Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1sui_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 9.A N SER 6.A OG no hydrogen 3.150 N/A TYR 10.A N SER 6.A O no hydrogen 3.420 N/A TYR 10.A OH ASP 46.A OD1 no hydrogen 2.817 N/A GLN 11.A N ASP 7.A O no hydrogen 3.228 N/A TYR 12.A N ALA 8.A O no hydrogen 2.976 N/A ILE 13.A N LEU 9.A O no hydrogen 3.251 N/A LEU 14.A N TYR 10.A O no hydrogen 3.194 N/A GLU 15.A N GLN 11.A O no hydrogen 2.717 N/A THR 16.A N TYR 12.A O no hydrogen 3.027 N/A THR 16.A OG1 TYR 12.A O no hydrogen 2.767 N/A SER 17.A N ILE 13.A O no hydrogen 2.910 N/A SER 17.A OG ILE 13.A O no hydrogen 2.827 N/A VAL 18.A N LEU 14.A O no hydrogen 3.228 N/A PHE 19.A N LEU 14.A O no hydrogen 2.832 N/A GLU 24.A N GLU 22.A O no hydrogen 2.388 N/A LYS 27.A NZ GLU 22.A OE2 no hydrogen 2.988 N/A GLU 28.A N GLU 24.A O no hydrogen 2.682 N/A LEU 29.A N ALA 25.A O no hydrogen 2.818 N/A ARG 30.A N MET 26.A O no hydrogen 2.852 N/A ARG 30.A NH1 GLU 22.A OE1 no hydrogen 3.072 N/A ARG 30.A NH2 GLU 22.A OE1 no hydrogen 2.922 N/A ARG 30.A NH2 GLU 22.A OE2 no hydrogen 2.334 N/A GLU 31.A N GLU 28.A O no hydrogen 2.450 N/A VAL 32.A N GLU 28.A O no hydrogen 3.022 N/A THR 33.A N LEU 29.A O no hydrogen 3.048 N/A THR 33.A OG1 LEU 29.A O no hydrogen 2.951 N/A THR 33.A OG1 THR 70.A OG1 no hydrogen 3.268 N/A ALA 34.A N GLU 31.A O no hydrogen 3.234 N/A LYS 35.A N VAL 32.A O no hydrogen 3.259 N/A HIS 36.A N THR 33.A O no hydrogen 2.995 N/A TRP 38.A N HIS 36.A ND1 no hydrogen 3.384 N/A ASN 39.A N HIS 36.A O no hydrogen 3.176 N/A ASN 39.A ND2 HIS 36.A O no hydrogen 2.817 N/A MET 41.A N TRP 38.A O no hydrogen 3.026 N/A THR 42.A N ASN 39.A O no hydrogen 3.144 N/A THR 42.A OG1 THR 43.A O no hydrogen 3.497 N/A THR 43.A OG1 SER 73.A OG no hydrogen 3.164 N/A THR 43.A OG1 ASP 143.A OD2 no hydrogen 3.519 N/A SER 44.A OG ASP 46.A OD1 no hydrogen 2.556 N/A GLY 48.A N SER 44.A O no hydrogen 2.970 N/A GLN 49.A N ALA 45.A O no hydrogen 3.101 N/A PHE 50.A N ASP 46.A O no hydrogen 2.990 N/A LEU 51.A N GLU 47.A O no hydrogen 3.034 N/A SER 52.A N GLY 48.A O no hydrogen 2.962 N/A SER 52.A OG GLY 48.A O no hydrogen 3.293 N/A MET 53.A N GLN 49.A O no hydrogen 3.024 N/A LEU 54.A N PHE 50.A O no hydrogen 2.827 N/A LEU 55.A N LEU 51.A O no hydrogen 2.732 N/A LYS 56.A N SER 52.A O no hydrogen 3.045 N/A LEU 57.A N MET 53.A O no hydrogen 2.883 N/A ILE 58.A N LEU 54.A O no hydrogen 3.132 N/A ASN 59.A N LYS 56.A O no hydrogen 3.118 N/A ALA 60.A N LEU 55.A O no hydrogen 3.270 N/A LYS 61.A N ASP 138.A OD2 no hydrogen 2.713 