X5DR91_HUMAN Loading...

E3 ubiquitin-protein ligase COP1

AlphaFold DB , UniProt , Accession X5DR91, Species HUMAN (Homo sapiens, Human), Gene RFWD2, Length 727 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	32.7	Very low	232 Å²	232	132.3 Å²	132.3	100%	1.143	84%	0.836	S	S	*	*				0	108.1	0	-69.4	152.7	170.4	0	0	106.4
2	S	32.1	Very low	32.6	Very low	115 Å²	115	129.3 Å²	129.3	80%	0.804	83%	0.833	S	S	*	*				70.8	121.3	65	67.3	0	0	0	0	112.5
3	G	34.7	Very low	32.4	Very low	70 Å²	70	124.8 Å²	124.8	72%	0.722	83%	0.825	S	S	*	*			cis	-132.6	175.9	-0.2	0	0	0	0	0	111.9
4	S	34.6	Very low	32.3	Very low	112 Å²	112	126.3 Å²	126.3	78%	0.783	83%	0.83	S	S	*	*			cis	97.3	131.4	26.2	-68.5	0	0	0	0	116.1
5	R	33.4	Very low	32.3	Very low	233 Å²	233	125.2 Å²	125.2	88%	0.879	83%	0.826	S	S	*	*			trans	84.1	116.2	163.7	-65.4	171.1	-175.4	-159	-0.2	115.3
6	K	34	Very low	33.3	Very low	204 Å²	204	125.3 Å²	125.3	89%	0.887	83%	0.826	S	S	*	*				82.4	142.5	77.6	-83.1	-169.9	175	-168.3	0	111.6
7	A	32.1	Very low	33.1	Very low	104 Å²	104	122.5 Å²	122.5	86%	0.86	82%	0.824	S	S	*	*			cis	-156.1	-171.3	-5.9	0	0	0	0	0	107.2
8	G	30.2	Very low	33.1	Very low	58 Å²	58	121.7 Å²	121.7	60%	0.598	82%	0.82	S	S	*	*			cis	163.8	169.4	3	0	0	0	0	0	110.5
9	S	30.2	Very low	33	Very low	132 Å²	132	121.6 Å²	121.6	92%	0.923	82%	0.821	S	S	*	*			trans	64.7	148.3	-173	70.1	0	0	0	0	115.6
10	G	30	Very low	32.9	Very low	71 Å²	71	120.9 Å²	120.9	73%	0.732	82%	0.824	S	S	*	*			cis	120.3	143.7	-0.2	0	0	0	0	0	112.2
11	S	31.9	Very low	32.8	Very low	124 Å²	124	119.9 Å²	119.9	87%	0.867	82%	0.824	S	S	*	*			cis	-171.7	-176.5	-6	56.8	0	0	0	0	107.7
12	A	31.8	Very low	32.5	Very low	96 Å²	96	114.3 Å²	114.3	79%	0.793	81%	0.808	S	S	*	*			cis	-163.4	169.2	10.1	0	0	0	0	0	111
13	G	29.6	Very low	32.5	Very low	71 Å²	71	114.2 Å²	114.2	73%	0.732	81%	0.808	S	S	*	*			trans	90.2	149.4	164.5	0	0	0	0	0	116.6
14	T	31.4	Very low	32.1	Very low	146 Å²	146	117.2 Å²	117.2	90%	0.896	81%	0.812	S	S	*	*			cis	-150	161.7	-5.3	33.5	0	0	0	0	111.8
15	S	31.2	Very low	32	Very low	110 Å²	110	118.4 Å²	118.4	77%	0.769	81%	0.814	S	S	*	*			trans	-71.5	-173.2	-175.7	-27.4	0	0	0	0	115.3
16	P	49.2	Very low	31.7	Very low	127 Å²	127	112.3 Å²	112.3	83%	0.825	81%	0.808	S	S	*	*			cis	-139.3	171.5	-6.8	39.9	-21.6	0	0	0	117.6
17	G	30.3	Very low	31.5	Very low	77 Å²	77	107.6 Å²	107.6	79%	0.794	81%	0.806	S	S	*	*			trans	93.5	150.9	155.4	0	0	0	0	0	117.2
18	S	31.8	Very low	31.4	Very low	109 Å²	109	108.4 Å²	108.4	76%	0.762	81%	0.806	S	S	*	*			cis	-158.6	163.3	-6.1	59.5	0	0	0	0	112.7
19	S	31.1	Very low	31.4	Very low	120 Å²	120	111.5 Å²	111.5	84%	0.839	82%	0.818	S	S	*	*			trans	56.9	115.6	163.3	50.8	0	0	0	0	119
20	A	30.8	Very low	31.3	Very low	106 Å²	106	110.5 Å²	110.5	88%	0.876	81%	0.812	S	S	*	*			trans	-99.2	166.6	175.5	0	0	0	0	0	112.9
21	A	31.8	Very low	31.4	Very low	100 Å²	100	115.2 Å²	115.2	83%	0.826	82%	0.819	S	S	*	*			trans	-106.5	141	171.5	0	0	0	0	0	111.4
22	S	29.6	Very low	31.3	Very low	115 Å²	115	113.9 Å²	113.9	80%	0.804	81%	0.81	S	S	*	*			trans	-157.6	132.9	160.8	58.6	0	0	0	0	111.6
23	S	31.9	Very low	31.1	Very low	113 Å²	113	115 Å²	115	79%	0.79	81%	0.812	S	S	*	*			trans	-57.8	152.5	174.6	44.1	0	0	0	0	114.7
24	V	28	Very low	31.2	Very low	133 Å²	133	116.9 Å²	116.9	81%	0.806	81%	0.813	S	S	*	*			trans	-137.4	137.2	157.6	-175.7	0	0	0	0	109.3
25	T	31.4	Very low	31.5	Very low	137 Å²	137	116 Å²	116	84%	0.84	81%	0.81	S	S	*	*			trans	-115.1	123.5	177.1	49.6	0	0	0	0	111.1
26	S	28.4	Very low	31.5	Very low	106 Å²	106	115.9 Å²	115.9	74%	0.741	81%	0.809	S	S	*	*			trans	-158.3	116.3	164.4	52.9	0	0	0	0	108.4
27	A	27.8	Very low	31.1	Very low	104 Å²	104	115.4 Å²	115.4	86%	0.86	81%	0.806	S	S	*	*				92.4	138.5	55.6	0	0	0	0	0	112.3
28	S	30.6	Very low	31.3	Very low	121 Å²	121	117.9 Å²	117.9	85%	0.846	81%	0.809	S	S	*	*			trans	-89.9	142.3	-169.5	53.3	0	0	0	0	113.6
29	S	29.9	Very low	31.1	Very low	123 Å²	123	118 Å²	118	86%	0.86	81%	0.81	S	S	*	*			trans	-145.7	115.9	160.2	58.9	0	0	0	0	111.3
30	S	28.9	Very low	31.2	Very low	112 Å²	112	118.3 Å²	118.3	78%	0.783	81%	0.806	S	S	*	*			trans	-89.3	154.1	165.8	49.5	0	0	0	0	110.6
31	L	31.4	Very low	31	Very low	169 Å²	169	118.2 Å²	118.2	89%	0.885	81%	0.805	S	S	*	*			trans	158.2	148.9	159.5	-86.8	156	0	0	0	107.2
32	S	30.7	Very low	30.9	Very low	97 Å²	97	119 Å²	119	68%	0.678	80%	0.799	S	S	*	*			cis	-178	119	-35.4	48.1	0	0	0	0	108.6
33	S	28.2	Very low	30.7	Very low	119 Å²	119	119.2 Å²	119.2	83%	0.832	80%	0.801	S	S	*	*			trans	-160.2	117	166.6	56.1	0	0	0	0	111
34	S	30.6	Very low	30.3	Very low	110 Å²	110	117.7 Å²	117.7	77%	0.769	80%	0.795	S	S	*	*			trans	-76.4	163.1	169.2	48.4	0	0	0	0	111.2
35	P	38	Very low	30.3	Very low	128 Å²	128	116.4 Å²	116.4	83%	0.831	80%	0.798	S	S	*	*				-133.4	164.2	105.4	37.8	-30.1	0	0	0	114.6
36	S	31.7	Very low	30	Very low	107 Å²	107	114 Å²	114	75%	0.748	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-81.2	166.4	-179.1	-50	0	0	0	0	112.6
37	P	41.2	Very low	30	Very low	117 Å²	117	116.7 Å²	116.7	76%	0.76	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-83.8	157.1	-171.7	34.4	-36.3	0	0	0	113.9
38	P	33.9	Very low	30	Very low	130 Å²	130	119 Å²	119	84%	0.844	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-72.1	135.7	162.8	31.4	-32.8	0	0	0	110.6
39	S	26.6	Very low	29.9	Very low	112 Å²	112	118.7 Å²	118.7	78%	0.783	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-85	159.4	-178.6	55.4	0	0	0	0	113.7
40	V	34.4	Very low	29.7	Very low	126 Å²	126	116.6 Å²	116.6	76%	0.764	80%	0.796	S	S	*	*			trans	-28.7	134.8	162.1	-172.6	0	0	0	0	114.3	V42	V40-V42 HydrophobicContact CG1-CG2 3.69Å
41	A	25.1	Very low	29.7	Very low	103 Å²	103	114.9 Å²	114.9	85%	0.851	80%	0.796	S	S	*	*			trans	-117.7	134.2	157.2	0	0	0	0	0	109.3
42	V	30	Very low	29.6	Very low	117 Å²	117	114 Å²	114	71%	0.709	80%	0.797	S	S	*	*			trans	-116.7	129.5	-177.2	177.7	0	0	0	0	110.3	V40 A44	V40-V42 HydrophobicContact CG1-CG2 3.69Å; V42-A44 HydrophobicContact CG1-CB 4.2Å
43	S	25.4	Very low	29.5	Very low	120 Å²	120	112.7 Å²	112.7	84%	0.839	79%	0.792	S	S	*	*			trans	-153.4	117.2	153.4	-73.3	0	0	0	0	106.3
44	A	24.9	Very low	29.6	Very low	81 Å²	81	116.2 Å²	116.2	67%	0.669	80%	0.796	S	S	*	*			cis	77.1	125.3	26.9	0	0	0	0	0	115.1	V42	V42-A44 HydrophobicContact CG1-CB 4.2Å
45	A	26.4	Very low	29.5	Very low	105 Å²	105	115.3 Å²	115.3	87%	0.868	80%	0.795	S	S	*	*			trans	65.1	147.8	171.8	0	0	0	0	0	117.8
46	A	25.6	Very low	29.2	Very low	86 Å²	86	114.1 Å²	114.1	71%	0.711	80%	0.796	S	S	*	*			cis	-164.5	163.8	-19.5	0	0	0	0	0	111.8
47	L	28.4	Very low	29.1	Very low	163 Å²	163	112.8 Å²	112.8	85%	0.853	80%	0.799	S	S	*	*			trans	26.5	119.8	144.1	-63.6	165.6	0	0	0	120.6
48	V	27.5	Very low	28.6	Very low	153 Å²	153	113.2 Å²	113.2	93%	0.927	81%	0.805	S	S	*	*				-136.5	151.3	127.7	-177.9	0	0	0	0	108.4
49	S	28.8	Very low	28.4	Very low	115 Å²	115	110.8 Å²	110.8	80%	0.804	80%	0.803	S	S	*	*			trans	-128.9	154	-165.9	56.7	0	0	0	0	115
50	G	26.8	Very low	28.5	Very low	79 Å²	79	109.3 Å²	109.3	81%	0.814	81%	0.806	S	S	*	*			trans	143.9	127.4	172.7	0	0	0	0	0	108.9
51	G	28	Very low	28.4	Very low	75 Å²	75	112.2 Å²	112.2	77%	0.773	82%	0.816	S	S	*	*			cis	104.9	137.1	33.7	0	0	0	0	0	107.8
52	V	29.3	Very low	28.6	Very low	150 Å²	150	111.2 Å²	111.2	91%	0.909	82%	0.816	S	S	*	*			cis	-158.5	175	3.6	-135	0	0	0	0	106.3
53	A	28.2	Very low	28.6	Very low	70 Å²	70	109.3 Å²	109.3	58%	0.579	82%	0.82	S	S	*	*			cis	-162.2	166.8	3.3	0	0	0	0	0	111.2
54	Q	30.8	Very low	30	Very low	193 Å²	193	109.7 Å²	109.7	90%	0.902	82%	0.819	S	S	*	*			trans	62.9	164.5	150.1	-72.3	173.9	-1.5	0	0	120.9
55	A	29.1	Very low	30.2	Very low	92 Å²	92	113 Å²	113	76%	0.76	83%	0.831	S	S	*	*			cis	-174	124	-40.3	0	0	0	0	0	111.6
56	A	30.8	Very low	30.4	Very low	103 Å²	103	119.2 Å²	119.2	85%	0.851	83%	0.832	S	S	*	*			trans	176.5	141	159.3	0	0	0	0	0	107.5
57	G	29	Very low	31.1	Very low	78 Å²	78	120.3 Å²	120.3	80%	0.804	83%	0.832	S	S	*	*			cis	91.8	109.2	11.5	0	0	0	0	0	110.5
58	S	32.2	Very low	31	Very low	127 Å²	127	118.9 Å²	118.9	89%	0.888	83%	0.83	S	S	*	*			cis	-139.1	-178.6	15.5	52.9	0	0	0	0	109.5
59	G	29.2	Very low	31.1	Very low	78 Å²	78	119.7 Å²	119.7	80%	0.804	83%	0.828	S	S	*	*			cis	129.7	105.7	4	0	0	0	0	0	110.5
60	G	28.6	Very low	31	Very low	81 Å²	81	120.8 Å²	120.8	84%	0.835	83%	0.829	S	S	*	*			trans	-172.2	133.6	-178.8	0	0	0	0	0	112.4
61	L	32.5	Very low	31	Very low	187 Å²	187	121.1 Å²	121.1	98%	0.979	83%	0.825	S	S	*	*			trans	-113.9	149.6	-174.2	-67.8	159.5	0	0	0	110.5
62	G	29.4	Very low	31.9	Very low	83 Å²	83	123.6 Å²	123.6	86%	0.856	83%	0.827	S	S	*	*			trans	-179.3	117.1	173.1	0	0	0	0	0	113.9
63	G	30.2	Very low	31.8	Very low	76 Å²	76	121.2 Å²	121.2	78%	0.784	82%	0.823	S	S	*	*			trans	-91.6	-167.4	179.7	0	0	0	0	0	115.1
64	P	53.7	Low	31.8	Very low	129 Å²	129	124.6 Å²	124.6	84%	0.838	84%	0.836	S	S	*	*			trans	-112.5	153.5	-147.2	39.4	-33.4	0	0	0	115.9
65	V	29.3	Very low	31.8	Very low	151 Å²	151	121.2 Å²	121.2	92%	0.915	83%	0.834	S	S	*	*			trans	-136.8	154.2	164	-174.1	0	0	0	0	109.7
66	R	31.4	Very low	31.8	Very low	235 Å²	235	120.1 Å²	120.1	89%	0.887	83%	0.832	S	S	*	*			trans	-110.8	-163.6	-170.6	-132.9	-166.6	169.3	-172.1	-2.2	111.6
67	P	39.9	Very low	31.7	Very low	109 Å²	109	121.6 Å²	121.6	71%	0.708	84%	0.836	S	S	*	*			trans	-92.6	172.6	-141.4	42.5	-35.8	0	0	0	114.8
68	V	27	Very low	31.6	Very low	133 Å²	133	121.8 Å²	121.8	81%	0.806	84%	0.838	S	S	*	*			trans	-127.1	131.5	162.9	178.1	0	0	0	0	110	V70	V68-V70 HydrophobicContact CG1-CG2 4.18Å
69	L	28.7	Very low	31.3	Very low	169 Å²	169	119.9 Å²	119.9	89%	0.885	84%	0.838	S	S	*	*			trans	-98.5	140.9	167.8	-80.7	158.5	0	0	0	109.1
70	V	27	Very low	31.2	Very low	138 Å²	138	119.7 Å²	119.7	84%	0.836	84%	0.836	S	S	*	*			trans	-141.5	132.3	160.4	-175	0	0	0	0	110.6	V68	V68-V70 HydrophobicContact CG1-CG2 4.18Å
71	A	26.9	Very low	31.1	Very low	87 Å²	87	120.5 Å²	120.5	72%	0.719	84%	0.835	S	S	*	*			trans	-153.4	-172.6	164.5	0	0	0	0	0	107.1
72	P	47.5	Very low	30.9	Very low	126 Å²	126	118 Å²	118	82%	0.818	83%	0.827	S	S	*	*				-120.1	171	-80.1	38.5	-26.6	0	0	0	113.5
73	A	25.9	Very low	30.7	Very low	101 Å²	101	119 Å²	119	84%	0.835	82%	0.821	S	S	*	*			trans	-157.2	174.6	173.1	0	0	0	0	0	112.6
74	V	29.5	Very low	30.6	Very low	140 Å²	140	122 Å²	122	85%	0.848	82%	0.824	S	S	*	*				-167.9	114.6	-92.5	150.3	0	0	0	0	110.8
75	S	29.6	Very low	29.3	Very low	123 Å²	123	119.7 Å²	119.7	86%	0.86	82%	0.824	S	S	*	*			trans	-169	150.8	166.8	51.3	0	0	0	0	108.6
76	G	28.6	Very low	29.1	Very low	69 Å²	69	120.7 Å²	120.7	71%	0.711	82%	0.823	S	S	*	*			cis	118.7	127.5	-0.8	0	0	0	0	0	111.8
77	S	30.5	Very low	28.9	Very low	133 Å²	133	114.5 Å²	114.5	93%	0.93	82%	0.816	S	S	*	*			cis	-163.6	168.7	0.2	-69	0	0	0	0	109
78	G	26.4	Very low	28.2	Very low	83 Å²	83	119.4 Å²	119.4	86%	0.856	82%	0.821	S	S	*	*			cis	148.9	114	-6.4	0	0	0	0	0	113.5
79	G	26.3	Very low	28.1	Very low	87 Å²	87	120.7 Å²	120.7	90%	0.897	82%	0.817	S	S	*	*			trans	149.3	158	177.9	0	0	0	0	0	113
80	G	26.3	Very low	27.9	Very low	74 Å²	74	116.9 Å²	116.9	76%	0.763	81%	0.805	S	S	*	*			cis	171.9	160.9	-5.3	0	0	0	0	0	112.9
81	A	27	Very low	27.8	Very low	97 Å²	97	115.9 Å²	115.9	80%	0.802	80%	0.803	S	S	*	*			trans	68.2	123.1	-176	0	0	0	0	0	115.8
82	V	27.6	Very low	27.7	Very low	135 Å²	135	116.2 Å²	116.2	82%	0.818	81%	0.806	S	S	*	*			cis	88	101.7	15.9	-160	0	0	0	0	117.2
83	S	26.1	Very low	26.6	Very low	105 Å²	105	115.2 Å²	115.2	73%	0.734	81%	0.808	S	S	*	*			trans	175.7	112.4	142.3	30.4	0	0	0	0	109.1
84	T	27.1	Very low	26.6	Very low	138 Å²	138	121.9 Å²	121.9	85%	0.847	81%	0.811	S	S	*	*				64.2	104.6	75.2	63.7	0	0	0	0	115.5
85	G	25.9	Very low	27.1	Very low	81 Å²	81	120.5 Å²	120.5	84%	0.835	81%	0.805	S	S	*	*			trans	-169.4	124	170.2	0	0	0	0	0	113.3
86	L	26.5	Very low	27	Very low	171 Å²	171	119.7 Å²	119.7	90%	0.895	80%	0.799	S	S	*	*			trans	-88.2	168.9	170.7	-57.6	145.3	0	0	0	108.1
87	S	26.3	Very low	26.9	Very low	105 Å²	105	121.6 Å²	121.6	73%	0.734	81%	0.809	S	S	*	*			cis	-165	154.5	29.3	-44.3	0	0	0	0	113.3
88	R	25.9	Very low	26.6	Very low	213 Å²	213	118.5 Å²	118.5	80%	0.804	80%	0.797	S	S	*	*			trans	32.5	137.5	133.4	-80.7	179.3	170.4	-176.4	-3.1	123.8
89	H	25.6	Very low	26.7	Very low	159 Å²	159	122 Å²	122	74%	0.736	80%	0.802	S	S	*	*			trans	67	157.9	145.2	-60.6	-49.6	0	0	0	119.3
90	S	24.5	Very low	26.6	Very low	90 Å²	90	121.8 Å²	121.8	63%	0.629	80%	0.8	S	S	*	*			cis	-169.7	158.4	-38.4	53.1	0	0	0	0	111.1
91	C	23.8	Very low	26.5	Very low	117 Å²	117	121.7 Å²	121.7	79%	0.791	80%	0.799	S	S	*	*			trans	56	137.5	151.8	69	0	0	0	0	123.9
92	A	24.9	Very low	26.5	Very low	94 Å²	94	122.4 Å²	122.4	78%	0.777	80%	0.798	S	S	*	*			trans	90.3	120.6	137.7	0	0	0	0	0	123.5
93	A	25.2	Very low	26.6	Very low	104 Å²	104	121.6 Å²	121.6	86%	0.86	80%	0.798	S	S	*	*				81.2	144.8	129.3	0	0	0	0	0	123.7
94	R	25.1	Very low	26.7	Very low	242 Å²	242	121.5 Å²	121.5	91%	0.913	80%	0.797	S	S	*	*			trans	-79.8	179.3	165	-77.2	178.8	162.1	-164.7	-2.3	110.4
95	P	41	Very low	26.7	Very low	110 Å²	110	120.3 Å²	120.3	71%	0.714	80%	0.795	S	S	*	*			cis	-143.9	178	15	38.3	-15.8	0	0	0	119.6
96	S	27	Very low	26.8	Very low	106 Å²	106	124.8 Å²	124.8	74%	0.741	80%	0.799	S	S	*	*			trans	68	125.4	140.8	56.5	0	0	0	0	124.6
97	A	26.4	Very low	26.7	Very low	110 Å²	110	119.8 Å²	119.8	91%	0.909	79%	0.788	S	S	*	*			trans	62.2	146.5	147.9	0	0	0	0	0	120.8
98	G	24.4	Very low	26.8	Very low	67 Å²	67	121 Å²	121	69%	0.691	80%	0.797	S	S	*	*			cis	166.1	171.3	-10.2	0	0	0	0	0	114.8
99	V	27	Very low	26.8	Very low	157 Å²	157	114.4 Å²	114.4	95%	0.952	80%	0.795	S	S	*	*			trans	80.1	131.8	162.8	-169.8	0	0	0	0	120.2
100	G	24.4	Very low	26.9	Very low	82 Å²	82	113 Å²	113	85%	0.845	80%	0.804	S	S	*	*			trans	87.8	137.6	166.3	0	0	0	0	0	115.3
101	G	25.1	Very low	27.1	Very low	72 Å²	72	119.8 Å²	119.8	74%	0.742	82%	0.815	S	S	*	*			cis	142.1	146	6.3	0	0	0	0	0	108.6
102	S	27.7	Very low	27.2	Very low	112 Å²	112	124.3 Å²	124.3	78%	0.783	82%	0.822	S	S	*	*			cis	-165.3	170.3	4.3	-68.8	0	0	0	0	110.4
103	S	28.3	Very low	27.2	Very low	118 Å²	118	131.6 Å²	131.6	83%	0.825	83%	0.829	S	S	*	*			trans	62.5	155.3	162.6	55.4	0	0	0	0	118.9
104	S	27.6	Very low	27.7	Very low	103 Å²	103	132 Å²	132	72%	0.72	82%	0.823	S	S	*	*			cis	-165.5	144.8	-17	47.1	0	0	0	0	107.2
105	S	29	Very low	27.7	Very low	114 Å²	114	129 Å²	129	80%	0.797	82%	0.824	S	S	*	*				176.9	177.8	78	55.1	0	0	0	0	108.5
106	L	27.3	Very low	27	Very low	174 Å²	174	132 Å²	132	91%	0.911	83%	0.833	S	S	*	*				-176.4	140.3	-52.4	-117	169.7	0	0	0	105.6
107	G	25	Very low	26.9	Very low	66 Å²	66	131.1 Å²	131.1	68%	0.68	83%	0.832	S	S	*	*			trans	133.7	73	-178.8	0	0	0	0	0	112.9
108	S	27.9	Very low	27	Very low	132 Å²	132	131.3 Å²	131.3	92%	0.923	82%	0.824	S	S	*	*				69.7	119.5	79.7	-164.3	0	0	0	0	113.9
109	G	25.2	Very low	27	Very low	74 Å²	74	136.5 Å²	136.5	76%	0.763	84%	0.835	S	S	*	*			cis	158.6	153.4	-9.1	0	0	0	0	0	114.2
110	S	28.3	Very low	27	Very low	130 Å²	130	134.4 Å²	134.4	91%	0.909	83%	0.826	S	S	*	*			trans	-167.4	163.8	148.9	-165.4	0	0	0	0	110.5
111	R	27.7	Very low	27.1	Very low	232 Å²	232	138.5 Å²	138.5	88%	0.875	83%	0.829	S	S	*	*			trans	-113.7	134.5	-170.2	-61.8	173.5	176.6	165.9	-2.8	112.6
112	K	26.4	Very low	27.1	Very low	212 Å²	212	138.3 Å²	138.3	92%	0.922	83%	0.827	S	S	*	*			trans	174.4	140	133.8	-96.9	160.5	-175.6	-177.7	0	113.1
113	R	25.5	Very low	27.1	Very low	246 Å²	246	140.7 Å²	140.7	93%	0.928	83%	0.83	S	S	*	*			trans	-162.1	163.2	161.9	-97.6	-167.8	179.9	-166.2	1	107
114	P	35.8	Very low	27	Very low	112 Å²	112	142.7 Å²	142.7	73%	0.727	83%	0.83	S	S	*	*			cis	-116.4	159.3	-15.1	38.3	-26.5	0	0	0	112.3
115	L	25.5	Very low	27	Very low	181 Å²	181	144.8 Å²	144.8	95%	0.948	83%	0.833	S	S	*	*			trans	-140.7	151.2	158	-78.3	179.5	0	0	0	109.3
116	L	26.1	Very low	26.9	Very low	172 Å²	172	144.8 Å²	144.8	90%	0.901	83%	0.833	S	S	*	*			trans	-133.8	148.3	-174.7	-129.1	167	0	0	0	107.6
117	A	25.2	Very low	27.3	Very low	88 Å²	88	146.4 Å²	146.4	73%	0.727	83%	0.828	S	S	*	*			trans	67.8	161.4	-168.7	0	0	0	0	0	112.8
118	P	27.4	Very low	27.8	Very low	113 Å²	113	151.8 Å²	151.8	73%	0.734	84%	0.836	S	S	*	*			cis	-105.9	144.8	16.4	37.9	-30.3	0	0	0	115.5
119	L	25.7	Very low	28.4	Very low	177 Å²	177	149.9 Å²	149.9	93%	0.927	82%	0.815	S	S	*	*			trans	-122.5	117.4	150.5	-78.4	173.7	0	0	0	107.2
120	C	25.5	Very low	29.2	Very low	113 Å²	113	153.1 Å²	153.1	76%	0.764	81%	0.808	S	S	*	*			trans	-140.7	146.8	174.4	-77.9	0	0	0	0	108.6
121	N	26	Very low	30.3	Very low	168 Å²	168	150.4 Å²	150.4	90%	0.898	79%	0.789	S	S	*	*			trans	66.5	130.9	-177.9	-53.8	4.6	0	0	0	114.8
122	G	25.3	Very low	31.6	Very low	68 Å²	68	144 Å²	144	70%	0.701	77%	0.773	S	S	*	*			cis	159.8	136.6	-12.9	0	0	0	0	0	113.5
123	L	27.8	Very low	33.4	Very low	162 Å²	162	139.9 Å²	139.9	85%	0.848	76%	0.76	S	S	*	*			trans	59.6	127.2	166.3	-58.3	168.6	0	0	0	115.5
124	I	26.1	Very low	35.9	Very low	160 Å²	160	129.6 Å²	129.6	82%	0.821	72%	0.722	S	S	*	*				-142.9	119.4	74.9	-77.8	144	0	0	0	109.8
125	N	27.7	Very low	38.1	Very low	146 Å²	146	126.3 Å²	126.3	78%	0.781	70%	0.7	S	S	*	*			trans	-92.8	131	160.9	-84.5	12.1	0	0	0	108.9	Y127	N125-Y127 PolarHBondContact O-N 2.86Å; N125-Y127 VanDerWaalsContact O-N 3.11Å
126	S	27.7	Very low	40.8	Very low	114 Å²	114	117.7 Å²	117.7	80%	0.797	66%	0.655	S	S	*	*			trans	-76.7	95.5	177	53.1	0	0	0	0	111.6	E128	S126-E128 PolarHBondContact O-N 3.39Å
127	Y	34.5	Very low	43.3	Very low	208 Å²	208	111.9 Å²	111.9	82%	0.816	63%	0.628	S	S	*	*	S	Bend	trans	37	65	143	-135	-79.2	0	0	0	118.8	N125	N125-Y127 PolarHBondContact O-N 2.86Å; N125-Y127 VanDerWaalsContact O-N 3.11Å
128	E	36.4	Very low	45.9	Very low	180 Å²	180	110.4 Å²	110.4	84%	0.841	61%	0.607	S	S	*	*			trans	-158.1	-28.9	146.2	-124.6	168.2	-157.1	0	0	115.8	S126 K130	S126-E128 PolarHBondContact O-N 3.39Å; E128-K130 PolarHBondContact O-N 2.91Å
129	D	39.8	Very low	48.4	Very low	91 Å²	91	107.1 Å²	107.1	49%	0.487	59%	0.586	S	S	.	*			trans	-76.4	78.2	-172.2	-172	17.1	0	0	0	114.9	S131 N132	D129-S131 VanDerWaalsContact C-N 3.33Å; D129-S131 WeakPolarHBondContact OD1-CB 3.38Å; D129-S131 PolarHBondContact OD1-N 2.75Å; D129-S131 PolarHBondContact OD1-OG 2.77Å; D129-N132 VanDerWaalsContact CG-ND2 3.34Å; D129-N132 PolarHBondContact OD1-ND2 3.11Å; D129-N132 PolarHBondContact OD2-ND2 2.87Å
130	K	43.7	Very low	51	Low	143 Å²	143	106.3 Å²	106.3	62%	0.622	58%	0.575	S	S	*	*			trans	-96.2	18.7	168.4	-67.3	178.7	178.8	170.5	0	112.7	E128	E128-K130 PolarHBondContact O-N 2.91Å
131	S	50.7	Low	53.5	Low	73 Å²	73	105.9 Å²	105.9	51%	0.51	57%	0.565	S	S	.	*	S	Bend	trans	-88.9	-43.8	-177.3	-0.6	0	0	0	0	111.5	D129 D133	D129-S131 VanDerWaalsContact C-N 3.33Å; D129-S131 WeakPolarHBondContact OD1-CB 3.38Å; D129-S131 PolarHBondContact OD1-N 2.75Å; D129-S131 PolarHBondContact OD1-OG 2.77Å; S131-D133 PolarHBondContact O-N 3.22Å
132	N	54.8	Low	56.2	Low	98 Å²	98	101 Å²	101	52%	0.524	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-80.3	-11.1	-165.4	-74	-38.7	0	0	0	115.2	D129 F134 V135	D129-N132 VanDerWaalsContact CG-ND2 3.34Å; D129-N132 PolarHBondContact OD1-ND2 3.11Å; D129-N132 PolarHBondContact OD2-ND2 2.87Å; N132-F134 PolarHBondContact O-N 3.34Å; N132-V135 PolarHBondContact O-N 3.31Å
133	D	64.4	Low	58.9	Low	124 Å²	124	98 Å²	98	66%	0.663	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-65.9	-16.9	179.4	-70.8	-38.7	0	0	0	114.4	S131	S131-D133 PolarHBondContact O-N 3.22Å
134	F	77.4	Confident	61.3	Low	30 Å²	30	95.6 Å²	95.6	13%	0.132	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	-112.9	6.5	-175.9	-59.1	-63.8	0	0	0	114	N132 M142 I143 L192 I193 Q196	N132-F134 PolarHBondContact O-N 3.34Å; F134-M142 WeakPolarHBondContact O-CA 3.49Å; F134-I143 PolarHBondContact O-N 2.8Å; F134-L192 HydrophobicContact CE1-CB 3.65Å; F134-L192 HydrophobicContact CE1-CD1 4.44Å; F134-L192 HydrophobicContact CZ-CB 4.04Å; F134-I193 HydrophobicContact CB-CG1 4.09Å; F134-I193 HydrophobicContact CD1-CD1 4.3Å; F134-I193 HydrophobicContact CD1-CG1 3.54Å; F134-I193 HydrophobicContact CE1-CG1 4.35Å; F134-I193 HydrophobicContact CG-CG1 4.1Å; F134-Q196 HydrophobicContact CD2-CG 4.2Å; F134-Q196 HydrophobicContact CE2-CG 4.46Å
135	V	82.1	Confident	64	Low	44 Å²	44	93.4 Å²	93.4	27%	0.267	48%	0.477	S	S	.	.	B	Isolated β-bridge	trans	-93.8	138.4	-177.1	176.6	0	0	0	0	110.4	N132 P137 F140 D141	N132-V135 PolarHBondContact O-N 3.31Å; V135-P137 WeakPolarHBondContact O-CD 3.11Å; V135-F140 WeakPolarHBondContact CG1-O 3.29Å; V135-D141 CarbonylContact C-O 3.59Å; V135-D141 WeakPolarHBondContact CA-O 3.32Å
136	C	81.6	Confident	66.8	Low	0 Å²	0	86.4 Å²	86.4	0%	0	44%	0.439	C	S	.	.			trans	-77.7	122.8	178.7	-172.6	0	0	0	0	110.6	I138 F140 D141 I143 C156	C136-I138 PolarHBondContact O-N 3.29Å; C136-F140 WeakPolarHBondContact O-CA 3.47Å; C136-F140 PolarHBondContact O-N 3.32Å; C136-D141 PolarHBondContact N-O 2.92Å; C136-I143 HydrophobicContact CB-CG1 3.71Å; C136-C156 WeakPolarHBondContact CB-SG 3.34Å; C136-C156 PolarHBondContact SG-N 2.9Å; C136-C156 VanDerWaalsContact SG-SG 3.64Å
137	P	78.7	Confident	69.7	Low	50 Å²	50	83.9 Å²	83.9	33%	0.325	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	11.6	178	-20.7	33.1	0	0	0	116.3	V135 F155 K172	V135-P137 WeakPolarHBondContact O-CD 3.11Å; P137-F155 HydrophobicContact CB-CD1 4.49Å; P137-F155 HydrophobicContact CB-CE1 4.11Å; P137-F155 HydrophobicContact CG-CD1 4.28Å; P137-F155 HydrophobicContact CG-CE1 4.03Å; P137-K172 HydrophobicContact CG-CD 4.14Å
138	I	80	Confident	72.1	Confident	56 Å²	56	76.9 Å²	76.9	29%	0.287	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-50.3	-177.1	-58.3	170.5	0	0	0	110.8	C136 F155 C159 I160 P171	C136-I138 PolarHBondContact O-N 3.29Å; I138-F155 HydrophobicContact CD1-CB 4.35Å; I138-F155 HydrophobicContact CD1-CD1 3.52Å; I138-F155 HydrophobicContact CD1-CE1 4.06Å; I138-F155 HydrophobicContact CD1-CG 4.13Å; I138-F155 HydrophobicContact CG1-CD1 3.82Å; I138-F155 HydrophobicContact CG1-CE1 4.16Å; I138-C159 HydrophobicContact CB-CB 3.96Å; I138-C159 HydrophobicContact CD1-CB 3.91Å; I138-C159 HydrophobicContact CG2-CB 3.92Å; I138-I160 HydrophobicContact CD1-CD1 4.4Å; I138-P171 HydrophobicContact CD1-CG 4.09Å; I138-P171 HydrophobicContact CG1-CG 4.33Å
139	C	80.7	Confident	74.4	Confident	44 Å²	44	68.3 Å²	68.3	30%	0.297	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-9.3	177.4	65.2	0	0	0	0	114.4	D141	C139-D141 PolarHBondContact O-N 3.48Å; C139-D141 VanDerWaalsContact O-N 3.15Å; C139-D141 PolarHBondContact SG-OD2 3.3Å
140	F	80.7	Confident	76.2	Confident	160 Å²	160	68.8 Å²	68.8	70%	0.702	35%	0.346	S	S	*	.			trans	64.6	4.2	-176.5	-51.2	-83.5	0	0	0	116	V135 C136	V135-F140 WeakPolarHBondContact CG1-O 3.29Å; C136-F140 WeakPolarHBondContact O-CA 3.47Å; C136-F140 PolarHBondContact O-N 3.32Å
141	D	78.5	Confident	78	Confident	104 Å²	104	63.8 Å²	63.8	56%	0.556	33%	0.329	S	S	*	.	S	Bend	trans	-82.5	167.8	168.5	-56.6	-66.2	0	0	0	113.2	V135 C136 C139 I143	V135-D141 CarbonylContact C-O 3.59Å; V135-D141 WeakPolarHBondContact CA-O 3.32Å; C136-D141 PolarHBondContact N-O 2.92Å; C139-D141 PolarHBondContact O-N 3.48Å; C139-D141 VanDerWaalsContact O-N 3.15Å; C139-D141 PolarHBondContact SG-OD2 3.3Å; D141-I143 PolarHBondContact O-N 2.9Å
142	M	81.2	Confident	79.4	Confident	66 Å²	66	62.5 Å²	62.5	33%	0.325	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-62.5	132	168.7	-175	177	-65.4	0	0	110.7	F134 E144 I193 Q196 K197	F134-M142 WeakPolarHBondContact O-CA 3.49Å; M142-E144 PolarHBondContact O-N 3.05Å; M142-I193 HydrophobicContact CG-CG2 4.1Å; M142-I193 HydrophobicContact SD-CG2 3.95Å; M142-Q196 HydrophobicContact CE-CG 4.35Å; M142-K197 HydrophobicContact SD-CD 4.2Å; M142-K197 VanDerWaalsContact SD-CE 3.51Å; M142-K197 HydrophobicContact SD-CG 3.64Å
143	I	83.1	Confident	80.8	Confident	6 Å²	6	60.2 Å²	60.2	3%	0.031	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-58.3	120.4	-170.5	-67.8	165.9	0	0	0	112.1	F134 C136 D141 A146 I193	F134-I143 PolarHBondContact O-N 2.8Å; C136-I143 HydrophobicContact CB-CG1 3.71Å; D141-I143 PolarHBondContact O-N 2.9Å; I143-A146 VanDerWaalsContact CG2-CA 3.46Å; I143-A146 HydrophobicContact CG2-CB 3.55Å; I143-I193 HydrophobicContact CB-CD1 3.68Å; I143-I193 HydrophobicContact CG2-CD1 4.16Å
144	E	77.4	Confident	81.9	Confident	111 Å²	111	55.5 Å²	55.5	52%	0.519	29%	0.29	S	S	.	.	S	Bend	trans	-96.7	124.9	169	-58.8	-146.3	128	0	0	109.9	M142 C156 Y157 K197	M142-E144 PolarHBondContact O-N 3.05Å; E144-C156 PolarHBondContact N-SG 3.07Å; E144-C156 WeakPolarHBondContact O-CA 3.4Å; E144-C156 VanDerWaalsContact O-CB 3.23Å; E144-C156 WeakPolarHBondContact O-CB 3.4Å; E144-Y157 PolarHBondContact O-N 3.03Å; E144-K197 IonicContact OE1-NZ 3.62Å
145	E	83.4	Confident	82.4	Confident	113 Å²	113	54.1 Å²	54.1	53%	0.528	28%	0.283	S	S	.	.	S	Bend	trans	52.6	76	-175.6	-58.9	179.9	148.3	0	0	111.2	Y147 Y157	E145-Y147 WeakPolarHBondContact O-CD2 3.45Å; E145-Y147 PolarHBondContact O-N 3.34Å; E145-Y157 PolarHBondContact O-N 3.06Å
146	A	87	Confident	82.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	118.3	-178.1	0	0	0	0	0	111.3	I143 F155 N186 V189 N190	I143-A146 VanDerWaalsContact CG2-CA 3.46Å; I143-A146 HydrophobicContact CG2-CB 3.55Å; A146-F155 WeakPolarHBondContact CA-O 3.47Å; A146-N186 HydrophobicContact CB-CB 4.18Å; A146-N186 PolarHBondContact O-N 3.43Å; A146-V189 HydrophobicContact CB-CB 4.09Å; A146-V189 HydrophobicContact CB-CG1 3.72Å; A146-N190 WeakPolarHBondContact CB-OD1 3.26Å; A146-N190 PolarHBondContact N-OD1 2.84Å; A146-N190 PolarHBondContact O-ND2 3.5Å
147	Y	87	Confident	83	Confident	60 Å²	60	56.1 Å²	56.1	24%	0.235	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	143	167.6	-83.8	-113.9	0	0	0	109.5	E145 S154 F155 Y157 L183 Y184 P185	E145-Y147 WeakPolarHBondContact O-CD2 3.45Å; E145-Y147 PolarHBondContact O-N 3.34Å; Y147-S154 VanDerWaalsContact O-CA 3.29Å; Y147-S154 WeakPolarHBondContact O-CA 3.46Å; Y147-F155 PolarHBondContact N-O 3.29Å; Y147-F155 PolarHBondContact O-N 3.28Å; Y147-Y157 HydrophobicContact CD1-CD2 4.04Å; Y147-Y157 AromaticContact CD2-CD2 3.76Å; Y147-Y157 HydrophobicContact CD2-CD2 3.76Å; Y147-Y157 AromaticContact CD2-CG 3.96Å; Y147-Y157 HydrophobicContact CD2-CG 3.96Å; Y147-Y157 AromaticContact CE1-CD2 3.98Å; Y147-Y157 HydrophobicContact CE1-CD2 3.98Å; Y147-Y157 HydrophobicContact CE1-CE2 4.26Å; Y147-Y157 AromaticContact CE2-CD2 3.7Å; Y147-Y157 HydrophobicContact CE2-CD2 3.7Å; Y147-Y157 AromaticContact CE2-CG 3.81Å; Y147-Y157 HydrophobicContact CE2-CG 3.81Å; Y147-Y157 AromaticContact CG-CD2 3.92Å; Y147-Y157 HydrophobicContact CG-CD2 3.92Å; Y147-Y157 AromaticContact CZ-CD2 3.8Å; Y147-L183 HydrophobicContact CD1-CB 4Å; Y147-Y184 CarbonylContact C-O 3.56Å; Y147-Y184 WeakPolarHBondContact CA-O 3.27Å; Y147-P185 HydrophobicContact CD1-CB 4.45Å; Y147-P185 HydrophobicContact CD1-CG 4.24Å; Y147-P185 HydrophobicContact CE1-CB 4.12Å; Y147-P185 HydrophobicContact CE1-CG 3.6Å; Y147-P185 HydrophobicContact CE2-CB 4.32Å
148	M	86	Confident	83.3	Confident	61 Å²	61	60.4 Å²	60.4	30%	0.3	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	144	175.5	61.3	158.5	56	0	0	112.5	H153 Y184 N186	M148-H153 WeakPolarHBondContact CA-O 3.28Å; M148-Y184 WeakPolarHBondContact CG-O 3.3Å; M148-Y184 PolarHBondContact N-O 3.46Å; M148-Y184 PolarHBondContact O-N 3.32Å; M148-N186 HydrophobicContact CB-CB 4.41Å; M148-N186 HydrophobicContact CE-CB 4.4Å; M148-N186 WeakPolarHBondContact CE-ND2 3.46Å; M148-N186 HydrophobicContact CG-CB 4.34Å
149	T	84.1	Confident	83.6	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.297	C	S	.	.			trans	-84.2	160.3	168.1	49.2	0	0	0	0	110.4	C151 G152 H153 F155 I160 C170 V177 L183	T149-C151 PolarHBondContact O-N 3.01Å; T149-C151 PolarHBondContact OG1-SG 2.97Å; T149-G152 PolarHBondContact O-N 3.42Å; T149-H153 PolarHBondContact N-O 2.81Å; T149-H153 PolarHBondContact OG1-O 2.74Å; T149-H153 VanDerWaalsContact OG1-O 3.06Å; T149-F155 HydrophobicContact CG2-CE2 4.22Å; T149-I160 HydrophobicContact CG2-CD1 4.09Å; T149-I160 HydrophobicContact CG2-CG1 3.98Å; T149-C170 HydrophobicContact CG2-CB 4.45Å; T149-V177 HydrophobicContact CG2-CG2 4.31Å; T149-L183 HydrophobicContact CG2-CD2 3.77Å
150	K	78.6	Confident	83.8	Confident	102 Å²	102	57 Å²	57	44%	0.443	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-19.3	177.8	-78.3	-179.2	173.7	171.8	0	115.4	G152 Y175 H182 Y184	K150-G152 VanDerWaalsContact C-N 3.33Å; K150-Y175 HydrophobicContact CB-CE1 4.21Å; K150-H182 HydrophobicContact CD-CB 4.07Å; K150-H182 VanDerWaalsContact CE-CD2 3.46Å; K150-H182 WeakPolarHBondContact CE-CD2 3.4Å; K150-H182 VanDerWaalsContact CE-CG 3.48Å; K150-H182 HydrophobicContact CG-CB 4.33Å; K150-H182 PolarHBondContact NZ-CD2 3.05Å; K150-H182 PolarHBondContact NZ-CE1 3.49Å; K150-H182 VanDerWaalsContact NZ-CE1 3.26Å; K150-H182 PolarHBondContact NZ-ND1 2.89Å; K150-H182 PolarHBondContact NZ-NE2 2.88Å; K150-Y184 WeakPolarHBondContact CE-OH 2.81Å; K150-Y184 HydrophobicContact CG-CE2 3.87Å
151	C	81.6	Confident	84	Confident	38 Å²	38	51.6 Å²	51.6	26%	0.257	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	12	174	60.6	0	0	0	0	114.4	T149 H153 C170 C173 Y175	T149-C151 PolarHBondContact O-N 3.01Å; T149-C151 PolarHBondContact OG1-SG 2.97Å; C151-H153 VanDerWaalsContact C-N 3.33Å; C151-H153 PolarHBondContact O-N 3.41Å; C151-C170 PolarHBondContact SG-SG 2.93Å; C151-C173 PolarHBondContact SG-SG 2.88Å; C151-Y175 HydrophobicContact CB-CD1 4.05Å; C151-Y175 HydrophobicContact CB-CD2 4.43Å; C151-Y175 HydrophobicContact CB-CG 3.92Å
152	G	78.9	Confident	84.2	Confident	45 Å²	45	51.4 Å²	51.4	46%	0.464	26%	0.255	S	S	.	.	S	Bend	trans	84.6	-8.3	172.5	0	0	0	0	0	115.7	T149 K150	T149-G152 PolarHBondContact O-N 3.42Å; K150-G152 VanDerWaalsContact C-N 3.33Å
153	H	85.1	Confident	84.3	Confident	50 Å²	50	49.6 Å²	49.6	23%	0.231	25%	0.249	C	C	.	.			trans	-77.6	132.9	178.8	-65.5	123.5	0	0	0	111.9	M148 T149 C151 F155 K172 C173	M148-H153 WeakPolarHBondContact CA-O 3.28Å; T149-H153 PolarHBondContact N-O 2.81Å; T149-H153 PolarHBondContact OG1-O 2.74Å; T149-H153 VanDerWaalsContact OG1-O 3.06Å; C151-H153 VanDerWaalsContact C-N 3.33Å; C151-H153 PolarHBondContact O-N 3.41Å; H153-F155 HydrophobicContact CB-CE2 3.63Å; H153-F155 HydrophobicContact CB-CZ 3.85Å; H153-F155 WeakPolarHBondContact O-CE2 3.44Å; H153-K172 HydrophobicContact CB-CB 4.36Å; H153-K172 VanDerWaalsContact CD2-CD 3.49Å; H153-K172 WeakPolarHBondContact CD2-CD 3.43Å; H153-C173 PolarHBondContact ND1-SG 2.83Å; H153-C173 VanDerWaalsContact ND1-SG 3.4Å
154	S	87.3	Confident	84.2	Confident	26 Å²	26	50 Å²	50	18%	0.182	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	144.1	-177.8	-57.2	0	0	0	0	112.1	Y147 N186	Y147-S154 VanDerWaalsContact O-CA 3.29Å; Y147-S154 WeakPolarHBondContact O-CA 3.46Å; S154-N186 PolarHBondContact OG-ND2 3.43Å
155	F	87.6	Confident	84.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	168.6	-174.7	-54.7	-90.3	0	0	0	109.8	P137 I138 A146 Y147 T149 H153 I160 P171 K172	P137-F155 HydrophobicContact CB-CD1 4.49Å; P137-F155 HydrophobicContact CB-CE1 4.11Å; P137-F155 HydrophobicContact CG-CD1 4.28Å; P137-F155 HydrophobicContact CG-CE1 4.03Å; I138-F155 HydrophobicContact CD1-CB 4.35Å; I138-F155 HydrophobicContact CD1-CD1 3.52Å; I138-F155 HydrophobicContact CD1-CE1 4.06Å; I138-F155 HydrophobicContact CD1-CG 4.13Å; I138-F155 HydrophobicContact CG1-CD1 3.82Å; I138-F155 HydrophobicContact CG1-CE1 4.16Å; A146-F155 WeakPolarHBondContact CA-O 3.47Å; Y147-F155 PolarHBondContact N-O 3.29Å; Y147-F155 PolarHBondContact O-N 3.28Å; T149-F155 HydrophobicContact CG2-CE2 4.22Å; H153-F155 HydrophobicContact CB-CE2 3.63Å; H153-F155 HydrophobicContact CB-CZ 3.85Å; H153-F155 WeakPolarHBondContact O-CE2 3.44Å; F155-I160 HydrophobicContact CB-CB 3.81Å; F155-I160 HydrophobicContact CB-CG1 4.49Å; F155-I160 HydrophobicContact CB-CG2 4.21Å; F155-I160 HydrophobicContact CD2-CB 4.2Å; F155-I160 HydrophobicContact CD2-CD1 3.82Å; F155-I160 HydrophobicContact CD2-CG1 3.95Å; F155-I160 HydrophobicContact CE2-CD1 3.97Å; F155-I160 HydrophobicContact CG-CB 4.14Å; F155-I160 HydrophobicContact CG-CD1 4.19Å; F155-I160 HydrophobicContact CG-CG1 4.35Å; F155-I160 HydrophobicContact CZ-CD1 4.45Å; F155-P171 HydrophobicContact CE1-CB 4.42Å; F155-K172 HydrophobicContact CE1-CB 4.42Å; F155-K172 HydrophobicContact CZ-CB 4.01Å
156	C	88.9	Confident	84	Confident	7 Å²	7	49.9 Å²	49.9	5%	0.047	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	139.7	165	-48.6	0	0	0	0	109.9	C136 E144 K158 C159 I160	C136-C156 WeakPolarHBondContact CB-SG 3.34Å; C136-C156 PolarHBondContact SG-N 2.9Å; C136-C156 VanDerWaalsContact SG-SG 3.64Å; E144-C156 PolarHBondContact N-SG 3.07Å; E144-C156 WeakPolarHBondContact O-CA 3.4Å; E144-C156 VanDerWaalsContact O-CB 3.23Å; E144-C156 WeakPolarHBondContact O-CB 3.4Å; C156-K158 PolarHBondContact O-N 3.08Å; C156-C159 HydrophobicContact CB-CB 4.05Å; C156-C159 PolarHBondContact O-N 2.79Å; C156-C159 VanDerWaalsContact O-N 3.15Å; C156-I160 WeakPolarHBondContact O-CG2 3.4Å; C156-I160 PolarHBondContact O-N 3.04Å
157	Y	86.6	Confident	83.6	Confident	80 Å²	80	55 Å²	55	31%	0.314	28%	0.281	S	S	.	.	H	α-helix	trans	-49.1	-56	179.1	176.2	-122.7	0	0	0	112.3	E144 E145 Y147 C159 I160 H161	E144-Y157 PolarHBondContact O-N 3.03Å; E145-Y157 PolarHBondContact O-N 3.06Å; Y147-Y157 HydrophobicContact CD1-CD2 4.04Å; Y147-Y157 AromaticContact CD2-CD2 3.76Å; Y147-Y157 HydrophobicContact CD2-CD2 3.76Å; Y147-Y157 AromaticContact CD2-CG 3.96Å; Y147-Y157 HydrophobicContact CD2-CG 3.96Å; Y147-Y157 AromaticContact CE1-CD2 3.98Å; Y147-Y157 HydrophobicContact CE1-CD2 3.98Å; Y147-Y157 HydrophobicContact CE1-CE2 4.26Å; Y147-Y157 AromaticContact CE2-CD2 3.7Å; Y147-Y157 HydrophobicContact CE2-CD2 3.7Å; Y147-Y157 AromaticContact CE2-CG 3.81Å; Y147-Y157 HydrophobicContact CE2-CG 3.81Å; Y147-Y157 AromaticContact CG-CD2 3.92Å; Y147-Y157 HydrophobicContact CG-CD2 3.92Å; Y147-Y157 AromaticContact CZ-CD2 3.8Å; Y157-C159 VanDerWaalsContact C-N 3.33Å; Y157-C159 PolarHBondContact O-N 3.43Å; Y157-I160 WeakPolarHBondContact O-CG2 3.48Å; Y157-I160 PolarHBondContact O-N 2.85Å; Y157-H161 AromaticContact CE2-CD2 3.78Å; Y157-H161 AromaticContact CZ-CD2 3.74Å; Y157-H161 WeakPolarHBondContact O-CB 3.38Å; Y157-H161 PolarHBondContact O-N 3.06Å; Y157-H161 PolarHBondContact OH-CD2 3.14Å
158	K	86.4	Confident	83.4	Confident	140 Å²	140	56 Å²	56	61%	0.609	29%	0.291	S	S	*	.	H	α-helix	trans	-54.7	-46.3	179.3	-60.8	169.4	-172.6	162.7	0	112.3	C156 H161 Q162	C156-K158 PolarHBondContact O-N 3.08Å; K158-H161 PolarHBondContact O-N 3.22Å; K158-Q162 PolarHBondContact O-N 3.08Å
159	C	86.2	Confident	83.2	Confident	29 Å²	29	58.1 Å²	58.1	20%	0.196	30%	0.296	C	S	.	.	H	α-helix	trans	-68	-40.4	-175.5	-58.7	0	0	0	0	112.6	I138 C156 Y157 S163	I138-C159 HydrophobicContact CB-CB 3.96Å; I138-C159 HydrophobicContact CD1-CB 3.91Å; I138-C159 HydrophobicContact CG2-CB 3.92Å; C156-C159 HydrophobicContact CB-CB 4.05Å; C156-C159 PolarHBondContact O-N 2.79Å; C156-C159 VanDerWaalsContact O-N 3.15Å; Y157-C159 VanDerWaalsContact C-N 3.33Å; Y157-C159 PolarHBondContact O-N 3.43Å; C159-S163 VanDerWaalsContact O-CB 3.23Å; C159-S163 WeakPolarHBondContact O-CB 3.5Å; C159-S163 PolarHBondContact O-N 3.38Å; C159-S163 VanDerWaalsContact O-N 3.09Å
160	I	83.8	Confident	83	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-79.1	-28.7	176.9	-166.4	61	0	0	0	112.5	I138 T149 F155 C156 Y157 L164 P171 L183	I138-I160 HydrophobicContact CD1-CD1 4.4Å; T149-I160 HydrophobicContact CG2-CD1 4.09Å; T149-I160 HydrophobicContact CG2-CG1 3.98Å; F155-I160 HydrophobicContact CB-CB 3.81Å; F155-I160 HydrophobicContact CB-CG1 4.49Å; F155-I160 HydrophobicContact CB-CG2 4.21Å; F155-I160 HydrophobicContact CD2-CB 4.2Å; F155-I160 HydrophobicContact CD2-CD1 3.82Å; F155-I160 HydrophobicContact CD2-CG1 3.95Å; F155-I160 HydrophobicContact CE2-CD1 3.97Å; F155-I160 HydrophobicContact CG-CB 4.14Å; F155-I160 HydrophobicContact CG-CD1 4.19Å; F155-I160 HydrophobicContact CG-CG1 4.35Å; F155-I160 HydrophobicContact CZ-CD1 4.45Å; C156-I160 WeakPolarHBondContact O-CG2 3.4Å; C156-I160 PolarHBondContact O-N 3.04Å; Y157-I160 WeakPolarHBondContact O-CG2 3.48Å; Y157-I160 PolarHBondContact O-N 2.85Å; I160-L164 HydrophobicContact CD1-CD1 4.37Å; I160-L164 HydrophobicContact CD1-CG 4.18Å; I160-L164 HydrophobicContact CG1-CD1 4.04Å; I160-L164 HydrophobicContact CG1-CG 4.27Å; I160-L164 WeakPolarHBondContact O-CB 3.28Å; I160-L164 VanDerWaalsContact O-CG 3.24Å; I160-L164 WeakPolarHBondContact O-CG 3.39Å; I160-L164 PolarHBondContact O-N 2.96Å; I160-P171 HydrophobicContact CD1-CG 4.39Å; I160-L183 HydrophobicContact CG1-CD2 3.78Å; I160-L183 HydrophobicContact CG2-CD1 3.96Å; I160-L183 HydrophobicContact CG2-CD2 3.92Å
161	H	84.4	Confident	83.1	Confident	46 Å²	46	56.3 Å²	56.3	21%	0.213	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-54.9	172.1	-157.2	-77.3	0	0	0	110.5	Y157 K158 S163 L164 E165	Y157-H161 AromaticContact CE2-CD2 3.78Å; Y157-H161 AromaticContact CZ-CD2 3.74Å; Y157-H161 WeakPolarHBondContact O-CB 3.38Å; Y157-H161 PolarHBondContact O-N 3.06Å; Y157-H161 PolarHBondContact OH-CD2 3.14Å; K158-H161 PolarHBondContact O-N 3.22Å; H161-S163 VanDerWaalsContact C-N 3.35Å; H161-S163 PolarHBondContact O-N 3.09Å; H161-L164 PolarHBondContact O-N 2.64Å; H161-L164 VanDerWaalsContact O-N 3.09Å; H161-E165 IonicContact CE1-OE1 2.85Å; H161-E165 PolarHBondContact CE1-OE1 2.81Å; H161-E165 IonicContact ND1-OE1 3.91Å; H161-E165 PolarHBondContact ND1-OE1 3.43Å; H161-E165 PolarHBondContact O-N 3.24Å
162	Q	84.4	Confident	82.9	Confident	100 Å²	100	60.6 Å²	60.6	47%	0.467	31%	0.309	S	S	.	.	H	α-helix	trans	-59.2	-45.6	178	-164.9	64.2	72.9	0	0	111.7	K158 L164 E165 D166	K158-Q162 PolarHBondContact O-N 3.08Å; Q162-L164 PolarHBondContact O-N 3.01Å; Q162-E165 PolarHBondContact NE2-OE2 3.01Å; Q162-E165 WeakPolarHBondContact O-CB 3.48Å; Q162-E165 PolarHBondContact O-N 3.2Å; Q162-D166 PolarHBondContact O-N 2.89Å; Q162-D166 VanDerWaalsContact O-N 3.11Å
163	S	81.8	Confident	83	Confident	27 Å²	27	61.4 Å²	61.4	19%	0.189	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-28.5	178.2	-178.9	0	0	0	0	113.6	C159 H161 N167 P171	C159-S163 VanDerWaalsContact O-CB 3.23Å; C159-S163 WeakPolarHBondContact O-CB 3.5Å; C159-S163 PolarHBondContact O-N 3.38Å; C159-S163 VanDerWaalsContact O-N 3.09Å; H161-S163 VanDerWaalsContact C-N 3.35Å; H161-S163 PolarHBondContact O-N 3.09Å; S163-N167 CarbonylContact O-C 2.9Å; S163-N167 PolarHBondContact O-N 2.75Å; S163-P171 VanDerWaalsContact OG-CG 3.26Å; S163-P171 WeakPolarHBondContact OG-CG 3.43Å
164	L	81.1	Confident	82.7	Confident	14 Å²	14	64 Å²	64	7%	0.073	32%	0.322	C	S	.	.	H	α-helix	trans	-88	-22	178.7	-72.5	179	0	0	0	113.6	I160 H161 Q162 N167 V177 L183	I160-L164 HydrophobicContact CD1-CD1 4.37Å; I160-L164 HydrophobicContact CD1-CG 4.18Å; I160-L164 HydrophobicContact CG1-CD1 4.04Å; I160-L164 HydrophobicContact CG1-CG 4.27Å; I160-L164 WeakPolarHBondContact O-CB 3.28Å; I160-L164 VanDerWaalsContact O-CG 3.24Å; I160-L164 WeakPolarHBondContact O-CG 3.39Å; I160-L164 PolarHBondContact O-N 2.96Å; H161-L164 PolarHBondContact O-N 2.64Å; H161-L164 VanDerWaalsContact O-N 3.09Å; Q162-L164 PolarHBondContact O-N 3.01Å; L164-N167 WeakPolarHBondContact CA-O 3.42Å; L164-V177 HydrophobicContact CD1-CB 4.24Å; L164-V177 HydrophobicContact CD1-CG1 3.9Å; L164-V177 HydrophobicContact CD2-CB 3.89Å; L164-V177 HydrophobicContact CD2-CG1 4.44Å; L164-V177 HydrophobicContact CD2-CG2 4.2Å; L164-L183 HydrophobicContact CD1-CD1 4.19Å; L164-L183 HydrophobicContact CD1-CD2 3.88Å; L164-L183 HydrophobicContact CD1-CG 4.13Å
165	E	80.8	Confident	82.4	Confident	108 Å²	108	68.6 Å²	68.6	51%	0.505	34%	0.336	S	S	.	.	H	α-helix	trans	-65.5	-45.2	164.6	-70	168.2	-160.5	0	0	110.7	H161 Q162 I180	H161-E165 IonicContact CE1-OE1 2.85Å; H161-E165 PolarHBondContact CE1-OE1 2.81Å; H161-E165 IonicContact ND1-OE1 3.91Å; H161-E165 PolarHBondContact ND1-OE1 3.43Å; H161-E165 PolarHBondContact O-N 3.24Å; Q162-E165 PolarHBondContact NE2-OE2 3.01Å; Q162-E165 WeakPolarHBondContact O-CB 3.48Å; Q162-E165 PolarHBondContact O-N 3.2Å; E165-I180 HydrophobicContact CG-CD1 4.41Å
