Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3npu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N THR 1.A O no hydrogen 3.170 N/A SER 6.A N ASP 2.A O no hydrogen 3.049 N/A SER 7.A N LEU 3.A O no hydrogen 2.953 N/A SER 7.A OG LEU 3.A O no hydrogen 2.750 N/A LEU 8.A N LYS 4.A O no hydrogen 3.017 N/A ARG 9.A N ALA 5.A O no hydrogen 3.043 N/A ARG 9.A NE ASP 224.A OD1 no hydrogen 2.839 N/A ARG 9.A NH1 ASP 215.A OD2 no hydrogen 2.723 N/A ARG 9.A NH2 ASP 215.A OD1 no hydrogen 2.939 N/A ARG 9.A NH2 ASP 224.A OD1 no hydrogen 3.227 N/A ALA 10.A N SER 6.A O no hydrogen 2.883 N/A LEU 11.A N SER 7.A O no hydrogen 3.118 N/A LYS 12.A N LEU 8.A O no hydrogen 3.076 N/A LYS 12.A NZ THR 37.A O no hydrogen 2.942 N/A LEU 13.A N ARG 9.A O no hydrogen 3.158 N/A LEU 13.A N ALA 10.A O no hydrogen 3.123 N/A MET 14.A N LEU 11.A O no hydrogen 3.213 N/A HIS 15.A N ALA 229.A O no hydrogen 2.883 N/A HIS 15.A NE2 ASP 39.A OD2 no hydrogen 3.004 N/A LEU 16.A N ALA 40.A O no hydrogen 3.069 N/A ALA 17.A N GLY 231.A O no hydrogen 2.903 N/A THR 18.A N TYR 42.A O no hydrogen 3.488 N/A THR 20.A OG1 GLU 22.A OE1 no hydrogen 3.247 N/A LYS 23.A N THR 20.A OG1 no hydrogen 3.110 N/A VAL 24.A N THR 20.A O no hydrogen 3.137 N/A ILE 25.A N ASP 21.A O no hydrogen 2.956 N/A ALA 26.A N GLU 22.A O no hydrogen 2.999 N/A LEU 27.A N LYS 23.A O no hydrogen 3.032 N/A CYS 28.A N VAL 24.A O no hydrogen 3.004 N/A CYS 28.A SG VAL 24.A O no hydrogen 3.372 N/A CYS 28.A SG ALA 51.A O no hydrogen 3.871 N/A HIS 29.A N ILE 25.A O no hydrogen 3.176 N/A HIS 29.A ND1 GLN 58.A OE1 no hydrogen 3.120 N/A GLN 30.A N ALA 26.A O no hydrogen 3.100 N/A ALA 31.A N LEU 27.A O no hydrogen 3.016 N/A ALA 31.A N CYS 28.A O no hydrogen 3.170 N/A LYS 32.A N HIS 29.A O no hydrogen 3.344 N/A LYS 32.A NZ GLN 58.A O no hydrogen 2.560 N/A THR 33.A N GLY 36.A O no hydrogen 2.976 N/A THR 33.A OG1 GLY 36.A O no hydrogen 2.860 N/A VAL 35.A N THR 33.A OG1 no hydrogen 3.069 N/A GLY 36.A N THR 33.A O no hydrogen 3.352 N/A THR 38.A N ALA 31.A O no hydrogen 3.024 N/A THR 38.A OG1 ALA 40.A O no hydrogen 3.057 N/A ALA 40.A N MET 14.A O no hydrogen 3.002 N/A ILE 41.A N ARG 64.A O no hydrogen 2.889 N/A TYR 42.A N LEU 16.A O no hydrogen 2.794 N/A TYR 42.A OH SER 68.A OG no hydrogen 2.706 N/A ILE 43.A N TRP 66.A O no hydrogen 3.084 N/A PHE 47.A N TYR 44.A O no hydrogen 3.128 N/A ILE 48.A N PRO 45.A O no hydrogen 3.048 N/A ALA 51.A N PHE 47.A O no hydrogen 3.115 N/A ARG 52.A N ILE 48.A O no hydrogen 2.891 N/A ARG 52.A NH1 ASP 94.A OD2 no hydrogen 2.816 N/A ARG 52.A NH2 GLY 92.A O no hydrogen 2.491 N/A ARG 52.A NH2 ASP 94.A OD1 no hydrogen 3.063 N/A ARG 52.A NH2 ASP 94.A OD2 no hydrogen 3.030 N/A LYS 53.A N PRO 49.A O no hydrogen 3.185 N/A THR 54.A N ILE 50.A O no hydrogen 3.122 N/A THR 54.A OG1 ILE 50.A O no hydrogen 2.563 N/A LEU 55.A N ALA 51.A O no hydrogen 3.001 N/A LYS 56.A N ARG 52.A O no hydrogen 2.990 N/A GLU 