N/A ASN 62.A N ASP 138.A OD2 no hydrogen 2.847 N/A ASN 62.A ND2 SER 136.A O no hydrogen 2.540 N/A THR 63.A N LYS 86.A O no hydrogen 2.799 N/A MET 64.A N PHE 139.A O no hydrogen 3.009 N/A GLU 65.A N LEU 88.A O no hydrogen 2.848 N/A ILE 66.A N PHE 141.A O no hydrogen 2.811 N/A GLY 67.A N MET 90.A O no hydrogen 2.866 N/A VAL 68.A N ASP 91.A OD2 no hydrogen 2.708 N/A TYR 69.A N ASP 91.A OD2 no hydrogen 3.126 N/A TYR 69.A OH HIS 36.A ND1 no hydrogen 3.223 N/A THR 70.A OG1 THR 33.A OG1 no hydrogen 3.268 N/A GLY 71.A N VAL 68.A O no hydrogen 3.211 N/A GLY 71.A N TYR 69.A O no hydrogen 2.356 N/A SER 73.A OG THR 43.A OG1 no hydrogen 3.164 N/A LEU 75.A N GLY 71.A O no hydrogen 2.766 N/A ALA 76.A N TYR 72.A O no hydrogen 3.070 N/A THR 77.A N SER 73.A O no hydrogen 2.835 N/A THR 77.A OG1 SER 73.A O no hydrogen 2.702 N/A ALA 78.A N LEU 74.A O no hydrogen 2.752 N/A LEU 79.A N LEU 75.A O no hydrogen 2.965 N/A ALA 80.A N ALA 76.A O no hydrogen 3.143 N/A ALA 80.A N THR 77.A O no hydrogen 2.979 N/A ILE 81.A N THR 77.A O no hydrogen 3.014 N/A ASP 84.A N ASP 84.A OD1 no hydrogen 2.545 N/A GLY 85.A N PRO 82.A O no hydrogen 2.875 N/A LYS 86.A N LYS 61.A O no hydrogen 2.989 N/A LYS 86.A NZ ASP 84.A O no hydrogen 2.828 N/A ILE 87.A N LYS 112.A O no hydrogen 2.851 N/A LEU 88.A N THR 63.A O no hydrogen 2.865 N/A ALA 89.A N ASP 114.A O no hydrogen 3.024 N/A MET 90.A N GLU 65.A O no hydrogen 2.883 N/A ASP 91.A N ARG 116.A O no hydrogen 3.415 N/A ASN 93.A N ASP 91.A OD1 no hydrogen 2.938 N/A GLU 95.A N ASN 93.A OD1 no hydrogen 2.646 N/A ASN 96.A N ASN 93.A OD1 no hydrogen 2.876 N/A GLU 98.A N LYS 94.A O no hydrogen 3.244 N/A GLU 98.A N GLU 95.A O no hydrogen 2.990 N/A LEU 99.A N ASN 96.A O no hydrogen 2.893 N/A GLY 100.A N TYR 97.A O no hydrogen 3.321 N/A LEU 101.A N TYR 97.A O no hydrogen 3.158 N/A VAL 103.A N GLY 100.A O no hydrogen 2.911 N/A ILE 104.A N GLY 100.A O no hydrogen 3.233 N/A LYS 105.A N LEU 101.A O no hydrogen 2.930 N/A LYS 106.A N PRO 102.A O no hydrogen 2.890 N/A LYS 106.A NZ GLU 28.A OE1 no hydrogen 3.312 N/A LYS 106.A NZ GLU 28.A OE2 no hydrogen 3.196 N/A ALA 107.A N VAL 103.A O no hydrogen 2.786 N/A GLY 108.A N LYS 105.A O no hydrogen 2.860 N/A VAL 109.A N ILE 104.A O no hydrogen 3.069 N/A HIS 111.A NE2 GLU 83.A O no hydrogen 3.211 N/A LYS 112.A N VAL 109.A O no hydrogen 3.210 N/A LYS 112.A NZ ALA 78.A O no hydrogen 2.668 N/A LYS 112.A NZ ILE 81.A O no hydrogen 2.870 N/A LYS 112.A NZ PRO 82.A O no hydrogen 2.934 N/A ILE 113.A N ASP 110.A O no hydrogen 3.296 N/A ASP 114.A N ILE 87.A