Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ise_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N ASP 2.A OD2 no hydrogen 2.884 N/A ILE 6.A N ASP 2.A O no hydrogen 3.243 N/A GLN 7.A N LYS 3.A O no hydrogen 3.059 N/A HIS 8.A N LYS 4.A O no hydrogen 2.755 N/A LEU 9.A N VAL 5.A O no hydrogen 2.748 N/A ASN 10.A N ILE 6.A O no hydrogen 2.962 N/A ASN 10.A ND2 ILE 6.A O no hydrogen 3.406 N/A ASN 10.A ND2 LEU 66.A O no hydrogen 3.199 N/A LYS 11.A N GLN 7.A O no hydrogen 2.897 N/A ILE 12.A N HIS 8.A O no hydrogen 3.030 N/A LEU 13.A N LEU 9.A O no hydrogen 2.879 N/A GLY 14.A N ASN 10.A O no hydrogen 2.881 N/A ASN 15.A N LYS 11.A O no hydrogen 3.191 N/A ASN 15.A ND2 ASP 98.A OD2 no hydrogen 2.892 N/A GLU 16.A N ILE 12.A O no hydrogen 2.930 N/A LEU 17.A N LEU 13.A O no hydrogen 3.018 N/A ILE 18.A N GLY 14.A O no hydrogen 3.409 N/A ALA 19.A N ASN 15.A O no hydrogen 2.988 N/A ILE 20.A N GLU 16.A O no hydrogen 2.898 N/A ASN 21.A N LEU 17.A O no hydrogen 3.339 N/A GLN 22.A N ILE 18.A O no hydrogen 2.822 N/A GLN 22.A NE2 ASP 88.A OD1 no hydrogen 2.908 N/A TYR 23.A N ALA 19.A O no hydrogen 2.722 N/A TYR 23.A OH GLU 92.A OE2 no hydrogen 2.606 N/A PHE 24.A N ILE 20.A O no hydrogen 2.944 N/A LEU 25.A N ASN 21.A O no hydrogen 3.013 N/A HIS 26.A N GLN 22.A O no hydrogen 2.939 N/A HIS 26.A ND1 ASP 88.A OD1 no hydrogen 2.973 N/A SER 27.A N TYR 23.A O no hydrogen 2.835 N/A SER 27.A OG GLY 39.A O no hydrogen 2.455 N/A ARG 28.A N PHE 24.A O no hydrogen 3.207 N/A ARG 28.A NH1 SER 27.A OG no hydrogen 2.789 N/A MET 29.A N LEU 25.A O no hydrogen 3.015 N/A TRP 30.A N HIS 26.A O no hydrogen 2.941 N/A TRP 30.A NE1 THR 81.A OG1 no hydrogen 3.019 N/A ASN 31.A N SER 27.A O no hydrogen 3.000 N/A ASP 32.A N ARG 28.A O no hydrogen 2.885 N/A TRP 33.A N MET 29.A O no hydrogen 3.035 N/A GLY 34.A N ASN 31.A O no hydrogen 2.875 N/A LEU 35.A N TRP 30.A O no hydrogen 2.865 N/A LYS 36.A N MET 152.A O no hydrogen 3.308 N/A ARG 37.A N HIS 151.A O no hydrogen 3.262 N/A ARG 37.A NH1 HIS 153.A O no hydrogen 3.473 N/A GLY 39.A N LEU 35.A O no hydrogen 2.930 N/A ALA 40.A N LYS 36.A O no hydrogen 2.901 N/A HIS 41.A N ARG 37.A O no hydrogen 3.045 N/A GLU 42.A N LEU 38.A O no hydrogen 2.863 N/A TYR 43.A N GLY 39.A O no hydrogen 3.056 N/A HIS 44.A N ALA 40.A O no hydrogen 3.208 N/A HIS 44.A N HIS 41.A O no hydrogen 3.180 N/A HIS 44.A ND1 ALA 40.A O no hydrogen 2.819 N/A GLU 45.A N HIS 41.A O no hydrogen 3.125 N/A SER 46.A N GLU 42.A O no hydrogen 2.911 N/A SER 46.A OG ILE 20.A O no hydrogen 2.919 N/A ILE 47.A N TYR 43.A O no hydrogen 3.130 N/A ASP 48.A