Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xsh_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N ASN 78.A O no hydrogen 2.600 N/A THR 6.A N GLU 10.A OE1 no hydrogen 2.714 N/A LYS 8.A NZ ASP 12.A OD2 no hydrogen 2.714 N/A GLU 10.A N ASN 7.A OD1 no hydrogen 3.126 N/A ALA 11.A N ASN 7.A O no hydrogen 2.962 N/A ASP 12.A N LYS 8.A O no hydrogen 2.923 N/A ALA 13.A N GLU 9.A O no hydrogen 2.987 N/A TRP 14.A N GLU 10.A O no hydrogen 2.875 N/A TRP 14.A NE1 ASP 77.A OD1 no hydrogen 3.100 N/A GLY 15.A N ALA 11.A O no hydrogen 2.562 N/A LYS 16.A N ASP 12.A O no hydrogen 3.014 N/A LYS 17.A N TRP 14.A O no hydrogen 3.089 N/A GLN 18.A N GLY 15.A O no hydrogen 3.338 N/A GLN 18.A NE2 TRP 14.A O no hydrogen 2.950 N/A GLN 18.A NE2 ASN 76.A OD1 no hydrogen 3.362 N/A LYS 21.A NZ ASN 20.A OD1 no hydrogen 3.138 N/A TRP 22.A NE1 ALA 67.A O no hydrogen 3.089 N/A SER 23.A N GLU 26.A OE1 no hydrogen 2.788 N/A GLU 26.A N SER 23.A OG no hydrogen 3.382 N/A LYS 27.A N SER 23.A O no hydrogen 2.896 N/A LYS 27.A NZ ASN 20.A O no hydrogen 2.682 N/A LYS 27.A NZ ASP 162.A OD2 no hydrogen 3.074 N/A SER 28.A N LYS 24.A O no hydrogen 2.963 N/A ALA 29.A N GLU 25.A O no hydrogen 2.939 N/A ILE 30.A N GLU 26.A O no hydrogen 3.142 N/A ARG 31.A N LYS 27.A O no hydrogen 2.708 N/A ARG 31.A NH1 ASP 161.A OD1 no hydrogen 2.742 N/A ASP 32.A N SER 28.A O no hydrogen 2.872 N/A TYR 33.A N ALA 29.A O no hydrogen 3.307 N/A TYR 33.A N ILE 30.A O no hydrogen 3.154 N/A TYR 33.A OH SER 128.A OG no hydrogen 3.106 N/A THR 34.A N ILE 30.A O no hydrogen 3.379 N/A THR 34.A OG1 ARG 31.A O no hydrogen 2.710 N/A LYS 35.A N ARG 31.A O no hydrogen 3.176 N/A LYS 35.A N ASP 32.A O no hydrogen 3.236 N/A TYR 40.A OH ASP 32.A OD2 no hydrogen 2.472 N/A ASN 41.A N ALA 37.A O no hydrogen 2.946 N/A ASN 41.A ND2 TYR 33.A OH no hydrogen 3.024 N/A GLU 42.A N ARG 38.A O no hydrogen 2.862 N/A LEU 44.A N TYR 40.A O no hydrogen 3.047 N/A ARG 45.A N ASN 41.A O no hydrogen 3.060 N/A ARG 45.A NE GLU 123.A OE2 no hydrogen 2.557 N/A MET 46.A N GLU 42.A O no hydrogen 3.066 N/A HIS 47.A N PHE 43.A O no hydrogen 2.831 N/A ALA 48.A N ARG 45.A O no hydrogen 3.122 N/A GLY 49.A N LEU 44.A O no hydrogen 2.955 N/A LYS 50.A N HIS 47.A O no hydrogen 3.053 N/A THR 56.A N ASP 54.A OD1 no hydrogen 2.884 N/A THR 56.A OG1 ASP 54.A OD1 no hydrogen 2.937 