O no hydrogen 2.862 N/A ARG 116.A N ALA 89.A O no hydrogen 2.828 N/A ARG 116.A NE ASP 114.A OD1 no hydrogen 3.262 N/A ARG 116.A NE ASP 114.A OD2 no hydrogen 3.123 N/A GLY 118.A N ASP 91.A O no hydrogen 2.918 N/A LEU 124.A N ALA 120.A O no hydrogen 2.917 N/A ASP 125.A N LEU 121.A O no hydrogen 2.764 N/A GLU 126.A N PRO 122.A O no hydrogen 2.955 N/A MET 127.A N VAL 123.A O no hydrogen 3.035 N/A ILE 128.A N LEU 124.A O no hydrogen 3.012 N/A LYS 129.A N GLU 126.A O no hydrogen 3.180 N/A ASP 130.A N MET 127.A O no hydrogen 3.187 N/A LYS 132.A N ASP 130.A OD1 no hydrogen 2.783 N/A ASN 133.A N ASP 130.A O no hydrogen 3.176 N/A ASN 133.A ND2 MET 127.A O no hydrogen 3.167 N/A ASN 133.A ND2 ASP 130.A O no hydrogen 3.689 N/A HIS 134.A N GLU 131.A O no hydrogen 3.142 N/A HIS 134.A NE2 ILE 128.A O no hydrogen 2.862 N/A GLY 135.A N ASP 158.A O no hydrogen 2.819 N/A SER 136.A N ASN 133.A O no hydrogen 3.216 N/A SER 136.A OG ASN 133.A O no hydrogen 2.680 N/A TYR 137.A N LEU 159.A O no hydrogen 3.332 N/A ASP 138.A N ASN 62.A O no hydrogen 2.859 N/A ILE 140.A N VAL 165.A O no hydrogen 3.348 N/A PHE 141.A N MET 64.A O no hydrogen 2.857 N/A VAL 142.A N GLY 167.A O no hydrogen 2.756 N/A ASP 143.A N ILE 66.A O no hydrogen 2.814 N/A LYS 146.A NZ ALA 144.A O no hydrogen 3.424 N/A LYS 146.A NZ TYR 149.A OH no hydrogen 2.784 N/A LYS 146.A NZ ASN 170.A OD1 no hydrogen 3.369 N/A ASN 148.A ND2 ASP 145.A OD2 no hydrogen 3.047 N/A TYR 149.A N LYS 146.A O no hydrogen 3.252 N/A TYR 149.A OH ALA 144.A O no hydrogen 3.246 N/A ASN 151.A ND2 ASN 148.A OD1 no hydrogen 3.069 N/A TYR 152.A N ASN 148.A O no hydrogen 2.841 N/A TYR 152.A OH ASP 145.A OD1 no hydrogen 2.396 N/A HIS 153.A N TYR 149.A O no hydrogen 2.789 N/A HIS 153.A ND1 TYR 168.A OH no hydrogen 2.763 N/A HIS 153.A NE2 ASP 206.A OD2 no hydrogen 2.857 N/A LYS 154.A N LEU 150.A O no hydrogen 3.250 N/A ARG 155.A N TYR 152.A O no hydrogen 2.936 N/A ARG 155.A NE ASP 125.A OD1 no hydrogen 2.713 N/A ARG 155.A NH1 ASN 151.A O no hydrogen 3.141 N/A ARG 155.A NH2 ASP 125.A OD1 no hydrogen 2.659 N/A ARG 155.A NH2 ASP 125.A OD2 no hydrogen 2.718 N/A LEU 156.A N TYR 152.A O no hydrogen 2.600 N/A ILE 157.A N HIS 153.A O no hydrogen 3.105 N/A ASP 158.A N ARG 155.A O no hydrogen 3.206 N/A LEU 159.A N LEU 156.A O no hydrogen 3.038 N/A VAL 160.A N LEU 156.A O no hydrogen 2.913 N/A LYS 161.A N TYR 137.A O no hydrogen 3.155 N/A LYS 161.A NZ ASP 138.A OD1 no hydrogen 2.499 N/A ILE 166.A N CYS 223.A O no hydrogen 2.845 N/A GLY 167.A N ILE 140.A O no hydrogen 2.743 N/A TYR 