Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3isp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 9.A N PRO 5.A O no hydrogen 3.422 N/A LEU 10.A N GLN 6.A O no hydrogen 3.078 N/A ALA 11.A N LEU 7.A O no hydrogen 2.835 N/A ALA 12.A N ALA 8.A O no hydrogen 2.989 N/A VAL 13.A N ALA 9.A O no hydrogen 2.848 N/A VAL 14.A N LEU 10.A O no hydrogen 2.836 N/A GLU 15.A N ALA 11.A O no hydrogen 2.943 N/A LEU 16.A N ALA 12.A O no hydrogen 3.051 N/A ALA 21.A N SER 18.A OG no hydrogen 2.805 N/A ALA 22.A N SER 18.A O no hydrogen 3.337 N/A ALA 23.A N ASP 20.A O no hydrogen 3.074 N/A GLU 24.A N ASP 20.A O no hydrogen 3.106 N/A LEU 26.A N ALA 23.A O no hydrogen 3.266 N/A VAL 28.A N ALA 23.A O no hydrogen 3.351 N/A SER 31.A OG GLN 35.A OE1 no hydrogen 2.921 N/A ALA 32.A N THR 29.A OG1 no hydrogen 3.306 N/A VAL 33.A N THR 29.A O no hydrogen 3.067 N/A SER 34.A N PRO 30.A O no hydrogen 2.678 N/A SER 34.A OG PRO 30.A O no hydrogen 3.155 N/A GLN 35.A N SER 31.A O no hydrogen 2.685 N/A ARG 36.A N ALA 32.A O no hydrogen 2.642 N/A ILE 37.A N VAL 33.A O no hydrogen 2.913 N/A LYS 38.A N SER 34.A O no hydrogen 2.816 N/A SER 39.A N GLN 35.A O no hydrogen 2.652 N/A LEU 40.A N ARG 36.A O no hydrogen 3.171 N/A GLU 41.A N ILE 37.A O no hydrogen 2.673 N/A GLN 42.A N LYS 38.A O no hydrogen 2.666 N/A GLN 43.A N SER 39.A O no hydrogen 2.840 N/A VAL 44.A N LEU 40.A O no hydrogen 3.037 N/A GLY 45.A N GLU 41.A O no hydrogen 2.690 N/A GLN 46.A N GLU 41.A O no hydrogen 3.200 N/A LEU 48.A N GLU 41.A OE2 no hydrogen 3.107 N/A VAL 50.A N ARG 56.A O no hydrogen 2.992 N/A ARG 51.A NH1 GLU 41.A OE1 no hydrogen 3.454 N/A ARG 51.A NH1 GLU 41.A OE2 no hydrogen 2.769 N/A ARG 51.A NH2 GLU 41.A OE1 no hydrogen 2.775 N/A CYS 55.A SG ARG 51.A O no hydrogen 3.747 N/A THR 58.A N LEU 48.A O no hydrogen 2.980 N/A THR 58.A OG1 VAL 47.A O no hydrogen 2.929 N/A GLY 61.A N THR 58.A O no hydrogen 2.941 N/A ILE 62.A N THR 59.A O no hydrogen 3.190 N/A LEU 65.A N GLY 61.A O no hydrogen 2.994 N/A ARG 66.A N ILE 62.A O no hydrogen 3.044 N/A ARG 66.A NH1 ARG 131.A O no hydrogen 2.865 N/A LEU 67.A N PRO 63.A O no hydrogen 2.882 N/A ALA 68.A N LEU 64.A O no hydrogen 2.853 N/A ALA 69.A N LEU 65.A O no hydrogen 3.346 N/A ALA 69.A N ARG 66.A O no hydrogen 2.869 N/A GLN 70.A N ARG 66.A O no hydrogen 2.914 N/A GLN 70.A NE2 GLY 148.A O no hydrogen 3.519 N/A THR 71.A N LEU 67.A O no hydrogen 3.060 N/A THR 71.A OG1 LEU 67.A O no hydrogen 3.202 N/A ALA 72.A N ALA 68.A O no hydrogen 2.956 N/A LEU 73.A N ALA 69.A O no hydrogen 3.153 N/A LEU 74.A N GLN 70.A O