N/A MET 57.A N ASP 54.A OD1 no hydrogen 3.205 N/A LYS 58.A N ASP 54.A O no hydrogen 2.755 N/A LYS 58.A NZ GLU 62.A OE1 no hydrogen 3.527 N/A LYS 59.A N PRO 55.A O no hydrogen 3.114 N/A LYS 60.A N THR 56.A O no hydrogen 2.941 N/A LYS 60.A NZ ASP 32.A OD2 no hydrogen 3.238 N/A ILE 61.A N MET 57.A O no hydrogen 2.724 N/A GLU 62.A N LYS 58.A O no hydrogen 2.815 N/A SER 63.A N LYS 59.A O no hydrogen 2.870 N/A SER 63.A OG LYS 59.A O no hydrogen 2.328 N/A LEU 64.A N LYS 60.A O no hydrogen 3.298 N/A ASP 65.A N ILE 61.A O no hydrogen 3.099 N/A LYS 66.A N GLU 62.A O no hydrogen 3.254 N/A ALA 67.A N SER 63.A O no hydrogen 3.134 N/A LEU 68.A N LEU 64.A O no hydrogen 2.830 N/A ASN 69.A N LYS 66.A O no hydrogen 3.158 N/A ARG 70.A NE GLU 72.A OE1 no hydrogen 3.080 N/A ARG 70.A NH1 GLU 26.A OE1 no hydrogen 2.755 N/A ARG 70.A NH2 GLU 72.A OE2 no hydrogen 2.719 N/A GLU 72.A N GLU 72.A OE1 no hydrogen 2.487 N/A ALA 73.A N ARG 70.A O no hydrogen 2.879 N/A VAL 75.A N THR 153.A O no hydrogen 2.906 N/A ASP 77.A N ASN 76.A OD1 no hydrogen 3.256 N/A ILE 79.A N VAL 149.A O no hydrogen 2.835 N/A LYS 80.A N LYS 3.A O no hydrogen 2.698 N/A LYS 80.A NZ GLU 146.A OE2 no hydrogen 3.478 N/A VAL 81.A N PHE 147.A O no hydrogen 2.911 N/A TYR 82.A N SER 130.A O no hydrogen 2.731 N/A TYR 82.A OH GLU 146.A OE1 no hydrogen 2.792 N/A ARG 83.A N THR 145.A O no hydrogen 3.008 N/A ARG 83.A NE ASP 85.A OD2 no hydrogen 2.823 N/A ARG 83.A NH1 SER 128.A O no hydrogen 3.015 N/A ARG 83.A NH2 ASP 85.A OD1 no hydrogen 2.856 N/A ASP 85.A N VAL 143.A O no hydrogen 2.576 N/A ALA 87.A N ASN 96.A OD1 no hydrogen 2.933 N/A ILE 89.A N ASP 86.A O no hydrogen 3.021 N/A PHE 90.A N ALA 87.A O no hydrogen 3.255 N/A GLY 91.A N TRP 88.A O no hydrogen 3.093 N/A GLU 93.A N GLU 93.A OE1 no hydrogen 2.598 N/A TYR 94.A N GLY 91.A O no hydrogen 2.896 N/A TYR 94.A OH GLU 111.A OE1 no hydrogen 2.367 N/A ASN 96.A ND2 ASP 86.A OD1 no hydrogen 2.984 N/A SER 97.A N ASP 95.A OD1 no hydrogen 2.882 N/A SER 97.A OG ASP 95.A OD1 no hydrogen 2.835 N/A ILE 98.A N ASP 95.A O no hydrogen 3.267 N/A LYS 100.A N LYS 103.A O no hydrogen 2.830 N/A LYS 103.A N LYS 100.A O no hydrogen 2.970 N/A LYS 103.A NZ GLU 196.A OE2 no hydrogen 3.363 N/A VAL 104.A N GLU 196.A OE1 no hydrogen 2.994 N/A ASP 105.A N ILE 98.A O no hydrogen 2.861 N/A ARG 106.A NH1 VAL 104.A