Secondary structure calculation program - copyright by David Keith Smith, 1989
1iu1A.pdb
1IU1 ENDOCYTOSIS/EXOCYTOSIS MOL_ID: 1; MOL_ID: 1;
Sequence length - 120
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 A 703 GLY G 0 0 999.9 179.4 179.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 21
2 A 704 ILE I - 0 0 -80.8 127.6 -177.2 -118.8 999.9 131.7 0 0.0 0 0.0 0 0.0 0 0.0 9 28
3 A 705 PRO P - 0 0 -65.6 140.1 174.2 -126.5 24.2 115.2 0 0.0 0 0.0 0 0.0 0 0.0 8 25
4 A 706 SER S - 0 0 -81.3 159.5 -179.6 -164.0 29.0 118.8 0 0.0 0 0.0 0 0.0 0 0.0 8 31
5 A 707 ILE I E E AA - 17 0 -138.1 163.1 168.5 -117.1 29.4 155.0 17 -2.1 17 -2.5 0 0.0 7 -0.8 9 34
6 A 708 THR T E E AA - 16 0 -97.0 110.9 -175.5 -176.3 31.5 159.3 0 0.0 0 0.0 0 0.0 0 0.0 9 35
7 A 709 ALA A E E A* + 0 0 -80.8 -24.6 -173.5 7.9 67.4 41.9 15 -2.1 0 0.0 5 -0.8 0 0.0 11 45
8 A 710 TYR Y E E AA + 15 0 -160.0 136.6 176.2 170.5 55.1 164.9 15 -1.4 15 -3.2 0 0.0 0 0.0 9 39
9 A 711 SER S E E AA + 14 0 -153.5 104.0 -174.9 127.2 29.8 140.4 0 0.0 0 0.0 0 0.0 0 0.0 9 34
10 A 712 LYS K E E AA > T + 13 0 -161.2 140.9 177.9 8.1 65.4 167.9 13 -2.2 13 -2.1 0 0.0 0 0.0 6 30
11 A 713 ASN N T T 3 TS- 0 0 56.1 31.3 178.9 -57.1 128.5 36.7 0 0.0 0 0.0 0 0.0 0 0.0 4 38
12 A 714 GLY G T e 3 TS+ 0 0 82.5 -4.4 176.5 117.4 112.1 65.4 0 0.0 38 -2.4 0 0.0 14 -0.5 8 40
13 A 715 LEU L E E AAB< T - 10 37 -97.9 124.9 178.5 -170.8 43.6 150.9 10 -2.1 10 -2.2 0 0.0 0 0.0 12 53
14 A 716 LYS K E E AAB - 9 36 -118.6 131.0 178.7 -169.0 7.3 164.2 36 -2.5 36 -2.5 12 -0.5 16 -0.5 14 50
15 A 717 ILE I E E AAB - 8 35 -122.3 111.4 178.9 -172.1 6.6 163.4 8 -3.2 7 -2.1 0 0.0 8 -1.4 12 57
16 A 718 GLU E E E AAB - 6 34 -99.8 144.1 174.6 -152.6 8.7 144.9 34 -2.4 34 -2.2 14 -0.5 0 0.0 12 46
17 A 719 PHE F E E AAB - 5 33 -113.5 131.9 167.9 -173.3 9.4 164.1 5 -2.5 5 -2.1 0 0.0 0 0.0 12 53
18 A 720 THR T E E A B - 0 32 -116.4 153.3 -170.6 -145.9 17.3 156.7 32 -1.9 32 -2.4 0 0.0 0 0.0 11 40
19 A 721 PHE F E E A B - 0 31 -128.6 145.6 174.6 -177.4 19.7 156.3 0 0.0 0 0.0 0 0.0 0 0.0 12 41
20 A 722 GLU E E E A B - 0 30 -139.0 127.2 179.6 -142.8 19.2 169.2 30 -2.0 30 -3.4 0 0.0 0 0.0 9 36
