Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3stu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N HIS 31.A ND1 no hydrogen 3.070 N/A LYS 4.A NZ VAL 2.A O no hydrogen 2.662 N/A HIS 5.A NE2 THR 34.A OG1 no hydrogen 2.619 N/A PHE 6.A N ASN 32.A O no hydrogen 2.902 N/A VAL 7.A N ILE 75.A O no hydrogen 2.868 N/A LEU 8.A N THR 34.A O no hydrogen 2.729 N/A VAL 9.A N VAL 77.A O no hydrogen 2.817 N/A HIS 10.A ND1 THR 11.A O no hydrogen 2.786 N/A ALA 12.A N THR 11.A OG1 no hydrogen 2.687 N/A HIS 14.A N THR 11.A O no hydrogen 3.247 N/A HIS 14.A ND1 ALA 12.A O no hydrogen 2.902 N/A HIS 14.A NE2 TYR 158.A OH no hydrogen 2.769 N/A ALA 16.A N ASP 37.A OD1 no hydrogen 2.700 N/A CYS 18.A N GLY 15.A O no hydrogen 3.111 N/A CYS 18.A SG GLY 15.A O no hydrogen 3.316 N/A TRP 19.A N ALA 16.A O no hydrogen 3.144 N/A TYR 20.A N TRP 17.A O no hydrogen 3.150 N/A TYR 20.A OH ASP 165.A OD1 no hydrogen 2.519 N/A LYS 21.A NZ ASP 165.A OD2 no hydrogen 2.602 N/A LYS 21.A NZ MET 240.A O no hydrogen 2.789 N/A VAL 23.A N TRP 19.A O no hydrogen 2.873 N/A ALA 24.A N TYR 20.A O no hydrogen 3.116 N/A LEU 25.A N LYS 21.A O no hydrogen 3.204 N/A MET 26.A N ILE 22.A O no hydrogen 2.895 N/A ARG 27.A N VAL 23.A O no hydrogen 2.914 N/A SER 28.A N ALA 24.A O no hydrogen 3.088 N/A SER 28.A OG ALA 24.A O no hydrogen 2.813 N/A SER 28.A OG LEU 25.A O no hydrogen 3.527 N/A SER 29.A N LEU 25.A O no hydrogen 3.157 N/A SER 29.A OG LEU 25.A O no hydrogen 3.238 N/A SER 29.A OG MET 26.A O no hydrogen 2.915 N/A GLY 30.A N ARG 27.A O no hydrogen 3.310 N/A HIS 31.A N MET 26.A O no hydrogen 2.996 N/A ASN 32.A N LYS 4.A O no hydrogen 2.828 N/A THR 34.A N PHE 6.A O no hydrogen 2.813 N/A THR 34.A OG1 HIS 5.A NE2 no hydrogen 2.619 N/A LEU 36.A N LEU 8.A O no hydrogen 3.192 N/A LEU 38.A N HIS 10.A NE2 no hydrogen 3.011 N/A GLY 39.A N TYR 57.A O no hydrogen 2.940 N/A ALA 40.A N ASN 44.A OD1 no hydrogen 3.010 N/A SER 41.A N LEU 38.A O no hydrogen 3.226 N/A SER 41.A OG LEU 38.A O no hydrogen 3.347 N/A SER 41.A OG GLY 39.A O no hydrogen 2.936 N/A ILE 43.A N ASP 37.A OD2 no hydrogen 3.059 N/A ASN 44.A N SER 41.A O no hydrogen 2.914 N/A LYS 46.A N ASN 44.A OD1 no hydrogen 2.998 N/A GLN 47.A N GLN 50.A OE1 no hydrogen 3.028 N/A GLN 47.A NE2 PRO 45.A O no hydrogen 3.212 N/A GLN 50.A N GLN 47.A O no hydrogen 2.846 N/A ILE 51.A N ALA 48.A O no hydrogen 3.081 N/A PHE 54.A N ASP 183.A OD2 no hydrogen 2.723 N/A ASP 56.A N ASN 53.A O no hydrogen 2.841 N/A TYR 57.A N ASN 53.A O no hydrogen 3.367 N/A LEU 58.A N PHE 54.A O no hydrogen 3.094 N/A SER 59.A OG ASP 56.A O no hydrogen 3.359 N/A LEU 61.A N LEU 58.A O no hydrogen 2.962 N/A MET 62.A N LEU 58.A O no hydrogen 3.099 N/A GLU 63.A N SER 59.A O no hydrogen 2.747 N/A PHE 64.A N PRO 60.A O no hydrogen 3.260 N/A MET 65.A N LEU 61.A O no hydrogen 2.849 N/A ALA 66.A N MET 