no hydrogen 2.840 N/A GLU 75.A N THR 71.A O no hydrogen 2.749 N/A SER 76.A N ALA 72.A O no hydrogen 3.240 N/A GLU 77.A N LEU 73.A O no hydrogen 3.069 N/A ALA 78.A N LEU 74.A O no hydrogen 2.972 N/A LEU 79.A N GLU 75.A O no hydrogen 3.114 N/A ALA 80.A N GLU 77.A O no hydrogen 3.021 N/A GLU 81.A N GLU 77.A O no hydrogen 2.808 N/A ARG 88.A NH2 ASP 113.A OD1 no hydrogen 3.291 N/A ILE 91.A N LEU 115.A O no hydrogen 2.805 N/A THR 92.A OG1 ASP 117.A OD2 no hydrogen 2.715 N/A ILE 93.A N ASP 117.A O no hydrogen 3.081 N/A ALA 94.A N GLY 137.A O no hydrogen 2.975 N/A VAL 95.A N ARG 119.A O no hydrogen 2.822 N/A ASN 96.A ND2 SER 99.A OG no hydrogen 2.639 N/A SER 99.A N ASN 96.A O no hydrogen 2.879 N/A MET 100.A N ASN 96.A O no hydrogen 3.239 N/A ALA 101.A N ALA 97.A O no hydrogen 3.230 N/A THR 102.A N SER 99.A O no hydrogen 3.271 N/A THR 102.A OG1 ASP 98.A O no hydrogen 2.840 N/A THR 102.A OG1 SER 99.A O no hydrogen 3.541 N/A PHE 104.A N SER 99.A O no hydrogen 2.901 N/A ALA 106.A N TRP 103.A O no hydrogen 3.155 N/A VAL 107.A N PHE 104.A O no hydrogen 2.817 N/A PHE 108.A N SER 105.A O no hydrogen 3.359 N/A ASP 109.A N ALA 106.A O no hydrogen 3.156 N/A LEU 115.A N THR 89.A O no hydrogen 2.715 N/A ASP 117.A N ILE 91.A O no hydrogen 2.786 N/A ARG 119.A N ILE 93.A O no hydrogen 3.134 N/A ARG 119.A NE ASP 117.A OD1 no hydrogen 3.134 N/A ARG 119.A NE ASP 117.A OD2 no hydrogen 2.986 N/A ARG 119.A NH2 ASP 117.A OD2 no hydrogen 2.918 N/A GLU 121.A N VAL 95.A O no hydrogen 3.244 N/A GLN 123.A NE2 THR 141.A OG1 no hydrogen 2.653 N/A HIS 125.A N ASP 122.A OD1 no hydrogen 2.862 N/A SER 126.A N ASP 122.A O no hydrogen 3.071 N/A SER 126.A OG ASP 122.A O no hydrogen 3.138 N/A SER 126.A OG GLN 123.A O no hydrogen 3.087 N/A ALA 127.A N GLN 123.A O no hydrogen 3.185 N/A ARG 128.A N ASP 124.A O no hydrogen 3.273 N/A LEU 129.A N HIS 125.A O no hydrogen 3.337 N/A LEU 130.A N SER 126.A O no hydrogen 2.994 N/A ARG 131.A N ALA 127.A O no hydrogen 3.006 N/A GLU 132.A N ARG 128.A O no hydrogen 2.844 N/A GLY 133.A N LEU 130.A O no hydrogen 3.108 N/A ALA 135.A N LEU 129.A O no hydrogen 2.817 N/A MET 136.A N THR 92.A O no hydrogen 2.805 N/A ALA 138.A N GLN 263.A O no hydrogen 2.698 N/A VAL 139.A N ALA 94.A O no hydrogen 2.994 N/A THR 140.A N TYR 261.A O no hydrogen 3.041 N/A GLU 142.A N THR 140.A OG1 no hydrogen 2.972 N/A ARG 143.A NE TYR 261.A OH no hydrogen 2.776 N/A VAL 146.A N GLN 263.A OE1 no hydrogen 2.817 N/A ARG 150.A N CYS 264.A O no hydrogen 2.718 N/A ARG 150.A NH1 LEU 267.A O no hydrogen 3.233 N/A ARG 150.A NH2 LEU 267.A