57.A N LYS 53.A O no hydrogen 2.910 N/A GLN 58.A N THR 54.A O no hydrogen 2.997 N/A GLN 58.A NE2 CYS 28.A O no hydrogen 2.901 N/A GLN 58.A NE2 THR 60.A OG1 no hydrogen 2.980 N/A GLY 59.A N LYS 56.A O no hydrogen 2.898 N/A THR 60.A N LEU 55.A O no hydrogen 2.777 N/A THR 60.A OG1 LEU 55.A O no hydrogen 3.480 N/A THR 60.A OG1 THR 60.A O no hydrogen 2.693 N/A GLU 62.A N GLU 62.A OE1 no hydrogen 2.752 N/A ILE 63.A N THR 60.A O no hydrogen 3.319 N/A ARG 64.A N ASP 39.A O no hydrogen 2.978 N/A ILE 65.A N ASP 94.A OD2 no hydrogen 3.004 N/A TRP 66.A N ILE 41.A O no hydrogen 2.863 N/A THR 67.A N GLY 95.A O no hydrogen 3.179 N/A THR 67.A OG1 ILE 43.A O no hydrogen 2.587 N/A SER 68.A OG TYR 42.A OH no hydrogen 2.706 N/A THR 69.A N ALA 97.A O no hydrogen 2.910 N/A THR 69.A OG1 THR 85.A OG1 no hydrogen 3.053 N/A ASN 70.A N GLU 84.A OE1 no hydrogen 2.607 N/A ASN 70.A ND2 ASN 75.A O no hydrogen 2.945 N/A ASN 70.A ND2 VAL 99.A O no hydrogen 2.789 N/A GLY 74.A N ASN 70.A O no hydrogen 3.014 N/A ILE 80.A N ASP 77.A OD1 no hydrogen 3.070 N/A ALA 81.A N ASP 77.A O no hydrogen 3.378 N/A LEU 82.A N ILE 78.A O no hydrogen 2.969 N/A ALA 83.A N ASP 79.A O no hydrogen 3.024 N/A GLU 84.A N ILE 80.A O no hydrogen 2.910 N/A THR 85.A N ALA 81.A O no hydrogen 2.963 N/A THR 85.A OG1 THR 69.A OG1 no hydrogen 3.053 N/A THR 85.A OG1 ALA 81.A O no hydrogen 2.825 N/A ARG 86.A N LEU 82.A O no hydrogen 2.975 N/A ALA 87.A N ALA 83.A O no hydrogen 2.962 N/A ALA 88.A N GLU 84.A O no hydrogen 2.964 N/A ILE 89.A N THR 85.A O no hydrogen 2.950 N/A ALA 90.A N ARG 86.A O no hydrogen 2.909 N/A TYR 91.A N ALA 87.A O no hydrogen 2.969 N/A GLY 92.A N ALA 88.A O no hydrogen 3.257 N/A GLY 92.A N ILE 89.A O no hydrogen 2.932 N/A ALA 93.A N ALA 88.A O no hydrogen 3.195 N/A ASP 94.A N ILE 65.A O no hydrogen 2.857 N/A GLY 95.A N ILE 65.A O no hydrogen 3.365 N/A VAL 96.A N LEU 130.A O no hydrogen 2.749 N/A ALA 97.A N THR 67.A O no hydrogen 2.663 N/A VAL 98.A N SER 132.A O no hydrogen 2.935 N/A VAL 99.A N THR 69.A O no hydrogen 3.219 N/A PHE 100.A N ILE 134.A O no hydrogen 2.844 N/A TYR 102.A N PHE 100.A O no hydrogen 2.733 N/A ARG 103.A NH1 HIS 73.A O no hydrogen 2.733 N/A LEU 105.A N PRO 101.A O no hydrogen 3.236 N/A MET 106.A N TYR 102.A O no hydrogen 2.917 N/A ALA 107.A N ARG 103.A O no hydrogen 2.991 N/A GLY 108.A N LEU 105.A O no hydrogen 2.793 N/A ASN 109.A N ALA 104.A O no hydrogen 2.701 N/A GLN 111.A NE2 ASP 115.A OD1 no hydrogen 2.858 N/A VAL 112.A N ASN 109.A OD1 no hydrogen 3.024 N/A PHE 114.A N GLU 110.A O no hydrogen 3.412 N/A ASP 115.A N GLN 111.A O no hydrogen 2.920 N/A LEU 116.A N VAL 112.A O no hydrogen 2.888 N/A VAL 117.A N GLY 113.A O no hydrogen 3.322 N/A LYS 118.A N PHE 114.A O no hydrogen 3.005 N/A ALA 119.A N ASP 115.A O no hydrogen 3.027 N/A CYS 120.A N LEU 116.A O no hydrogen 3.005 N/A CYS 120.A SG THR 85.A OG1 no hydrogen 3.414 N/A CYS 120.A SG LEU 116.A O no