62.A O no hydrogen 2.964 N/A SER 67.A N GLU 63.A O no hydrogen 3.030 N/A SER 67.A N PHE 64.A O no hydrogen 3.198 N/A SER 67.A OG PHE 64.A O no hydrogen 2.746 N/A LEU 68.A N MET 65.A O no hydrogen 3.318 N/A GLU 72.A N PRO 69.A O no hydrogen 2.929 N/A LYS 73.A NZ ALA 70.A O no hydrogen 2.967 N/A ILE 74.A N LYS 96.A O no hydrogen 2.997 N/A ILE 75.A N HIS 5.A O no hydrogen 2.861 N/A LEU 76.A N VAL 99.A O no hydrogen 3.094 N/A VAL 77.A N VAL 7.A O no hydrogen 2.866 N/A GLY 78.A N VAL 101.A O no hydrogen 2.895 N/A HIS 79.A N VAL 9.A O no hydrogen 2.926 N/A HIS 79.A NE2 HIS 236.A O no hydrogen 2.668 N/A ALA 80.A N LEU 103.A O no hydrogen 3.142 N/A LEU 81.A N THR 11.A OG1 no hydrogen 3.045 N/A GLY 82.A N HIS 79.A O no hydrogen 2.694 N/A GLY 83.A N ALA 80.A O no hydrogen 2.981 N/A LEU 84.A N LEU 81.A O no hydrogen 3.068 N/A ILE 86.A N GLY 82.A O no hydrogen 3.046 N/A SER 87.A N GLY 83.A O no hydrogen 2.966 N/A SER 87.A OG GLY 83.A O no hydrogen 2.628 N/A LYS 88.A N LEU 84.A O no hydrogen 3.173 N/A LYS 88.A NZ GLU 187.A O no hydrogen 2.913 N/A ALA 89.A N ALA 85.A O no hydrogen 3.052 N/A MET 90.A N ILE 86.A O no hydrogen 2.834 N/A GLU 91.A N SER 87.A O no hydrogen 3.064 N/A THR 92.A N LYS 88.A O no hydrogen 3.034 N/A THR 92.A OG1 LYS 88.A O no hydrogen 2.989 N/A PHE 93.A N ALA 89.A O no hydrogen 2.872 N/A GLU 95.A N GLU 95.A OE1.B no hydrogen 2.789 N/A LYS 96.A N PHE 93.A O no hydrogen 3.248 N/A LYS 96.A NZ MET 65.A O no hydrogen 2.862 N/A LYS 96.A NZ LEU 68.A O no hydrogen 2.655 N/A ILE 97.A N PRO 94.A O no hydrogen 3.423 N/A SER 98.A N ILE 74.A O no hydrogen 3.028 N/A ALA 100.A N LYS 199.A O no hydrogen 2.808 N/A VAL 101.A N LEU 76.A O no hydrogen 2.734 N/A PHE 102.A N VAL 201.A O no hydrogen 2.784 N/A LEU 103.A N GLY 78.A O no hydrogen 2.902 N/A SER 104.A N ILE 203.A O no hydrogen 2.926 N/A SER 104.A OG ALA 205.A O no hydrogen 3.020 N/A LEU 106.A N ALA 80.A O no hydrogen 2.830 N/A GLY 109.A N ILE 112.A O no hydrogen 2.948 N/A VAL 117.A N ASP 113.A O no hydrogen 3.174 N/A CYS 118.A N ALA 114.A O no hydrogen 3.303 N/A CYS 118.A SG ALA 114.A O no hydrogen 3.402 N/A THR 119.A N THR 115.A O no hydrogen 3.284 N/A THR 119.A OG1 THR 115.A O no hydrogen 2.706 N/A LYS 120.A N THR 116.A O no hydrogen 3.472 N/A ALA 121.A N VAL 117.A O no hydrogen 3.002 N/A GLY 122.A N CYS 118.A O no hydrogen 2.797 N/A SER 123.A N THR 119.A O no hydrogen 3.212 N/A SER 123.A OG LYS 120.A O no hydrogen 2.758 N/A ALA 124.A N ALA 121.A O no hydrogen 3.349 N/A VAL 125.A N GLY 122.A O no hydrogen 3.054 N/A LEU 126.A N GLY 122.A O no hydrogen 2.832 N/A GLN 128.A N VAL 125.A O no hydrogen 3.173 N/A GLN 128.A NE2 ASN 156.A OD1 no hydrogen 3.449 N/A ASN 131.A N GLN 128.A O no hydrogen 2.957 N/A ASN 131.A ND2 VAL 125.A O no hydrogen 2.856 N/A CYS 132.A N ILE 147.A O no hydrogen 3.090 N/A THR 134.A N