Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tha_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N ASP 3.A OD2 no hydrogen 3.252 N/A ARG 5.A NH1 ASN 195.A O no hydrogen 3.035 N/A ARG 5.A NH2 ASN 195.A O no hydrogen 2.860 N/A LYS 6.A N ASP 3.A O no hydrogen 2.990 N/A PHE 7.A N PHE 4.A O no hydrogen 3.107 N/A ALA 12.A N ASP 217.A O no hydrogen 2.862 N/A ASN 13.A N ASP 40.A OD2 no hydrogen 2.738 N/A ASN 13.A ND2 PRO 38.A O no hydrogen 2.867 N/A VAL 14.A N VAL 219.A O no hydrogen 2.861 N/A ALA 15.A N ILE 41.A O no hydrogen 2.981 N/A TYR 16.A N VAL 221.A O no hydrogen 3.157 N/A THR 17.A N GLU 43.A O no hydrogen 3.174 N/A LEU 19.A N GLY 45.A O no hydrogen 2.987 N/A GLY 20.A N SER 27.A OG no hydrogen 2.855 N/A TYR 21.A N VAL 18.A O no hydrogen 3.044 N/A GLN 25.A NE2.B GLN 25.A O no hydrogen 2.934 N/A SER 27.A N ASN 23.A O no hydrogen 3.169 N/A SER 27.A OG ASN 23.A O no hydrogen 3.565 N/A GLU 28.A N LEU 24.A O no hydrogen 2.818 N/A ALA 29.A N GLN 25.A O no hydrogen 3.001 N/A PHE 30.A N THR 26.A O no hydrogen 2.757 N/A LEU 31.A N SER 27.A O no hydrogen 2.724 N/A GLN 32.A N GLU 28.A O no hydrogen 2.901 N/A ARG 33.A N PHE 30.A O no hydrogen 2.872 N/A ARG 33.A NH1 ASP 235.A OD1 no hydrogen 2.908 N/A ARG 33.A NH2 ASP 235.A OD1 no hydrogen 3.280 N/A LEU 34.A N LEU 31.A O no hydrogen 3.302 N/A GLN 36.A N ARG 33.A O no hydrogen 2.985 N/A SER 37.A N LEU 34.A O no hydrogen 2.867 N/A SER 37.A OG LEU 34.A O no hydrogen 2.936 N/A ILE 39.A N SER 37.A OG no hydrogen 3.048 N/A ASP 40.A N ASN 13.A O no hydrogen 2.827 N/A ILE 41.A N ASN 13.A O no hydrogen 3.080 N/A LEU 42.A N ALA 87.A O no hydrogen 2.996 N/A GLU 43.A N ALA 15.A O no hydrogen 2.726 N/A LEU 44.A N VAL 89.A O no hydrogen 2.606 N/A GLY 45.A N THR 17.A O no hydrogen 2.762 N/A ASP 60.A N GLU 56.A O no hydrogen 2.862 N/A ALA 61.A N ILE 57.A O no hydrogen 3.473 N/A ALA 62.A N ILE 58.A O no hydrogen 3.232 N/A LYS 63.A N ALA 59.A O no hydrogen 3.306 N/A LYS 63.A NZ PRO 51.A O no hydrogen 3.115 N/A ILE 64.A N ASP 60.A O no hydrogen 3.104 N/A ALA 65.A N ALA 61.A O no hydrogen 2.722 N/A LEU 66.A N LYS 63.A O no hydrogen 3.024 N/A ASP 67.A N LYS 63.A O no hydrogen 3.109 N/A GLN 68.A N ILE 64.A O no hydrogen 3.197 N/A GLY 69.A N LEU 66.A O no hydrogen 2.798 N/A VAL 70.A N ALA 65.A O no hydrogen 3.292 N/A ASP 71.A N SER 74.A OG no hydrogen 3.084 N/A SER 74.A N ASP 71.A OD1 no hydrogen 2.846 N/A SER 74.A OG ASP 71.A O no hydrogen 3.061 N/A SER 74.A OG ASP 71.A OD1 no hydrogen 2.950 N/A VAL 75.A N ASP 71.A O no hydrogen 2.921 N/A PHE 76.A N ILE 72.A O no hydrogen 2.684 N/A GLU 77.A N HIS 73.A O no hydrogen 2.763 N/A LEU 78.A N SER 74.A O no hydrogen 2.894 N/A LEU 79.A N VAL 75.A O no hydrogen 2.795 N/A ALA 80.A N PHE 76.A O no hydrogen 3.226 N/A ARG 81.A N LEU 78.A O no hydrogen 2.756 N/A ARG 81.A NH1 GLU 28.A OE1 no hydrogen 2.663 N/A ILE 82.A N LEU 79.A O no hydrogen 3.416 N/A LYS 83.A N GLN 32.A OE1 no hydrogen 3.155 N/A LYS 83.A NZ ALA 80.A O no hydrogen 3.493 N/A LYS 83.A NZ ILE 82.A O no hydrogen 2.995 N/A THR 84.A OG1 ASP 35.A OD1 no hydrogen 2.917 N/A LYS 85.A N ASP 35.A OD1 no