166	D	77.6	Confident	82.1	Confident	114 Å²	114	70.6 Å²	70.6	61%	0.61	35%	0.348	S	S	*	.	H	α-helix	trans	-76.1	-38.1	-179	-69.2	-44.3	0	0	0	113.3	Q162	Q162-D166 PolarHBondContact O-N 2.89Å; Q162-D166 VanDerWaalsContact O-N 3.11Å
167	N	78.1	Confident	81.6	Confident	107 Å²	107	70.6 Å²	70.6	57%	0.572	35%	0.348	S	S	*	.			trans	-149.9	125	178.8	-87.2	-87.3	0	0	0	111.6	S163 L164 R169	S163-N167 CarbonylContact O-C 2.9Å; S163-N167 PolarHBondContact O-N 2.75Å; L164-N167 WeakPolarHBondContact CA-O 3.42Å; N167-R169 PolarHBondContact O-N 3.4Å
168	N	81.6	Confident	80.7	Confident	82 Å²	82	72.7 Å²	72.7	44%	0.439	37%	0.365	S	S	.	.	S	Bend	trans	-72.1	38	-177.7	72.2	-12.3	0	0	0	115.6	V176 V177	N168-V176 CarbonylContact O-C 3.58Å; N168-V176 WeakPolarHBondContact O-CA 3.48Å; N168-V177 PolarHBondContact O-N 2.98Å
169	R	81.6	Confident	80.1	Confident	106 Å²	106	69.6 Å²	69.6	40%	0.4	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-137.3	137.7	-174.3	-61.6	-174.8	175.9	-94.6	-2.4	112	N167 P171 N174 Y175 V176	N167-R169 PolarHBondContact O-N 3.4Å; R169-P171 WeakPolarHBondContact O-CD 3.41Å; R169-N174 WeakPolarHBondContact CD-OD1 3.45Å; R169-N174 PolarHBondContact NH1-O 3.4Å; R169-Y175 CarbonylContact C-O 3.52Å; R169-Y175 WeakPolarHBondContact CA-O 3.46Å; R169-V176 HydrophobicContact CG-CG2 4.49Å
170	C	81.3	Confident	79.3	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.359	C	S	.	.			trans	-64.7	119.2	176.5	176.6	0	0	0	0	111.4	T149 C151 K172 C173 N174 Y175	T149-C170 HydrophobicContact CG2-CB 4.45Å; C151-C170 PolarHBondContact SG-SG 2.93Å; C170-K172 PolarHBondContact O-N 3.36Å; C170-C173 PolarHBondContact O-N 2.92Å; C170-N174 WeakPolarHBondContact O-CA 3.47Å; C170-N174 PolarHBondContact O-N 3.49Å; C170-Y175 PolarHBondContact N-O 3.33Å
171	P	80.6	Confident	78.6	Confident	63 Å²	63	76.9 Å²	76.9	41%	0.409	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.3	-173.6	-31.3	38.5	0	0	0	115.7	I138 F155 I160 S163 R169	I138-P171 HydrophobicContact CD1-CG 4.09Å; I138-P171 HydrophobicContact CG1-CG 4.33Å; F155-P171 HydrophobicContact CE1-CB 4.42Å; I160-P171 HydrophobicContact CD1-CG 4.39Å; S163-P171 VanDerWaalsContact OG-CG 3.26Å; S163-P171 WeakPolarHBondContact OG-CG 3.43Å; R169-P171 WeakPolarHBondContact O-CD 3.41Å
172	K	77.9	Confident	78	Confident	129 Å²	129	76.9 Å²	76.9	56%	0.561	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-17.3	-175.2	-173.4	160.4	171.3	172.2	0	114.8	P137 H153 F155 C170	P137-K172 HydrophobicContact CG-CD 4.14Å; H153-K172 HydrophobicContact CB-CB 4.36Å; H153-K172 VanDerWaalsContact CD2-CD 3.49Å; H153-K172 WeakPolarHBondContact CD2-CD 3.43Å; F155-K172 HydrophobicContact CE1-CB 4.42Å; F155-K172 HydrophobicContact CZ-CB 4.01Å; C170-K172 PolarHBondContact O-N 3.36Å
173	C	79.8	Confident	77.9	Confident	61 Å²	61	72.9 Å²	72.9	41%	0.412	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.9	7.8	179.4	66.4	0	0	0	0	115.8	C151 H153 C170 Y175	C151-C173 PolarHBondContact SG-SG 2.88Å; H153-C173 PolarHBondContact ND1-SG 2.83Å; H153-C173 VanDerWaalsContact ND1-SG 3.4Å; C170-C173 PolarHBondContact O-N 2.92Å; C173-Y175 PolarHBondContact O-N 2.81Å
174	N	79.6	Confident	78	Confident	105 Å²	105	76.7 Å²	76.7	56%	0.561	38%	0.384	S	S	*	.			trans	61.3	11.7	175.6	-136.1	5.7	0	0	0	116.1	R169 C170	R169-N174 WeakPolarHBondContact CD-OD1 3.45Å; R169-N174 PolarHBondContact NH1-O 3.4Å; C170-N174 WeakPolarHBondContact O-CA 3.47Å; C170-N174 PolarHBondContact O-N 3.49Å
175	Y	80.8	Confident	78.2	Confident	123 Å²	123	78.4 Å²	78.4	48%	0.482	40%	0.396	S	S	.	.			trans	-63.5	133.3	174.3	-176.8	-90.1	0	0	0	110.6	K150 C151 R169 C170 C173	K150-Y175 HydrophobicContact CB-CE1 4.21Å; C151-Y175 HydrophobicContact CB-CD1 4.05Å; C151-Y175 HydrophobicContact CB-CD2 4.43Å; C151-Y175 HydrophobicContact CB-CG 3.92Å; R169-Y175 CarbonylContact C-O 3.52Å; R169-Y175 WeakPolarHBondContact CA-O 3.46Å; C170-Y175 PolarHBondContact N-O 3.33Å; C173-Y175 PolarHBondContact O-N 2.81Å
176	V	80.3	Confident	78.5	Confident	41 Å²	41	74.1 Å²	74.1	25%	0.248	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-72.9	136.6	-176.7	-173.4	0	0	0	0	110.5	N168 R169 D178	N168-V176 CarbonylContact O-C 3.58Å; N168-V176 WeakPolarHBondContact O-CA 3.48Å; R169-V176 HydrophobicContact CG-CG2 4.49Å; V176-D178 WeakPolarHBondContact CG1-OD1 3.43Å
177	V	80.1	Confident	78.9	Confident	7 Å²	7	76 Å²	76	4%	0.042	38%	0.379	C	S	.	.			trans	-121.5	93.7	176.7	-175.7	0	0	0	0	107.3	T149 L164 N168 N179 H182	T149-V177 HydrophobicContact CG2-CG2 4.31Å; L164-V177 HydrophobicContact CD1-CB 4.24Å; L164-V177 HydrophobicContact CD1-CG1 3.9Å; L164-V177 HydrophobicContact CD2-CB 3.89Å; L164-V177 HydrophobicContact CD2-CG1 4.44Å; L164-V177 HydrophobicContact CD2-CG2 4.2Å; N168-V177 PolarHBondContact O-N 2.98Å; V177-N179 PolarHBondContact O-N 3.3Å; V177-N179 VanDerWaalsContact O-N 3.12Å; V177-H182 HydrophobicContact CG1-CB 4.07Å
178	D	67.7	Low	79	Confident	125 Å²	125	76.8 Å²	76.8	67%	0.668	38%	0.383	S	S	*	.			trans	-69.6	-10.8	-166.1	-47.3	-76.3	0	0	0	115.2	V176	V176-D178 WeakPolarHBondContact CG1-OD1 3.43Å
179	N	73.2	Confident	79	Confident	75 Å²	75	74.2 Å²	74.2	40%	0.401	37%	0.37	S	S	.	.			trans	-158.6	147.8	178.3	-171.9	12	0	0	0	110.3	V177 D181 H182	V177-N179 PolarHBondContact O-N 3.3Å; V177-N179 VanDerWaalsContact O-N 3.12Å; N179-D181 VanDerWaalsContact C-N 3.27Å; N179-D181 PolarHBondContact ND2-OD2 3.3Å; N179-D181 PolarHBondContact O-N 2.81Å; N179-H182 VanDerWaalsContact O-CB 3.32Å; N179-H182 WeakPolarHBondContact O-CB 3.29Å; N179-H182 PolarHBondContact O-N 2.86Å
180	I	69.4	Low	79.1	Confident	57 Å²	57	71 Å²	71	29%	0.292	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-66.3	-29.3	-179.6	-63.6	176	0	0	0	111.4	E165 H182 L183	E165-I180 HydrophobicContact CG-CD1 4.41Å; I180-H182 PolarHBondContact O-N 3.49Å; I180-L183 HydrophobicContact CG2-CD1 4.18Å; I180-L183 WeakPolarHBondContact O-CB 3.46Å; I180-L183 WeakPolarHBondContact O-CG 3.32Å; I180-L183 PolarHBondContact O-N 2.95Å
181	D	69.8	Low	79.2	Confident	125 Å²	125	77.4 Å²	77.4	67%	0.668	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-60.4	-3.4	172.3	-58.5	-43.5	0	0	0	114.3	N179	N179-D181 VanDerWaalsContact C-N 3.27Å; N179-D181 PolarHBondContact ND2-OD2 3.3Å; N179-D181 PolarHBondContact O-N 2.81Å
182	H	71.3	Confident	79.2	Confident	46 Å²	46	77.8 Å²	77.8	21%	0.213	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-95	11.9	173.6	-60.6	153.2	0	0	0	114	K150 V177 N179 I180 Y184	K150-H182 HydrophobicContact CD-CB 4.07Å; K150-H182 VanDerWaalsContact CE-CD2 3.46Å; K150-H182 WeakPolarHBondContact CE-CD2 3.4Å; K150-H182 VanDerWaalsContact CE-CG 3.48Å; K150-H182 HydrophobicContact CG-CB 4.33Å; K150-H182 PolarHBondContact NZ-CD2 3.05Å; K150-H182 PolarHBondContact NZ-CE1 3.49Å; K150-H182 VanDerWaalsContact NZ-CE1 3.26Å; K150-H182 PolarHBondContact NZ-ND1 2.89Å; K150-H182 PolarHBondContact NZ-NE2 2.88Å; V177-H182 HydrophobicContact CG1-CB 4.07Å; N179-H182 VanDerWaalsContact O-CB 3.32Å; N179-H182 WeakPolarHBondContact O-CB 3.29Å; N179-H182 PolarHBondContact O-N 2.86Å; I180-H182 PolarHBondContact O-N 3.49Å; H182-Y184 VanDerWaalsContact O-CE2 3.3Å; H182-Y184 WeakPolarHBondContact O-CE2 3.35Å
183	L	82.4	Confident	79.4	Confident	16 Å²	16	71.9 Å²	71.9	8%	0.084	36%	0.364	C	S	.	.			trans	-89.6	125.9	166.2	-66.3	176.1	0	0	0	110.4	Y147 T149 I160 L164 I180	Y147-L183 HydrophobicContact CD1-CB 4Å; T149-L183 HydrophobicContact CG2-CD2 3.77Å; I160-L183 HydrophobicContact CG1-CD2 3.78Å; I160-L183 HydrophobicContact CG2-CD1 3.96Å; I160-L183 HydrophobicContact CG2-CD2 3.92Å; L164-L183 HydrophobicContact CD1-CD1 4.19Å; L164-L183 HydrophobicContact CD1-CD2 3.88Å; L164-L183 HydrophobicContact CD1-CG 4.13Å; I180-L183 HydrophobicContact CG2-CD1 4.18Å; I180-L183 WeakPolarHBondContact O-CB 3.46Å; I180-L183 WeakPolarHBondContact O-CG 3.32Å; I180-L183 PolarHBondContact O-N 2.95Å
184	Y	84.2	Confident	79.4	Confident	106 Å²	106	74 Å²	74	42%	0.416	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.7	-179.5	-55.2	-78.8	0	0	0	110.9	Y147 M148 K150 H182 N186	Y147-Y184 CarbonylContact C-O 3.56Å; Y147-Y184 WeakPolarHBondContact CA-O 3.27Å; M148-Y184 WeakPolarHBondContact CG-O 3.3Å; M148-Y184 PolarHBondContact N-O 3.46Å; M148-Y184 PolarHBondContact O-N 3.32Å; K150-Y184 WeakPolarHBondContact CE-OH 2.81Å; K150-Y184 HydrophobicContact CG-CE2 3.87Å; H182-Y184 VanDerWaalsContact O-CE2 3.3Å; H182-Y184 WeakPolarHBondContact O-CE2 3.35Å; Y184-N186 PolarHBondContact O-N 2.93Å
185	P	85.1	Confident	79.4	Confident	50 Å²	50	74.7 Å²	74.7	33%	0.325	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	125.2	176.4	-14.4	24.3	0	0	0	111	Y147 F187	Y147-P185 HydrophobicContact CD1-CB 4.45Å; Y147-P185 HydrophobicContact CD1-CG 4.24Å; Y147-P185 HydrophobicContact CE1-CB 4.12Å; Y147-P185 HydrophobicContact CE1-CG 3.6Å; Y147-P185 HydrophobicContact CE2-CB 4.32Å; P185-F187 HydrophobicContact CB-CD2 4.34Å; P185-F187 HydrophobicContact CB-CE1 4.19Å; P185-F187 HydrophobicContact CB-CE2 3.79Å; P185-F187 HydrophobicContact CB-CZ 3.71Å; P185-F187 HydrophobicContact CG-CE2 4.24Å; P185-F187 HydrophobicContact CG-CZ 4.09Å; P185-F187 WeakPolarHBondContact O-CD2 3.4Å; P185-F187 PolarHBondContact O-N 2.97Å
186	N	85.5	Confident	79.1	Confident	18 Å²	18	71.1 Å²	71.1	10%	0.096	36%	0.356	C	S	.	.			trans	-91.6	75.7	179.6	-169.9	-14.5	0	0	0	110.5	A146 M148 S154 Y184 L188 V189 N190	A146-N186 HydrophobicContact CB-CB 4.18Å; A146-N186 PolarHBondContact O-N 3.43Å; M148-N186 HydrophobicContact CB-CB 4.41Å; M148-N186 HydrophobicContact CE-CB 4.4Å; M148-N186 WeakPolarHBondContact CE-ND2 3.46Å; M148-N186 HydrophobicContact CG-CB 4.34Å; S154-N186 PolarHBondContact OG-ND2 3.43Å; Y184-N186 PolarHBondContact O-N 2.93Å; N186-L188 PolarHBondContact O-N 3.18Å; N186-V189 HydrophobicContact CB-CB 4.3Å; N186-V189 WeakPolarHBondContact ND2-CG2 3.33Å; N186-V189 PolarHBondContact O-N 2.93Å; N186-V189 VanDerWaalsContact O-N 3.16Å; N186-V189 PolarHBondContact OD1-N 3.23Å; N186-V189 VanDerWaalsContact OD1-N 3.12Å; N186-N190 PolarHBondContact O-N 3.02Å; N186-N190 PolarHBondContact O-ND2 3.42Å; N186-N190 VanDerWaalsContact O-ND2 3.12Å
187	F	86.1	Confident	78.7	Confident	154 Å²	154	72.5 Å²	72.5	68%	0.675	36%	0.358	S	S	*	.	H	α-helix	trans	-54.3	-35	-179.6	-60.7	-75.8	0	0	0	113.6	P185 N190 E191	P185-F187 HydrophobicContact CB-CD2 4.34Å; P185-F187 HydrophobicContact CB-CE1 4.19Å; P185-F187 HydrophobicContact CB-CE2 3.79Å; P185-F187 HydrophobicContact CB-CZ 3.71Å; P185-F187 HydrophobicContact CG-CE2 4.24Å; P185-F187 HydrophobicContact CG-CZ 4.09Å; P185-F187 WeakPolarHBondContact O-CD2 3.4Å; P185-F187 PolarHBondContact O-N 2.97Å; F187-N190 PolarHBondContact O-N 2.87Å; F187-E191 PolarHBondContact O-N 3.32Å
188	L	80.8	Confident	78.3	Confident	124 Å²	124	77.6 Å²	77.6	65%	0.649	38%	0.382	S	S	*	.	H	α-helix	trans	-67.6	-42.6	178.9	-178.1	64.6	0	0	0	112.1	N186 L192	N186-L188 PolarHBondContact O-N 3.18Å; L188-L192 HydrophobicContact CG-CD1 4.4Å; L188-L192 VanDerWaalsContact O-CG 3.3Å; L188-L192 WeakPolarHBondContact O-CG 3.47Å; L188-L192 PolarHBondContact O-N 3.46Å; L188-L192 VanDerWaalsContact O-N 3.08Å
189	V	82.1	Confident	78.3	Confident	28 Å²	28	77.8 Å²	77.8	17%	0.17	37%	0.373	C	S	.	.	H	α-helix	trans	-69.8	-36.5	174.9	169.2	0	0	0	0	110.8	A146 N186 L192 I193	A146-V189 HydrophobicContact CB-CB 4.09Å; A146-V189 HydrophobicContact CB-CG1 3.72Å; N186-V189 HydrophobicContact CB-CB 4.3Å; N186-V189 WeakPolarHBondContact ND2-CG2 3.33Å; N186-V189 PolarHBondContact O-N 2.93Å; N186-V189 VanDerWaalsContact O-N 3.16Å; N186-V189 PolarHBondContact OD1-N 3.23Å; N186-V189 VanDerWaalsContact OD1-N 3.12Å; V189-L192 PolarHBondContact O-N 3.41Å; V189-I193 HydrophobicContact CG1-CD1 3.57Å; V189-I193 HydrophobicContact CG1-CG1 4.17Å; V189-I193 WeakPolarHBondContact O-CB 3.41Å; V189-I193 VanDerWaalsContact O-CG1 3.22Å; V189-I193 WeakPolarHBondContact O-CG1 3.43Å; V189-I193 PolarHBondContact O-N 3.21Å
190	N	83.2	Confident	77.7	Confident	37 Å²	37	81.2 Å²	81.2	20%	0.198	39%	0.385	C	S	.	.	H	α-helix	trans	-61	-46.2	173	-73.4	-49.4	0	0	0	112.6	A146 N186 F187 L192 I193 L194	A146-N190 WeakPolarHBondContact CB-OD1 3.26Å; A146-N190 PolarHBondContact N-OD1 2.84Å; A146-N190 PolarHBondContact O-ND2 3.5Å; N186-N190 PolarHBondContact O-N 3.02Å; N186-N190 PolarHBondContact O-ND2 3.42Å; N186-N190 VanDerWaalsContact O-ND2 3.12Å; F187-N190 PolarHBondContact O-N 2.87Å; N190-L192 PolarHBondContact O-N 3.13Å; N190-I193 PolarHBondContact O-N 2.96Å; N190-L194 WeakPolarHBondContact O-CB 3.47Å; N190-L194 VanDerWaalsContact O-CG 3.3Å; N190-L194 WeakPolarHBondContact O-CG 3.37Å; N190-L194 PolarHBondContact O-N 3.17Å
191	E	83.3	Confident	77	Confident	136 Å²	136	83.6 Å²	83.6	64%	0.636	40%	0.395	S	S	*	.	H	α-helix	trans	-55.5	-47.6	172	-90.1	-106.1	131.6	0	0	112.1	F187 L194 K195	F187-E191 PolarHBondContact O-N 3.32Å; E191-L194 PolarHBondContact O-N 3.48Å; E191-K195 VanDerWaalsContact O-CB 3.31Å; E191-K195 WeakPolarHBondContact O-CB 3.39Å; E191-K195 PolarHBondContact O-N 3.18Å
192	L	81.8	Confident	76.1	Confident	71 Å²	71	82.4 Å²	82.4	37%	0.372	39%	0.385	S	S	.	.	H	α-helix	trans	-66.3	-38	-179.8	-70.7	171.4	0	0	0	112.3	F134 L188 V189 N190 K195 Q196	F134-L192 HydrophobicContact CE1-CB 3.65Å; F134-L192 HydrophobicContact CE1-CD1 4.44Å; F134-L192 HydrophobicContact CZ-CB 4.04Å; L188-L192 HydrophobicContact CG-CD1 4.4Å; L188-L192 VanDerWaalsContact O-CG 3.3Å; L188-L192 WeakPolarHBondContact O-CG 3.47Å; L188-L192 PolarHBondContact O-N 3.46Å; L188-L192 VanDerWaalsContact O-N 3.08Å; V189-L192 PolarHBondContact O-N 3.41Å; N190-L192 PolarHBondContact O-N 3.13Å; L192-K195 CarbonylContact O-C 3.56Å; L192-K195 PolarHBondContact O-N 2.94Å; L192-Q196 WeakPolarHBondContact O-CB 3.43Å; L192-Q196 PolarHBondContact O-N 2.96Å
193	I	80.6	Confident	75.2	Confident	5 Å²	5	87.4 Å²	87.4	3%	0.026	41%	0.406	C	S	.	.	H	α-helix	trans	-66.9	-44.2	174.9	-72.2	171	0	0	0	111	F134 M142 I143 V189 N190 K195 Q196 K197	F134-I193 HydrophobicContact CB-CG1 4.09Å; F134-I193 HydrophobicContact CD1-CD1 4.3Å; F134-I193 HydrophobicContact CD1-CG1 3.54Å; F134-I193 HydrophobicContact CE1-CG1 4.35Å; F134-I193 HydrophobicContact CG-CG1 4.1Å; M142-I193 HydrophobicContact CG-CG2 4.1Å; M142-I193 HydrophobicContact SD-CG2 3.95Å; I143-I193 HydrophobicContact CB-CD1 3.68Å; I143-I193 HydrophobicContact CG2-CD1 4.16Å; V189-I193 HydrophobicContact CG1-CD1 3.57Å; V189-I193 HydrophobicContact CG1-CG1 4.17Å; V189-I193 WeakPolarHBondContact O-CB 3.41Å; V189-I193 VanDerWaalsContact O-CG1 3.22Å; V189-I193 WeakPolarHBondContact O-CG1 3.43Å; V189-I193 PolarHBondContact O-N 3.21Å; N190-I193 PolarHBondContact O-N 2.96Å; I193-K195 VanDerWaalsContact C-N 3.29Å; I193-K195 PolarHBondContact O-N 2.96Å; I193-Q196 CarbonylContact O-C 3.55Å; I193-Q196 WeakPolarHBondContact O-CA 3.36Å; I193-Q196 WeakPolarHBondContact O-CB 3.43Å; I193-Q196 PolarHBondContact O-N 2.92Å; I193-K197 HydrophobicContact CG2-CD 4.35Å; I193-K197 HydrophobicContact CG2-CG 4.42Å; I193-K197 WeakPolarHBondContact O-CG 3.28Å; I193-K197 PolarHBondContact O-N 3.34Å
194	L	79.4	Confident	73.5	Confident	105 Å²	105	93.7 Å²	93.7	55%	0.55	43%	0.429	S	S	.	.	H	α-helix	trans	-59.5	-42.1	174.1	-71.9	167.2	0	0	0	110.9	N190 E191 Q196 K197 Q198	N190-L194 WeakPolarHBondContact O-CB 3.47Å; N190-L194 VanDerWaalsContact O-CG 3.3Å; N190-L194 WeakPolarHBondContact O-CG 3.37Å; N190-L194 PolarHBondContact O-N 3.17Å; E191-L194 PolarHBondContact O-N 3.48Å; L194-Q196 VanDerWaalsContact C-N 3.27Å; L194-Q196 PolarHBondContact O-N 3.4Å; L194-K197 PolarHBondContact O-N 2.92Å; L194-Q198 WeakPolarHBondContact O-CB 3.35Å; L194-Q198 VanDerWaalsContact O-CG 3.32Å; L194-Q198 WeakPolarHBondContact O-CG 3.4Å; L194-Q198 PolarHBondContact O-N 3.26Å
195	K	80.2	Confident	71.5	Confident	119 Å²	119	96.3 Å²	96.3	52%	0.517	44%	0.443	S	S	.	.	H	α-helix	trans	-74	-13.2	175.6	-160.3	167.2	-170	164.8	0	114.1	E191 L192 I193 R199	E191-K195 VanDerWaalsContact O-CB 3.31Å; E191-K195 WeakPolarHBondContact O-CB 3.39Å; E191-K195 PolarHBondContact O-N 3.18Å; L192-K195 CarbonylContact O-C 3.56Å; L192-K195 PolarHBondContact O-N 2.94Å; I193-K195 VanDerWaalsContact C-N 3.29Å; I193-K195 PolarHBondContact O-N 2.96Å; K195-R199 PolarHBondContact O-NE 3.06Å
196	Q	74.7	Confident	69.5	Low	48 Å²	48	101.2 Å²	101.2	22%	0.224	46%	0.459	C	S	.	.	H	α-helix	trans	-84.6	-49.3	169.5	-167.5	84.7	-28.5	0	0	109.5	F134 M142 L192 I193 L194 R199 F200	F134-Q196 HydrophobicContact CD2-CG 4.2Å; F134-Q196 HydrophobicContact CE2-CG 4.46Å; M142-Q196 HydrophobicContact CE-CG 4.35Å; L192-Q196 WeakPolarHBondContact O-CB 3.43Å; L192-Q196 PolarHBondContact O-N 2.96Å; I193-Q196 CarbonylContact O-C 3.55Å; I193-Q196 WeakPolarHBondContact O-CA 3.36Å; I193-Q196 WeakPolarHBondContact O-CB 3.43Å; I193-Q196 PolarHBondContact O-N 2.92Å; L194-Q196 VanDerWaalsContact C-N 3.27Å; L194-Q196 PolarHBondContact O-N 3.4Å; Q196-R199 CarbonylContact O-C 3.55Å; Q196-R199 PolarHBondContact O-N 3.2Å; Q196-R199 VanDerWaalsContact O-N 3.16Å; Q196-F200 PolarHBondContact O-N 3.4Å
197	K	72.9	Confident	67.3	Low	70 Å²	70	106.9 Å²	106.9	30%	0.304	49%	0.488	S	S	.	.	H	α-helix	trans	-56.8	-50.5	174.6	-71.1	-172.5	177.8	-172.4	0	110.9	M142 E144 I193 L194 R199 F200 E201	M142-K197 HydrophobicContact SD-CD 4.2Å; M142-K197 VanDerWaalsContact SD-CE 3.51Å; M142-K197 HydrophobicContact SD-CG 3.64Å; E144-K197 IonicContact OE1-NZ 3.62Å; I193-K197 HydrophobicContact CG2-CD 4.35Å; I193-K197 HydrophobicContact CG2-CG 4.42Å; I193-K197 WeakPolarHBondContact O-CG 3.28Å; I193-K197 PolarHBondContact O-N 3.34Å; L194-K197 PolarHBondContact O-N 2.92Å; K197-R199 VanDerWaalsContact C-N 3.32Å; K197-R199 PolarHBondContact O-N 3.31Å; K197-F200 CarbonylContact O-C 3.59Å; K197-F200 WeakPolarHBondContact O-CA 3.48Å; K197-F200 VanDerWaalsContact O-CB 3.28Å; K197-F200 WeakPolarHBondContact O-CB 3.24Å; K197-F200 PolarHBondContact O-N 3.14Å; K197-E201 WeakPolarHBondContact O-CG 3.46Å; K197-E201 PolarHBondContact O-N 3.32Å
198	Q	71.1	Confident	64.8	Low	115 Å²	115	101.6 Å²	101.6	54%	0.537	47%	0.467	S	S	.	.	H	α-helix	trans	-57	-39.4	174.1	-75.3	175.5	-7	0	0	113.3	L194 F200 E201 E202	L194-Q198 WeakPolarHBondContact O-CB 3.35Å; L194-Q198 VanDerWaalsContact O-CG 3.32Å; L194-Q198 WeakPolarHBondContact O-CG 3.4Å; L194-Q198 PolarHBondContact O-N 3.26Å; Q198-F200 VanDerWaalsContact C-N 3.29Å; Q198-F200 PolarHBondContact O-N 3.38Å; Q198-E201 PolarHBondContact O-N 2.95Å; Q198-E202 WeakPolarHBondContact O-CB 3.46Å; Q198-E202 WeakPolarHBondContact O-CG 3.46Å; Q198-E202 PolarHBondContact O-N 2.79Å
199	R	67.6	Low	62.8	Low	128 Å²	128	103.6 Å²	103.6	48%	0.483	47%	0.473	S	S	.	.	H	α-helix	trans	-74.5	-18.1	175.3	-82.5	-176.2	-69	171.4	2.7	113.5	K195 Q196 K197 K203	K195-R199 PolarHBondContact O-NE 3.06Å; Q196-R199 CarbonylContact O-C 3.55Å; Q196-R199 PolarHBondContact O-N 3.2Å; Q196-R199 VanDerWaalsContact O-N 3.16Å; K197-R199 VanDerWaalsContact C-N 3.32Å; K197-R199 PolarHBondContact O-N 3.31Å; R199-K203 WeakPolarHBondContact O-CD 3.42Å; R199-K203 VanDerWaalsContact O-CG 3.26Å; R199-K203 WeakPolarHBondContact O-CG 3.23Å; R199-K203 PolarHBondContact O-N 3.48Å
200	F	61	Low	60.7	Low	148 Å²	148	108.1 Å²	108.1	65%	0.649	51%	0.506	S	S	*	.	H	α-helix	trans	-80.6	-42.8	170.7	-141.8	-86.5	0	0	0	110.7	Q196 K197 Q198 K203 R204	Q196-F200 PolarHBondContact O-N 3.4Å; K197-F200 CarbonylContact O-C 3.59Å; K197-F200 WeakPolarHBondContact O-CA 3.48Å; K197-F200 VanDerWaalsContact O-CB 3.28Å; K197-F200 WeakPolarHBondContact O-CB 3.24Å; K197-F200 PolarHBondContact O-N 3.14Å; Q198-F200 VanDerWaalsContact C-N 3.29Å; Q198-F200 PolarHBondContact O-N 3.38Å; F200-K203 WeakPolarHBondContact O-CB 3.43Å; F200-K203 PolarHBondContact O-N 3.15Å; F200-R204 PolarHBondContact O-N 3.05Å
201	E	54.8	Low	58.8	Low	107 Å²	107	112.8 Å²	112.8	50%	0.5	53%	0.531	S	S	.	.	H	α-helix	trans	-63.2	-45.2	173.4	-69.4	164.4	168.9	0	0	111.6	K197 Q198 K203 R204 F205	K197-E201 WeakPolarHBondContact O-CG 3.46Å; K197-E201 PolarHBondContact O-N 3.32Å; Q198-E201 PolarHBondContact O-N 2.95Å; E201-K203 VanDerWaalsContact C-N 3.26Å; E201-K203 PolarHBondContact O-N 2.96Å; E201-R204 WeakPolarHBondContact O-CA 3.48Å; E201-R204 WeakPolarHBondContact O-CB 3.4Å; E201-R204 PolarHBondContact O-N 3.33Å; E201-R204 VanDerWaalsContact O-N 3.07Å; E201-F205 WeakPolarHBondContact O-CD2 3.5Å; E201-F205 PolarHBondContact O-N 3.28Å
202	E	50.9	Low	57	Low	99 Å²	99	107.1 Å²	107.1	46%	0.463	51%	0.509	S	S	.	.	H	α-helix	trans	-57.5	-37.9	171.8	-85.5	-168	-146.5	0	0	112.3	Q198 K206	Q198-E202 WeakPolarHBondContact O-CB 3.46Å; Q198-E202 WeakPolarHBondContact O-CG 3.46Å; Q198-E202 PolarHBondContact O-N 2.79Å; E202-K206 VanDerWaalsContact O-CB 3.23Å; E202-K206 WeakPolarHBondContact O-CB 3.43Å; E202-K206 VanDerWaalsContact O-CD 3.25Å; E202-K206 WeakPolarHBondContact O-CD 3.34Å; E202-K206 WeakPolarHBondContact O-CG 3.21Å; E202-K206 PolarHBondContact O-N 3.37Å; E202-K206 IonicContact OE2-NZ 3.6Å; E202-K206 PolarHBondContact OE2-NZ 3.33Å
203	K	52.1	Low	55.5	Low	152 Å²	152	111.3 Å²	111.3	66%	0.661	53%	0.526	S	S	*	.	H	α-helix	trans	-69.2	-37.7	175.1	-78.6	173.1	177.8	-176.3	0	111.7	R199 F200 E201 K206	R199-K203 WeakPolarHBondContact O-CD 3.42Å; R199-K203 VanDerWaalsContact O-CG 3.26Å; R199-K203 WeakPolarHBondContact O-CG 3.23Å; R199-K203 PolarHBondContact O-N 3.48Å; F200-K203 WeakPolarHBondContact O-CB 3.43Å; F200-K203 PolarHBondContact O-N 3.15Å; E201-K203 VanDerWaalsContact C-N 3.26Å; E201-K203 PolarHBondContact O-N 2.96Å; K203-K206 PolarHBondContact O-N 3.13Å
204	R	46.9	Very low	54.1	Low	147 Å²	147	118.4 Å²	118.4	56%	0.555	55%	0.553	S	S	*	*	H	α-helix	trans	-63	-52.9	175.5	-159.7	170.4	-179.4	173.7	-3.7	110	F200 E201 K206 L207 D220	F200-R204 PolarHBondContact O-N 3.05Å; E201-R204 WeakPolarHBondContact O-CA 3.48Å; E201-R204 WeakPolarHBondContact O-CB 3.4Å; E201-R204 PolarHBondContact O-N 3.33Å; E201-R204 VanDerWaalsContact O-N 3.07Å; R204-K206 VanDerWaalsContact C-N 3.33Å; R204-K206 PolarHBondContact O-N 3.16Å; R204-L207 WeakPolarHBondContact O-CB 3.41Å; R204-L207 PolarHBondContact O-N 3.02Å; R204-L207 VanDerWaalsContact O-N 3.13Å; R204-D220 IonicContact NH2-OD1 3.47Å
205	F	42.5	Very low	52.7	Low	161 Å²	161	117.4 Å²	117.4	71%	0.706	54%	0.542	S	S	*	.	H	α-helix	trans	-64.2	-28.2	176.6	-87.5	-76.8	0	0	0	114.7	E201 L207 D208	E201-F205 WeakPolarHBondContact O-CD2 3.5Å; E201-F205 PolarHBondContact O-N 3.28Å; F205-L207 PolarHBondContact O-N 3.39Å; F205-D208 PolarHBondContact O-N 3.3Å
206	K	41.1	Very low	51.5	Low	154 Å²	154	114.3 Å²	114.3	67%	0.67	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-3.8	176	-74.9	164.9	-172.9	167.6	0	113.9	E202 K203 R204	E202-K206 VanDerWaalsContact O-CB 3.23Å; E202-K206 WeakPolarHBondContact O-CB 3.43Å; E202-K206 VanDerWaalsContact O-CD 3.25Å; E202-K206 WeakPolarHBondContact O-CD 3.34Å; E202-K206 WeakPolarHBondContact O-CG 3.21Å; E202-K206 PolarHBondContact O-N 3.37Å; E202-K206 IonicContact OE2-NZ 3.6Å; E202-K206 PolarHBondContact OE2-NZ 3.33Å; K203-K206 PolarHBondContact O-N 3.13Å; R204-K206 VanDerWaalsContact C-N 3.33Å; R204-K206 PolarHBondContact O-N 3.16Å
207	L	40	Very low	50.7	Low	136 Å²	136	115.8 Å²	115.8	71%	0.712	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-23.4	172.6	-149.2	76.4	0	0	0	112.8	R204 F205	R204-L207 WeakPolarHBondContact O-CB 3.41Å; R204-L207 PolarHBondContact O-N 3.02Å; R204-L207 VanDerWaalsContact O-N 3.13Å; F205-L207 PolarHBondContact O-N 3.39Å
208	D	34.6	Very low	49.9	Very low	44 Å²	44	113.4 Å²	113.4	24%	0.235	53%	0.527	C	S	.	.			trans	-84.7	127.1	-176.5	-77.2	-44.5	0	0	0	113	F205 Q216	F205-D208 PolarHBondContact O-N 3.3Å; D208-Q216 PolarHBondContact OD2-NE2 2.61Å
209	H	37.7	Very low	49.1	Very low	166 Å²	166	112.1 Å²	112.1	77%	0.769	52%	0.521	S	S	*	.	S	Bend	trans	-162.6	158.8	130.7	-110.1	68	0	0	0	111.9	N211	H209-N211 PolarHBondContact O-N 2.99Å
210	S	39	Very low	48.7	Very low	122 Å²	122	109.6 Å²	109.6	85%	0.853	52%	0.518	S	S	*	.	S	Bend	trans	55.8	-22.7	172.4	69.2	0	0	0	0	121.1
211	N	43.3	Very low	48.5	Very low	135 Å²	135	106.1 Å²	106.1	72%	0.722	50%	0.5	S	S	*	.	S	Bend	trans	-130.3	-0.1	172.9	-101.1	-6.2	0	0	0	114.5	H209 H213	H209-N211 PolarHBondContact O-N 2.99Å; N211-H213 PolarHBondContact O-N 3.48Å
212	G	45.7	Very low	48.7	Very low	17 Å²	17	106.8 Å²	106.8	18%	0.175	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-34	-173.6	0	0	0	0	0	115.2	R214 W215 Q216	G212-R214 VanDerWaalsContact C-N 3.3Å; G212-R214 PolarHBondContact O-N 2.84Å; G212-W215 CarbonylContact O-C 3.55Å; G212-W215 WeakPolarHBondContact O-CA 3.23Å; G212-W215 PolarHBondContact O-N 3.07Å; G212-Q216 PolarHBondContact O-N 2.91Å
213	H	49.6	Very low	48.9	Very low	160 Å²	160	105.4 Å²	105.4	74%	0.741	52%	0.519	S	S	*	.	H	α-helix	trans	-55.5	-32.5	-168.6	-113	-58	0	0	0	116.2	N211 I217	N211-H213 PolarHBondContact O-N 3.48Å; H213-I217 WeakPolarHBondContact O-CG1 3.12Å
214	R	51.7	Low	48.9	Very low	153 Å²	153	102.4 Å²	102.4	58%	0.577	51%	0.513	S	S	*	.	H	α-helix	trans	-82.1	-24.2	174.7	-79.2	-178.1	168.5	-155.6	-3.9	113.2	G212 L240	G212-R214 VanDerWaalsContact C-N 3.3Å; G212-R214 PolarHBondContact O-N 2.84Å; R214-L240 HydrophobicContact CB-CD2 4.04Å
215	W	48.6	Very low	49	Very low	84 Å²	84	101.6 Å²	101.6	32%	0.318	52%	0.52	S	S	.	.	H	α-helix	trans	-87.3	-25.1	178.9	-158.7	-111.3	0	0	0	112.4	G212 F218 Q219 L240 L241	G212-W215 CarbonylContact O-C 3.55Å; G212-W215 WeakPolarHBondContact O-CA 3.23Å; G212-W215 PolarHBondContact O-N 3.07Å; W215-F218 HydrophobicContact CD2-CB 4.5Å; W215-F218 HydrophobicContact CD2-CD1 4.38Å; W215-F218 HydrophobicContact CD2-CG 4.49Å; W215-F218 HydrophobicContact CE3-CB 4.13Å; W215-F218 HydrophobicContact CE3-CD1 4.23Å; W215-F218 HydrophobicContact CE3-CD2 4.31Å; W215-F218 AromaticContact CE3-CG 4Å; W215-F218 HydrophobicContact CE3-CG 4Å; W215-F218 AromaticContact CH2-CD1 3.8Å; W215-F218 HydrophobicContact CH2-CD1 3.8Å; W215-F218 HydrophobicContact CH2-CD2 4.23Å; W215-F218 AromaticContact CH2-CE1 3.58Å; W215-F218 HydrophobicContact CH2-CE1 3.58Å; W215-F218 HydrophobicContact CH2-CE2 4.01Å; W215-F218 HydrophobicContact CH2-CG 4.14Å; W215-F218 AromaticContact CH2-CZ 3.7Å; W215-F218 HydrophobicContact CH2-CZ 3.7Å; W215-F218 AromaticContact CZ2-CD1 3.97Å; W215-F218 HydrophobicContact CZ2-CD1 3.97Å; W215-F218 AromaticContact CZ2-CE1 3.86Å; W215-F218 HydrophobicContact CZ2-CE1 3.86Å; W215-F218 HydrophobicContact CZ2-CZ 4.42Å; W215-F218 HydrophobicContact CZ3-CB 4.43Å; W215-F218 AromaticContact CZ3-CD1 3.94Å; W215-F218 HydrophobicContact CZ3-CD1 3.94Å; W215-F218 AromaticContact CZ3-CD2 3.79Å; W215-F218 HydrophobicContact CZ3-CD2 3.79Å; W215-F218 HydrophobicContact CZ3-CE1 4.1Å; W215-F218 AromaticContact CZ3-CE2 3.92Å; W215-F218 HydrophobicContact CZ3-CE2 3.92Å; W215-F218 AromaticContact CZ3-CG 3.81Å; W215-F218 HydrophobicContact CZ3-CG 3.81Å; W215-F218 HydrophobicContact CZ3-CZ 4.09Å; W215-F218 WeakPolarHBondContact O-CB 3.45Å; W215-F218 PolarHBondContact O-N 3.24Å; W215-Q219 WeakPolarHBondContact O-CG 3.25Å; W215-Q219 PolarHBondContact O-N 3.3Å; W215-L240 HydrophobicContact CZ3-CB 4.35Å; W215-L241 HydrophobicContact CH2-CD2 3.96Å
216	Q	55.5	Low	49.6	Very low	54 Å²	54	102.5 Å²	102.5	25%	0.252	53%	0.526	S	S	.	.	H	α-helix	trans	-61.8	-49.8	166.2	-98.3	152	-21.2	0	0	111.7	D208 G212 F218 Q219 D220	D208-Q216 PolarHBondContact OD2-NE2 2.61Å; G212-Q216 PolarHBondContact O-N 2.91Å; Q216-F218 PolarHBondContact O-N 3.33Å; Q216-Q219 CarbonylContact O-C 3.59Å; Q216-Q219 PolarHBondContact O-N 3.48Å; Q216-D220 VanDerWaalsContact O-CG 3.29Å; Q216-D220 PolarHBondContact O-N 3.31Å
217	I	58	Low	50.2	Low	80 Å²	80	102.4 Å²	102.4	41%	0.41	53%	0.534	S	S	.	.	H	α-helix	trans	-53.5	-42.5	175.1	-62.8	165.9	0	0	0	111.2	H213 W221	H213-I217 WeakPolarHBondContact O-CG1 3.12Å; I217-W221 HydrophobicContact CG2-CD2 4.11Å; I217-W221 HydrophobicContact CG2-CE3 4.45Å; I217-W221 HydrophobicContact CG2-CH2 4.38Å; I217-W221 HydrophobicContact CG2-CZ2 4.03Å; I217-W221 WeakPolarHBondContact O-CB 3.4Å; I217-W221 VanDerWaalsContact O-CG 3.32Å; I217-W221 PolarHBondContact O-N 3.3Å
218	F	55.1	Low	50.9	Low	20 Å²	20	102.5 Å²	102.5	9%	0.088	54%	0.535	C	S	.	.	H	α-helix	trans	-63.6	-40.3	175.8	-177.7	-78.6	0	0	0	113.1	W215 Q216 L222 M237 L240 L241	W215-F218 HydrophobicContact CD2-CB 4.5Å; W215-F218 HydrophobicContact CD2-CD1 4.38Å; W215-F218 HydrophobicContact CD2-CG 4.49Å; W215-F218 HydrophobicContact CE3-CB 4.13Å; W215-F218 HydrophobicContact CE3-CD1 4.23Å; W215-F218 HydrophobicContact CE3-CD2 4.31Å; W215-F218 AromaticContact CE3-CG 4Å; W215-F218 HydrophobicContact CE3-CG 4Å; W215-F218 AromaticContact CH2-CD1 3.8Å; W215-F218 HydrophobicContact CH2-CD1 3.8Å; W215-F218 HydrophobicContact CH2-CD2 4.23Å; W215-F218 AromaticContact CH2-CE1 3.58Å; W215-F218 HydrophobicContact CH2-CE1 3.58Å; W215-F218 HydrophobicContact CH2-CE2 4.01Å; W215-F218 HydrophobicContact CH2-CG 4.14Å; W215-F218 AromaticContact CH2-CZ 3.7Å; W215-F218 HydrophobicContact CH2-CZ 3.7Å; W215-F218 AromaticContact CZ2-CD1 3.97Å; W215-F218 HydrophobicContact CZ2-CD1 3.97Å; W215-F218 AromaticContact CZ2-CE1 3.86Å; W215-F218 HydrophobicContact CZ2-CE1 3.86Å; W215-F218 HydrophobicContact CZ2-CZ 4.42Å; W215-F218 HydrophobicContact CZ3-CB 4.43Å; W215-F218 AromaticContact CZ3-CD1 3.94Å; W215-F218 HydrophobicContact CZ3-CD1 3.94Å; W215-F218 AromaticContact CZ3-CD2 3.79Å; W215-F218 HydrophobicContact CZ3-CD2 3.79Å; W215-F218 HydrophobicContact CZ3-CE1 4.1Å; W215-F218 AromaticContact CZ3-CE2 3.92Å; W215-F218 HydrophobicContact CZ3-CE2 3.92Å; W215-F218 AromaticContact CZ3-CG 3.81Å; W215-F218 HydrophobicContact CZ3-CG 3.81Å; W215-F218 HydrophobicContact CZ3-CZ 4.09Å; W215-F218 WeakPolarHBondContact O-CB 3.45Å; W215-F218 PolarHBondContact O-N 3.24Å; Q216-F218 PolarHBondContact O-N 3.33Å; F218-L222 HydrophobicContact CD1-CD1 3.86Å; F218-L222 HydrophobicContact CE1-CD1 3.48Å; F218-L222 VanDerWaalsContact CE1-CD1 3.48Å; F218-L222 HydrophobicContact CZ-CD1 4.28Å; F218-L222 WeakPolarHBondContact O-CG 3.21Å; F218-L222 PolarHBondContact O-N 3.1Å; F218-M237 HydrophobicContact CD2-CB 4.11Å; F218-M237 HydrophobicContact CD2-CG 4.27Å; F218-M237 HydrophobicContact CD2-SD 4.37Å; F218-M237 HydrophobicContact CE2-CB 3.93Å; F218-M237 HydrophobicContact CE2-CG 3.58Å; F218-M237 HydrophobicContact CE2-SD 3.66Å; F218-M237 HydrophobicContact CZ-CG 4.34Å; F218-M237 HydrophobicContact CZ-SD 3.94Å; F218-L240 HydrophobicContact CD2-CD1 4.42Å; F218-L241 HydrophobicContact CE2-CD1 4.02Å; F218-L241 HydrophobicContact CE2-CD2 4.22Å; F218-L241 HydrophobicContact CE2-CG 3.81Å; F218-L241 HydrophobicContact CZ-CD1 4.08Å; F218-L241 HydrophobicContact CZ-CD2 3.92Å; F218-L241 HydrophobicContact CZ-CG 3.97Å
219	Q	55.9	Low	52.4	Low	88 Å²	88	104.1 Å²	104.1	41%	0.411	54%	0.543	S	S	.	.	H	α-helix	trans	-74.3	-36.5	177.7	-74.8	-174.8	-25.2	0	0	112.9	W215 Q216 L222 G223	W215-Q219 WeakPolarHBondContact O-CG 3.25Å; W215-Q219 PolarHBondContact O-N 3.3Å; Q216-Q219 CarbonylContact O-C 3.59Å; Q216-Q219 PolarHBondContact O-N 3.48Å; Q219-L222 PolarHBondContact O-N 3Å; Q219-G223 PolarHBondContact O-N 3.2Å
220	D	58.2	Low	54.2	Low	75 Å²	75	100.1 Å²	100.1	40%	0.401	53%	0.527	S	S	.	.	H	α-helix	trans	-71.4	-37.1	179.2	-62.5	-30.6	0	0	0	110.4	R204 Q216 L222 G223 T224	R204-D220 IonicContact NH2-OD1 3.47Å; Q216-D220 VanDerWaalsContact O-CG 3.29Å; Q216-D220 PolarHBondContact O-N 3.31Å; D220-L222 VanDerWaalsContact C-N 3.3Å; D220-L222 PolarHBondContact O-N 3.31Å; D220-G223 CarbonylContact O-C 3.51Å; D220-G223 PolarHBondContact O-N 2.98Å; D220-T224 PolarHBondContact O-N 3.15Å; D220-T224 VanDerWaalsContact O-N 3.16Å; D220-T224 PolarHBondContact O-OG1 2.94Å
221	W	58.1	Low	55.9	Low	75 Å²	75	100.5 Å²	100.5	28%	0.284	52%	0.519	S	S	.	.	H	α-helix	trans	-63.6	-28.6	170.2	-76.5	-8	0	0	0	114.4	I217 G223 N233 L236	I217-W221 HydrophobicContact CG2-CD2 4.11Å; I217-W221 HydrophobicContact CG2-CE3 4.45Å; I217-W221 HydrophobicContact CG2-CH2 4.38Å; I217-W221 HydrophobicContact CG2-CZ2 4.03Å; I217-W221 WeakPolarHBondContact O-CB 3.4Å; I217-W221 VanDerWaalsContact O-CG 3.32Å; I217-W221 PolarHBondContact O-N 3.3Å; W221-G223 VanDerWaalsContact C-N 3.28Å; W221-N233 HydrophobicContact CE3-CB 4.06Å; W221-N233 HydrophobicContact CH2-CB 3.48Å; W221-N233 VanDerWaalsContact CH2-CB 3.48Å; W221-N233 WeakPolarHBondContact CH2-OD1 3.38Å; W221-N233 HydrophobicContact CZ2-CB 4.04Å; W221-N233 WeakPolarHBondContact CZ2-OD1 3.42Å; W221-N233 HydrophobicContact CZ3-CB 3.5Å; W221-N233 WeakPolarHBondContact CZ3-O 3.43Å; W221-L236 HydrophobicContact CH2-CD2 3.89Å; W221-L236 HydrophobicContact CZ3-CD2 4.16Å
222	L	57.9	Low	57.6	Low	120 Å²	120	97.1 Å²	97.1	63%	0.628	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-9.9	172.4	-75.7	168.4	0	0	0	113.1	F218 Q219 D220	F218-L222 HydrophobicContact CD1-CD1 3.86Å; F218-L222 HydrophobicContact CE1-CD1 3.48Å; F218-L222 VanDerWaalsContact CE1-CD1 3.48Å; F218-L222 HydrophobicContact CZ-CD1 4.28Å; F218-L222 WeakPolarHBondContact O-CG 3.21Å; F218-L222 PolarHBondContact O-N 3.1Å; Q219-L222 PolarHBondContact O-N 3Å; D220-L222 VanDerWaalsContact C-N 3.3Å; D220-L222 PolarHBondContact O-N 3.31Å
223	G	56.3	Low	59	Low	71 Å²	71	98 Å²	98	73%	0.732	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-4.9	179.2	0	0	0	0	0	115	Q219 D220 W221	Q219-G223 PolarHBondContact O-N 3.2Å; D220-G223 CarbonylContact O-C 3.51Å; D220-G223 PolarHBondContact O-N 2.98Å; W221-G223 VanDerWaalsContact C-N 3.28Å
224	T	51.1	Low	60.4	Low	88 Å²	88	92.7 Å²	92.7	54%	0.54	49%	0.489	S	S	.	.	S	Bend	trans	-105.1	154.2	174.7	50.9	0	0	0	0	111.5	D220	D220-T224 PolarHBondContact O-N 3.15Å; D220-T224 VanDerWaalsContact O-N 3.16Å; D220-T224 PolarHBondContact O-OG1 2.94Å
225	D	49.2	Very low	61.8	Low	131 Å²	131	89.6 Å²	89.6	70%	0.701	48%	0.484	S	S	*	.			trans	-51.3	136.2	-171.2	-59.3	-63.1	0	0	0	114.2	D227	D225-D227 PolarHBondContact O-N 3.23Å
226	Q	54.4	Low	63.3	Low	179 Å²	179	88.7 Å²	88.7	84%	0.836	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-62.3	-19.3	-170.6	-63.6	-178.2	-2.7	0	0	113.9	N228	Q226-N228 PolarHBondContact O-N 2.72Å; Q226-N228 VanDerWaalsContact O-N 3.15Å
227	D	53.9	Low	64.2	Low	153 Å²	153	88.2 Å²	88.2	82%	0.818	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-68.7	-9.2	-174.1	-63.8	-31.5	0	0	0	114.9	D225	D225-D227 PolarHBondContact O-N 3.23Å
228	N	54.8	Low	65.4	Low	138 Å²	138	88.8 Å²	88.8	74%	0.738	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-115.5	19	-176.6	-75.4	-67.1	0	0	0	115.2	Q226 D230	Q226-N228 PolarHBondContact O-N 2.72Å; Q226-N228 VanDerWaalsContact O-N 3.15Å; N228-D230 PolarHBondContact O-N 3.4Å
229	L	65.4	Low	66.7	Low	78 Å²	78	94 Å²	94	41%	0.408	51%	0.511	S	S	.	.			trans	-80.2	98.3	174.9	-113.2	70.5	0	0	0	112.3	V234 M237	L229-V234 HydrophobicContact CD2-CG2 4.15Å; L229-M237 HydrophobicContact CD2-CE 4.27Å
230	D	76.8	Confident	68	Low	81 Å²	81	90.5 Å²	90.5	43%	0.433	50%	0.496	S	S	.	.			trans	-76.3	163.5	171.5	82.6	52.3	0	0	0	113.7	N228 A232 N233 V234	N228-D230 PolarHBondContact O-N 3.4Å; D230-A232 VanDerWaalsContact C-N 3.33Å; D230-A232 PolarHBondContact O-N 2.96Å; D230-A232 VanDerWaalsContact OD1-CA 3.32Å; D230-A232 WeakPolarHBondContact OD1-CA 3.43Å; D230-A232 VanDerWaalsContact OD1-CB 3.29Å; D230-A232 WeakPolarHBondContact OD1-CB 3.26Å; D230-A232 PolarHBondContact OD1-N 2.98Å; D230-N233 WeakPolarHBondContact O-CB 3.19Å; D230-N233 PolarHBondContact O-N 2.75Å; D230-N233 PolarHBondContact OD1-N 2.63Å; D230-N233 PolarHBondContact OD2-ND2 2.99Å; D230-V234 PolarHBondContact O-N 3.32Å; D230-V234 VanDerWaalsContact O-N 3.08Å
231	L	75.1	Confident	68.9	Low	130 Å²	130	90.4 Å²	90.4	68%	0.681	50%	0.495	S	S	*	.	H	α-helix	trans	-67.4	-27.8	-176.1	-177.5	60.8	0	0	0	113.6	N235	L231-N235 WeakPolarHBondContact O-CB 3.45Å; L231-N235 PolarHBondContact O-N 3.41Å; L231-N235 VanDerWaalsContact O-N 3.11Å; L231-N235 PolarHBondContact O-ND2 3.48Å
232	A	77.3	Confident	70.2	Confident	65 Å²	65	90.2 Å²	90.2	54%	0.537	50%	0.502	S	S	.	.	H	α-helix	trans	-72.3	-38	174.1	0	0	0	0	0	110.7	D230 N235 L236	D230-A232 VanDerWaalsContact C-N 3.33Å; D230-A232 PolarHBondContact O-N 2.96Å; D230-A232 VanDerWaalsContact OD1-CA 3.32Å; D230-A232 WeakPolarHBondContact OD1-CA 3.43Å; D230-A232 VanDerWaalsContact OD1-CB 3.29Å; D230-A232 WeakPolarHBondContact OD1-CB 3.26Å; D230-A232 PolarHBondContact OD1-N 2.98Å; A232-N235 PolarHBondContact O-N 3.4Å; A232-L236 WeakPolarHBondContact O-CB 3.21Å; A232-L236 PolarHBondContact O-N 2.86Å
233	N	76.8	Confident	71.4	Confident	35 Å²	35	90 Å²	90	19%	0.187	50%	0.497	C	S	.	.	H	α-helix	trans	-63.6	-44.5	175.7	-60.6	-20.5	0	0	0	111.2	W221 D230 N235 L236 M237	W221-N233 HydrophobicContact CE3-CB 4.06Å; W221-N233 HydrophobicContact CH2-CB 3.48Å; W221-N233 VanDerWaalsContact CH2-CB 3.48Å; W221-N233 WeakPolarHBondContact CH2-OD1 3.38Å; W221-N233 HydrophobicContact CZ2-CB 4.04Å; W221-N233 WeakPolarHBondContact CZ2-OD1 3.42Å; W221-N233 HydrophobicContact CZ3-CB 3.5Å; W221-N233 WeakPolarHBondContact CZ3-O 3.43Å; D230-N233 WeakPolarHBondContact O-CB 3.19Å; D230-N233 PolarHBondContact O-N 2.75Å; D230-N233 PolarHBondContact OD1-N 2.63Å; D230-N233 PolarHBondContact OD2-ND2 2.99Å; N233-N235 PolarHBondContact O-N 3.06Å; N233-L236 PolarHBondContact O-N 3.31Å; N233-M237 WeakPolarHBondContact O-CB 3.46Å; N233-M237 PolarHBondContact O-N 3.15Å
234	V	77.5	Confident	72.6	Confident	48 Å²	48	90.2 Å²	90.2	29%	0.291	48%	0.478	S	S	.	.	H	α-helix	trans	-60.6	-43.8	173.4	174.4	0	0	0	0	111.9	L229 D230 M237 L238	L229-V234 HydrophobicContact CD2-CG2 4.15Å; D230-V234 PolarHBondContact O-N 3.32Å; D230-V234 VanDerWaalsContact O-N 3.08Å; V234-M237 WeakPolarHBondContact O-CB 3.44Å; V234-M237 PolarHBondContact O-N 3.08Å; V234-L238 HydrophobicContact CG1-CD1 4.19Å; V234-L238 WeakPolarHBondContact O-CG 3.38Å; V234-L238 PolarHBondContact O-N 3.37Å
235	N	81.2	Confident	74.1	Confident	89 Å²	89	92.1 Å²	92.1	48%	0.476	48%	0.479	S	S	.	.	H	α-helix	trans	-66.3	-38.6	177.7	-80.1	-57.9	0	0	0	112.8	L231 A232 N233 L238 E239	L231-N235 WeakPolarHBondContact O-CB 3.45Å; L231-N235 PolarHBondContact O-N 3.41Å; L231-N235 VanDerWaalsContact O-N 3.11Å; L231-N235 PolarHBondContact O-ND2 3.48Å; A232-N235 PolarHBondContact O-N 3.4Å; N233-N235 PolarHBondContact O-N 3.06Å; N235-L238 PolarHBondContact O-N 2.81Å; N235-E239 PolarHBondContact O-N 2.91Å
236	L	81.8	Confident	75.6	Confident	65 Å²	65	92.3 Å²	92.3	34%	0.34	47%	0.474	S	S	.	.	H	α-helix	trans	-64.7	-41	173.6	-177.2	65.1	0	0	0	111.4	W221 A232 N233 E239 L240	W221-L236 HydrophobicContact CH2-CD2 3.89Å; W221-L236 HydrophobicContact CZ3-CD2 4.16Å; A232-L236 WeakPolarHBondContact O-CB 3.21Å; A232-L236 PolarHBondContact O-N 2.86Å; N233-L236 PolarHBondContact O-N 3.31Å; L236-E239 PolarHBondContact O-N 3.07Å; L236-L240 HydrophobicContact CG-CD1 4.24Å; L236-L240 WeakPolarHBondContact O-CB 3.42Å; L236-L240 VanDerWaalsContact O-CG 3.28Å; L236-L240 WeakPolarHBondContact O-CG 3.29Å; L236-L240 PolarHBondContact O-N 2.82Å
237	M	74.1	Confident	76.9	Confident	44 Å²	44	87.1 Å²	87.1	22%	0.217	45%	0.45	C	S	.	.	H	α-helix	trans	-58.5	-45.5	172.5	146.7	148.2	92.3	0	0	111.3	F218 L229 N233 V234 L240 L241	F218-M237 HydrophobicContact CD2-CB 4.11Å; F218-M237 HydrophobicContact CD2-CG 4.27Å; F218-M237 HydrophobicContact CD2-SD 4.37Å; F218-M237 HydrophobicContact CE2-CB 3.93Å; F218-M237 HydrophobicContact CE2-CG 3.58Å; F218-M237 HydrophobicContact CE2-SD 3.66Å; F218-M237 HydrophobicContact CZ-CG 4.34Å; F218-M237 HydrophobicContact CZ-SD 3.94Å; L229-M237 HydrophobicContact CD2-CE 4.27Å; N233-M237 WeakPolarHBondContact O-CB 3.46Å; N233-M237 PolarHBondContact O-N 3.15Å; V234-M237 WeakPolarHBondContact O-CB 3.44Å; V234-M237 PolarHBondContact O-N 3.08Å; M237-L240 PolarHBondContact O-N 2.76Å; M237-L241 HydrophobicContact CG-CD1 3.97Å; M237-L241 WeakPolarHBondContact O-CB 3.26Å; M237-L241 VanDerWaalsContact O-CG 3.29Å; M237-L241 WeakPolarHBondContact O-CG 3.45Å; M237-L241 PolarHBondContact O-N 2.99Å