168.A N THR 221.A O no hydrogen 3.169 N/A TYR 168.A OH HIS 153.A ND1 no hydrogen 2.763 N/A ASP 169.A N VAL 142.A O no hydrogen 3.042 N/A ASN 170.A N GLY 219.A O no hydrogen 2.771 N/A ASN 170.A ND2 ASP 218.A OD2 no hydrogen 2.840 N/A THR 171.A N GLY 219.A O no hydrogen 3.278 N/A THR 171.A OG1 TYR 168.A O no hydrogen 2.990 N/A THR 171.A OG1 THR 221.A OG1 no hydrogen 3.330 N/A LEU 172.A N ASP 218.A O no hydrogen 3.117 N/A TRP 173.A N ASN 170.A O no hydrogen 2.859 N/A TRP 173.A NE1 VAL 189.A O no hydrogen 2.876 N/A ASN 174.A N ASP 218.A OD1 no hydrogen 2.806 N/A GLY 175.A N LEU 172.A O no hydrogen 2.542 N/A SER 176.A N TRP 173.A O no hydrogen 3.102 N/A SER 176.A OG TRP 173.A O no hydrogen 2.662 N/A VAL 178.A N GLY 175.A O no hydrogen 2.957 N/A ALA 179.A N SER 176.A O no hydrogen 3.404 N/A ASP 182.A N PRO 180.A O no hydrogen 2.473 N/A ALA 183.A N PRO 180.A O no hydrogen 2.911 N/A ARG 190.A N ARG 186.A O no hydrogen 3.064 N/A TYR 191.A N LYS 187.A O no hydrogen 3.141 N/A TYR 192.A N TYR 188.A O no hydrogen 3.015 N/A ARG 193.A N VAL 189.A O no hydrogen 3.018 N/A ARG 193.A NH1 SER 176.A O no hydrogen 3.489 N/A VAL 196.A N TYR 192.A O no hydrogen 2.914 N/A LEU 197.A N ARG 193.A O no hydrogen 3.004 N/A GLU 198.A N ASP 194.A O no hydrogen 3.102 N/A LEU 199.A N PHE 195.A O no hydrogen 2.748 N/A ASN 200.A N VAL 196.A O no hydrogen 2.773 N/A ASN 200.A ND2 THR 171.A O no hydrogen 3.026 N/A LYS 201.A N LEU 197.A O no hydrogen 3.104 N/A ALA 202.A N GLU 198.A O no hydrogen 3.170 N/A LEU 203.A N LEU 199.A O no hydrogen 2.947 N/A ALA 204.A N ASN 200.A O no hydrogen 2.831 N/A VAL 205.A N LYS 201.A O no hydrogen 3.181 N/A VAL 205.A N ALA 202.A O no hydrogen 3.134 N/A ASP 206.A N LEU 203.A O no hydrogen 3.279 N/A ARG 208.A N ASP 206.A OD1 no hydrogen 2.781 N/A ARG 208.A NE LYS 227.A O no hydrogen 2.832 N/A ARG 208.A NH2 ASP 158.A OD1 no hydrogen 3.283 N/A ARG 208.A NH2 LYS 227.A OXT no hydrogen 3.135 N/A ILE 209.A N ASP 206.A O no hydrogen 3.263 N/A GLU 210.A N ARG 224.A O no hydrogen 2.861 N/A LEU 214.A N ILE 220.A O no hydrogen 2.964 N/A GLY 219.A N VAL 216.A O no hydrogen 2.733 N/A ILE 220.A N LEU 214.A O no hydrogen 3.108 N/A THR 221.A N TYR 168.A O no hydrogen 2.828 N/A THR 221.A OG1 THR 171.A OG1 no hydrogen 3.330 N/A ILE 222.A N CYS 212.A O no hydrogen 2.748 N/A CYS 223.A N ILE 166.A O no hydrogen 2.926 N/A CYS 223.A SG THR 221.A O no hydrogen 3.814 N/A ARG 225.A NH1 VAL 160.A O no hydrogen 2.549 N/A ARG 225.A NH2 LYS 227.A OXT no hydrogen 2.944 N/A ILE 226.A N ARG 208.A O no hydrogen 2.885 N/A