21 A 723 ARG R E E A B - 0 29 -85.8 147.6 176.9 -109.1 27.4 126.1 0 0.0 0 0.0 0 0.0 0 0.0 10 35
22 A 724 SER S e - 0 0 -74.2 141.3 177.5 -151.5 15.3 125.0 28 -2.1 0 0.0 25 -0.6 0 0.0 10 28
23 A 725 ASN N S S S+ 0 0 -81.2 -21.8 -176.7 38.7 99.2 46.2 0 0.0 0 0.0 0 0.0 0 0.0 5 19
24 A 726 THR T S S S+ 0 0 -102.2 -18.7 -173.6 46.2 118.1 50.6 0 0.0 0 0.0 0 0.0 0 0.0 4 14
25 A 727 ASN N t > T - 0 0 -137.5 102.2 -176.3 -165.0 56.2 149.5 0 0.0 28 -2.5 0 0.0 22 -0.6 7 21
26 A 728 PRO P T T 3 TS+ 0 0 -58.6 -12.6 -176.8 57.4 93.7 51.8 0 0.0 0 0.0 0 0.0 0 0.0 7 29
27 A 729 SER S T e 3 TS+ 0 0 -99.9 -3.9 -178.7 84.1 89.3 62.7 0 0.0 84 -3.5 0 0.0 29 -0.5 12 34
28 A 730 VAL V E E A C< T + 0 83 -109.3 121.8 176.4 178.8 48.1 153.3 25 -2.5 22 -2.1 0 0.0 0 0.0 12 38
29 A 731 THR T E E ABC - 21 82 -119.6 127.5 -179.0 -147.2 18.0 167.0 82 -2.5 82 -2.7 27 -0.5 31 -0.6 14 49
30 A 732 VAL V E E ABC - 20 81 -95.6 122.6 -179.9 -164.0 13.4 147.0 20 -3.4 20 -2.0 0 0.0 32 -0.5 12 49
31 A 733 ILE I E E ABC - 19 80 -109.7 127.8 175.2 -162.1 4.9 157.1 80 -3.4 80 -2.9 29 -0.6 33 -0.6 12 55
32 A 734 THR T E E ABC - 18 79 -105.9 121.1 178.7 -158.0 12.0 158.5 18 -2.4 18 -1.9 30 -0.5 0 0.0 11 44
33 A 735 ILE I E E ABC - 17 78 -99.5 147.0 177.1 -165.0 6.6 141.0 78 -3.3 78 -1.9 31 -0.6 0 0.0 13 54
34 A 736 GLN Q E E ABC - 16 77 -129.8 117.1 179.4 -163.1 5.2 168.9 16 -2.2 16 -2.4 0 0.0 0 0.0 12 48
35 A 737 ALA A E E ABC + 15 76 -103.9 128.6 -178.2 177.0 13.4 153.1 76 -2.8 76 -1.8 0 0.0 0 0.0 12 55
36 A 738 SER S E E AB - 14 0 -130.7 162.2 -172.9 -143.9 20.8 151.0 14 -2.5 14 -2.5 0 0.0 0 0.0 13 49
37 A 739 ASN N E E AB - 13 0 -135.1 112.5 -178.1 -177.6 11.8 165.6 69 -0.6 72 -2.5 0 0.0 0 0.0 15 44
38 A 740 SER S e + 0 0 -92.4 8.9 179.6 96.6 57.9 75.6 12 -2.4 0 0.0 0 0.0 0 0.0 10 31
39 A 741 THR T S S S- 0 0 -91.1 178.7 179.7 -111.9 84.4 109.5 0 0.0 71 -3.1 0 0.0 0 0.0 10 30
40 A 742 GLU E S S S+ 0 0 -89.8 -2.3 178.4 64.6 96.0 64.2 0 0.0 0 0.0 0 0.0 0 0.0 6 24
41 A 743 LEU L S S S- 0 0 -126.4 140.0 178.1 -110.4 85.8 165.6 0 0.0 0 0.0 0 0.0 0 0.0 9 30
42 A 744 ASP D - 0 0 -59.0 151.0 173.5 -135.8 21.0 104.1 0 0.0 44 -0.6 0 0.0 0 0.0 11 37
43 A 745 MET M B B A - 68 0 -107.0 116.8 -174.1 -166.3 33.9 163.0 68 -2.2 68 -2.7 0 0.0 0 0.0 13 44