238	L	82	Confident	77.9	Confident	92 Å²	92	83.5 Å²	83.5	48%	0.482	43%	0.43	S	S	.	.	H	α-helix	trans	-62.7	-42.9	175.2	-75.6	165.2	0	0	0	112.1	V234 N235 L241 V242	V234-L238 HydrophobicContact CG1-CD1 4.19Å; V234-L238 WeakPolarHBondContact O-CG 3.38Å; V234-L238 PolarHBondContact O-N 3.37Å; N235-L238 PolarHBondContact O-N 2.81Å; L238-L241 PolarHBondContact O-N 2.93Å; L238-V242 WeakPolarHBondContact O-CB 3.43Å; L238-V242 VanDerWaalsContact O-CG2 3.32Å; L238-V242 WeakPolarHBondContact O-CG2 3.42Å; L238-V242 PolarHBondContact O-N 2.88Å
239	E	83.9	Confident	79.1	Confident	128 Å²	128	81.7 Å²	81.7	60%	0.598	42%	0.417	S	S	*	.	H	α-helix	trans	-63.8	-43.6	176.9	-171	179	-160.8	0	0	111.8	N235 L236 L241 V242 Q243	N235-E239 PolarHBondContact O-N 2.91Å; L236-E239 PolarHBondContact O-N 3.07Å; E239-L241 PolarHBondContact O-N 2.93Å; E239-V242 PolarHBondContact O-N 3.31Å; E239-Q243 WeakPolarHBondContact O-CB 3.4Å; E239-Q243 PolarHBondContact O-N 3.18Å
240	L	81.3	Confident	79.7	Confident	15 Å²	15	80.9 Å²	80.9	8%	0.079	42%	0.421	C	S	.	.	H	α-helix	trans	-62.8	-41.1	175.6	-70.9	172.8	0	0	0	111.9	R214 W215 F218 L236 M237 Q243 K244	R214-L240 HydrophobicContact CB-CD2 4.04Å; W215-L240 HydrophobicContact CZ3-CB 4.35Å; F218-L240 HydrophobicContact CD2-CD1 4.42Å; L236-L240 HydrophobicContact CG-CD1 4.24Å; L236-L240 WeakPolarHBondContact O-CB 3.42Å; L236-L240 VanDerWaalsContact O-CG 3.28Å; L236-L240 WeakPolarHBondContact O-CG 3.29Å; L236-L240 PolarHBondContact O-N 2.82Å; M237-L240 PolarHBondContact O-N 2.76Å; L240-Q243 PolarHBondContact O-N 3.19Å; L240-K244 VanDerWaalsContact O-CB 3.27Å; L240-K244 WeakPolarHBondContact O-CB 3.46Å; L240-K244 PolarHBondContact O-N 3.42Å
241	L	78.8	Confident	79.7	Confident	74 Å²	74	79.6 Å²	79.6	39%	0.387	41%	0.412	S	S	.	.	H	α-helix	trans	-64.6	-41.9	174.4	-76.3	165.9	0	0	0	111.9	W215 F218 M237 L238 E239 K244 K245	W215-L241 HydrophobicContact CH2-CD2 3.96Å; F218-L241 HydrophobicContact CE2-CD1 4.02Å; F218-L241 HydrophobicContact CE2-CD2 4.22Å; F218-L241 HydrophobicContact CE2-CG 3.81Å; F218-L241 HydrophobicContact CZ-CD1 4.08Å; F218-L241 HydrophobicContact CZ-CD2 3.92Å; F218-L241 HydrophobicContact CZ-CG 3.97Å; M237-L241 HydrophobicContact CG-CD1 3.97Å; M237-L241 WeakPolarHBondContact O-CB 3.26Å; M237-L241 VanDerWaalsContact O-CG 3.29Å; M237-L241 WeakPolarHBondContact O-CG 3.45Å; M237-L241 PolarHBondContact O-N 2.99Å; L238-L241 PolarHBondContact O-N 2.93Å; E239-L241 PolarHBondContact O-N 2.93Å; L241-K244 PolarHBondContact O-N 2.99Å; L241-K245 VanDerWaalsContact O-CB 3.3Å; L241-K245 WeakPolarHBondContact O-CB 3.45Å; L241-K245 PolarHBondContact O-N 3.46Å
242	V	84.3	Confident	79.7	Confident	71 Å²	71	75.7 Å²	75.7	43%	0.43	40%	0.396	S	S	.	.	H	α-helix	trans	-66	-39.8	175	168.5	0	0	0	0	111.4	L238 E239 K246	L238-V242 WeakPolarHBondContact O-CB 3.43Å; L238-V242 VanDerWaalsContact O-CG2 3.32Å; L238-V242 WeakPolarHBondContact O-CG2 3.42Å; L238-V242 PolarHBondContact O-N 2.88Å; E239-V242 PolarHBondContact O-N 3.31Å; V242-K246 HydrophobicContact CG1-CD 4.26Å; V242-K246 WeakPolarHBondContact O-CB 3.15Å; V242-K246 WeakPolarHBondContact O-CG 3.28Å; V242-K246 PolarHBondContact O-N 3.17Å
243	Q	84.3	Confident	79.7	Confident	114 Å²	114	77 Å²	77	53%	0.533	39%	0.391	S	S	.	.	H	α-helix	trans	-64.7	-42	174.1	-170.5	178.9	16	0	0	111	E239 L240 K246 Q247	E239-Q243 WeakPolarHBondContact O-CB 3.4Å; E239-Q243 PolarHBondContact O-N 3.18Å; L240-Q243 PolarHBondContact O-N 3.19Å; Q243-K246 PolarHBondContact O-N 2.95Å; Q243-Q247 PolarHBondContact O-N 2.95Å
244	K	80.2	Confident	79.8	Confident	76 Å²	76	77.4 Å²	77.4	33%	0.33	40%	0.4	S	S	.	.	H	α-helix	trans	-68.3	-40	178.3	-167.9	71.4	-159.3	169.3	0	112.1	L240 L241 Q247 L248	L240-K244 VanDerWaalsContact O-CB 3.27Å; L240-K244 WeakPolarHBondContact O-CB 3.46Å; L240-K244 PolarHBondContact O-N 3.42Å; L241-K244 PolarHBondContact O-N 2.99Å; K244-Q247 WeakPolarHBondContact O-CB 3.37Å; K244-Q247 PolarHBondContact O-N 3.25Å; K244-L248 HydrophobicContact CG-CD1 4.3Å; K244-L248 WeakPolarHBondContact O-CG 3.48Å; K244-L248 PolarHBondContact O-N 3.45Å
245	K	82.4	Confident	79.7	Confident	129 Å²	129	75.4 Å²	75.4	56%	0.561	39%	0.388	S	S	*	.	H	α-helix	trans	-56.4	-53.7	170.8	174.2	171.8	173.5	173.2	0	110.6	L241 Q247 L248 E249	L241-K245 VanDerWaalsContact O-CB 3.3Å; L241-K245 WeakPolarHBondContact O-CB 3.45Å; L241-K245 PolarHBondContact O-N 3.46Å; K245-Q247 VanDerWaalsContact C-N 3.28Å; K245-Q247 PolarHBondContact O-N 2.92Å; K245-L248 PolarHBondContact O-N 3.3Å; K245-E249 WeakPolarHBondContact CE-OE1 3.4Å; K245-E249 HydrophobicContact CG-CG 4.31Å; K245-E249 WeakPolarHBondContact CG-OE1 3.34Å; K245-E249 IonicContact NZ-OE1 3.49Å; K245-E249 WeakPolarHBondContact O-CG 3.26Å; K245-E249 PolarHBondContact O-N 3.43Å
246	K	82.3	Confident	79.5	Confident	134 Å²	134	72.1 Å²	72.1	58%	0.583	37%	0.369	S	S	*	.	H	α-helix	trans	-58	-37.1	177.1	-73.3	172.8	179.9	176	0	113.1	V242 Q243 E249 A250	V242-K246 HydrophobicContact CG1-CD 4.26Å; V242-K246 WeakPolarHBondContact O-CB 3.15Å; V242-K246 WeakPolarHBondContact O-CG 3.28Å; V242-K246 PolarHBondContact O-N 3.17Å; Q243-K246 PolarHBondContact O-N 2.95Å; K246-E249 WeakPolarHBondContact CA-OE2 3.47Å; K246-A250 WeakPolarHBondContact O-CB 3.22Å; K246-A250 PolarHBondContact O-N 3.39Å; K246-A250 VanDerWaalsContact O-N 3.07Å
247	Q	80.9	Confident	79.4	Confident	71 Å²	71	72.5 Å²	72.5	33%	0.332	37%	0.372	S	S	.	.	H	α-helix	trans	-62.7	-49.7	172.9	-176	-172.8	0.4	0	0	111.4	Q243 K244 K245 E249 A250 E251	Q243-Q247 PolarHBondContact O-N 2.95Å; K244-Q247 WeakPolarHBondContact O-CB 3.37Å; K244-Q247 PolarHBondContact O-N 3.25Å; K245-Q247 VanDerWaalsContact C-N 3.28Å; K245-Q247 PolarHBondContact O-N 2.92Å; Q247-E249 PolarHBondContact O-N 3.02Å; Q247-A250 PolarHBondContact O-N 3.42Å; Q247-E251 HydrophobicContact CG-CG 4.47Å; Q247-E251 WeakPolarHBondContact CG-OE1 3.41Å; Q247-E251 PolarHBondContact NE2-OE1 3.43Å; Q247-E251 WeakPolarHBondContact O-CB 3.36Å; Q247-E251 WeakPolarHBondContact O-CG 3.45Å; Q247-E251 PolarHBondContact O-N 3.14Å
248	L	75	Confident	79.8	Confident	77 Å²	77	73.4 Å²	73.4	40%	0.403	38%	0.375	S	S	.	.	H	α-helix	trans	-66.8	-35.5	-178	-68.8	169	0	0	0	112.3	K244 K245 S252	K244-L248 HydrophobicContact CG-CD1 4.3Å; K244-L248 WeakPolarHBondContact O-CG 3.48Å; K244-L248 PolarHBondContact O-N 3.45Å; K245-L248 PolarHBondContact O-N 3.3Å; L248-S252 VanDerWaalsContact O-CB 3.26Å; L248-S252 WeakPolarHBondContact O-CB 3.27Å; L248-S252 PolarHBondContact O-N 2.84Å
249	E	80.2	Confident	79.8	Confident	100 Å²	100	69.1 Å²	69.1	47%	0.467	35%	0.353	S	S	.	.	H	α-helix	trans	-61.2	-49.4	171.7	-71.9	168	157.3	0	0	111	K245 K246 Q247 E251 S252 H253	K245-E249 WeakPolarHBondContact CE-OE1 3.4Å; K245-E249 HydrophobicContact CG-CG 4.31Å; K245-E249 WeakPolarHBondContact CG-OE1 3.34Å; K245-E249 IonicContact NZ-OE1 3.49Å; K245-E249 WeakPolarHBondContact O-CG 3.26Å; K245-E249 PolarHBondContact O-N 3.43Å; K246-E249 WeakPolarHBondContact CA-OE2 3.47Å; Q247-E249 PolarHBondContact O-N 3.02Å; E249-E251 PolarHBondContact O-N 2.86Å; E249-S252 PolarHBondContact O-N 2.83Å; E249-H253 WeakPolarHBondContact O-CB 3.43Å; E249-H253 PolarHBondContact O-N 3.08Å
250	A	78.4	Confident	79.7	Confident	60 Å²	60	63.4 Å²	63.4	50%	0.496	33%	0.326	S	S	.	.	H	α-helix	trans	-64.1	-39.6	177.3	0	0	0	0	0	112.9	K246 Q247 A254	K246-A250 WeakPolarHBondContact O-CB 3.22Å; K246-A250 PolarHBondContact O-N 3.39Å; K246-A250 VanDerWaalsContact O-N 3.07Å; Q247-A250 PolarHBondContact O-N 3.42Å; A250-A254 WeakPolarHBondContact O-CB 3.31Å; A250-A254 PolarHBondContact O-N 2.63Å
251	E	76.7	Confident	79.8	Confident	54 Å²	54	67.3 Å²	67.3	25%	0.252	35%	0.345	S	S	.	.	H	α-helix	trans	-66.6	-40.3	175	-75.4	177.6	-167.8	0	0	112	Q247 E249 A254 A255 Y345	Q247-E251 HydrophobicContact CG-CG 4.47Å; Q247-E251 WeakPolarHBondContact CG-OE1 3.41Å; Q247-E251 PolarHBondContact NE2-OE1 3.43Å; Q247-E251 WeakPolarHBondContact O-CB 3.36Å; Q247-E251 WeakPolarHBondContact O-CG 3.45Å; Q247-E251 PolarHBondContact O-N 3.14Å; E249-E251 PolarHBondContact O-N 2.86Å; E251-A254 PolarHBondContact O-N 3.38Å; E251-A255 WeakPolarHBondContact O-CB 3.34Å; E251-A255 PolarHBondContact O-N 3.34Å; E251-Y345 HydrophobicContact CB-CD2 4.38Å
252	S	74.6	Confident	80	Confident	48 Å²	48	66.4 Å²	66.4	34%	0.336	34%	0.339	S	S	.	.	H	α-helix	trans	-65.1	-40.7	175.9	-173.3	0	0	0	0	112.2	L248 E249 A255 Q256 R352	L248-S252 VanDerWaalsContact O-CB 3.26Å; L248-S252 WeakPolarHBondContact O-CB 3.27Å; L248-S252 PolarHBondContact O-N 2.84Å; E249-S252 PolarHBondContact O-N 2.83Å; S252-A255 PolarHBondContact O-N 3.41Å; S252-Q256 WeakPolarHBondContact O-CB 3.38Å; S252-Q256 PolarHBondContact O-N 3.33Å; S252-R352 PolarHBondContact O-NH1 3.29Å; S252-R352 PolarHBondContact OG-NH2 3.22Å
253	H	76.2	Confident	80.1	Confident	92 Å²	92	63 Å²	63	43%	0.426	32%	0.319	S	S	.	.	H	α-helix	trans	-67.7	-42.9	175.6	-177.7	-113.7	0	0	0	112.1	E249 A255 Q256 L257	E249-H253 WeakPolarHBondContact O-CB 3.43Å; E249-H253 PolarHBondContact O-N 3.08Å; H253-A255 VanDerWaalsContact C-N 3.31Å; H253-A255 PolarHBondContact O-N 2.86Å; H253-Q256 WeakPolarHBondContact O-CB 3.32Å; H253-Q256 PolarHBondContact O-N 2.91Å; H253-Q256 VanDerWaalsContact O-N 3.17Å; H253-L257 PolarHBondContact O-N 2.92Å
254	A	79.3	Confident	80.1	Confident	45 Å²	45	59.8 Å²	59.8	37%	0.372	31%	0.305	S	S	.	.	H	α-helix	trans	-60.4	-41.1	173.6	0	0	0	0	0	111.8	A250 E251 Q258	A250-A254 WeakPolarHBondContact O-CB 3.31Å; A250-A254 PolarHBondContact O-N 2.63Å; E251-A254 PolarHBondContact O-N 3.38Å; A254-Q258 WeakPolarHBondContact O-CB 3.28Å; A254-Q258 PolarHBondContact O-N 3.39Å
255	A	76.1	Confident	80.3	Confident	5 Å²	5	61.7 Å²	61.7	4%	0.041	31%	0.313	C	S	.	.	H	α-helix	trans	-64.7	-40.3	173.7	0	0	0	0	0	112.4	E251 S252 H253 Q258 I259 Y345 L349	E251-A255 WeakPolarHBondContact O-CB 3.34Å; E251-A255 PolarHBondContact O-N 3.34Å; S252-A255 PolarHBondContact O-N 3.41Å; H253-A255 VanDerWaalsContact C-N 3.31Å; H253-A255 PolarHBondContact O-N 2.86Å; A255-Q258 PolarHBondContact O-N 2.82Å; A255-I259 VanDerWaalsContact O-CD1 3.26Å; A255-I259 WeakPolarHBondContact O-CD1 3.26Å; A255-I259 WeakPolarHBondContact O-CG1 3.48Å; A255-I259 PolarHBondContact O-N 3.16Å; A255-Y345 HydrophobicContact CB-CE2 4.14Å; A255-L349 HydrophobicContact CB-CD2 3.78Å; A255-L349 HydrophobicContact CB-CG 4Å
256	Q	76.6	Confident	80.5	Confident	20 Å²	20	58.6 Å²	58.6	9%	0.093	31%	0.305	C	S	.	.	H	α-helix	trans	-61.4	-48.3	176.1	-176.5	-170	-7.1	0	0	111.9	S252 H253 Q258 I259 L260 Q389 L392 S393	S252-Q256 WeakPolarHBondContact O-CB 3.38Å; S252-Q256 PolarHBondContact O-N 3.33Å; H253-Q256 WeakPolarHBondContact O-CB 3.32Å; H253-Q256 PolarHBondContact O-N 2.91Å; H253-Q256 VanDerWaalsContact O-N 3.17Å; Q256-Q258 VanDerWaalsContact C-N 3.31Å; Q256-Q258 PolarHBondContact O-N 2.92Å; Q256-I259 PolarHBondContact O-N 3.45Å; Q256-L260 PolarHBondContact O-N 2.84Å; Q256-Q389 VanDerWaalsContact NE2-CG 3.27Å; Q256-Q389 PolarHBondContact NE2-O 3.28Å; Q256-L392 HydrophobicContact CG-CD2 4.31Å; Q256-S393 VanDerWaalsContact NE2-CB 3.3Å; Q256-S393 PolarHBondContact NE2-OG 2.84Å
257	L	79.5	Confident	80.4	Confident	74 Å²	74	52.4 Å²	52.4	39%	0.387	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-38.5	175	-71.2	176.2	0	0	0	112.1	H253 L260 M261	H253-L257 PolarHBondContact O-N 2.92Å; L257-L260 PolarHBondContact O-N 3.16Å; L257-M261 WeakPolarHBondContact O-CB 3.45Å; L257-M261 PolarHBondContact O-N 3.46Å
258	Q	82.5	Confident	80.6	Confident	62 Å²	62	57 Å²	57	29%	0.29	29%	0.293	S	S	.	.	H	α-helix	trans	-62.9	-43.4	175	-176.3	178.6	-19.4	0	0	111.8	A254 A255 Q256 M261 E262 Y345	A254-Q258 WeakPolarHBondContact O-CB 3.28Å; A254-Q258 PolarHBondContact O-N 3.39Å; A255-Q258 PolarHBondContact O-N 2.82Å; Q256-Q258 VanDerWaalsContact C-N 3.31Å; Q256-Q258 PolarHBondContact O-N 2.92Å; Q258-M261 PolarHBondContact O-N 3.19Å; Q258-E262 WeakPolarHBondContact CG-OE1 3.38Å; Q258-E262 PolarHBondContact NE2-OE1 3.07Å; Q258-E262 WeakPolarHBondContact O-CG 3.37Å; Q258-E262 PolarHBondContact O-N 3.41Å; Q258-Y345 PolarHBondContact OE1-OH 3.18Å
259	I	82	Confident	81.2	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-65.7	-42.4	178	-65.9	155	0	0	0	111.1	A255 Q256 M261 E262 F263 L349 R352 L356 L392	A255-I259 VanDerWaalsContact O-CD1 3.26Å; A255-I259 WeakPolarHBondContact O-CD1 3.26Å; A255-I259 WeakPolarHBondContact O-CG1 3.48Å; A255-I259 PolarHBondContact O-N 3.16Å; Q256-I259 PolarHBondContact O-N 3.45Å; I259-M261 VanDerWaalsContact C-N 3.34Å; I259-M261 PolarHBondContact O-N 3.27Å; I259-E262 PolarHBondContact O-N 2.76Å; I259-F263 WeakPolarHBondContact O-CB 3.37Å; I259-F263 PolarHBondContact O-N 2.87Å; I259-L349 HydrophobicContact CD1-CD2 3.94Å; I259-L349 HydrophobicContact CG1-CD2 3.82Å; I259-R352 HydrophobicContact CD1-CB 3.47Å; I259-R352 VanDerWaalsContact CD1-CB 3.47Å; I259-R352 HydrophobicContact CD1-CG 4.01Å; I259-R352 HydrophobicContact CG1-CB 4.42Å; I259-L356 HydrophobicContact CG2-CD1 3.56Å; I259-L392 HydrophobicContact CB-CD2 4.43Å; I259-L392 HydrophobicContact CG2-CD1 4.33Å; I259-L392 HydrophobicContact CG2-CD2 3.98Å
260	L	81.8	Confident	81.4	Confident	9 Å²	9	58.6 Å²	58.6	5%	0.047	29%	0.293	C	S	.	.	H	α-helix	trans	-60.3	-43.5	174.7	178.7	61	0	0	0	111.4	Q256 L257 F263 L264 L385 F388 Q389	Q256-L260 PolarHBondContact O-N 2.84Å; L257-L260 PolarHBondContact O-N 3.16Å; L260-F263 PolarHBondContact O-N 3.36Å; L260-L264 HydrophobicContact CD1-CD1 4.14Å; L260-L264 HydrophobicContact CD1-CG 4.23Å; L260-L264 HydrophobicContact CG-CD1 4.08Å; L260-L264 WeakPolarHBondContact O-CB 3.43Å; L260-L264 VanDerWaalsContact O-CG 3.28Å; L260-L264 WeakPolarHBondContact O-CG 3.38Å; L260-L264 PolarHBondContact O-N 3.27Å; L260-L385 HydrophobicContact CD2-CD1 4.47Å; L260-F388 HydrophobicContact CD1-CD1 3.74Å; L260-F388 HydrophobicContact CD1-CE1 3.73Å; L260-Q389 HydrophobicContact CD2-CB 4.07Å; L260-Q389 HydrophobicContact CD2-CG 4.25Å
261	M	83.7	Confident	81.7	Confident	97 Å²	97	59.5 Å²	59.5	48%	0.478	29%	0.286	S	S	.	.	H	α-helix	trans	-65.1	-36.9	176.1	-179.3	57.7	59.8	0	0	112.8	L257 Q258 I259 K265	L257-M261 WeakPolarHBondContact O-CB 3.45Å; L257-M261 PolarHBondContact O-N 3.46Å; Q258-M261 PolarHBondContact O-N 3.19Å; I259-M261 VanDerWaalsContact C-N 3.34Å; I259-M261 PolarHBondContact O-N 3.27Å; M261-K265 HydrophobicContact CG-CD 4.38Å; M261-K265 WeakPolarHBondContact O-CB 3.34Å; M261-K265 WeakPolarHBondContact O-CD 3.45Å; M261-K265 VanDerWaalsContact O-CG 3.24Å; M261-K265 WeakPolarHBondContact O-CG 3.4Å; M261-K265 PolarHBondContact O-N 3.3Å; M261-K265 HydrophobicContact SD-CD 4.37Å; M261-K265 VanDerWaalsContact SD-CE 3.58Å; M261-K265 HydrophobicContact SD-CG 4.48Å
262	E	83.2	Confident	82.1	Confident	55 Å²	55	64.2 Å²	64.2	26%	0.257	30%	0.301	S	S	.	.	H	α-helix	trans	-68.7	-44.8	174.5	-74.4	172.6	-163.5	0	0	111.2	Q258 I259 K265 V266 R353	Q258-E262 WeakPolarHBondContact CG-OE1 3.38Å; Q258-E262 PolarHBondContact NE2-OE1 3.07Å; Q258-E262 WeakPolarHBondContact O-CG 3.37Å; Q258-E262 PolarHBondContact O-N 3.41Å; I259-E262 PolarHBondContact O-N 2.76Å; E262-K265 PolarHBondContact O-N 2.73Å; E262-V266 WeakPolarHBondContact O-CG2 3.4Å; E262-V266 PolarHBondContact O-N 3.44Å; E262-R353 IonicContact OE1-CZ 3.44Å; E262-R353 IonicContact OE1-NE 3.23Å; E262-R353 IonicContact OE1-NH2 3.41Å; E262-R353 PolarHBondContact OE1-NH2 3.38Å; E262-R353 IonicContact OE2-CZ 3.91Å; E262-R353 IonicContact OE2-NE 3.64Å; E262-R353 PolarHBondContact OE2-NE 3.22Å; E262-R353 IonicContact OE2-NH2 2.61Å; E262-R353 PolarHBondContact OE2-NH2 3.35Å
263	F	85.6	Confident	82.7	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-56.4	-52.2	173.2	171.4	-99.4	0	0	0	112.4	I259 L260 K265 V266 A267 L356 F360 L363 Y367 F388	I259-F263 WeakPolarHBondContact O-CB 3.37Å; I259-F263 PolarHBondContact O-N 2.87Å; L260-F263 PolarHBondContact O-N 3.36Å; F263-K265 VanDerWaalsContact C-N 3.28Å; F263-K265 PolarHBondContact O-N 3.5Å; F263-V266 PolarHBondContact O-N 2.99Å; F263-V266 VanDerWaalsContact O-N 3.15Å; F263-A267 WeakPolarHBondContact O-CB 2.99Å; F263-A267 PolarHBondContact O-N 2.85Å; F263-L356 HydrophobicContact CB-CD1 3.85Å; F263-L356 HydrophobicContact CB-CD2 4.24Å; F263-L356 HydrophobicContact CD2-CD1 4.11Å; F263-L356 HydrophobicContact CD2-CD2 4.29Å; F263-L356 HydrophobicContact CD2-CG 4.44Å; F263-L356 HydrophobicContact CG-CD1 4.3Å; F263-F360 AromaticContact CD2-CD2 3.99Å; F263-F360 HydrophobicContact CD2-CD2 3.99Å; F263-F360 AromaticContact CD2-CE2 3.5Å; F263-F360 HydrophobicContact CD2-CE2 3.5Å; F263-F360 VanDerWaalsContact CD2-CE2 3.5Å; F263-F360 HydrophobicContact CD2-CZ 4.14Å; F263-F360 HydrophobicContact CE2-CD2 4.22Å; F263-F360 AromaticContact CE2-CE2 3.82Å; F263-F360 HydrophobicContact CE2-CE2 3.82Å; F263-F360 HydrophobicContact CE2-CZ 4.09Å; F263-F360 HydrophobicContact CG-CE2 4.49Å; F263-L363 HydrophobicContact CD2-CB 4.49Å; F263-L363 HydrophobicContact CE2-CB 3.76Å; F263-L363 HydrophobicContact CZ-CB 4.27Å; F263-Y367 HydrophobicContact CE1-CD1 4.49Å; F263-Y367 HydrophobicContact CE1-CD2 4.14Å; F263-Y367 AromaticContact CE1-CG 3.95Å; F263-Y367 HydrophobicContact CE1-CG 3.95Å; F263-Y367 HydrophobicContact CZ-CG 4.35Å; F263-F388 AromaticContact CD1-CE1 3.71Å; F263-F388 HydrophobicContact CD1-CE1 3.71Å; F263-F388 AromaticContact CD1-CZ 3.98Å; F263-F388 HydrophobicContact CD1-CZ 3.98Å; F263-F388 AromaticContact CE1-CE1 3.48Å; F263-F388 HydrophobicContact CE1-CE1 3.48Å; F263-F388 VanDerWaalsContact CE1-CE1 3.48Å; F263-F388 HydrophobicContact CE1-CE2 4.48Å; F263-F388 AromaticContact CE1-CZ 3.42Å; F263-F388 HydrophobicContact CE1-CZ 3.42Å; F263-F388 VanDerWaalsContact CE1-CZ 3.42Å; F263-F388 HydrophobicContact CE2-CZ 4.39Å; F263-F388 HydrophobicContact CZ-CE1 4.2Å; F263-F388 AromaticContact CZ-CZ 3.66Å; F263-F388 HydrophobicContact CZ-CZ 3.66Å
264	L	84.2	Confident	83.1	Confident	46 Å²	46	66.3 Å²	66.3	24%	0.241	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-34.6	-179.4	-70.1	170.9	0	0	0	112.3	L260 R268 Y367	L260-L264 HydrophobicContact CD1-CD1 4.14Å; L260-L264 HydrophobicContact CD1-CG 4.23Å; L260-L264 HydrophobicContact CG-CD1 4.08Å; L260-L264 WeakPolarHBondContact O-CB 3.43Å; L260-L264 VanDerWaalsContact O-CG 3.28Å; L260-L264 WeakPolarHBondContact O-CG 3.38Å; L260-L264 PolarHBondContact O-N 3.27Å; L264-R268 WeakPolarHBondContact O-CB 3.4Å; L264-R268 PolarHBondContact O-N 3.34Å; L264-Y367 HydrophobicContact CD2-CE1 4.31Å; L264-Y367 HydrophobicContact CD2-CE2 3.74Å
265	K	85.9	Confident	83.6	Confident	116 Å²	116	68.6 Å²	68.6	50%	0.504	31%	0.311	S	S	.	.	H	α-helix	trans	-67.1	-41.6	174.6	-77.5	170.6	-178.9	173.3	0	112.3	M261 E262 F263 R269	M261-K265 HydrophobicContact CG-CD 4.38Å; M261-K265 WeakPolarHBondContact O-CB 3.34Å; M261-K265 WeakPolarHBondContact O-CD 3.45Å; M261-K265 VanDerWaalsContact O-CG 3.24Å; M261-K265 WeakPolarHBondContact O-CG 3.4Å; M261-K265 PolarHBondContact O-N 3.3Å; M261-K265 HydrophobicContact SD-CD 4.37Å; M261-K265 VanDerWaalsContact SD-CE 3.58Å; M261-K265 HydrophobicContact SD-CG 4.48Å; E262-K265 PolarHBondContact O-N 2.73Å; F263-K265 VanDerWaalsContact C-N 3.28Å; F263-K265 PolarHBondContact O-N 3.5Å; K265-R269 PolarHBondContact O-N 2.97Å
266	V	85.2	Confident	84.2	Confident	63 Å²	63	72.4 Å²	72.4	38%	0.382	33%	0.328	S	S	.	.	H	α-helix	trans	-70.9	-46.6	176.9	177.8	0	0	0	0	110.7	E262 F263 R268 R269 N270 F360	E262-V266 WeakPolarHBondContact O-CG2 3.4Å; E262-V266 PolarHBondContact O-N 3.44Å; F263-V266 PolarHBondContact O-N 2.99Å; F263-V266 VanDerWaalsContact O-N 3.15Å; V266-R268 VanDerWaalsContact C-N 3.31Å; V266-R268 PolarHBondContact O-N 3.34Å; V266-R269 WeakPolarHBondContact O-CA 3.37Å; V266-R269 VanDerWaalsContact O-CB 3.29Å; V266-R269 WeakPolarHBondContact O-CB 3.35Å; V266-R269 PolarHBondContact O-N 2.85Å; V266-N270 PolarHBondContact O-N 2.87Å; V266-N270 PolarHBondContact O-OD1 2.68Å; V266-N270 VanDerWaalsContact O-OD1 3.08Å; V266-F360 HydrophobicContact CB-CE2 3.9Å; V266-F360 HydrophobicContact CB-CZ 3.96Å; V266-F360 HydrophobicContact CG1-CE1 4.29Å; V266-F360 HydrophobicContact CG1-CE2 3.67Å; V266-F360 HydrophobicContact CG1-CZ 3.55Å
267	A	80.5	Confident	84.8	Confident	4 Å²	4	75.8 Å²	75.8	3%	0.033	34%	0.344	C	S	.	.	H	α-helix	trans	-58.8	-43.1	178.7	0	0	0	0	0	111.7	F263 R269 N270 K271 F360	F263-A267 WeakPolarHBondContact O-CB 2.99Å; F263-A267 PolarHBondContact O-N 2.85Å; A267-R269 VanDerWaalsContact C-N 3.29Å; A267-R269 PolarHBondContact O-N 3.42Å; A267-N270 PolarHBondContact O-N 2.84Å; A267-K271 WeakPolarHBondContact O-CB 3.44Å; A267-K271 WeakPolarHBondContact O-CG 3.25Å; A267-K271 PolarHBondContact O-N 2.74Å; A267-F360 HydrophobicContact CB-CZ 4.05Å
268	R	86.1	Confident	85.2	Confident	169 Å²	169	76.7 Å²	76.7	64%	0.638	35%	0.348	S	S	*	.	H	α-helix	trans	-63.1	-32.6	173.5	-173.3	-175	68	173.1	2.4	112.9	L264 V266 R272	L264-R268 WeakPolarHBondContact O-CB 3.4Å; L264-R268 PolarHBondContact O-N 3.34Å; V266-R268 VanDerWaalsContact C-N 3.31Å; V266-R268 PolarHBondContact O-N 3.34Å; R268-R272 PolarHBondContact O-N 3.36Å
269	R	87.4	Confident	85.6	Confident	164 Å²	164	79 Å²	79	62%	0.619	36%	0.359	S	S	*	.	H	α-helix	trans	-69.3	-54.6	175.4	-174.7	-176.7	-173.3	135.3	11.8	110.4	K265 V266 A267 K271 R272 E273	K265-R269 PolarHBondContact O-N 2.97Å; V266-R269 WeakPolarHBondContact O-CA 3.37Å; V266-R269 VanDerWaalsContact O-CB 3.29Å; V266-R269 WeakPolarHBondContact O-CB 3.35Å; V266-R269 PolarHBondContact O-N 2.85Å; A267-R269 VanDerWaalsContact C-N 3.29Å; A267-R269 PolarHBondContact O-N 3.42Å; R269-K271 VanDerWaalsContact C-N 3.25Å; R269-K271 PolarHBondContact O-N 3.04Å; R269-R272 WeakPolarHBondContact O-CA 3.49Å; R269-R272 WeakPolarHBondContact O-CB 3.44Å; R269-R272 PolarHBondContact O-N 3.38Å; R269-E273 VanDerWaalsContact CG-OE1 3.26Å; R269-E273 WeakPolarHBondContact CG-OE1 3.27Å; R269-E273 IonicContact CZ-OE1 2.66Å; R269-E273 IonicContact NE-OE1 2.95Å; R269-E273 PolarHBondContact NE-OE1 3Å; R269-E273 IonicContact NH2-OE1 2.93Å; R269-E273 PolarHBondContact O-N 3.05Å
270	N	83.3	Confident	85.8	Confident	46 Å²	46	84.4 Å²	84.4	25%	0.246	38%	0.382	C	S	.	.	H	α-helix	trans	-55.8	-40.6	178.5	-62.5	16.1	0	0	0	111.4	V266 A267 E273 Q274 F360	V266-N270 PolarHBondContact O-N 2.87Å; V266-N270 PolarHBondContact O-OD1 2.68Å; V266-N270 VanDerWaalsContact O-OD1 3.08Å; A267-N270 PolarHBondContact O-N 2.84Å; N270-E273 PolarHBondContact O-N 3.23Å; N270-Q274 WeakPolarHBondContact O-CB 3.34Å; N270-Q274 VanDerWaalsContact O-CG 3.3Å; N270-Q274 WeakPolarHBondContact O-CG 3.4Å; N270-Q274 PolarHBondContact O-N 3.43Å; N270-F360 WeakPolarHBondContact ND2-CE1 3.42Å
271	K	84.6	Confident	86	Confident	79 Å²	79	88.6 Å²	88.6	34%	0.343	40%	0.402	S	S	.	.	H	α-helix	trans	-69.8	-29	175.4	-71.1	-38.4	-165.1	-151.1	0	114.6	A267 R269 L275 E364 F368	A267-K271 WeakPolarHBondContact O-CB 3.44Å; A267-K271 WeakPolarHBondContact O-CG 3.25Å; A267-K271 PolarHBondContact O-N 2.74Å; R269-K271 VanDerWaalsContact C-N 3.25Å; R269-K271 PolarHBondContact O-N 3.04Å; K271-L275 VanDerWaalsContact O-CB 3.27Å; K271-L275 WeakPolarHBondContact O-CB 3.28Å; K271-L275 PolarHBondContact O-N 3.05Å; K271-E364 WeakPolarHBondContact CE-OE1 3.46Å; K271-E364 IonicContact NZ-OE1 3.79Å; K271-E364 PolarHBondContact NZ-OE1 3.3Å; K271-F368 HydrophobicContact CD-CE2 4.49Å; K271-F368 HydrophobicContact CG-CE2 4.33Å; K271-F368 HydrophobicContact CG-CZ 3.98Å
272	R	86	Confident	86.2	Confident	153 Å²	153	88.1 Å²	88.1	58%	0.577	40%	0.401	S	S	*	.	H	α-helix	trans	-70.9	-45.9	170.8	-179	178.9	-65.6	171.1	-4.9	110.9	R268 R269 Q274 L275 E276	R268-R272 PolarHBondContact O-N 3.36Å; R269-R272 WeakPolarHBondContact O-CA 3.49Å; R269-R272 WeakPolarHBondContact O-CB 3.44Å; R269-R272 PolarHBondContact O-N 3.38Å; R272-Q274 VanDerWaalsContact C-N 3.31Å; R272-Q274 PolarHBondContact O-N 3.04Å; R272-L275 PolarHBondContact O-N 2.7Å; R272-L275 VanDerWaalsContact O-N 3.08Å; R272-E276 WeakPolarHBondContact CD-OE1 3.42Å; R272-E276 HydrophobicContact CG-CG 4.4Å; R272-E276 VanDerWaalsContact CG-OE1 3.23Å; R272-E276 WeakPolarHBondContact CG-OE1 3.34Å; R272-E276 WeakPolarHBondContact O-CG 3.27Å; R272-E276 PolarHBondContact O-N 2.92Å
273	E	86.4	Confident	86.5	Confident	89 Å²	89	88 Å²	88	42%	0.416	41%	0.405	S	S	.	.	H	α-helix	trans	-63.4	-37.1	178.7	-69.1	165.5	-179.8	0	0	111	R269 N270 Q277	R269-E273 VanDerWaalsContact CG-OE1 3.26Å; R269-E273 WeakPolarHBondContact CG-OE1 3.27Å; R269-E273 IonicContact CZ-OE1 2.66Å; R269-E273 IonicContact NE-OE1 2.95Å; R269-E273 PolarHBondContact NE-OE1 3Å; R269-E273 IonicContact NH2-OE1 2.93Å; R269-E273 PolarHBondContact O-N 3.05Å; N270-E273 PolarHBondContact O-N 3.23Å; E273-Q277 WeakPolarHBondContact O-CB 3.38Å; E273-Q277 PolarHBondContact O-N 3Å
274	Q	85.4	Confident	86.7	Confident	94 Å²	94	91.5 Å²	91.5	44%	0.439	43%	0.427	S	S	.	.	H	α-helix	trans	-65.7	-39.8	169.5	-75.6	174.6	-2.4	0	0	113.2	N270 R272 Q277 I278	N270-Q274 WeakPolarHBondContact O-CB 3.34Å; N270-Q274 VanDerWaalsContact O-CG 3.3Å; N270-Q274 WeakPolarHBondContact O-CG 3.4Å; N270-Q274 PolarHBondContact O-N 3.43Å; R272-Q274 VanDerWaalsContact C-N 3.31Å; R272-Q274 PolarHBondContact O-N 3.04Å; Q274-Q277 PolarHBondContact O-N 3.39Å; Q274-I278 WeakPolarHBondContact O-CB 3.44Å; Q274-I278 VanDerWaalsContact O-CG1 3.29Å; Q274-I278 WeakPolarHBondContact O-CG1 3.28Å; Q274-I278 PolarHBondContact O-N 3.27Å
275	L	89.3	Confident	86.5	Confident	94 Å²	94	94 Å²	94	49%	0.492	44%	0.44	S	S	.	.	H	α-helix	trans	-67.9	-41.5	177.2	178.7	144.7	0	0	0	111.8	K271 R272 Q277 I278 Q279	K271-L275 VanDerWaalsContact O-CB 3.27Å; K271-L275 WeakPolarHBondContact O-CB 3.28Å; K271-L275 PolarHBondContact O-N 3.05Å; R272-L275 PolarHBondContact O-N 2.7Å; R272-L275 VanDerWaalsContact O-N 3.08Å; L275-Q277 VanDerWaalsContact C-N 3.28Å; L275-Q277 PolarHBondContact O-N 2.78Å; L275-I278 PolarHBondContact O-N 2.7Å; L275-Q279 HydrophobicContact CD2-CG 4.35Å; L275-Q279 WeakPolarHBondContact O-CB 3.2Å; L275-Q279 VanDerWaalsContact O-CG 3.26Å; L275-Q279 WeakPolarHBondContact O-CG 3.42Å; L275-Q279 PolarHBondContact O-N 2.82Å
276	E	89.5	Confident	86.7	Confident	85 Å²	85	94.5 Å²	94.5	40%	0.397	44%	0.444	S	S	.	.	H	α-helix	trans	-64.6	-31.6	174	-72.1	173.3	-154.8	0	0	112.2	R272 K280	R272-E276 WeakPolarHBondContact CD-OE1 3.42Å; R272-E276 HydrophobicContact CG-CG 4.4Å; R272-E276 VanDerWaalsContact CG-OE1 3.23Å; R272-E276 WeakPolarHBondContact CG-OE1 3.34Å; R272-E276 WeakPolarHBondContact O-CG 3.27Å; R272-E276 PolarHBondContact O-N 2.92Å; E276-K280 WeakPolarHBondContact O-CD 3.3Å; E276-K280 VanDerWaalsContact O-CG 3.31Å; E276-K280 WeakPolarHBondContact O-CG 3.11Å; E276-K280 PolarHBondContact O-N 2.89Å
277	Q	88.2	Confident	86.9	Confident	90 Å²	90	96.7 Å²	96.7	42%	0.421	45%	0.45	S	S	.	.	H	α-helix	trans	-72.2	-48.9	173.5	-179.4	58.6	25.8	0	0	111.7	E273 Q274 L275 Q279 K280 E281	E273-Q277 WeakPolarHBondContact O-CB 3.38Å; E273-Q277 PolarHBondContact O-N 3Å; Q274-Q277 PolarHBondContact O-N 3.39Å; L275-Q277 VanDerWaalsContact C-N 3.28Å; L275-Q277 PolarHBondContact O-N 2.78Å; Q277-Q279 VanDerWaalsContact C-N 3.26Å; Q277-Q279 PolarHBondContact O-N 3.32Å; Q277-K280 WeakPolarHBondContact O-CB 3.48Å; Q277-K280 PolarHBondContact O-N 2.81Å; Q277-E281 WeakPolarHBondContact CG-OE1 3.4Å; Q277-E281 PolarHBondContact NE2-OE1 2.66Å; Q277-E281 PolarHBondContact O-N 3.36Å
278	I	89.1	Confident	87.3	Confident	93 Å²	93	99.7 Å²	99.7	48%	0.477	47%	0.466	S	S	.	.	H	α-helix	trans	-62.3	-34.9	177.2	-69	165.4	0	0	0	110.9	Q274 L275 K280 E281 L282	Q274-I278 WeakPolarHBondContact O-CB 3.44Å; Q274-I278 VanDerWaalsContact O-CG1 3.29Å; Q274-I278 WeakPolarHBondContact O-CG1 3.28Å; Q274-I278 PolarHBondContact O-N 3.27Å; L275-I278 PolarHBondContact O-N 2.7Å; I278-K280 VanDerWaalsContact C-N 3.35Å; I278-K280 PolarHBondContact O-N 3.41Å; I278-E281 PolarHBondContact O-N 2.88Å; I278-L282 HydrophobicContact CG2-CD1 4.01Å; I278-L282 HydrophobicContact CG2-CG 4.34Å; I278-L282 WeakPolarHBondContact O-CB 3.29Å; I278-L282 VanDerWaalsContact O-CG 3.29Å; I278-L282 WeakPolarHBondContact O-CG 3.31Å; I278-L282 PolarHBondContact O-N 3.45Å
279	Q	90.4	Very high	87.3	Confident	112 Å²	112	96.2 Å²	96.2	52%	0.523	46%	0.459	S	S	.	.	H	α-helix	trans	-64.2	-36.1	173.4	-79.5	178.5	-35.3	0	0	112.9	L275 Q277 S283	L275-Q279 HydrophobicContact CD2-CG 4.35Å; L275-Q279 WeakPolarHBondContact O-CB 3.2Å; L275-Q279 VanDerWaalsContact O-CG 3.26Å; L275-Q279 WeakPolarHBondContact O-CG 3.42Å; L275-Q279 PolarHBondContact O-N 2.82Å; Q277-Q279 VanDerWaalsContact C-N 3.26Å; Q277-Q279 PolarHBondContact O-N 3.32Å; Q279-S283 PolarHBondContact O-N 2.93Å; Q279-S283 PolarHBondContact O-OG 3.36Å
280	K	87.1	Confident	87.2	Confident	115 Å²	115	93.9 Å²	93.9	50%	0.5	45%	0.453	S	S	.	.	H	α-helix	trans	-70.5	-41.3	174.4	-69	162.3	-168.2	164.9	0	111.8	E276 Q277 I278 L282 S283 V284	E276-K280 WeakPolarHBondContact O-CD 3.3Å; E276-K280 VanDerWaalsContact O-CG 3.31Å; E276-K280 WeakPolarHBondContact O-CG 3.11Å; E276-K280 PolarHBondContact O-N 2.89Å; Q277-K280 WeakPolarHBondContact O-CB 3.48Å; Q277-K280 PolarHBondContact O-N 2.81Å; I278-K280 VanDerWaalsContact C-N 3.35Å; I278-K280 PolarHBondContact O-N 3.41Å; K280-L282 VanDerWaalsContact C-N 3.34Å; K280-S283 WeakPolarHBondContact CA-OG 3.29Å; K280-S283 PolarHBondContact O-N 2.88Å; K280-S283 PolarHBondContact O-OG 3.05Å; K280-V284 WeakPolarHBondContact O-CG2 3.47Å; K280-V284 PolarHBondContact O-N 3.43Å
281	E	86	Confident	87.3	Confident	97 Å²	97	97 Å²	97	45%	0.453	46%	0.461	S	S	.	.	H	α-helix	trans	-62.8	-41.7	175.2	-71.3	167.9	-166.3	0	0	110.9	Q277 I278 V284 L285	Q277-E281 WeakPolarHBondContact CG-OE1 3.4Å; Q277-E281 PolarHBondContact NE2-OE1 2.66Å; Q277-E281 PolarHBondContact O-N 3.36Å; I278-E281 PolarHBondContact O-N 2.88Å; E281-V284 PolarHBondContact O-N 2.91Å; E281-L285 VanDerWaalsContact O-CG 3.31Å; E281-L285 WeakPolarHBondContact O-CG 3.4Å; E281-L285 PolarHBondContact O-N 2.93Å
282	L	86.4	Confident	87	Confident	87 Å²	87	97.6 Å²	97.6	46%	0.455	47%	0.471	S	S	.	.	H	α-helix	trans	-63.3	-45.8	171.9	-74.8	170.6	0	0	0	112.2	I278 K280 V284 L285 E286	I278-L282 HydrophobicContact CG2-CD1 4.01Å; I278-L282 HydrophobicContact CG2-CG 4.34Å; I278-L282 WeakPolarHBondContact O-CB 3.29Å; I278-L282 VanDerWaalsContact O-CG 3.29Å; I278-L282 WeakPolarHBondContact O-CG 3.31Å; I278-L282 PolarHBondContact O-N 3.45Å; K280-L282 VanDerWaalsContact C-N 3.34Å; L282-V284 VanDerWaalsContact C-N 3.29Å; L282-V284 PolarHBondContact O-N 2.99Å; L282-L285 CarbonylContact O-C 3.51Å; L282-L285 PolarHBondContact O-N 3.49Å; L282-L285 VanDerWaalsContact O-N 3.12Å; L282-E286 WeakPolarHBondContact O-CB 3.33Å; L282-E286 WeakPolarHBondContact O-CG 3.42Å; L282-E286 PolarHBondContact O-N 2.98Å
283	S	89.9	Confident	86.5	Confident	51 Å²	51	96 Å²	96	36%	0.357	47%	0.471	S	S	.	.	H	α-helix	trans	-64.1	-33.8	178.6	59.3	0	0	0	0	112.9	Q279 K280 E286 E287	Q279-S283 PolarHBondContact O-N 2.93Å; Q279-S283 PolarHBondContact O-OG 3.36Å; K280-S283 WeakPolarHBondContact CA-OG 3.29Å; K280-S283 PolarHBondContact O-N 2.88Å; K280-S283 PolarHBondContact O-OG 3.05Å; S283-E286 PolarHBondContact O-N 3.35Å; S283-E287 WeakPolarHBondContact O-CG 3.46Å; S283-E287 PolarHBondContact O-N 3.01Å
284	V	89.5	Confident	86.2	Confident	75 Å²	75	97.4 Å²	97.4	46%	0.455	48%	0.477	S	S	.	.	H	α-helix	trans	-66.9	-43.2	172.4	170.8	0	0	0	0	110.7	K280 E281 L282 E287 D288	K280-V284 WeakPolarHBondContact O-CG2 3.47Å; K280-V284 PolarHBondContact O-N 3.43Å; E281-V284 PolarHBondContact O-N 2.91Å; L282-V284 VanDerWaalsContact C-N 3.29Å; L282-V284 PolarHBondContact O-N 2.99Å; V284-E287 PolarHBondContact O-N 3.38Å; V284-D288 WeakPolarHBondContact O-CB 3.38Å; V284-D288 VanDerWaalsContact O-CG 3.23Å; V284-D288 PolarHBondContact O-N 3.06Å
285	L	80.6	Confident	85.5	Confident	97 Å²	97	100.9 Å²	100.9	51%	0.508	50%	0.496	S	S	.	.	H	α-helix	trans	-65.5	-36.1	175.4	-70.8	169.7	0	0	0	112.6	E281 L282 D288 I289	E281-L285 VanDerWaalsContact O-CG 3.31Å; E281-L285 WeakPolarHBondContact O-CG 3.4Å; E281-L285 PolarHBondContact O-N 2.93Å; L282-L285 CarbonylContact O-C 3.51Å; L282-L285 PolarHBondContact O-N 3.49Å; L282-L285 VanDerWaalsContact O-N 3.12Å; L285-D288 PolarHBondContact O-N 2.83Å; L285-I289 VanDerWaalsContact O-CB 3.3Å; L285-I289 WeakPolarHBondContact O-CB 3.39Å; L285-I289 WeakPolarHBondContact O-CD1 3.3Å; L285-I289 WeakPolarHBondContact O-CG1 3.14Å; L285-I289 PolarHBondContact O-N 3.45Å
286	E	89.2	Confident	84.4	Confident	128 Å²	128	99.7 Å²	99.7	60%	0.598	50%	0.495	S	S	*	.	H	α-helix	trans	-67.9	-41.8	175.1	-74.1	171.1	179.8	0	0	111.6	L282 S283 K290	L282-E286 WeakPolarHBondContact O-CB 3.33Å; L282-E286 WeakPolarHBondContact O-CG 3.42Å; L282-E286 PolarHBondContact O-N 2.98Å; S283-E286 PolarHBondContact O-N 3.35Å; E286-K290 WeakPolarHBondContact O-CB 3.49Å; E286-K290 PolarHBondContact O-N 3.32Å
287	E	89.9	Confident	83	Confident	109 Å²	109	98.7 Å²	98.7	51%	0.509	51%	0.507	S	S	.	.	H	α-helix	trans	-64.3	-42.4	170.6	-76.1	-171.3	-155.3	0	0	112.6	S283 V284 K290 R291	S283-E287 WeakPolarHBondContact O-CG 3.46Å; S283-E287 PolarHBondContact O-N 3.01Å; V284-E287 PolarHBondContact O-N 3.38Å; E287-K290 PolarHBondContact O-N 3.43Å; E287-R291 VanDerWaalsContact CB-NH2 3.31Å; E287-R291 WeakPolarHBondContact O-CB 3.3Å; E287-R291 WeakPolarHBondContact O-CG 3.46Å; E287-R291 PolarHBondContact O-N 3.12Å; E287-R291 IonicContact OE2-CZ 3.92Å; E287-R291 IonicContact OE2-NE 3.62Å; E287-R291 IonicContact OE2-NH2 2.63Å; E287-R291 PolarHBondContact OE2-NH2 3.03Å
288	D	88.9	Confident	81.5	Confident	66 Å²	66	101.5 Å²	101.5	35%	0.353	53%	0.525	S	S	.	.	H	α-helix	trans	-65.7	-42.2	179.3	-76.2	-3	0	0	0	110.8	V284 L285 R291 V292	V284-D288 WeakPolarHBondContact O-CB 3.38Å; V284-D288 VanDerWaalsContact O-CG 3.23Å; V284-D288 PolarHBondContact O-N 3.06Å; L285-D288 PolarHBondContact O-N 2.83Å; D288-R291 PolarHBondContact O-N 2.85Å; D288-R291 IonicContact OD1-CZ 2.73Å; D288-R291 VanDerWaalsContact OD1-CZ 3.25Å; D288-R291 IonicContact OD1-NH1 3.66Å; D288-R291 PolarHBondContact OD1-NH1 3.41Å; D288-R291 IonicContact OD1-NH2 3.72Å; D288-R291 PolarHBondContact OD1-NH2 2.83Å; D288-V292 WeakPolarHBondContact O-CB 3.35Å; D288-V292 VanDerWaalsContact O-CG2 3.3Å; D288-V292 WeakPolarHBondContact O-CG2 3.34Å; D288-V292 PolarHBondContact O-N 2.95Å
289	I	85.7	Confident	79.4	Confident	96 Å²	96	107.1 Å²	107.1	49%	0.492	54%	0.541	S	S	.	.	H	α-helix	trans	-58.4	-51	171.3	-74	163.6	0	0	0	109.9	L285 R291 V292 E293	L285-I289 VanDerWaalsContact O-CB 3.3Å; L285-I289 WeakPolarHBondContact O-CB 3.39Å; L285-I289 WeakPolarHBondContact O-CD1 3.3Å; L285-I289 WeakPolarHBondContact O-CG1 3.14Å; L285-I289 PolarHBondContact O-N 3.45Å; I289-R291 VanDerWaalsContact C-N 3.34Å; I289-R291 PolarHBondContact O-N 2.78Å; I289-V292 CarbonylContact O-C 3.58Å; I289-V292 WeakPolarHBondContact O-CA 3.4Å; I289-V292 WeakPolarHBondContact O-CB 3.36Å; I289-V292 PolarHBondContact O-N 3.48Å; I289-E293 HydrophobicContact CG2-CG 4.32Å; I289-E293 WeakPolarHBondContact O-CG 3.46Å; I289-E293 PolarHBondContact O-N 2.83Å
290	K	87	Confident	77	Confident	116 Å²	116	106.3 Å²	106.3	50%	0.504	55%	0.548	S	S	.	.	H	α-helix	trans	-60.4	-41.5	179.5	-176.2	173.4	-177.8	-78.3	0	112.4	E286 E287 V292 E293 E294	E286-K290 WeakPolarHBondContact O-CB 3.49Å; E286-K290 PolarHBondContact O-N 3.32Å; E287-K290 PolarHBondContact O-N 3.43Å; K290-V292 VanDerWaalsContact C-N 3.31Å; K290-V292 PolarHBondContact O-N 3.06Å; K290-E293 PolarHBondContact O-N 3.38Å; K290-E294 IonicContact NZ-OE1 3.16Å; K290-E294 PolarHBondContact NZ-OE1 3.34Å; K290-E294 WeakPolarHBondContact O-CB 3.3Å; K290-E294 VanDerWaalsContact O-CG 3.3Å; K290-E294 WeakPolarHBondContact O-CG 3.43Å; K290-E294 PolarHBondContact O-N 3.34Å
291	R	84.4	Confident	75.2	Confident	110 Å²	110	106 Å²	106	42%	0.415	56%	0.558	S	S	.	*	H	α-helix	trans	-67.1	-31.3	175.6	-73.8	-173	-102.4	100.2	-2.2	111.9	E287 D288 I289 M295	E287-R291 VanDerWaalsContact CB-NH2 3.31Å; E287-R291 WeakPolarHBondContact O-CB 3.3Å; E287-R291 WeakPolarHBondContact O-CG 3.46Å; E287-R291 PolarHBondContact O-N 3.12Å; E287-R291 IonicContact OE2-CZ 3.92Å; E287-R291 IonicContact OE2-NE 3.62Å; E287-R291 IonicContact OE2-NH2 2.63Å; E287-R291 PolarHBondContact OE2-NH2 3.03Å; D288-R291 PolarHBondContact O-N 2.85Å; D288-R291 IonicContact OD1-CZ 2.73Å; D288-R291 VanDerWaalsContact OD1-CZ 3.25Å; D288-R291 IonicContact OD1-NH1 3.66Å; D288-R291 PolarHBondContact OD1-NH1 3.41Å; D288-R291 IonicContact OD1-NH2 3.72Å; D288-R291 PolarHBondContact OD1-NH2 2.83Å; I289-R291 VanDerWaalsContact C-N 3.34Å; I289-R291 PolarHBondContact O-N 2.78Å; R291-M295 WeakPolarHBondContact O-CB 3.31Å; R291-M295 WeakPolarHBondContact O-CG 3.47Å; R291-M295 PolarHBondContact O-N 3.06Å
292	V	77.5	Confident	72.9	Confident	92 Å²	92	108.1 Å²	108.1	56%	0.558	58%	0.577	S	S	*	*	H	α-helix	trans	-72.4	-40.2	171.3	167.7	0	0	0	0	111.8	D288 I289 K290 M295 S296	D288-V292 WeakPolarHBondContact O-CB 3.35Å; D288-V292 VanDerWaalsContact O-CG2 3.3Å; D288-V292 WeakPolarHBondContact O-CG2 3.34Å; D288-V292 PolarHBondContact O-N 2.95Å; I289-V292 CarbonylContact O-C 3.58Å; I289-V292 WeakPolarHBondContact O-CA 3.4Å; I289-V292 WeakPolarHBondContact O-CB 3.36Å; I289-V292 PolarHBondContact O-N 3.48Å; K290-V292 VanDerWaalsContact C-N 3.31Å; K290-V292 PolarHBondContact O-N 3.06Å; V292-M295 CarbonylContact O-C 3.59Å; V292-M295 PolarHBondContact O-N 2.88Å; V292-S296 WeakPolarHBondContact O-CB 3.49Å; V292-S296 PolarHBondContact O-N 2.79Å
293	E	76.8	Confident	70.9	Confident	121 Å²	121	109.2 Å²	109.2	57%	0.565	59%	0.592	S	S	*	*	H	α-helix	trans	-61.5	-45.7	173.7	-72.1	176.3	157.7	0	0	111	I289 K290 M295 S296 G297	I289-E293 HydrophobicContact CG2-CG 4.32Å; I289-E293 WeakPolarHBondContact O-CG 3.46Å; I289-E293 PolarHBondContact O-N 2.83Å; K290-E293 PolarHBondContact O-N 3.38Å; E293-M295 PolarHBondContact O-N 3.09Å; E293-S296 WeakPolarHBondContact O-CB 3.46Å; E293-S296 PolarHBondContact O-N 2.94Å; E293-S296 VanDerWaalsContact O-N 3.09Å; E293-S296 PolarHBondContact O-OG 2.84Å; E293-G297 PolarHBondContact O-N 3.4Å
294	E	79.8	Confident	68.4	Low	118 Å²	118	115.9 Å²	115.9	55%	0.551	62%	0.617	S	S	*	*	H	α-helix	trans	-59.8	-43.6	174.3	-74.5	169.6	-179.9	0	0	111.9	K290 S296	K290-E294 IonicContact NZ-OE1 3.16Å; K290-E294 PolarHBondContact NZ-OE1 3.34Å; K290-E294 WeakPolarHBondContact O-CB 3.3Å; K290-E294 VanDerWaalsContact O-CG 3.3Å; K290-E294 WeakPolarHBondContact O-CG 3.43Å; K290-E294 PolarHBondContact O-N 3.34Å; E294-S296 VanDerWaalsContact C-N 3.32Å; E294-S296 PolarHBondContact O-N 3.48Å
295	M	69.8	Low	65.5	Low	167 Å²	167	119.6 Å²	119.6	82%	0.823	64%	0.635	S	S	*	*	H	α-helix	trans	-72.3	-19.7	173.7	-72.2	-156	-56.5	0	0	114.2	R291 V292 E293 G297	R291-M295 WeakPolarHBondContact O-CB 3.31Å; R291-M295 WeakPolarHBondContact O-CG 3.47Å; R291-M295 PolarHBondContact O-N 3.06Å; V292-M295 CarbonylContact O-C 3.59Å; V292-M295 PolarHBondContact O-N 2.88Å; E293-M295 PolarHBondContact O-N 3.09Å; M295-G297 VanDerWaalsContact C-N 3.28Å; M295-G297 PolarHBondContact O-N 3.48Å
296	S	66.1	Low	63.3	Low	68 Å²	68	119.3 Å²	119.3	48%	0.476	64%	0.641	S	S	.	*	H	α-helix	trans	-76	-14.2	177.5	79.5	0	0	0	0	113.6	V292 E293 E294 L298	V292-S296 WeakPolarHBondContact O-CB 3.49Å; V292-S296 PolarHBondContact O-N 2.79Å; E293-S296 WeakPolarHBondContact O-CB 3.46Å; E293-S296 PolarHBondContact O-N 2.94Å; E293-S296 VanDerWaalsContact O-N 3.09Å; E293-S296 PolarHBondContact O-OG 2.84Å; E294-S296 VanDerWaalsContact C-N 3.32Å; E294-S296 PolarHBondContact O-N 3.48Å; S296-L298 PolarHBondContact O-N 2.67Å
297	G	59.9	Low	60.6	Low	64 Å²	64	120.2 Å²	120.2	66%	0.66	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	73	20	174.6	0	0	0	0	0	115.4	E293 M295	E293-G297 PolarHBondContact O-N 3.4Å; M295-G297 VanDerWaalsContact C-N 3.28Å; M295-G297 PolarHBondContact O-N 3.48Å
298	L	58.1	Low	57.8	Low	150 Å²	150	121.2 Å²	121.2	79%	0.785	67%	0.668	S	S	*	*			trans	-102.1	26.8	-171.1	-95.5	168	0	0	0	116.1	S296	S296-L298 PolarHBondContact O-N 2.67Å