hydrogen 3.011 N/A LYS 86.A N THR 84.A OG1 no hydrogen 3.234 N/A LYS 86.A NZ LEU 34.A O no hydrogen 3.377 N/A LYS 86.A NZ SER 37.A O no hydrogen 3.174 N/A LYS 86.A NZ ILE 39.A O no hydrogen 2.572 N/A ALA 87.A N ASP 40.A O no hydrogen 3.196 N/A VAL 89.A N LEU 42.A O no hydrogen 2.981 N/A PHE 90.A N ALA 115.A O no hydrogen 3.054 N/A LEU 95.A N TYR 92.A O no hydrogen 3.213 N/A ILE 96.A N TYR 93.A O no hydrogen 2.924 N/A PHE 97.A N TYR 93.A O no hydrogen 2.883 N/A SER 98.A N ASN 94.A O no hydrogen 3.173 N/A TYR 99.A N LEU 95.A O no hydrogen 3.373 N/A GLY 100.A N ILE 96.A O no hydrogen 2.859 N/A PHE 104.A N GLY 100.A O no hydrogen 2.784 N/A VAL 105.A N LEU 101.A O no hydrogen 3.043 N/A LYS 106.A N GLU 102.A O no hydrogen 2.842 N/A LYS 107.A N LYS 103.A O no hydrogen 2.834 N/A ALA 108.A N PHE 104.A O no hydrogen 2.943 N/A LYS 109.A N VAL 105.A O no hydrogen 3.056 N/A LYS 109.A NZ ASN 137.A O no hydrogen 3.445 N/A SER 110.A N LYS 106.A O no hydrogen 2.996 N/A SER 110.A OG LYS 107.A O no hydrogen 2.806 N/A LEU 111.A N LYS 107.A O no hydrogen 2.934 N/A LEU 111.A N ALA 108.A O no hydrogen 3.008 N/A GLY 112.A N LYS 109.A O no hydrogen 3.129 N/A ILE 113.A N ALA 108.A O no hydrogen 2.976 N/A CYS 114.A N LEU 88.A O no hydrogen 3.074 N/A CYS 114.A SG LEU 88.A O no hydrogen 3.461 N/A LEU 116.A N ALA 139.A O no hydrogen 2.731 N/A ILE 117.A N PHE 90.A O no hydrogen 2.889 N/A LEU 121.A N VAL 118.A O no hydrogen 3.001 N/A SER 122.A N GLU 125.A OE2 no hydrogen 3.371 N/A SER 122.A OG GLU 125.A OE2 no hydrogen 3.278 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 2.792 N/A GLU 125.A N SER 122.A O no hydrogen 3.037 N/A SER 126.A N PHE 123.A O no hydrogen 3.017 N/A SER 126.A OG SER 122.A O no hydrogen 2.692 N/A ILE 130.A N SER 126.A O no hydrogen 2.781 N/A LYS 131.A N ASP 127.A O no hydrogen 3.063 N/A LYS 131.A NZ ASP 128.A OD1 no hydrogen 3.469 N/A GLU 132.A N ASP 128.A O no hydrogen 3.353 N/A CYS 133.A N LEU 129.A O no hydrogen 3.017 N/A CYS 133.A SG LEU 129.A O no hydrogen 3.415 N/A GLU 134.A N ILE 130.A O no hydrogen 3.059 N/A ARG 135.A N LYS 131.A O no hydrogen 3.021 N/A TYR 136.A N GLU 132.A O no hydrogen 3.276 N/A TYR 136.A N CYS 133.A O no hydrogen 3.289 N/A TYR 136.A OH GLU 102.A OE2 no hydrogen 2.443 N/A ASN 137.A N GLU 134.A O no hydrogen 3.074 N/A ASN 137.A ND2 GLU 134.A O no hydrogen 3.250 N/A ILE 138.A N CYS 133.A O no hydrogen 2.735 N/A ALA 139.A N CYS 114.A O no hydrogen 3.307 N/A ILE 141.A N LEU 116.A O no hydrogen 2.735 N/A VAL 144.A N TYR 165.A O no hydrogen 2.663 N/A SER 145.A N THR 148.A OG1 no hydrogen 2.936 N/A SER 145.A OG THR 147.A OG1 no hydrogen 3.021 N/A VAL 146.A N LEU 167.A O no hydrogen 3.276 N/A THR 147.A N SER 145.A OG no hydrogen 3.288 N/A THR 147.A OG1 SER 145.A OG no hydrogen 3.021 N/A THR 148.A N SER 145.A O no hydrogen 3.221 N/A THR 148.A OG1 SER 145.A O no hydrogen 3.231 N/A ARG 152.A N PRO 149.A O no hydrogen 3.064 N/A ARG 152.A NH1 GLU 124.A OE2 no hydrogen 2.788 N/A ARG 152.A NH2 GLU 124.A OE1 no hydrogen 2.965 N/A ARG 152.A NH2 GLU 124.A OE2 no hydrogen 3.344 N/A VAL 153.A N PRO 149.A O no hydrogen 3.124 