Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3smz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 7.A N ASP 4.A OD1 no hydrogen 2.981 N/A ILE 8.A N ASP 4.A O no hydrogen 3.192 N/A ARG 9.A N PRO 5.A O no hydrogen 3.200 N/A LYS 10.A N GLU 6.A O no hydrogen 3.209 N/A ARG 11.A N GLU 7.A O no hydrogen 2.985 N/A ARG 11.A NE GLU 7.A OE1 no hydrogen 2.891 N/A ARG 11.A NH1 GLY 134.A O no hydrogen 3.016 N/A LEU 12.A N ILE 8.A O no hydrogen 2.897 N/A GLU 13.A N ARG 9.A O no hydrogen 2.985 N/A HIS 14.A N LYS 10.A O no hydrogen 3.103 N/A THR 15.A N ARG 11.A O no hydrogen 3.080 N/A THR 15.A OG1 LEU 127.A O no hydrogen 2.626 N/A GLU 16.A N LEU 12.A O no hydrogen 2.988 N/A ARG 17.A N GLU 13.A O no hydrogen 2.966 N/A GLN 18.A N HIS 14.A O no hydrogen 2.884 N/A PHE 19.A N THR 15.A O no hydrogen 2.777 N/A ARG 20.A N GLU 16.A O no hydrogen 2.934 N/A ASN 21.A N GLN 18.A O no hydrogen 3.177 N/A ASN 21.A ND2 GLU 123.A O no hydrogen 3.463 N/A ARG 22.A N ARG 20.A O no hydrogen 2.855 N/A ARG 23.A NE.B ASN 21.A OD1 no hydrogen 2.827 N/A ARG 23.A NH2.A GLU 123.A OE1 no hydrogen 3.167 N/A ARG 23.A NH2.B ASN 21.A OD1 no hydrogen 3.322 N/A LYS 24.A NZ GLU 123.A OE1 no hydrogen 3.479 N/A ILE 25.A N VAL 62.A O no hydrogen 2.710 N/A LEU 26.A N GLN 90.A O no hydrogen 2.880 N/A ILE 27.A N ALA 60.A O no hydrogen 2.903 N/A ARG 28.A N SER 88.A O no hydrogen 2.836 N/A LEU 30.A N GLY 58.A O no hydrogen 2.869 N/A VAL 34.A N PRO 31.A O no hydrogen 2.985 N/A GLN 37.A NE2 ASP 41.A OD1 no hydrogen 2.871 N/A GLU 38.A N THR 35.A OG1 no hydrogen 3.175 N/A VAL 39.A N THR 35.A O no hydrogen 3.313 N/A HIS 40.A N ASN 36.A O no hydrogen 2.917 N/A ASP 41.A N GLN 37.A O no hydrogen 2.876 N/A LEU 42.A N GLU 38.A O no hydrogen 2.863 N/A LEU 43.A N VAL 39.A O no hydrogen 3.016 N/A SER 44.A N ASP 41.A O no hydrogen 3.126 N/A SER 44.A OG ASP 41.A O no hydrogen 3.246 N/A TYR 46.A N LEU 43.A O no hydrogen 2.964 N/A LYS 49.A N THR 63.A O no hydrogen 2.897 N/A TYR 50.A N THR 63.A O no hydrogen 3.319 N/A CYS 51.A SG ASN 36.A O no hydrogen 3.861 N/A PHE 52.A N PHE 61.A O no hydrogen 2.898 N/A VAL 53.A N ASN 36.A OD1 no hydrogen 2.743 N/A ASP 54.A N THR 59.A O no hydrogen 2.669 N/A LYS 57.A N ASP 54.A O no hydrogen 3.038 N/A THR 59.A N ASP 54.A O no hydrogen 3.089 N/A THR 59.A OG1 LYS 57.A O no hydrogen 2.994 N/A ALA 60.A N ILE 27.A O no hydrogen 2.924 N/A PHE 61.A N PHE 52.A O no hydrogen 2.900 N/A VAL 62.A N ILE 25.A O no hydrogen 3.014 N/A THR 63.A N TYR 50.A O no hydrogen 2.948 N/A LEU 64.A N ARG 23.A O no hydrogen 2.806 N/A GLN 69.A N ASN 66.A OD1 no hydrogen 3.060 N/A ALA 70.A N ASN 66.A O no hydrogen 3.276 N/A GLU 71.A N GLY 67.A O no hydrogen 2.928 N/A ALA 72.A N GLU 68.A O no hydrogen 2.949 N/A ALA 73.A N GLN 69.A O no hydrogen 2.872 N/A ILE 74.A N ALA 