44 A 746 THR T E E BD + 99 0 -110.0 167.6 -179.0 23.2 55.8 130.1 99 -2.4 99 -2.9 42 -0.6 0 0.0 10 38
45 A 747 ASP D E E B* S- 0 0 50.7 40.8 -175.7 -174.0 82.1 30.9 0 0.0 0 0.0 0 0.0 0 0.0 9 35
46 A 748 PHE F E E B* - 0 0 -73.6 131.5 176.8 -178.2 10.1 117.0 66 -2.8 0 0.0 0 0.0 0 0.0 12 48
47 A 749 VAL V E E BD - 97 0 -133.6 125.4 174.9 -164.0 11.5 170.4 97 -2.7 97 -1.9 0 0.0 0 0.0 8 47
48 A 750 PHE F E E BD + 96 0 -105.8 127.8 176.3 173.9 15.1 155.8 0 0.0 0 0.0 0 0.0 0 0.0 8 56
49 A 751 GLN Q E E BD - 95 0 -128.3 155.6 -179.9 -173.1 5.3 159.2 95 -2.2 95 -2.4 0 0.0 0 0.0 7 46
50 A 752 ALA A E E BD - 94 0 -149.0 157.6 177.0 -160.1 11.1 170.9 0 0.0 0 0.0 0 0.0 0 0.0 8 45
51 A 753 ALA A E E BD - 93 0 -136.7 148.1 177.6 -167.3 7.3 171.2 93 -2.2 93 -2.1 0 0.0 0 0.0 8 33
52 A 754 VAL V - 0 0 -128.8 165.4 -178.9 -74.5 39.0 146.4 0 0.0 0 0.0 0 0.0 0 0.0 10 41
53 A 755 PRO P t > T - 0 0 -59.8 160.1 -173.5 -100.9 51.5 99.1 0 0.0 56 -1.9 0 0.0 0 0.0 7 26
54 A 756 LYS K T T 3 TS+ 0 0 -57.9 -30.9 178.3 57.5 119.4 42.0 0 0.0 0 0.0 0 0.0 0 0.0 5 21
55 A 757 THR T T T 3 TS+ 0 0 -73.3 -19.1 179.8 74.1 101.4 42.1 0 0.0 0 0.0 0 0.0 0 0.0 7 22
56 A 758 PHE F S t < TS- 0 0 -89.7 164.4 170.8 -144.0 70.2 117.0 53 -1.9 0 0.0 0 0.0 0 0.0 10 32
57 A 759 GLN Q E E AE - 83 0 -124.2 142.5 -179.4 -160.3 13.3 166.9 83 -2.1 83 -2.9 0 0.0 0 0.0 9 34
58 A 760 LEU L E E AE - 82 0 -128.8 129.8 173.3 -172.8 8.1 170.0 0 0.0 0 0.0 0 0.0 0 0.0 10 35
59 A 761 GLN Q E E AE - 81 0 -117.9 122.5 174.0 -162.2 7.4 169.4 81 -2.5 81 -2.9 0 0.0 61 -0.5 7 32
60 A 762 LEU L E E AE - 80 0 -104.1 124.5 177.3 -157.7 7.3 156.4 0 0.0 0 0.0 0 0.0 0 0.0 8 36
61 A 763 LEU L e - 0 0 -89.2 169.5 -177.1 -72.2 39.7 117.4 79 -3.0 0 0.0 59 -0.5 0 0.0 7 28
62 A 764 SER S - 0 0 -65.4 139.0 174.5 -121.8 47.8 108.5 0 0.0 0 0.0 0 0.0 0 0.0 6 28
63 A 765 PRO P - 0 0 -74.7 156.6 -179.8 -118.6 20.1 117.5 0 0.0 0 0.0 0 0.0 0 0.0 9 36
64 A 766 SER S S S S- 0 0 -64.2 -27.6 -175.9 -19.8 86.8 40.0 77 -2.7 0 0.0 0 0.0 0 0.0 7 26
65 A 767 SER S - 0 0 -167.0 176.2 178.5 -119.7 53.6 159.3 0 0.0 0 0.0 0 0.0 0 0.0 7 32
66 A 768 SER S S S S+ 0 0 -116.6 12.8 178.5 81.9 87.2 80.0 0 0.0 46 -2.8 0 0.0 0 0.0 10 35
