Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xnn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N ILE 1.A O no hydrogen 3.092 N/A LEU 6.A N PHE 2.A O no hydrogen 3.082 N/A GLU 7.A N LEU 3.A O no hydrogen 3.025 N/A ALA 8.A N ASN 4.A O no hydrogen 2.907 N/A ILE 9.A N VAL 5.A O no hydrogen 2.950 N/A ALA 16.A N ASP 96.A OD1 no hydrogen 2.889 N/A GLY 17.A N ASP 96.A OD2 no hydrogen 2.675 N/A HIS 18.A N ASP 96.A OD2 no hydrogen 2.895 N/A GLN 22.A N ASP 19.A O no hydrogen 3.313 N/A ALA 28.A N SER 25.A OG no hydrogen 3.292 N/A LEU 29.A N SER 25.A O no hydrogen 3.006 N/A LEU 30.A N PHE 26.A O no hydrogen 2.969 N/A SER 31.A N ALA 27.A O no hydrogen 2.807 N/A SER 31.A OG ALA 27.A O no hydrogen 2.667 N/A SER 32.A N ALA 28.A O no hydrogen 3.161 N/A SER 32.A OG ALA 28.A O no hydrogen 3.161 N/A LEU 33.A N LEU 29.A O no hydrogen 2.909 N/A ASN 34.A N LEU 30.A O no hydrogen 2.897 N/A GLU 35.A N SER 31.A O no hydrogen 3.102 N/A LEU 36.A N SER 32.A O no hydrogen 2.830 N/A GLY 37.A N LEU 33.A O no hydrogen 2.725 N/A GLU 38.A N ASN 34.A O no hydrogen 3.006 N/A ARG 39.A N GLU 35.A O no hydrogen 3.063 N/A ARG 39.A NE GLU 35.A OE1 no hydrogen 3.080 N/A ARG 39.A NH1 CYS 15.A O no hydrogen 2.944 N/A GLN 40.A N LEU 36.A O no hydrogen 2.811 N/A LEU 41.A N GLY 37.A O no hydrogen 2.942 N/A VAL 42.A N GLU 38.A O no hydrogen 3.162 N/A HIS 43.A N ARG 39.A O no hydrogen 3.337 N/A HIS 43.A ND1 ARG 39.A O no hydrogen 3.078 N/A VAL 44.A N GLN 40.A O no hydrogen 2.792 N/A VAL 45.A N LEU 41.A O no hydrogen 2.930 N/A LYS 46.A N VAL 42.A O no hydrogen 3.309 N/A TRP 47.A N HIS 43.A O no hydrogen 2.962 N/A ALA 48.A N VAL 44.A O no hydrogen 2.894 N/A LYS 49.A N VAL 45.A O no hydrogen 3.100 N/A ALA 50.A N LYS 46.A O no hydrogen 3.325 N/A ALA 50.A N TRP 47.A O no hydrogen 3.084 N/A LEU 51.A N ALA 48.A O no hydrogen 3.129 N/A PHE 54.A N LEU 51.A O no hydrogen 3.071 N/A ASN 56.A N GLY 53.A O no hydrogen 2.959 N/A LEU 57.A N PHE 54.A O no hydrogen 3.182 N/A HIS 58.A NE2 ASP 60.A OD2 no hydrogen 2.999 N/A GLN 62.A N HIS 58.A O no hydrogen 2.977 N/A ALA 64.A N ASP 60.A O no hydrogen 3.151 N/A VAL 65.A N ASP 61.A O no hydrogen 2.806 N/A ILE 66.A N GLN 62.A O no hydrogen 3.262 N/A GLN 67.A N MET 63.A O no hydrogen 2.921 N/A TYR 68.A N ALA 64.A O no hydrogen 2.970 N/A SER 69.A N VAL 65.A O no hydrogen 3.155 N/A SER 69.A OG VAL 65.A O no hydrogen 2.910 N/A LEU 73.A N SER 69.A O no hydrogen 2.915 N/A MET 74.A N TRP 70.A O no hydrogen 3.043 N/A VAL 75.A N MET 71.A O no hydrogen 2.930 N/A PHE 76.A N GLY 72.A O no hydrogen 2.944 N/A ALA 77.A N LEU 73.A O no hydrogen 3.051 N/A MET 78.A N MET 74.A O no hydrogen 2.985 N/A GLY 79.A N VAL 75.A O no hydrogen 2.843 N/A TRP 