70.A O no hydrogen 3.066 N/A ASN 75.A N GLU 71.A O no hydrogen 3.085 N/A ALA 76.A N ALA 72.A O no hydrogen 2.923 N/A PHE 77.A N ALA 73.A O no hydrogen 2.945 N/A HIS 78.A N ILE 74.A O no hydrogen 2.805 N/A GLN 79.A N LEU 87.A O no hydrogen 2.938 N/A SER 80.A N PHE 77.A O no hydrogen 2.947 N/A SER 80.A OG PHE 77.A O no hydrogen 2.729 N/A ARG 81.A NE GLU 84.A O no hydrogen 3.094 N/A ARG 81.A NH2 GLU 84.A O no hydrogen 3.470 N/A LEU 82.A N ARG 85.A O no hydrogen 2.872 N/A ARG 83.A NE GLU 38.A OE2 no hydrogen 2.620 N/A ARG 83.A NH1 ASP 33.A OD1 no hydrogen 3.281 N/A ARG 83.A NH1 ASP 33.A OD2 no hydrogen 3.528 N/A ARG 83.A NH2 ASP 33.A OD1 no hydrogen 3.053 N/A ARG 83.A NH2 GLU 38.A OE1 no hydrogen 2.858 N/A ARG 83.A NH2 GLU 38.A OE2 no hydrogen 3.447 N/A ARG 85.A N LEU 82.A O no hydrogen 2.894 N/A ARG 85.A NH1 ARG 83.A O no hydrogen 2.989 N/A LEU 87.A N SER 80.A O no hydrogen 2.838 N/A SER 88.A N ARG 28.A O no hydrogen 2.961 N/A VAL 89.A N HIS 78.A ND1 no hydrogen 2.965 N/A GLN 90.A N LEU 26.A O no hydrogen 3.224 N/A GLN 92.A N LYS 24.A O no hydrogen 2.918 N/A ALA 96.A N THR 94.A OG1 no hydrogen 3.015 N/A LEU 98.A N ALA 142.A O no hydrogen 2.950 N/A CYS 99.A N HIS 170.A O no hydrogen 2.893 N/A CYS 99.A SG GLY 140.A O no hydrogen 3.771 N/A VAL 100.A N GLY 140.A O no hydrogen 2.893 N/A ALA 101.A N TYR 168.A O no hydrogen 2.682 N/A ASN 102.A ND2 THR 166.A O no hydrogen 2.909 N/A LEU 103.A N GLY 138.A O no hydrogen 2.805 N/A LEU 107.A N PRO 104.A O no hydrogen 3.045 N/A THR 108.A N GLN 111.A OE1 no hydrogen 3.132 N/A THR 108.A OG1 GLN 111.A OE1 no hydrogen 3.442 N/A GLN 109.A NE2 GLU 113.A OE2 no hydrogen 2.789 N/A GLN 109.A NE2 CYS 125.A O no hydrogen 2.971 N/A GLN 111.A N THR 108.A OG1 no hydrogen 3.183 N/A PHE 112.A N THR 108.A O no hydrogen 2.852 N/A GLU 113.A N GLN 109.A O no hydrogen 3.006 N/A GLU 114.A N GLN 110.A O no hydrogen 2.989 N/A LEU 115.A N GLN 111.A O no hydrogen 2.957 N/A LEU 115.A N PHE 112.A O no hydrogen 3.222 N/A VAL 116.A N PHE 112.A O no hydrogen 3.199 N/A ARG 117.A N GLU 113.A O no hydrogen 2.815 N/A ARG 117.A NH1 ARG 117.A O no hydrogen 2.823 N/A PHE 119.A N VAL 116.A O no hydrogen 3.327 N/A GLY 120.A N ARG 117.A O no hydrogen 3.175 N/A GLU 123.A N GLU 143.A O no hydrogen 2.725 N/A ARG 124.A N GLU 143.A O no hydrogen 3.335 N/A ARG 124.A NE GLU 143.A OE1 no hydrogen 2.755 N/A ARG 124.A NH1 PHE 19.A O no hydrogen 2.967 N/A ARG 124.A NH2 GLU 143.A OE1 no hydrogen 2.846 N/A CYS 125.A N GLN 18.A OE1 no hydrogen 2.944 N/A PHE 126.A N PHE 141.A O no hydrogen 2.947 N/A LEU 127.A N GLN 109.A OE1 no hydrogen 2.945 N/A VAL 128.A N TYR 139.A O no hydrogen 3.063 N/A SER 130.A N GLN 135.A O no hydrogen 2.865 N/A SER 130.A OG THR 133.A OG1 no hydrogen 3.124 N/A SER 130.A OG GLU 240.A OE2 no hydrogen 2.519 