299	Y	44.4	Very low	56.2	Low	210 Å²	210	123.3 Å²	123.3	82%	0.824	69%	0.686	S	S	*	*			trans	-145.1	137.7	157.1	-144.8	-99.7	0	0	0	113.4
300	S	40.8	Very low	53.6	Low	96 Å²	96	128.2 Å²	128.2	67%	0.671	71%	0.706	S	S	*	*			trans	-121.6	113.5	173.6	-178.5	0	0	0	0	108.9	V302	S300-V302 PolarHBondContact O-N 3.3Å
301	P	48	Very low	50.9	Low	109 Å²	109	131.6 Å²	131.6	71%	0.708	72%	0.722	S	S	*	*			trans	-79.1	117.5	173.5	29.3	-28.4	0	0	0	110
302	V	39.1	Very low	48.3	Very low	141 Å²	141	135.2 Å²	135.2	86%	0.855	74%	0.743	S	S	*	*			trans	-68.3	139.2	171.7	-179.7	0	0	0	0	109.6	S300	S300-V302 PolarHBondContact O-N 3.3Å
303	S	44	Very low	46	Very low	109 Å²	109	135 Å²	135	76%	0.762	75%	0.751	S	S	*	*			trans	-108.2	116.8	-168.8	58.1	0	0	0	0	114.1
304	E	36.3	Very low	44.6	Very low	191 Å²	191	134.3 Å²	134.3	89%	0.893	76%	0.757	S	S	*	*			trans	-145.6	141.2	162	-69.6	-173.6	161.6	0	0	106.6
305	D	29.9	Very low	42.3	Very low	154 Å²	154	134 Å²	134	82%	0.824	77%	0.768	S	S	*	*			cis	-149.3	-170.2	-9.9	-171.6	13.8	0	0	0	109.1
306	S	33.1	Very low	41.4	Very low	90 Å²	90	131.6 Å²	131.6	63%	0.629	77%	0.765	S	S	*	*			trans	-94.7	138.8	-154	-49.3	0	0	0	0	115.1
307	T	33.5	Very low	39.7	Very low	147 Å²	147	133.3 Å²	133.3	90%	0.902	78%	0.777	S	S	*	*			trans	-166.6	163.6	134.5	7.2	0	0	0	0	113.5
308	V	31.4	Very low	38.2	Very low	130 Å²	130	138.9 Å²	138.9	79%	0.788	79%	0.785	S	S	*	*			trans	-155.7	158.1	-160.4	-175.9	0	0	0	0	108.2
309	P	54.6	Low	36.8	Very low	110 Å²	110	136.8 Å²	136.8	71%	0.714	78%	0.783	S	S	*	*			cis	-122.8	-173.8	-34.8	38.4	-23.8	0	0	0	112.2
310	Q	30.3	Very low	36.1	Very low	199 Å²	199	131.7 Å²	131.7	93%	0.93	78%	0.778	S	S	*	*			trans	-146.9	174.7	134.1	-138.2	166.3	-8.7	0	0	112.2
311	F	32.3	Very low	35.9	Very low	187 Å²	187	134 Å²	134	82%	0.82	78%	0.781	S	S	*	*			trans	-136.5	137.5	-147.6	-161.9	-92	0	0	0	110.3
312	E	28	Very low	35.2	Very low	187 Å²	187	135.9 Å²	135.9	87%	0.874	78%	0.784	S	S	*	*			trans	176.2	166.6	132.9	-98.4	-178.7	167.5	0	0	112.9
313	A	30.6	Very low	34.6	Very low	87 Å²	87	135.5 Å²	135.5	72%	0.719	78%	0.777	S	S	*	*			trans	-148.6	-167.7	-168.5	0	0	0	0	0	111
314	P	45.8	Very low	33.7	Very low	107 Å²	107	135.2 Å²	135.2	70%	0.695	78%	0.775	S	S	*	*				-136.5	149.9	-89.7	40.7	-24	0	0	0	116.8
315	S	32.3	Very low	33.6	Very low	112 Å²	112	132.7 Å²	132.7	78%	0.783	77%	0.773	S	S	*	*			trans	62.8	-175.4	158.2	12.1	0	0	0	0	117
316	P	51.8	Low	33.4	Very low	115 Å²	115	134.6 Å²	134.6	75%	0.747	78%	0.777	S	S	*	*			cis	-131	178	-34.9	35.3	-19.9	0	0	0	112.8
317	S	29.6	Very low	33.4	Very low	104 Å²	104	141.2 Å²	141.2	73%	0.727	79%	0.79	S	S	*	*			trans	177.7	140	131.4	35.6	0	0	0	0	114.7
318	H	28.4	Very low	33.1	Very low	182 Å²	182	140 Å²	140	84%	0.843	79%	0.787	S	S	*	*			trans	38	146.9	139.9	-65.8	-104.1	0	0	0	121.9
319	S	29	Very low	33.1	Very low	105 Å²	105	142.4 Å²	142.4	73%	0.734	79%	0.79	S	S	*	*			cis	-166.5	160.8	-10.1	44.5	0	0	0	0	110.3
320	S	30.1	Very low	32.1	Very low	103 Å²	103	142.9 Å²	142.9	72%	0.72	79%	0.792	S	S	*	*			trans	-77.7	162.3	175.9	48.9	0	0	0	0	114
321	I	35	Very low	32.2	Very low	144 Å²	144	139.7 Å²	139.7	74%	0.738	79%	0.789	S	S	*	*				164.8	124.3	129.5	-89.6	165.4	0	0	0	112.8
322	I	34.5	Very low	32	Very low	149 Å²	149	134.2 Å²	134.2	76%	0.764	79%	0.785	S	S	*	*			trans	49.6	131.4	139.3	-58.1	178	0	0	0	118.1
323	D	25.4	Very low	32.1	Very low	134 Å²	134	135.2 Å²	135.2	72%	0.717	79%	0.787	S	S	*	*			cis	-146.4	-152.9	10.8	-144	37	0	0	0	109.9
324	S	26.8	Very low	32	Very low	102 Å²	102	136.6 Å²	136.6	71%	0.713	79%	0.792	S	S	*	*			cis	-152.9	169.8	5.5	-114.9	0	0	0	0	110.9
325	T	33.9	Very low	31.1	Very low	138 Å²	138	135.3 Å²	135.3	85%	0.847	80%	0.798	S	S	*	*			trans	-89.3	140.8	170.7	57.2	0	0	0	0	113.7
326	E	25.2	Very low	31	Very low	194 Å²	194	134.4 Å²	134.4	91%	0.907	79%	0.792	S	S	*	*			trans	-147.6	148.2	148	-153.1	166.7	-142.8	0	0	112
327	Y	32	Very low	29.9	Very low	230 Å²	230	134.4 Å²	134.4	90%	0.902	79%	0.794	S	S	*	*			trans	-77.6	144	179.4	-107.8	-112.6	0	0	0	111
328	S	27.5	Very low	30	Very low	120 Å²	120	138.1 Å²	138.1	84%	0.839	80%	0.8	S	S	*	*			trans	-147.4	135.6	166.9	-83.9	0	0	0	0	112.3
329	Q	32.8	Very low	30.1	Very low	182 Å²	182	134.7 Å²	134.7	85%	0.85	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-82.4	158.9	-176.9	-74.1	-174.9	-4.2	0	0	112.2
330	P	32.8	Very low	30.5	Very low	119 Å²	119	139.8 Å²	139.8	77%	0.773	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-63	143.1	-179.4	25.1	-35.4	0	0	0	112.6	G332	P330-G332 PolarHBondContact O-N 3.47Å
331	P	32.7	Very low	30.9	Very low	132 Å²	132	140.8 Å²	140.8	86%	0.857	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-61.5	124.7	-177.1	-25.4	35	0	0	0	114.1	F333	P331-F333 PolarHBondContact O-N 3.46Å
332	G	28.3	Very low	31.1	Very low	72 Å²	72	139.1 Å²	139.1	74%	0.742	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-71.2	118.9	173.9	0	0	0	0	0	112.2	P330 S334	P330-G332 PolarHBondContact O-N 3.47Å; G332-S334 PolarHBondContact O-N 3.47Å; G332-S334 VanDerWaalsContact O-N 3.13Å
333	F	28.6	Very low	31.4	Very low	209 Å²	209	136.8 Å²	136.8	92%	0.917	78%	0.776	S	S	*	*			trans	-73.9	102	179.9	-168.2	-89.8	0	0	0	111.3	P331	P331-F333 PolarHBondContact O-N 3.46Å
334	S	28.6	Very low	31.8	Very low	116 Å²	116	139.1 Å²	139.1	81%	0.811	78%	0.775	S	S	*	*			trans	-133.2	142.6	172.5	68	0	0	0	0	110.6	G332	G332-S334 PolarHBondContact O-N 3.47Å; G332-S334 VanDerWaalsContact O-N 3.13Å
335	G	28.4	Very low	32.4	Very low	80 Å²	80	135.6 Å²	135.6	83%	0.825	75%	0.746	S	S	*	*			trans	124.9	49.6	179.9	0	0	0	0	0	116.7
336	S	28.9	Very low	33.2	Very low	93 Å²	93	133.2 Å²	133.2	65%	0.65	73%	0.728	S	S	*	*	S	Bend	trans	-151.9	110.7	157.3	-164.1	0	0	0	0	113	Q338	S336-Q338 PolarHBondContact O-N 3.33Å
337	S	29.3	Very low	34.6	Very low	115 Å²	115	127.2 Å²	127.2	80%	0.804	71%	0.708	S	S	*	*			trans	39.4	55.3	140	-51.2	0	0	0	0	118.6	T339	S337-T339 PolarHBondContact O-N 2.89Å
338	Q	31.8	Very low	36	Very low	181 Å²	181	118.6 Å²	118.6	85%	0.846	68%	0.679	S	S	*	*			trans	-68.4	103.5	167.8	-75.7	-165.9	2.1	0	0	111.2	S336 K340	S336-Q338 PolarHBondContact O-N 3.33Å; Q338-K340 PolarHBondContact O-N 3.46Å
339	T	31.5	Very low	37.9	Very low	111 Å²	111	113.1 Å²	113.1	68%	0.681	64%	0.64	S	S	*	*			trans	-59.5	127.2	148.6	43.2	0	0	0	0	107.7	S337 K341	S337-T339 PolarHBondContact O-N 2.89Å; T339-K341 VanDerWaalsContact C-N 3.32Å; T339-K341 PolarHBondContact O-N 3.4Å
340	K	37.4	Very low	39.7	Very low	211 Å²	211	107 Å²	107	92%	0.917	62%	0.621	S	S	*	*			trans	-69.1	84.7	-174.3	-70	-178.1	177.5	179.2	0	111	Q338	Q338-K340 PolarHBondContact O-N 3.46Å
341	K	37.3	Very low	41.5	Very low	124 Å²	124	104 Å²	104	54%	0.539	60%	0.603	S	S	.	*			trans	-81.2	148.6	174.5	-71.5	-170.6	173.7	-171.2	0	111.6	T339 Y345	T339-K341 VanDerWaalsContact C-N 3.32Å; T339-K341 PolarHBondContact O-N 3.4Å; K341-Y345 HydrophobicContact CD-CD1 4.49Å; K341-Y345 HydrophobicContact CD-CE1 4.27Å
342	Q	39.8	Very low	43.3	Very low	110 Å²	110	99 Å²	99	51%	0.514	57%	0.567	S	S	.	*			trans	-58.8	144.3	-170.1	-73.6	-69.9	-5.7	0	0	113.5	W344 Y345	Q342-W344 VanDerWaalsContact C-N 3.28Å; Q342-W344 PolarHBondContact O-N 2.95Å; Q342-Y345 PolarHBondContact O-N 2.79Å
343	P	39.6	Very low	45.5	Very low	100 Å²	100	100.7 Å²	100.7	65%	0.649	55%	0.551	S	S	*	*	H	α-helix	trans	-57.5	-37.4	-178.4	-26.2	35.3	0	0	0	114.2	Y345 N346 S347	P343-Y345 PolarHBondContact O-N 3.04Å; P343-N346 PolarHBondContact O-N 3.39Å; P343-S347 PolarHBondContact O-N 3.38Å
344	W	34.6	Very low	47.8	Very low	183 Å²	183	98.7 Å²	98.7	69%	0.693	54%	0.542	S	S	*	.	H	α-helix	trans	-58.4	-47.5	-180	-177.9	-107.5	0	0	0	112.8	Q342 N346 S347 T348	Q342-W344 VanDerWaalsContact C-N 3.28Å; Q342-W344 PolarHBondContact O-N 2.95Å; W344-N346 PolarHBondContact O-N 2.85Å; W344-S347 WeakPolarHBondContact O-CB 3.35Å; W344-S347 PolarHBondContact O-N 2.95Å; W344-T348 PolarHBondContact O-N 2.9Å; W344-T348 VanDerWaalsContact O-N 3.1Å; W344-T348 PolarHBondContact O-OG1 3.48Å
345	Y	39.9	Very low	49.9	Very low	27 Å²	27	94.9 Å²	94.9	11%	0.106	51%	0.51	C	S	.	.	H	α-helix	trans	-53.9	-40.1	179.3	178.5	-93.2	0	0	0	112.3	E251 A255 Q258 K341 Q342 P343 L349	E251-Y345 HydrophobicContact CB-CD2 4.38Å; A255-Y345 HydrophobicContact CB-CE2 4.14Å; Q258-Y345 PolarHBondContact OE1-OH 3.18Å; K341-Y345 HydrophobicContact CD-CD1 4.49Å; K341-Y345 HydrophobicContact CD-CE1 4.27Å; Q342-Y345 PolarHBondContact O-N 2.79Å; P343-Y345 PolarHBondContact O-N 3.04Å; Y345-L349 HydrophobicContact CD1-CD1 3.81Å; Y345-L349 HydrophobicContact CE1-CD1 3.25Å; Y345-L349 HydrophobicContact CE1-CG 4.44Å; Y345-L349 HydrophobicContact CE2-CD1 4.42Å; Y345-L349 WeakPolarHBondContact O-CB 3.45Å; Y345-L349 PolarHBondContact O-N 2.91Å; Y345-L349 VanDerWaalsContact O-N 3.15Å
346	N	49.7	Very low	52.3	Low	88 Å²	88	91.8 Å²	91.8	47%	0.471	47%	0.474	S	S	.	.	H	α-helix	trans	-71.4	-34.6	179	-65.5	-37.5	0	0	0	112.6	P343 W344 A350	P343-N346 PolarHBondContact O-N 3.39Å; W344-N346 PolarHBondContact O-N 2.85Å; N346-A350 WeakPolarHBondContact O-CB 3.44Å; N346-A350 PolarHBondContact O-N 2.8Å
347	S	54.3	Low	54.5	Low	69 Å²	69	92.5 Å²	92.5	48%	0.483	48%	0.475	S	S	.	.	H	α-helix	trans	-67.6	-49.4	177.4	-168.7	0	0	0	0	111.5	P343 W344 L349 A350 S351	P343-S347 PolarHBondContact O-N 3.38Å; W344-S347 WeakPolarHBondContact O-CB 3.35Å; W344-S347 PolarHBondContact O-N 2.95Å; S347-L349 VanDerWaalsContact C-N 3.32Å; S347-L349 PolarHBondContact O-N 2.88Å; S347-A350 PolarHBondContact O-N 2.69Å; S347-A350 VanDerWaalsContact O-N 3.16Å; S347-S351 PolarHBondContact O-N 2.78Å; S347-S351 VanDerWaalsContact O-N 3.07Å
348	T	63.3	Low	56.8	Low	48 Å²	48	90.2 Å²	90.2	29%	0.294	46%	0.463	S	S	.	.	H	α-helix	trans	-60.6	-40.9	176.9	-43	0	0	0	0	111.7	W344 S351 R352	W344-T348 PolarHBondContact O-N 2.9Å; W344-T348 VanDerWaalsContact O-N 3.1Å; W344-T348 PolarHBondContact O-OG1 3.48Å; T348-S351 PolarHBondContact O-N 2.91Å; T348-R352 WeakPolarHBondContact O-CG 3.42Å; T348-R352 PolarHBondContact O-N 2.69Å
349	L	67.3	Low	59.1	Low	5 Å²	5	82.4 Å²	82.4	3%	0.026	43%	0.426	C	S	.	.	H	α-helix	trans	-63.8	-41.8	174.3	-90.1	173.2	0	0	0	113.1	A255 I259 Y345 S347 R352 R353	A255-L349 HydrophobicContact CB-CD2 3.78Å; A255-L349 HydrophobicContact CB-CG 4Å; I259-L349 HydrophobicContact CD1-CD2 3.94Å; I259-L349 HydrophobicContact CG1-CD2 3.82Å; Y345-L349 HydrophobicContact CD1-CD1 3.81Å; Y345-L349 HydrophobicContact CE1-CD1 3.25Å; Y345-L349 HydrophobicContact CE1-CG 4.44Å; Y345-L349 HydrophobicContact CE2-CD1 4.42Å; Y345-L349 WeakPolarHBondContact O-CB 3.45Å; Y345-L349 PolarHBondContact O-N 2.91Å; Y345-L349 VanDerWaalsContact O-N 3.15Å; S347-L349 VanDerWaalsContact C-N 3.32Å; S347-L349 PolarHBondContact O-N 2.88Å; L349-R352 PolarHBondContact O-N 3.34Å; L349-R353 WeakPolarHBondContact O-CB 3.48Å; L349-R353 WeakPolarHBondContact O-CG 2.83Å; L349-R353 PolarHBondContact O-N 2.79Å
350	A	69.2	Low	61.5	Low	53 Å²	53	78.3 Å²	78.3	44%	0.438	40%	0.399	S	S	.	.	H	α-helix	trans	-61.6	-44.3	177.8	0	0	0	0	0	111.7	N346 S347 R353 K354	N346-A350 WeakPolarHBondContact O-CB 3.44Å; N346-A350 PolarHBondContact O-N 2.8Å; S347-A350 PolarHBondContact O-N 2.69Å; S347-A350 VanDerWaalsContact O-N 3.16Å; A350-R353 PolarHBondContact O-N 3.19Å; A350-K354 PolarHBondContact O-N 3.25Å
351	S	70.2	Confident	63.5	Low	57 Å²	57	74 Å²	74	40%	0.399	38%	0.382	S	S	.	.	H	α-helix	trans	-67.6	-34.6	176.5	-65.3	0	0	0	0	113.3	S347 T348 R355	S347-S351 PolarHBondContact O-N 2.78Å; S347-S351 VanDerWaalsContact O-N 3.07Å; T348-S351 PolarHBondContact O-N 2.91Å; S351-R355 PolarHBondContact O-NE 2.92Å
352	R	71.4	Confident	65.5	Low	26 Å²	26	68.9 Å²	68.9	10%	0.098	36%	0.361	C	S	.	.	H	α-helix	trans	-68.6	-43	171.4	-70.9	-176	-178.8	174	3.1	111.6	S252 I259 T348 L349 R355 L356	S252-R352 PolarHBondContact O-NH1 3.29Å; S252-R352 PolarHBondContact OG-NH2 3.22Å; I259-R352 HydrophobicContact CD1-CB 3.47Å; I259-R352 VanDerWaalsContact CD1-CB 3.47Å; I259-R352 HydrophobicContact CD1-CG 4.01Å; I259-R352 HydrophobicContact CG1-CB 4.42Å; T348-R352 WeakPolarHBondContact O-CG 3.42Å; T348-R352 PolarHBondContact O-N 2.69Å; L349-R352 PolarHBondContact O-N 3.34Å; R352-R355 PolarHBondContact O-N 3.01Å; R352-L356 PolarHBondContact O-N 3.15Å
353	R	74.3	Confident	67.5	Low	108 Å²	108	63.7 Å²	63.7	41%	0.408	34%	0.336	S	S	.	.	H	α-helix	trans	-58.8	-50	175.9	-79.7	172.4	170.2	166.2	-4	112.8	E262 L349 A350 R355 L356 T357	E262-R353 IonicContact OE1-CZ 3.44Å; E262-R353 IonicContact OE1-NE 3.23Å; E262-R353 IonicContact OE1-NH2 3.41Å; E262-R353 PolarHBondContact OE1-NH2 3.38Å; E262-R353 IonicContact OE2-CZ 3.91Å; E262-R353 IonicContact OE2-NE 3.64Å; E262-R353 PolarHBondContact OE2-NE 3.22Å; E262-R353 IonicContact OE2-NH2 2.61Å; E262-R353 PolarHBondContact OE2-NH2 3.35Å; L349-R353 WeakPolarHBondContact O-CB 3.48Å; L349-R353 WeakPolarHBondContact O-CG 2.83Å; L349-R353 PolarHBondContact O-N 2.79Å; A350-R353 PolarHBondContact O-N 3.19Å; R353-R355 PolarHBondContact O-N 2.85Å; R353-L356 PolarHBondContact O-N 3.47Å; R353-T357 PolarHBondContact O-N 3.29Å; R353-T357 PolarHBondContact O-OG1 2.97Å
354	K	77.8	Confident	69.4	Low	168 Å²	168	59.9 Å²	59.9	73%	0.73	31%	0.31	S	S	*	.	H	α-helix	trans	-54.7	-40.4	-179.9	-175.4	-179.8	178.4	-176.6	0	111.9	A350 A358	A350-K354 PolarHBondContact O-N 3.25Å; K354-A358 PolarHBondContact O-N 3.36Å
355	R	72.8	Confident	71.5	Confident	35 Å²	35	57.6 Å²	57.6	13%	0.132	31%	0.307	C	S	.	.	H	α-helix	trans	-71.7	-39.8	176.5	-67.8	-174.5	-67.5	156.2	-6.6	112.6	S351 R352 R353 T357 A358 H359 F395 T396 Y398	S351-R355 PolarHBondContact O-NE 2.92Å; R352-R355 PolarHBondContact O-N 3.01Å; R353-R355 PolarHBondContact O-N 2.85Å; R355-T357 VanDerWaalsContact C-N 3.28Å; R355-T357 PolarHBondContact O-N 3.18Å; R355-A358 PolarHBondContact O-N 3.38Å; R355-H359 WeakPolarHBondContact O-CB 3.47Å; R355-H359 PolarHBondContact O-CD2 3.28Å; R355-H359 VanDerWaalsContact O-CD2 3.29Å; R355-H359 PolarHBondContact O-N 3.23Å; R355-F395 HydrophobicContact CB-CE1 4.39Å; R355-F395 HydrophobicContact CB-CZ 4.26Å; R355-T396 PolarHBondContact NH2-O 2.95Å; R355-Y398 PolarHBondContact NH1-O 3.19Å
356	L	78	Confident	73.4	Confident	16 Å²	16	56.8 Å²	56.8	8%	0.084	31%	0.305	C	S	.	.	H	α-helix	trans	-60	-38.1	173.9	-173.1	127.9	0	0	0	112.1	I259 F263 R352 R353 F360 L363 L392	I259-L356 HydrophobicContact CG2-CD1 3.56Å; F263-L356 HydrophobicContact CB-CD1 3.85Å; F263-L356 HydrophobicContact CB-CD2 4.24Å; F263-L356 HydrophobicContact CD2-CD1 4.11Å; F263-L356 HydrophobicContact CD2-CD2 4.29Å; F263-L356 HydrophobicContact CD2-CG 4.44Å; F263-L356 HydrophobicContact CG-CD1 4.3Å; R352-L356 PolarHBondContact O-N 3.15Å; R353-L356 PolarHBondContact O-N 3.47Å; L356-F360 HydrophobicContact CD2-CD2 3.97Å; L356-F360 HydrophobicContact CD2-CE2 4.33Å; L356-F360 VanDerWaalsContact O-CA 3.28Å; L356-F360 WeakPolarHBondContact O-CA 3.2Å; L356-F360 WeakPolarHBondContact O-CB 3.44Å; L356-F360 PolarHBondContact O-N 3.34Å; L356-L363 HydrophobicContact CD1-CD1 4.08Å; L356-L363 HydrophobicContact CG-CD1 4.02Å; L356-L392 HydrophobicContact CD1-CD1 3.92Å
357	T	76	Confident	74.8	Confident	108 Å²	108	54.3 Å²	54.3	66%	0.663	29%	0.29	S	S	*	.	H	α-helix	trans	-64.1	-47.1	173.5	-51.1	0	0	0	0	112.1	R353 R355 H359 F360	R353-T357 PolarHBondContact O-N 3.29Å; R353-T357 PolarHBondContact O-OG1 2.97Å; R355-T357 VanDerWaalsContact C-N 3.28Å; R355-T357 PolarHBondContact O-N 3.18Å; T357-H359 VanDerWaalsContact C-N 3.28Å; T357-H359 PolarHBondContact O-N 3.2Å; T357-F360 WeakPolarHBondContact O-CB 3.47Å; T357-F360 PolarHBondContact O-N 2.71Å
358	A	77.2	Confident	75.9	Confident	66 Å²	66	53.5 Å²	53.5	55%	0.545	28%	0.277	S	S	.	.	H	α-helix	trans	-66.6	-27.1	-179.7	0	0	0	0	0	113.9	K354 R355	K354-A358 PolarHBondContact O-N 3.36Å; R355-A358 PolarHBondContact O-N 3.38Å
359	H	79.7	Confident	76.4	Confident	17 Å²	17	54.3 Å²	54.3	8%	0.079	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	11.9	-179.7	-69.1	-110.5	0	0	0	113.4	R355 T357 E361 D362 L363 F395 T670	R355-H359 WeakPolarHBondContact O-CB 3.47Å; R355-H359 PolarHBondContact O-CD2 3.28Å; R355-H359 VanDerWaalsContact O-CD2 3.29Å; R355-H359 PolarHBondContact O-N 3.23Å; T357-H359 VanDerWaalsContact C-N 3.28Å; T357-H359 PolarHBondContact O-N 3.2Å; H359-E361 VanDerWaalsContact C-N 3.33Å; H359-E361 PolarHBondContact O-N 3.36Å; H359-D362 PolarHBondContact O-N 2.81Å; H359-D362 VanDerWaalsContact O-N 3.16Å; H359-L363 HydrophobicContact CB-CD1 4Å; H359-L363 HydrophobicContact CB-CG 4.36Å; H359-L363 WeakPolarHBondContact O-CG 3.48Å; H359-L363 PolarHBondContact O-N 3.23Å; H359-F395 HydrophobicContact CB-CE1 4.11Å; H359-F395 HydrophobicContact CB-CZ 3.76Å; H359-F395 AromaticContact CD2-CZ 3.58Å; H359-F395 AromaticContact CE1-CE2 3.79Å; H359-F395 AromaticContact CE1-CZ 3.93Å; H359-F395 AromaticContact CG-CE2 3.9Å; H359-F395 AromaticContact CG-CZ 3.37Å; H359-F395 AromaticContact ND1-CE2 3.62Å; H359-F395 AromaticContact ND1-CZ 3.61Å; H359-F395 AromaticContact NE2-CZ 3.94Å; H359-T670 PolarHBondContact CE1-O 3.29Å; H359-T670 PolarHBondContact NE2-O 2.93Å
360	F	81.1	Confident	76.6	Confident	25 Å²	25	55.1 Å²	55.1	11%	0.11	29%	0.29	C	S	.	.	H	α-helix	trans	-57.4	-44.2	-168.3	-167.7	-90	0	0	0	112.9	F263 V266 A267 N270 L356 T357 L363 E364	F263-F360 AromaticContact CD2-CD2 3.99Å; F263-F360 HydrophobicContact CD2-CD2 3.99Å; F263-F360 AromaticContact CD2-CE2 3.5Å; F263-F360 HydrophobicContact CD2-CE2 3.5Å; F263-F360 VanDerWaalsContact CD2-CE2 3.5Å; F263-F360 HydrophobicContact CD2-CZ 4.14Å; F263-F360 HydrophobicContact CE2-CD2 4.22Å; F263-F360 AromaticContact CE2-CE2 3.82Å; F263-F360 HydrophobicContact CE2-CE2 3.82Å; F263-F360 HydrophobicContact CE2-CZ 4.09Å; F263-F360 HydrophobicContact CG-CE2 4.49Å; V266-F360 HydrophobicContact CB-CE2 3.9Å; V266-F360 HydrophobicContact CB-CZ 3.96Å; V266-F360 HydrophobicContact CG1-CE1 4.29Å; V266-F360 HydrophobicContact CG1-CE2 3.67Å; V266-F360 HydrophobicContact CG1-CZ 3.55Å; A267-F360 HydrophobicContact CB-CZ 4.05Å; N270-F360 WeakPolarHBondContact ND2-CE1 3.42Å; L356-F360 HydrophobicContact CD2-CD2 3.97Å; L356-F360 HydrophobicContact CD2-CE2 4.33Å; L356-F360 VanDerWaalsContact O-CA 3.28Å; L356-F360 WeakPolarHBondContact O-CA 3.2Å; L356-F360 WeakPolarHBondContact O-CB 3.44Å; L356-F360 PolarHBondContact O-N 3.34Å; T357-F360 WeakPolarHBondContact O-CB 3.47Å; T357-F360 PolarHBondContact O-N 2.71Å; F360-L363 PolarHBondContact O-N 2.95Å; F360-E364 HydrophobicContact CE1-CB 4.36Å; F360-E364 WeakPolarHBondContact CE1-OE2 3.41Å; F360-E364 VanDerWaalsContact O-CB 3.27Å; F360-E364 WeakPolarHBondContact O-CB 3.26Å; F360-E364 PolarHBondContact O-N 3.16Å
361	E	79.8	Confident	76.7	Confident	122 Å²	122	55.8 Å²	55.8	57%	0.57	28%	0.281	S	S	*	.	H	α-helix	trans	-62.4	-44.2	179.4	-54.7	164.7	132.4	0	0	112.5	H359 E364 Q365 K669	H359-E361 VanDerWaalsContact C-N 3.33Å; H359-E361 PolarHBondContact O-N 3.36Å; E361-E364 PolarHBondContact O-N 3.25Å; E361-Q365 WeakPolarHBondContact O-CB 3.41Å; E361-Q365 WeakPolarHBondContact O-CG 3.27Å; E361-Q365 PolarHBondContact O-N 3.48Å; E361-K669 IonicContact OE2-NZ 2.7Å; E361-K669 PolarHBondContact OE2-NZ 3.45Å
362	D	80.3	Confident	76.5	Confident	16 Å²	16	58.3 Å²	58.3	9%	0.086	29%	0.288	C	S	.	.	H	α-helix	trans	-66	-40.2	177.8	-71.9	52	0	0	0	110.7	H359 C366 L667 S668 K669	H359-D362 PolarHBondContact O-N 2.81Å; H359-D362 VanDerWaalsContact O-N 3.16Å; D362-C366 VanDerWaalsContact O-CB 3.25Å; D362-C366 WeakPolarHBondContact O-CB 3.33Å; D362-C366 PolarHBondContact O-N 3.03Å; D362-L667 HydrophobicContact CB-CD2 3.89Å; D362-S668 WeakPolarHBondContact OD2-CA 3.12Å; D362-S668 WeakPolarHBondContact OD2-CB 3.33Å; D362-S668 PolarHBondContact OD2-N 3.19Å; D362-K669 WeakPolarHBondContact OD1-CD 3.33Å; D362-K669 WeakPolarHBondContact OD1-CE 3.2Å; D362-K669 IonicContact OD1-NZ 3.05Å; D362-K669 PolarHBondContact OD1-NZ 3.06Å; D362-K669 PolarHBondContact OD2-N 2.82Å
363	L	81	Confident	75.8	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-69.1	-37	176.6	-73.2	164.8	0	0	0	111.7	F263 L356 H359 F360 C366 Y367 F388 F395 L667	F263-L363 HydrophobicContact CD2-CB 4.49Å; F263-L363 HydrophobicContact CE2-CB 3.76Å; F263-L363 HydrophobicContact CZ-CB 4.27Å; L356-L363 HydrophobicContact CD1-CD1 4.08Å; L356-L363 HydrophobicContact CG-CD1 4.02Å; H359-L363 HydrophobicContact CB-CD1 4Å; H359-L363 HydrophobicContact CB-CG 4.36Å; H359-L363 WeakPolarHBondContact O-CG 3.48Å; H359-L363 PolarHBondContact O-N 3.23Å; F360-L363 PolarHBondContact O-N 2.95Å; L363-C366 PolarHBondContact O-N 2.97Å; L363-Y367 VanDerWaalsContact O-CB 3.27Å; L363-Y367 WeakPolarHBondContact O-CB 3.42Å; L363-Y367 PolarHBondContact O-N 2.85Å; L363-F388 HydrophobicContact CD2-CE2 4.4Å; L363-F388 HydrophobicContact CD2-CZ 4.35Å; L363-F388 WeakPolarHBondContact O-CE2 3.38Å; L363-F395 HydrophobicContact CD1-CD1 4.38Å; L363-F395 HydrophobicContact CD1-CE1 4.17Å; L363-F395 HydrophobicContact CD2-CD1 4.35Å; L363-L667 HydrophobicContact CD2-CD1 3.89Å; L363-L667 HydrophobicContact CD2-CD2 3.96Å; L363-L667 HydrophobicContact CG-CD1 4.42Å; L363-L667 HydrophobicContact CG-CD2 4.23Å
364	E	79.8	Confident	74.8	Confident	21 Å²	21	63.7 Å²	63.7	10%	0.098	32%	0.322	C	S	.	.	H	α-helix	trans	-66.1	-46	174.8	-171.1	-179.3	162	0	0	111	K271 F360 E361 Y367 F368	K271-E364 WeakPolarHBondContact CE-OE1 3.46Å; K271-E364 IonicContact NZ-OE1 3.79Å; K271-E364 PolarHBondContact NZ-OE1 3.3Å; F360-E364 HydrophobicContact CE1-CB 4.36Å; F360-E364 WeakPolarHBondContact CE1-OE2 3.41Å; F360-E364 VanDerWaalsContact O-CB 3.27Å; F360-E364 WeakPolarHBondContact O-CB 3.26Å; F360-E364 PolarHBondContact O-N 3.16Å; E361-E364 PolarHBondContact O-N 3.25Å; E364-Y367 PolarHBondContact O-N 2.67Å; E364-F368 HydrophobicContact CG-CD2 3.71Å; E364-F368 HydrophobicContact CG-CE2 3.47Å; E364-F368 VanDerWaalsContact CG-CE2 3.47Å; E364-F368 WeakPolarHBondContact O-CD2 3.48Å; E364-F368 PolarHBondContact O-N 3.25Å
365	Q	79.3	Confident	73.4	Confident	135 Å²	135	62.6 Å²	62.6	63%	0.631	32%	0.322	S	S	*	.	H	α-helix	trans	-62.5	-43	172.6	-71.2	177.2	16.9	0	0	111.9	E361 S369	E361-Q365 WeakPolarHBondContact O-CB 3.41Å; E361-Q365 WeakPolarHBondContact O-CG 3.27Å; E361-Q365 PolarHBondContact O-N 3.48Å; Q365-S369 VanDerWaalsContact O-CB 3.28Å; Q365-S369 WeakPolarHBondContact O-CB 3.34Å; Q365-S369 PolarHBondContact O-N 2.9Å; Q365-S369 PolarHBondContact O-OG 2.76Å
366	C	78.5	Confident	72.3	Confident	10 Å²	10	65.4 Å²	65.4	7%	0.068	35%	0.348	C	S	.	.	H	α-helix	trans	-59.8	-50.3	174.8	-168.7	0	0	0	0	111.2	D362 L363 F368 S369 T370 F388 C391 L667	D362-C366 VanDerWaalsContact O-CB 3.25Å; D362-C366 WeakPolarHBondContact O-CB 3.33Å; D362-C366 PolarHBondContact O-N 3.03Å; L363-C366 PolarHBondContact O-N 2.97Å; C366-F368 PolarHBondContact O-N 3.15Å; C366-S369 WeakPolarHBondContact CA-OG 3.3Å; C366-S369 PolarHBondContact O-N 2.85Å; C366-S369 PolarHBondContact O-OG 2.66Å; C366-T370 PolarHBondContact O-N 2.91Å; C366-T370 PolarHBondContact O-OG1 2.83Å; C366-F388 HydrophobicContact CB-CE2 4.32Å; C366-C391 VanDerWaalsContact SG-SG 3.67Å; C366-L667 HydrophobicContact CB-CD2 4.06Å
367	Y	79.6	Confident	70.9	Confident	36 Å²	36	68.4 Å²	68.4	14%	0.141	36%	0.363	C	S	.	.	H	α-helix	trans	-56.2	-52.5	178.7	178.4	-104.3	0	0	0	111.8	F263 L264 L363 E364 T370 R371 L385 F388	F263-Y367 HydrophobicContact CE1-CD1 4.49Å; F263-Y367 HydrophobicContact CE1-CD2 4.14Å; F263-Y367 AromaticContact CE1-CG 3.95Å; F263-Y367 HydrophobicContact CE1-CG 3.95Å; F263-Y367 HydrophobicContact CZ-CG 4.35Å; L264-Y367 HydrophobicContact CD2-CE1 4.31Å; L264-Y367 HydrophobicContact CD2-CE2 3.74Å; L363-Y367 VanDerWaalsContact O-CB 3.27Å; L363-Y367 WeakPolarHBondContact O-CB 3.42Å; L363-Y367 PolarHBondContact O-N 2.85Å; E364-Y367 PolarHBondContact O-N 2.67Å; Y367-T370 PolarHBondContact O-N 3.47Å; Y367-R371 HydrophobicContact CD2-CG 4.05Å; Y367-R371 HydrophobicContact CE1-CG 4.24Å; Y367-R371 HydrophobicContact CE2-CG 3.76Å; Y367-R371 HydrophobicContact CG-CG 4.41Å; Y367-R371 VanDerWaalsContact O-CB 3.28Å; Y367-R371 WeakPolarHBondContact O-CB 3.45Å; Y367-R371 WeakPolarHBondContact O-CG 3.5Å; Y367-R371 PolarHBondContact O-N 3.49Å; Y367-L385 HydrophobicContact CE2-CD1 4.23Å; Y367-F388 HydrophobicContact CD2-CB 4.37Å; Y367-F388 AromaticContact CD2-CD1 3.7Å; Y367-F388 HydrophobicContact CD2-CD1 3.7Å; Y367-F388 HydrophobicContact CD2-CD2 4.11Å; Y367-F388 AromaticContact CD2-CE1 3.97Å; Y367-F388 HydrophobicContact CD2-CE1 3.97Å; Y367-F388 HydrophobicContact CD2-CE2 4.37Å; Y367-F388 AromaticContact CD2-CG 3.77Å; Y367-F388 HydrophobicContact CD2-CG 3.77Å; Y367-F388 HydrophobicContact CD2-CZ 4.3Å; Y367-F388 HydrophobicContact CE2-CD1 4.4Å
368	F	77.7	Confident	69.6	Low	52 Å²	52	70.3 Å²	70.3	23%	0.228	37%	0.37	C	S	.	.	H	α-helix	trans	-71.4	-32.5	-178.3	-69.1	-54.9	0	0	0	113.1	K271 E364 C366 R371 M372	K271-F368 HydrophobicContact CD-CE2 4.49Å; K271-F368 HydrophobicContact CG-CE2 4.33Å; K271-F368 HydrophobicContact CG-CZ 3.98Å; E364-F368 HydrophobicContact CG-CD2 3.71Å; E364-F368 HydrophobicContact CG-CE2 3.47Å; E364-F368 VanDerWaalsContact CG-CE2 3.47Å; E364-F368 WeakPolarHBondContact O-CD2 3.48Å; E364-F368 PolarHBondContact O-N 3.25Å; C366-F368 PolarHBondContact O-N 3.15Å; F368-R371 PolarHBondContact O-N 3.44Å; F368-M372 HydrophobicContact CB-CE 4.18Å; F368-M372 HydrophobicContact CB-SD 3.78Å; F368-M372 HydrophobicContact CD1-CE 4.31Å; F368-M372 HydrophobicContact CD1-SD 3.41Å; F368-M372 WeakPolarHBondContact CD1-SD 3.38Å; F368-M372 HydrophobicContact CE1-SD 4.34Å; F368-M372 HydrophobicContact CG-CE 4.44Å; F368-M372 HydrophobicContact CG-SD 3.95Å; F368-M372 WeakPolarHBondContact O-CB 3.35Å; F368-M372 PolarHBondContact O-N 3.36Å
369	S	73.8	Confident	68.3	Low	65 Å²	65	72.9 Å²	72.9	46%	0.455	38%	0.383	S	S	.	.	H	α-helix	trans	-64.6	-43	172.5	56.8	0	0	0	0	112.5	Q365 C366 S373	Q365-S369 VanDerWaalsContact O-CB 3.28Å; Q365-S369 WeakPolarHBondContact O-CB 3.34Å; Q365-S369 PolarHBondContact O-N 2.9Å; Q365-S369 PolarHBondContact O-OG 2.76Å; C366-S369 WeakPolarHBondContact CA-OG 3.3Å; C366-S369 PolarHBondContact O-N 2.85Å; C366-S369 PolarHBondContact O-OG 2.66Å; S369-S373 WeakPolarHBondContact O-CB 3.43Å; S369-S373 PolarHBondContact O-N 2.9Å
370	T	71.3	Confident	67	Low	22 Å²	22	77.2 Å²	77.2	14%	0.135	40%	0.399	C	S	.	.	H	α-helix	trans	-64	-44.4	173.5	-60.7	0	0	0	0	111.6	C366 Y367 Q384 E387	C366-T370 PolarHBondContact O-N 2.91Å; C366-T370 PolarHBondContact O-OG1 2.83Å; Y367-T370 PolarHBondContact O-N 3.47Å; T370-Q384 HydrophobicContact CG2-CB 4.27Å; T370-E387 HydrophobicContact CG2-CB 4.32Å; T370-E387 HydrophobicContact CG2-CG 4.19Å; T370-E387 WeakPolarHBondContact CG2-OE2 3.46Å
371	R	70.6	Confident	65.7	Low	67 Å²	67	79.2 Å²	79.2	25%	0.253	41%	0.413	S	S	.	.	H	α-helix	trans	-80.7	-32.5	-172.6	-66.5	-67.8	-64.6	-147.1	4.4	115.3	Y367 F368 T381	Y367-R371 HydrophobicContact CD2-CG 4.05Å; Y367-R371 HydrophobicContact CE1-CG 4.24Å; Y367-R371 HydrophobicContact CE2-CG 3.76Å; Y367-R371 HydrophobicContact CG-CG 4.41Å; Y367-R371 VanDerWaalsContact O-CB 3.28Å; Y367-R371 WeakPolarHBondContact O-CB 3.45Å; Y367-R371 WeakPolarHBondContact O-CG 3.5Å; Y367-R371 PolarHBondContact O-N 3.49Å; F368-R371 PolarHBondContact O-N 3.44Å; R371-T381 PolarHBondContact NH1-O 3.17Å
372	M	65.8	Low	64.6	Low	110 Å²	110	76.5 Å²	76.5	54%	0.542	41%	0.412	S	S	.	.	H	α-helix	trans	-99.1	-2.2	-180	-73.7	124.8	73.4	0	0	113.9	F368 R374 I375	F368-M372 HydrophobicContact CB-CE 4.18Å; F368-M372 HydrophobicContact CB-SD 3.78Å; F368-M372 HydrophobicContact CD1-CE 4.31Å; F368-M372 HydrophobicContact CD1-SD 3.41Å; F368-M372 WeakPolarHBondContact CD1-SD 3.38Å; F368-M372 HydrophobicContact CE1-SD 4.34Å; F368-M372 HydrophobicContact CG-CE 4.44Å; F368-M372 HydrophobicContact CG-SD 3.95Å; F368-M372 WeakPolarHBondContact O-CB 3.35Å; F368-M372 PolarHBondContact O-N 3.36Å; M372-R374 PolarHBondContact O-N 3.47Å; M372-R374 VanDerWaalsContact O-N 3.14Å; M372-I375 HydrophobicContact CB-CD1 4.16Å; M372-I375 HydrophobicContact CB-CG1 4.48Å; M372-I375 HydrophobicContact CG-CD1 3.93Å
373	S	57.2	Low	63.7	Low	86 Å²	86	78.9 Å²	78.9	60%	0.601	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.8	178.7	173.8	0	0	0	0	114.3	S369	S369-S373 WeakPolarHBondContact O-CB 3.43Å; S369-S373 PolarHBondContact O-N 2.9Å
374	R	53	Low	63	Low	160 Å²	160	79.9 Å²	79.9	60%	0.604	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-149	71.1	-176.3	-59.5	-171.5	-167	-165.8	5.2	112.8	M372 S376	M372-R374 PolarHBondContact O-N 3.47Å; M372-R374 VanDerWaalsContact O-N 3.14Å; R374-S376 PolarHBondContact O-N 3.18Å
375	I	49.4	Very low	62.8	Low	145 Å²	145	81.3 Å²	81.3	74%	0.744	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	66.2	174.4	-46.1	176.5	0	0	0	109.7	M372	M372-I375 HydrophobicContact CB-CD1 4.16Å; M372-I375 HydrophobicContact CB-CG1 4.48Å; M372-I375 HydrophobicContact CG-CD1 3.93Å
376	S	50.2	Low	62.5	Low	95 Å²	95	79.2 Å²	79.2	66%	0.664	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.6	-2.8	-177.6	70.4	0	0	0	0	115.9	R374	R374-S376 PolarHBondContact O-N 3.18Å
377	D	47.4	Very low	62.3	Low	78 Å²	78	84 Å²	84	42%	0.417	46%	0.457	S	S	.	.			trans	-145.3	99.6	-178.5	-80.8	-66.5	0	0	0	110.2	S379 R380	D377-S379 PolarHBondContact O-N 3.24Å; D377-S379 VanDerWaalsContact O-N 3.09Å; D377-R380 HydrophobicContact CB-CG 4.42Å; D377-R380 PolarHBondContact O-N 3.2Å; D377-R380 IonicContact OD2-CZ 2.64Å; D377-R380 IonicContact OD2-NH1 2.67Å; D377-R380 PolarHBondContact OD2-NH1 2.79Å; D377-R380 IonicContact OD2-NH2 3.58Å
378	D	49.4	Very low	62.2	Low	149 Å²	149	82.3 Å²	82.3	80%	0.797	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-56.4	-29.3	-177.9	-81	-49.6	0	0	0	113.6	R380 T381	D378-R380 PolarHBondContact O-N 3.34Å; D378-T381 WeakPolarHBondContact O-CG2 3.39Å; D378-T381 PolarHBondContact O-N 2.82Å; D378-T381 PolarHBondContact O-OG1 3.12Å
379	S	49.9	Very low	62.3	Low	119 Å²	119	81.3 Å²	81.3	83%	0.832	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-65	-7.2	-178.8	-171.5	0	0	0	0	115.1	D377	D377-S379 PolarHBondContact O-N 3.24Å; D377-S379 VanDerWaalsContact O-N 3.09Å
380	R	52.4	Low	62.7	Low	108 Å²	108	83 Å²	83	41%	0.408	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-107.3	0.9	-177	-60.7	-164.4	-172.8	106.9	9.8	115.2	D377 D378 A382 S383 Q384	D377-R380 HydrophobicContact CB-CG 4.42Å; D377-R380 PolarHBondContact O-N 3.2Å; D377-R380 IonicContact OD2-CZ 2.64Å; D377-R380 IonicContact OD2-NH1 2.67Å; D377-R380 PolarHBondContact OD2-NH1 2.79Å; D377-R380 IonicContact OD2-NH2 3.58Å; D378-R380 PolarHBondContact O-N 3.34Å; R380-A382 VanDerWaalsContact C-N 3.35Å; R380-A382 PolarHBondContact O-N 2.99Å; R380-S383 PolarHBondContact O-OG 2.91Å; R380-Q384 WeakPolarHBondContact O-CG 3.37Å; R380-Q384 PolarHBondContact O-N 3.12Å
381	T	54.3	Low	63.3	Low	67 Å²	67	82.3 Å²	82.3	41%	0.411	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-24.3	-171.2	53.1	0	0	0	0	114.8	R371 D378	R371-T381 PolarHBondContact NH1-O 3.17Å; D378-T381 WeakPolarHBondContact O-CG2 3.39Å; D378-T381 PolarHBondContact O-N 2.82Å; D378-T381 PolarHBondContact O-OG1 3.12Å
382	A	55.8	Low	63.8	Low	66 Å²	66	79.1 Å²	79.1	55%	0.545	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-55.4	173.6	0	0	0	0	0	111.4	R380 Q384 L385 D386	R380-A382 VanDerWaalsContact C-N 3.35Å; R380-A382 PolarHBondContact O-N 2.99Å; A382-Q384 PolarHBondContact O-N 3.38Å; A382-Q384 VanDerWaalsContact O-N 3.08Å; A382-L385 WeakPolarHBondContact O-CA 3.49Å; A382-L385 VanDerWaalsContact O-CB 3.28Å; A382-L385 WeakPolarHBondContact O-CB 3.23Å; A382-L385 PolarHBondContact O-N 3.16Å; A382-D386 PolarHBondContact O-N 3.2Å; A382-D386 VanDerWaalsContact O-N 3.14Å
383	S	61.6	Low	64.6	Low	65 Å²	65	76 Å²	76	46%	0.455	42%	0.42	S	S	.	.	H	α-helix	trans	-57	-29.1	-179.5	46.9	0	0	0	0	114.2	R380 D386 E387	R380-S383 PolarHBondContact O-OG 2.91Å; S383-D386 WeakPolarHBondContact CA-OD2 3.42Å; S383-D386 PolarHBondContact O-N 2.78Å; S383-E387 WeakPolarHBondContact O-CB 3.16Å; S383-E387 PolarHBondContact O-N 2.85Å
384	Q	66.9	Low	65.9	Low	22 Å²	22	74 Å²	74	10%	0.103	40%	0.401	C	S	.	.	H	α-helix	trans	-74.8	-21.9	173.6	-67.8	167.6	-7.6	0	0	113.7	T370 R380 A382	T370-Q384 HydrophobicContact CG2-CB 4.27Å; R380-Q384 WeakPolarHBondContact O-CG 3.37Å; R380-Q384 PolarHBondContact O-N 3.12Å; A382-Q384 PolarHBondContact O-N 3.38Å; A382-Q384 VanDerWaalsContact O-N 3.08Å
385	L	74	Confident	67.4	Low	50 Å²	50	66.5 Å²	66.5	26%	0.262	37%	0.372	S	S	.	.	H	α-helix	trans	-75.5	-41.5	167.4	-168.7	60.7	0	0	0	110.1	L260 Y367 A382 F388 Q389	L260-L385 HydrophobicContact CD2-CD1 4.47Å; Y367-L385 HydrophobicContact CE2-CD1 4.23Å; A382-L385 WeakPolarHBondContact O-CA 3.49Å; A382-L385 VanDerWaalsContact O-CB 3.28Å; A382-L385 WeakPolarHBondContact O-CB 3.23Å; A382-L385 PolarHBondContact O-N 3.16Å; L385-F388 CarbonylContact O-C 3.59Å; L385-F388 PolarHBondContact O-N 3.43Å; L385-Q389 WeakPolarHBondContact O-CB 3.3Å; L385-Q389 PolarHBondContact O-N 3.15Å
386	D	73	Confident	69	Low	92 Å²	92	59.7 Å²	59.7	49%	0.492	34%	0.338	S	S	.	.	H	α-helix	trans	-62.7	-43.5	179.2	-55	-42	0	0	0	111.1	A382 S383 F388 Q389 E390	A382-D386 PolarHBondContact O-N 3.2Å; A382-D386 VanDerWaalsContact O-N 3.14Å; S383-D386 WeakPolarHBondContact CA-OD2 3.42Å; S383-D386 PolarHBondContact O-N 2.78Å; D386-F388 VanDerWaalsContact C-N 3.33Å; D386-F388 PolarHBondContact O-N 3.47Å; D386-Q389 CarbonylContact O-C 3.55Å; D386-Q389 WeakPolarHBondContact O-CB 3.21Å; D386-Q389 PolarHBondContact O-N 2.91Å; D386-Q389 VanDerWaalsContact O-N 3.14Å; D386-E390 WeakPolarHBondContact O-CB 3.49Å; D386-E390 PolarHBondContact O-N 3.29Å
387	E	74.1	Confident	70.6	Confident	110 Å²	110	59 Å²	59	51%	0.514	32%	0.321	S	S	.	.	H	α-helix	trans	-57.1	-42.4	172.5	-174.5	-175.3	167.3	0	0	112.2	T370 S383 C391	T370-E387 HydrophobicContact CG2-CB 4.32Å; T370-E387 HydrophobicContact CG2-CG 4.19Å; T370-E387 WeakPolarHBondContact CG2-OE2 3.46Å; S383-E387 WeakPolarHBondContact O-CB 3.16Å; S383-E387 PolarHBondContact O-N 2.85Å; E387-C391 WeakPolarHBondContact O-CB 3.44Å; E387-C391 PolarHBondContact O-N 3.49Å
388	F	79	Confident	72.4	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-72.7	-34.7	175.1	-178.2	-100.1	0	0	0	112.7	L260 F263 L363 C366 Y367 L385 D386 E390 C391 L392	L260-F388 HydrophobicContact CD1-CD1 3.74Å; L260-F388 HydrophobicContact CD1-CE1 3.73Å; F263-F388 AromaticContact CD1-CE1 3.71Å; F263-F388 HydrophobicContact CD1-CE1 3.71Å; F263-F388 AromaticContact CD1-CZ 3.98Å; F263-F388 HydrophobicContact CD1-CZ 3.98Å; F263-F388 AromaticContact CE1-CE1 3.48Å; F263-F388 HydrophobicContact CE1-CE1 3.48Å; F263-F388 VanDerWaalsContact CE1-CE1 3.48Å; F263-F388 HydrophobicContact CE1-CE2 4.48Å; F263-F388 AromaticContact CE1-CZ 3.42Å; F263-F388 HydrophobicContact CE1-CZ 3.42Å; F263-F388 VanDerWaalsContact CE1-CZ 3.42Å; F263-F388 HydrophobicContact CE2-CZ 4.39Å; F263-F388 HydrophobicContact CZ-CE1 4.2Å; F263-F388 AromaticContact CZ-CZ 3.66Å; F263-F388 HydrophobicContact CZ-CZ 3.66Å; L363-F388 HydrophobicContact CD2-CE2 4.4Å; L363-F388 HydrophobicContact CD2-CZ 4.35Å; L363-F388 WeakPolarHBondContact O-CE2 3.38Å; C366-F388 HydrophobicContact CB-CE2 4.32Å; Y367-F388 HydrophobicContact CD2-CB 4.37Å; Y367-F388 AromaticContact CD2-CD1 3.7Å; Y367-F388 HydrophobicContact CD2-CD1 3.7Å; Y367-F388 HydrophobicContact CD2-CD2 4.11Å; Y367-F388 AromaticContact CD2-CE1 3.97Å; Y367-F388 HydrophobicContact CD2-CE1 3.97Å; Y367-F388 HydrophobicContact CD2-CE2 4.37Å; Y367-F388 AromaticContact CD2-CG 3.77Å; Y367-F388 HydrophobicContact CD2-CG 3.77Å; Y367-F388 HydrophobicContact CD2-CZ 4.3Å; Y367-F388 HydrophobicContact CE2-CD1 4.4Å; L385-F388 CarbonylContact O-C 3.59Å; L385-F388 PolarHBondContact O-N 3.43Å; D386-F388 VanDerWaalsContact C-N 3.33Å; D386-F388 PolarHBondContact O-N 3.47Å; F388-E390 VanDerWaalsContact C-N 3.33Å; F388-C391 WeakPolarHBondContact O-CB 3.22Å; F388-C391 PolarHBondContact O-N 3.09Å; F388-L392 HydrophobicContact CE1-CD1 4.09Å; F388-L392 HydrophobicContact CZ-CD1 4.35Å; F388-L392 WeakPolarHBondContact O-CB 3.43Å; F388-L392 PolarHBondContact O-N 3.3Å
389	Q	79.3	Confident	73.9	Confident	32 Å²	32	52.3 Å²	52.3	15%	0.15	28%	0.284	C	S	.	.	H	α-helix	trans	-65.4	-37.3	174.6	175.8	167.8	-42.5	0	0	111.3	Q256 L260 L385 D386 S393	Q256-Q389 VanDerWaalsContact NE2-CG 3.27Å; Q256-Q389 PolarHBondContact NE2-O 3.28Å; L260-Q389 HydrophobicContact CD2-CB 4.07Å; L260-Q389 HydrophobicContact CD2-CG 4.25Å; L385-Q389 WeakPolarHBondContact O-CB 3.3Å; L385-Q389 PolarHBondContact O-N 3.15Å; D386-Q389 CarbonylContact O-C 3.55Å; D386-Q389 WeakPolarHBondContact O-CB 3.21Å; D386-Q389 PolarHBondContact O-N 2.91Å; D386-Q389 VanDerWaalsContact O-N 3.14Å; Q389-S393 WeakPolarHBondContact O-CB 3.25Å; Q389-S393 PolarHBondContact O-N 2.75Å
390	E	82.3	Confident	75.6	Confident	100 Å²	100	48.8 Å²	48.8	47%	0.467	26%	0.26	S	S	.	.	H	α-helix	trans	-66.4	-46.7	172.3	-168.8	-169.4	152.4	0	0	111.1	D386 F388 L392 S393 K394	D386-E390 WeakPolarHBondContact O-CB 3.49Å; D386-E390 PolarHBondContact O-N 3.29Å; F388-E390 VanDerWaalsContact C-N 3.33Å; E390-L392 VanDerWaalsContact C-N 3.33Å; E390-L392 PolarHBondContact O-N 3.08Å; E390-S393 WeakPolarHBondContact O-CA 3.31Å; E390-S393 WeakPolarHBondContact O-CB 3.34Å; E390-S393 PolarHBondContact O-N 3.42Å; E390-K394 HydrophobicContact CG-CD 4.24Å; E390-K394 PolarHBondContact O-N 2.85Å; E390-K394 WeakPolarHBondContact OE1-CE 3.27Å; E390-K394 IonicContact OE1-NZ 2.85Å; E390-K394 PolarHBondContact OE1-NZ 3.36Å
391	C	82.7	Confident	77.4	Confident	8 Å²	8	45.7 Å²	45.7	5%	0.054	25%	0.252	C	S	.	.	H	α-helix	trans	-54.2	-47.8	173.4	175.4	0	0	0	0	112	C366 E387 F388 S393 K394 F395 Y664	C366-C391 VanDerWaalsContact SG-SG 3.67Å; E387-C391 WeakPolarHBondContact O-CB 3.44Å; E387-C391 PolarHBondContact O-N 3.49Å; F388-C391 WeakPolarHBondContact O-CB 3.22Å; F388-C391 PolarHBondContact O-N 3.09Å; C391-S393 VanDerWaalsContact C-N 3.33Å; C391-S393 PolarHBondContact O-N 2.63Å; C391-K394 PolarHBondContact O-N 3.09Å; C391-F395 WeakPolarHBondContact O-CB 3.43Å; C391-F395 PolarHBondContact O-N 2.8Å; C391-Y664 WeakPolarHBondContact CA-OH 3.32Å
392	L	81.4	Confident	79.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67.5	-32.1	176.4	-171.4	146.3	0	0	0	112.1	Q256 I259 L356 F388 E390 T396	Q256-L392 HydrophobicContact CG-CD2 4.31Å; I259-L392 HydrophobicContact CB-CD2 4.43Å; I259-L392 HydrophobicContact CG2-CD1 4.33Å; I259-L392 HydrophobicContact CG2-CD2 3.98Å; L356-L392 HydrophobicContact CD1-CD1 3.92Å; F388-L392 HydrophobicContact CE1-CD1 4.09Å; F388-L392 HydrophobicContact CZ-CD1 4.35Å; F388-L392 WeakPolarHBondContact O-CB 3.43Å; F388-L392 PolarHBondContact O-N 3.3Å; E390-L392 VanDerWaalsContact C-N 3.33Å; E390-L392 PolarHBondContact O-N 3.08Å; L392-T396 WeakPolarHBondContact O-CB 3.46Å; L392-T396 WeakPolarHBondContact O-CG2 3.43Å; L392-T396 PolarHBondContact O-N 2.87Å; L392-T396 PolarHBondContact O-OG1 2.88Å
393	S	83.5	Confident	80.9	Confident	43 Å²	43	49.2 Å²	49.2	30%	0.301	25%	0.252	S	S	.	.	H	α-helix	trans	-62.1	-56.8	171.3	-153.1	0	0	0	0	111.1	Q256 Q389 E390 C391 F395 T396 R397	Q256-S393 VanDerWaalsContact NE2-CB 3.3Å; Q256-S393 PolarHBondContact NE2-OG 2.84Å; Q389-S393 WeakPolarHBondContact O-CB 3.25Å; Q389-S393 PolarHBondContact O-N 2.75Å; E390-S393 WeakPolarHBondContact O-CA 3.31Å; E390-S393 WeakPolarHBondContact O-CB 3.34Å; E390-S393 PolarHBondContact O-N 3.42Å; C391-S393 VanDerWaalsContact C-N 3.33Å; C391-S393 PolarHBondContact O-N 2.63Å; S393-F395 VanDerWaalsContact C-N 3.32Å; S393-F395 PolarHBondContact O-N 3.47Å; S393-T396 CarbonylContact O-C 3.53Å; S393-T396 PolarHBondContact O-N 2.84Å; S393-T396 PolarHBondContact O-OG1 2.84Å; S393-R397 PolarHBondContact O-N 3.23Å