THR 145.A O no hydrogen 2.896 N/A THR 134.A OG1 GLU 136.A OE1 no hydrogen 2.570 N/A THR 134.A OG1 GLU 136.A OE2 no hydrogen 3.442 N/A THR 134.A OG1 THR 145.A OG1 no hydrogen 2.407 N/A GLU 136.A N GLU 136.A OE1 no hydrogen 2.978 N/A ASN 137.A N THR 144.A OG1 no hydrogen 3.190 N/A GLY 138.A N TYR 135.A O no hydrogen 3.070 N/A ASN 141.A N GLY 138.A O no hydrogen 3.381 N/A ASN 141.A ND2 ASN 137.A O no hydrogen 2.707 N/A THR 144.A N THR 134.A O no hydrogen 2.668 N/A THR 145.A OG1 THR 134.A OG1 no hydrogen 2.407 N/A LEU 146.A N LEU 176.A O no hydrogen 2.796 N/A ILE 147.A N CYS 132.A O no hydrogen 2.767 N/A GLY 149.A N ASN 131.A OD1 no hydrogen 2.877 N/A LYS 151.A N ASP 130.A OD2 no hydrogen 2.742 N/A PHE 152.A N ASP 130.A OD1 no hydrogen 2.803 N/A LEU 153.A N GLY 149.A O no hydrogen 3.017 N/A ALA 154.A N PRO 150.A O no hydrogen 2.998 N/A THR 155.A N LYS 151.A O no hydrogen 2.847 N/A THR 155.A OG1 LYS 151.A O no hydrogen 2.893 N/A ASN 156.A N PHE 152.A O no hydrogen 2.802 N/A VAL 157.A N LEU 153.A O no hydrogen 3.241 N/A TYR 158.A N LEU 153.A O no hydrogen 2.704 N/A TYR 158.A OH HIS 14.A NE2 no hydrogen 2.769 N/A LEU 160.A N ASP 235.A OD2 no hydrogen 2.906 N/A SER 161.A N TYR 158.A O no hydrogen 2.969 N/A SER 161.A OG ASP 235.A OD1 no hydrogen 3.534 N/A SER 161.A OG ASP 235.A OD2 no hydrogen 2.774 N/A GLU 164.A N GLU 164.A OE2 no hydrogen 2.840 N/A ASP 165.A N PRO 162.A O no hydrogen 3.060 N/A ALA 167.A N ILE 163.A O no hydrogen 3.157 N/A LEU 168.A N GLU 164.A O no hydrogen 2.874 N/A ALA 169.A N ASP 165.A O no hydrogen 2.965 N/A THR 170.A N LEU 166.A O no hydrogen 2.929 N/A THR 170.A OG1 LEU 166.A O no hydrogen 3.396 N/A THR 170.A OG1 ALA 167.A O no hydrogen 2.617 N/A ALA 171.A N ALA 167.A O no hydrogen 3.225 N/A ALA 171.A N LEU 168.A O no hydrogen 3.172 N/A LEU 172.A N ALA 169.A O no hydrogen 2.978 N/A VAL 173.A N ALA 169.A O no hydrogen 2.852 N/A ARG 174.A N PHE 13.A O no hydrogen 3.112 N/A ARG 174.A NH1 GLY 42.A O no hydrogen 3.012 N/A ARG 174.A NH1 ASN 44.A O no hydrogen 2.927 N/A ARG 174.A NH2 LYS 46.A O no hydrogen 2.875 N/A LEU 176.A N LEU 146.A O no hydrogen 2.936 N/A LEU 178.A N THR 144.A O no hydrogen 2.844 N/A TYR 179.A N TYR 177.A O no hydrogen 3.023 N/A TYR 179.A OH ILE 51.A O no hydrogen 2.743 N/A ILE 184.A N LEU 180.A O no hydrogen 3.023 N/A SER 185.A N ALA 181.A O no hydrogen 2.992 N/A SER 185.A OG ALA 181.A O no hydrogen 3.118 N/A SER 185.A OG GLU 182.A O no hydrogen 2.928 N/A LYS 186.A N GLU 182.A O no hydrogen 3.079 N/A GLU 187.A N ASP 183.A O no hydrogen 3.007 N/A VAL 188.A N ILE 184.A O no hydrogen 2.877 N/A SER 191.A N GLU 91.A OE2 no hydrogen 2.999 N/A SER 191.A OG GLU 91.A OE1 no hydrogen 2.659 N/A SER 191.A OG GLU 91.A OE2 no hydrogen 3.534 N/A ARG 194.A N SER 191.A O no hydrogen 3.303 N/A TYR 195.A N GLU 91.A OE2 no hydrogen 2.961 N/A