O no hydrogen 3.028 N/A ARG 106.A NH1 GLU 196.A OE1 no hydrogen 2.588 N/A ARG 106.A NH1 GLU 196.A OE2 no hydrogen 3.510 N/A ARG 106.A NH2 GLU 196.A OE2 no hydrogen 3.194 N/A LYS 108.A N ASP 105.A OD1 no hydrogen 2.472 N/A PHE 109.A N ASP 105.A O no hydrogen 2.675 N/A LYS 110.A N ARG 106.A O no hydrogen 2.783 N/A GLU 111.A N GLU 107.A O no hydrogen 3.231 N/A ILE 112.A N LYS 108.A O no hydrogen 3.069 N/A GLN 113.A N PHE 109.A O no hydrogen 3.013 N/A GLN 113.A NE2 GLN 117.A OE1 no hydrogen 3.535 N/A GLN 113.A NE2 ILE 185.A O no hydrogen 2.678 N/A LYS 114.A N LYS 110.A O no hydrogen 2.940 N/A LYS 115.A NZ PHE 90.A O no hydrogen 3.426 N/A LYS 115.A NZ GLU 93.A OE2 no hydrogen 2.598 N/A PHE 116.A N ILE 112.A O no hydrogen 3.004 N/A GLN 117.A N GLN 113.A O no hydrogen 2.863 N/A GLY 118.A N ILE 182.A O no hydrogen 2.729 N/A LYS 119.A N PHE 116.A O no hydrogen 2.838 N/A THR 121.A N TYR 180.A O no hydrogen 2.894 N/A GLU 123.A N THR 178.A O no hydrogen 3.093 N/A GLY 125.A N GLU 123.A OE2 no hydrogen 2.893 N/A TYR 126.A N ASN 41.A OD1 no hydrogen 2.700 N/A TYR 126.A OH ASP 65.A OD1 no hydrogen 2.499 N/A ILE 127.A N LEU 174.A O no hydrogen 3.088 N/A SER 128.A OG TYR 33.A OH no hydrogen 3.106 N/A SER 128.A OG GLU 171.A OE2 no hydrogen 3.016 N/A THR 129.A N LEU 172.A O no hydrogen 2.947 N/A THR 129.A OG1 LEU 172.A O no hydrogen 2.896 N/A SER 130.A N TYR 82.A O no hydrogen 2.708 N/A SER 130.A OG LEU 132.A O no hydrogen 3.252 N/A SER 130.A OG GLN 169.A O no hydrogen 2.658 N/A SER 130.A OG TYR 170.A O no hydrogen 3.069 N/A ILE 131.A N TYR 170.A O no hydrogen 2.971 N/A LEU 132.A N SER 130.A OG no hydrogen 3.271 N/A ALA 135.A N LEU 132.A O no hydrogen 2.996 N/A LYS 139.A NZ ASP 134.A OD1 no hydrogen 3.301 N/A THR 140.A N TYR 137.A O no hydrogen 3.150 N/A THR 140.A OG1 TYR 137.A O no hydrogen 3.278 N/A ARG 141.A NH1 GLY 84.A O no hydrogen 3.165 N/A VAL 143.A N ASP 85.A O no hydrogen 2.935 N/A MET 144.A N ILE 198.A O no hydrogen 2.861 N/A THR 145.A N ARG 83.A O no hydrogen 2.667 N/A GLU 146.A N VAL 200.A O no hydrogen 2.794 N/A PHE 147.A N VAL 81.A O no hydrogen 2.719 N/A LYS 148.A N ALA 202.A O no hydrogen 2.947 N/A VAL 149.A N ILE 79.A O no hydrogen 2.821 N/A SER 151.A N ASN 78.A OD1 no hydrogen 2.520 N/A SER 151.A OG ASN 76.A O no hydrogen 3.011 N/A GLY 152.A N VAL 75.A O no hydrogen 