67 A 769 ILE I - 0 0 -123.1 124.0 173.8 -158.7 59.0 167.8 0 0.0 0 0.0 0 0.0 0 0.0 10 43
68 A 770 VAL V B B A - 43 0 -94.4 108.7 -170.5 -131.0 36.1 153.6 43 -2.7 43 -2.2 0 0.0 0 0.0 15 46
69 A 771 PRO P g > T - 0 0 -72.2 143.8 179.7 -112.3 15.5 109.2 0 0.0 72 -0.6 0 0.0 37 -0.6 13 37
70 A 772 ALA A G G > TS+ 0 0 -64.8 163.8 177.1 31.6 94.0 95.9 0 0.0 73 -1.4 0 0.0 0 0.0 12 31
71 A 773 PHE F G G 3 TS- 0 0 60.4 23.8 178.8 -81.1 121.5 45.4 39 -3.1 0 0.0 0 0.0 0 0.0 9 24
72 A 774 ASN N G G < TS+ 0 0 55.0 34.9 -177.1 145.1 86.6 34.9 37 -2.5 0 0.0 69 -0.6 0 0.0 10 27
73 A 775 THR T g < T - 0 0 -82.4 -2.7 -179.4 -22.2 68.8 60.8 70 -1.4 0 0.0 0 0.0 0 0.0 6 24
74 A 776 GLY G - 0 0 178.0 -176.9 179.3 -120.7 64.7 165.6 0 0.0 0 0.0 0 0.0 0 0.0 7 33
75 A 777 THR T - 0 0 -139.0 172.0 168.5 -116.5 17.6 150.0 0 0.0 77 -0.5 0 0.0 0 0.0 11 41
76 A 778 ILE I E E AC - 35 0 -107.0 125.7 174.6 -159.3 33.0 168.1 35 -1.8 35 -2.8 0 0.0 0 0.0 14 45
77 A 779 THR T E E AC + 34 0 -106.3 138.2 176.7 169.7 15.9 157.3 75 -0.5 64 -2.7 0 0.0 0 0.0 11 40
78 A 780 GLN Q E E AC - 33 0 -148.6 134.1 178.9 -141.3 22.6 169.0 33 -1.9 33 -3.3 0 0.0 0 0.0 12 42
79 A 781 VAL V E E AC - 32 0 -98.9 132.4 173.5 -177.7 16.6 142.9 0 0.0 61 -3.0 0 0.0 0 0.0 12 38
80 A 782 ILE I E E ACE - 31 60 -122.3 140.3 176.6 -152.2 12.2 168.4 31 -2.9 31 -3.4 0 0.0 0 0.0 12 48
81 A 783 LYS K E E ACE - 30 59 -115.8 131.3 -179.4 -160.0 6.5 164.2 59 -2.9 59 -2.5 0 0.0 83 -0.5 11 45
82 A 784 VAL V E E ACE - 29 58 -112.5 124.3 173.6 -158.8 3.0 160.7 29 -2.7 29 -2.5 0 0.0 84 -0.6 13 50
83 A 785 LEU L E E ACE + 28 57 -100.8 123.7 -176.6 178.3 11.7 156.7 57 -2.9 57 -2.1 81 -0.5 0 0.0 10 41
84 A 786 ASN N e > T + 0 0 -125.8 70.4 -174.0 173.3 3.8 128.5 27 -3.5 87 -2.5 82 -0.6 0 0.0 14 39
85 A 787 PRO P T T 3 TS+ 0 0 -52.8 -32.9 -177.4 42.6 81.4 43.7 0 0.0 0 0.0 0 0.0 0 0.0 9 29
86 A 788 GLN Q T T 3 TS- 0 0 -100.3 10.0 -179.3 -125.1 104.8 76.9 0 0.0 0 0.0 0 0.0 0 0.0 6 24
87 A 789 LYS K t < T + 0 0 46.0 46.7 179.0 163.5 53.6 28.7 84 -2.5 0 0.0 0 0.0 0 0.0 8 29
88 A 790 GLN Q - 0 0 -89.1 166.3 177.9 -66.9 51.3 116.4 0 0.0 0 0.0 0 0.0 0 0.0 8 27