80.A N PHE 76.A O no hydrogen 3.034 N/A ARG 81.A N ALA 77.A O no hydrogen 2.890 N/A ARG 81.A NE TYR 92.A O no hydrogen 3.108 N/A ARG 81.A NH2 TYR 92.A O no hydrogen 3.525 N/A ARG 81.A NH2 PHE 93.A O no hydrogen 2.940 N/A SER 82.A N MET 78.A O no hydrogen 2.976 N/A SER 82.A OG MET 78.A O no hydrogen 2.877 N/A SER 82.A OG MET 90.A O no hydrogen 3.498 N/A PHE 83.A N GLY 79.A O no hydrogen 3.097 N/A THR 84.A N TRP 80.A O no hydrogen 2.970 N/A THR 84.A OG1 TRP 80.A O no hydrogen 3.427 N/A THR 84.A OG1 ARG 81.A O no hydrogen 3.389 N/A ASN 85.A N ARG 81.A O no hydrogen 2.779 N/A VAL 86.A N SER 82.A O no hydrogen 3.091 N/A ASN 87.A ND2 PHE 83.A O no hydrogen 3.216 N/A SER 88.A N SER 82.A O no hydrogen 2.925 N/A ARG 89.A N VAL 86.A O no hydrogen 3.047 N/A LEU 91.A N PHE 99.A O no hydrogen 3.025 N/A TYR 92.A N SER 82.A OG no hydrogen 2.835 N/A PHE 93.A N LEU 91.A O no hydrogen 3.076 N/A ALA 94.A N LEU 97.A O no hydrogen 3.225 N/A LEU 97.A N ALA 94.A O no hydrogen 2.965 N/A PHE 99.A N LEU 91.A O no hydrogen 2.759 N/A ARG 103.A N ASN 100.A OD1 no hydrogen 2.901 N/A ARG 103.A NE VAL 98.A O no hydrogen 2.978 N/A ARG 103.A NH1 ASP 24.A OD1 no hydrogen 2.950 N/A ARG 103.A NH2 VAL 98.A O no hydrogen 2.926 N/A MET 104.A N ASN 100.A O no hydrogen 3.051 N/A HIS 105.A N GLU 101.A O no hydrogen 3.157 N/A LYS 106.A N TYR 102.A O no hydrogen 2.886 N/A SER 107.A N ARG 103.A O no hydrogen 2.931 N/A SER 107.A OG ARG 103.A O no hydrogen 2.891 N/A SER 107.A OG MET 104.A O no hydrogen 2.696 N/A ARG 108.A N HIS 105.A O no hydrogen 3.049 N/A MET 109.A N SER 107.A OG no hydrogen 3.276 N/A TYR 110.A OH GLU 101.A OE2 no hydrogen 2.408 N/A CYS 113.A N MET 109.A O no hydrogen 2.763 N/A CYS 113.A SG MET 109.A O no hydrogen 3.294 N/A VAL 114.A N TYR 110.A O no hydrogen 2.779 N/A ARG 115.A N SER 111.A O no hydrogen 3.176 N/A MET 116.A N GLN 112.A O no hydrogen 3.054 N/A ARG 117.A N CYS 113.A O no hydrogen 2.791 N/A ARG 117.A NH1 GLU 101.A OE1 no hydrogen 2.824 N/A ARG 117.A NH2 GLU 101.A OE1 no hydrogen 3.331 N/A HIS 118.A N VAL 114.A O no hydrogen 3.023 N/A LEU 119.A N ARG 115.A O no hydrogen 3.072 N/A SER 120.A N MET 116.A O no hydrogen 3.019 N/A SER 120.A OG MET 116.A O no hydrogen 2.771 N/A SER 120.A OG ARG 117.A O no hydrogen 3.100 N/A GLN 121.A N ARG 117.A O no hydrogen 2.994 N/A GLN 121.A NE2 ARG 117.A O no hydrogen 3.493 N/A GLU 122.A N HIS 118.A O no hydrogen 3.051 N/A PHE 123.A N SER 120.A O no hydrogen 3.190 N/A GLY 124.A N GLN 121.A O no hydrogen 2.883 N/A TRP 125.A N GLN 121.A O no hydrogen 2.954 N/A LEU 126.A N GLU 122.A O no hydrogen 2.907 N/A GLN 127.A N GLY 124.A O no hydrogen 3.111 N/A ILE 128.A N PHE 123.A O no hydrogen 2.971 N/A THR 129.A N