Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1tsi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLN 224.A O no hydrogen 2.997 N/A LYS 2.A NZ VAL 227.A O no hydrogen 3.071 N/A ALA 7.A N GLN 37.A O no hydrogen 2.760 N/A ALA 8.A N PHE 230.A O no hydrogen 3.069 N/A ALA 9.A N VAL 39.A O no hydrogen 2.723 N/A ASN 10.A N VAL 232.A O no hydrogen 3.000 N/A TRP 11.A N ALA 41.A O no hydrogen 3.050 N/A TRP 11.A NE1 SER 236.A O no hydrogen 3.145 N/A LYS 12.A N ASN 10.A OD1 no hydrogen 3.059 N/A LYS 12.A NZ GLU 96.A OE2 no hydrogen 3.100 N/A ASN 14.A ND2 TRP 11.A O no hydrogen 3.561 N/A SER 16.A OG SER 19.A OG no hydrogen 2.514 N/A SER 19.A N SER 16.A OG no hydrogen 3.253 N/A SER 19.A OG SER 16.A OG no hydrogen 2.514 N/A LEU 20.A N SER 16.A O no hydrogen 2.881 N/A SER 21.A N GLN 17.A O no hydrogen 3.117 N/A SER 21.A OG GLN 17.A O no hydrogen 2.335 N/A GLU 22.A N GLN 18.A O no hydrogen 3.445 N/A LEU 23.A N SER 19.A O no hydrogen 3.221 N/A ILE 24.A N LEU 20.A O no hydrogen 2.936 N/A ASP 25.A N SER 21.A O no hydrogen 3.050 N/A LEU 26.A N GLU 22.A O no hydrogen 3.131 N/A PHE 27.A N LEU 23.A O no hydrogen 2.766 N/A ASN 28.A N ILE 24.A O no hydrogen 2.644 N/A ASN 28.A ND2 ARG 53.A O no hydrogen 3.341 N/A SER 29.A N ASP 25.A O no hydrogen 3.224 N/A SER 29.A N LEU 26.A O no hydrogen 3.017 N/A SER 29.A OG ASP 25.A O no hydrogen 3.117 N/A SER 29.A OG LEU 26.A O no hydrogen 2.875 N/A THR 30.A N PHE 27.A O no hydrogen 2.990 N/A THR 30.A OG1 LEU 26.A O no hydrogen 3.099 N/A THR 30.A OG1 PHE 27.A O no hydrogen 3.338 N/A GLN 37.A N PRO 5.A O no hydrogen 3.180 N/A GLN 37.A NE2 CYS 38.A O no hydrogen 3.471 N/A CYS 38.A N LYS 58.A O no hydrogen 2.917 N/A VAL 39.A N ALA 7.A O no hydrogen 2.511 N/A VAL 40.A N VAL 60.A O no hydrogen 3.121 N/A ALA 41.A N ALA 9.A O no hydrogen 2.770 N/A SER 42.A OG THR 43.A O no hydrogen 3.434 N/A THR 43.A OG1 HIS 46.A ND1 no hydrogen 3.301 N/A HIS 46.A N THR 43.A O no hydrogen 3.168 N/A LEU 47.A N PHE 44.A O no hydrogen 3.063 N/A THR 50.A N HIS 46.A O no hydrogen 3.156 N/A THR 50.A OG1 HIS 46.A O no hydrogen 2.973 N/A LYS 51.A N LEU 47.A O no hydrogen 2.570 N/A GLU 52.A N ALA 48.A O no hydrogen 3.006 N/A ARG 53.A N THR 50.A O no hydrogen 3.489 N/A ARG 53.A NE ASP 25.A OD1 no hydrogen 3.368 N/A LEU 54.A N THR 50.A O no hydrogen 3.284 N/A SER 55.A N ASN 28.A OD1 no hydrogen 2.754 N/A HIS 56.A N ASN 28.A OD1 no hydrogen 3.341 N/A LYS 58.A NZ ILE 32.A O no hydrogen 3.467 N/A LYS 58.A NZ HIS 34.A O no hydrogen 2.910 N/A VAL 60.A N CYS 38.A O no hydrogen 3.290 N/A ALA 62.A N VAL 40.A O no hydrogen 