O no hydrogen 3.381 N/A HIS 152.A N TRP 262.A O no hydrogen 2.813 N/A LEU 154.A N LEU 260.A O no hydrogen 3.283 N/A GLU 156.A N TYR 287.A O no hydrogen 2.784 N/A MET 157.A N VAL 258.A O no hydrogen 2.895 N/A ARG 158.A NE ASP 257.A OD1 no hydrogen 2.898 N/A ARG 158.A NH2 ASP 257.A OD1 no hydrogen 3.176 N/A ARG 158.A NH2 ASP 257.A OD2 no hydrogen 3.423 N/A TYR 159.A N LEU 256.A O no hydrogen 2.721 N/A TYR 159.A OH ASP 98.A OD2 no hydrogen 2.452 N/A LEU 160.A N PHE 234.A O no hydrogen 3.037 N/A VAL 162.A N GLY 232.A O no hydrogen 2.944 N/A ALA 163.A N VAL 249.A O no hydrogen 3.295 N/A ARG 165.A NE GLY 246.A O no hydrogen 2.760 N/A PHE 167.A N SER 164.A OG no hydrogen 3.424 N/A VAL 168.A N SER 164.A O no hydrogen 3.097 N/A GLN 169.A N ARG 165.A O no hydrogen 2.812 N/A ARG 170.A N PRO 166.A O no hydrogen 2.961 N/A ARG 170.A NH1 ARG 170.A O no hydrogen 2.430 N/A HIS 171.A N PHE 167.A O no hydrogen 2.922 N/A LEU 172.A N VAL 168.A O no hydrogen 2.547 N/A GLY 175.A N LEU 172.A O no hydrogen 3.235 N/A ALA 181.A N THR 177.A O no hydrogen 2.681 N/A LYS 183.A N ALA 180.A O no hydrogen 3.031 N/A ALA 184.A N ALA 180.A O no hydrogen 2.790 N/A SER 186.A N PRO 211.A O no hydrogen 2.738 N/A LEU 187.A N TRP 231.A O no hydrogen 2.641 N/A TRP 189.A N ASP 193.A OD2 no hydrogen 3.102 N/A ASP 193.A N ASN 190.A O no hydrogen 3.246 N/A ASP 193.A N ASN 190.A OD1 no hydrogen 3.213 N/A LEU 195.A N ASP 193.A OD1 no hydrogen 3.056 N/A GLN 196.A N GLN 196.A OE1 no hydrogen 2.946 N/A MET 198.A N GLY 194.A O no hydrogen 2.996 N/A MET 198.A N LEU 195.A O no hydrogen 3.287 N/A ARG 201.A N ASP 197.A O no hydrogen 3.366 N/A ARG 201.A NH1 ARG 206.A O no hydrogen 2.633 N/A LYS 202.A N MET 198.A O no hydrogen 2.723 N/A LYS 202.A NZ HIS 255.A O no hydrogen 2.717 N/A PHE 204.A N VAL 200.A O no hydrogen 2.584 N/A ARG 210.A NH2 ASP 197.A OD1 no hydrogen 2.748 N/A THR 212.A OG1 HIS 213.A O no hydrogen 3.484 N/A HIS 213.A N SER 186.A O no hydrogen 2.863 N/A VAL 215.A N ALA 188.A O no hydrogen 2.838 N/A THR 217.A OG1 PRO 216.A O no hydrogen 2.550 N/A GLY 220.A N THR 217.A OG1 no hydrogen 2.916 N/A PHE 221.A N THR 217.A O no hydrogen 2.851 N/A THR 222.A N THR 218.A O no hydrogen 2.810 N/A THR 222.A OG1 THR 218.A O no hydrogen 2.713 N/A ALA 223.A N GLU 219.A O no hydrogen 2.763 N/A ALA 224.A N GLY 220.A O no hydrogen 3.144 N/A ALA 225.A N PHE 221.A O no hydrogen 3.255 N/A ARG 226.A N THR 222.A O no hydrogen 2.841 N/A ALA 227.A N ALA 223.A O no hydrogen 2.643 N/A GLY 228.A N ALA 225.A O no hydrogen 3.021 N/A LEU 229.A N ALA 224.A O no