GLY 196.A N SER 191.A O no hydrogen 3.103 N/A SER 197.A N ARG 194.A O no hydrogen 3.181 N/A SER 197.A OG LYS 193.A O no hydrogen 3.392 N/A SER 197.A OG ARG 194.A O no hydrogen 2.702 N/A VAL 198.A N TYR 195.A O no hydrogen 3.139 N/A ARG 200.A N ASP 226.A OD2 no hydrogen 2.782 N/A ARG 200.A NH1 ASN 223.A O no hydrogen 3.048 N/A ARG 200.A NH2 PRO 224.A O no hydrogen 3.229 N/A VAL 201.A N ALA 100.A O no hydrogen 2.887 N/A PHE 202.A N GLU 227.A O no hydrogen 2.978 N/A ILE 203.A N PHE 102.A O no hydrogen 2.904 N/A VAL 204.A N LYS 229.A O no hydrogen 2.734 N/A ALA 205.A N SER 104.A OG no hydrogen 3.279 N/A LYS 212.A N ASP 209.A OD1 no hydrogen 3.112 N/A LYS 213.A N ASP 209.A O no hydrogen 3.175 N/A GLU 214.A N ALA 210.A O no hydrogen 2.978 N/A PHE 215.A N LEU 211.A O no hydrogen 3.014 N/A LEU 216.A N LYS 212.A O no hydrogen 2.991 N/A LYS 217.A N LYS 213.A O no hydrogen 2.848 N/A LYS 217.A NZ GLU 214.A OE2 no hydrogen 2.916 N/A LEU 218.A N GLU 214.A O no hydrogen 2.808 N/A MET 219.A N PHE 215.A O no hydrogen 3.082 N/A ILE 220.A N LEU 216.A O no hydrogen 3.060 N/A GLU 221.A N LYS 217.A O no hydrogen 2.881 N/A LYS 222.A N LEU 218.A O no hydrogen 2.953 N/A ASN 223.A N MET 219.A O no hydrogen 2.946 N/A ASN 223.A ND2 MET 107.A O no hydrogen 3.030 N/A ASN 223.A ND2 TYR 195.A OH no hydrogen 2.938 N/A ASP 226.A N ARG 200.A O no hydrogen 2.876 N/A LYS 229.A N PHE 202.A O no hydrogen 2.780 N/A ILE 231.A N VAL 204.A O no hydrogen 2.997 N/A GLY 233.A N GLU 207.A OE2 no hydrogen 3.155 N/A SER 234.A OG ASP 235.A O no hydrogen 2.663 N/A SER 234.A OG THR 238.A OG1 no hydrogen 2.803 N/A ASP 235.A N SER 241.A OG no hydrogen 3.388 N/A HIS 236.A N VAL 157.A O no hydrogen 3.269 N/A VAL 237.A N ASP 235.A OD1 no hydrogen 3.075 N/A THR 238.A OG1 SER 234.A OG no hydrogen 2.803 N/A MET 240.A N VAL 237.A O no hydrogen 2.819 N/A SER 241.A N VAL 237.A O no hydrogen 3.088 N/A SER 241.A OG ASP 235.A OD1 no hydrogen 2.791 N/A SER 241.A OG VAL 237.A O no hydrogen 3.315 N/A LYS 242.A N THR 238.A O no hydrogen 2.852 N/A GLN 245.A N GLN 245.A OE1 no hydrogen 2.851 N/A LEU 246.A N LYS 242.A O no hydrogen 2.966 N/A PHE 247.A N PRO 243.A O no hydrogen 2.896 N/A THR 248.A N GLN 244.A O no hydrogen 2.956 N/A THR 248.A OG1 GLN 244.A O no hydrogen 2.929 N/A THR 249.A N GLN 245.A O no hydrogen 2.961 N/A THR 249.A OG1 GLN 245.A O no hydrogen 2.898 N/A LEU 250.A N LEU 246.A O no hydrogen 2.910 N/A LEU 251.A N PHE 247.A O no hydrogen 3.024 N/A SER 252.A N THR 248.A O no hydrogen 3.022 N/A ILE 253.A N THR 249.A O no hydrogen 2.950 N/A ALA 254.A N LEU 250.A O no hydrogen 2.859 N/A ASN 255.A N LEU 251.A O no hydrogen 2.926 N/A LYS 256.A N SER 252.A O no hydrogen 3.096 N/A LYS 256.A N ILE 253.A O no hydrogen 3.169 N/A TYR 257.A N ILE 253.A O no hydrogen 3.165 N/A TYR 257.A OH GLU 227.A OE2 no hydrogen 2.744 N/A