Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6w85_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N SER 1.A O no hydrogen 3.397 N/A VAL 7.A N SER 3.A O no hydrogen 3.161 N/A MET 8.A N ALA 4.A O no hydrogen 3.430 N/A LYS 9.A N ILE 5.A O no hydrogen 2.955 N/A TRP 10.A N ASN 6.A O no hydrogen 3.155 N/A LYS 11.A N VAL 7.A O no hydrogen 3.114 N/A THR 12.A OG1 MET 8.A O no hydrogen 2.541 N/A THR 12.A OG1 LYS 9.A O no hydrogen 3.232 N/A VAL 13.A N LYS 9.A O no hydrogen 2.866 N/A SER 14.A N TRP 10.A O no hydrogen 2.818 N/A SER 14.A OG TRP 10.A O no hydrogen 2.717 N/A SER 14.A OG LYS 11.A O no hydrogen 3.467 N/A THR 15.A OG1 LYS 11.A O no hydrogen 2.735 N/A THR 15.A OG1 THR 12.A O no hydrogen 2.573 N/A ILE 16.A N THR 12.A O no hydrogen 3.062 N/A PHE 17.A N VAL 13.A O no hydrogen 2.789 N/A LEU 18.A N SER 14.A O no hydrogen 3.056 N/A VAL 19.A N THR 15.A O no hydrogen 3.152 N/A VAL 20.A N ILE 16.A O no hydrogen 2.884 N/A VAL 21.A N PHE 17.A O no hydrogen 2.849 N/A LEU 22.A N LEU 18.A O no hydrogen 2.943 N/A TYR 23.A N VAL 19.A O no hydrogen 2.809 N/A LEU 24.A N VAL 20.A O no hydrogen 2.726 N/A ILE 25.A N VAL 21.A O no hydrogen 3.086 N/A ILE 26.A N LEU 22.A O no hydrogen 2.845 N/A GLY 27.A N TYR 23.A O no hydrogen 2.959 N/A ALA 28.A N LEU 24.A O no hydrogen 2.862 N/A THR 29.A N ILE 25.A O no hydrogen 3.048 N/A THR 29.A OG1 ILE 25.A O no hydrogen 2.864 N/A THR 29.A OG1 ILE 26.A O no hydrogen 2.580 N/A VAL 30.A N ILE 26.A O no hydrogen 3.089 N/A PHE 31.A N GLY 27.A O no hydrogen 2.871 N/A LYS 32.A N ALA 28.A O no hydrogen 2.922 N/A ALA 33.A N THR 29.A O no hydrogen 3.010 N/A LEU 34.A N VAL 30.A O no hydrogen 2.757 N/A GLU 35.A N PHE 31.A O no hydrogen 2.596 N/A GLN 36.A N LYS 32.A O no hydrogen 3.104 N/A GLU 39.A N GLU 35.A O no hydrogen 3.129 N/A ILE 40.A N GLN 36.A O no hydrogen 3.251 N/A SER 41.A N PRO 37.A O no hydrogen 3.045 N/A SER 41.A OG PRO 37.A O no hydrogen 3.320 N/A SER 41.A OG GLN 38.A O no hydrogen 3.305 N/A SER 41.A OG GLN 38.A OE1 no hydrogen 3.406 N/A GLN 42.A N GLN 38.A O no hydrogen 3.167 N/A GLN 42.A NE2 GLN 38.A OE1 no hydrogen 3.277 N/A ARG 43.A N GLU 39.A O no hydrogen 2.734 N/A ARG 43.A NH2 GLU 39.A OE2 no hydrogen 3.569 N/A THR 44.A N ILE 40.A O no hydrogen 2.751 N/A THR 44.A OG1 ILE 40.A O no hydrogen 2.711 N/A THR 45.A OG1 SER 41.A O no hydrogen 2.695 N/A THR 45.A OG1 GLN 42.A O no hydrogen 3.467 N/A ARG 50.A N ILE 46.A O no hydrogen 3.001 N/A GLU 51.A N VAL 47.A O no hydrogen 3.134 N/A LYS 52.A N ILE 48.A O no hydrogen 2.870 N/A PHE 53.A N ARG 50.A O no hydrogen 2.962 N/A ARG 55.A NE GLU 51.A O no hydrogen 3.125 N/A ALA 56.A N LYS 52.A O no hydrogen 2.623 N/A VAL 60.A N HIS 57.A O no hydrogen 3.281 N/A GLU 64.A N SER 61.A OG no hydrogen 3.413 N/A LEU 68.A N GLU 64.A O no hydrogen 2.864 N/A ILE 69.A N