N/A THR 133.A N SER 130.A OG no hydrogen 3.265 N/A THR 133.A OG1 SER 130.A OG no hydrogen 3.124 N/A GLY 134.A N SER 130.A O no hydrogen 2.768 N/A GLN 135.A N THR 133.A OG1 no hydrogen 3.124 N/A GLN 135.A NE2 HIS 1.A O no hydrogen 2.975 N/A LYS 137.A N VAL 128.A O no hydrogen 3.026 N/A LYS 137.A NZ HIS 183.A ND1 no hydrogen 3.004 N/A LYS 137.A NZ GLU 240.A OE1 no hydrogen 3.008 N/A GLY 138.A N SER 136.A OG no hydrogen 3.102 N/A TYR 139.A OH LEU 182.A O no hydrogen 2.578 N/A GLY 140.A N VAL 100.A O no hydrogen 3.000 N/A PHE 141.A N PHE 126.A O no hydrogen 2.766 N/A ALA 142.A N LEU 98.A O no hydrogen 3.012 N/A GLU 143.A N ARG 124.A O no hydrogen 2.861 N/A TYR 144.A N ALA 96.A O no hydrogen 2.922 N/A TYR 144.A OH VAL 116.A O no hydrogen 2.642 N/A MET 145.A N SER 121.A O no hydrogen 3.057 N/A SER 149.A N LYS 146.A O no hydrogen 3.099 N/A SER 149.A OG PHE 119.A O no hydrogen 3.412 N/A ALA 150.A N LYS 146.A O no hydrogen 3.432 N/A ALA 151.A N LYS 147.A O no hydrogen 2.896 N/A ARG 152.A N ASP 148.A O no hydrogen 3.111 N/A ARG 152.A NE ASP 148.A OD2 no hydrogen 2.849 N/A ARG 152.A NH1 PHE 119.A O no hydrogen 3.042 N/A ARG 152.A NH2 PHE 119.A O no hydrogen 3.394 N/A ARG 152.A NH2 ASP 148.A OD2 no hydrogen 3.228 N/A ALA 153.A N SER 149.A O no hydrogen 2.922 N/A LYS 154.A N ALA 150.A O no hydrogen 2.929 N/A SER 155.A N ALA 151.A O no hydrogen 3.106 N/A ASP 156.A N ARG 152.A O no hydrogen 3.068 N/A LEU 157.A N ALA 153.A O no hydrogen 2.958 N/A LEU 158.A N LYS 154.A O no hydrogen 2.883 N/A GLY 159.A N LEU 167.A O no hydrogen 2.898 N/A LYS 160.A N LEU 157.A O no hydrogen 2.943 N/A LEU 162.A N ARG 165.A O no hydrogen 2.698 N/A ARG 165.A N LEU 162.A O no hydrogen 3.091 N/A ARG 165.A NH1 ASN 102.A OD1 no hydrogen 2.891 N/A ARG 165.A NH1 SER 259.A OG no hydrogen 2.856 N/A LEU 167.A N LYS 160.A O no hydrogen 2.817 N/A TYR 168.A N ALA 101.A O no hydrogen 2.934 N/A HIS 170.A N CYS 99.A O no hydrogen 3.049 N/A THR 172.A N LEU 97.A O no hydrogen 2.930 N/A THR 172.A OG1 HIS 170.A ND1 no hydrogen 3.184 N/A GLY 175.A N ASP 173.A OD1 no hydrogen 3.323 N/A GLN 176.A N ASP 173.A O no hydrogen 3.346 N/A LEU 177.A N ALA 174.A O no hydrogen 3.223 N/A LEU 181.A N THR 178.A OG1 no hydrogen 3.264 N/A LEU 182.A N THR 178.A O no hydrogen 3.156 N/A HIS 183.A N ALA 180.A O no hydrogen 3.312 N/A SER 184.A N TYR 139.A OH no hydrogen 2.903 N/A SER 184.A OG CYS 186.A O no hydrogen 3.201 N/A SER 184.A OG CYS 261.A O no hydrogen 2.801 N/A CYS 186.A N SER 184.A OG no hydrogen 3.271 N/A CYS 186.A SG PRO 265.A O no hydrogen 3.663 N/A LEU 187.A N LEU 231.A O no hydrogen 2.728 N/A CYS 188.A N SER 259.A O no hydrogen 2.628 N/A CYS 188.A SG ALA 229.A O no hydrogen 3.806 N/A VAL 189.A N ALA 229.A O no hydrogen 2.769 N/A ASP 190.A N ARG 257.A O no hydrogen 