394	K	84.9	Confident	82.4	Confident	46 Å²	46	48.8 Å²	48.8	20%	0.2	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-37.7	-177.3	-71.3	176.4	169.8	177.6	0	111.9	E390 C391 D649 Y650 Y664	E390-K394 HydrophobicContact CG-CD 4.24Å; E390-K394 PolarHBondContact O-N 2.85Å; E390-K394 WeakPolarHBondContact OE1-CE 3.27Å; E390-K394 IonicContact OE1-NZ 2.85Å; E390-K394 PolarHBondContact OE1-NZ 3.36Å; C391-K394 PolarHBondContact O-N 3.09Å; K394-D649 WeakPolarHBondContact CD-OD2 3.32Å; K394-D649 WeakPolarHBondContact CE-OD2 3.17Å; K394-D649 IonicContact NZ-OD2 3.51Å; K394-D649 PolarHBondContact NZ-OD2 3.03Å; K394-Y650 WeakPolarHBondContact CA-OH 3.42Å; K394-Y650 PolarHBondContact O-OH 2.61Å; K394-Y664 HydrophobicContact CB-CD2 3.97Å; K394-Y664 HydrophobicContact CB-CE2 3.51Å; K394-Y664 HydrophobicContact CD-CE2 3.98Å; K394-Y664 HydrophobicContact CG-CE2 4.36Å
395	F	84.3	Confident	83.5	Confident	1 Å²	1	48.2 Å²	48.2	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-40.5	171.6	172.4	-115.6	0	0	0	113.3	R355 H359 L363 C391 S393 Y664 L667 L671	R355-F395 HydrophobicContact CB-CE1 4.39Å; R355-F395 HydrophobicContact CB-CZ 4.26Å; H359-F395 HydrophobicContact CB-CE1 4.11Å; H359-F395 HydrophobicContact CB-CZ 3.76Å; H359-F395 AromaticContact CD2-CZ 3.58Å; H359-F395 AromaticContact CE1-CE2 3.79Å; H359-F395 AromaticContact CE1-CZ 3.93Å; H359-F395 AromaticContact CG-CE2 3.9Å; H359-F395 AromaticContact CG-CZ 3.37Å; H359-F395 AromaticContact ND1-CE2 3.62Å; H359-F395 AromaticContact ND1-CZ 3.61Å; H359-F395 AromaticContact NE2-CZ 3.94Å; L363-F395 HydrophobicContact CD1-CD1 4.38Å; L363-F395 HydrophobicContact CD1-CE1 4.17Å; L363-F395 HydrophobicContact CD2-CD1 4.35Å; C391-F395 WeakPolarHBondContact O-CB 3.43Å; C391-F395 PolarHBondContact O-N 2.8Å; S393-F395 VanDerWaalsContact C-N 3.32Å; S393-F395 PolarHBondContact O-N 3.47Å; F395-Y664 HydrophobicContact CB-CD1 4.41Å; F395-L667 HydrophobicContact CB-CD1 3.73Å; F395-L667 HydrophobicContact CD1-CD1 4.04Å; F395-L667 HydrophobicContact CD2-CD1 3.41Å; F395-L667 VanDerWaalsContact CD2-CD1 3.41Å; F395-L667 HydrophobicContact CE2-CD1 4.05Å; F395-L667 HydrophobicContact CG-CD1 3.42Å; F395-L667 VanDerWaalsContact CG-CD1 3.42Å; F395-L671 HydrophobicContact CD2-CD1 4.24Å; F395-L671 HydrophobicContact CD2-CG 3.94Å; F395-L671 HydrophobicContact CE2-CG 4.04Å
396	T	82.8	Confident	84.3	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.018	25%	0.247	C	C	.	.	H	α-helix	trans	-90.3	-8.8	-176.2	60.1	0	0	0	0	115.1	R355 L392 S393	R355-T396 PolarHBondContact NH2-O 2.95Å; L392-T396 WeakPolarHBondContact O-CB 3.46Å; L392-T396 WeakPolarHBondContact O-CG2 3.43Å; L392-T396 PolarHBondContact O-N 2.87Å; L392-T396 PolarHBondContact O-OG1 2.88Å; S393-T396 CarbonylContact O-C 3.53Å; S393-T396 PolarHBondContact O-N 2.84Å; S393-T396 PolarHBondContact O-OG1 2.84Å
397	R	84	Confident	85.2	Confident	81 Å²	81	44.4 Å²	44.4	31%	0.306	23%	0.225	S	C	.	.	S	Bend	trans	-47.8	-75	-178.7	-179.1	-179.4	174.4	131.8	-8.2	112.7	S393 Y650 E708 N710	S393-R397 PolarHBondContact O-N 3.23Å; R397-Y650 WeakPolarHBondContact CD-OH 2.9Å; R397-E708 IonicContact CZ-OE1 2.72Å; R397-E708 IonicContact CZ-OE2 2.71Å; R397-E708 IonicContact NH1-OE1 2.63Å; R397-E708 PolarHBondContact NH1-OE1 3.22Å; R397-E708 IonicContact NH1-OE2 2.64Å; R397-E708 PolarHBondContact NH1-OE2 2.95Å; R397-E708 IonicContact NH2-OE1 2.75Å; R397-E708 IonicContact NH2-OE2 3.91Å; R397-E708 PolarHBondContact NH2-OE2 3.04Å; R397-N710 PolarHBondContact NH2-OD1 2.87Å
398	Y	84.7	Confident	85.9	Confident	7 Å²	7	42.5 Å²	42.5	3%	0.027	22%	0.224	C	C	.	.			trans	-79.6	145.2	177.9	-50.3	-57.6	0	0	0	110.3	R355 Y650 N710 L726	R355-Y398 PolarHBondContact NH1-O 3.19Å; Y398-Y650 HydrophobicContact CD2-CD1 4.44Å; Y398-Y650 AromaticContact CD2-CE1 3.96Å; Y398-Y650 HydrophobicContact CD2-CE1 3.96Å; Y398-Y650 HydrophobicContact CD2-CE2 4.5Å; Y398-Y650 AromaticContact CD2-CZ 3.99Å; Y398-Y650 HydrophobicContact CE2-CD1 4.33Å; Y398-Y650 HydrophobicContact CE2-CD2 4.09Å; Y398-Y650 AromaticContact CE2-CE1 3.92Å; Y398-Y650 HydrophobicContact CE2-CE1 3.92Å; Y398-Y650 AromaticContact CE2-CE2 3.66Å; Y398-Y650 HydrophobicContact CE2-CE2 3.66Å; Y398-Y650 HydrophobicContact CE2-CG 4.41Å; Y398-Y650 AromaticContact CE2-CZ 3.56Å; Y398-N710 HydrophobicContact CE1-CB 4.24Å; Y398-N710 PolarHBondContact OH-OD1 2.8Å; Y398-L726 HydrophobicContact CD1-CB 3.51Å; Y398-L726 HydrophobicContact CD2-CB 4.02Å; Y398-L726 HydrophobicContact CD2-CD1 3.7Å; Y398-L726 HydrophobicContact CE1-CB 3.85Å; Y398-L726 HydrophobicContact CE2-CB 4.3Å; Y398-L726 HydrophobicContact CE2-CD1 3.8Å; Y398-L726 HydrophobicContact CG-CB 3.61Å; Y398-L726 HydrophobicContact CG-CD1 4.15Å
399	N	82	Confident	86.3	Confident	79 Å²	79	42.5 Å²	42.5	42%	0.422	22%	0.224	S	C	.	.			trans	-130.7	-15.2	-176.6	79	98.2	0	0	0	113.9	L672 V727	N399-L672 WeakPolarHBondContact O-CD2 3.43Å; N399-V727 CarbonylContact C-O 3.57Å; N399-V727 WeakPolarHBondContact CA-O 3.34Å; N399-V727 PolarHBondContact N-O 3.25Å; N399-V727 PolarHBondContact ND2-O 2.67Å; N399-V727 PolarHBondContact ND2-OXT 2.73Å
400	S	84.6	Confident	86.4	Confident	45 Å²	45	42.5 Å²	42.5	32%	0.315	23%	0.229	S	C	.	.			trans	-154.3	175	-172.5	62.3	0	0	0	0	110.6	V727	S400-V727 CarbonylContact C-O 3.53Å; S400-V727 WeakPolarHBondContact CA-O 3.36Å; S400-V727 PolarHBondContact N-O 3.08Å; S400-V727 PolarHBondContact O-N 2.84Å; S400-V727 PolarHBondContact OG-O 3.06Å
401	V	91.3	Very high	85.5	Confident	42 Å²	42	40.8 Å²	40.8	26%	0.255	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	127.5	-176.7	-70.8	0	0	0	0	108.2	L672 F674 E725 L726	V401-L672 HydrophobicContact CG1-CB 4.42Å; V401-L672 HydrophobicContact CG1-CD1 4.04Å; V401-F674 HydrophobicContact CB-CD2 4.43Å; V401-F674 HydrophobicContact CG2-CB 3.97Å; V401-F674 HydrophobicContact CG2-CD2 3.72Å; V401-F674 HydrophobicContact CG2-CG 4.3Å; V401-E725 CarbonylContact C-O 3.48Å; V401-E725 WeakPolarHBondContact CA-O 3.25Å; V401-L726 HydrophobicContact CG1-CD2 3.72Å
402	R	91.6	Very high	84.4	Confident	149 Å²	149	44.2 Å²	44.2	56%	0.562	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.5	-177	-179.5	-175.9	-179.3	-170.3	1	110.1	L404 L724 E725 V727	R402-L404 HydrophobicContact CG-CD2 4.39Å; R402-L404 PolarHBondContact O-N 3.25Å; R402-L724 WeakPolarHBondContact O-CA 3.48Å; R402-E725 HydrophobicContact CB-CB 4.35Å; R402-E725 WeakPolarHBondContact CD-OE2 3.42Å; R402-E725 PolarHBondContact N-O 3.49Å; R402-E725 IonicContact NH1-OE2 3.75Å; R402-E725 PolarHBondContact O-N 2.92Å; R402-V727 HydrophobicContact CB-CG2 4.29Å
403	P	91.8	Very high	83.1	Confident	59 Å²	59	52.8 Å²	52.8	38%	0.383	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	129.1	164.7	-20.3	33.5	0	0	0	110.8	F674 V723 L724	P403-F674 HydrophobicContact CG-CE2 3.92Å; P403-F674 HydrophobicContact CG-CZ 4.2Å; P403-V723 WeakPolarHBondContact CA-O 3.08Å; P403-L724 HydrophobicContact CB-CD2 4.19Å; P403-L724 HydrophobicContact CG-CD2 4.09Å
404	L	91.3	Very high	81.9	Confident	56 Å²	56	61.5 Å²	61.5	29%	0.293	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-46.6	171.4	-59.9	-175.2	0	0	0	110.8	R402 I450 V711 V723 E725	R402-L404 HydrophobicContact CG-CD2 4.39Å; R402-L404 PolarHBondContact O-N 3.25Å; L404-I450 HydrophobicContact CB-CG2 4.23Å; L404-I450 HydrophobicContact CD1-CG2 4.39Å; L404-V711 HydrophobicContact CD1-CG2 4.37Å; L404-V723 HydrophobicContact CB-CB 4.3Å; L404-V723 HydrophobicContact CB-CG1 4.18Å; L404-V723 HydrophobicContact CD1-CG1 4.21Å; L404-V723 PolarHBondContact N-O 2.98Å; L404-E725 HydrophobicContact CD1-CB 4.11Å; L404-E725 HydrophobicContact CD2-CB 4.06Å; L404-E725 HydrophobicContact CG-CB 4.03Å
405	A	91.2	Very high	80.5	Confident	10 Å²	10	63.1 Å²	63.1	8%	0.083	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.9	-179.1	0	0	0	0	0	111.5	V449 K722 V723	A405-V449 HydrophobicContact CB-CG1 3.8Å; A405-V449 WeakPolarHBondContact CB-O 3.48Å; A405-K722 WeakPolarHBondContact O-CA 3.36Å; A405-V723 HydrophobicContact CB-CB 4.25Å; A405-V723 HydrophobicContact CB-CG2 4.05Å; A405-V723 PolarHBondContact O-N 2.98Å
406	T	91.2	Very high	79.7	Confident	55 Å²	55	67.3 Å²	67.3	34%	0.337	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	124.9	174.9	-57.8	0	0	0	0	109.7	H457 T720 I721 K722	T406-H457 PolarHBondContact O-CD2 3.19Å; T406-T720 HydrophobicContact CG2-CG2 4.03Å; T406-I721 CarbonylContact C-O 3.57Å; T406-I721 WeakPolarHBondContact CA-O 3.43Å; T406-K722 HydrophobicContact CG2-CG 3.98Å; T406-K722 PolarHBondContact OG1-NZ 3.23Å
407	L	90.8	Very high	79.8	Confident	7 Å²	7	69.5 Å²	69.5	4%	0.037	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	155	-179.3	-42.4	85.3	0	0	0	111	F432 Y444 V449 H457 I721 V723	L407-F432 HydrophobicContact CD2-CZ 4.15Å; L407-Y444 HydrophobicContact CD2-CD1 3.92Å; L407-Y444 HydrophobicContact CD2-CE1 3.87Å; L407-Y444 HydrophobicContact CD2-CG 4.29Å; L407-V449 HydrophobicContact CD1-CG1 3.95Å; L407-V449 HydrophobicContact CD2-CG1 3.93Å; L407-V449 HydrophobicContact CD2-CG2 3.86Å; L407-V449 HydrophobicContact CG-CG1 4.22Å; L407-H457 HydrophobicContact CD2-CB 3.92Å; L407-H457 HydrophobicContact CG-CB 4.36Å; L407-I721 HydrophobicContact CB-CB 4.15Å; L407-I721 HydrophobicContact CB-CD1 3.98Å; L407-I721 HydrophobicContact CD1-CB 4.1Å; L407-I721 HydrophobicContact CD1-CG2 3.84Å; L407-I721 PolarHBondContact N-O 3.05Å; L407-I721 PolarHBondContact O-N 3.31Å; L407-V723 HydrophobicContact CD1-CG2 4.28Å
408	S	89.6	Confident	80.1	Confident	69 Å²	69	66.5 Å²	66.5	48%	0.483	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.4	168.3	177.1	0	0	0	0	111.3	A410	S408-A410 VanDerWaalsContact C-N 3.34Å; S408-A410 PolarHBondContact OG-N 3.04Å; S408-A410 PolarHBondContact OG-O 3.45Å; S408-A410 VanDerWaalsContact OG-O 3.07Å
409	Y	87.1	Confident	80.5	Confident	1 Å²	1	68.2 Å²	68.2	0%	0.004	39%	0.389	C	S	.	.	S	Bend	trans	-72.7	-29	170.3	-171.2	-117.4	0	0	0	112.4	S411 S418 V420 I434 G436 T438 K440 K442 G719	Y409-S411 PolarHBondContact O-N 3.13Å; Y409-S418 WeakPolarHBondContact CD1-O 3.44Å; Y409-V420 HydrophobicContact CD1-CG2 3.73Å; Y409-V420 HydrophobicContact CD2-CG2 3.95Å; Y409-V420 HydrophobicContact CE1-CG2 4.32Å; Y409-V420 HydrophobicContact CG-CG2 3.51Å; Y409-I434 HydrophobicContact CD2-CB 4.23Å; Y409-I434 HydrophobicContact CD2-CG2 3.53Å; Y409-I434 HydrophobicContact CE2-CB 4.14Å; Y409-I434 HydrophobicContact CE2-CG2 3.66Å; Y409-I434 HydrophobicContact CG-CG2 4.44Å; Y409-G436 PolarHBondContact OH-N 2.96Å; Y409-T438 HydrophobicContact CD1-CG2 4.02Å; Y409-T438 HydrophobicContact CE1-CG2 3.65Å; Y409-T438 WeakPolarHBondContact CE1-OG1 3.33Å; Y409-T438 PolarHBondContact OH-OG1 3.04Å; Y409-K440 PolarHBondContact OH-O 3.16Å; Y409-K442 HydrophobicContact CD2-CD 4.3Å; Y409-K442 HydrophobicContact CE2-CD 4.36Å; Y409-K442 PolarHBondContact O-NZ 3.39Å; Y409-G719 WeakPolarHBondContact CB-O 3.49Å; Y409-G719 PolarHBondContact N-O 3.38Å
410	A	81.4	Confident	81.2	Confident	31 Å²	31	64.4 Å²	64.4	26%	0.256	37%	0.369	S	S	.	.			trans	-77.2	116.1	179.2	0	0	0	0	0	111.3	S408	S408-A410 VanDerWaalsContact C-N 3.34Å; S408-A410 PolarHBondContact OG-N 3.04Å; S408-A410 PolarHBondContact OG-O 3.45Å; S408-A410 VanDerWaalsContact OG-O 3.07Å
411	S	63.6	Low	81.8	Confident	64 Å²	64	63.3 Å²	63.3	45%	0.448	36%	0.361	S	S	.	.			trans	-82.1	-27.8	170.9	-52.7	0	0	0	0	112.9	Y409 K442	Y409-S411 PolarHBondContact O-N 3.13Å; S411-K442 PolarHBondContact OG-NZ 2.96Å
412	D	59.4	Low	82.1	Confident	81 Å²	81	61.8 Å²	61.8	43%	0.433	35%	0.352	S	S	.	.			trans	-127	126	-166.4	-56.1	-76.9	0	0	0	111.2	Y414 N415	D412-Y414 PolarHBondContact O-N 3.24Å; D412-N415 PolarHBondContact O-N 2.98Å
413	L	55.2	Low	82.4	Confident	180 Å²	180	54.8 Å²	54.8	94%	0.942	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-8	178.3	-70.9	82.7	0	0	0	113.9
414	Y	57.1	Low	82.7	Confident	225 Å²	225	53.5 Å²	53.5	88%	0.882	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-9.2	-178.5	-67.1	-79	0	0	0	114.1	D412 G416	D412-Y414 PolarHBondContact O-N 3.24Å; Y414-G416 PolarHBondContact O-N 2.95Å
415	N	55.7	Low	82.9	Confident	80 Å²	80	51.7 Å²	51.7	43%	0.428	31%	0.305	S	S	.	.			trans	-82	101	177.7	-90	-20	0	0	0	110.9	D412 S417	D412-N415 PolarHBondContact O-N 2.98Å; N415-S417 PolarHBondContact O-N 3.08Å
416	G	66.9	Low	83.1	Confident	90 Å²	90	51.5 Å²	51.5	93%	0.928	30%	0.302	S	S	*	.	S	Bend	trans	-66.3	12.5	-178.4	0	0	0	0	0	117.1	Y414	Y414-G416 PolarHBondContact O-N 2.95Å
417	S	84.6	Confident	83.2	Confident	49 Å²	49	54.3 Å²	54.3	34%	0.343	31%	0.307	S	S	.	.			trans	-162.2	130.3	167.9	-169.6	0	0	0	0	110.8	N415 V437	N415-S417 PolarHBondContact O-N 3.08Å; S417-V437 WeakPolarHBondContact O-CG2 3.44Å
418	S	91	Very high	83.3	Confident	17 Å²	17	56.3 Å²	56.3	12%	0.119	32%	0.317	C	S	.	.			trans	-127.4	20.1	-172.5	40.3	0	0	0	0	112.8	Y409 V420 Q718 G719	Y409-S418 WeakPolarHBondContact CD1-O 3.44Å; S418-V420 PolarHBondContact O-N 2.89Å; S418-V420 VanDerWaalsContact O-N 3.16Å; S418-Q718 WeakPolarHBondContact CB-O 3.45Å; S418-Q718 PolarHBondContact OG-O 3.23Å; S418-G719 WeakPolarHBondContact O-CA 3.38Å; S418-G719 PolarHBondContact O-N 2.98Å
419	I	93.6	Very high	83.5	Confident	43 Å²	43	53.3 Å²	53.3	22%	0.221	30%	0.296	C	S	.	.			trans	-55.9	117.7	180	-53.5	165.6	0	0	0	110.7	V437 F695 S717	I419-V437 HydrophobicContact CB-CG1 4.04Å; I419-V437 HydrophobicContact CB-CG2 3.94Å; I419-V437 HydrophobicContact CG1-CG2 4.46Å; I419-V437 PolarHBondContact O-N 2.84Å; I419-V437 VanDerWaalsContact O-N 3.08Å; I419-F695 HydrophobicContact CD1-CZ 4.36Å; I419-F695 HydrophobicContact CG2-CZ 4.27Å; I419-S717 WeakPolarHBondContact CG1-O 3.3Å; I419-S717 PolarHBondContact N-O 2.91Å
420	V	96.3	Very high	83.8	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	123.5	166.6	175.6	0	0	0	0	108.1	Y409 S418 I423 I434 S697 A698 A715 I721	Y409-V420 HydrophobicContact CD1-CG2 3.73Å; Y409-V420 HydrophobicContact CD2-CG2 3.95Å; Y409-V420 HydrophobicContact CE1-CG2 4.32Å; Y409-V420 HydrophobicContact CG-CG2 3.51Å; S418-V420 PolarHBondContact O-N 2.89Å; S418-V420 VanDerWaalsContact O-N 3.16Å; V420-I423 HydrophobicContact CG1-CD1 4.23Å; V420-I423 HydrophobicContact CG1-CG1 3.76Å; V420-I434 HydrophobicContact CB-CG2 4.33Å; V420-I434 HydrophobicContact CG1-CG2 3.52Å; V420-I434 HydrophobicContact CG2-CG2 3.8Å; V420-S697 VanDerWaalsContact O-CB 3.24Å; V420-S697 WeakPolarHBondContact O-CB 3.37Å; V420-S697 PolarHBondContact O-OG 2.8Å; V420-A698 HydrophobicContact CG1-CB 3.79Å; V420-A715 HydrophobicContact CB-CB 3.84Å; V420-A715 HydrophobicContact CG1-CB 4.02Å; V420-A715 HydrophobicContact CG2-CB 3.95Å; V420-I721 HydrophobicContact CG2-CG1 4.36Å
421	S	96.8	Very high	84.5	Confident	21 Å²	21	56.5 Å²	56.5	15%	0.147	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-25.9	179.5	72	0	0	0	0	112.8	A435 I469 S470	S421-A435 PolarHBondContact N-O 2.96Å; S421-A435 PolarHBondContact OG-O 2.84Å; S421-I469 PolarHBondContact OG-O 2.79Å; S421-S470 VanDerWaalsContact CB-O 3.23Å; S421-S470 WeakPolarHBondContact CB-O 3.46Å; S421-S470 VanDerWaalsContact OG-C 3.29Å; S421-S470 PolarHBondContact OG-O 3.38Å
422	S	97.6	Very high	86.1	Confident	10 Å²	10	53.5 Å²	53.5	7%	0.07	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	139.6	-173.3	-174.5	0	0	0	0	111.2	A435 I472	S422-A435 PolarHBondContact N-O 2.78Å; S422-A435 PolarHBondContact O-N 3.02Å; S422-I472 VanDerWaalsContact OG-CG1 3.26Å; S422-I472 WeakPolarHBondContact OG-CG1 3.27Å; S422-I472 PolarHBondContact OG-N 3.11Å; S422-I472 VanDerWaalsContact OG-N 3.15Å
423	I	98.1	Very high	88	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.015	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	131.1	172.3	-54.3	170.6	0	0	0	104.9	V420 F432 A433 I434 A698 C700 I713 A715	V420-I423 HydrophobicContact CG1-CD1 4.23Å; V420-I423 HydrophobicContact CG1-CG1 3.76Å; I423-F432 HydrophobicContact CG2-CD2 4.36Å; I423-A433 WeakPolarHBondContact CA-O 3.15Å; I423-I434 HydrophobicContact CG1-CG2 4.33Å; I423-A698 HydrophobicContact CD1-CB 4.06Å; I423-A698 HydrophobicContact CG1-CB 3.92Å; I423-C700 HydrophobicContact CB-CB 4.16Å; I423-C700 HydrophobicContact CG2-CB 4.12Å; I423-C700 VanDerWaalsContact O-CB 3.31Å; I423-C700 WeakPolarHBondContact O-CB 3.42Å; I423-I713 HydrophobicContact CD1-CG2 3.95Å; I423-I713 HydrophobicContact CG2-CB 4.41Å; I423-I713 HydrophobicContact CG2-CG2 4.34Å; I423-A715 HydrophobicContact CD1-CB 3.81Å
424	E	97.6	Very high	90	Very high	32 Å²	32	41 Å²	41	15%	0.15	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	143	168.2	-62.6	-69.2	-171.6	0	0	109.2	A433 I472 W474 K602 C700	E424-A433 PolarHBondContact N-O 3.16Å; E424-A433 PolarHBondContact O-N 2.67Å; E424-I472 WeakPolarHBondContact CG-O 3.46Å; E424-W474 PolarHBondContact O-NE1 3.49Å; E424-W474 VanDerWaalsContact O-NE1 3.12Å; E424-K602 IonicContact OE1-NZ 3.21Å; E424-K602 PolarHBondContact OE1-NZ 3.48Å; E424-K602 IonicContact OE2-NZ 3.24Å; E424-C700 PolarHBondContact OE2-SG 2.6Å
425	F	96.7	Very high	91.9	Very high	18 Å²	18	30.3 Å²	30.3	8%	0.079	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	154	172.1	-81.9	-88.2	0	0	0	111.7	C429 Y431 F432 Y446 R702 I713	F425-C429 HydrophobicContact CD1-CB 4.09Å; F425-Y431 WeakPolarHBondContact CA-O 3.47Å; F425-Y431 WeakPolarHBondContact CD1-O 3.15Å; F425-F432 HydrophobicContact CD1-CB 3.84Å; F425-F432 HydrophobicContact CE1-CB 3.92Å; F425-F432 HydrophobicContact CE1-CD1 4.33Å; F425-F432 HydrophobicContact CE1-CG 4.41Å; F425-F432 HydrophobicContact CG-CB 4.18Å; F425-F432 HydrophobicContact CZ-CB 4.32Å; F425-Y446 AromaticContact CE1-CD2 3.75Å; F425-Y446 HydrophobicContact CE1-CD2 3.75Å; F425-Y446 HydrophobicContact CE1-CG 4.24Å; F425-Y446 AromaticContact CZ-CD2 3.92Å; F425-Y446 HydrophobicContact CZ-CD2 3.92Å; F425-Y446 HydrophobicContact CZ-CE2 4.33Å; F425-R702 HydrophobicContact CD1-CG 4.06Å; F425-R702 HydrophobicContact CD2-CB 4.16Å; F425-R702 HydrophobicContact CD2-CG 4.43Å; F425-R702 HydrophobicContact CE1-CB 4.09Å; F425-R702 HydrophobicContact CE1-CG 3.62Å; F425-R702 HydrophobicContact CE2-CB 3.57Å; F425-R702 HydrophobicContact CE2-CG 4.03Å; F425-R702 HydrophobicContact CG-CG 4.44Å; F425-R702 HydrophobicContact CZ-CB 3.51Å; F425-R702 HydrophobicContact CZ-CG 3.6Å; F425-I713 HydrophobicContact CE1-CD1 4.27Å; F425-I713 HydrophobicContact CE2-CD1 3.83Å; F425-I713 HydrophobicContact CE2-CG1 3.94Å; F425-I713 HydrophobicContact CZ-CD1 3.42Å; F425-I713 VanDerWaalsContact CZ-CD1 3.42Å; F425-I713 HydrophobicContact CZ-CG1 3.85Å
426	D	95.9	Very high	93.8	Very high	5 Å²	5	26.5 Å²	26.5	3%	0.027	16%	0.157	C	C	.	.			trans	-67.1	172.8	165.8	94.3	-77	0	0	0	111.5	D428 C429 D430 Y431 W474 K479	D426-D428 VanDerWaalsContact C-N 3.26Å; D426-D428 PolarHBondContact O-N 2.83Å; D426-D428 PolarHBondContact OD2-N 2.91Å; D426-C429 PolarHBondContact O-N 2.98Å; D426-C429 WeakPolarHBondContact OD1-CA 3.38Å; D426-C429 PolarHBondContact OD1-N 3.11Å; D426-C429 VanDerWaalsContact OD1-N 3.09Å; D426-D430 PolarHBondContact OD1-N 3.36Å; D426-Y431 PolarHBondContact N-O 2.85Å; D426-Y431 PolarHBondContact OD1-N 2.86Å; D426-W474 HydrophobicContact CB-CD2 4Å; D426-W474 HydrophobicContact CB-CE3 4.25Å; D426-W474 HydrophobicContact CB-CG 4.33Å; D426-W474 HydrophobicContact CB-CZ2 4.43Å; D426-K479 VanDerWaalsContact OD2-CE 3.25Å; D426-K479 WeakPolarHBondContact OD2-CE 3.29Å; D426-K479 WeakPolarHBondContact OD2-CG 3.2Å
427	R	91.9	Very high	95.1	Very high	115 Å²	115	23 Å²	23	43%	0.434	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-39.9	-179.2	-171.9	-162.3	71.9	-173.7	1.1	113.3	S476 Y477	R427-S476 WeakPolarHBondContact CD-O 3.32Å; R427-S476 WeakPolarHBondContact CG-O 3.45Å; R427-Y477 PolarHBondContact NH1-O 2.88Å
428	D	92.6	Very high	95.5	Very high	48 Å²	48	21.8 Å²	21.8	26%	0.257	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-8.5	-173.9	-60.9	-19.7	0	0	0	112.3	D426 D430 K479	D426-D428 VanDerWaalsContact C-N 3.26Å; D426-D428 PolarHBondContact O-N 2.83Å; D426-D428 PolarHBondContact OD2-N 2.91Å; D428-D430 PolarHBondContact O-N 3Å; D428-K479 WeakPolarHBondContact OD2-CD 3.4Å; D428-K479 VanDerWaalsContact OD2-CE 3.31Å; D428-K479 WeakPolarHBondContact OD2-CE 3.3Å; D428-K479 IonicContact OD2-NZ 3.79Å; D428-K479 PolarHBondContact OD2-NZ 2.9Å
429	C	93.9	Very high	95.6	Very high	6 Å²	6	25.2 Å²	25.2	4%	0.041	12%	0.121	C	C	.	.	S	Bend	trans	62.4	25.3	-172.7	-70.4	0	0	0	0	114.5	F425 D426 R702 L704	F425-C429 HydrophobicContact CD1-CB 4.09Å; D426-C429 PolarHBondContact O-N 2.98Å; D426-C429 WeakPolarHBondContact OD1-CA 3.38Å; D426-C429 PolarHBondContact OD1-N 3.11Å; D426-C429 VanDerWaalsContact OD1-N 3.09Å; C429-R702 HydrophobicContact CB-CG 3.67Å; C429-R702 VanDerWaalsContact O-CZ 3.26Å; C429-R702 PolarHBondContact O-NE 3.36Å; C429-R702 PolarHBondContact O-NH2 3.06Å; C429-L704 HydrophobicContact CB-CD2 4.03Å
430	D	93.9	Very high	95.7	Very high	58 Å²	58	25.3 Å²	25.3	31%	0.31	12%	0.12	S	C	.	.	S	Bend	trans	-83.5	-33.2	172.9	-62.5	-25.3	0	0	0	111	D426 D428 Y446 K479	D426-D430 PolarHBondContact OD1-N 3.36Å; D428-D430 PolarHBondContact O-N 3Å; D430-Y446 WeakPolarHBondContact O-CB 3.14Å; D430-Y446 PolarHBondContact O-N 2.91Å; D430-K479 IonicContact OD2-NZ 2.87Å; D430-K479 PolarHBondContact OD2-NZ 2.88Å
431	Y	96.3	Very high	95.7	Very high	42 Å²	42	25.3 Å²	25.3	17%	0.165	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	151.2	-179.9	-61.3	-86	0	0	0	111.2	F425 D426 V443 Y444 E445 E460 F497	F425-Y431 WeakPolarHBondContact CA-O 3.47Å; F425-Y431 WeakPolarHBondContact CD1-O 3.15Å; D426-Y431 PolarHBondContact N-O 2.85Å; D426-Y431 PolarHBondContact OD1-N 2.86Å; Y431-V443 HydrophobicContact CD1-CG1 4.22Å; Y431-V443 HydrophobicContact CG-CG1 4.48Å; Y431-Y444 CarbonylContact C-O 3.6Å; Y431-Y444 VanDerWaalsContact CA-O 3.27Å; Y431-Y444 WeakPolarHBondContact CA-O 3.24Å; Y431-E445 HydrophobicContact CD1-CB 3.93Å; Y431-E445 HydrophobicContact CD1-CG 4.33Å; Y431-E445 HydrophobicContact CE1-CB 3.66Å; Y431-E445 HydrophobicContact CE1-CG 3.84Å; Y431-E445 PolarHBondContact OH-OE1 2.66Å; Y431-E445 VanDerWaalsContact OH-OE1 3.13Å; Y431-E460 HydrophobicContact CE1-CG 4.5Å; Y431-F497 AromaticContact CD1-CE1 3.93Å; Y431-F497 HydrophobicContact CD1-CE1 3.93Å; Y431-F497 AromaticContact CD2-CE1 3.76Å; Y431-F497 HydrophobicContact CD2-CE1 3.76Å; Y431-F497 AromaticContact CD2-CZ 3.65Å; Y431-F497 HydrophobicContact CD2-CZ 3.65Å; Y431-F497 HydrophobicContact CE1-CE1 4.03Å; Y431-F497 AromaticContact CE2-CE1 3.84Å; Y431-F497 HydrophobicContact CE2-CE1 3.84Å; Y431-F497 AromaticContact CE2-CZ 3.92Å; Y431-F497 HydrophobicContact CE2-CZ 3.92Å; Y431-F497 AromaticContact CG-CE1 3.83Å; Y431-F497 HydrophobicContact CG-CE1 3.83Å; Y431-F497 HydrophobicContact CG-CZ 4.02Å
432	F	97.3	Very high	95.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.8	168.8	64.2	-74.7	0	0	0	110.6	L407 I423 F425 I434 Y444 V449 I713	L407-F432 HydrophobicContact CD2-CZ 4.15Å; I423-F432 HydrophobicContact CG2-CD2 4.36Å; F425-F432 HydrophobicContact CD1-CB 3.84Å; F425-F432 HydrophobicContact CE1-CB 3.92Å; F425-F432 HydrophobicContact CE1-CD1 4.33Å; F425-F432 HydrophobicContact CE1-CG 4.41Å; F425-F432 HydrophobicContact CG-CB 4.18Å; F425-F432 HydrophobicContact CZ-CB 4.32Å; F432-I434 HydrophobicContact CD2-CD1 4.12Å; F432-I434 HydrophobicContact CD2-CG1 3.95Å; F432-I434 HydrophobicContact CE2-CD1 3.72Å; F432-I434 HydrophobicContact CE2-CG1 4.08Å; F432-Y444 HydrophobicContact CE2-CD2 4.33Å; F432-Y444 HydrophobicContact CE2-CG 4.48Å; F432-Y444 HydrophobicContact CZ-CD2 4.47Å; F432-Y444 HydrophobicContact CZ-CG 4.17Å; F432-Y444 PolarHBondContact N-O 3.09Å; F432-Y444 PolarHBondContact O-N 3.02Å; F432-V449 HydrophobicContact CE1-CB 4.32Å; F432-V449 HydrophobicContact CE1-CG1 4.38Å; F432-V449 HydrophobicContact CE1-CG2 4.16Å; F432-V449 HydrophobicContact CZ-CB 4.46Å; F432-V449 HydrophobicContact CZ-CG1 4.14Å; F432-V449 HydrophobicContact CZ-CG2 4.17Å; F432-I713 HydrophobicContact CB-CD1 4.27Å; F432-I713 HydrophobicContact CD1-CD1 3.93Å; F432-I713 HydrophobicContact CD2-CD1 3.47Å; F432-I713 VanDerWaalsContact CD2-CD1 3.47Å; F432-I713 HydrophobicContact CE1-CD1 4.08Å; F432-I713 HydrophobicContact CE2-CD1 3.59Å; F432-I713 HydrophobicContact CG-CD1 3.64Å; F432-I713 HydrophobicContact CZ-CD1 3.92Å
433	A	98.1	Very high	95.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	145.3	175.2	0	0	0	0	0	110.1	I423 E424 I441 K442 V443 I472 W474 L482	I423-A433 WeakPolarHBondContact CA-O 3.15Å; E424-A433 PolarHBondContact N-O 3.16Å; E424-A433 PolarHBondContact O-N 2.67Å; A433-I441 HydrophobicContact CB-CG2 4.34Å; A433-K442 CarbonylContact C-O 3.26Å; A433-K442 WeakPolarHBondContact CA-O 3.46Å; A433-V443 HydrophobicContact CB-CG2 4.32Å; A433-I472 HydrophobicContact CB-CD1 3.56Å; A433-I472 WeakPolarHBondContact O-CD1 3.42Å; A433-W474 HydrophobicContact CB-CZ2 3.8Å; A433-L482 HydrophobicContact CB-CD2 3.95Å
434	I	97.6	Very high	95.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.1	178.9	-46.7	-178.3	0	0	0	108.5	Y409 V420 I423 F432 I441 K442 Y444 I721	Y409-I434 HydrophobicContact CD2-CB 4.23Å; Y409-I434 HydrophobicContact CD2-CG2 3.53Å; Y409-I434 HydrophobicContact CE2-CB 4.14Å; Y409-I434 HydrophobicContact CE2-CG2 3.66Å; Y409-I434 HydrophobicContact CG-CG2 4.44Å; V420-I434 HydrophobicContact CB-CG2 4.33Å; V420-I434 HydrophobicContact CG1-CG2 3.52Å; V420-I434 HydrophobicContact CG2-CG2 3.8Å; I423-I434 HydrophobicContact CG1-CG2 4.33Å; F432-I434 HydrophobicContact CD2-CD1 4.12Å; F432-I434 HydrophobicContact CD2-CG1 3.95Å; F432-I434 HydrophobicContact CE2-CD1 3.72Å; F432-I434 HydrophobicContact CE2-CG1 4.08Å; I434-I441 WeakPolarHBondContact O-CA 3.48Å; I434-K442 PolarHBondContact N-O 3.09Å; I434-K442 PolarHBondContact O-N 3.03Å; I434-Y444 HydrophobicContact CD1-CD2 3.75Å; I434-Y444 HydrophobicContact CD1-CE2 3.63Å; I434-Y444 HydrophobicContact CG1-CD2 4.14Å; I434-Y444 HydrophobicContact CG1-CE2 4.26Å; I434-I721 HydrophobicContact CD1-CD1 3.46Å; I434-I721 VanDerWaalsContact CD1-CD1 3.46Å; I434-I721 HydrophobicContact CD1-CG1 4.09Å; I434-I721 HydrophobicContact CD1-CG2 4.36Å; I434-I721 HydrophobicContact CG2-CD1 4.44Å
435	A	97.3	Very high	95.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	160.9	179.8	0	0	0	0	0	112.7	S421 S422 I441 I469 I472	S421-A435 PolarHBondContact N-O 2.96Å; S421-A435 PolarHBondContact OG-O 2.84Å; S422-A435 PolarHBondContact N-O 2.78Å; S422-A435 PolarHBondContact O-N 3.02Å; A435-I441 HydrophobicContact CB-CG1 4.12Å; A435-I441 HydrophobicContact CB-CG2 4.48Å; A435-I469 HydrophobicContact CB-CB 4.07Å; A435-I469 HydrophobicContact CB-CD1 4.27Å; A435-I469 HydrophobicContact CB-CG2 3.64Å; A435-I472 HydrophobicContact CB-CD1 4.19Å; A435-I472 HydrophobicContact CB-CG1 4.31Å; A435-I472 HydrophobicContact CB-CG2 3.69Å
436	G	95.2	Very high	95.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.4	-150	179.3	0	0	0	0	0	115.4	Y409 T438 K439 I469	Y409-G436 PolarHBondContact OH-N 2.96Å; G436-T438 VanDerWaalsContact C-N 3.26Å; G436-T438 PolarHBondContact O-N 2.95Å; G436-K439 PolarHBondContact O-N 2.93Å; G436-I469 PolarHBondContact O-N 2.89Å
437	V	94.3	Very high	95.2	Very high	17 Å²	17	28.3 Å²	28.3	10%	0.103	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-10.9	-164.9	-56.8	0	0	0	0	115.4	S417 I419 K439 K468	S417-V437 WeakPolarHBondContact O-CG2 3.44Å; I419-V437 HydrophobicContact CB-CG1 4.04Å; I419-V437 HydrophobicContact CB-CG2 3.94Å; I419-V437 HydrophobicContact CG1-CG2 4.46Å; I419-V437 PolarHBondContact O-N 2.84Å; I419-V437 VanDerWaalsContact O-N 3.08Å; V437-K439 PolarHBondContact O-N 2.95Å; V437-K468 HydrophobicContact CB-CD 3.97Å; V437-K468 HydrophobicContact CB-CG 4.43Å; V437-K468 HydrophobicContact CG1-CD 4.2Å
438	T	92.7	Very high	95.2	Very high	22 Å²	22	25.8 Å²	25.8	14%	0.135	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-2.5	175.4	58.2	0	0	0	0	113.7	Y409 G436 K440	Y409-T438 HydrophobicContact CD1-CG2 4.02Å; Y409-T438 HydrophobicContact CE1-CG2 3.65Å; Y409-T438 WeakPolarHBondContact CE1-OG1 3.33Å; Y409-T438 PolarHBondContact OH-OG1 3.04Å; G436-T438 VanDerWaalsContact C-N 3.26Å; G436-T438 PolarHBondContact O-N 2.95Å; T438-K440 PolarHBondContact O-N 2.85Å
439	K	94.7	Very high	95.1	Very high	90 Å²	90	23.7 Å²	23.7	39%	0.391	12%	0.118	S	C	.	.	S	Bend	trans	64.4	16.4	-175.9	-43	-173.7	171.8	-169.4	0	115.2	G436 V437 C465 N466 S467	G436-K439 PolarHBondContact O-N 2.93Å; V437-K439 PolarHBondContact O-N 2.95Å; K439-C465 WeakPolarHBondContact O-CB 3.18Å; K439-C465 PolarHBondContact O-N 3.32Å; K439-N466 WeakPolarHBondContact CD-O 3.14Å; K439-N466 WeakPolarHBondContact CE-O 3.49Å; K439-N466 PolarHBondContact NZ-O 3.29Å; K439-S467 WeakPolarHBondContact CB-O 3.44Å; K439-S467 WeakPolarHBondContact CG-O 3.03Å
440	K	94.4	Very high	95	Very high	44 Å²	44	26.2 Å²	26.2	19%	0.191	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	152.3	177.4	-68.3	172.9	163.1	-155.2	0	110.5	Y409 T438 E462 M463 I469	Y409-K440 PolarHBondContact OH-O 3.16Å; T438-K440 PolarHBondContact O-N 2.85Å; K440-E462 HydrophobicContact CB-CG 4.31Å; K440-E462 HydrophobicContact CD-CG 4.23Å; K440-E462 WeakPolarHBondContact CD-OE2 3.39Å; K440-E462 WeakPolarHBondContact CE-OE1 3.49Å; K440-E462 HydrophobicContact CG-CG 4.36Å; K440-E462 VanDerWaalsContact NZ-CD 3.31Å; K440-E462 IonicContact NZ-OE1 2.8Å; K440-E462 PolarHBondContact NZ-OE1 2.85Å; K440-E462 IonicContact NZ-OE2 3.93Å; K440-E462 PolarHBondContact NZ-OE2 3.13Å; K440-M463 CarbonylContact C-O 3.49Å; K440-M463 WeakPolarHBondContact CA-O 3.29Å; K440-I469 WeakPolarHBondContact O-CD1 3.24Å
441	I	97.2	Very high	94.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.3	163.8	-52.7	171.9	0	0	0	105.7	A433 I434 A435 E462 M463 I469 I472 L482	A433-I441 HydrophobicContact CB-CG2 4.34Å; I434-I441 WeakPolarHBondContact O-CA 3.48Å; A435-I441 HydrophobicContact CB-CG1 4.12Å; A435-I441 HydrophobicContact CB-CG2 4.48Å; I441-E462 WeakPolarHBondContact O-CA 3.43Å; I441-M463 HydrophobicContact CB-CB 4.29Å; I441-M463 HydrophobicContact CB-CE 4.17Å; I441-M463 HydrophobicContact CG2-CE 3.94Å; I441-M463 PolarHBondContact N-O 3.2Å; I441-M463 PolarHBondContact O-N 2.71Å; I441-I469 HydrophobicContact CG1-CD1 3.7Å; I441-I469 HydrophobicContact CG1-CG1 4.32Å; I441-I472 HydrophobicContact CD1-CG2 4.27Å; I441-L482 HydrophobicContact CG2-CD2 3.94Å
442	K	96.4	Very high	93.3	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.026	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.5	178.9	-70.8	180	172.2	178.6	0	109.2	Y409 S411 A433 I434 Y444 P459 E462	Y409-K442 HydrophobicContact CD2-CD 4.3Å; Y409-K442 HydrophobicContact CE2-CD 4.36Å; Y409-K442 PolarHBondContact O-NZ 3.39Å; S411-K442 PolarHBondContact OG-NZ 2.96Å; A433-K442 CarbonylContact C-O 3.26Å; A433-K442 WeakPolarHBondContact CA-O 3.46Å; I434-K442 PolarHBondContact N-O 3.09Å; I434-K442 PolarHBondContact O-N 3.03Å; K442-Y444 HydrophobicContact CB-CD2 4.24Å; K442-Y444 HydrophobicContact CB-CE2 3.59Å; K442-Y444 HydrophobicContact CD-CE2 4.15Å; K442-P459 HydrophobicContact CB-CB 4.01Å; K442-P459 HydrophobicContact CD-CG 4.36Å; K442-P459 HydrophobicContact CG-CB 4.3Å; K442-P459 HydrophobicContact CG-CG 4.28Å; K442-E462 WeakPolarHBondContact CE-OE2 3.42Å; K442-E462 HydrophobicContact CG-CG 4.07Å
443	V	97.5	Very high	91.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.1	173.7	-176.9	0	0	0	0	108.4	Y431 A433 P459 E460 N461 M463 W474 F497	Y431-V443 HydrophobicContact CD1-CG1 4.22Å; Y431-V443 HydrophobicContact CG-CG1 4.48Å; A433-V443 HydrophobicContact CB-CG2 4.32Å; V443-P459 CarbonylContact O-C 3.52Å; V443-P459 VanDerWaalsContact O-CA 3.29Å; V443-P459 WeakPolarHBondContact O-CA 3.35Å; V443-P459 VanDerWaalsContact O-CB 3.3Å; V443-P459 WeakPolarHBondContact O-CB 3.43Å; V443-E460 PolarHBondContact O-N 3.22Å; V443-N461 HydrophobicContact CB-CB 4.46Å; V443-N461 PolarHBondContact N-O 3.31Å; V443-M463 HydrophobicContact CG2-CE 3.78Å; V443-W474 HydrophobicContact CG1-CH2 4.33Å; V443-W474 HydrophobicContact CG1-CZ2 4.2Å; V443-W474 HydrophobicContact CG2-CH2 4.4Å; V443-W474 HydrophobicContact CG2-CZ2 4.29Å; V443-F497 HydrophobicContact CG1-CE1 4.46Å
444	Y	96	Very high	89.4	Confident	4 Å²	4	41.3 Å²	41.3	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	142.3	178.6	-68.8	-90.8	0	0	0	109.9	L407 Y431 F432 I434 K442 V449 H457 P459	L407-Y444 HydrophobicContact CD2-CD1 3.92Å; L407-Y444 HydrophobicContact CD2-CE1 3.87Å; L407-Y444 HydrophobicContact CD2-CG 4.29Å; Y431-Y444 CarbonylContact C-O 3.6Å; Y431-Y444 VanDerWaalsContact CA-O 3.27Å; Y431-Y444 WeakPolarHBondContact CA-O 3.24Å; F432-Y444 HydrophobicContact CE2-CD2 4.33Å; F432-Y444 HydrophobicContact CE2-CG 4.48Å; F432-Y444 HydrophobicContact CZ-CD2 4.47Å; F432-Y444 HydrophobicContact CZ-CG 4.17Å; F432-Y444 PolarHBondContact N-O 3.09Å; F432-Y444 PolarHBondContact O-N 3.02Å; I434-Y444 HydrophobicContact CD1-CD2 3.75Å; I434-Y444 HydrophobicContact CD1-CE2 3.63Å; I434-Y444 HydrophobicContact CG1-CD2 4.14Å; I434-Y444 HydrophobicContact CG1-CE2 4.26Å; K442-Y444 HydrophobicContact CB-CD2 4.24Å; K442-Y444 HydrophobicContact CB-CE2 3.59Å; K442-Y444 HydrophobicContact CD-CE2 4.15Å; Y444-V449 HydrophobicContact CD1-CG2 4.17Å; Y444-H457 HydrophobicContact CE1-CB 4.27Å; Y444-P459 HydrophobicContact CD1-CB 4.22Å; Y444-P459 HydrophobicContact CD2-CB 4.48Å; Y444-P459 HydrophobicContact CE1-CB 3.93Å; Y444-P459 HydrophobicContact CE2-CB 4.2Å; Y444-P459 HydrophobicContact CG-CB 4.5Å
445	E	95.4	Very high	87.8	Confident	67 Å²	67	49 Å²	49	31%	0.313	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	131.7	167.5	-170.6	172.9	-114.1	0	0	109.8	Y431 T448 V449	Y431-E445 HydrophobicContact CD1-CB 3.93Å; Y431-E445 HydrophobicContact CD1-CG 4.33Å; Y431-E445 HydrophobicContact CE1-CB 3.66Å; Y431-E445 HydrophobicContact CE1-CG 3.84Å; Y431-E445 PolarHBondContact OH-OE1 2.66Å; Y431-E445 VanDerWaalsContact OH-OE1 3.13Å; E445-T448 WeakPolarHBondContact OE2-CB 3.42Å; E445-T448 PolarHBondContact OE2-OG1 3.43Å; E445-V449 WeakPolarHBondContact O-CB 3.33Å; E445-V449 VanDerWaalsContact O-CG2 3.24Å; E445-V449 WeakPolarHBondContact O-CG2 3.19Å; E445-V449 PolarHBondContact O-N 3.46Å
446	Y	94	Very high	86.5	Confident	8 Å²	8	54 Å²	54	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-69.1	-46.7	-174.1	173.4	-90.5	0	0	0	112.3	F425 D430 V449 I450 R702 V711 V723	F425-Y446 AromaticContact CE1-CD2 3.75Å; F425-Y446 HydrophobicContact CE1-CD2 3.75Å; F425-Y446 HydrophobicContact CE1-CG 4.24Å; F425-Y446 AromaticContact CZ-CD2 3.92Å; F425-Y446 HydrophobicContact CZ-CD2 3.92Å; F425-Y446 HydrophobicContact CZ-CE2 4.33Å; D430-Y446 WeakPolarHBondContact O-CB 3.14Å; D430-Y446 PolarHBondContact O-N 2.91Å; Y446-V449 PolarHBondContact O-N 2.95Å; Y446-I450 HydrophobicContact CD1-CD1 4.4Å; Y446-I450 HydrophobicContact CE1-CD1 3.6Å; Y446-I450 HydrophobicContact CE1-CG1 4.17Å; Y446-I450 HydrophobicContact CE1-CG2 4.32Å; Y446-I450 HydrophobicContact CE2-CG2 4.15Å; Y446-I450 PolarHBondContact O-N 3.35Å; Y446-R702 VanDerWaalsContact CE1-CZ 3.41Å; Y446-V711 HydrophobicContact CE2-CG1 4.22Å; Y446-V723 HydrophobicContact CE2-CG1 3.95Å
447	D	92.1	Very high	85.9	Confident	68 Å²	68	55.3 Å²	55.3	36%	0.364	30%	0.301	S	S	.	.	H	α-helix	trans	-69.7	-39.4	-173.6	-75.8	-25.8	0	0	0	112.1	V449 I450 Q451	D447-V449 VanDerWaalsContact C-N 3.35Å; D447-V449 PolarHBondContact O-N 3.05Å; D447-I450 WeakPolarHBondContact O-CG1 3.48Å; D447-I450 PolarHBondContact O-N 3.33Å; D447-Q451 WeakPolarHBondContact O-CB 3.32Å; D447-Q451 VanDerWaalsContact O-CG 3.27Å; D447-Q451 WeakPolarHBondContact O-CG 3.23Å; D447-Q451 PolarHBondContact O-N 3.15Å; D447-Q451 VanDerWaalsContact O-N 3.09Å; D447-Q451 PolarHBondContact O-NE2 2.87Å
448	T	91.8	Very high	85.6	Confident	61 Å²	61	63.5 Å²	63.5	37%	0.374	33%	0.331	S	S	.	.	H	α-helix	trans	-60.3	-42.8	171.5	-69.4	0	0	0	0	111.6	E445 I450 Q451 D452	E445-T448 WeakPolarHBondContact OE2-CB 3.42Å; E445-T448 PolarHBondContact OE2-OG1 3.43Å; T448-I450 VanDerWaalsContact C-N 3.31Å; T448-I450 PolarHBondContact O-N 2.96Å; T448-Q451 PolarHBondContact O-N 3.28Å; T448-D452 PolarHBondContact O-N 2.8Å; T448-D452 VanDerWaalsContact O-N 3.08Å
449	V	91.9	Very high	85.6	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.024	34%	0.336	C	S	.	.	H	α-helix	trans	-63.4	-29.7	177.9	163.1	0	0	0	0	113.8	A405 L407 F432 Y444 E445 Y446 D447 H457 V723	A405-V449 HydrophobicContact CB-CG1 3.8Å; A405-V449 WeakPolarHBondContact CB-O 3.48Å; L407-V449 HydrophobicContact CD1-CG1 3.95Å; L407-V449 HydrophobicContact CD2-CG1 3.93Å; L407-V449 HydrophobicContact CD2-CG2 3.86Å; L407-V449 HydrophobicContact CG-CG1 4.22Å; F432-V449 HydrophobicContact CE1-CB 4.32Å; F432-V449 HydrophobicContact CE1-CG1 4.38Å; F432-V449 HydrophobicContact CE1-CG2 4.16Å; F432-V449 HydrophobicContact CZ-CB 4.46Å; F432-V449 HydrophobicContact CZ-CG1 4.14Å; F432-V449 HydrophobicContact CZ-CG2 4.17Å; Y444-V449 HydrophobicContact CD1-CG2 4.17Å; E445-V449 WeakPolarHBondContact O-CB 3.33Å; E445-V449 VanDerWaalsContact O-CG2 3.24Å; E445-V449 WeakPolarHBondContact O-CG2 3.19Å; E445-V449 PolarHBondContact O-N 3.46Å; Y446-V449 PolarHBondContact O-N 2.95Å; D447-V449 VanDerWaalsContact C-N 3.35Å; D447-V449 PolarHBondContact O-N 3.05Å; V449-H457 PolarHBondContact O-CE1 2.74Å; V449-H457 VanDerWaalsContact O-CE1 3.27Å; V449-V723 HydrophobicContact CG1-CG2 4.09Å
450	I	90	Very high	85.5	Confident	60 Å²	60	66.1 Å²	66.1	31%	0.308	35%	0.346	S	S	.	.	H	α-helix	trans	-94	-11.8	177.8	63.6	161.2	0	0	0	114.5	L404 Y446 D447 T448 V723	L404-I450 HydrophobicContact CB-CG2 4.23Å; L404-I450 HydrophobicContact CD1-CG2 4.39Å; Y446-I450 HydrophobicContact CD1-CD1 4.4Å; Y446-I450 HydrophobicContact CE1-CD1 3.6Å; Y446-I450 HydrophobicContact CE1-CG1 4.17Å; Y446-I450 HydrophobicContact CE1-CG2 4.32Å; Y446-I450 HydrophobicContact CE2-CG2 4.15Å; Y446-I450 PolarHBondContact O-N 3.35Å; D447-I450 WeakPolarHBondContact O-CG1 3.48Å; D447-I450 PolarHBondContact O-N 3.33Å; T448-I450 VanDerWaalsContact C-N 3.31Å; T448-I450 PolarHBondContact O-N 2.96Å; I450-V723 HydrophobicContact CG2-CG1 4.19Å
451	Q	84.5	Confident	85.5	Confident	146 Å²	146	65.5 Å²	65.5	68%	0.682	35%	0.345	S	S	*	.	H	α-helix	trans	-93.1	-37.6	177.4	-73.8	175.7	56.8	0	0	112.5	D447 T448 A453	D447-Q451 WeakPolarHBondContact O-CB 3.32Å; D447-Q451 VanDerWaalsContact O-CG 3.27Å; D447-Q451 WeakPolarHBondContact O-CG 3.23Å; D447-Q451 PolarHBondContact O-N 3.15Å; D447-Q451 VanDerWaalsContact O-N 3.09Å; D447-Q451 PolarHBondContact O-NE2 2.87Å; T448-Q451 PolarHBondContact O-N 3.28Å; Q451-A453 PolarHBondContact O-N 2.93Å; Q451-A453 VanDerWaalsContact O-N 3.13Å
452	D	70.1	Confident	85.5	Confident	79 Å²	79	68.8 Å²	68.8	42%	0.422	36%	0.361	S	S	.	.			trans	-69.4	108.8	-179.9	-85.1	-25.6	0	0	0	111.8	T448 V454	T448-D452 PolarHBondContact O-N 2.8Å; T448-D452 VanDerWaalsContact O-N 3.08Å; D452-V454 HydrophobicContact CB-CG2 4.45Å; D452-V454 PolarHBondContact O-N 2.87Å
453	A	56.6	Low	85.4	Confident	112 Å²	112	68.7 Å²	68.7	93%	0.926	36%	0.36	S	S	*	.			trans	-75.3	31.1	170.4	0	0	0	0	0	113	Q451	Q451-A453 PolarHBondContact O-N 2.93Å; Q451-A453 VanDerWaalsContact O-N 3.13Å
454	V	58.6	Low	85.3	Confident	80 Å²	80	72.6 Å²	72.6	49%	0.485	38%	0.384	S	S	.	.	S	Bend	trans	-118.8	128.9	-171.8	-166.1	0	0	0	0	109.2	D452 I456	D452-V454 HydrophobicContact CB-CG2 4.45Å; D452-V454 PolarHBondContact O-N 2.87Å; V454-I456 HydrophobicContact CG1-CB 4.45Å; V454-I456 PolarHBondContact O-N 3.41Å
455	D	62.4	Low	85.2	Confident	162 Å²	162	72.6 Å²	72.6	87%	0.866	39%	0.385	S	S	*	.	S	Bend	trans	-63.6	7.3	-179.5	-65.4	-52.6	0	0	0	115.1
456	I	71.4	Confident	85.2	Confident	103 Å²	103	74.1 Å²	74.1	53%	0.528	40%	0.395	S	S	.	.			trans	-129.6	85.9	-171.2	-48.7	179.1	0	0	0	110.1	V454 Y458	V454-I456 HydrophobicContact CG1-CB 4.45Å; V454-I456 PolarHBondContact O-N 3.41Å; I456-Y458 HydrophobicContact CG2-CD2 4.33Å; I456-Y458 HydrophobicContact CG2-CE2 3.6Å
457	H	82.8	Confident	85.3	Confident	29 Å²	29	74.3 Å²	74.3	13%	0.134	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-89.8	122.6	173.2	-55.3	-75.7	0	0	0	111.5	T406 L407 Y444 V449	T406-H457 PolarHBondContact O-CD2 3.19Å; L407-H457 HydrophobicContact CD2-CB 3.92Å; L407-H457 HydrophobicContact CG-CB 4.36Å; Y444-H457 HydrophobicContact CE1-CB 4.27Å; V449-H457 PolarHBondContact O-CE1 2.74Å; V449-H457 VanDerWaalsContact O-CE1 3.27Å