N/A LYS 154.A N LYS 150.A O no hydrogen 3.164 N/A LYS 155.A N GLU 151.A O no hydrogen 3.239 N/A LEU 156.A N ARG 152.A O no hydrogen 2.974 N/A VAL 157.A N VAL 153.A O no hydrogen 3.001 N/A LYS 158.A N LYS 154.A O no hydrogen 3.240 N/A ALA 160.A N VAL 157.A O no hydrogen 3.067 N/A LYS 161.A NZ HIS 159.A O no hydrogen 3.506 N/A ILE 164.A N PRO 197.A O no hydrogen 2.980 N/A TYR 165.A N THR 142.A O no hydrogen 3.059 N/A LEU 166.A N PHE 199.A O no hydrogen 2.777 N/A LEU 167.A N VAL 144.A O no hydrogen 2.636 N/A ALA 168.A N GLY 201.A O no hydrogen 2.971 N/A ILE 172.A N GLU 179.A OE2 no hydrogen 2.837 N/A ILE 182.A N VAL 178.A O no hydrogen 2.949 N/A GLN 184.A N GLU 180.A O no hydrogen 2.853 N/A GLN 184.A NE2 GLN 184.A O no hydrogen 3.512 N/A GLN 184.A NE2 VAL 215.A O no hydrogen 3.259 N/A ASP 185.A N ALA 181.A O no hydrogen 3.079 N/A LYS 186.A N LEU 183.A O no hydrogen 3.174 N/A LYS 186.A NZ THR 148.A O no hydrogen 2.524 N/A LYS 186.A NZ GLU 189.A OE1 no hydrogen 2.969 N/A VAL 187.A N LEU 183.A O no hydrogen 3.052 N/A LYS 188.A N GLN 184.A O no hydrogen 2.976 N/A GLU 189.A N ASP 185.A O no hydrogen 2.943 N/A ILE 190.A N LYS 186.A O no hydrogen 2.941 N/A ARG 191.A N VAL 187.A O no hydrogen 2.906 N/A ARG 191.A NH1 ASP 217.A OD2 no hydrogen 2.596 N/A ARG 191.A NH2 ASP 217.A OD1 no hydrogen 3.075 N/A ARG 191.A NH2 ASP 217.A OD2 no hydrogen 3.006 N/A SER 192.A N GLU 189.A O no hydrogen 3.308 N/A SER 192.A OG LYS 188.A O no hydrogen 3.543 N/A SER 192.A OG GLU 189.A O no hydrogen 2.935 N/A PHE 193.A N ILE 190.A O no hydrogen 2.753 N/A THR 194.A N ILE 190.A O no hydrogen 3.340 N/A LEU 196.A N THR 194.A OG1 no hydrogen 3.171 N/A ILE 198.A N ASP 217.A OD2 no hydrogen 2.976 N/A PHE 199.A N ILE 164.A O no hydrogen 2.897 N/A VAL 200.A N GLY 218.A O no hydrogen 3.013 N/A GLY 201.A N LEU 166.A O no hydrogen 2.985 N/A GLN 205.A N ASP 209.A OD2 no hydrogen 2.993 N/A GLN 208.A N ASN 206.A OD1 no hydrogen 2.856 N/A ASP 209.A N ASN 206.A O no hydrogen 2.791 N/A VAL 210.A N ASN 206.A O no hydrogen 3.180 N/A LYS 211.A N ASN 207.A O no hydrogen 3.201 N/A ARG 212.A N GLN 208.A O no hydrogen 3.374 N/A ARG 213.A NH2 ASN 13.A OD1 no hydrogen 2.716 N/A ARG 213.A NH2 PHE 244.A O no hydrogen 3.085 N/A LYS 214.A N ARG 212.A O no hydrogen 2.928 N/A ASP 217.A N ILE 198.A O no hydrogen 2.854 N/A VAL 219.A N ALA 12.A O no hydrogen 2.870 N/A ILE 220.A N VAL 200.A O no hydrogen 2.860 N/A VAL 221.A N VAL 14.A O no hydrogen 2.889 N/A SER 224.A OG GLN 205.A O no hydrogen 3.183 N/A VAL 226.A N GLY 222.A O no hydrogen 3.156 N/A LYS 227.A N THR 223.A O no hydrogen 3.051 N/A CYS 228.A N ILE 225.A O no hydrogen 3.043 N/A CYS 228.A SG SER 224.A O no hydrogen 3.347 N/A PHE 229.A N VAL 226.A O no hydrogen 3.091 N/A LYS 230.A N LYS 227.A O no hydrogen 3.073 N/A ILE 236.A N ASN 233.A O no hydrogen 3.153 N/A ILE 237.A N ASN 233.A O no hydrogen 3.297 N/A ASP 239.A N ILE 236.A O no hydrogen 2.995 N/A ILE 240.A N ILE 237.A O no hydrogen 3.008 N/A GLU 242.A N LYS 238.A O no hydrogen 2.883 N/A ILE 243.A N ASP 239.A O no hydrogen 2.798 N/A PHE 244.A N ILE 240.A O no hydrogen 3.048 N/A