2.978 N/A ALA 63.A N TRP 89.A O no hydrogen 3.322 N/A GLN 64.A NE2 LYS 12.A O no hydrogen 3.217 N/A GLN 64.A NE2 ALA 41.A O no hydrogen 2.405 N/A ILE 67.A N VAL 77.A O no hydrogen 3.187 N/A SER 70.A OG SER 78.A OG no hydrogen 3.060 N/A PHE 73.A N GLY 71.A O no hydrogen 3.171 N/A GLU 76.A N PHE 73.A O no hydrogen 3.088 N/A SER 78.A OG SER 70.A OG no hydrogen 3.060 N/A LEU 79.A N ILE 67.A O no hydrogen 2.840 N/A ILE 81.A N SER 78.A O no hydrogen 2.975 N/A LEU 82.A N SER 78.A O no hydrogen 3.327 N/A LYS 83.A N LEU 79.A O no hydrogen 2.690 N/A ASP 84.A N PRO 80.A O no hydrogen 2.931 N/A GLY 86.A N LEU 82.A O no hydrogen 3.034 N/A GLY 86.A N LYS 83.A O no hydrogen 3.030 N/A VAL 87.A N LEU 82.A O no hydrogen 2.905 N/A ASN 88.A ND2 GLY 119.A O no hydrogen 2.750 N/A VAL 91.A N ALA 63.A O no hydrogen 2.895 N/A LEU 92.A N ILE 123.A O no hydrogen 3.356 N/A SER 95.A N GLU 166.A OE1 no hydrogen 2.892 N/A SER 95.A OG GLU 166.A OE2 no hydrogen 2.869 N/A GLU 96.A N HIS 94.A ND1 no hydrogen 2.659 N/A ARG 97.A NE GLU 103.A OE2 no hydrogen 3.142 N/A ARG 98.A N HIS 94.A O no hydrogen 2.772 N/A ARG 98.A NE GLY 93.A O no hydrogen 2.596 N/A ARG 98.A NH1 ASN 105.A OD1 no hydrogen 3.388 N/A ARG 98.A NH2 CYS 125.A O no hydrogen 3.496 N/A ALA 99.A N SER 95.A O no hydrogen 3.142 N/A TYR 100.A N GLU 96.A O no hydrogen 2.986 N/A TYR 101.A N ARG 97.A O no hydrogen 3.070 N/A GLU 103.A N ARG 97.A O no hydrogen 3.471 N/A THR 104.A OG1 GLU 106.A OE1 no hydrogen 3.534 N/A VAL 108.A N THR 104.A O no hydrogen 2.818 N/A ALA 109.A N ASN 105.A O no hydrogen 2.846 N/A ASP 110.A N ILE 107.A O no hydrogen 3.376 N/A LYS 111.A N ILE 107.A O no hydrogen 3.209 N/A LYS 111.A NZ ASN 65.A OD1 no hydrogen 3.217 N/A LYS 111.A NZ ALA 66.A O no hydrogen 2.679 N/A LYS 111.A NZ GLU 103.A OE2 no hydrogen 3.257 N/A VAL 112.A N VAL 108.A O no hydrogen 2.874 N/A ALA 113.A N ALA 109.A O no hydrogen 3.166 N/A ALA 114.A N ASP 110.A O no hydrogen 2.968 N/A ALA 115.A N LYS 111.A O no hydrogen 3.083 N/A VAL 116.A N VAL 112.A O no hydrogen 3.165 N/A ALA 117.A N ALA 113.A O no hydrogen 2.635 N/A SER 118.A N ALA 115.A O no hydrogen 2.809 N/A SER 118.A OG ALA 114.A O no hydrogen 3.211 N/A SER 118.A OG ALA 115.A O no hydrogen 3.324 N/A GLY 119.A N VAL 116.A O no hydrogen 2.723 N/A PHE 120.A N ALA 115.A O no hydrogen 3.022 N/A MET 121.A N ASN 88.A O no hydrogen 3.062 N/A VAL 122.A N LYS 160.A O no hydrogen 3.235 N/A ILE 123.A N ILE 90.A O no hydrogen 3.179 N/A CYS 125.A N LEU 92.A O no hydrogen 2.743 N/A CYS 125.A SG LEU 92.A O no hydrogen 4.030 N/A CYS 125.A SG ILE 