458	Y	87.4	Confident	85.5	Confident	189 Å²	189	75 Å²	75	74%	0.741	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-89.9	142.5	172.7	-67.3	-84.1	0	0	0	111	I456	I456-Y458 HydrophobicContact CG2-CD2 4.33Å; I456-Y458 HydrophobicContact CG2-CE2 3.6Å
459	P	92.6	Very high	85.8	Confident	35 Å²	35	72.1 Å²	72.1	23%	0.227	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-77.1	143.7	171.4	32.5	-33.5	0	0	0	110.9	K442 V443 Y444 N461	K442-P459 HydrophobicContact CB-CB 4.01Å; K442-P459 HydrophobicContact CD-CG 4.36Å; K442-P459 HydrophobicContact CG-CB 4.3Å; K442-P459 HydrophobicContact CG-CG 4.28Å; V443-P459 CarbonylContact O-C 3.52Å; V443-P459 VanDerWaalsContact O-CA 3.29Å; V443-P459 WeakPolarHBondContact O-CA 3.35Å; V443-P459 VanDerWaalsContact O-CB 3.3Å; V443-P459 WeakPolarHBondContact O-CB 3.43Å; Y444-P459 HydrophobicContact CD1-CB 4.22Å; Y444-P459 HydrophobicContact CD2-CB 4.48Å; Y444-P459 HydrophobicContact CE1-CB 3.93Å; Y444-P459 HydrophobicContact CE2-CB 4.2Å; Y444-P459 HydrophobicContact CG-CB 4.5Å; P459-N461 VanDerWaalsContact C-N 3.29Å; P459-N461 PolarHBondContact O-N 2.68Å
460	E	92.9	Very high	86	Confident	131 Å²	131	72.3 Å²	72.3	61%	0.612	38%	0.381	S	S	*	.	S	Bend	trans	-63.9	-36.2	173.6	179.6	60.9	-166.4	0	0	111.2	Y431 V443	Y431-E460 HydrophobicContact CE1-CG 4.5Å; V443-E460 PolarHBondContact O-N 3.22Å
461	N	95	Very high	86.4	Confident	32 Å²	32	70.4 Å²	70.4	17%	0.171	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	146.1	173.5	-170.7	19.1	0	0	0	111.8	V443 P459 G496 F497 G499	V443-N461 HydrophobicContact CB-CB 4.46Å; V443-N461 PolarHBondContact N-O 3.31Å; P459-N461 VanDerWaalsContact C-N 3.29Å; P459-N461 PolarHBondContact O-N 2.68Å; N461-G496 PolarHBondContact ND2-O 2.76Å; N461-F497 PolarHBondContact ND2-O 3.43Å; N461-G499 PolarHBondContact ND2-N 2.9Å
462	E	95.4	Very high	87.1	Confident	69 Å²	69	63.4 Å²	63.4	32%	0.322	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	107.8	175.1	-170.3	-178.6	89.5	0	0	110.9	K440 I441 K442	K440-E462 HydrophobicContact CB-CG 4.31Å; K440-E462 HydrophobicContact CD-CG 4.23Å; K440-E462 WeakPolarHBondContact CD-OE2 3.39Å; K440-E462 WeakPolarHBondContact CE-OE1 3.49Å; K440-E462 HydrophobicContact CG-CG 4.36Å; K440-E462 VanDerWaalsContact NZ-CD 3.31Å; K440-E462 IonicContact NZ-OE1 2.8Å; K440-E462 PolarHBondContact NZ-OE1 2.85Å; K440-E462 IonicContact NZ-OE2 3.93Å; K440-E462 PolarHBondContact NZ-OE2 3.13Å; I441-E462 WeakPolarHBondContact O-CA 3.43Å; K442-E462 WeakPolarHBondContact CE-OE2 3.42Å; K442-E462 HydrophobicContact CG-CG 4.07Å
463	M	95.4	Very high	88.4	Confident	4 Å²	4	60 Å²	60	2%	0.02	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	140	176.8	-66.9	165.4	-79.3	0	0	110.5	K440 I441 V443 L482 W494	K440-M463 CarbonylContact C-O 3.49Å; K440-M463 WeakPolarHBondContact CA-O 3.29Å; I441-M463 HydrophobicContact CB-CB 4.29Å; I441-M463 HydrophobicContact CB-CE 4.17Å; I441-M463 HydrophobicContact CG2-CE 3.94Å; I441-M463 PolarHBondContact N-O 3.2Å; I441-M463 PolarHBondContact O-N 2.71Å; V443-M463 HydrophobicContact CG2-CE 3.78Å; M463-L482 HydrophobicContact CE-CD2 4.02Å; M463-W494 HydrophobicContact CB-CE3 4.11Å; M463-W494 HydrophobicContact CB-CH2 4.2Å; M463-W494 HydrophobicContact CB-CZ3 3.89Å; M463-W494 HydrophobicContact CG-CE3 3.97Å; M463-W494 HydrophobicContact CG-CZ3 4.12Å; M463-W494 HydrophobicContact SD-CB 3.85Å; M463-W494 HydrophobicContact SD-CD2 3.85Å; M463-W494 HydrophobicContact SD-CE3 3.65Å; M463-W494 HydrophobicContact SD-CG 3.97Å; M463-W494 HydrophobicContact SD-CZ3 4.38Å
464	T	95.3	Very high	90.4	Very high	81 Å²	81	55.5 Å²	55.5	50%	0.497	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.9	-179.8	-62.8	0	0	0	0	112.3	R501	T464-R501 PolarHBondContact O-NH2 2.63Å
465	C	94.7	Very high	92.2	Very high	5 Å²	5	51.8 Å²	51.8	3%	0.034	26%	0.259	C	S	.	.			trans	-101.6	158.4	177.8	-63	0	0	0	0	111.8	K439 I469 W494	K439-C465 WeakPolarHBondContact O-CB 3.18Å; K439-C465 PolarHBondContact O-N 3.32Å; C465-I469 HydrophobicContact CB-CD1 4.09Å; C465-I469 HydrophobicContact CB-CG1 4.08Å; C465-W494 VanDerWaalsContact SG-CZ2 3.57Å
466	N	93.8	Very high	93.7	Very high	98 Å²	98	46 Å²	46	52%	0.524	23%	0.231	S	C	.	.	S	Bend	trans	-74.2	-34.8	177.2	-64.9	10.8	0	0	0	111.6	K439	K439-N466 WeakPolarHBondContact CD-O 3.14Å; K439-N466 WeakPolarHBondContact CE-O 3.49Å; K439-N466 PolarHBondContact NZ-O 3.29Å
467	S	96.1	Very high	94.8	Very high	13 Å²	13	47.8 Å²	47.8	9%	0.091	23%	0.232	C	C	.	.	S	Bend	trans	-119.5	177.3	-177.3	-137.8	0	0	0	0	113.3	K439 E488	K439-S467 WeakPolarHBondContact CB-O 3.44Å; K439-S467 WeakPolarHBondContact CG-O 3.03Å; S467-E488 VanDerWaalsContact CB-CD 3.44Å; S467-E488 WeakPolarHBondContact CB-OE1 3.43Å; S467-E488 PolarHBondContact OG-OE1 3.08Å
468	K	96.4	Very high	95.4	Very high	82 Å²	82	50.4 Å²	50.4	36%	0.357	25%	0.245	S	C	.	.			trans	-68.4	131.7	173.1	-63.2	-173	171.8	-173.8	0	109.2	V437 D486 Y487	V437-K468 HydrophobicContact CB-CD 3.97Å; V437-K468 HydrophobicContact CB-CG 4.43Å; V437-K468 HydrophobicContact CG1-CD 4.2Å; K468-D486 CarbonylContact O-C 3.56Å; K468-D486 WeakPolarHBondContact O-CA 3.33Å; K468-D486 WeakPolarHBondContact O-CB 3.36Å; K468-Y487 HydrophobicContact CB-CD1 3.99Å; K468-Y487 HydrophobicContact CB-CD2 3.92Å; K468-Y487 HydrophobicContact CB-CE1 4.35Å; K468-Y487 HydrophobicContact CB-CE2 4.3Å; K468-Y487 HydrophobicContact CB-CG 3.77Å; K468-Y487 HydrophobicContact CD-CD2 4.2Å; K468-Y487 HydrophobicContact CD-CE2 4.2Å; K468-Y487 HydrophobicContact CG-CD2 4.5Å; K468-Y487 VanDerWaalsContact O-CD1 3.24Å; K468-Y487 WeakPolarHBondContact O-CD1 3.44Å; K468-Y487 PolarHBondContact O-N 3.29Å
469	I	97.9	Very high	95.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	143.2	177.2	-57.1	125	0	0	0	108.6	S421 A435 G436 K440 I441 C465 I472 S485	S421-I469 PolarHBondContact OG-O 2.79Å; A435-I469 HydrophobicContact CB-CB 4.07Å; A435-I469 HydrophobicContact CB-CD1 4.27Å; A435-I469 HydrophobicContact CB-CG2 3.64Å; G436-I469 PolarHBondContact O-N 2.89Å; K440-I469 WeakPolarHBondContact O-CD1 3.24Å; I441-I469 HydrophobicContact CG1-CD1 3.7Å; I441-I469 HydrophobicContact CG1-CG1 4.32Å; C465-I469 HydrophobicContact CB-CD1 4.09Å; C465-I469 HydrophobicContact CB-CG1 4.08Å; I469-I472 HydrophobicContact CG2-CG2 4.13Å; I469-S485 WeakPolarHBondContact CG2-O 3.45Å
470	S	97.7	Very high	95.9	Very high	9 Å²	9	45.5 Å²	45.5	6%	0.063	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-48.3	175.1	53.4	0	0	0	0	111.4	S421 S485 C512 W513	S421-S470 VanDerWaalsContact CB-O 3.23Å; S421-S470 WeakPolarHBondContact CB-O 3.46Å; S421-S470 VanDerWaalsContact OG-C 3.29Å; S421-S470 PolarHBondContact OG-O 3.38Å; S470-S485 PolarHBondContact N-O 3.13Å; S470-S485 PolarHBondContact OG-O 2.87Å; S470-S485 PolarHBondContact OG-OG 2.89Å; S470-C512 VanDerWaalsContact CB-O 3.29Å; S470-C512 WeakPolarHBondContact CB-O 3.19Å; S470-C512 PolarHBondContact OG-O 3.47Å; S470-W513 WeakPolarHBondContact CB-O 3.33Å; S470-W513 PolarHBondContact OG-O 2.73Å
471	C	98.4	Very high	96.1	Very high	19 Å²	19	40.2 Å²	40.2	13%	0.128	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	152.2	-174.6	-170	0	0	0	0	110.9	S484 S485 W513 V515	C471-S484 WeakPolarHBondContact O-CA 3.38Å; C471-S485 WeakPolarHBondContact CB-OG 3.27Å; C471-S485 PolarHBondContact N-OG 3.16Å; C471-S485 PolarHBondContact O-N 3.26Å; C471-S485 PolarHBondContact O-OG 3.31Å; C471-W513 WeakPolarHBondContact CB-O 3.47Å; C471-V515 HydrophobicContact CB-CG1 4.48Å
472	I	98.4	Very high	96.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	155.9	169.7	49.9	166.3	0	0	0	109.9	S422 E424 A433 A435 I441 I469 L482 A483	S422-I472 VanDerWaalsContact OG-CG1 3.26Å; S422-I472 WeakPolarHBondContact OG-CG1 3.27Å; S422-I472 PolarHBondContact OG-N 3.11Å; S422-I472 VanDerWaalsContact OG-N 3.15Å; E424-I472 WeakPolarHBondContact CG-O 3.46Å; A433-I472 HydrophobicContact CB-CD1 3.56Å; A433-I472 WeakPolarHBondContact O-CD1 3.42Å; A435-I472 HydrophobicContact CB-CD1 4.19Å; A435-I472 HydrophobicContact CB-CG1 4.31Å; A435-I472 HydrophobicContact CB-CG2 3.69Å; I441-I472 HydrophobicContact CD1-CG2 4.27Å; I469-I472 HydrophobicContact CG2-CG2 4.13Å; I472-L482 HydrophobicContact CB-CD1 4.1Å; I472-A483 CarbonylContact C-O 3.51Å; I472-A483 WeakPolarHBondContact CA-O 3.19Å
473	S	98.3	Very high	96.4	Very high	7 Å²	7	35.4 Å²	35.4	5%	0.049	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	124	176.9	-177.4	0	0	0	0	109.9	A483 V515 D516 F517	S473-A483 PolarHBondContact N-O 3.19Å; S473-A483 PolarHBondContact O-N 2.82Å; S473-V515 WeakPolarHBondContact CB-O 3.46Å; S473-D516 PolarHBondContact OG-OD1 2.89Å; S473-F517 WeakPolarHBondContact O-CD2 3.45Å; S473-F517 WeakPolarHBondContact O-CE2 3.49Å; S473-F517 PolarHBondContact OG-N 3.21Å
474	W	97.8	Very high	96.5	Very high	17 Å²	17	35.3 Å²	35.3	6%	0.064	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	150.6	173.4	-70.3	96.2	0	0	0	111.2	E424 D426 A433 V443 K479 L482 F497 F517	E424-W474 PolarHBondContact O-NE1 3.49Å; E424-W474 VanDerWaalsContact O-NE1 3.12Å; D426-W474 HydrophobicContact CB-CD2 4Å; D426-W474 HydrophobicContact CB-CE3 4.25Å; D426-W474 HydrophobicContact CB-CG 4.33Å; D426-W474 HydrophobicContact CB-CZ2 4.43Å; A433-W474 HydrophobicContact CB-CZ2 3.8Å; V443-W474 HydrophobicContact CG1-CH2 4.33Å; V443-W474 HydrophobicContact CG1-CZ2 4.2Å; V443-W474 HydrophobicContact CG2-CH2 4.4Å; V443-W474 HydrophobicContact CG2-CZ2 4.29Å; W474-K479 WeakPolarHBondContact CZ3-O 3.34Å; W474-L482 HydrophobicContact CD2-CB 4.23Å; W474-L482 HydrophobicContact CD2-CD1 3.77Å; W474-L482 HydrophobicContact CD2-CG 4.44Å; W474-L482 HydrophobicContact CE3-CB 3.9Å; W474-L482 HydrophobicContact CE3-CD1 4.32Å; W474-L482 HydrophobicContact CG-CD1 3.83Å; W474-L482 HydrophobicContact CH2-CD2 4.38Å; W474-L482 HydrophobicContact CZ2-CD2 4.17Å; W474-L482 HydrophobicContact CZ3-CB 4.05Å; W474-F497 HydrophobicContact CH2-CZ 4.39Å; W474-F497 HydrophobicContact CZ3-CE2 4.47Å; W474-F517 VanDerWaalsContact C-CD2 3.48Å
475	S	97	Very high	96.7	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.014	16%	0.155	C	C	.	.			trans	-72.5	131	171.9	-178.9	0	0	0	0	111.1	Y477 H478 L481	S475-Y477 PolarHBondContact O-N 2.79Å; S475-Y477 PolarHBondContact OG-N 2.86Å; S475-H478 PolarHBondContact OG-N 3.43Å; S475-L481 PolarHBondContact N-O 2.99Å
476	S	93.6	Very high	96.8	Very high	40 Å²	40	31.3 Å²	31.3	28%	0.28	15%	0.154	S	C	.	.	S	Bend	trans	-68	2.2	171.7	60.4	0	0	0	0	114.4	R427 L519	R427-S476 WeakPolarHBondContact CD-O 3.32Å; R427-S476 WeakPolarHBondContact CG-O 3.45Å; S476-L519 WeakPolarHBondContact OG-CA 3.48Å; S476-L519 PolarHBondContact OG-O 2.99Å; S476-L519 VanDerWaalsContact OG-O 3.13Å
477	Y	94.8	Very high	97	Very high	141 Å²	141	29.9 Å²	29.9	55%	0.553	14%	0.142	S	C	*	.	S	Bend	trans	-128.6	-50.9	-174.5	-171.7	-94.8	0	0	0	112.1	R427 S475 P522	R427-Y477 PolarHBondContact NH1-O 2.88Å; S475-Y477 PolarHBondContact O-N 2.79Å; S475-Y477 PolarHBondContact OG-N 2.86Å; Y477-P522 HydrophobicContact CD1-CB 3.73Å; Y477-P522 HydrophobicContact CD1-CG 4.26Å; Y477-P522 HydrophobicContact CD2-CB 4.33Å; Y477-P522 HydrophobicContact CE1-CB 4.5Å; Y477-P522 HydrophobicContact CG-CB 3.63Å; Y477-P522 HydrophobicContact CG-CG 4.23Å
478	H	95.1	Very high	97	Very high	84 Å²	84	34.1 Å²	34.1	39%	0.389	16%	0.16	S	C	.	.			trans	-96.3	102.7	178.9	-67.6	-64.2	0	0	0	110.5	S475 N480 L481	S475-H478 PolarHBondContact OG-N 3.43Å; H478-N480 PolarHBondContact O-N 2.83Å; H478-N480 VanDerWaalsContact O-N 3.08Å; H478-L481 HydrophobicContact CB-CB 3.62Å; H478-L481 HydrophobicContact CB-CD2 4.27Å; H478-L481 PolarHBondContact O-N 3.12Å
479	K	93.9	Very high	97	Very high	57 Å²	57	30.3 Å²	30.3	25%	0.248	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-34.8	-175.7	-171.4	172.4	-166.8	155.6	0	114.5	D426 D428 D430 W474 F497	D426-K479 VanDerWaalsContact OD2-CE 3.25Å; D426-K479 WeakPolarHBondContact OD2-CE 3.29Å; D426-K479 WeakPolarHBondContact OD2-CG 3.2Å; D428-K479 WeakPolarHBondContact OD2-CD 3.4Å; D428-K479 VanDerWaalsContact OD2-CE 3.31Å; D428-K479 WeakPolarHBondContact OD2-CE 3.3Å; D428-K479 IonicContact OD2-NZ 3.79Å; D428-K479 PolarHBondContact OD2-NZ 2.9Å; D430-K479 IonicContact OD2-NZ 2.87Å; D430-K479 PolarHBondContact OD2-NZ 2.88Å; W474-K479 WeakPolarHBondContact CZ3-O 3.34Å; K479-F497 HydrophobicContact CG-CE2 4.5Å
480	N	95.6	Very high	97	Very high	64 Å²	64	30.7 Å²	30.7	34%	0.342	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-12.7	179.1	62.8	-34.6	0	0	0	114.4	H478 L482 D495 G496 F497	H478-N480 PolarHBondContact O-N 2.83Å; H478-N480 VanDerWaalsContact O-N 3.08Å; N480-L482 PolarHBondContact O-N 2.9Å; N480-D495 PolarHBondContact ND2-OD2 3.27Å; N480-D495 CarbonylContact O-C 3.57Å; N480-D495 WeakPolarHBondContact O-CA 3.43Å; N480-G496 PolarHBondContact O-N 3.08Å; N480-F497 HydrophobicContact CB-CD2 3.79Å; N480-F497 HydrophobicContact CB-CE2 4.14Å
481	L	97.8	Very high	97.1	Very high	21 Å²	21	30.2 Å²	30.2	11%	0.11	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	113	-169.9	-176.4	61	0	0	0	111.7	S475 H478 L493 F517 T539	S475-L481 PolarHBondContact N-O 2.99Å; H478-L481 HydrophobicContact CB-CB 3.62Å; H478-L481 HydrophobicContact CB-CD2 4.27Å; H478-L481 PolarHBondContact O-N 3.12Å; L481-L493 HydrophobicContact CD1-CB 4.22Å; L481-F517 HydrophobicContact CD1-CZ 4.46Å; L481-F517 HydrophobicContact CD2-CE1 3.95Å; L481-F517 HydrophobicContact CD2-CZ 3.73Å; L481-F517 HydrophobicContact CG-CE1 4.4Å; L481-F517 HydrophobicContact CG-CE2 4.31Å; L481-F517 HydrophobicContact CG-CZ 3.68Å; L481-T539 HydrophobicContact CD2-CG2 4.29Å
482	L	98.1	Very high	97.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.2	-178.7	179.1	58.5	0	0	0	110.5	A433 I441 M463 I472 W474 N480 W494	A433-L482 HydrophobicContact CB-CD2 3.95Å; I441-L482 HydrophobicContact CG2-CD2 3.94Å; M463-L482 HydrophobicContact CE-CD2 4.02Å; I472-L482 HydrophobicContact CB-CD1 4.1Å; W474-L482 HydrophobicContact CD2-CB 4.23Å; W474-L482 HydrophobicContact CD2-CD1 3.77Å; W474-L482 HydrophobicContact CD2-CG 4.44Å; W474-L482 HydrophobicContact CE3-CB 3.9Å; W474-L482 HydrophobicContact CE3-CD1 4.32Å; W474-L482 HydrophobicContact CG-CD1 3.83Å; W474-L482 HydrophobicContact CH2-CD2 4.38Å; W474-L482 HydrophobicContact CZ2-CD2 4.17Å; W474-L482 HydrophobicContact CZ3-CB 4.05Å; N480-L482 PolarHBondContact O-N 2.9Å; L482-W494 HydrophobicContact CB-CB 4.46Å; L482-W494 PolarHBondContact N-O 3.24Å; L482-W494 PolarHBondContact O-N 2.88Å
483	A	98.4	Very high	97.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	146.6	171.1	0	0	0	0	0	110.8	I472 S473 I492 L493 V515 F517 L525	I472-A483 CarbonylContact C-O 3.51Å; I472-A483 WeakPolarHBondContact CA-O 3.19Å; S473-A483 PolarHBondContact N-O 3.19Å; S473-A483 PolarHBondContact O-N 2.82Å; A483-I492 CarbonylContact C-O 3.57Å; A483-I492 WeakPolarHBondContact CA-O 3.31Å; A483-L493 HydrophobicContact CB-CD2 3.7Å; A483-V515 HydrophobicContact CB-CG1 4.18Å; A483-V515 HydrophobicContact CB-CG2 3.82Å; A483-F517 HydrophobicContact CB-CD2 4.21Å; A483-F517 HydrophobicContact CB-CE2 3.54Å; A483-F517 HydrophobicContact CB-CZ 4.05Å; A483-L525 HydrophobicContact CB-CD1 4.21Å
484	S	98.4	Very high	97.1	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.014	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	135.8	171.4	70	0	0	0	0	111.8	C471 V491 I492 W494	C471-S484 WeakPolarHBondContact O-CA 3.38Å; S484-V491 WeakPolarHBondContact O-CA 3.49Å; S484-I492 PolarHBondContact N-O 3.21Å; S484-I492 PolarHBondContact O-N 2.86Å; S484-W494 PolarHBondContact OG-NE1 2.63Å
485	S	98.3	Very high	97	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	144	169.7	55.2	0	0	0	0	112	I469 S470 C471 T490 C512	I469-S485 WeakPolarHBondContact CG2-O 3.45Å; S470-S485 PolarHBondContact N-O 3.13Å; S470-S485 PolarHBondContact OG-O 2.87Å; S470-S485 PolarHBondContact OG-OG 2.89Å; C471-S485 WeakPolarHBondContact CB-OG 3.27Å; C471-S485 PolarHBondContact N-OG 3.16Å; C471-S485 PolarHBondContact O-N 3.26Å; C471-S485 PolarHBondContact O-OG 3.31Å; S485-T490 WeakPolarHBondContact CA-O 3.29Å; S485-C512 WeakPolarHBondContact CB-SG 3.28Å
486	D	97.6	Very high	96.9	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.011	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	172.7	-177.7	81.6	16.1	0	0	0	116	K468 E488 G489 T490 C512	K468-D486 CarbonylContact O-C 3.56Å; K468-D486 WeakPolarHBondContact O-CA 3.33Å; K468-D486 WeakPolarHBondContact O-CB 3.36Å; D486-E488 VanDerWaalsContact C-N 3.25Å; D486-E488 PolarHBondContact O-N 2.64Å; D486-E488 WeakPolarHBondContact OD1-CA 3.42Å; D486-E488 WeakPolarHBondContact OD1-CB 3.27Å; D486-E488 PolarHBondContact OD1-N 2.85Å; D486-G489 PolarHBondContact O-N 2.89Å; D486-G489 VanDerWaalsContact O-N 3.12Å; D486-G489 PolarHBondContact OD1-N 2.93Å; D486-T490 PolarHBondContact N-O 3.08Å; D486-T490 PolarHBondContact OD1-N 3.24Å; D486-T490 WeakPolarHBondContact OD2-CB 3.29Å; D486-C512 PolarHBondContact O-N 3.02Å
487	Y	97.4	Very high	97	Very high	67 Å²	67	31.7 Å²	31.7	26%	0.263	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-10.4	-177.7	-84.7	37.4	0	0	0	114.6	K468 R511	K468-Y487 HydrophobicContact CB-CD1 3.99Å; K468-Y487 HydrophobicContact CB-CD2 3.92Å; K468-Y487 HydrophobicContact CB-CE1 4.35Å; K468-Y487 HydrophobicContact CB-CE2 4.3Å; K468-Y487 HydrophobicContact CB-CG 3.77Å; K468-Y487 HydrophobicContact CD-CD2 4.2Å; K468-Y487 HydrophobicContact CD-CE2 4.2Å; K468-Y487 HydrophobicContact CG-CD2 4.5Å; K468-Y487 VanDerWaalsContact O-CD1 3.24Å; K468-Y487 WeakPolarHBondContact O-CD1 3.44Å; K468-Y487 PolarHBondContact O-N 3.29Å; Y487-R511 HydrophobicContact CD1-CG 4.06Å; Y487-R511 VanDerWaalsContact CD2-NE 3.27Å; Y487-R511 HydrophobicContact CE1-CG 4.5Å; Y487-R511 VanDerWaalsContact CE2-CZ 3.49Å; Y487-R511 HydrophobicContact CG-CG 4.29Å
488	E	97.1	Very high	97.1	Very high	103 Å²	103	28.9 Å²	28.9	48%	0.481	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-15	169.7	-83.9	150.7	-140.6	0	0	111.8	S467 D486	S467-E488 VanDerWaalsContact CB-CD 3.44Å; S467-E488 WeakPolarHBondContact CB-OE1 3.43Å; S467-E488 PolarHBondContact OG-OE1 3.08Å; D486-E488 VanDerWaalsContact C-N 3.25Å; D486-E488 PolarHBondContact O-N 2.64Å; D486-E488 WeakPolarHBondContact OD1-CA 3.42Å; D486-E488 WeakPolarHBondContact OD1-CB 3.27Å; D486-E488 PolarHBondContact OD1-N 2.85Å
489	G	96.4	Very high	97	Very high	2 Å²	2	26 Å²	26	2%	0.021	13%	0.134	C	C	.	.	S	Bend	trans	100.5	-0.2	-176	0	0	0	0	0	113.4	D486 K510	D486-G489 PolarHBondContact O-N 2.89Å; D486-G489 VanDerWaalsContact O-N 3.12Å; D486-G489 PolarHBondContact OD1-N 2.93Å; G489-K510 VanDerWaalsContact CA-O 3.25Å; G489-K510 WeakPolarHBondContact CA-O 3.34Å
490	T	97.9	Very high	97.1	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.043	15%	0.152	C	C	.	.			trans	-71	137.6	179.2	-47.3	0	0	0	0	110	S485 D486 I492 V504 Y505 Q506	S485-T490 WeakPolarHBondContact CA-O 3.29Å; D486-T490 PolarHBondContact N-O 3.08Å; D486-T490 PolarHBondContact OD1-N 3.24Å; D486-T490 WeakPolarHBondContact OD2-CB 3.29Å; T490-I492 HydrophobicContact CG2-CD1 4.12Å; T490-I492 HydrophobicContact CG2-CG1 3.52Å; T490-V504 HydrophobicContact CG2-CG1 3.64Å; T490-Y505 WeakPolarHBondContact CA-O 3.5Å; T490-Q506 HydrophobicContact CG2-CG 3.82Å; T490-Q506 PolarHBondContact OG1-NE2 3.12Å
491	V	98.4	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117.2	163.6	-177.7	0	0	0	0	108	S484 Y505 V515 L525	S484-V491 WeakPolarHBondContact O-CA 3.49Å; V491-Y505 HydrophobicContact CB-CD2 4.22Å; V491-Y505 HydrophobicContact CG1-CD2 4.22Å; V491-Y505 PolarHBondContact N-O 2.84Å; V491-Y505 WeakPolarHBondContact O-CB 3.15Å; V491-Y505 WeakPolarHBondContact O-CD2 3.2Å; V491-Y505 PolarHBondContact O-N 3.11Å; V491-V515 HydrophobicContact CG1-CB 4.43Å; V491-V515 HydrophobicContact CG1-CG2 3.75Å; V491-L525 HydrophobicContact CG1-CD1 4.04Å
492	I	98.3	Very high	96.9	Very high	7 Å²	7	35 Å²	35	4%	0.036	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135.1	-176.3	-52.8	176.6	0	0	0	109	A483 S484 T490 W494 R501 V504	A483-I492 CarbonylContact C-O 3.57Å; A483-I492 WeakPolarHBondContact CA-O 3.31Å; S484-I492 PolarHBondContact N-O 3.21Å; S484-I492 PolarHBondContact O-N 2.86Å; T490-I492 HydrophobicContact CG2-CD1 4.12Å; T490-I492 HydrophobicContact CG2-CG1 3.52Å; I492-W494 HydrophobicContact CB-CZ2 4.42Å; I492-W494 HydrophobicContact CD1-CZ2 3.95Å; I492-W494 HydrophobicContact CG2-CD2 3.99Å; I492-W494 VanDerWaalsContact CG2-CE2 3.5Å; I492-W494 HydrophobicContact CG2-CG 4.22Å; I492-W494 HydrophobicContact CG2-CZ2 3.93Å; I492-R501 HydrophobicContact CG2-CB 4.25Å; I492-R501 HydrophobicContact CG2-CG 3.94Å; I492-V504 HydrophobicContact CG2-CG2 4.34Å
493	L	98.3	Very high	96.8	Very high	2 Å²	2	37 Å²	37	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	124.9	166.4	-60	-171.4	0	0	0	109.6	L481 A483 R501 S502 K503 Y505 F517 L525 T539	L481-L493 HydrophobicContact CD1-CB 4.22Å; A483-L493 HydrophobicContact CB-CD2 3.7Å; L493-R501 CarbonylContact O-C 3.56Å; L493-S502 PolarHBondContact O-N 2.94Å; L493-K503 HydrophobicContact CB-CB 4.11Å; L493-K503 HydrophobicContact CD1-CB 4.03Å; L493-K503 HydrophobicContact CD1-CG 4.2Å; L493-K503 HydrophobicContact CG-CB 4.08Å; L493-K503 PolarHBondContact N-O 3.15Å; L493-K503 PolarHBondContact O-N 2.84Å; L493-Y505 HydrophobicContact CD1-CE2 3.96Å; L493-Y505 HydrophobicContact CD2-CE2 4.49Å; L493-Y505 HydrophobicContact CG-CE2 3.89Å; L493-F517 HydrophobicContact CD2-CZ 3.86Å; L493-L525 HydrophobicContact CD1-CD2 4.4Å; L493-L525 HydrophobicContact CD2-CD1 3.79Å; L493-L525 HydrophobicContact CD2-CD2 4.34Å; L493-T539 HydrophobicContact CD1-CG2 3.96Å
494	W	98.1	Very high	96.8	Very high	6 Å²	6	40.2 Å²	40.2	2%	0.023	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	149.3	-179.5	-55.9	87	0	0	0	110.9	M463 C465 L482 S484 I492 Q500 R501	M463-W494 HydrophobicContact CB-CE3 4.11Å; M463-W494 HydrophobicContact CB-CH2 4.2Å; M463-W494 HydrophobicContact CB-CZ3 3.89Å; M463-W494 HydrophobicContact CG-CE3 3.97Å; M463-W494 HydrophobicContact CG-CZ3 4.12Å; M463-W494 HydrophobicContact SD-CB 3.85Å; M463-W494 HydrophobicContact SD-CD2 3.85Å; M463-W494 HydrophobicContact SD-CE3 3.65Å; M463-W494 HydrophobicContact SD-CG 3.97Å; M463-W494 HydrophobicContact SD-CZ3 4.38Å; C465-W494 VanDerWaalsContact SG-CZ2 3.57Å; L482-W494 HydrophobicContact CB-CB 4.46Å; L482-W494 PolarHBondContact N-O 3.24Å; L482-W494 PolarHBondContact O-N 2.88Å; S484-W494 PolarHBondContact OG-NE1 2.63Å; I492-W494 HydrophobicContact CB-CZ2 4.42Å; I492-W494 HydrophobicContact CD1-CZ2 3.95Å; I492-W494 HydrophobicContact CG2-CD2 3.99Å; I492-W494 VanDerWaalsContact CG2-CE2 3.5Å; I492-W494 HydrophobicContact CG2-CG 4.22Å; I492-W494 HydrophobicContact CG2-CZ2 3.93Å; W494-Q500 CarbonylContact C-O 3.53Å; W494-Q500 WeakPolarHBondContact CA-O 3.32Å; W494-R501 HydrophobicContact CD2-CG 4.18Å; W494-R501 HydrophobicContact CE3-CG 3.62Å; W494-R501 HydrophobicContact CH2-CG 3.86Å; W494-R501 HydrophobicContact CZ2-CG 4.31Å; W494-R501 HydrophobicContact CZ3-CG 3.46Å; W494-R501 VanDerWaalsContact CZ3-CG 3.46Å
495	D	97.4	Very high	96.7	Very high	34 Å²	34	40.2 Å²	40.2	18%	0.182	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	113.5	148.3	-179	-61.2	0	0	0	107.9	N480 F497 T498 G499 Q500	N480-D495 PolarHBondContact ND2-OD2 3.27Å; N480-D495 CarbonylContact O-C 3.57Å; N480-D495 WeakPolarHBondContact O-CA 3.43Å; D495-F497 PolarHBondContact O-N 2.97Å; D495-F497 PolarHBondContact OD1-N 2.83Å; D495-F497 VanDerWaalsContact OD1-N 3.07Å; D495-T498 VanDerWaalsContact CB-OG1 3.26Å; D495-T498 WeakPolarHBondContact CB-OG1 3.48Å; D495-T498 PolarHBondContact OD1-N 2.85Å; D495-T498 PolarHBondContact OD1-OG1 2.9Å; D495-G499 VanDerWaalsContact O-CA 3.3Å; D495-G499 WeakPolarHBondContact O-CA 3.47Å; D495-G499 PolarHBondContact O-N 2.91Å; D495-Q500 PolarHBondContact N-O 2.91Å
496	G	94.9	Very high	96.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-16.1	-172.1	0	0	0	0	0	115	N461 N480	N461-G496 PolarHBondContact ND2-O 2.76Å; N480-G496 PolarHBondContact O-N 3.08Å
497	F	95.3	Very high	96.7	Very high	66 Å²	66	49.4 Å²	49.4	29%	0.289	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-37.7	-178.1	-59.3	-72.5	0	0	0	112.2	Y431 V443 N461 W474 K479 N480 D495	Y431-F497 AromaticContact CD1-CE1 3.93Å; Y431-F497 HydrophobicContact CD1-CE1 3.93Å; Y431-F497 AromaticContact CD2-CE1 3.76Å; Y431-F497 HydrophobicContact CD2-CE1 3.76Å; Y431-F497 AromaticContact CD2-CZ 3.65Å; Y431-F497 HydrophobicContact CD2-CZ 3.65Å; Y431-F497 HydrophobicContact CE1-CE1 4.03Å; Y431-F497 AromaticContact CE2-CE1 3.84Å; Y431-F497 HydrophobicContact CE2-CE1 3.84Å; Y431-F497 AromaticContact CE2-CZ 3.92Å; Y431-F497 HydrophobicContact CE2-CZ 3.92Å; Y431-F497 AromaticContact CG-CE1 3.83Å; Y431-F497 HydrophobicContact CG-CE1 3.83Å; Y431-F497 HydrophobicContact CG-CZ 4.02Å; V443-F497 HydrophobicContact CG1-CE1 4.46Å; N461-F497 PolarHBondContact ND2-O 3.43Å; W474-F497 HydrophobicContact CH2-CZ 4.39Å; W474-F497 HydrophobicContact CZ3-CE2 4.47Å; K479-F497 HydrophobicContact CG-CE2 4.5Å; N480-F497 HydrophobicContact CB-CD2 3.79Å; N480-F497 HydrophobicContact CB-CE2 4.14Å; D495-F497 PolarHBondContact O-N 2.97Å; D495-F497 PolarHBondContact OD1-N 2.83Å; D495-F497 VanDerWaalsContact OD1-N 3.07Å
498	T	95.6	Very high	96.7	Very high	83 Å²	83	46.9 Å²	46.9	51%	0.509	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-11.5	176	65.9	0	0	0	0	113.5	D495 Q500	D495-T498 VanDerWaalsContact CB-OG1 3.26Å; D495-T498 WeakPolarHBondContact CB-OG1 3.48Å; D495-T498 PolarHBondContact OD1-N 2.85Å; D495-T498 PolarHBondContact OD1-OG1 2.9Å; T498-Q500 PolarHBondContact O-N 2.9Å
499	G	93.9	Very high	96.7	Very high	23 Å²	23	48.4 Å²	48.4	24%	0.237	25%	0.248	C	C	.	.			trans	70	9.3	-178.8	0	0	0	0	0	115.1	N461 D495	N461-G499 PolarHBondContact ND2-N 2.9Å; D495-G499 VanDerWaalsContact O-CA 3.3Å; D495-G499 WeakPolarHBondContact O-CA 3.47Å; D495-G499 PolarHBondContact O-N 2.91Å
500	Q	95.5	Very high	96.8	Very high	135 Å²	135	53.4 Å²	53.4	63%	0.631	27%	0.269	S	S	*	.			trans	-79.1	138.7	-176.5	-63.4	-172.1	20.9	0	0	112	W494 D495 T498	W494-Q500 CarbonylContact C-O 3.53Å; W494-Q500 WeakPolarHBondContact CA-O 3.32Å; D495-Q500 PolarHBondContact N-O 2.91Å; T498-Q500 PolarHBondContact O-N 2.9Å
501	R	95.6	Very high	96.8	Very high	112 Å²	112	56.8 Å²	56.8	42%	0.423	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	113.5	174.1	-61.1	178.6	-174.4	172.9	0.3	109.4	T464 I492 L493 W494 V504	T464-R501 PolarHBondContact O-NH2 2.63Å; I492-R501 HydrophobicContact CG2-CB 4.25Å; I492-R501 HydrophobicContact CG2-CG 3.94Å; L493-R501 CarbonylContact O-C 3.56Å; W494-R501 HydrophobicContact CD2-CG 4.18Å; W494-R501 HydrophobicContact CE3-CG 3.62Å; W494-R501 HydrophobicContact CH2-CG 3.86Å; W494-R501 HydrophobicContact CZ2-CG 4.31Å; W494-R501 HydrophobicContact CZ3-CG 3.46Å; W494-R501 VanDerWaalsContact CZ3-CG 3.46Å; R501-V504 HydrophobicContact CB-CG2 4.4Å
502	S	93.8	Very high	96.8	Very high	85 Å²	85	56.8 Å²	56.8	59%	0.594	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	-41.8	-179.4	179	0	0	0	0	112.6	L493	L493-S502 PolarHBondContact O-N 2.94Å
503	K	96.2	Very high	96.8	Very high	42 Å²	42	58.4 Å²	58.4	18%	0.183	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	150.5	174.2	-68.2	-65.3	-168.9	-175.7	0	110.6	L493 Y505 T539 D542	L493-K503 HydrophobicContact CB-CB 4.11Å; L493-K503 HydrophobicContact CD1-CB 4.03Å; L493-K503 HydrophobicContact CD1-CG 4.2Å; L493-K503 HydrophobicContact CG-CB 4.08Å; L493-K503 PolarHBondContact N-O 3.15Å; L493-K503 PolarHBondContact O-N 2.84Å; K503-Y505 HydrophobicContact CB-CE1 4.25Å; K503-Y505 HydrophobicContact CB-CE2 4.03Å; K503-T539 WeakPolarHBondContact CE-O 3.45Å; K503-D542 IonicContact NZ-OD1 3.2Å; K503-D542 PolarHBondContact NZ-OD1 2.91Å; K503-D542 IonicContact NZ-OD2 2.69Å; K503-D542 PolarHBondContact NZ-OD2 3.25Å
504	V	97.6	Very high	96.8	Very high	67 Å²	67	58.8 Å²	58.8	41%	0.406	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	103.2	177.5	-179.7	0	0	0	0	107.6	T490 I492 R501 Q506	T490-V504 HydrophobicContact CG2-CG1 3.64Å; I492-V504 HydrophobicContact CG2-CG2 4.34Å; R501-V504 HydrophobicContact CB-CG2 4.4Å; V504-Q506 HydrophobicContact CG1-CG 4.16Å
505	Y	97.9	Very high	96.8	Very high	1 Å²	1	58.6 Å²	58.6	0%	0.004	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.5	-177.1	-59.5	-61.1	0	0	0	110.7	T490 V491 L493 K503 W537 S538 L541 D542	T490-Y505 WeakPolarHBondContact CA-O 3.5Å; V491-Y505 HydrophobicContact CB-CD2 4.22Å; V491-Y505 HydrophobicContact CG1-CD2 4.22Å; V491-Y505 PolarHBondContact N-O 2.84Å; V491-Y505 WeakPolarHBondContact O-CB 3.15Å; V491-Y505 WeakPolarHBondContact O-CD2 3.2Å; V491-Y505 PolarHBondContact O-N 3.11Å; L493-Y505 HydrophobicContact CD1-CE2 3.96Å; L493-Y505 HydrophobicContact CD2-CE2 4.49Å; L493-Y505 HydrophobicContact CG-CE2 3.89Å; K503-Y505 HydrophobicContact CB-CE1 4.25Å; K503-Y505 HydrophobicContact CB-CE2 4.03Å; Y505-W537 HydrophobicContact CD1-CD2 4.13Å; Y505-W537 AromaticContact CD1-CE3 3.44Å; Y505-W537 HydrophobicContact CD1-CE3 3.44Å; Y505-W537 VanDerWaalsContact CD1-CE3 3.44Å; Y505-W537 AromaticContact CD1-CZ3 3.83Å; Y505-W537 HydrophobicContact CD1-CZ3 3.83Å; Y505-W537 HydrophobicContact CD2-CB 4.37Å; Y505-W537 HydrophobicContact CD2-CD2 4.08Å; Y505-W537 HydrophobicContact CD2-CE3 4.23Å; Y505-W537 HydrophobicContact CD2-CG 4.16Å; Y505-W537 HydrophobicContact CE1-CB 4.42Å; Y505-W537 HydrophobicContact CE1-CE3 4.03Å; Y505-W537 HydrophobicContact CE2-CB 4Å; Y505-W537 HydrophobicContact CE2-CG 4.28Å; Y505-W537 AromaticContact CG-CD2 3.85Å; Y505-W537 HydrophobicContact CG-CD2 3.85Å; Y505-W537 AromaticContact CG-CE3 3.56Å; Y505-W537 HydrophobicContact CG-CE3 3.56Å; Y505-W537 HydrophobicContact CG-CG 4.38Å; Y505-W537 HydrophobicContact CG-CH2 4.43Å; Y505-W537 AromaticContact CG-CZ3 3.89Å; Y505-W537 HydrophobicContact CG-CZ3 3.89Å; Y505-S538 PolarHBondContact OH-O 2.86Å; Y505-L541 WeakPolarHBondContact CE1-O 3.43Å; Y505-L541 PolarHBondContact OH-O 2.88Å; Y505-D542 WeakPolarHBondContact CD1-O 3.35Å
506	Q	96.8	Very high	96.8	Very high	140 Å²	140	57 Å²	57	65%	0.654	28%	0.281	S	S	*	.			trans	-132.3	68.2	-175.4	-70.1	-174.8	-27.5	0	0	111.4	T490 V504	T490-Q506 HydrophobicContact CG2-CG 3.82Å; T490-Q506 PolarHBondContact OG1-NE2 3.12Å; V504-Q506 HydrophobicContact CG1-CG 4.16Å
507	E	97.6	Very high	97	Very high	56 Å²	56	57.1 Å²	57.1	26%	0.262	28%	0.281	S	S	.	.			trans	-124.1	-5.1	173.2	-48.9	177.7	-173.9	0	0	114.3	K535 W537 N543 S544	E507-K535 HydrophobicContact CB-CD 4.02Å; E507-K535 VanDerWaalsContact O-CE 3.25Å; E507-K535 WeakPolarHBondContact O-CE 3.39Å; E507-K535 IonicContact OE2-NZ 2.67Å; E507-K535 PolarHBondContact OE2-NZ 2.83Å; E507-W537 HydrophobicContact CB-CH2 3.8Å; E507-W537 HydrophobicContact CB-CZ3 4.37Å; E507-W537 HydrophobicContact CG-CH2 3.78Å; E507-W537 HydrophobicContact CG-CZ3 3.85Å; E507-N543 WeakPolarHBondContact OE1-CA 3.36Å; E507-N543 WeakPolarHBondContact OE1-CB 3.39Å; E507-S544 PolarHBondContact OE1-N 2.99Å; E507-S544 WeakPolarHBondContact OE2-CB 3.47Å; E507-S544 PolarHBondContact OE2-OG 2.93Å
508	H	98	Very high	97.1	Very high	13 Å²	13	54 Å²	54	6%	0.06	27%	0.267	C	S	.	.			trans	-80.9	134.3	171.6	-80.8	-61.2	0	0	0	109.5	K510 S527 S529 D531 K533	H508-K510 VanDerWaalsContact C-N 3.29Å; H508-K510 PolarHBondContact O-N 2.96Å; H508-S527 PolarHBondContact NE2-OG 2.96Å; H508-S529 VanDerWaalsContact ND1-CB 3.29Å; H508-S529 WeakPolarHBondContact ND1-CB 3.31Å; H508-D531 VanDerWaalsContact CA-OD2 3.27Å; H508-D531 WeakPolarHBondContact CA-OD2 3.26Å; H508-D531 IonicContact CE1-OD1 3.25Å; H508-D531 IonicContact CE1-OD2 2.61Å; H508-D531 IonicContact CG-OD2 3.91Å; H508-D531 IonicContact ND1-OD1 2.66Å; H508-D531 PolarHBondContact ND1-OD1 3.29Å; H508-D531 IonicContact ND1-OD2 2.67Å; H508-D531 PolarHBondContact ND1-OD2 3.04Å; H508-K533 PolarHBondContact CE1-O 2.79Å
509	E	97.4	Very high	97	Very high	136 Å²	136	53.6 Å²	53.6	64%	0.636	26%	0.262	S	S	*	.	S	Bend	trans	-84.1	-8.7	-174.7	-67.4	159.1	-127.9	0	0	112.9	D531 K533	E509-D531 HydrophobicContact CB-CB 4.15Å; E509-D531 PolarHBondContact N-OD2 2.84Å; E509-D531 VanDerWaalsContact N-OD2 3.17Å; E509-K533 IonicContact OE1-NZ 2.75Å; E509-K533 PolarHBondContact OE1-NZ 2.88Å
510	K	98.1	Very high	97	Very high	106 Å²	106	57.9 Å²	57.9	46%	0.461	28%	0.277	S	S	.	.	S	Bend	trans	-150.3	170	-176.5	-53.7	-176	-149.5	154.9	0	110	G489 H508 C512 S529 D530 D531	G489-K510 VanDerWaalsContact CA-O 3.25Å; G489-K510 WeakPolarHBondContact CA-O 3.34Å; H508-K510 VanDerWaalsContact C-N 3.29Å; H508-K510 PolarHBondContact O-N 2.96Å; K510-C512 PolarHBondContact O-N 3.13Å; K510-S529 PolarHBondContact O-OG 2.79Å; K510-D530 HydrophobicContact CB-CB 3.84Å; K510-D530 HydrophobicContact CD-CB 4Å; K510-D530 WeakPolarHBondContact CD-O 3.38Å; K510-D530 PolarHBondContact NZ-O 2.79Å; K510-D531 HydrophobicContact CB-CB 4.46Å; K510-D531 HydrophobicContact CG-CB 4.35Å
511	R	97.8	Very high	97	Very high	78 Å²	78	52.6 Å²	52.6	29%	0.294	25%	0.253	S	S	.	.			trans	-31.4	119.5	171.2	171.2	-179.6	-55.1	148.8	15.4	112.7	Y487 W513 S529 D530	Y487-R511 HydrophobicContact CD1-CG 4.06Å; Y487-R511 VanDerWaalsContact CD2-NE 3.27Å; Y487-R511 HydrophobicContact CE1-CG 4.5Å; Y487-R511 VanDerWaalsContact CE2-CZ 3.49Å; Y487-R511 HydrophobicContact CG-CG 4.29Å; R511-W513 VanDerWaalsContact CD-CE2 3.42Å; R511-W513 VanDerWaalsContact CD-CZ2 3.42Å; R511-W513 HydrophobicContact CG-CD2 4.22Å; R511-W513 HydrophobicContact CG-CG 4.49Å; R511-W513 VanDerWaalsContact NH1-CH2 3.31Å; R511-W513 VanDerWaalsContact NH1-CZ2 3.25Å; R511-S529 WeakPolarHBondContact O-CA 3.37Å; R511-S529 WeakPolarHBondContact O-CB 3.18Å; R511-S529 PolarHBondContact O-OG 2.93Å; R511-D530 PolarHBondContact O-N 2.84Å
512	C	98.3	Very high	96.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	131.1	164.7	-177.3	0	0	0	0	108.1	S470 S485 D486 K510 S514 G528	S470-C512 VanDerWaalsContact CB-O 3.29Å; S470-C512 WeakPolarHBondContact CB-O 3.19Å; S470-C512 PolarHBondContact OG-O 3.47Å; S485-C512 WeakPolarHBondContact CB-SG 3.28Å; D486-C512 PolarHBondContact O-N 3.02Å; K510-C512 PolarHBondContact O-N 3.13Å; C512-S514 PolarHBondContact SG-O 3.2Å; C512-S514 VanDerWaalsContact SG-O 3.41Å; C512-G528 CarbonylContact C-O 3.59Å; C512-G528 WeakPolarHBondContact CA-O 3.33Å; C512-G528 PolarHBondContact SG-O 3.17Å
513	W	98.1	Very high	97	Very high	41 Å²	41	50 Å²	50	16%	0.155	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-27.5	-178.6	-77.6	110.3	0	0	0	113.4	S470 C471 R511 G528 D530 C555 F641	S470-W513 WeakPolarHBondContact CB-O 3.33Å; S470-W513 PolarHBondContact OG-O 2.73Å; C471-W513 WeakPolarHBondContact CB-O 3.47Å; R511-W513 VanDerWaalsContact CD-CE2 3.42Å; R511-W513 VanDerWaalsContact CD-CZ2 3.42Å; R511-W513 HydrophobicContact CG-CD2 4.22Å; R511-W513 HydrophobicContact CG-CG 4.49Å; R511-W513 VanDerWaalsContact NH1-CH2 3.31Å; R511-W513 VanDerWaalsContact NH1-CZ2 3.25Å; W513-G528 PolarHBondContact N-O 2.91Å; W513-D530 PolarHBondContact NE1-OD1 3.4Å; W513-D530 PolarHBondContact NE1-OD2 3.11Å; W513-C555 VanDerWaalsContact CB-O 3.29Å; W513-C555 WeakPolarHBondContact CB-O 3.4Å; W513-F641 HydrophobicContact CD2-CZ 4.26Å; W513-F641 HydrophobicContact CE3-CE1 4.43Å; W513-F641 HydrophobicContact CE3-CE2 4.29Å; W513-F641 HydrophobicContact CE3-CZ 4.08Å; W513-F641 HydrophobicContact CH2-CD2 4.5Å; W513-F641 AromaticContact CH2-CE2 3.87Å; W513-F641 HydrophobicContact CH2-CE2 3.87Å; W513-F641 HydrophobicContact CH2-CZ 4.33Å; W513-F641 HydrophobicContact CZ2-CE2 4.34Å; W513-F641 HydrophobicContact CZ3-CD2 4.23Å; W513-F641 AromaticContact CZ3-CE2 3.85Å; W513-F641 HydrophobicContact CZ3-CE2 3.85Å; W513-F641 HydrophobicContact CZ3-CZ 4.12Å
514	S	98.1	Very high	97.1	Very high	10 Å²	10	49.1 Å²	49.1	7%	0.07	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	138.5	-168.3	177.2	0	0	0	0	110.7	C512 S527 G528 V557	C512-S514 PolarHBondContact SG-O 3.2Å; C512-S514 VanDerWaalsContact SG-O 3.41Å; S514-S527 CarbonylContact O-C 3.51Å; S514-S527 VanDerWaalsContact O-CA 3.23Å; S514-S527 WeakPolarHBondContact O-CA 3.24Å; S514-G528 PolarHBondContact O-N 3Å; S514-V557 PolarHBondContact OG-N 2.89Å; S514-V557 PolarHBondContact OG-O 2.86Å
515	V	98.5	Very high	97.1	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.8	170.8	61.2	0	0	0	0	108.9	C471 S473 A483 V491 L525 A526	C471-V515 HydrophobicContact CB-CG1 4.48Å; S473-V515 WeakPolarHBondContact CB-O 3.46Å; A483-V515 HydrophobicContact CB-CG1 4.18Å; A483-V515 HydrophobicContact CB-CG2 3.82Å; V491-V515 HydrophobicContact CG1-CB 4.43Å; V491-V515 HydrophobicContact CG1-CG2 3.75Å; V515-L525 HydrophobicContact CG2-CD1 3.76Å; V515-A526 CarbonylContact C-O 3.51Å; V515-A526 VanDerWaalsContact CA-O 3.31Å; V515-A526 WeakPolarHBondContact CA-O 3.44Å
516	D	98.4	Very high	97.1	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.011	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	135.3	176.8	-166.8	41.7	0	0	0	113.1	S473 L525 A526 V557 K558 F559	S473-D516 PolarHBondContact OG-OD1 2.89Å; D516-L525 CarbonylContact O-C 3.56Å; D516-L525 WeakPolarHBondContact O-CA 3.32Å; D516-L525 VanDerWaalsContact O-CB 3.31Å; D516-L525 WeakPolarHBondContact O-CB 3.37Å; D516-A526 PolarHBondContact N-O 3.03Å; D516-A526 PolarHBondContact O-N 3.47Å; D516-V557 HydrophobicContact CB-CG2 4.33Å; D516-K558 VanDerWaalsContact CG-NZ 3.33Å; D516-K558 VanDerWaalsContact OD1-CE 3.27Å; D516-K558 WeakPolarHBondContact OD1-CE 3.35Å; D516-K558 IonicContact OD1-NZ 2.67Å; D516-K558 PolarHBondContact OD1-NZ 3.18Å; D516-K558 WeakPolarHBondContact OD2-CA 3.33Å; D516-K558 VanDerWaalsContact OD2-CD 3.31Å; D516-K558 WeakPolarHBondContact OD2-CD 3.17Å; D516-K558 IonicContact OD2-NZ 2.83Å; D516-F559 HydrophobicContact CB-CD2 4.37Å; D516-F559 WeakPolarHBondContact O-CE2 3.15Å; D516-F559 PolarHBondContact OD2-N 3.2Å
517	F	98.2	Very high	97.2	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	145.6	169.3	-84.7	-73.2	0	0	0	112.1	S473 W474 L481 A483 L493 L519 L525 T539	S473-F517 WeakPolarHBondContact O-CD2 3.45Å; S473-F517 WeakPolarHBondContact O-CE2 3.49Å; S473-F517 PolarHBondContact OG-N 3.21Å; W474-F517 VanDerWaalsContact C-CD2 3.48Å; L481-F517 HydrophobicContact CD1-CZ 4.46Å; L481-F517 HydrophobicContact CD2-CE1 3.95Å; L481-F517 HydrophobicContact CD2-CZ 3.73Å; L481-F517 HydrophobicContact CG-CE1 4.4Å; L481-F517 HydrophobicContact CG-CE2 4.31Å; L481-F517 HydrophobicContact CG-CZ 3.68Å; A483-F517 HydrophobicContact CB-CD2 4.21Å; A483-F517 HydrophobicContact CB-CE2 3.54Å; A483-F517 HydrophobicContact CB-CZ 4.05Å; L493-F517 HydrophobicContact CD2-CZ 3.86Å; F517-L519 PolarHBondContact O-N 2.86Å; F517-L525 HydrophobicContact CD1-CB 3.88Å; F517-L525 HydrophobicContact CE1-CB 4.15Å; F517-L525 HydrophobicContact CE1-CD2 4.08Å; F517-L525 HydrophobicContact CG-CB 4.37Å; F517-T539 HydrophobicContact CE1-CG2 4.33Å
518	N	97.4	Very high	97.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.172	C	C	.	.			trans	-75.2	110.3	172.2	-171.7	-18.3	0	0	0	110.1	M520 D521 L524 F559 R564	N518-M520 PolarHBondContact O-N 3.21Å; N518-M520 PolarHBondContact OD1-N 3.38Å; N518-M520 VanDerWaalsContact OD1-N 3.11Å; N518-D521 HydrophobicContact CB-CB 4.12Å; N518-D521 CarbonylContact O-C 3.48Å; N518-D521 PolarHBondContact O-N 3.06Å; N518-D521 VanDerWaalsContact O-N 3.08Å; N518-D521 PolarHBondContact OD1-N 2.96Å; N518-L524 HydrophobicContact CB-CB 3.91Å; N518-L524 HydrophobicContact CB-CD2 4.46Å; N518-L524 VanDerWaalsContact CB-O 3.26Å; N518-L524 WeakPolarHBondContact CB-O 3.49Å; N518-L524 PolarHBondContact N-O 3.05Å; N518-L524 WeakPolarHBondContact ND2-CD2 3.43Å; N518-F559 HydrophobicContact CB-CD1 3.79Å; N518-F559 HydrophobicContact CB-CD2 3.95Å; N518-F559 HydrophobicContact CB-CE1 3.74Å; N518-F559 HydrophobicContact CB-CE2 3.9Å; N518-F559 HydrophobicContact CB-CG 3.89Å; N518-F559 HydrophobicContact CB-CZ 3.8Å; N518-F559 VanDerWaalsContact CG-CD1 3.49Å; N518-F559 WeakPolarHBondContact ND2-CE1 3.4Å; N518-R564 PolarHBondContact ND2-O 2.96Å; N518-R564 WeakPolarHBondContact OD1-CA 3.49Å