LEU 65.A O no hydrogen 3.003 N/A GLN 70.A N ASP 66.A O no hydrogen 3.231 N/A GLN 71.A N GLU 67.A O no hydrogen 2.898 N/A ILE 72.A N LEU 68.A O no hydrogen 2.986 N/A VAL 73.A N ILE 69.A O no hydrogen 2.856 N/A ALA 74.A N GLN 70.A O no hydrogen 3.011 N/A ILE 76.A N ILE 72.A O no hydrogen 2.892 N/A ALA 78.A N ALA 75.A O no hydrogen 3.143 N/A GLY 79.A N ALA 75.A O no hydrogen 3.141 N/A TRP 82.A N SER 80.A OG no hydrogen 3.133 N/A SER 86.A N ASP 83.A OD1 no hydrogen 2.687 N/A SER 86.A OG ASP 83.A OD1 no hydrogen 2.750 N/A SER 87.A N ASP 83.A O no hydrogen 3.415 N/A SER 87.A OG ASP 83.A O no hydrogen 2.659 N/A SER 87.A OG LEU 84.A O no hydrogen 3.483 N/A PHE 89.A N GLY 85.A O no hydrogen 2.893 N/A PHE 90.A N SER 86.A O no hydrogen 3.075 N/A ALA 91.A N SER 87.A O no hydrogen 2.918 N/A GLY 92.A N PHE 88.A O no hydrogen 3.243 N/A THR 93.A N PHE 89.A O no hydrogen 2.911 N/A THR 93.A OG1 PHE 90.A O no hydrogen 2.840 N/A VAL 94.A N PHE 90.A O no hydrogen 3.210 N/A VAL 94.A N ALA 91.A O no hydrogen 3.115 N/A ILE 95.A N ALA 91.A O no hydrogen 3.004 N/A THR 96.A N GLY 92.A O no hydrogen 3.252 N/A THR 96.A OG1 GLY 92.A O no hydrogen 2.528 N/A THR 96.A OG1 THR 93.A O no hydrogen 3.341 N/A THR 97.A N VAL 94.A O no hydrogen 3.223 N/A THR 97.A OG1 THR 96.A O no hydrogen 2.914 N/A ILE 98.A N THR 96.A OG1 no hydrogen 3.225 N/A GLY 99.A N THR 93.A O no hydrogen 2.909 N/A ARG 106.A NE ASN 77.A O no hydrogen 2.488 N/A ARG 106.A NH1 PRO 105.A O no hydrogen 3.293 N/A LYS 111.A N THR 107.A O no hydrogen 3.031 N/A ILE 112.A N GLU 108.A O no hydrogen 3.137 N/A PHE 113.A N GLY 109.A O no hydrogen 2.576 N/A CYS 114.A N GLY 110.A O no hydrogen 2.634 N/A ILE 115.A N LYS 111.A O no hydrogen 2.884 N/A ILE 116.A N ILE 112.A O no hydrogen 3.208 N/A TYR 117.A N PHE 113.A O no hydrogen 2.599 N/A ALA 118.A N CYS 114.A O no hydrogen 2.808 N/A LEU 119.A N ILE 115.A O no hydrogen 3.045 N/A LEU 120.A N ILE 116.A O no hydrogen 3.411 N/A GLY 121.A N TYR 117.A O no hydrogen 2.782 N/A ILE 122.A N ALA 118.A O no hydrogen 2.704 N/A LEU 124.A N LEU 120.A O no hydrogen 3.211 N/A PHE 125.A N GLY 121.A O no hydrogen 2.826 N/A GLY 126.A N ILE 122.A O no hydrogen 3.044 N/A PHE 127.A N LEU 124.A O no hydrogen 2.984 N/A LEU 129.A N PHE 125.A O no hydrogen 2.862 N/A ALA 130.A N GLY 126.A O no hydrogen 2.789 N/A GLY 131.A N PHE 127.A O no hydrogen 2.772 N/A VAL 132.A N LEU 128.A O no hydrogen 2.736 N/A GLY 133.A N LEU 129.A O no hydrogen 3.002 N/A ASP 134.A N ALA 130.A O no hydrogen 2.785 N/A GLN 135.A N GLY 131.A O no hydrogen 2.776 N/A LEU 136.A N VAL 132.A O no hydrogen 2.868 N/A GLY 137.A N GLY 133.A O no hydrogen 2.707 N/A THR 138.A N ASP 134.A O no hydrogen 2.895 N/A THR 138.A OG1 ASP 134.A O no hydrogen 3.356 N/A THR 138.A OG1 GLN 135.A O no hydrogen 3.498 N/A ILE 139.A N GLN 135.A