hydrogen 3.503 N/A LYS 121.A N VAL 117.A O no hydrogen 2.767 N/A LYS 121.A NZ GLY 157.A O no hydrogen 2.876 N/A GLU 122.A N LYS 118.A O no hydrogen 3.045 N/A ALA 123.A N ALA 119.A O no hydrogen 3.485 N/A CYS 124.A N CYS 120.A O no hydrogen 3.188 N/A CYS 124.A SG CYS 120.A O no hydrogen 3.225 N/A ALA 125.A N LYS 121.A O no hydrogen 2.759 N/A ALA 126.A N GLU 122.A O no hydrogen 2.921 N/A ALA 127.A N CYS 124.A O no hydrogen 2.988 N/A ASN 128.A N ALA 125.A O no hydrogen 3.293 N/A VAL 129.A N CYS 124.A O no hydrogen 2.947 N/A LEU 130.A N ASP 94.A O no hydrogen 2.905 N/A LEU 131.A N ASP 159.A OD2 no hydrogen 2.897 N/A SER 132.A N VAL 96.A O no hydrogen 2.966 N/A VAL 133.A N HIS 160.A O no hydrogen 3.072 N/A ILE 134.A N VAL 98.A O no hydrogen 2.776 N/A ILE 135.A N VAL 162.A O no hydrogen 2.955 N/A THR 137.A N THR 163.A O no hydrogen 2.918 N/A GLU 139.A N GLU 136.A O no hydrogen 3.036 N/A LEU 140.A N GLU 136.A O no hydrogen 3.038 N/A LYS 141.A N THR 137.A O no hydrogen 2.963 N/A LYS 141.A NZ GLY 138.A O no hydrogen 3.485 N/A ASP 142.A N LEU 140.A O no hydrogen 2.763 N/A ILE 146.A N ASP 142.A O no hydrogen 2.959 N/A ARG 147.A N GLU 143.A O no hydrogen 2.963 N/A ARG 147.A NE GLU 143.A OE2 no hydrogen 3.069 N/A ARG 147.A NH2 GLU 143.A OE2 no hydrogen 2.508 N/A ARG 147.A NH2 GLU 182.A OE1 no hydrogen 3.107 N/A LYS 148.A N ALA 144.A O no hydrogen 3.076 N/A LYS 148.A NZ GLU 151.A OE1 no hydrogen 3.336 N/A LYS 148.A NZ GLU 151.A OE2 no hydrogen 2.787 N/A ALA 149.A N LEU 145.A O no hydrogen 2.878 N/A SER 150.A N ILE 146.A O no hydrogen 3.049 N/A SER 150.A OG ILE 146.A O no hydrogen 2.708 N/A GLU 151.A N ARG 147.A O no hydrogen 2.884 N/A ILE 152.A N LYS 148.A O no hydrogen 2.875 N/A SER 153.A N ALA 149.A O no hydrogen 3.141 N/A SER 153.A OG ALA 149.A O no hydrogen 2.717 N/A ILE 154.A N SER 150.A O no hydrogen 3.000 N/A LYS 155.A N GLU 151.A O no hydrogen 3.136 N/A LYS 155.A NZ GLU 151.A OE1 no hydrogen 2.836 N/A ALA 156.A N ILE 152.A O no hydrogen 3.040 N/A GLY 157.A N SER 153.A O no hydrogen 3.177 N/A GLY 157.A N ILE 154.A O no hydrogen 3.012 N/A ALA 158.A N SER 153.A O no hydrogen 2.899 N/A ASP 159.A N LEU 131.A O no hydrogen 2.802 N/A HIS 160.A N LEU 131.A O no hydrogen 3.450 N/A ILE 161.A N GLY 194.A O no hydrogen 3.115 N/A VAL 162.A N VAL 133.A O no hydrogen 2.769 N/A THR 163.A N ILE 196.A O no hydrogen 3.170 N/A THR 163.A OG1 SER 164.A OG no hydrogen 3.227 N/A THR 163.A OG1 ALA 198.A O no hydrogen 3.029 N/A SER 164.A OG THR 163.A OG1 no hydrogen 3.227 N/A THR 165.A N GLU 136.A OE1 no hydrogen 3.052 N/A THR 165.A OG1 GLU 136.A OE1 no hydrogen 3.475 N/A THR 165.A OG1 GLU 136.A OE2 no hydrogen 2.631 N/A LYS 167.A N THR 165.A OG1 no hydrogen 3.015 N/A ALA 172.A N ALA 198.A O no hydrogen 3.027 N/A ALA 172.A N GLY 199.A O no hydrogen 3.245 N/A THR 173.A OG1 SER 176.A OG no hydrogen 3.099 N/A SER 176.A N THR 173.A OG1 no hydrogen 3.030 N/A SER 176.A