2.904 N/A LEU 202.A N VAL 199.A O no hydrogen 3.144 N/A CYS 203.A N VAL 199.A O no hydrogen 3.295 N/A CYS 203.A SG VAL 199.A O no hydrogen 3.338 N/A CYS 203.A SG CYS 215.A O no hydrogen 3.424 N/A ARG 204.A N ASP 200.A O no hydrogen 3.209 N/A ALA 205.A N ALA 201.A O no hydrogen 3.030 N/A LEU 206.A N LEU 202.A O no hydrogen 2.986 N/A LEU 206.A N CYS 203.A O no hydrogen 3.230 N/A SER 207.A N ARG 204.A O no hydrogen 3.114 N/A SER 207.A OG CYS 203.A O no hydrogen 2.767 N/A HIS 210.A NE2 GLU 241.A OE1 no hydrogen 2.738 N/A THR 213.A N GLU 232.A O no hydrogen 2.793 N/A PHE 214.A N GLU 232.A O no hydrogen 3.244 N/A GLN 216.A N VAL 230.A O no hydrogen 3.384 N/A ALA 218.A N PHE 228.A O no hydrogen 2.759 N/A GLY 220.A N GLN 224.A O no hydrogen 3.438 N/A GLY 223.A N GLY 220.A O no hydrogen 3.081 N/A GLN 224.A N ASP 222.A OD1 no hydrogen 3.032 N/A LYS 226.A N ALA 218.A O no hydrogen 3.001 N/A ALA 229.A N VAL 189.A O no hydrogen 2.736 N/A VAL 230.A N GLN 216.A O no hydrogen 3.168 N/A LEU 231.A N LEU 187.A O no hydrogen 2.858 N/A GLU 232.A N PHE 214.A O no hydrogen 2.952 N/A TYR 233.A N ARG 185.A O no hydrogen 2.917 N/A TYR 233.A OH LEU 206.A O no hydrogen 3.170 N/A THR 235.A OG1 GLU 237.A OE1 no hydrogen 3.431 N/A MET 238.A N THR 235.A OG1 no hydrogen 3.092 N/A ALA 239.A N THR 235.A O no hydrogen 3.309 N/A GLU 240.A N ALA 236.A O no hydrogen 2.985 N/A GLU 241.A N GLU 237.A O no hydrogen 3.025 N/A ALA 242.A N MET 238.A O no hydrogen 3.078 N/A GLN 243.A N ALA 239.A O no hydrogen 3.056 N/A GLN 244.A N GLU 240.A O no hydrogen 3.110 N/A GLN 245.A NE2 ALA 242.A O no hydrogen 3.592 N/A ALA 246.A N ALA 242.A O no hydrogen 3.048 N/A GLY 248.A N LEU 256.A O no hydrogen 2.916 N/A LEU 249.A N ALA 246.A O no hydrogen 3.293 N/A LEU 251.A N SER 254.A O no hydrogen 3.414 N/A SER 254.A OG ARG 191.A O no hydrogen 3.023 N/A LEU 256.A N LEU 249.A O no hydrogen 2.870 N/A ARG 257.A N ASP 190.A O no hydrogen 3.086 N/A ARG 257.A NE ASP 190.A OD1 no hydrogen 2.989 N/A ARG 257.A NH1 PRO 164.A O no hydrogen 2.960 N/A ARG 257.A NH2 ASP 190.A OD1 no hydrogen 3.448 N/A ARG 257.A NH2 ASP 190.A OD2 no hydrogen 2.820 N/A VAL 258.A N ASP 247.A OD1 no hydrogen 3.127 N/A SER 259.A N CYS 188.A O no hydrogen 2.810 N/A CYS 261.A N CYS 186.A O no hydrogen 2.989 N/A GLY 267.A N GLU 232.A OE1 no hydrogen 2.675 N/A MET 270.A N PRO 266.A O no hydrogen 2.977 N/A LEU 271.A N GLY 267.A O no hydrogen 3.118 N/A ALA 272.A N ARG 268.A O no hydrogen 3.267 N/A ALA 273.A N SER 269.A O no hydrogen 3.264 N/A LEU 274.A N MET 270.A O no hydrogen 3.051 N/A ILE 275.A N LEU 271.A O no hydrogen 3.136 N/A ALA 276.A N ALA 272.A O no hydrogen 2.917 N/A ALA 277.A N ALA 273.A O no hydrogen 2.798 N/A GLN 278.A N ILE 275.A O no hydrogen 3.102 N/A ALA 279.A N ALA 276.A O no hydrogen 3.348 N/A