O no hydrogen 3.046 N/A PHE 140.A N LEU 136.A O no hydrogen 3.021 N/A GLY 141.A N GLY 137.A O no hydrogen 3.214 N/A LYS 142.A N THR 138.A O no hydrogen 3.241 N/A LYS 142.A N ILE 139.A O no hydrogen 3.192 N/A GLY 143.A N ILE 139.A O no hydrogen 3.348 N/A ILE 144.A N PHE 140.A O no hydrogen 3.032 N/A ALA 145.A N GLY 141.A O no hydrogen 3.215 N/A GLU 148.A N ILE 144.A O no hydrogen 2.771 N/A THR 150.A N LYS 146.A O no hydrogen 3.490 N/A THR 150.A OG1 LYS 146.A O no hydrogen 3.119 N/A ASN 155.A N ASN 155.A OD1 no hydrogen 2.572 N/A SER 157.A OG ASN 155.A O no hydrogen 3.027 N/A THR 159.A OG1 GLN 158.A O no hydrogen 2.551 N/A ILE 163.A N LYS 160.A O no hydrogen 3.166 N/A SER 165.A N ILE 161.A O no hydrogen 2.965 N/A SER 165.A OG ILE 161.A O no hydrogen 2.920 N/A SER 165.A OG ARG 162.A O no hydrogen 2.982 N/A THR 166.A N ARG 162.A O no hydrogen 3.437 N/A THR 166.A OG1 ARG 162.A O no hydrogen 3.220 N/A THR 166.A OG1 ILE 163.A O no hydrogen 2.922 N/A ILE 167.A N ILE 163.A O no hydrogen 3.412 N/A PHE 169.A N SER 165.A O no hydrogen 3.166 N/A ILE 170.A N THR 166.A O no hydrogen 3.161 N/A LEU 171.A N ILE 167.A O no hydrogen 2.807 N/A PHE 172.A N ILE 168.A O no hydrogen 3.118 N/A GLY 173.A N PHE 169.A O no hydrogen 2.652 N/A CYS 174.A N ILE 170.A O no hydrogen 2.901 N/A CYS 174.A SG ILE 170.A O no hydrogen 3.263 N/A CYS 174.A SG TYR 239.A OH no hydrogen 3.564 N/A VAL 175.A N LEU 171.A O no hydrogen 3.113 N/A LEU 176.A N PHE 172.A O no hydrogen 3.456 N/A PHE 177.A N GLY 173.A O no hydrogen 3.024 N/A ALA 179.A N CYS 174.A O no hydrogen 2.791 N/A LEU 180.A N VAL 175.A O no hydrogen 2.826 N/A ALA 182.A N VAL 178.A O no hydrogen 3.272 N/A VAL 183.A N ALA 179.A O no hydrogen 2.851 N/A ILE 184.A N LEU 180.A O no hydrogen 3.281 N/A PHE 185.A N PRO 181.A O no hydrogen 2.868 N/A LYS 186.A N ALA 182.A O no hydrogen 2.950 N/A HIS 187.A N VAL 183.A O no hydrogen 3.253 N/A ILE 188.A N ILE 184.A O no hydrogen 2.826 N/A GLU 189.A N PHE 185.A O no hydrogen 2.842 N/A GLY 190.A N LYS 186.A O no hydrogen 3.115 N/A SER 192.A N ASP 195.A OD2 no hydrogen 3.441 N/A ASP 195.A N SER 192.A OG no hydrogen 2.817 N/A ILE 197.A N ALA 193.A O no hydrogen 3.342 N/A TYR 198.A N LEU 194.A O no hydrogen 2.677 N/A TYR 198.A OH ASP 211.A OD2 no hydrogen 2.666 N/A PHE 199.A N ASP 195.A O no hydrogen 2.938 N/A VAL 200.A N ALA 196.A O no hydrogen 3.126 N/A VAL 201.A N ILE 197.A O no hydrogen 3.038 N/A ILE 202.A N TYR 198.A O no hydrogen 2.886 N/A THR 203.A N PHE 199.A O no hydrogen 2.687 N/A THR 203.A OG1 PHE 199.A O no hydrogen 2.619 N/A LEU 204.A N VAL 200.A O no hydrogen 2.805 N/A THR 205.A N VAL 201.A O no hydrogen 2.958 N/A THR 205.A OG1 VAL 201.A O no hydrogen 2.373 N/A THR 205.A OG1 ILE 202.A O no hydrogen 3.398 N/A THR 206.A N THR 203.A O no hydrogen 3.016 N/A THR 206.A