GLU 132.A OE1 no hydrogen 3.018 N/A GLU 132.A N THR 129.A OG1 no hydrogen 3.021 N/A PHE 133.A N THR 129.A O no hydrogen 2.977 N/A LEU 134.A N PRO 130.A O no hydrogen 3.055 N/A CYS 135.A N GLN 131.A O no hydrogen 3.166 N/A CYS 135.A SG GLN 131.A O no hydrogen 3.441 N/A MET 136.A N GLU 132.A O no hydrogen 2.874 N/A LYS 137.A N PHE 133.A O no hydrogen 2.886 N/A LYS 137.A NZ GLU 10.A OE2 no hydrogen 2.915 N/A ALA 138.A N LEU 134.A O no hydrogen 3.176 N/A LEU 139.A N CYS 135.A O no hydrogen 3.072 N/A LEU 140.A N MET 136.A O no hydrogen 2.854 N/A LEU 141.A N ALA 138.A O no hydrogen 3.139 N/A PHE 142.A N LEU 139.A O no hydrogen 2.977 N/A SER 143.A N LEU 140.A O no hydrogen 3.251 N/A SER 143.A OG LEU 139.A O no hydrogen 2.795 N/A ILE 145.A N LYS 241.A O no hydrogen 3.135 N/A VAL 147.A N LYS 239.A O no hydrogen 2.818 N/A GLY 149.A N PRO 146.A O no hydrogen 2.906 N/A LYS 151.A N ASP 61.A OD1 no hydrogen 2.947 N/A LYS 151.A NZ ASP 60.A OD2 no hydrogen 2.831 N/A ASN 152.A N ASP 61.A OD2 no hydrogen 3.096 N/A PHE 155.A N ASN 152.A O no hydrogen 3.286 N/A PHE 155.A N ASN 152.A OD1 no hydrogen 3.388 N/A ASP 157.A N GLN 153.A O no hydrogen 2.934 N/A GLU 158.A N LYS 154.A O no hydrogen 3.138 N/A LEU 159.A N PHE 155.A O no hydrogen 3.004 N/A ARG 160.A N PHE 156.A O no hydrogen 2.851 N/A ARG 160.A NH1 PHE 142.A O no hydrogen 2.844 N/A MET 161.A N ASP 157.A O no hydrogen 3.089 N/A ASN 162.A N GLU 158.A O no hydrogen 3.107 N/A TYR 163.A N LEU 159.A O no hydrogen 3.155 N/A TYR 163.A N ARG 160.A O no hydrogen 3.098 N/A TYR 163.A OH PRO 52.A O no hydrogen 2.656 N/A ILE 164.A N ARG 160.A O no hydrogen 3.018 N/A LYS 165.A N MET 161.A O no hydrogen 3.126 N/A LYS 165.A NZ MET 161.A O no hydrogen 3.033 N/A GLU 166.A N ASN 162.A O no hydrogen 3.123 N/A LEU 167.A N TYR 163.A O no hydrogen 3.139 N/A ASP 168.A N ILE 164.A O no hydrogen 2.991 N/A ARG 169.A N LYS 165.A O no hydrogen 3.072 N/A ILE 170.A N GLU 166.A O no hydrogen 2.976 N/A ALA 172.A N ASP 168.A O no hydrogen 3.040 N/A CYS 173.A N ARG 169.A O no hydrogen 2.854 N/A CYS 173.A SG ARG 169.A O no hydrogen 3.028 N/A LYS 176.A NZ ILE 171.A O no hydrogen 3.193 N/A SER 180.A OG SER 182.A OG no hydrogen 2.839 N/A SER 182.A OG SER 180.A OG no hydrogen 2.839 N/A ARG 184.A NE GLU 132.A OE2 no hydrogen 2.669 N/A ARG 184.A NH1 LEU 126.A O no hydrogen 3.046 N/A ARG 184.A NH2 LEU 126.A O no hydrogen 3.118 N/A ARG 184.A NH2 GLN 127.A O no hydrogen 2.976 N/A ARG 184.A NH2 GLU 132.A OE1 no hydrogen 2.810 N/A ARG 184.A NH2 GLU 132.A OE2 no hydrogen 3.357 N/A TYR 186.A N SER 182.A O no hydrogen 2.884 N/A GLN 187.A N ARG 183.A O no hydrogen 3.118 N/A LEU 188.A N ARG 184.A O no hydrogen 3.163 N/A THR 189.A N PHE 185.A