123.A O no hydrogen 3.247 N/A ILE 126.A N ALA 164.A O no hydrogen 3.449 N/A GLY 127.A N GLN 145.A OE1 no hydrogen 3.049 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 3.031 N/A THR 129.A N GLU 132.A OE1 no hydrogen 2.759 N/A THR 129.A OG1 GLN 131.A OE1 no hydrogen 2.600 N/A ARG 133.A N THR 129.A O no hydrogen 3.000 N/A ARG 133.A NH1 GLU 128.A OE2 no hydrogen 2.981 N/A GLU 134.A N LEU 130.A O no hydrogen 3.225 N/A SER 135.A N GLN 131.A O no hydrogen 3.291 N/A SER 135.A OG GLN 131.A O no hydrogen 2.813 N/A SER 135.A OG GLU 132.A O no hydrogen 2.575 N/A GLY 136.A N ARG 133.A O no hydrogen 2.858 N/A THR 138.A OG1 GLU 128.A OE2 no hydrogen 2.492 N/A VAL 141.A N ARG 137.A O no hydrogen 2.707 N/A VAL 142.A N THR 138.A O no hydrogen 2.851 N/A LEU 143.A N ALA 139.A O no hydrogen 3.259 N/A THR 144.A OG1 VAL 140.A O no hydrogen 2.578 N/A GLN 145.A NE2 GLY 127.A O no hydrogen 3.250 N/A ALA 147.A N LEU 143.A O no hydrogen 2.564 N/A ALA 148.A N THR 144.A O no hydrogen 2.901 N/A ILE 149.A N ILE 146.A O no hydrogen 3.079 N/A ALA 150.A N ILE 146.A O no hydrogen 3.004 N/A LYS 151.A N ALA 147.A O no hydrogen 2.849 N/A LYS 152.A NZ ASP 110.A OD1 no hydrogen 2.897 N/A LEU 153.A N ALA 150.A O no hydrogen 2.656 N/A LYS 154.A N ASP 157.A OD2 no hydrogen 3.156 N/A LYS 154.A NZ ASP 157.A OD2 no hydrogen 3.289 N/A LYS 155.A NZ ILE 197.A O no hydrogen 3.302 N/A TRP 158.A N LYS 155.A O no hydrogen 3.148 N/A ALA 159.A N ALA 156.A O no hydrogen 3.206 N/A LYS 160.A N ASP 157.A O no hydrogen 2.859 N/A VAL 161.A N TRP 158.A O no hydrogen 3.504 N/A VAL 162.A N VAL 122.A O no hydrogen 2.812 N/A ILE 163.A N ARG 206.A O no hydrogen 3.064 N/A ALA 164.A N ALA 124.A O no hydrogen 3.340 N/A TYR 165.A N LEU 208.A O no hydrogen 2.549 N/A TYR 165.A OH GLU 128.A OE1 no hydrogen 2.594 N/A GLU 166.A N ILE 126.A O no hydrogen 2.868 N/A VAL 168.A N GLU 166.A O no hydrogen 2.798 N/A TRP 169.A N GLU 128.A O no hydrogen 2.971 N/A ALA 170.A N PRO 167.A O no hydrogen 2.923 N/A ILE 171.A N PRO 167.A O no hydrogen 3.120 N/A ILE 171.A N VAL 168.A O no hydrogen 2.905 N/A THR 173.A OG1 TRP 169.A O no hydrogen 2.800 N/A LYS 175.A NZ THR 173.A O no hydrogen 2.741 N/A THR 178.A N GLN 181.A OE1 no hydrogen 3.080 N/A THR 178.A OG1 GLN 181.A OE1 no hydrogen 2.590 N/A GLN 181.A N THR 178.A O no hydrogen 3.164 N/A ALA 182.A N THR 178.A O no hydrogen 3.351 N/A GLN 183.A N PRO 179.A O no hydrogen 2.764 N/A HIS 186.A N ALA 182.A O no hydrogen 2.710 N/A HIS 186.A ND1 ASP 226.A O no hydrogen 3.262 N/A ALA 187.A N GLN 183.A O no hydrogen 2.626 N/A LEU 188.A N GLU 184.A