OG THR 173.A OG1 no hydrogen 3.099 N/A ALA 177.A N THR 173.A O no hydrogen 2.919 N/A ARG 178.A N PRO 174.A O no hydrogen 2.910 N/A ARG 178.A NH1 GLU 216.A OE1 no hydrogen 3.440 N/A ARG 178.A NH1 GLU 216.A OE2 no hydrogen 3.130 N/A ARG 178.A NH2 GLU 216.A OE1 no hydrogen 2.840 N/A ILE 179.A N GLU 175.A O no hydrogen 2.839 N/A MET 180.A N SER 176.A O no hydrogen 3.218 N/A MET 181.A N ALA 177.A O no hydrogen 3.143 N/A GLU 182.A N ARG 178.A O no hydrogen 3.072 N/A VAL 183.A N ILE 179.A O no hydrogen 3.094 N/A ILE 184.A N MET 180.A O no hydrogen 3.233 N/A ARG 185.A N MET 181.A O no hydrogen 2.906 N/A ARG 185.A NE ASP 186.A OD1 no hydrogen 3.518 N/A ARG 185.A NH2 ASP 186.A OD1 no hydrogen 3.501 N/A ASP 186.A N GLU 182.A O no hydrogen 2.711 N/A MET 187.A N VAL 183.A O no hydrogen 2.994 N/A GLY 188.A N ARG 185.A O no hydrogen 2.992 N/A VAL 189.A N ILE 184.A O no hydrogen 3.185 N/A THR 192.A N VAL 189.A O no hydrogen 3.164 N/A THR 192.A OG1 VAL 189.A O no hydrogen 3.430 N/A GLY 194.A N ASP 159.A O no hydrogen 2.982 N/A PHE 195.A N ARG 226.A O no hydrogen 3.060 N/A ILE 196.A N ILE 161.A O no hydrogen 2.942 N/A ALA 198.A N THR 163.A OG1 no hydrogen 2.885 N/A ARG 202.A N ASP 206.A OD2 no hydrogen 2.962 N/A THR 203.A N ASP 206.A OD2 no hydrogen 3.086 N/A ALA 204.A N SER 238.A OG no hydrogen 2.922 N/A GLU 205.A N GLU 205.A OE1 no hydrogen 2.765 N/A ASP 206.A N THR 203.A OG1 no hydrogen 3.076 N/A ALA 207.A N THR 203.A O no hydrogen 3.120 N/A GLN 208.A N ALA 204.A O no hydrogen 2.951 N/A LYS 209.A N GLU 205.A O no hydrogen 3.233 N/A TYR 210.A N ASP 206.A O no hydrogen 3.279 N/A LEU 211.A N ALA 207.A O no hydrogen 2.978 N/A ALA 212.A N GLN 208.A O no hydrogen 2.971 N/A ILE 213.A N LYS 209.A O no hydrogen 3.405 N/A ALA 214.A N TYR 210.A O no hydrogen 3.418 N/A ASP 215.A N LEU 211.A O no hydrogen 2.866 N/A GLU 216.A N ALA 212.A O no hydrogen 2.793 N/A LEU 217.A N ILE 213.A O no hydrogen 2.965 N/A PHE 218.A N ALA 214.A O no hydrogen 2.903 N/A GLY 219.A N ASP 215.A O no hydrogen 2.645 N/A TRP 222.A NE1 GLU 190.A O no hydrogen 2.729 N/A ALA 223.A N GLY 219.A O no hydrogen 3.352 N/A ALA 225.A N TRP 222.A O no hydrogen 3.103 N/A HIS 227.A N ALA 223.A O no hydrogen 3.278 N/A TYR 228.A N PHE 195.A O no hydrogen 3.175 N/A ALA 229.A N LEU 13.A O no hydrogen 3.199 N/A LEU 235.A N ALA 232.A O no hydrogen 2.929 N/A LEU 236.A N ALA 232.A O no hydrogen 3.291 N/A ALA 237.A N SER 233.A O no hydrogen 3.014 N/A SER 238.A N SER 234.A O no hydrogen 3.199 N/A LEU 239.A N LEU 235.A O no hydrogen 3.040 N/A LEU 240.A N LEU 236.A O no hydrogen 2.891 N/A LYS 241.A N ALA 237.A O no hydrogen 2.890 N/A LYS 241.A NZ SER 238.A O no hydrogen 3.251 N/A ALA 242.A N SER 238.A O no hydrogen 2.947 N/A LEU 243.A N LEU 239.A O no hydrogen 3.249 N/A LEU 243.A N LEU 240.A O no hydrogen 3.159 N/A GLY 244.A N LYS 241.A O no hydrogen 2.897 N/A HIS 245.A N LEU 240.A O no hydrogen 2.889 N/A