3.267 N/A THR 153.A N GLY 150.A O no hydrogen 3.257 N/A THR 153.A OG1 GLY 150.A O no hydrogen 2.456 N/A HIS 154.A ND1 ALA 73.A O no hydrogen 2.985 N/A GLY 155.A N ALA 73.A O no hydrogen 3.128 N/A ALA 156.A N LEU 173.A O no hydrogen 3.048 N/A MET 158.A N GLU 171.A O no hydrogen 2.686 N/A SER 160.A OG ASP 162.A OD1 no hydrogen 2.554 N/A LEU 163.A N SER 160.A O no hydrogen 2.973 N/A THR 164.A N SER 160.A O no hydrogen 3.007 N/A ALA 165.A N THR 34.A OG1 no hydrogen 2.808 N/A TYR 166.A N THR 164.A OG1 no hydrogen 2.848 N/A GLY 168.A N ASN 159.A OD1 no hydrogen 3.052 N/A TYR 170.A N ASN 159.A OD1 no hydrogen 2.799 N/A GLU 171.A N MET 158.A O no hydrogen 2.945 N/A LEU 172.A N THR 129.A O no hydrogen 2.864 N/A LEU 173.A N ALA 156.A O no hydrogen 2.813 N/A LEU 174.A N ILE 127.A O no hydrogen 2.774 N/A ARG 176.A NE ASP 65.A OD1 no hydrogen 3.277 N/A ARG 176.A NE ASP 65.A OD2 no hydrogen 2.772 N/A ARG 176.A NH1 GLY 49.A O no hydrogen 3.336 N/A ARG 176.A NH2 ASP 65.A OD2 no hydrogen 2.931 N/A ASN 177.A N GLU 123.A O no hydrogen 2.785 N/A THR 178.A OG1 PRO 175.A O no hydrogen 2.699 N/A TYR 180.A N THR 121.A O no hydrogen 2.896 N/A LYS 181.A N THR 203.A O no hydrogen 2.959 N/A ILE 182.A N LYS 119.A O no hydrogen 2.837 N/A GLU 183.A N GLU 201.A O no hydrogen 2.852 N/A LYS 184.A N GLU 201.A O no hydrogen 3.419 N/A ILE 185.A N GLN 117.A OE1 no hydrogen 3.047 N/A TYR 186.A N LYS 199.A O no hydrogen 2.832 N/A ALA 188.A N GLN 197.A O no hydrogen 3.164 N/A ASP 190.A N LYS 195.A O no hydrogen 3.003 N/A ASN 192.A N ASP 190.A OD2 no hydrogen 3.220 N/A THR 193.A N ASP 190.A OD2 no hydrogen 3.114 N/A GLN 194.A N ASP 190.A O no hydrogen 3.159 N/A LYS 195.A N THR 193.A OG1 no hydrogen 3.362 N/A GLU 196.A N GLY 102.A O no hydrogen 2.835 N/A GLN 197.A N ALA 188.A O no hydrogen 3.220 N/A GLN 197.A NE2 ALA 138.A O no hydrogen 2.858 N/A GLN 197.A NE2 ARG 141.A O no hydrogen 2.783 N/A ILE 198.A N PRO 142.A O no hydrogen 3.095 N/A LYS 199.A N TYR 186.A O no hydrogen 2.620 N/A VAL 200.A N MET 144.A O no hydrogen 2.772 N/A GLU 201.A N LYS 184.A O no hydrogen 2.921 N/A ALA 202.A N GLU 146.A O no hydrogen 3.050 N/A THR 203.A N LYS 181.A O no hydrogen 2.846 N/A THR 203.A OG1 GLU 183.A OE2 no hydrogen 3.382 N/A ILE 204.A N LYS 148.A O no hydrogen 3.200 N/A LYS 205.A N VAL 179.A O no hydrogen 3.050 N/A