O no hydrogen 3.102 N/A ILE 189.A N ALA 185.A O no hydrogen 3.391 N/A ARG 190.A N HIS 186.A O no hydrogen 2.965 N/A ARG 190.A NE ARG 202.A O no hydrogen 2.721 N/A ARG 190.A NH1 ASN 228.A OD1 no hydrogen 3.389 N/A ARG 190.A NH2 ARG 202.A O no hydrogen 3.074 N/A ARG 190.A NH2 ASN 228.A OD1 no hydrogen 3.486 N/A SER 191.A N ALA 187.A O no hydrogen 3.056 N/A TRP 192.A N LEU 188.A O no hydrogen 2.939 N/A VAL 193.A N ILE 189.A O no hydrogen 3.215 N/A SER 194.A N ARG 190.A O no hydrogen 2.869 N/A SER 195.A N SER 191.A O no hydrogen 2.497 N/A LYS 196.A N TRP 192.A O no hydrogen 2.540 N/A ILE 197.A N VAL 193.A O no hydrogen 2.491 N/A GLY 198.A N VAL 193.A O no hydrogen 3.201 N/A ASP 200.A N ASP 200.A OD1 no hydrogen 2.532 N/A ARG 202.A N GLY 198.A O no hydrogen 3.303 N/A GLU 204.A N VAL 201.A O no hydrogen 2.314 N/A LEU 205.A N VAL 201.A O no hydrogen 2.995 N/A ARG 206.A NH1 GLN 4.A O no hydrogen 2.981 N/A ARG 206.A NH1 GLN 4.A OE1 no hydrogen 3.196 N/A ILE 207.A N ASN 228.A OD1 no hydrogen 2.714 N/A LEU 208.A N ILE 163.A O no hydrogen 2.532 N/A GLY 210.A N TYR 165.A O no hydrogen 3.024 N/A ASN 214.A N ASN 217.A OD1 no hydrogen 2.931 N/A GLY 215.A N GLU 240.A OE1 no hydrogen 2.952 N/A LYS 216.A N ASN 214.A OD1 no hydrogen 3.175 N/A ASN 217.A N ASN 214.A OD1 no hydrogen 3.005 N/A ASN 217.A ND2 SER 212.A O no hydrogen 3.167 N/A ALA 218.A N ASN 214.A O no hydrogen 2.947 N/A THR 220.A OG1 ASN 217.A O no hydrogen 3.542 N/A TYR 222.A N ALA 218.A O no hydrogen 2.655 N/A GLN 223.A N ARG 219.A O no hydrogen 2.823 N/A GLN 224.A N LEU 221.A O no hydrogen 3.096 N/A GLN 224.A NE2 THR 220.A O no hydrogen 3.233 N/A GLN 224.A NE2 GLN 223.A OE1 no hydrogen 3.134 N/A ASP 226.A N GLN 183.A OE1 no hydrogen 2.660 N/A VAL 227.A N GLN 224.A O no hydrogen 2.928 N/A ASN 228.A N ILE 207.A O no hydrogen 2.974 N/A PHE 230.A N ILE 6.A O no hydrogen 2.881 N/A LEU 231.A N TYR 209.A O no hydrogen 3.120 N/A VAL 232.A N ALA 8.A O no hydrogen 3.229 N/A SER 236.A N GLY 233.A O no hydrogen 2.980 N/A SER 236.A OG ASN 10.A O no hydrogen 2.746 N/A LEU 237.A N GLY 234.A O no hydrogen 3.371 N/A LYS 238.A NZ GLU 240.A OE2 no hydrogen 2.896 N/A PHE 241.A N LYS 238.A O no hydrogen 3.253 N/A VAL 242.A N PRO 239.A O no hydrogen 2.575 N/A ILE 244.A N GLU 240.A O no hydrogen 3.296 N/A ILE 245.A N PHE 241.A O no hydrogen 3.056 N/A LYS 246.A N VAL 242.A O no hydrogen 3.031 N/A LYS 246.A NZ SER 31.A O no hydrogen 3.273 N/A ALA 247.A N ASP 243.A O no hydrogen 3.010 N/A THR 248.A N ILE 245.A O no hydrogen 3.293 N/A THR 248.A OG1 ILE 245.A O no hydrogen 2.343 N/A