89 A 791 GLN Q - 0 0 -53.0 118.7 178.7 -118.9 60.6 108.7 0 0.0 0 0.0 0 0.0 0 0.0 7 32
90 A 792 LEU L + 0 0 -65.5 130.4 178.6 173.9 40.9 116.0 0 0.0 0 0.0 0 0.0 0 0.0 8 46
91 A 793 ARG R + 0 0 -136.8 149.4 -179.0 173.3 2.9 165.8 0 0.0 0 0.0 0 0.0 0 0.0 10 43
92 A 794 MET M e - 0 0 -160.0 140.2 173.7 -156.4 20.2 163.3 0 0.0 111 -2.9 0 0.0 0 0.0 10 49
93 A 795 ARG R E E BDF - 51 110 -115.1 136.7 179.2 -158.7 20.0 163.0 51 -2.1 51 -2.2 0 0.0 0 0.0 11 37
94 A 796 ILE I E E BDF - 50 109 -118.0 151.1 176.7 -157.8 8.2 153.6 109 -3.5 109 -2.7 0 0.0 0 0.0 12 48
95 A 797 LYS K E E BDF - 49 108 -126.3 126.1 -178.2 -168.6 11.2 175.1 49 -2.4 49 -2.2 0 0.0 0 0.0 11 35
96 A 798 LEU L E E BDF + 48 107 -117.2 133.0 170.9 174.3 8.2 162.1 107 -2.7 107 -2.3 0 0.0 0 0.0 12 48
97 A 799 THR T E E BDF + 47 106 -134.5 144.6 -179.6 132.3 16.2 176.2 47 -1.9 47 -2.7 0 0.0 0 0.0 12 41
98 A 800 TYR Y E E B*F - 0 105 -173.5 165.5 174.2 -102.2 49.9 163.6 105 -1.7 105 -2.8 0 0.0 0 0.0 12 41
99 A 801 ASN N E E BDF + 44 104 -103.5 136.1 -177.2 159.9 43.9 152.8 44 -2.9 44 -2.4 0 0.0 0 0.0 12 32
100 A 802 HIS H E E B F> T - 0 103 -158.8 133.2 175.6 -2.3 60.5 164.9 103 -2.3 103 -2.2 0 0.0 0 0.0 11 34
101 A 803 LYS K T T 3 TS- 0 0 58.5 30.8 -179.5 -54.5 128.8 38.2 0 0.0 0 0.0 0 0.0 0 0.0 5 26
102 A 804 GLY G T T 3 TS+ 0 0 81.5 6.1 177.3 107.0 117.1 57.2 0 0.0 0 0.0 0 0.0 0 0.0 5 18
103 A 805 SER S E E BF < TS- 100 0 -115.8 154.3 169.7 -122.2 73.1 145.7 100 -2.2 100 -2.3 0 0.0 105 -0.9 6 18
104 A 806 ALA A E E BF - 99 0 -87.0 106.7 178.0 -157.6 39.9 149.0 0 0.0 0 0.0 0 0.0 0 0.0 8 23
105 A 807 MET M E E BF + 98 0 -87.7 146.0 173.7 172.0 17.6 129.5 98 -2.8 98 -1.7 103 -0.9 0 0.0 9 32
106 A 808 GLN Q E E BF + 97 0 -147.6 142.7 172.0 174.2 4.2 170.9 0 0.0 0 0.0 0 0.0 0 0.0 8 32
107 A 809 ASP D E E BF - 96 0 -146.6 148.9 177.8 -162.2 14.1 172.7 96 -2.3 96 -2.7 0 0.0 0 0.0 7 33
108 A 810 LEU L E E BF + 95 0 -127.9 126.5 -175.5 164.4 26.0 178.5 0 0.0 0 0.0 0 0.0 0 0.0 8 30
109 A 811 ALA A E E BF - 94 0 -148.9 147.0 174.0 -125.7 36.1 177.0 94 -2.7 94 -3.5 0 0.0 0 0.0 7 32
110 A 812 GLU E E E BF - 93 0 -84.3 142.6 173.8 -125.8 29.1 132.8 0 0.0 112 -0.8 0 0.0 0 0.0 8 31