519	L	92.9	Very high	97.3	Very high	75 Å²	75	35.9 Å²	35.9	39%	0.393	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-25.1	-178.6	-64.1	172.3	0	0	0	113.5	S476 F517 P561	S476-L519 WeakPolarHBondContact OG-CA 3.48Å; S476-L519 PolarHBondContact OG-O 2.99Å; S476-L519 VanDerWaalsContact OG-O 3.13Å; F517-L519 PolarHBondContact O-N 2.86Å; L519-P561 HydrophobicContact CD1-CB 3.85Å
520	M	94.5	Very high	97.3	Very high	112 Å²	112	30.7 Å²	30.7	55%	0.552	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.4	7	-175	-63.6	-70.9	-80.9	0	0	113.5	N518 R564	N518-M520 PolarHBondContact O-N 3.21Å; N518-M520 PolarHBondContact OD1-N 3.38Å; N518-M520 VanDerWaalsContact OD1-N 3.11Å; M520-R564 HydrophobicContact CB-CB 3.74Å
521	D	95.4	Very high	97.3	Very high	25 Å²	25	26.4 Å²	26.4	13%	0.134	13%	0.127	C	C	.	.			trans	-149	102.8	173.5	-174.3	-12.7	0	0	0	110.4	N518 K523 L524 R564	N518-D521 HydrophobicContact CB-CB 4.12Å; N518-D521 CarbonylContact O-C 3.48Å; N518-D521 PolarHBondContact O-N 3.06Å; N518-D521 VanDerWaalsContact O-N 3.08Å; N518-D521 PolarHBondContact OD1-N 2.96Å; D521-K523 PolarHBondContact O-N 2.81Å; D521-K523 PolarHBondContact OD1-N 3.3Å; D521-L524 HydrophobicContact CB-CB 4.2Å; D521-L524 PolarHBondContact O-N 3.11Å; D521-L524 VanDerWaalsContact O-N 3.08Å; D521-R564 HydrophobicContact CB-CB 4.29Å; D521-R564 IonicContact OD2-CZ 3.4Å; D521-R564 IonicContact OD2-NE 2.92Å; D521-R564 PolarHBondContact OD2-NE 3.27Å; D521-R564 IonicContact OD2-NH2 2.7Å; D521-R564 PolarHBondContact OD2-NH2 2.93Å
522	P	94.9	Very high	97.2	Very high	38 Å²	38	23.6 Å²	23.6	25%	0.247	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-11.8	-170.2	29	-37.5	0	0	0	114.1	Y477	Y477-P522 HydrophobicContact CD1-CB 3.73Å; Y477-P522 HydrophobicContact CD1-CG 4.26Å; Y477-P522 HydrophobicContact CD2-CB 4.33Å; Y477-P522 HydrophobicContact CE1-CB 4.5Å; Y477-P522 HydrophobicContact CG-CB 3.63Å; Y477-P522 HydrophobicContact CG-CG 4.23Å
523	K	95.4	Very high	97.2	Very high	103 Å²	103	25.7 Å²	25.7	45%	0.448	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-15.6	-179.4	-63.7	178.9	-178.7	175.8	0	113.7	D521 S538 T539	D521-K523 PolarHBondContact O-N 2.81Å; D521-K523 PolarHBondContact OD1-N 3.3Å; K523-S538 CarbonylContact O-C 3.48Å; K523-S538 WeakPolarHBondContact O-CA 3.34Å; K523-S538 PolarHBondContact O-OG 2.84Å; K523-T539 WeakPolarHBondContact CA-OG1 3.36Å; K523-T539 PolarHBondContact O-N 3.47Å
524	L	97.4	Very high	97.2	Very high	24 Å²	24	23.8 Å²	23.8	13%	0.126	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.1	-172.4	-162.6	76.5	0	0	0	110.5	N518 D521 L536 W537 V545 F559 L581	N518-L524 HydrophobicContact CB-CB 3.91Å; N518-L524 HydrophobicContact CB-CD2 4.46Å; N518-L524 VanDerWaalsContact CB-O 3.26Å; N518-L524 WeakPolarHBondContact CB-O 3.49Å; N518-L524 PolarHBondContact N-O 3.05Å; N518-L524 WeakPolarHBondContact ND2-CD2 3.43Å; D521-L524 HydrophobicContact CB-CB 4.2Å; D521-L524 PolarHBondContact O-N 3.11Å; D521-L524 VanDerWaalsContact O-N 3.08Å; L524-L536 HydrophobicContact CD1-CB 4.45Å; L524-W537 WeakPolarHBondContact CA-O 3.41Å; L524-V545 HydrophobicContact CD1-CG2 3.97Å; L524-F559 HydrophobicContact CD2-CE1 3.79Å; L524-F559 HydrophobicContact CD2-CZ 3.79Å; L524-F559 HydrophobicContact CG-CZ 4.12Å; L524-L581 HydrophobicContact CD2-CD1 4.12Å
525	L	98	Very high	97.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	161.5	166.4	64.7	150.5	0	0	0	110.2	A483 V491 L493 V515 D516 F517 L536 W537 T539	A483-L525 HydrophobicContact CB-CD1 4.21Å; V491-L525 HydrophobicContact CG1-CD1 4.04Å; L493-L525 HydrophobicContact CD1-CD2 4.4Å; L493-L525 HydrophobicContact CD2-CD1 3.79Å; L493-L525 HydrophobicContact CD2-CD2 4.34Å; V515-L525 HydrophobicContact CG2-CD1 3.76Å; D516-L525 CarbonylContact O-C 3.56Å; D516-L525 WeakPolarHBondContact O-CA 3.32Å; D516-L525 VanDerWaalsContact O-CB 3.31Å; D516-L525 WeakPolarHBondContact O-CB 3.37Å; F517-L525 HydrophobicContact CD1-CB 3.88Å; F517-L525 HydrophobicContact CE1-CB 4.15Å; F517-L525 HydrophobicContact CE1-CD2 4.08Å; F517-L525 HydrophobicContact CG-CB 4.37Å; L525-L536 WeakPolarHBondContact O-CA 3.3Å; L525-W537 HydrophobicContact CD2-CB 3.91Å; L525-W537 HydrophobicContact CG-CB 3.95Å; L525-W537 HydrophobicContact CG-CG 4.39Å; L525-W537 PolarHBondContact N-O 3.15Å; L525-W537 VanDerWaalsContact N-O 3.09Å; L525-W537 PolarHBondContact O-N 2.98Å; L525-T539 HydrophobicContact CD2-CG2 4.32Å
526	A	98.4	Very high	97.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	153.3	179.3	0	0	0	0	0	110.7	V515 D516 K535 L536 V557 F559 L567	V515-A526 CarbonylContact C-O 3.51Å; V515-A526 VanDerWaalsContact CA-O 3.31Å; V515-A526 WeakPolarHBondContact CA-O 3.44Å; D516-A526 PolarHBondContact N-O 3.03Å; D516-A526 PolarHBondContact O-N 3.47Å; A526-K535 CarbonylContact C-O 3.56Å; A526-K535 VanDerWaalsContact CA-O 3.26Å; A526-K535 WeakPolarHBondContact CA-O 3.26Å; A526-L536 HydrophobicContact CB-CD2 3.72Å; A526-V557 HydrophobicContact CB-CG2 4.38Å; A526-F559 HydrophobicContact CB-CD2 4.46Å; A526-F559 HydrophobicContact CB-CE2 3.52Å; A526-F559 HydrophobicContact CB-CZ 3.84Å; A526-L567 HydrophobicContact CB-CD1 3.49Å; A526-L567 VanDerWaalsContact CB-CD1 3.49Å
527	S	98.6	Very high	97.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	146.6	174.6	62.4	0	0	0	0	112.5	H508 S514 V534 K535 W537	H508-S527 PolarHBondContact NE2-OG 2.96Å; S514-S527 CarbonylContact O-C 3.51Å; S514-S527 VanDerWaalsContact O-CA 3.23Å; S514-S527 WeakPolarHBondContact O-CA 3.24Å; S527-V534 CarbonylContact O-C 3.58Å; S527-V534 VanDerWaalsContact O-CA 3.26Å; S527-V534 WeakPolarHBondContact O-CA 3.29Å; S527-K535 PolarHBondContact N-O 2.86Å; S527-K535 PolarHBondContact O-N 2.83Å; S527-W537 PolarHBondContact OG-NE1 2.99Å
528	G	98.3	Very high	97.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.4	177.8	0	0	0	0	0	112.6	C512 W513 S514	C512-G528 CarbonylContact C-O 3.59Å; C512-G528 WeakPolarHBondContact CA-O 3.33Å; C512-G528 PolarHBondContact SG-O 3.17Å; W513-G528 PolarHBondContact N-O 2.91Å; S514-G528 PolarHBondContact O-N 3Å
529	S	98.4	Very high	97.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	163	-172	168.7	0	0	0	0	114.5	H508 K510 R511 D531 A532 K533 V554	H508-S529 VanDerWaalsContact ND1-CB 3.29Å; H508-S529 WeakPolarHBondContact ND1-CB 3.31Å; K510-S529 PolarHBondContact O-OG 2.79Å; R511-S529 WeakPolarHBondContact O-CA 3.37Å; R511-S529 WeakPolarHBondContact O-CB 3.18Å; R511-S529 PolarHBondContact O-OG 2.93Å; S529-D531 VanDerWaalsContact CB-OD1 3.25Å; S529-D531 WeakPolarHBondContact CB-OD1 3.47Å; S529-D531 PolarHBondContact O-N 3.07Å; S529-D531 PolarHBondContact OG-N 3.27Å; S529-D531 VanDerWaalsContact OG-N 3.11Å; S529-D531 PolarHBondContact OG-OD1 2.83Å; S529-A532 PolarHBondContact O-N 2.89Å; S529-A532 VanDerWaalsContact O-N 3.15Å; S529-K533 PolarHBondContact N-O 3.28Å; S529-V554 PolarHBondContact O-N 3.09Å
530	D	98.1	Very high	97.2	Very high	27 Å²	27	27.7 Å²	27.7	14%	0.144	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-9.5	166.2	-78.4	-32.4	0	0	0	113.7	K510 R511 W513 A532 N553	K510-D530 HydrophobicContact CB-CB 3.84Å; K510-D530 HydrophobicContact CD-CB 4Å; K510-D530 WeakPolarHBondContact CD-O 3.38Å; K510-D530 PolarHBondContact NZ-O 2.79Å; R511-D530 PolarHBondContact O-N 2.84Å; W513-D530 PolarHBondContact NE1-OD1 3.4Å; W513-D530 PolarHBondContact NE1-OD2 3.11Å; D530-A532 PolarHBondContact O-N 2.96Å; D530-N553 PolarHBondContact OD1-ND2 2.72Å
531	D	97.4	Very high	97.3	Very high	15 Å²	15	26.6 Å²	26.6	8%	0.08	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	2.2	169.6	72.5	5.9	0	0	0	114.1	H508 E509 K510 S529 K533	H508-D531 VanDerWaalsContact CA-OD2 3.27Å; H508-D531 WeakPolarHBondContact CA-OD2 3.26Å; H508-D531 IonicContact CE1-OD1 3.25Å; H508-D531 IonicContact CE1-OD2 2.61Å; H508-D531 IonicContact CG-OD2 3.91Å; H508-D531 IonicContact ND1-OD1 2.66Å; H508-D531 PolarHBondContact ND1-OD1 3.29Å; H508-D531 IonicContact ND1-OD2 2.67Å; H508-D531 PolarHBondContact ND1-OD2 3.04Å; E509-D531 HydrophobicContact CB-CB 4.15Å; E509-D531 PolarHBondContact N-OD2 2.84Å; E509-D531 VanDerWaalsContact N-OD2 3.17Å; K510-D531 HydrophobicContact CB-CB 4.46Å; K510-D531 HydrophobicContact CG-CB 4.35Å; S529-D531 VanDerWaalsContact CB-OD1 3.25Å; S529-D531 WeakPolarHBondContact CB-OD1 3.47Å; S529-D531 PolarHBondContact O-N 3.07Å; S529-D531 PolarHBondContact OG-N 3.27Å; S529-D531 VanDerWaalsContact OG-N 3.11Å; S529-D531 PolarHBondContact OG-OD1 2.83Å; D531-K533 VanDerWaalsContact C-N 3.27Å; D531-K533 PolarHBondContact O-N 3.47Å; D531-K533 VanDerWaalsContact OD1-CB 3.3Å; D531-K533 WeakPolarHBondContact OD1-CB 3.49Å; D531-K533 PolarHBondContact OD1-N 2.91Å
532	A	97.4	Very high	97.3	Very high	20 Å²	20	30.3 Å²	30.3	17%	0.165	16%	0.161	C	C	.	.	S	Bend	trans	64	22.2	-177.7	0	0	0	0	0	114.8	S529 D530 A550 A552	S529-A532 PolarHBondContact O-N 2.89Å; S529-A532 VanDerWaalsContact O-N 3.15Å; D530-A532 PolarHBondContact O-N 2.96Å; A532-A550 WeakPolarHBondContact O-CB 3.34Å; A532-A550 PolarHBondContact O-N 2.9Å; A532-A552 WeakPolarHBondContact CB-O 3.3Å
533	K	97.7	Very high	97.4	Very high	44 Å²	44	33.8 Å²	33.8	19%	0.191	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	141.8	175.6	-60	165.8	-172.4	175.5	0	110.7	H508 E509 S529 D531 I548	H508-K533 PolarHBondContact CE1-O 2.79Å; E509-K533 IonicContact OE1-NZ 2.75Å; E509-K533 PolarHBondContact OE1-NZ 2.88Å; S529-K533 PolarHBondContact N-O 3.28Å; D531-K533 VanDerWaalsContact C-N 3.27Å; D531-K533 PolarHBondContact O-N 3.47Å; D531-K533 VanDerWaalsContact OD1-CB 3.3Å; D531-K533 WeakPolarHBondContact OD1-CB 3.49Å; D531-K533 PolarHBondContact OD1-N 2.91Å; K533-I548 WeakPolarHBondContact CA-O 3.27Å
534	V	98.3	Very high	97.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	114.7	157.1	-179.8	0	0	0	0	107.6	S527 S547 I548 V554 V557 L567 F569	S527-V534 CarbonylContact O-C 3.58Å; S527-V534 VanDerWaalsContact O-CA 3.26Å; S527-V534 WeakPolarHBondContact O-CA 3.29Å; V534-S547 CarbonylContact O-C 3.59Å; V534-S547 WeakPolarHBondContact O-CA 3.33Å; V534-I548 HydrophobicContact CB-CB 4.23Å; V534-I548 PolarHBondContact N-O 2.9Å; V534-I548 PolarHBondContact O-N 2.78Å; V534-V554 HydrophobicContact CG2-CB 4.45Å; V534-V554 HydrophobicContact CG2-CG1 4.02Å; V534-V554 HydrophobicContact CG2-CG2 3.91Å; V534-V557 HydrophobicContact CG1-CG1 4.06Å; V534-V557 HydrophobicContact CG2-CG1 4.1Å; V534-L567 HydrophobicContact CG1-CD1 4.47Å; V534-L567 HydrophobicContact CG1-CD2 4.39Å; V534-F569 HydrophobicContact CG2-CB 4.37Å; V534-F569 HydrophobicContact CG2-CD1 3.76Å; V534-F569 HydrophobicContact CG2-CD2 4.35Å; V534-F569 HydrophobicContact CG2-CE1 3.95Å; V534-F569 HydrophobicContact CG2-CG 3.96Å; V534-F569 HydrophobicContact CG2-CZ 4.34Å
535	K	98.3	Very high	97.4	Very high	18 Å²	18	32.6 Å²	32.6	8%	0.078	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	140.2	174.9	-74.5	179.1	174.7	-78.8	0	110.3	E507 A526 S527 W537	E507-K535 HydrophobicContact CB-CD 4.02Å; E507-K535 VanDerWaalsContact O-CE 3.25Å; E507-K535 WeakPolarHBondContact O-CE 3.39Å; E507-K535 IonicContact OE2-NZ 2.67Å; E507-K535 PolarHBondContact OE2-NZ 2.83Å; A526-K535 CarbonylContact C-O 3.56Å; A526-K535 VanDerWaalsContact CA-O 3.26Å; A526-K535 WeakPolarHBondContact CA-O 3.26Å; S527-K535 PolarHBondContact N-O 2.86Å; S527-K535 PolarHBondContact O-N 2.83Å; K535-W537 HydrophobicContact CB-CH2 4.42Å; K535-W537 HydrophobicContact CB-CZ2 3.66Å; K535-W537 HydrophobicContact CD-CH2 3.65Å; K535-W537 HydrophobicContact CD-CZ2 3.51Å; K535-W537 HydrophobicContact CG-CZ2 4.22Å
536	L	98.3	Very high	97.3	Very high	8 Å²	8	34.1 Å²	34.1	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137	167.4	-59.5	-173.6	0	0	0	109	L524 L525 A526 S544 V545 A546 F559 L567 L581	L524-L536 HydrophobicContact CD1-CB 4.45Å; L525-L536 WeakPolarHBondContact O-CA 3.3Å; A526-L536 HydrophobicContact CB-CD2 3.72Å; L536-S544 CarbonylContact O-C 3.49Å; L536-S544 WeakPolarHBondContact O-CA 3.22Å; L536-S544 VanDerWaalsContact O-CB 3.22Å; L536-S544 WeakPolarHBondContact O-CB 3.26Å; L536-V545 HydrophobicContact CB-CG2 3.61Å; L536-V545 PolarHBondContact O-N 2.9Å; L536-A546 HydrophobicContact CB-CB 4.43Å; L536-A546 HydrophobicContact CD1-CB 4.08Å; L536-A546 HydrophobicContact CG-CB 4.39Å; L536-A546 PolarHBondContact N-O 2.79Å; L536-F559 HydrophobicContact CD2-CZ 4.35Å; L536-L567 HydrophobicContact CD2-CD1 4.18Å; L536-L581 HydrophobicContact CD1-CB 4.36Å; L536-L581 HydrophobicContact CD1-CD1 3.86Å; L536-L581 HydrophobicContact CD1-CD2 4.09Å; L536-L581 HydrophobicContact CD1-CG 4.31Å; L536-L581 HydrophobicContact CD2-CD1 4.13Å; L536-L581 HydrophobicContact CD2-CD2 4.33Å
537	W	98.2	Very high	97.2	Very high	1 Å²	1	36.2 Å²	36.2	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	149.9	179.2	-43.9	90.1	0	0	0	110.2	Y505 E507 L524 L525 S527 K535	Y505-W537 HydrophobicContact CD1-CD2 4.13Å; Y505-W537 AromaticContact CD1-CE3 3.44Å; Y505-W537 HydrophobicContact CD1-CE3 3.44Å; Y505-W537 VanDerWaalsContact CD1-CE3 3.44Å; Y505-W537 AromaticContact CD1-CZ3 3.83Å; Y505-W537 HydrophobicContact CD1-CZ3 3.83Å; Y505-W537 HydrophobicContact CD2-CB 4.37Å; Y505-W537 HydrophobicContact CD2-CD2 4.08Å; Y505-W537 HydrophobicContact CD2-CE3 4.23Å; Y505-W537 HydrophobicContact CD2-CG 4.16Å; Y505-W537 HydrophobicContact CE1-CB 4.42Å; Y505-W537 HydrophobicContact CE1-CE3 4.03Å; Y505-W537 HydrophobicContact CE2-CB 4Å; Y505-W537 HydrophobicContact CE2-CG 4.28Å; Y505-W537 AromaticContact CG-CD2 3.85Å; Y505-W537 HydrophobicContact CG-CD2 3.85Å; Y505-W537 AromaticContact CG-CE3 3.56Å; Y505-W537 HydrophobicContact CG-CE3 3.56Å; Y505-W537 HydrophobicContact CG-CG 4.38Å; Y505-W537 HydrophobicContact CG-CH2 4.43Å; Y505-W537 AromaticContact CG-CZ3 3.89Å; Y505-W537 HydrophobicContact CG-CZ3 3.89Å; E507-W537 HydrophobicContact CB-CH2 3.8Å; E507-W537 HydrophobicContact CB-CZ3 4.37Å; E507-W537 HydrophobicContact CG-CH2 3.78Å; E507-W537 HydrophobicContact CG-CZ3 3.85Å; L524-W537 WeakPolarHBondContact CA-O 3.41Å; L525-W537 HydrophobicContact CD2-CB 3.91Å; L525-W537 HydrophobicContact CG-CB 3.95Å; L525-W537 HydrophobicContact CG-CG 4.39Å; L525-W537 PolarHBondContact N-O 3.15Å; L525-W537 VanDerWaalsContact N-O 3.09Å; L525-W537 PolarHBondContact O-N 2.98Å; S527-W537 PolarHBondContact OG-NE1 2.99Å; K535-W537 HydrophobicContact CB-CH2 4.42Å; K535-W537 HydrophobicContact CB-CZ2 3.66Å; K535-W537 HydrophobicContact CD-CH2 3.65Å; K535-W537 HydrophobicContact CD-CZ2 3.51Å; K535-W537 HydrophobicContact CG-CZ2 4.22Å
538	S	97.3	Very high	97.2	Very high	18 Å²	18	36.4 Å²	36.4	13%	0.126	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132.7	165	-170.8	0	0	0	0	110.7	Y505 K523 N540 L541	Y505-S538 PolarHBondContact OH-O 2.86Å; K523-S538 CarbonylContact O-C 3.48Å; K523-S538 WeakPolarHBondContact O-CA 3.34Å; K523-S538 PolarHBondContact O-OG 2.84Å; S538-N540 PolarHBondContact O-N 3Å; S538-L541 PolarHBondContact O-N 3.03Å
539	T	96.4	Very high	97.1	Very high	26 Å²	26	43.6 Å²	43.6	16%	0.16	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-28.5	173.2	54.1	0	0	0	0	113.4	L481 L493 K503 F517 K523 L525	L481-T539 HydrophobicContact CD2-CG2 4.29Å; L493-T539 HydrophobicContact CD1-CG2 3.96Å; K503-T539 WeakPolarHBondContact CE-O 3.45Å; F517-T539 HydrophobicContact CE1-CG2 4.33Å; K523-T539 WeakPolarHBondContact CA-OG1 3.36Å; K523-T539 PolarHBondContact O-N 3.47Å; L525-T539 HydrophobicContact CD2-CG2 4.32Å
540	N	95.3	Very high	96.9	Very high	102 Å²	102	44.5 Å²	44.5	55%	0.545	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-5.1	-176.1	-70.6	40.8	0	0	0	113.8	S538	S538-N540 PolarHBondContact O-N 3Å
541	L	96	Very high	96.6	Very high	89 Å²	89	52 Å²	52	47%	0.466	28%	0.282	S	S	.	.			trans	-126.6	160.8	-176.8	-61.8	173.3	0	0	0	109.8	Y505 S538 V545	Y505-L541 WeakPolarHBondContact CE1-O 3.43Å; Y505-L541 PolarHBondContact OH-O 2.88Å; S538-L541 PolarHBondContact O-N 3.03Å; L541-V545 HydrophobicContact CD1-CG1 3.65Å
542	D	95.3	Very high	96.6	Very high	103 Å²	103	52.5 Å²	52.5	55%	0.551	29%	0.287	S	S	*	.	S	Bend	trans	-97.3	-17.2	-179.6	-64.5	-75.8	0	0	0	113.2	K503 Y505	K503-D542 IonicContact NZ-OD1 3.2Å; K503-D542 PolarHBondContact NZ-OD1 2.91Å; K503-D542 IonicContact NZ-OD2 2.69Å; K503-D542 PolarHBondContact NZ-OD2 3.25Å; Y505-D542 WeakPolarHBondContact CD1-O 3.35Å
543	N	95.9	Very high	96.6	Very high	112 Å²	112	54.4 Å²	54.4	60%	0.599	30%	0.295	S	S	*	.	S	Bend	trans	-114.9	163.6	-179.5	-59.6	-17.1	0	0	0	111.1	E507	E507-N543 WeakPolarHBondContact OE1-CA 3.36Å; E507-N543 WeakPolarHBondContact OE1-CB 3.39Å
544	S	97.3	Very high	96.6	Very high	31 Å²	31	52.3 Å²	52.3	22%	0.217	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	140.6	174.8	64.3	0	0	0	0	112	E507 L536	E507-S544 PolarHBondContact OE1-N 2.99Å; E507-S544 WeakPolarHBondContact OE2-CB 3.47Å; E507-S544 PolarHBondContact OE2-OG 2.93Å; L536-S544 CarbonylContact O-C 3.49Å; L536-S544 WeakPolarHBondContact O-CA 3.22Å; L536-S544 VanDerWaalsContact O-CB 3.22Å; L536-S544 WeakPolarHBondContact O-CB 3.26Å
545	V	97.1	Very high	96.6	Very high	70 Å²	70	52.9 Å²	52.9	42%	0.424	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-23.8	179.1	-61.8	0	0	0	0	112.7	L524 L536 L541	L524-V545 HydrophobicContact CD1-CG2 3.97Å; L536-V545 HydrophobicContact CB-CG2 3.61Å; L536-V545 PolarHBondContact O-N 2.9Å; L541-V545 HydrophobicContact CD1-CG1 3.65Å
546	A	96	Very high	96.6	Very high	33 Å²	33	52.3 Å²	52.3	27%	0.273	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	160.6	171.6	0	0	0	0	0	110.4	L536	L536-A546 HydrophobicContact CB-CB 4.43Å; L536-A546 HydrophobicContact CD1-CB 4.08Å; L536-A546 HydrophobicContact CG-CB 4.39Å; L536-A546 PolarHBondContact N-O 2.79Å
547	S	96.4	Very high	96.6	Very high	44 Å²	44	52 Å²	52	31%	0.308	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	138.6	169.6	-167.7	0	0	0	0	109	V534	V534-S547 CarbonylContact O-C 3.59Å; V534-S547 WeakPolarHBondContact O-CA 3.33Å
548	I	97.4	Very high	96.6	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.015	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	127	169.6	-44.9	-178.6	0	0	0	106.9	K533 V534 Y579 L581 T584	K533-I548 WeakPolarHBondContact CA-O 3.27Å; V534-I548 HydrophobicContact CB-CB 4.23Å; V534-I548 PolarHBondContact N-O 2.9Å; V534-I548 PolarHBondContact O-N 2.78Å; I548-Y579 HydrophobicContact CD1-CD1 4.25Å; I548-Y579 HydrophobicContact CD1-CG 4.2Å; I548-Y579 HydrophobicContact CG2-CD1 4.25Å; I548-Y579 HydrophobicContact CG2-CE1 3.76Å; I548-Y579 HydrophobicContact CG2-CE2 4.19Å; I548-L581 HydrophobicContact CD1-CD2 3.96Å; I548-T584 HydrophobicContact CD1-CG2 3.95Å; I548-T584 HydrophobicContact CG1-CG2 3.77Å
549	E	96.1	Very high	96.6	Very high	152 Å²	152	52.8 Å²	52.8	71%	0.71	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	118.8	176.7	-62.4	-172.2	151.9	0	0	109.7
550	A	95.2	Very high	96.6	Very high	18 Å²	18	51.6 Å²	51.6	15%	0.149	28%	0.28	C	S	.	.			trans	-90.8	164.4	174.7	0	0	0	0	0	110.7	A532 A552 V554 F569	A532-A550 WeakPolarHBondContact O-CB 3.34Å; A532-A550 PolarHBondContact O-N 2.9Å; A550-A552 VanDerWaalsContact C-N 3.31Å; A550-A552 WeakPolarHBondContact CB-O 3.37Å; A550-A552 PolarHBondContact O-N 3.21Å; A550-V554 HydrophobicContact CB-CG2 3.69Å; A550-F569 HydrophobicContact CB-CE2 3.75Å; A550-F569 HydrophobicContact CB-CZ 3.98Å
551	K	92.3	Very high	96.5	Very high	186 Å²	186	49.1 Å²	49.1	81%	0.809	27%	0.27	S	S	*	.	S	Bend	trans	-78.7	-15.2	-179	-65	-176.6	178	-177.5	0	113.9
552	A	96.6	Very high	96.4	Very high	24 Å²	24	48.7 Å²	48.7	20%	0.198	27%	0.274	C	S	.	.	S	Bend	trans	-158.6	179.1	177.9	0	0	0	0	0	109.3	A532 A550 A572 D573	A532-A552 WeakPolarHBondContact CB-O 3.3Å; A550-A552 VanDerWaalsContact C-N 3.31Å; A550-A552 WeakPolarHBondContact CB-O 3.37Å; A550-A552 PolarHBondContact O-N 3.21Å; A552-A572 HydrophobicContact CB-CB 3.92Å; A552-D573 HydrophobicContact CB-CB 4.39Å
553	N	97.6	Very high	96.3	Very high	60 Å²	60	44.9 Å²	44.9	32%	0.321	26%	0.255	S	S	.	.			trans	-48	137	178.9	-53	34.4	0	0	0	112	D530 A572	D530-N553 PolarHBondContact OD1-ND2 2.72Å; N553-A572 HydrophobicContact CB-CB 4.02Å; N553-A572 WeakPolarHBondContact O-CB 3.36Å; N553-A572 PolarHBondContact O-N 2.96Å
554	V	98.2	Very high	96.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	117.8	177.2	-176.7	0	0	0	0	109.4	S529 V534 A550 V557 F569	S529-V554 PolarHBondContact O-N 3.09Å; V534-V554 HydrophobicContact CG2-CB 4.45Å; V534-V554 HydrophobicContact CG2-CG1 4.02Å; V534-V554 HydrophobicContact CG2-CG2 3.91Å; A550-V554 HydrophobicContact CB-CG2 3.69Å; V554-V557 HydrophobicContact CG1-CG1 3.89Å; V554-F569 HydrophobicContact CG1-CB 3.95Å; V554-F569 HydrophobicContact CG1-CD2 3.96Å; V554-F569 HydrophobicContact CG1-CG 4.24Å; V554-F569 HydrophobicContact CG2-CD2 4.12Å; V554-F569 HydrophobicContact CG2-CE2 4.19Å
555	C	97.7	Very high	96.3	Very high	13 Å²	13	47.2 Å²	47.2	9%	0.088	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-25.6	-174.8	-60.1	0	0	0	0	113	W513 G570 V598 F641	W513-C555 VanDerWaalsContact CB-O 3.29Å; W513-C555 WeakPolarHBondContact CB-O 3.4Å; C555-G570 PolarHBondContact N-O 2.92Å; C555-V598 VanDerWaalsContact CB-O 3.32Å; C555-V598 WeakPolarHBondContact CB-O 3.26Å; C555-F641 HydrophobicContact CB-CE1 4.1Å; C555-F641 HydrophobicContact CB-CZ 4.14Å
556	C	97.7	Very high	96.2	Very high	5 Å²	5	46 Å²	46	3%	0.034	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	146.5	179.2	54.7	0	0	0	0	112.1	F569 G570 Y600 A601	C556-F569 CarbonylContact O-C 3.59Å; C556-F569 WeakPolarHBondContact O-CA 3.45Å; C556-F569 WeakPolarHBondContact O-CB 3.21Å; C556-G570 PolarHBondContact O-N 2.66Å; C556-G570 WeakPolarHBondContact SG-CA 3.2Å; C556-G570 PolarHBondContact SG-N 2.85Å; C556-G570 VanDerWaalsContact SG-N 3.36Å; C556-Y600 WeakPolarHBondContact SG-CA 3.36Å; C556-A601 PolarHBondContact SG-N 3.43Å
557	V	98.2	Very high	96.3	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142.1	172.1	-61.6	0	0	0	0	109.9	S514 D516 A526 V534 V554 F569	S514-V557 PolarHBondContact OG-N 2.89Å; S514-V557 PolarHBondContact OG-O 2.86Å; D516-V557 HydrophobicContact CB-CG2 4.33Å; A526-V557 HydrophobicContact CB-CG2 4.38Å; V534-V557 HydrophobicContact CG1-CG1 4.06Å; V534-V557 HydrophobicContact CG2-CG1 4.1Å; V554-V557 HydrophobicContact CG1-CG1 3.89Å; V557-F569 HydrophobicContact CG1-CB 3.96Å
558	K	98.1	Very high	96.4	Very high	35 Å²	35	42.4 Å²	42.4	15%	0.152	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	135.9	173.2	-97.4	-76.8	151.7	-168.8	0	111.3	D516 A568 A601 K602 F603	D516-K558 VanDerWaalsContact CG-NZ 3.33Å; D516-K558 VanDerWaalsContact OD1-CE 3.27Å; D516-K558 WeakPolarHBondContact OD1-CE 3.35Å; D516-K558 IonicContact OD1-NZ 2.67Å; D516-K558 PolarHBondContact OD1-NZ 3.18Å; D516-K558 WeakPolarHBondContact OD2-CA 3.33Å; D516-K558 VanDerWaalsContact OD2-CD 3.31Å; D516-K558 WeakPolarHBondContact OD2-CD 3.17Å; D516-K558 IonicContact OD2-NZ 2.83Å; K558-A568 PolarHBondContact N-O 3.42Å; K558-A568 PolarHBondContact O-N 3.06Å; K558-A601 WeakPolarHBondContact CG-O 3.29Å; K558-K602 HydrophobicContact CD-CD 4.21Å; K558-K602 HydrophobicContact CG-CD 4.16Å; K558-F603 HydrophobicContact CB-CD2 4.23Å; K558-F603 HydrophobicContact CB-CE2 4.28Å
559	F	97.9	Very high	96.4	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	151.9	166.4	-78.8	-86.3	0	0	0	111.9	D516 N518 L524 A526 L536 L567 L581 F603	D516-F559 HydrophobicContact CB-CD2 4.37Å; D516-F559 WeakPolarHBondContact O-CE2 3.15Å; D516-F559 PolarHBondContact OD2-N 3.2Å; N518-F559 HydrophobicContact CB-CD1 3.79Å; N518-F559 HydrophobicContact CB-CD2 3.95Å; N518-F559 HydrophobicContact CB-CE1 3.74Å; N518-F559 HydrophobicContact CB-CE2 3.9Å; N518-F559 HydrophobicContact CB-CG 3.89Å; N518-F559 HydrophobicContact CB-CZ 3.8Å; N518-F559 VanDerWaalsContact CG-CD1 3.49Å; N518-F559 WeakPolarHBondContact ND2-CE1 3.4Å; L524-F559 HydrophobicContact CD2-CE1 3.79Å; L524-F559 HydrophobicContact CD2-CZ 3.79Å; L524-F559 HydrophobicContact CG-CZ 4.12Å; A526-F559 HydrophobicContact CB-CD2 4.46Å; A526-F559 HydrophobicContact CB-CE2 3.52Å; A526-F559 HydrophobicContact CB-CZ 3.84Å; L536-F559 HydrophobicContact CD2-CZ 4.35Å; F559-L567 HydrophobicContact CE1-CD1 4.22Å; F559-L567 HydrophobicContact CE2-CD1 4.29Å; F559-L567 HydrophobicContact CZ-CD1 4.08Å; F559-L581 HydrophobicContact CE1-CD1 3.6Å; F559-L581 HydrophobicContact CZ-CD1 4.29Å; F559-F603 WeakPolarHBondContact O-CD2 3.14Å; F559-F603 WeakPolarHBondContact O-CE2 3.2Å
560	S	96	Very high	96.5	Very high	1 Å²	1	35 Å²	35	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	133.7	169.6	-179.2	0	0	0	0	110.6	S562 H566	S560-S562 PolarHBondContact O-N 3.27Å; S560-S562 PolarHBondContact OG-N 3.36Å; S560-H566 WeakPolarHBondContact CB-O 3.31Å; S560-H566 PolarHBondContact N-O 2.83Å
561	P	93	Very high	96.5	Very high	50 Å²	50	34.1 Å²	34.1	33%	0.325	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.4	175.3	29.3	-36	0	0	0	113.4	L519 F603	L519-P561 HydrophobicContact CD1-CB 3.85Å; P561-F603 HydrophobicContact CG-CB 4.04Å
562	S	93.6	Very high	96.8	Very high	80 Å²	80	26.7 Å²	26.7	56%	0.559	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-4.5	-175.2	-52.9	0	0	0	0	114.1	S560 G606	S560-S562 PolarHBondContact O-N 3.27Å; S560-S562 PolarHBondContact OG-N 3.36Å; S562-G606 VanDerWaalsContact OG-CA 3.26Å; S562-G606 WeakPolarHBondContact OG-CA 3.46Å
563	S	95	Very high	96.7	Very high	23 Å²	23	27.7 Å²	27.7	16%	0.161	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	120	-179.6	174.7	0	0	0	0	112.2	Y565 H566	S563-Y565 PolarHBondContact O-N 3.37Å; S563-Y565 PolarHBondContact OG-N 3.44Å; S563-H566 WeakPolarHBondContact CB-ND1 3.41Å; S563-H566 PolarHBondContact O-N 2.8Å; S563-H566 VanDerWaalsContact O-N 3.16Å; S563-H566 PolarHBondContact OG-ND1 3.31Å
564	R	95.6	Very high	96.7	Very high	101 Å²	101	28.6 Å²	28.6	38%	0.381	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	-13.7	173.9	73	-173.7	-73.1	-156.4	1.5	114.4	N518 M520 D521	N518-R564 PolarHBondContact ND2-O 2.96Å; N518-R564 WeakPolarHBondContact OD1-CA 3.49Å; M520-R564 HydrophobicContact CB-CB 3.74Å; D521-R564 HydrophobicContact CB-CB 4.29Å; D521-R564 IonicContact OD2-CZ 3.4Å; D521-R564 IonicContact OD2-NE 2.92Å; D521-R564 PolarHBondContact OD2-NE 3.27Å; D521-R564 IonicContact OD2-NH2 2.7Å; D521-R564 PolarHBondContact OD2-NH2 2.93Å
565	Y	96.1	Very high	96.6	Very high	91 Å²	91	29.3 Å²	29.3	36%	0.357	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-4.5	-177.6	-57.7	-67	0	0	0	113.4	S563 D580 L581 R582	S563-Y565 PolarHBondContact O-N 3.37Å; S563-Y565 PolarHBondContact OG-N 3.44Å; Y565-D580 CarbonylContact O-C 3.57Å; Y565-D580 WeakPolarHBondContact O-CA 3.38Å; Y565-L581 WeakPolarHBondContact O-CG 3.45Å; Y565-L581 PolarHBondContact O-N 3.32Å; Y565-R582 HydrophobicContact CD1-CG 3.69Å; Y565-R582 HydrophobicContact CE1-CG 4.21Å; Y565-R582 HydrophobicContact CG-CG 4.01Å
566	H	96.7	Very high	96.6	Very high	45 Å²	45	28.7 Å²	28.7	21%	0.208	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.6	-176.8	-62.9	167.8	0	0	0	111.1	S560 S563 Y578 Y579	S560-H566 WeakPolarHBondContact CB-O 3.31Å; S560-H566 PolarHBondContact N-O 2.83Å; S563-H566 WeakPolarHBondContact CB-ND1 3.41Å; S563-H566 PolarHBondContact O-N 2.8Å; S563-H566 VanDerWaalsContact O-N 3.16Å; S563-H566 PolarHBondContact OG-ND1 3.31Å; H566-Y578 HydrophobicContact CB-CE2 3.9Å; H566-Y578 WeakPolarHBondContact CB-OH 3.47Å; H566-Y578 PolarHBondContact ND1-OH 2.9Å; H566-Y579 WeakPolarHBondContact CA-O 3.31Å
567	L	97.1	Very high	96.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.7	-179.7	-177.4	149.3	0	0	0	110	A526 V534 L536 F559 F569 Y578 Y579 L581	A526-L567 HydrophobicContact CB-CD1 3.49Å; A526-L567 VanDerWaalsContact CB-CD1 3.49Å; V534-L567 HydrophobicContact CG1-CD1 4.47Å; V534-L567 HydrophobicContact CG1-CD2 4.39Å; L536-L567 HydrophobicContact CD2-CD1 4.18Å; F559-L567 HydrophobicContact CE1-CD1 4.22Å; F559-L567 HydrophobicContact CE2-CD1 4.29Å; F559-L567 HydrophobicContact CZ-CD1 4.08Å; L567-F569 HydrophobicContact CD2-CB 4.25Å; L567-F569 HydrophobicContact CD2-CD1 3.84Å; L567-Y578 WeakPolarHBondContact O-CA 3.48Å; L567-Y579 PolarHBondContact N-O 3Å; L567-Y579 VanDerWaalsContact N-O 3.11Å; L567-Y579 PolarHBondContact O-N 2.91Å; L567-L581 HydrophobicContact CB-CD1 4.47Å; L567-L581 HydrophobicContact CB-CD2 3.96Å; L567-L581 HydrophobicContact CB-CG 4.38Å; L567-L581 HydrophobicContact CD1-CD2 4.43Å
568	A	97.7	Very high	96.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142.9	170.1	0	0	0	0	0	110.2	K558 V576 H577 Y578 F603 I609	K558-A568 PolarHBondContact N-O 3.42Å; K558-A568 PolarHBondContact O-N 3.06Å; A568-V576 HydrophobicContact CB-CG1 4.39Å; A568-H577 CarbonylContact C-O 3.59Å; A568-H577 WeakPolarHBondContact CA-O 3.26Å; A568-Y578 HydrophobicContact CB-CD2 4.2Å; A568-F603 HydrophobicContact CB-CE2 3.73Å; A568-F603 HydrophobicContact CB-CZ 3.68Å; A568-I609 HydrophobicContact CB-CD1 4.07Å
569	F	97.9	Very high	96.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	140.9	171	68.3	-103.1	0	0	0	112.9	V534 A550 V554 C556 V557 L567 C571 V576 H577 Y579	V534-F569 HydrophobicContact CG2-CB 4.37Å; V534-F569 HydrophobicContact CG2-CD1 3.76Å; V534-F569 HydrophobicContact CG2-CD2 4.35Å; V534-F569 HydrophobicContact CG2-CE1 3.95Å; V534-F569 HydrophobicContact CG2-CG 3.96Å; V534-F569 HydrophobicContact CG2-CZ 4.34Å; A550-F569 HydrophobicContact CB-CE2 3.75Å; A550-F569 HydrophobicContact CB-CZ 3.98Å; V554-F569 HydrophobicContact CG1-CB 3.95Å; V554-F569 HydrophobicContact CG1-CD2 3.96Å; V554-F569 HydrophobicContact CG1-CG 4.24Å; V554-F569 HydrophobicContact CG2-CD2 4.12Å; V554-F569 HydrophobicContact CG2-CE2 4.19Å; C556-F569 CarbonylContact O-C 3.59Å; C556-F569 WeakPolarHBondContact O-CA 3.45Å; C556-F569 WeakPolarHBondContact O-CB 3.21Å; V557-F569 HydrophobicContact CG1-CB 3.96Å; L567-F569 HydrophobicContact CD2-CB 4.25Å; L567-F569 HydrophobicContact CD2-CD1 3.84Å; F569-C571 HydrophobicContact CD2-CB 4.39Å; F569-C571 HydrophobicContact CE2-CB 4.34Å; F569-V576 WeakPolarHBondContact O-CA 3.42Å; F569-H577 HydrophobicContact CD1-CB 4.21Å; F569-H577 HydrophobicContact CD2-CB 4.08Å; F569-H577 HydrophobicContact CE1-CB 3.88Å; F569-H577 HydrophobicContact CE2-CB 3.71Å; F569-H577 AromaticContact CE2-CD2 3.72Å; F569-H577 AromaticContact CE2-CG 3.78Å; F569-H577 HydrophobicContact CG-CB 4.32Å; F569-H577 HydrophobicContact CZ-CB 3.61Å; F569-H577 AromaticContact CZ-CG 3.94Å; F569-H577 PolarHBondContact N-O 2.91Å; F569-H577 PolarHBondContact O-N 2.86Å; F569-Y579 HydrophobicContact CD1-CD2 4.2Å; F569-Y579 HydrophobicContact CD1-CE2 4.49Å; F569-Y579 AromaticContact CE1-CD2 3.45Å; F569-Y579 HydrophobicContact CE1-CD2 3.45Å; F569-Y579 VanDerWaalsContact CE1-CD2 3.45Å; F569-Y579 AromaticContact CE1-CE2 3.4Å; F569-Y579 HydrophobicContact CE1-CE2 3.4Å; F569-Y579 HydrophobicContact CZ-CD2 4.21Å; F569-Y579 AromaticContact CZ-CE2 3.69Å; F569-Y579 HydrophobicContact CZ-CE2 3.69Å
570	G	97.6	Very high	96.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.3	174.1	0	0	0	0	0	110.6	C555 C556	C555-G570 PolarHBondContact N-O 2.92Å; C556-G570 PolarHBondContact O-N 2.66Å; C556-G570 WeakPolarHBondContact SG-CA 3.2Å; C556-G570 PolarHBondContact SG-N 2.85Å; C556-G570 VanDerWaalsContact SG-N 3.36Å
571	C	96.8	Very high	96.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	153.3	-172.1	-174.6	0	0	0	0	111.4	F569 D573 H574 C575 V598	F569-C571 HydrophobicContact CD2-CB 4.39Å; F569-C571 HydrophobicContact CE2-CB 4.34Å; C571-D573 VanDerWaalsContact CB-OD1 3.23Å; C571-D573 WeakPolarHBondContact CB-OD1 3.44Å; C571-D573 PolarHBondContact O-N 2.87Å; C571-D573 PolarHBondContact SG-N 3.15Å; C571-D573 PolarHBondContact SG-OD1 3.11Å; C571-D573 VanDerWaalsContact SG-OD1 3.4Å; C571-H574 PolarHBondContact O-N 3.05Å; C571-C575 PolarHBondContact N-O 3.33Å; C571-C575 VanDerWaalsContact N-O 3.15Å; C571-V598 PolarHBondContact O-N 2.85Å
572	A	96.9	Very high	96.4	Very high	29 Å²	29	36.3 Å²	36.3	24%	0.24	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.8	171.4	0	0	0	0	0	113.1	A552 N553 H574 A597	A552-A572 HydrophobicContact CB-CB 3.92Å; N553-A572 HydrophobicContact CB-CB 4.02Å; N553-A572 WeakPolarHBondContact O-CB 3.36Å; N553-A572 PolarHBondContact O-N 2.96Å; A572-H574 PolarHBondContact O-CE1 3.26Å; A572-H574 PolarHBondContact O-N 3.24Å; A572-H574 VanDerWaalsContact O-N 3.12Å; A572-H574 PolarHBondContact O-ND1 3.39Å; A572-A597 HydrophobicContact CB-CB 4.34Å
573	D	96.3	Very high	96.4	Very high	46 Å²	46	35.9 Å²	35.9	25%	0.246	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	12.2	171.8	74.6	7.2	0	0	0	114.9	A552 C571 C575 H577	A552-D573 HydrophobicContact CB-CB 4.39Å; C571-D573 VanDerWaalsContact CB-OD1 3.23Å; C571-D573 WeakPolarHBondContact CB-OD1 3.44Å; C571-D573 PolarHBondContact O-N 2.87Å; C571-D573 PolarHBondContact SG-N 3.15Å; C571-D573 PolarHBondContact SG-OD1 3.11Å; C571-D573 VanDerWaalsContact SG-OD1 3.4Å; D573-C575 PolarHBondContact O-N 2.94Å; D573-C575 PolarHBondContact O-SG 3.44Å; D573-C575 VanDerWaalsContact OD1-CB 3.27Å; D573-C575 WeakPolarHBondContact OD1-CB 3.41Å; D573-C575 PolarHBondContact OD1-N 3.01Å; D573-C575 VanDerWaalsContact OD1-N 3.11Å; D573-H577 VanDerWaalsContact CG-NE2 3.35Å; D573-H577 IonicContact OD1-CD2 3.67Å; D573-H577 IonicContact OD1-NE2 3.83Å; D573-H577 PolarHBondContact OD1-NE2 2.85Å; D573-H577 IonicContact OD2-CE1 3.86Å; D573-H577 PolarHBondContact OD2-CE1 3.02Å; D573-H577 VanDerWaalsContact OD2-CE1 3.24Å; D573-H577 IonicContact OD2-NE2 2.71Å; D573-H577 PolarHBondContact OD2-NE2 2.73Å
574	H	96.9	Very high	96.3	Very high	78 Å²	78	37.1 Å²	37.1	36%	0.361	17%	0.173	S	C	.	.	S	Bend	trans	69	12.7	175.8	-43	1.5	0	0	0	113.9	C571 A572 R595 K596 A597	C571-H574 PolarHBondContact O-N 3.05Å; A572-H574 PolarHBondContact O-CE1 3.26Å; A572-H574 PolarHBondContact O-N 3.24Å; A572-H574 VanDerWaalsContact O-N 3.12Å; A572-H574 PolarHBondContact O-ND1 3.39Å; H574-R595 PolarHBondContact CD2-O 3.26Å; H574-R595 VanDerWaalsContact CD2-O 3.32Å; H574-R595 PolarHBondContact NE2-O 3.12Å; H574-K596 WeakPolarHBondContact CA-O 3.26Å; H574-K596 VanDerWaalsContact CB-O 3.3Å; H574-K596 WeakPolarHBondContact CB-O 3.19Å; H574-K596 VanDerWaalsContact ND1-C 3.29Å; H574-A597 PolarHBondContact ND1-N 2.92Å
575	C	96.3	Very high	96	Very high	15 Å²	15	41.4 Å²	41.4	10%	0.101	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	156.5	177.3	-52.2	0	0	0	0	111.9	C571 D573 V590 F591	C571-C575 PolarHBondContact N-O 3.33Å; C571-C575 VanDerWaalsContact N-O 3.15Å; D573-C575 PolarHBondContact O-N 2.94Å; D573-C575 PolarHBondContact O-SG 3.44Å; D573-C575 VanDerWaalsContact OD1-CB 3.27Å; D573-C575 WeakPolarHBondContact OD1-CB 3.41Å; D573-C575 PolarHBondContact OD1-N 3.01Å; D573-C575 VanDerWaalsContact OD1-N 3.11Å; C575-V590 HydrophobicContact CB-CG1 3.66Å; C575-F591 VanDerWaalsContact CA-O 3.29Å; C575-F591 WeakPolarHBondContact CA-O 3.48Å; C575-F591 WeakPolarHBondContact CB-O 3.22Å
576	V	97.6	Very high	95.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.7	159.2	-178.8	0	0	0	0	107.6	A568 F569 F591 V598 A601	A568-V576 HydrophobicContact CB-CG1 4.39Å; F569-V576 WeakPolarHBondContact O-CA 3.42Å; V576-F591 HydrophobicContact CB-CB 4.17Å; V576-F591 HydrophobicContact CB-CD2 3.98Å; V576-F591 HydrophobicContact CG1-CD2 4.08Å; V576-F591 PolarHBondContact N-O 2.84Å; V576-F591 VanDerWaalsContact N-O 3.15Å; V576-F591 WeakPolarHBondContact O-CD2 3.18Å; V576-F591 PolarHBondContact O-N 2.91Å; V576-V598 HydrophobicContact CG2-CG1 3.92Å; V576-V598 HydrophobicContact CG2-CG2 4.28Å; V576-A601 HydrophobicContact CG1-CB 4.41Å
577	H	97.1	Very high	95.7	Very high	10 Å²	10	43 Å²	43	5%	0.046	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	138	176.7	-61.1	-104.4	0	0	0	109.3	A568 F569 D573 Y579	A568-H577 CarbonylContact C-O 3.59Å; A568-H577 WeakPolarHBondContact CA-O 3.26Å; F569-H577 HydrophobicContact CD1-CB 4.21Å; F569-H577 HydrophobicContact CD2-CB 4.08Å; F569-H577 HydrophobicContact CE1-CB 3.88Å; F569-H577 HydrophobicContact CE2-CB 3.71Å; F569-H577 AromaticContact CE2-CD2 3.72Å; F569-H577 AromaticContact CE2-CG 3.78Å; F569-H577 HydrophobicContact CG-CB 4.32Å; F569-H577 HydrophobicContact CZ-CB 3.61Å; F569-H577 AromaticContact CZ-CG 3.94Å; F569-H577 PolarHBondContact N-O 2.91Å; F569-H577 PolarHBondContact O-N 2.86Å; D573-H577 VanDerWaalsContact CG-NE2 3.35Å; D573-H577 IonicContact OD1-CD2 3.67Å; D573-H577 IonicContact OD1-NE2 3.83Å; D573-H577 PolarHBondContact OD1-NE2 2.85Å; D573-H577 IonicContact OD2-CE1 3.86Å; D573-H577 PolarHBondContact OD2-CE1 3.02Å; D573-H577 VanDerWaalsContact OD2-CE1 3.24Å; D573-H577 IonicContact OD2-NE2 2.71Å; D573-H577 PolarHBondContact OD2-NE2 2.73Å; H577-Y579 HydrophobicContact CB-CD2 4.22Å; H577-Y579 HydrophobicContact CB-CE2 3.94Å
578	Y	97.3	Very high	95.6	Very high	5 Å²	5	46.9 Å²	46.9	2%	0.02	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	124	-179.3	-179.9	-113.8	0	0	0	110.1	H566 L567 A568 P587 I588 M589 F591 F603 I609 V623	H566-Y578 HydrophobicContact CB-CE2 3.9Å; H566-Y578 WeakPolarHBondContact CB-OH 3.47Å; H566-Y578 PolarHBondContact ND1-OH 2.9Å; L567-Y578 WeakPolarHBondContact O-CA 3.48Å; A568-Y578 HydrophobicContact CB-CD2 4.2Å; Y578-P587 CarbonylContact O-C 3.58Å; Y578-I588 HydrophobicContact CD1-CB 4.03Å; Y578-I588 HydrophobicContact CD1-CD1 3.83Å; Y578-I588 HydrophobicContact CD1-CG1 4.41Å; Y578-I588 HydrophobicContact CE1-CD1 3.64Å; Y578-I588 PolarHBondContact O-N 3.22Å; Y578-M589 PolarHBondContact N-O 2.85Å; Y578-M589 PolarHBondContact O-N 3.04Å; Y578-F591 HydrophobicContact CG-CE2 4.46Å; Y578-F603 HydrophobicContact CD2-CZ 4.26Å; Y578-F603 HydrophobicContact CE2-CE1 4.05Å; Y578-F603 AromaticContact CE2-CZ 3.84Å; Y578-F603 HydrophobicContact CE2-CZ 3.84Å; Y578-I609 HydrophobicContact CD2-CD1 4.12Å; Y578-I609 HydrophobicContact CE2-CD1 4.49Å; Y578-V623 HydrophobicContact CD1-CG1 4.16Å; Y578-V623 HydrophobicContact CE1-CB 4.47Å; Y578-V623 HydrophobicContact CE1-CG1 3.37Å; Y578-V623 HydrophobicContact CE1-CG2 4.37Å; Y578-V623 HydrophobicContact CE2-CG2 4.49Å
579	Y	96.9	Very high	95.5	Very high	17 Å²	17	48.9 Å²	48.9	7%	0.067	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	147.5	-167.2	-88.3	-93.9	0	0	0	112.6	I548 H566 L567 F569 H577 T584 Q586 P587	I548-Y579 HydrophobicContact CD1-CD1 4.25Å; I548-Y579 HydrophobicContact CD1-CG 4.2Å; I548-Y579 HydrophobicContact CG2-CD1 4.25Å; I548-Y579 HydrophobicContact CG2-CE1 3.76Å; I548-Y579 HydrophobicContact CG2-CE2 4.19Å; H566-Y579 WeakPolarHBondContact CA-O 3.31Å; L567-Y579 PolarHBondContact N-O 3Å; L567-Y579 VanDerWaalsContact N-O 3.11Å; L567-Y579 PolarHBondContact O-N 2.91Å; F569-Y579 HydrophobicContact CD1-CD2 4.2Å; F569-Y579 HydrophobicContact CD1-CE2 4.49Å; F569-Y579 AromaticContact CE1-CD2 3.45Å; F569-Y579 HydrophobicContact CE1-CD2 3.45Å; F569-Y579 VanDerWaalsContact CE1-CD2 3.45Å; F569-Y579 AromaticContact CE1-CE2 3.4Å; F569-Y579 HydrophobicContact CE1-CE2 3.4Å; F569-Y579 HydrophobicContact CZ-CD2 4.21Å; F569-Y579 AromaticContact CZ-CE2 3.69Å; F569-Y579 HydrophobicContact CZ-CE2 3.69Å; H577-Y579 HydrophobicContact CB-CD2 4.22Å; H577-Y579 HydrophobicContact CB-CE2 3.94Å; Y579-T584 WeakPolarHBondContact CE1-O 3.22Å; Y579-Q586 WeakPolarHBondContact CE1-O 3.2Å; Y579-P587 HydrophobicContact CD2-CB 4.08Å; Y579-P587 HydrophobicContact CE1-CB 4.27Å; Y579-P587 HydrophobicContact CE2-CB 3.72Å