hydrogen 3.086 N/A TRP 231.A N PRO 185.A O no hydrogen 3.129 N/A GLY 232.A N VAL 162.A O no hydrogen 3.046 N/A PHE 234.A N LEU 160.A O no hydrogen 3.041 N/A GLU 236.A N ARG 158.A O no hydrogen 2.881 N/A LEU 238.A N PRO 235.A O no hydrogen 2.847 N/A ALA 239.A N PRO 235.A O no hydrogen 3.251 N/A ALA 239.A N GLU 236.A O no hydrogen 2.981 N/A ALA 240.A N GLU 236.A O no hydrogen 2.858 N/A LEU 243.A N ALA 239.A O no hydrogen 2.852 N/A ALA 244.A N SER 241.A O no hydrogen 2.941 N/A ASP 245.A N SER 241.A O no hydrogen 3.053 N/A PHE 248.A N PRO 242.A O no hydrogen 2.642 N/A VAL 249.A N ALA 163.A O no hydrogen 2.609 N/A ARG 250.A NE CYS 252.A O no hydrogen 3.132 N/A ARG 250.A NH2 CYS 252.A O no hydrogen 3.394 N/A ARG 250.A NH2 ILE 254.A O no hydrogen 2.859 N/A VAL 251.A N PRO 161.A O no hydrogen 3.006 N/A LEU 256.A N TYR 159.A O no hydrogen 3.055 N/A VAL 258.A N MET 157.A O no hydrogen 2.980 N/A LEU 260.A N GLY 155.A O no hydrogen 2.850 N/A TYR 261.A N THR 140.A O no hydrogen 2.966 N/A TRP 262.A N HIS 152.A O no hydrogen 2.549 N/A TRP 262.A NE1 THR 276.A OG1 no hydrogen 3.040 N/A GLN 263.A N ALA 138.A O no hydrogen 3.060 N/A GLN 263.A NE2 GLU 142.A O no hydrogen 2.772 N/A GLN 263.A NE2 ASN 144.A O no hydrogen 2.764 N/A CYS 264.A N ARG 150.A O no hydrogen 3.002 N/A CYS 264.A SG THR 276.A OG1 no hydrogen 3.625 N/A LYS 266.A N GLY 148.A O no hydrogen 2.933 N/A SER 269.A OG GLU 77.A OE1 no hydrogen 2.556 N/A SER 269.A OG GLU 77.A OE2 no hydrogen 2.905 N/A ILE 271.A N GLU 77.A OE2 no hydrogen 2.852 N/A ALA 273.A N SER 269.A O no hydrogen 2.992 N/A ARG 274.A N PRO 270.A O no hydrogen 3.098 N/A ILE 275.A N ILE 271.A O no hydrogen 2.933 N/A THR 276.A N ILE 272.A O no hydrogen 2.742 N/A THR 276.A OG1 ILE 272.A O no hydrogen 3.062 N/A ASP 277.A N ALA 273.A O no hydrogen 2.847 N/A THR 278.A N ARG 274.A O no hydrogen 3.101 N/A THR 278.A OG1 GLY 110.A O no hydrogen 3.432 N/A THR 278.A OG1 ARG 274.A O no hydrogen 3.369 N/A VAL 279.A N ILE 275.A O no hydrogen 2.842 N/A ARG 280.A N THR 276.A O no hydrogen 2.849 N/A ALA 281.A N ASP 277.A O no hydrogen 2.953 N/A ALA 282.A N THR 278.A O no hydrogen 2.857 N/A ALA 283.A N VAL 279.A O no hydrogen 3.252 N/A ALA 283.A N ARG 280.A O no hydrogen 3.273 N/A SER 284.A N ALA 281.A O no hydrogen 3.120 N/A SER 284.A OG ALA 281.A O no hydrogen 2.994 N/A LEU 286.A N ALA 283.A O no hydrogen 2.942 N/A TYR 287.A N GLU 156.A O no hydrogen 2.922 N/A ARG 288.A NE GLY 289.A O no hydrogen 2.895 N/A ARG 288.A NH2 GLY 289.A O no hydrogen 3.217 N/A GLN 290.A N GLU 156.A OE2 no hydrogen 3.104 N/A