N HIS 44.A O no hydrogen 3.068 N/A GLU 49.A N GLU 45.A O no hydrogen 3.193 N/A MET 50.A N SER 46.A O no hydrogen 3.057 N/A LYS 51.A N ILE 47.A O no hydrogen 3.029 N/A HIS 52.A N ASP 48.A O no hydrogen 3.233 N/A HIS 52.A ND1 GLU 16.A OE2 no hydrogen 3.048 N/A HIS 52.A ND1 GLU 49.A OE1 no hydrogen 2.580 N/A HIS 52.A ND1 GLU 125.A OE2 no hydrogen 3.139 N/A ALA 53.A N GLU 49.A O no hydrogen 3.005 N/A ASP 54.A N MET 50.A O no hydrogen 3.062 N/A LYS 55.A N LYS 51.A O no hydrogen 3.007 N/A LEU 56.A N HIS 52.A O no hydrogen 2.764 N/A ILE 57.A N ALA 53.A O no hydrogen 2.911 N/A GLU 58.A N ASP 54.A O no hydrogen 3.090 N/A ARG 59.A N LYS 55.A O no hydrogen 3.269 N/A ARG 59.A NE SER 114.A OG no hydrogen 3.012 N/A ARG 59.A NH2 ASP 111.A OD1 no hydrogen 2.920 N/A ARG 59.A NH2 SER 114.A OG no hydrogen 3.123 N/A ILE 60.A N LEU 56.A O no hydrogen 3.014 N/A LEU 61.A N ILE 57.A O no hydrogen 3.248 N/A PHE 62.A N GLU 58.A O no hydrogen 2.973 N/A LEU 63.A N ARG 59.A O no hydrogen 2.955 N/A GLU 64.A N LEU 61.A O no hydrogen 3.202 N/A GLY 65.A N ILE 60.A O no hydrogen 3.047 N/A ASN 68.A N ASN 10.A OD1 no hydrogen 2.828 N/A ASN 68.A ND2 ASP 71.A OD2 no hydrogen 3.181 N/A GLN 70.A N ASN 68.A OD1 no hydrogen 2.856 N/A GLN 70.A NE2 GLN 70.A O no hydrogen 3.379 N/A ASP 71.A N ASN 68.A OD1 no hydrogen 3.165 N/A LEU 76.A N GLN 22.A OE1 no hydrogen 3.035 N/A GLY 78.A N HIS 26.A NE2 no hydrogen 3.152 N/A GLU 79.A N GLU 83.A OE2 no hydrogen 3.394 N/A GLU 83.A N ASN 80.A OD1 no hydrogen 3.095 N/A MET 84.A N ASN 80.A O no hydrogen 2.936 N/A LEU 85.A N THR 81.A O no hydrogen 2.970 N/A GLN 86.A N GLN 82.A O no hydrogen 2.989 N/A GLN 86.A NE2 ASN 90.A OD1 no hydrogen 2.927 N/A CYS 87.A N GLU 83.A O no hydrogen 2.771 N/A CYS 87.A SG GLU 83.A O no hydrogen 3.147 N/A ASP 88.A N MET 84.A O no hydrogen 3.001 N/A LEU 89.A N LEU 85.A O no hydrogen 3.025 N/A ASN 90.A N GLN 86.A O no hydrogen 3.015 N/A LEU 91.A N CYS 87.A O no hydrogen 3.055 N/A GLU 92.A N ASP 88.A O no hydrogen 2.975 N/A GLU 92.A N LEU 89.A O no hydrogen 2.998 N/A LEU 93.A N LEU 89.A O no hydrogen 2.949 N/A LYS 94.A N ASN 90.A O no hydrogen 3.139 N/A LYS 94.A NZ ASP 98.A OD2 no hydrogen 2.764 N/A ALA 95.A N LEU 91.A O no hydrogen 2.934 N/A THR 96.A N GLU 92.A O no hydrogen 2.887 N/A LYS 97.A N LEU 93.A O no hydrogen 3.107 N/A LYS 97.A N LYS 94.A O no hydrogen 3.065 N/A ASP 98.A N LYS 94.A O no hydrogen 3.171 N/A LEU 99.A N ALA 95.A O no hydrogen 3.193 N/A ARG 100.A N THR 96.A O no hydrogen 3.271 N/A ARG 100.A NH2 GLU 126.A OE2 no hydrogen 2.886 N/A GLU 101.A N LYS 97.A O no hydrogen 