O no hydrogen 2.961 N/A THR 189.A OG1 PHE 185.A O no hydrogen 2.976 N/A THR 189.A OG1 TYR 186.A O no hydrogen 2.742 N/A LYS 190.A N TYR 186.A O no hydrogen 3.039 N/A LYS 190.A NZ TYR 186.A OH no hydrogen 2.918 N/A LEU 191.A N GLN 187.A O no hydrogen 2.921 N/A LEU 192.A N LEU 188.A O no hydrogen 3.017 N/A ASP 193.A N THR 189.A O no hydrogen 3.073 N/A SER 194.A N LYS 190.A O no hydrogen 3.050 N/A SER 194.A OG LEU 191.A O no hydrogen 2.432 N/A VAL 195.A N LEU 192.A O no hydrogen 3.152 N/A ALA 199.A N VAL 195.A O no hydrogen 2.850 N/A ARG 200.A N GLN 196.A O no hydrogen 2.961 N/A ARG 200.A NH2 LEU 236.A O no hydrogen 3.544 N/A GLU 201.A N PRO 197.A O no hydrogen 3.183 N/A LEU 202.A N ILE 198.A O no hydrogen 3.031 N/A HIS 203.A N ALA 199.A O no hydrogen 2.741 N/A GLN 204.A N ARG 200.A O no hydrogen 2.984 N/A PHE 205.A N GLU 201.A O no hydrogen 3.013 N/A ALA 206.A N LEU 202.A O no hydrogen 2.805 N/A PHE 207.A N HIS 203.A O no hydrogen 2.932 N/A ASP 208.A N GLN 204.A O no hydrogen 2.993 N/A LEU 209.A N PHE 205.A O no hydrogen 3.016 N/A LEU 210.A N ALA 206.A O no hydrogen 2.945 N/A ILE 211.A N PHE 207.A O no hydrogen 3.101 N/A LYS 212.A N ASP 208.A O no hydrogen 3.273 N/A SER 213.A N LEU 210.A O no hydrogen 3.352 N/A SER 213.A OG LEU 210.A O no hydrogen 2.993 N/A HIS 214.A ND1 ILE 211.A O no hydrogen 3.035 N/A MET 215.A N LYS 212.A O no hydrogen 3.099 N/A VAL 216.A N LYS 212.A O no hydrogen 3.160 N/A SER 217.A N SER 213.A O no hydrogen 2.962 N/A SER 217.A OG MET 215.A O no hydrogen 3.155 N/A VAL 218.A N SER 213.A O no hydrogen 3.465 N/A MET 223.A N GLU 38.A OE2 no hydrogen 3.095 N/A MET 224.A N GLU 38.A OE1 no hydrogen 2.825 N/A ALA 225.A N PRO 221.A O no hydrogen 2.898 N/A GLU 226.A N GLU 222.A O no hydrogen 3.233 N/A ILE 227.A N MET 223.A O no hydrogen 3.201 N/A ILE 228.A N MET 224.A O no hydrogen 2.987 N/A SER 229.A N ALA 225.A O no hydrogen 3.289 N/A SER 229.A OG ALA 225.A O no hydrogen 2.758 N/A SER 229.A OG GLU 226.A O no hydrogen 3.439 N/A VAL 230.A N GLU 226.A O no hydrogen 2.919 N/A GLN 231.A N ILE 227.A O no hydrogen 2.756 N/A VAL 232.A N ILE 227.A O no hydrogen 2.873 N/A ILE 235.A N VAL 232.A O no hydrogen 2.813 N/A LEU 236.A N VAL 232.A O no hydrogen 2.987 N/A SER 237.A N PRO 233.A O no hydrogen 2.806 N/A SER 237.A OG PRO 233.A O no hydrogen 3.077 N/A SER 237.A OG LYS 234.A O no hydrogen 3.529 N/A GLY 238.A N ILE 235.A O no hydrogen 3.295 N/A LYS 239.A N LYS 234.A O no hydrogen 2.845 N/A VAL 240.A N LYS 234.A O no hydrogen 3.070 N/A LYS 241.A N ILE 145.A O no hydrogen 2.889 N/A ILE 243.A N SER 143.A O no hydrogen 2.770 N/A PHE 245.A N ASP 193.A OD1 no hydrogen 3.177 N/A HIS 246.A N ASP 193.A OD2 no hydrogen 3.182 N/A