111 A 813 VAL V e + 0 0 -88.6 116.2 -170.6 179.2 32.9 149.6 92 -2.9 0 0.0 0 0.0 0 0.0 11 40
112 A 814 ASN N + 0 0 -98.4 -3.5 -166.5 59.8 60.8 62.5 110 -0.8 0 0.0 0 0.0 0 0.0 6 28
113 A 815 ASN N + 0 0 -133.7 48.4 174.9 149.5 53.9 108.6 0 0.0 0 0.0 0 0.0 0 0.0 6 30
114 A 816 PHE F - 0 0 -76.7 137.4 177.1 -123.7 46.8 132.3 0 0.0 0 0.0 0 0.0 0 0.0 9 42
115 A 817 PRO P g > T - 0 0 -81.7 149.3 -179.6 -114.7 18.6 121.9 0 0.0 118 -2.2 0 0.0 0 0.0 8 31
116 A 818 PRO P G G > > TS+ 0 0 -51.3 -36.0 -176.9 64.7 113.6 32.9 0 0.0 120 -2.8 0 0.0 119 -1.8 7 29
117 A 819 GLN Q G G 4 3 TS+ 0 0 -65.8 -16.2 179.8 70.6 87.8 48.2 0 0.0 0 0.0 0 0.0 0 0.0 8 32
118 A 820 SER S G G 4 < TS+ 0 0 -76.6 -8.2 -179.3 6.7 122.0 54.9 115 -2.2 0 0.0 0 0.0 0 0.0 12 47
119 A 821 TRP W T g 4 < T 0 0 -142.9 -26.9 -178.7 999.9 999.9 57.3 116 -1.8 0 0.0 0 0.0 0 0.0 12 45
120 A 822 GLN Q t < T 0 0 -70.5 999.9 999.9 999.9 999.9 104.0 116 -2.8 0 0.0 0 0.0 0 0.0 7 31
1iu1A.pdb
1IU1 ENDOCYTOSIS/EXOCYTOSIS MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEETTEEEEEEEEE SS TTEEEEEEEEEE SSS BEEEEEEEE TTSEEEE S S B GGG EEEEEEEE TT EEEEEEEE Kabs/Sand
chirality -----++++-+----------++-+++------+--+-+---+---+-----++----------+---+-+----+-----+++-+--++----++-+- chirality
bends SS SS SS SSS S SSS S S SSS SS bends
turns TTTT TTTT TTTT TTTTT TTTT T turns
5-turns 5-turns
3-turns >33< >33< >33< >>3<< >33< > 3-turns
bridge-2 BBBBBBBBB CCCCCCCC EEEE FFFFFFFF bridge-2
bridge-1 AA*AAA AAAAA BBBBBBBBB AD**DDDDD EEEE A CCCCCCCC DDDDD*D bridge-1
sheets AAAAAA AAAAAAAAA AAAAAAAAAA BBBBBBBB AAAA AAAAAAAA BBBBBBBB sheets
4-turns 4-turns
summary EEEEEETeEEEEEEEEEeSStTeEEEEEEEEEEeSSS BEEEEEEEE tTTtEEEEe S S BgGGGg EEEEEEEEeTTt eEEEEEEEE summary
sequence GIPSITAYSKNGLKIEFTFERSNTNPSVTVITIQASNSTELDMTDFVFQAAVPKTFQLQLLSPSSSIVPAFNTGTITQVIKVLNPQKQQLRMRIKLTYNH sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand TTEEEEEEEE GGGT Kabs/Sand
chirality -+--++-+--+++--+++ chirality
bends SSS SSS bends
turns TTT TTTTTT turns
5-turns 5-turns
3-turns 33< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 FFFFFFFF bridge-1
sheets BBBBBBBB sheets
4-turns >444< 4-turns
summary TTEEEEEEEEe gGGGgt summary
sequence KGSAMQDLAEVNNFPPQSWQ sequence
110 120