A O no hydrogen 2.940 N/A TYR 238.A OH GLY 224.A O no hydrogen 2.626 N/A PHE 239.A N SER 235.A O no hydrogen 2.857 N/A ASN 240.A N ASP 236.A O no hydrogen 2.841 N/A ASN 240.A ND2 ASP 236.A O no hydrogen 2.545 N/A SER 241.A N ASP 237.A O no hydrogen 3.058 N/A SER 241.A OG ASP 237.A O no hydrogen 2.762 N/A SER 241.A OG TYR 238.A O no hydrogen 3.165 N/A ARG 242.A N TYR 238.A O no hydrogen 2.921 N/A ARG 242.A NE TRP 223.A O no hydrogen 2.728 N/A ARG 242.A NH1 SER 241.A OG no hydrogen 2.975 N/A ARG 242.A NH2 TRP 223.A O no hydrogen 3.214 N/A LEU 243.A N PHE 239.A O no hydrogen 3.111 N/A ILE 245.A N ARG 242.A O no hydrogen 2.737 N/A VAL 246.A N ARG 242.A O no hydrogen 3.051 N/A MET 247.A N LEU 243.A O no hydrogen 2.959 N/A LYS 248.A N PRO 244.A O no hydrogen 3.211 N/A ARG 249.A N ILE 245.A O no hydrogen 3.182 N/A ARG 249.A NE HIS 128.A O no hydrogen 2.958 N/A ARG 249.A NH1 GLU 215.A OE1 no hydrogen 2.745 N/A ARG 249.A NH1 GLN 252.A OE1 no hydrogen 2.912 N/A ARG 249.A NH2 PHE 212.A O no hydrogen 3.167 N/A ARG 249.A NH2 SER 216.A OG no hydrogen 2.903 N/A VAL 250.A N VAL 246.A O no hydrogen 3.184 N/A ALA 251.A N MET 247.A O no hydrogen 3.097 N/A GLN 252.A N LYS 248.A O no hydrogen 2.691 N/A GLY 253.A N ARG 249.A O no hydrogen 2.987 N/A GLY 254.A N VAL 250.A O no hydrogen 3.201 N/A ILE 255.A N ALA 251.A O no hydrogen 2.955 N/A ARG 256.A N GLN 252.A O no hydrogen 2.859 N/A ARG 256.A NE TRP 199.A O no hydrogen 2.900 N/A ARG 256.A NH1 HIS 128.A NE2 no hydrogen 3.036 N/A ARG 256.A NH1 GLU 215.A OE1 no hydrogen 2.885 N/A ARG 256.A NH2 GLU 215.A OE2 no hydrogen 2.967 N/A LEU 257.A N GLY 253.A O no hydrogen 2.793 N/A ALA 258.A N GLY 254.A O no hydrogen 3.047 N/A MET 259.A N ILE 255.A O no hydrogen 3.109 N/A LEU 260.A N ARG 256.A O no hydrogen 2.963 N/A LEU 261.A N LEU 257.A O no hydrogen 2.938 N/A ASN 262.A N ALA 258.A O no hydrogen 2.754 N/A ASN 262.A ND2 LEU 16.A O no hydrogen 3.132 N/A ASN 263.A N MET 259.A O no hydrogen 2.970 N/A VAL 264.A N LEU 260.A O no hydrogen 2.883 N/A PHE 265.A N LEU 261.A O no hydrogen 2.960 N/A GLY 266.A N ASN 262.A O no hydrogen 3.104 N/A