OG1 THR 205.A O no hydrogen 2.599 N/A GLY 208.A N ILE 202.A O no hydrogen 2.747 N/A GLY 215.A N GLU 189.A OE2 no hydrogen 2.963 N/A GLY 216.A N VAL 213.A O no hydrogen 3.128 N/A SER 217.A OG TYR 221.A OH no hydrogen 3.159 N/A TYR 221.A OH GLU 189.A OE1 no hydrogen 2.504 N/A TYR 221.A OH GLU 189.A OE2 no hydrogen 2.838 N/A TYR 221.A OH SER 217.A OG no hydrogen 3.159 N/A TYR 225.A N LEU 222.A O no hydrogen 2.851 N/A TYR 225.A OH GLU 189.A OE2 no hydrogen 2.590 N/A VAL 228.A N TYR 225.A O no hydrogen 2.927 N/A VAL 229.A N TYR 225.A O no hydrogen 3.279 N/A VAL 229.A N LYS 226.A O no hydrogen 3.186 N/A TRP 230.A N LYS 226.A O no hydrogen 3.351 N/A PHE 231.A N PRO 227.A O no hydrogen 3.278 N/A TRP 232.A N VAL 228.A O no hydrogen 2.699 N/A TRP 232.A NE1 PHE 177.A O no hydrogen 3.217 N/A ILE 233.A N VAL 229.A O no hydrogen 2.795 N/A LEU 234.A N TRP 230.A O no hydrogen 2.861 N/A VAL 235.A N PHE 231.A O no hydrogen 3.176 N/A GLY 236.A N TRP 232.A O no hydrogen 2.555 N/A LEU 237.A N ILE 233.A O no hydrogen 2.792 N/A TYR 239.A N VAL 235.A O no hydrogen 2.857 N/A PHE 240.A N GLY 236.A O no hydrogen 2.957 N/A ALA 241.A N LEU 237.A O no hydrogen 2.871 N/A ALA 242.A N ALA 238.A O no hydrogen 3.270 N/A VAL 243.A N TYR 239.A O no hydrogen 2.975 N/A LEU 244.A N PHE 240.A O no hydrogen 2.673 N/A SER 245.A N ALA 241.A O no hydrogen 3.150 N/A MET 246.A N ALA 242.A O no hydrogen 2.657 N/A ILE 247.A N VAL 243.A O no hydrogen 2.844 N/A GLY 248.A N LEU 244.A O no hydrogen 2.956 N/A ASP 249.A N SER 245.A O no hydrogen 2.774 N/A TRP 250.A N MET 246.A O no hydrogen 2.772 N/A LEU 251.A N ILE 247.A O no hydrogen 2.897 N/A ARG 252.A N GLY 248.A O no hydrogen 3.068 N/A ARG 252.A N ASP 249.A O no hydrogen 3.158 N/A VAL 253.A N ASP 249.A O no hydrogen 3.288 N/A ILE 254.A N TRP 250.A O no hydrogen 3.044 N/A LYS 256.A N ARG 252.A O no hydrogen 3.006 N/A LYS 257.A N VAL 253.A O no hydrogen 2.673 N/A THR 258.A N ILE 254.A O no hydrogen 3.046 N/A THR 258.A OG1 ILE 254.A O no hydrogen 3.012 N/A THR 258.A OG1 ALA 255.A O no hydrogen 2.981 N/A LYS 259.A N ALA 255.A O no hydrogen 2.642 N/A GLU 260.A N LYS 256.A O no hydrogen 3.041 N/A ALA 261.A N LYS 257.A O no hydrogen 2.709 N/A VAL 262.A N THR 258.A O no hydrogen 2.939 N/A GLY 263.A N LYS 259.A O no hydrogen 3.128 N/A GLU 264.A N GLU 260.A O no hydrogen 3.036 N/A PHE 265.A N ALA 261.A O no hydrogen 3.155 N/A ARG 266.A N VAL 262.A O no hydrogen 2.798 N/A ALA 267.A N GLY 263.A O no hydrogen 2.935 N/A HIS 268.A N GLU 264.A O no hydrogen 3.119 N/A ALA 270.A N ARG 266.A O no hydrogen 2.758 N/A GLU 271.A N ALA 267.A O no hydrogen 3.456 N/A TRP 272.A N HIS 268.A O no hydrogen 2.753 N/A THR 273.A N ALA 269.A O no hydrogen 2.724 N/A THR 273.A OG1 ALA 269.A O no hydrogen 2.896 N/A ALA 274.A N ALA 270.A O no hydrogen 3.034 N/A