3.041 N/A ALA 102.A N ASP 98.A O no hydrogen 2.775 N/A ILE 103.A N LEU 99.A O no hydrogen 3.050 N/A ILE 103.A N ARG 100.A O no hydrogen 3.080 N/A VAL 104.A N ARG 100.A O no hydrogen 3.132 N/A HIS 105.A N GLU 101.A O no hydrogen 3.376 N/A CYS 106.A N ALA 102.A O no hydrogen 3.193 N/A CYS 106.A SG ALA 102.A O no hydrogen 3.217 N/A GLU 107.A N ILE 103.A O no hydrogen 3.021 N/A GLN 108.A N VAL 104.A O no hydrogen 3.039 N/A VAL 109.A N HIS 105.A O no hydrogen 3.004 N/A HIS 110.A N GLU 107.A O no hydrogen 3.123 N/A ASP 111.A N CYS 106.A O no hydrogen 2.735 N/A SER 114.A N ASP 111.A OD1 no hydrogen 3.184 N/A SER 114.A OG ASP 111.A OD1 no hydrogen 2.839 N/A SER 114.A OG ASP 111.A OD2 no hydrogen 2.678 N/A ARG 115.A N ASP 111.A O no hydrogen 3.115 N/A ASP 116.A N TYR 112.A O no hydrogen 3.058 N/A LEU 117.A N VAL 113.A O no hydrogen 3.020 N/A LEU 118.A N SER 114.A O no hydrogen 3.090 N/A LYS 119.A N ARG 115.A O no hydrogen 2.813 N/A ASP 120.A N ASP 116.A O no hydrogen 2.982 N/A ILE 121.A N LEU 117.A O no hydrogen 3.162 N/A LEU 122.A N LEU 118.A O no hydrogen 2.760 N/A GLU 123.A N LYS 119.A O no hydrogen 3.062 N/A SER 124.A N ASP 120.A O no hydrogen 3.309 N/A GLU 125.A N ILE 121.A O no hydrogen 2.893 N/A GLU 126.A N LEU 122.A O no hydrogen 2.991 N/A GLU 127.A N GLU 123.A O no hydrogen 2.962 N/A HIS 128.A N SER 124.A O no hydrogen 3.095 N/A ILE 129.A N GLU 125.A O no hydrogen 2.827 N/A ASP 130.A N GLU 126.A O no hydrogen 3.009 N/A ASP 130.A N GLU 127.A O no hydrogen 3.185 N/A TYR 131.A N GLU 127.A O no hydrogen 3.226 N/A LEU 132.A N HIS 128.A O no hydrogen 3.200 N/A GLU 133.A N ILE 129.A O no hydrogen 2.895 N/A THR 134.A N ASP 130.A O no hydrogen 2.838 N/A THR 134.A OG1 ASP 130.A O no hydrogen 2.745 N/A GLN 135.A N TYR 131.A O no hydrogen 2.887 N/A GLN 135.A NE2 TYR 147.A OH no hydrogen 2.654 N/A LEU 136.A N LEU 132.A O no hydrogen 3.126 N/A GLY 137.A N GLU 133.A O no hydrogen 2.712 N/A LEU 138.A N THR 134.A O no hydrogen 2.650 N/A ILE 139.A N GLN 135.A O no hydrogen 3.221 N/A ILE 139.A N LEU 136.A O no hydrogen 3.278 N/A LYS 141.A N GLY 137.A O no hydrogen 3.163 N/A VAL 142.A N LEU 138.A O no hydrogen 2.901 N/A GLY 143.A N ILE 139.A O no hydrogen 2.771 N/A ASN 146.A ND2 VAL 142.A O no hydrogen 3.101 N/A TYR 147.A N GLY 143.A O no hydrogen 2.983 N/A LEU 148.A N LEU 144.A O no hydrogen 2.880 N/A GLN 149.A N GLU 145.A O no hydrogen 2.911 N/A SER 150.A N ASN 146.A O no hydrogen 2.890 N/A HIS 151.A N LEU 148.A O no hydrogen 2.881 N/A HIS 151.A ND1 TYR 147.A O no hydrogen 2.935 N/A MET 152.A N GLN 149.A O no hydrogen 3.316 N/A