580	D	96.3	Very high	95.4	Very high	27 Å²	27	51.1 Å²	51.1	14%	0.144	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	118.8	159.8	-170.7	-20.3	0	0	0	108.3	Y565 R582 N583 I588	Y565-D580 CarbonylContact O-C 3.57Å; Y565-D580 WeakPolarHBondContact O-CA 3.38Å; D580-R582 VanDerWaalsContact CG-NE 3.35Å; D580-R582 PolarHBondContact O-N 3.39Å; D580-R582 VanDerWaalsContact O-N 3.12Å; D580-R582 WeakPolarHBondContact OD1-CB 3.48Å; D580-R582 VanDerWaalsContact OD1-CG 3.24Å; D580-R582 WeakPolarHBondContact OD1-CG 3.32Å; D580-R582 IonicContact OD1-CZ 3.58Å; D580-R582 PolarHBondContact OD1-N 3.4Å; D580-R582 IonicContact OD1-NE 2.66Å; D580-R582 PolarHBondContact OD1-NE 3.46Å; D580-R582 IonicContact OD1-NH2 3.19Å; D580-R582 IonicContact OD2-CZ 2.63Å; D580-R582 IonicContact OD2-NE 3.03Å; D580-R582 PolarHBondContact OD2-NE 3.49Å; D580-R582 IonicContact OD2-NH2 2.76Å; D580-R582 PolarHBondContact OD2-NH2 2.86Å; D580-N583 CarbonylContact O-C 3.57Å; D580-N583 VanDerWaalsContact O-C 3.26Å; D580-N583 PolarHBondContact O-N 2.79Å; D580-I588 HydrophobicContact CB-CD1 3.91Å; D580-I588 HydrophobicContact CB-CG1 4.1Å
581	L	94.9	Very high	95.3	Very high	28 Å²	28	51.1 Å²	51.1	15%	0.147	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.9	179.5	-56.2	-175.7	0	0	0	112.7	L524 L536 I548 F559 Y565 L567 N583	L524-L581 HydrophobicContact CD2-CD1 4.12Å; L536-L581 HydrophobicContact CD1-CB 4.36Å; L536-L581 HydrophobicContact CD1-CD1 3.86Å; L536-L581 HydrophobicContact CD1-CD2 4.09Å; L536-L581 HydrophobicContact CD1-CG 4.31Å; L536-L581 HydrophobicContact CD2-CD1 4.13Å; L536-L581 HydrophobicContact CD2-CD2 4.33Å; I548-L581 HydrophobicContact CD1-CD2 3.96Å; F559-L581 HydrophobicContact CE1-CD1 3.6Å; F559-L581 HydrophobicContact CZ-CD1 4.29Å; Y565-L581 WeakPolarHBondContact O-CG 3.45Å; Y565-L581 PolarHBondContact O-N 3.32Å; L567-L581 HydrophobicContact CB-CD1 4.47Å; L567-L581 HydrophobicContact CB-CD2 3.96Å; L567-L581 HydrophobicContact CB-CG 4.38Å; L567-L581 HydrophobicContact CD1-CD2 4.43Å; L581-N583 VanDerWaalsContact C-N 3.33Å
582	R	94.7	Very high	95.3	Very high	167 Å²	167	58.3 Å²	58.3	63%	0.63	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-18.2	171.1	-55.9	173.2	-65.2	-179.1	2.3	112.9	Y565 D580	Y565-R582 HydrophobicContact CD1-CG 3.69Å; Y565-R582 HydrophobicContact CE1-CG 4.21Å; Y565-R582 HydrophobicContact CG-CG 4.01Å; D580-R582 VanDerWaalsContact CG-NE 3.35Å; D580-R582 PolarHBondContact O-N 3.39Å; D580-R582 VanDerWaalsContact O-N 3.12Å; D580-R582 WeakPolarHBondContact OD1-CB 3.48Å; D580-R582 VanDerWaalsContact OD1-CG 3.24Å; D580-R582 WeakPolarHBondContact OD1-CG 3.32Å; D580-R582 IonicContact OD1-CZ 3.58Å; D580-R582 PolarHBondContact OD1-N 3.4Å; D580-R582 IonicContact OD1-NE 2.66Å; D580-R582 PolarHBondContact OD1-NE 3.46Å; D580-R582 IonicContact OD1-NH2 3.19Å; D580-R582 IonicContact OD2-CZ 2.63Å; D580-R582 IonicContact OD2-NE 3.03Å; D580-R582 PolarHBondContact OD2-NE 3.49Å; D580-R582 IonicContact OD2-NH2 2.76Å; D580-R582 PolarHBondContact OD2-NH2 2.86Å
583	N	93.4	Very high	95.1	Very high	72 Å²	72	58.9 Å²	58.9	39%	0.385	29%	0.292	S	S	.	.			trans	-146	80	176.5	-177.2	17.1	0	0	0	111.5	D580 L581 K585	D580-N583 CarbonylContact O-C 3.57Å; D580-N583 VanDerWaalsContact O-C 3.26Å; D580-N583 PolarHBondContact O-N 2.79Å; L581-N583 VanDerWaalsContact C-N 3.33Å; N583-K585 PolarHBondContact O-N 3.26Å; N583-K585 VanDerWaalsContact O-N 3.13Å
584	T	91.9	Very high	95.1	Very high	49 Å²	49	57.3 Å²	57.3	30%	0.301	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-2	-178.6	55.5	0	0	0	0	115	I548 Y579 Q586	I548-T584 HydrophobicContact CD1-CG2 3.95Å; I548-T584 HydrophobicContact CG1-CG2 3.77Å; Y579-T584 WeakPolarHBondContact CE1-O 3.22Å; T584-Q586 VanDerWaalsContact C-N 3.32Å; T584-Q586 PolarHBondContact O-N 2.9Å
585	K	90.1	Very high	95	Very high	191 Å²	191	60.4 Å²	60.4	83%	0.83	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-24.2	-177.4	-66.5	-175.2	176.4	-178.3	0	114.1	N583	N583-K585 PolarHBondContact O-N 3.26Å; N583-K585 VanDerWaalsContact O-N 3.13Å
586	Q	91.3	Very high	95.1	Very high	127 Å²	127	63.1 Å²	63.1	59%	0.593	30%	0.301	S	S	*	.	S	Bend	trans	-149.4	143.8	-180	66.5	-172.4	27.8	0	0	110.2	Y579 T584	Y579-Q586 WeakPolarHBondContact CE1-O 3.2Å; T584-Q586 VanDerWaalsContact C-N 3.32Å; T584-Q586 PolarHBondContact O-N 2.9Å
587	P	94.9	Very high	95	Very high	41 Å²	41	64.4 Å²	64.4	27%	0.266	31%	0.312	S	S	.	.			trans	-65.3	150.1	170	28	-32.5	0	0	0	110	Y578 Y579 V590	Y578-P587 CarbonylContact O-C 3.58Å; Y579-P587 HydrophobicContact CD2-CB 4.08Å; Y579-P587 HydrophobicContact CE1-CB 4.27Å; Y579-P587 HydrophobicContact CE2-CB 3.72Å; P587-V590 HydrophobicContact CB-CG2 3.85Å; P587-V590 HydrophobicContact CG-CG2 3.4Å; P587-V590 VanDerWaalsContact CG-CG2 3.4Å
588	I	95.2	Very high	95	Very high	82 Å²	82	63.9 Å²	63.9	42%	0.421	31%	0.31	S	S	.	.	S	Bend	trans	-67.5	-47.1	165.8	-47	170.5	0	0	0	108.4	Y578 D580	Y578-I588 HydrophobicContact CD1-CB 4.03Å; Y578-I588 HydrophobicContact CD1-CD1 3.83Å; Y578-I588 HydrophobicContact CD1-CG1 4.41Å; Y578-I588 HydrophobicContact CE1-CD1 3.64Å; Y578-I588 PolarHBondContact O-N 3.22Å; D580-I588 HydrophobicContact CB-CD1 3.91Å; D580-I588 HydrophobicContact CB-CG1 4.1Å
589	M	95.3	Very high	95	Very high	42 Å²	42	63.8 Å²	63.8	21%	0.207	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	145.8	-177.7	-66.3	-65.6	-81.8	0	0	111.2	Y578 F591 P626	Y578-M589 PolarHBondContact N-O 2.85Å; Y578-M589 PolarHBondContact O-N 3.04Å; M589-F591 HydrophobicContact CB-CE1 4.09Å; M589-F591 HydrophobicContact CB-CE2 4.07Å; M589-F591 HydrophobicContact CB-CZ 3.74Å; M589-F591 HydrophobicContact CE-CE1 4.23Å; M589-F591 HydrophobicContact CG-CZ 4.29Å; M589-P626 HydrophobicContact CE-CB 3.8Å; M589-P626 HydrophobicContact CE-CG 4.46Å
590	V	95.9	Very high	95.1	Very high	48 Å²	48	65 Å²	65	29%	0.291	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	102.6	170.3	-176.6	0	0	0	0	107.9	C575 P587 K592	C575-V590 HydrophobicContact CB-CG1 3.66Å; P587-V590 HydrophobicContact CB-CG2 3.85Å; P587-V590 HydrophobicContact CG-CG2 3.4Å; P587-V590 VanDerWaalsContact CG-CG2 3.4Å; V590-K592 PolarHBondContact O-N 3.42Å
591	F	96.4	Very high	95.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	118.2	-177.3	-57.9	-71	0	0	0	110.1	C575 V576 Y578 M589 I609 W621 N622 K625	C575-F591 VanDerWaalsContact CA-O 3.29Å; C575-F591 WeakPolarHBondContact CA-O 3.48Å; C575-F591 WeakPolarHBondContact CB-O 3.22Å; V576-F591 HydrophobicContact CB-CB 4.17Å; V576-F591 HydrophobicContact CB-CD2 3.98Å; V576-F591 HydrophobicContact CG1-CD2 4.08Å; V576-F591 PolarHBondContact N-O 2.84Å; V576-F591 VanDerWaalsContact N-O 3.15Å; V576-F591 WeakPolarHBondContact O-CD2 3.18Å; V576-F591 PolarHBondContact O-N 2.91Å; Y578-F591 HydrophobicContact CG-CE2 4.46Å; M589-F591 HydrophobicContact CB-CE1 4.09Å; M589-F591 HydrophobicContact CB-CE2 4.07Å; M589-F591 HydrophobicContact CB-CZ 3.74Å; M589-F591 HydrophobicContact CE-CE1 4.23Å; M589-F591 HydrophobicContact CG-CZ 4.29Å; F591-I609 HydrophobicContact CE2-CD1 3.92Å; F591-I609 HydrophobicContact CZ-CD1 4.46Å; F591-W621 HydrophobicContact CB-CD2 3.73Å; F591-W621 HydrophobicContact CB-CE3 3.6Å; F591-W621 HydrophobicContact CB-CG 4.31Å; F591-W621 HydrophobicContact CB-CH2 4.18Å; F591-W621 HydrophobicContact CB-CZ2 4.31Å; F591-W621 HydrophobicContact CB-CZ3 3.82Å; F591-W621 HydrophobicContact CD1-CB 4.02Å; F591-W621 HydrophobicContact CD1-CD2 4.21Å; F591-W621 AromaticContact CD1-CE3 3.9Å; F591-W621 HydrophobicContact CD1-CE3 3.9Å; F591-W621 HydrophobicContact CD1-CG 4.28Å; F591-W621 HydrophobicContact CE1-CB 4.19Å; F591-W621 HydrophobicContact CG-CB 4.3Å; F591-W621 HydrophobicContact CG-CD2 4.07Å; F591-W621 HydrophobicContact CG-CE3 4.04Å; F591-W621 HydrophobicContact CG-CG 4.18Å; F591-N622 WeakPolarHBondContact CE1-O 3.31Å; F591-K625 WeakPolarHBondContact CE1-O 3.3Å
592	K	95	Very high	95.2	Very high	151 Å²	151	64 Å²	64	66%	0.657	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.6	-176.4	-67.9	-177.1	175.5	-177.6	0	110.9	V590 W621	V590-K592 PolarHBondContact O-N 3.42Å; K592-W621 WeakPolarHBondContact O-CH2 3.12Å; K592-W621 WeakPolarHBondContact O-CZ3 3.48Å
593	G	93	Very high	95.3	Very high	40 Å²	40	57.1 Å²	57.1	41%	0.412	28%	0.283	S	S	.	.			trans	155.8	-8.7	170.9	0	0	0	0	0	117.2	K619	G593-K619 WeakPolarHBondContact O-CE 3.24Å
594	H	96.4	Very high	95.3	Very high	13 Å²	13	54.6 Å²	54.6	6%	0.06	27%	0.27	C	S	.	.			trans	-77.2	155.6	165.5	-74.5	-73.3	0	0	0	110.8	V598 S611 S613 D615 Q617	H594-V598 HydrophobicContact CB-CG2 4.46Å; H594-S611 PolarHBondContact NE2-OG 3.49Å; H594-S613 WeakPolarHBondContact ND1-CB 3.33Å; H594-D615 WeakPolarHBondContact CA-OD2 3.23Å; H594-D615 IonicContact CE1-OD1 3.74Å; H594-D615 IonicContact CG-OD1 3.85Å; H594-D615 IonicContact ND1-OD1 3.98Å; H594-D615 PolarHBondContact ND1-OD1 3.4Å; H594-D615 IonicContact ND1-OD2 3.26Å; H594-Q617 PolarHBondContact CE1-O 3.04Å
595	R	96.3	Very high	95.2	Very high	144 Å²	144	54.1 Å²	54.1	54%	0.543	27%	0.269	S	S	.	.	S	Bend	trans	-103	-1.7	-179.8	-62.5	179.6	-48.4	-50.9	-8.6	114.2	H574 D615	H574-R595 PolarHBondContact CD2-O 3.26Å; H574-R595 VanDerWaalsContact CD2-O 3.32Å; H574-R595 PolarHBondContact NE2-O 3.12Å; R595-D615 HydrophobicContact CB-CB 4.14Å; R595-D615 IonicContact CZ-OD2 3.53Å; R595-D615 PolarHBondContact N-OD2 3.48Å; R595-D615 IonicContact NH1-OD2 2.66Å; R595-D615 PolarHBondContact NH1-OD2 3.22Å; R595-D615 PolarHBondContact NH2-O 2.64Å; R595-D615 IonicContact NH2-OD2 2.66Å
596	K	97	Very high	95.2	Very high	71 Å²	71	45.7 Å²	45.7	31%	0.309	24%	0.236	S	C	.	.	S	Bend	trans	-145.2	177.6	176.5	-75.4	168.4	170.8	-178.5	0	109.1	H574 S613 T614 D615 E638	H574-K596 WeakPolarHBondContact CA-O 3.26Å; H574-K596 VanDerWaalsContact CB-O 3.3Å; H574-K596 WeakPolarHBondContact CB-O 3.19Å; H574-K596 VanDerWaalsContact ND1-C 3.29Å; K596-S613 PolarHBondContact O-OG 3.4Å; K596-S613 VanDerWaalsContact O-OG 3.04Å; K596-T614 WeakPolarHBondContact CB-OG1 3.4Å; K596-T614 VanDerWaalsContact CD-C 3.44Å; K596-T614 WeakPolarHBondContact CD-O 3.48Å; K596-T614 WeakPolarHBondContact CE-O 3.28Å; K596-T614 PolarHBondContact NZ-O 3.3Å; K596-D615 HydrophobicContact CB-CB 4.17Å; K596-D615 HydrophobicContact CD-CB 4.26Å; K596-D615 HydrophobicContact CG-CB 4.4Å; K596-E638 PolarHBondContact NZ-O 2.87Å; K596-E638 IonicContact NZ-OE2 3.32Å
597	A	95.8	Very high	95.2	Very high	27 Å²	27	45.1 Å²	45.1	22%	0.223	23%	0.233	C	C	.	.			trans	-50.2	142.1	177	0	0	0	0	0	113	A572 H574 S599 S613 T614	A572-A597 HydrophobicContact CB-CB 4.34Å; H574-A597 PolarHBondContact ND1-N 2.92Å; A597-S599 PolarHBondContact O-N 2.87Å; A597-S613 WeakPolarHBondContact O-CA 3.39Å; A597-S613 VanDerWaalsContact O-CB 3.3Å; A597-S613 WeakPolarHBondContact O-CB 3.42Å; A597-S613 PolarHBondContact O-OG 2.91Å; A597-T614 PolarHBondContact O-N 2.72Å
598	V	97.8	Very high	95.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	104.6	176.1	-178.1	0	0	0	0	109	C555 C571 V576 H594 Y600 A612	C555-V598 VanDerWaalsContact CB-O 3.32Å; C555-V598 WeakPolarHBondContact CB-O 3.26Å; C571-V598 PolarHBondContact O-N 2.85Å; V576-V598 HydrophobicContact CG2-CG1 3.92Å; V576-V598 HydrophobicContact CG2-CG2 4.28Å; H594-V598 HydrophobicContact CB-CG2 4.46Å; V598-Y600 WeakPolarHBondContact CG1-O 3.48Å; V598-A612 CarbonylContact C-O 3.48Å; V598-A612 WeakPolarHBondContact CA-O 3.32Å; V598-A612 WeakPolarHBondContact CG1-O 3.2Å
599	S	96.8	Very high	95.3	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-35.8	-176.2	50.9	0	0	0	0	113	A597 A612	A597-S599 PolarHBondContact O-N 2.87Å; S599-A612 PolarHBondContact N-O 2.79Å; S599-A612 PolarHBondContact OG-O 2.91Å
600	Y	97.9	Very high	95.4	Very high	42 Å²	42	38.7 Å²	38.7	17%	0.165	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	147.1	177.7	-66.4	-85.4	0	0	0	112.2	C556 V598 S611 A612 F641 G643 L644	C556-Y600 WeakPolarHBondContact SG-CA 3.36Å; V598-Y600 WeakPolarHBondContact CG1-O 3.48Å; Y600-S611 CarbonylContact O-C 3.57Å; Y600-S611 WeakPolarHBondContact O-CA 3.44Å; Y600-S611 WeakPolarHBondContact O-CB 3.42Å; Y600-A612 PolarHBondContact N-O 2.85Å; Y600-A612 PolarHBondContact O-N 3.4Å; Y600-F641 HydrophobicContact CD2-CD1 4.5Å; Y600-F641 HydrophobicContact CE2-CB 4.02Å; Y600-F641 AromaticContact CE2-CD1 3.84Å; Y600-F641 HydrophobicContact CE2-CD1 3.84Å; Y600-F641 HydrophobicContact CE2-CG 4.4Å; Y600-G643 VanDerWaalsContact CE2-N 3.26Å; Y600-L644 HydrophobicContact CD2-CB 4.31Å; Y600-L644 HydrophobicContact CG-CB 3.95Å
601	A	97.6	Very high	95.5	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.033	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	130.2	165.4	0	0	0	0	0	107.9	C556 K558 V576 V610	C556-A601 PolarHBondContact SG-N 3.43Å; K558-A601 WeakPolarHBondContact CG-O 3.29Å; V576-A601 HydrophobicContact CG1-CB 4.41Å; A601-V610 WeakPolarHBondContact CA-O 3.36Å
602	K	96.8	Very high	95.6	Very high	30 Å²	30	36.4 Å²	36.4	13%	0.13	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	148.4	176.2	-64.5	-88.1	-166.7	165.7	0	108	E424 K558 V610 L644	E424-K602 IonicContact OE1-NZ 3.21Å; E424-K602 PolarHBondContact OE1-NZ 3.48Å; E424-K602 IonicContact OE2-NZ 3.24Å; K558-K602 HydrophobicContact CD-CD 4.21Å; K558-K602 HydrophobicContact CG-CD 4.16Å; K602-V610 HydrophobicContact CB-CG1 4.25Å; K602-V610 PolarHBondContact N-O 3.36Å; K602-V610 WeakPolarHBondContact O-CG1 3.3Å; K602-V610 PolarHBondContact O-N 3.23Å; K602-V610 VanDerWaalsContact O-O 3.12Å; K602-L644 WeakPolarHBondContact CE-O 3.16Å; K602-L644 HydrophobicContact CG-CD2 4.39Å; K602-L644 HydrophobicContact CG-CG 4.4Å
603	F	95.9	Very high	95.7	Very high	22 Å²	22	29.2 Å²	29.2	10%	0.096	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	136.8	171.8	-73.7	-94.2	0	0	0	109.9	K558 F559 P561 A568 Y578 S605 I609 S646	K558-F603 HydrophobicContact CB-CD2 4.23Å; K558-F603 HydrophobicContact CB-CE2 4.28Å; F559-F603 WeakPolarHBondContact O-CD2 3.14Å; F559-F603 WeakPolarHBondContact O-CE2 3.2Å; P561-F603 HydrophobicContact CG-CB 4.04Å; A568-F603 HydrophobicContact CB-CE2 3.73Å; A568-F603 HydrophobicContact CB-CZ 3.68Å; Y578-F603 HydrophobicContact CD2-CZ 4.26Å; Y578-F603 HydrophobicContact CE2-CE1 4.05Å; Y578-F603 AromaticContact CE2-CZ 3.84Å; Y578-F603 HydrophobicContact CE2-CZ 3.84Å; F603-S605 WeakPolarHBondContact CD1-O 3.27Å; F603-I609 HydrophobicContact CD1-CD1 4.45Å; F603-I609 HydrophobicContact CD1-CG1 3.66Å; F603-I609 HydrophobicContact CE1-CD1 3.77Å; F603-I609 HydrophobicContact CE1-CG1 3.48Å; F603-I609 VanDerWaalsContact CE1-CG1 3.48Å; F603-I609 HydrophobicContact CG-CG1 4.39Å; F603-I609 HydrophobicContact CZ-CD1 4.05Å; F603-I609 HydrophobicContact CZ-CG1 4.07Å; F603-S646 PolarHBondContact O-OG 3.47Å
604	V	93.3	Very high	95.9	Very high	19 Å²	19	28.3 Å²	28.3	12%	0.115	14%	0.139	C	C	.	.	S	Bend	trans	-91.2	-37.4	170.1	-175.9	0	0	0	0	109.2	E608 V610 L620 G648 K665	V604-E608 HydrophobicContact CB-CB 3.95Å; V604-E608 PolarHBondContact N-O 2.99Å; V604-V610 HydrophobicContact CG2-CB 3.7Å; V604-V610 HydrophobicContact CG2-CG1 3.56Å; V604-L620 HydrophobicContact CG2-CD1 3.98Å; V604-G648 WeakPolarHBondContact CG1-O 3.4Å; V604-K665 HydrophobicContact CG1-CD 3.9Å
605	S	90.4	Very high	95.9	Very high	40 Å²	40	27.9 Å²	27.9	28%	0.28	14%	0.137	S	C	.	.	S	Bend	trans	-150.1	-177.3	171	66.8	0	0	0	0	109	F603 E607 E608	F603-S605 WeakPolarHBondContact CD1-O 3.27Å; S605-E607 PolarHBondContact O-N 3.01Å; S605-E607 PolarHBondContact OG-N 3.43Å; S605-E608 PolarHBondContact N-O 3.07Å; S605-E608 PolarHBondContact O-N 3.38Å; S605-E608 WeakPolarHBondContact OG-CB 3.47Å; S605-E608 PolarHBondContact OG-N 3.48Å; S605-E608 PolarHBondContact OG-OE2 3.15Å
606	G	90.1	Very high	95.8	Very high	13 Å²	13	22.2 Å²	22.2	13%	0.134	12%	0.12	C	C	.	.	S	Bend	trans	-58.8	-27.9	171.8	0	0	0	0	0	113.9	S562	S562-G606 VanDerWaalsContact OG-CA 3.26Å; S562-G606 WeakPolarHBondContact OG-CA 3.46Å
607	E	91.8	Very high	95.8	Very high	115 Å²	115	20 Å²	20	54%	0.537	11%	0.111	S	C	.	.	S	Bend	trans	-101.9	-12.2	-174.7	-70.7	-59.9	137.8	0	0	114	S605 N622 V623	S605-E607 PolarHBondContact O-N 3.01Å; S605-E607 PolarHBondContact OG-N 3.43Å; E607-N622 CarbonylContact O-C 3.49Å; E607-N622 VanDerWaalsContact O-CA 3.27Å; E607-N622 WeakPolarHBondContact O-CA 3.46Å; E607-N622 PolarHBondContact O-ND2 3.26Å; E607-N622 PolarHBondContact OE2-ND2 2.86Å; E607-V623 PolarHBondContact O-N 3.42Å
608	E	95.3	Very high	95.9	Very high	30 Å²	30	18.8 Å²	18.8	14%	0.14	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.3	-172.6	-67	177	118.6	0	0	112	V604 S605 L620 W621 K665	V604-E608 HydrophobicContact CB-CB 3.95Å; V604-E608 PolarHBondContact N-O 2.99Å; S605-E608 PolarHBondContact N-O 3.07Å; S605-E608 PolarHBondContact O-N 3.38Å; S605-E608 WeakPolarHBondContact OG-CB 3.47Å; S605-E608 PolarHBondContact OG-N 3.48Å; S605-E608 PolarHBondContact OG-OE2 3.15Å; E608-L620 HydrophobicContact CB-CD1 4.26Å; E608-W621 WeakPolarHBondContact CA-O 3.38Å; E608-K665 WeakPolarHBondContact OE1-CE 3.03Å; E608-K665 IonicContact OE1-NZ 2.76Å; E608-K665 WeakPolarHBondContact OE2-CE 3.34Å; E608-K665 IonicContact OE2-NZ 2.66Å; E608-K665 PolarHBondContact OE2-NZ 3.27Å
609	I	97.2	Very high	95.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.3	175.6	-62	166.4	0	0	0	108.3	A568 Y578 F591 F603 W621 V623	A568-I609 HydrophobicContact CB-CD1 4.07Å; Y578-I609 HydrophobicContact CD2-CD1 4.12Å; Y578-I609 HydrophobicContact CE2-CD1 4.49Å; F591-I609 HydrophobicContact CE2-CD1 3.92Å; F591-I609 HydrophobicContact CZ-CD1 4.46Å; F603-I609 HydrophobicContact CD1-CD1 4.45Å; F603-I609 HydrophobicContact CD1-CG1 3.66Å; F603-I609 HydrophobicContact CE1-CD1 3.77Å; F603-I609 HydrophobicContact CE1-CG1 3.48Å; F603-I609 VanDerWaalsContact CE1-CG1 3.48Å; F603-I609 HydrophobicContact CG-CG1 4.39Å; F603-I609 HydrophobicContact CZ-CD1 4.05Å; F603-I609 HydrophobicContact CZ-CG1 4.07Å; I609-W621 HydrophobicContact CB-CB 4.48Å; I609-W621 PolarHBondContact N-O 3.34Å; I609-W621 PolarHBondContact O-N 3.43Å; I609-V623 HydrophobicContact CD1-CG2 4.18Å; I609-V623 HydrophobicContact CG1-CG2 4.45Å
610	V	97.9	Very high	95.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	136.2	165.7	61.4	0	0	0	0	109.9	A601 K602 V604 L618 K619 L644 I651	A601-V610 WeakPolarHBondContact CA-O 3.36Å; K602-V610 HydrophobicContact CB-CG1 4.25Å; K602-V610 PolarHBondContact N-O 3.36Å; K602-V610 WeakPolarHBondContact O-CG1 3.3Å; K602-V610 PolarHBondContact O-N 3.23Å; K602-V610 VanDerWaalsContact O-O 3.12Å; V604-V610 HydrophobicContact CG2-CB 3.7Å; V604-V610 HydrophobicContact CG2-CG1 3.56Å; V610-L618 HydrophobicContact CG2-CB 4.49Å; V610-K619 WeakPolarHBondContact CA-O 3.35Å; V610-L644 HydrophobicContact CG1-CD2 4.17Å; V610-L644 HydrophobicContact CG2-CD1 4.28Å; V610-L644 HydrophobicContact CG2-CD2 4.39Å; V610-I651 HydrophobicContact CB-CD1 4.36Å; V610-I651 HydrophobicContact CG2-CD1 4.01Å; V610-I651 HydrophobicContact CG2-CG1 4.46Å; V610-I651 HydrophobicContact CG2-CG2 4Å
611	S	97.8	Very high	95.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	146.9	173.6	61.6	0	0	0	0	112.8	H594 Y600 L618 K619 W621	H594-S611 PolarHBondContact NE2-OG 3.49Å; Y600-S611 CarbonylContact O-C 3.57Å; Y600-S611 WeakPolarHBondContact O-CA 3.44Å; Y600-S611 WeakPolarHBondContact O-CB 3.42Å; S611-L618 CarbonylContact O-C 3.59Å; S611-L618 WeakPolarHBondContact O-CA 3.36Å; S611-K619 PolarHBondContact N-O 2.84Å; S611-K619 PolarHBondContact O-N 2.91Å; S611-W621 PolarHBondContact OG-NE1 2.88Å
612	A	97.9	Very high	95.7	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.008	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	146	169.6	0	0	0	0	0	109.8	V598 S599 Y600 L618 L644	V598-A612 CarbonylContact C-O 3.48Å; V598-A612 WeakPolarHBondContact CA-O 3.32Å; V598-A612 WeakPolarHBondContact CG1-O 3.2Å; S599-A612 PolarHBondContact N-O 2.79Å; S599-A612 PolarHBondContact OG-O 2.91Å; Y600-A612 PolarHBondContact N-O 2.85Å; Y600-A612 PolarHBondContact O-N 3.4Å; A612-L618 HydrophobicContact CB-CD2 3.41Å; A612-L618 VanDerWaalsContact CB-CD2 3.41Å; A612-L644 HydrophobicContact CB-CB 4.31Å; A612-L644 HydrophobicContact CB-CD1 4.5Å; A612-L644 HydrophobicContact CB-CD2 4.01Å
613	S	97.4	Very high	95.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	160.4	175.6	171.2	0	0	0	0	109.3	H594 K596 A597 D615 Q617 N637	H594-S613 WeakPolarHBondContact ND1-CB 3.33Å; K596-S613 PolarHBondContact O-OG 3.4Å; K596-S613 VanDerWaalsContact O-OG 3.04Å; A597-S613 WeakPolarHBondContact O-CA 3.39Å; A597-S613 VanDerWaalsContact O-CB 3.3Å; A597-S613 WeakPolarHBondContact O-CB 3.42Å; A597-S613 PolarHBondContact O-OG 2.91Å; S613-D615 VanDerWaalsContact CB-OD1 3.26Å; S613-D615 WeakPolarHBondContact CB-OD1 3.36Å; S613-D615 PolarHBondContact O-N 2.92Å; S613-D615 PolarHBondContact OG-N 3.16Å; S613-D615 PolarHBondContact OG-OD1 3.17Å; S613-Q617 PolarHBondContact N-O 2.89Å; S613-N637 PolarHBondContact O-ND2 3.13Å
614	T	96.1	Very high	95.2	Very high	20 Å²	20	19.9 Å²	19.9	12%	0.123	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	18.7	173.7	49.6	0	0	0	0	113.4	K596 A597 N637 E638	K596-T614 WeakPolarHBondContact CB-OG1 3.4Å; K596-T614 VanDerWaalsContact CD-C 3.44Å; K596-T614 WeakPolarHBondContact CD-O 3.48Å; K596-T614 WeakPolarHBondContact CE-O 3.28Å; K596-T614 PolarHBondContact NZ-O 3.3Å; A597-T614 PolarHBondContact O-N 2.72Å; T614-N637 CarbonylContact C-O 3.54Å; T614-N637 WeakPolarHBondContact CA-O 3.49Å; T614-E638 CarbonylContact O-C 3.56Å; T614-E638 VanDerWaalsContact O-CA 3.27Å; T614-E638 WeakPolarHBondContact O-CA 3.46Å
615	D	95.9	Very high	94.9	Very high	5 Å²	5	23 Å²	23	3%	0.027	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	22.8	175.4	81.8	-29.4	0	0	0	114.1	H594 R595 K596 S613 Q617	H594-D615 WeakPolarHBondContact CA-OD2 3.23Å; H594-D615 IonicContact CE1-OD1 3.74Å; H594-D615 IonicContact CG-OD1 3.85Å; H594-D615 IonicContact ND1-OD1 3.98Å; H594-D615 PolarHBondContact ND1-OD1 3.4Å; H594-D615 IonicContact ND1-OD2 3.26Å; R595-D615 HydrophobicContact CB-CB 4.14Å; R595-D615 IonicContact CZ-OD2 3.53Å; R595-D615 PolarHBondContact N-OD2 3.48Å; R595-D615 IonicContact NH1-OD2 2.66Å; R595-D615 PolarHBondContact NH1-OD2 3.22Å; R595-D615 PolarHBondContact NH2-O 2.64Å; R595-D615 IonicContact NH2-OD2 2.66Å; K596-D615 HydrophobicContact CB-CB 4.17Å; K596-D615 HydrophobicContact CD-CB 4.26Å; K596-D615 HydrophobicContact CG-CB 4.4Å; S613-D615 VanDerWaalsContact CB-OD1 3.26Å; S613-D615 WeakPolarHBondContact CB-OD1 3.36Å; S613-D615 PolarHBondContact O-N 2.92Å; S613-D615 PolarHBondContact OG-N 3.16Å; S613-D615 PolarHBondContact OG-OD1 3.17Å; D615-Q617 PolarHBondContact O-N 3.1Å
616	S	95.9	Very high	94.6	Very high	24 Å²	24	25 Å²	25	17%	0.168	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	38.9	-175.7	-63.9	0	0	0	0	113.8	N637	S616-N637 PolarHBondContact N-O 2.81Å; S616-N637 PolarHBondContact OG-N 3Å; S616-N637 PolarHBondContact OG-O 2.81Å
617	Q	95.9	Very high	94.3	Very high	26 Å²	26	30.7 Å²	30.7	12%	0.121	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	141.4	176.8	-64	179.9	23.4	0	0	111.7	H594 S613 D615 F632 K633	H594-Q617 PolarHBondContact CE1-O 3.04Å; S613-Q617 PolarHBondContact N-O 2.89Å; D615-Q617 PolarHBondContact O-N 3.1Å; Q617-F632 WeakPolarHBondContact CA-O 3.41Å; Q617-K633 HydrophobicContact CG-CG 4.29Å
618	L	97.8	Very high	94.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	150.9	155.6	-49.1	-175.7	0	0	0	108.7	V610 S611 A612 S631 F632 L644 I651 C653 Y663	V610-L618 HydrophobicContact CG2-CB 4.49Å; S611-L618 CarbonylContact O-C 3.59Å; S611-L618 WeakPolarHBondContact O-CA 3.36Å; A612-L618 HydrophobicContact CB-CD2 3.41Å; A612-L618 VanDerWaalsContact CB-CD2 3.41Å; L618-S631 CarbonylContact O-C 3.57Å; L618-S631 WeakPolarHBondContact O-CA 3.43Å; L618-F632 HydrophobicContact CB-CB 4.11Å; L618-F632 HydrophobicContact CB-CD2 3.77Å; L618-F632 HydrophobicContact CB-CG 4.36Å; L618-F632 PolarHBondContact N-O 2.64Å; L618-F632 VanDerWaalsContact N-O 3.15Å; L618-F632 PolarHBondContact O-N 2.85Å; L618-L644 HydrophobicContact CD1-CD1 3.93Å; L618-L644 HydrophobicContact CD2-CD1 4.06Å; L618-I651 HydrophobicContact CD1-CG2 3.62Å; L618-C653 HydrophobicContact CD1-CB 4.1Å; L618-C653 HydrophobicContact CD2-CB 4.22Å; L618-Y663 HydrophobicContact CD1-CD2 4.02Å; L618-Y663 HydrophobicContact CD1-CE2 4.1Å
619	K	97.2	Very high	94.1	Very high	11 Å²	11	28.8 Å²	28.8	5%	0.048	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	138.4	173.8	-68.6	179.7	-169	-77.1	0	111.4	G593 V610 S611 W621 C628 R630 S631	G593-K619 WeakPolarHBondContact O-CE 3.24Å; V610-K619 WeakPolarHBondContact CA-O 3.35Å; S611-K619 PolarHBondContact N-O 2.84Å; S611-K619 PolarHBondContact O-N 2.91Å; K619-W621 HydrophobicContact CB-CH2 4.47Å; K619-W621 HydrophobicContact CB-CZ2 3.63Å; K619-W621 HydrophobicContact CD-CH2 3.83Å; K619-W621 HydrophobicContact CD-CZ2 3.57Å; K619-W621 HydrophobicContact CG-CZ2 4.21Å; K619-C628 HydrophobicContact CB-CB 4.33Å; K619-C628 HydrophobicContact CD-CB 4.44Å; K619-R630 WeakPolarHBondContact CA-O 3.36Å; K619-S631 PolarHBondContact NZ-OG 3.01Å
620	L	97.3	Very high	93.9	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	131.9	170	-169.9	68.4	0	0	0	108.9	V604 E608 C628 L629 R630 F632 K665	V604-L620 HydrophobicContact CG2-CD1 3.98Å; E608-L620 HydrophobicContact CB-CD1 4.26Å; L620-C628 CarbonylContact O-C 3.56Å; L620-C628 WeakPolarHBondContact O-CA 3.27Å; L620-L629 HydrophobicContact CB-CB 4.43Å; L620-L629 HydrophobicContact CD2-CB 4.32Å; L620-L629 HydrophobicContact CD2-CD1 4.03Å; L620-L629 HydrophobicContact CG-CB 4.43Å; L620-L629 HydrophobicContact CG-CD1 4.2Å; L620-L629 PolarHBondContact O-N 2.67Å; L620-R630 HydrophobicContact CB-CB 4.25Å; L620-R630 PolarHBondContact N-O 3.21Å; L620-F632 HydrophobicContact CB-CE2 3.86Å; L620-F632 HydrophobicContact CB-CZ 4.14Å; L620-K665 HydrophobicContact CD2-CB 4.33Å
621	W	96.7	Very high	93.7	Very high	1 Å²	1	33 Å²	33	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	147.8	177.9	-44.3	91.2	0	0	0	109.1	F591 K592 E608 I609 S611 K619 C628	F591-W621 HydrophobicContact CB-CD2 3.73Å; F591-W621 HydrophobicContact CB-CE3 3.6Å; F591-W621 HydrophobicContact CB-CG 4.31Å; F591-W621 HydrophobicContact CB-CH2 4.18Å; F591-W621 HydrophobicContact CB-CZ2 4.31Å; F591-W621 HydrophobicContact CB-CZ3 3.82Å; F591-W621 HydrophobicContact CD1-CB 4.02Å; F591-W621 HydrophobicContact CD1-CD2 4.21Å; F591-W621 AromaticContact CD1-CE3 3.9Å; F591-W621 HydrophobicContact CD1-CE3 3.9Å; F591-W621 HydrophobicContact CD1-CG 4.28Å; F591-W621 HydrophobicContact CE1-CB 4.19Å; F591-W621 HydrophobicContact CG-CB 4.3Å; F591-W621 HydrophobicContact CG-CD2 4.07Å; F591-W621 HydrophobicContact CG-CE3 4.04Å; F591-W621 HydrophobicContact CG-CG 4.18Å; K592-W621 WeakPolarHBondContact O-CH2 3.12Å; K592-W621 WeakPolarHBondContact O-CZ3 3.48Å; E608-W621 WeakPolarHBondContact CA-O 3.38Å; I609-W621 HydrophobicContact CB-CB 4.48Å; I609-W621 PolarHBondContact N-O 3.34Å; I609-W621 PolarHBondContact O-N 3.43Å; S611-W621 PolarHBondContact OG-NE1 2.88Å; K619-W621 HydrophobicContact CB-CH2 4.47Å; K619-W621 HydrophobicContact CB-CZ2 3.63Å; K619-W621 HydrophobicContact CD-CH2 3.83Å; K619-W621 HydrophobicContact CD-CZ2 3.57Å; K619-W621 HydrophobicContact CG-CZ2 4.21Å; W621-C628 HydrophobicContact CD2-CB 4.13Å; W621-C628 VanDerWaalsContact CE3-CA 3.43Å; W621-C628 HydrophobicContact CE3-CB 3.6Å; W621-C628 HydrophobicContact CH2-CB 3.96Å; W621-C628 HydrophobicContact CZ2-CB 4.42Å; W621-C628 HydrophobicContact CZ3-CB 3.53Å
622	N	94.6	Very high	93.6	Very high	30 Å²	30	33 Å²	33	16%	0.16	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	138	164.7	164.4	-114.4	0	0	0	109.2	F591 E607 G624 K625 L629	F591-N622 WeakPolarHBondContact CE1-O 3.31Å; E607-N622 CarbonylContact O-C 3.49Å; E607-N622 VanDerWaalsContact O-CA 3.27Å; E607-N622 WeakPolarHBondContact O-CA 3.46Å; E607-N622 PolarHBondContact O-ND2 3.26Å; E607-N622 PolarHBondContact OE2-ND2 2.86Å; N622-G624 PolarHBondContact O-N 2.79Å; N622-G624 VanDerWaalsContact O-N 3.15Å; N622-G624 PolarHBondContact OD1-N 3.36Å; N622-K625 HydrophobicContact CB-CB 4.37Å; N622-K625 HydrophobicContact CB-CD 4.45Å; N622-K625 PolarHBondContact O-N 2.91Å; N622-K625 VanDerWaalsContact O-O 3.09Å; N622-L629 HydrophobicContact CB-CD1 3.92Å; N622-L629 HydrophobicContact CB-CD2 4.17Å; N622-L629 HydrophobicContact CB-CG 4.19Å
623	V	92.8	Very high	93.4	Very high	20 Å²	20	39 Å²	39	12%	0.121	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.8	-178	168.6	0	0	0	0	112.3	Y578 E607 I609	Y578-V623 HydrophobicContact CD1-CG1 4.16Å; Y578-V623 HydrophobicContact CE1-CB 4.47Å; Y578-V623 HydrophobicContact CE1-CG1 3.37Å; Y578-V623 HydrophobicContact CE1-CG2 4.37Å; Y578-V623 HydrophobicContact CE2-CG2 4.49Å; E607-V623 PolarHBondContact O-N 3.42Å; I609-V623 HydrophobicContact CD1-CG2 4.18Å; I609-V623 HydrophobicContact CG1-CG2 4.45Å
624	G	89.6	Confident	93.1	Very high	60 Å²	60	41.2 Å²	41.2	62%	0.619	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	3.5	177.5	0	0	0	0	0	116.7	N622	N622-G624 PolarHBondContact O-N 2.79Å; N622-G624 VanDerWaalsContact O-N 3.15Å; N622-G624 PolarHBondContact OD1-N 3.36Å
625	K	88.2	Confident	93	Very high	84 Å²	84	40.6 Å²	40.6	37%	0.365	23%	0.229	S	C	.	.			trans	-133.5	127.6	-173.9	-70	178.4	177.8	-173.2	0	112.8	F591 N622 Y627 L629	F591-K625 WeakPolarHBondContact CE1-O 3.3Å; N622-K625 HydrophobicContact CB-CB 4.37Å; N622-K625 HydrophobicContact CB-CD 4.45Å; N622-K625 PolarHBondContact O-N 2.91Å; N622-K625 VanDerWaalsContact O-O 3.09Å; K625-Y627 VanDerWaalsContact C-N 3.28Å; K625-Y627 HydrophobicContact CB-CE1 4.49Å; K625-Y627 HydrophobicContact CB-CE2 4.49Å; K625-Y627 HydrophobicContact CD-CE2 4.05Å; K625-Y627 PolarHBondContact O-N 3.39Å; K625-L629 HydrophobicContact CD-CD2 4Å
626	P	82.6	Confident	93	Very high	81 Å²	81	44 Å²	44	53%	0.526	25%	0.246	S	C	.	.	S	Bend	trans	-74.1	-14.3	-175.5	29.3	-35.1	0	0	0	114.7	M589	M589-P626 HydrophobicContact CE-CB 3.8Å; M589-P626 HydrophobicContact CE-CG 4.46Å
627	Y	83.8	Confident	93	Very high	134 Å²	134	42.9 Å²	42.9	53%	0.525	24%	0.238	S	C	.	.	S	Bend	trans	-103.3	150.4	-179.7	53.3	-97.7	0	0	0	111.6	K625	K625-Y627 VanDerWaalsContact C-N 3.28Å; K625-Y627 HydrophobicContact CB-CE1 4.49Å; K625-Y627 HydrophobicContact CB-CE2 4.49Å; K625-Y627 HydrophobicContact CD-CE2 4.05Å; K625-Y627 PolarHBondContact O-N 3.39Å
628	C	92.4	Very high	92.9	Very high	40 Å²	40	47.1 Å²	47.1	27%	0.27	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	136.9	175.3	58.4	0	0	0	0	111	K619 L620 W621	K619-C628 HydrophobicContact CB-CB 4.33Å; K619-C628 HydrophobicContact CD-CB 4.44Å; L620-C628 CarbonylContact O-C 3.56Å; L620-C628 WeakPolarHBondContact O-CA 3.27Å; W621-C628 HydrophobicContact CD2-CB 4.13Å; W621-C628 VanDerWaalsContact CE3-CA 3.43Å; W621-C628 HydrophobicContact CE3-CB 3.6Å; W621-C628 HydrophobicContact CH2-CB 3.96Å; W621-C628 HydrophobicContact CZ2-CB 4.42Å; W621-C628 HydrophobicContact CZ3-CB 3.53Å
629	L	91.1	Very high	92.6	Very high	65 Å²	65	54.5 Å²	54.5	34%	0.34	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	-39.6	172.2	-60.9	-177.1	0	0	0	111.7	L620 N622 K625	L620-L629 HydrophobicContact CB-CB 4.43Å; L620-L629 HydrophobicContact CD2-CB 4.32Å; L620-L629 HydrophobicContact CD2-CD1 4.03Å; L620-L629 HydrophobicContact CG-CB 4.43Å; L620-L629 HydrophobicContact CG-CD1 4.2Å; L620-L629 PolarHBondContact O-N 2.67Å; N622-L629 HydrophobicContact CB-CD1 3.92Å; N622-L629 HydrophobicContact CB-CD2 4.17Å; N622-L629 HydrophobicContact CB-CG 4.19Å; K625-L629 HydrophobicContact CD-CD2 4Å
630	R	92.1	Very high	92.4	Very high	58 Å²	58	55.8 Å²	55.8	22%	0.219	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	152.1	-174	-171.2	164.6	-75.1	104.3	3.8	110.5	K619 L620 F632 K665 G666	K619-R630 WeakPolarHBondContact CA-O 3.36Å; L620-R630 HydrophobicContact CB-CB 4.25Å; L620-R630 PolarHBondContact N-O 3.21Å; R630-F632 HydrophobicContact CB-CZ 4.4Å; R630-F632 HydrophobicContact CG-CD1 4.47Å; R630-F632 HydrophobicContact CG-CE1 4.15Å; R630-F632 HydrophobicContact CG-CZ 4.21Å; R630-K665 WeakPolarHBondContact CD-O 3.44Å; R630-K665 PolarHBondContact NH1-O 2.88Å; R630-G666 PolarHBondContact NE-O 3.43Å; R630-G666 PolarHBondContact NH2-O 3.07Å
631	S	95.1	Very high	92.3	Very high	31 Å²	31	58.3 Å²	58.3	22%	0.217	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	119.9	170.8	-62.1	0	0	0	0	109.2	L618 K619	L618-S631 CarbonylContact O-C 3.57Å; L618-S631 WeakPolarHBondContact O-CA 3.43Å; K619-S631 PolarHBondContact NZ-OG 3.01Å
632	F	95.9	Very high	92.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	141.1	-179.6	-44.4	-97	0	0	0	110	Q617 L618 L620 R630 I651 Y663 L667 S668	Q617-F632 WeakPolarHBondContact CA-O 3.41Å; L618-F632 HydrophobicContact CB-CB 4.11Å; L618-F632 HydrophobicContact CB-CD2 3.77Å; L618-F632 HydrophobicContact CB-CG 4.36Å; L618-F632 PolarHBondContact N-O 2.64Å; L618-F632 VanDerWaalsContact N-O 3.15Å; L618-F632 PolarHBondContact O-N 2.85Å; L620-F632 HydrophobicContact CB-CE2 3.86Å; L620-F632 HydrophobicContact CB-CZ 4.14Å; R630-F632 HydrophobicContact CB-CZ 4.4Å; R630-F632 HydrophobicContact CG-CD1 4.47Å; R630-F632 HydrophobicContact CG-CE1 4.15Å; R630-F632 HydrophobicContact CG-CZ 4.21Å; F632-I651 HydrophobicContact CE1-CD1 4.35Å; F632-I651 HydrophobicContact CE2-CD1 3.92Å; F632-I651 HydrophobicContact CZ-CD1 3.69Å; F632-Y663 HydrophobicContact CB-CD1 3.8Å; F632-Y663 HydrophobicContact CB-CE1 3.75Å; F632-Y663 HydrophobicContact CB-CE2 4.49Å; F632-Y663 HydrophobicContact CB-CG 4.18Å; F632-Y663 AromaticContact CD1-CD1 3.93Å; F632-Y663 HydrophobicContact CD1-CD1 3.93Å; F632-Y663 HydrophobicContact CD1-CG 4.13Å; F632-Y663 HydrophobicContact CG-CD1 4.25Å; F632-Y663 HydrophobicContact CG-CG 4.39Å; F632-L667 WeakPolarHBondContact CD1-O 3.37Å; F632-L667 WeakPolarHBondContact CE1-O 3.38Å; F632-S668 WeakPolarHBondContact CA-O 3.47Å
633	K	93.3	Very high	92.3	Very high	127 Å²	127	57 Å²	57	55%	0.552	30%	0.302	S	S	*	.			trans	-136.3	160.9	-174.7	-65.4	-178.6	-179.1	177.9	0	111.1	Q617 Y663 S668	Q617-K633 HydrophobicContact CG-CG 4.29Å; K633-Y663 WeakPolarHBondContact O-CE1 3.1Å; K633-Y663 PolarHBondContact O-OH 3.03Å; K633-S668 PolarHBondContact N-O 3.26Å
634	G	91.1	Very high	92.5	Very high	46 Å²	46	56.2 Å²	56.2	47%	0.474	30%	0.297	S	S	.	.	S	Bend	trans	120.8	-22.9	171	0	0	0	0	0	115.2	Y661	G634-Y661 VanDerWaalsContact O-CE1 3.29Å; G634-Y661 WeakPolarHBondContact O-CE1 3.23Å; G634-Y661 PolarHBondContact O-OH 2.78Å
635	H	94.4	Very high	92.8	Very high	6 Å²	6	53.6 Å²	53.6	3%	0.028	27%	0.27	C	S	.	.	S	Bend	trans	-74.6	160.1	158.5	66	-82.9	0	0	0	110	Y661 Y663	H635-Y661 HydrophobicContact CB-CD1 4.36Å; H635-Y661 HydrophobicContact CB-CD2 3.71Å; H635-Y661 HydrophobicContact CB-CE2 4.09Å; H635-Y661 HydrophobicContact CB-CG 3.84Å; H635-Y663 PolarHBondContact N-OH 3.04Å; H635-Y663 AromaticContact ND1-CE2 3.87Å; H635-Y663 AromaticContact ND1-CZ 3.79Å; H635-Y663 PolarHBondContact ND1-OH 3.26Å
636	I	95.4	Very high	93.1	Very high	77 Å²	77	50.8 Å²	50.8	40%	0.395	26%	0.261	S	S	.	.			trans	-110.6	119.9	174.6	-57.4	171.7	0	0	0	107	E638 S655 E656 N657	I636-E638 HydrophobicContact CG2-CG 4.36Å; I636-S655 PolarHBondContact N-OG 2.96Å; I636-S655 CarbonylContact O-C 3.53Å; I636-S655 VanDerWaalsContact O-CA 3.31Å; I636-S655 WeakPolarHBondContact O-CA 3.48Å; I636-S655 PolarHBondContact O-OG 2.87Å; I636-E656 HydrophobicContact CG2-CB 4.24Å; I636-E656 PolarHBondContact O-N 3.23Å; I636-N657 HydrophobicContact CD1-CB 4.33Å
637	N	95.3	Very high	93.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.244	C	C	.	.			trans	-149.9	94.8	174.4	-179.3	42.8	0	0	0	109.5	S613 T614 S616 N640 V642	S613-N637 PolarHBondContact O-ND2 3.13Å; T614-N637 CarbonylContact C-O 3.54Å; T614-N637 WeakPolarHBondContact CA-O 3.49Å; S616-N637 PolarHBondContact N-O 2.81Å; S616-N637 PolarHBondContact OG-N 3Å; S616-N637 PolarHBondContact OG-O 2.81Å; N637-N640 PolarHBondContact OD1-O 2.99Å; N637-V642 HydrophobicContact CB-CG1 4.45Å; N637-V642 HydrophobicContact CB-CG2 4.11Å; N637-V642 WeakPolarHBondContact OD1-CG1 3.36Å
638	E	93.6	Very high	93.6	Very high	116 Å²	116	44.3 Å²	44.3	54%	0.542	24%	0.242	S	C	.	.	S	Bend	trans	-109.7	-21.7	-174.1	-62.6	-119.5	156	0	0	113.5	K596 T614 I636 E656	K596-E638 PolarHBondContact NZ-O 2.87Å; K596-E638 IonicContact NZ-OE2 3.32Å; T614-E638 CarbonylContact O-C 3.56Å; T614-E638 VanDerWaalsContact O-CA 3.27Å; T614-E638 WeakPolarHBondContact O-CA 3.46Å; I636-E638 HydrophobicContact CG2-CG 4.36Å; E638-E656 PolarHBondContact N-OE2 2.76Å
639	K	92.1	Very high	93.5	Very high	155 Å²	155	43.8 Å²	43.8	67%	0.674	24%	0.236	S	C	*	.	S	Bend	trans	-140	-40.2	-168.1	175.6	-176.6	173.4	-172.8	0	114.2	E656	K639-E656 WeakPolarHBondContact CB-OE1 3.3Å; K639-E656 PolarHBondContact N-OE1 3.27Å
640	N	94.1	Very high	93.6	Very high	38 Å²	38	41.3 Å²	41.3	20%	0.203	22%	0.222	C	C	.	.	S	Bend	trans	-97	174	-164.2	-65.1	-71.1	0	0	0	114	N637 V642 E656 F695	N637-N640 PolarHBondContact OD1-O 2.99Å; N640-V642 HydrophobicContact CB-CG1 4.3Å; N640-E656 HydrophobicContact CB-CG 4.44Å; N640-E656 WeakPolarHBondContact CB-OE1 3.43Å; N640-E656 PolarHBondContact N-OE1 3.19Å; N640-E656 PolarHBondContact ND2-OE1 3.15Å; N640-F695 HydrophobicContact CB-CD1 4.42Å; N640-F695 HydrophobicContact CB-CD2 3.83Å; N640-F695 HydrophobicContact CB-CE1 4.39Å; N640-F695 HydrophobicContact CB-CE2 3.79Å; N640-F695 HydrophobicContact CB-CG 4.16Å; N640-F695 HydrophobicContact CB-CZ 4.08Å
641	F	94.1	Very high	93.8	Very high	56 Å²	56	38.6 Å²	38.6	25%	0.246	21%	0.212	C	C	.	.			trans	-95.9	104.5	165.9	-77.6	-102.6	0	0	0	107.7	W513 C555 Y600	W513-F641 HydrophobicContact CD2-CZ 4.26Å; W513-F641 HydrophobicContact CE3-CE1 4.43Å; W513-F641 HydrophobicContact CE3-CE2 4.29Å; W513-F641 HydrophobicContact CE3-CZ 4.08Å; W513-F641 HydrophobicContact CH2-CD2 4.5Å; W513-F641 AromaticContact CH2-CE2 3.87Å; W513-F641 HydrophobicContact CH2-CE2 3.87Å; W513-F641 HydrophobicContact CH2-CZ 4.33Å; W513-F641 HydrophobicContact CZ2-CE2 4.34Å; W513-F641 HydrophobicContact CZ3-CD2 4.23Å; W513-F641 AromaticContact CZ3-CE2 3.85Å; W513-F641 HydrophobicContact CZ3-CE2 3.85Å; W513-F641 HydrophobicContact CZ3-CZ 4.12Å; C555-F641 HydrophobicContact CB-CE1 4.1Å; C555-F641 HydrophobicContact CB-CZ 4.14Å; Y600-F641 HydrophobicContact CD2-CD1 4.5Å; Y600-F641 HydrophobicContact CE2-CB 4.02Å; Y600-F641 AromaticContact CE2-CD1 3.84Å; Y600-F641 HydrophobicContact CE2-CD1 3.84Å; Y600-F641 HydrophobicContact CE2-CG 4.4Å
642	V	95.3	Very high	93.9	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	20%	0.202	C	C	.	.			trans	-98.3	4.2	-171.1	-62	0	0	0	0	115.3	N637 N640 G654 E656 F695 V696 S697	N637-V642 HydrophobicContact CB-CG1 4.45Å; N637-V642 HydrophobicContact CB-CG2 4.11Å; N637-V642 WeakPolarHBondContact OD1-CG1 3.36Å; N640-V642 HydrophobicContact CB-CG1 4.3Å; V642-G654 WeakPolarHBondContact O-CA 3.42Å; V642-G654 PolarHBondContact O-N 2.82Å; V642-E656 HydrophobicContact CG1-CG 4.11Å; V642-F695 HydrophobicContact CG1-CD2 4.37Å; V642-V696 CarbonylContact C-O 3.54Å; V642-V696 WeakPolarHBondContact CA-O 3.37Å; V642-V696 VanDerWaalsContact CB-O 3.27Å; V642-V696 WeakPolarHBondContact CB-O 3.24Å; V642-S697 CarbonylContact C-O 3.45Å
643	G	95.6	Very high	94	Very high	2 Å²	2	37.2 Å²	37.2	2%	0.021	20%	0.202	C	C	.	.			trans	74.7	149.5	-172.9	0	0	0	0	0	113.9	Y600 C653 G654 S697	Y600-G643 VanDerWaalsContact CE2-N 3.26Å; G643-C653 WeakPolarHBondContact O-CA 3.37Å; G643-C653 WeakPolarHBondContact O-CB 3.26Å; G643-G654 PolarHBondContact O-N 2.87Å; G643-S697 PolarHBondContact N-O 2.92Å
644	L	97.9	Very high	94.1	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	130.4	173	176.7	69.1	0	0	0	108.7	Y600 K602 V610 A612 L618 I651 A652 C653	Y600-L644 HydrophobicContact CD2-CB 4.31Å; Y600-L644 HydrophobicContact CG-CB 3.95Å; K602-L644 WeakPolarHBondContact CE-O 3.16Å; K602-L644 HydrophobicContact CG-CD2 4.39Å; K602-L644 HydrophobicContact CG-CG 4.4Å; V610-L644 HydrophobicContact CG1-CD2 4.17Å; V610-L644 HydrophobicContact CG2-CD1 4.28Å; V610-L644 HydrophobicContact CG2-CD2 4.39Å; A612-L644 HydrophobicContact CB-CB 4.31Å; A612-L644 HydrophobicContact CB-CD1 4.5Å; A612-L644 HydrophobicContact CB-CD2 4.01Å; L618-L644 HydrophobicContact CD1-CD1 3.93Å; L618-L644 HydrophobicContact CD2-CD1 4.06Å; L644-I651 HydrophobicContact CD1-CG2 3.86Å; L644-A652 WeakPolarHBondContact CA-O 3.34Å; L644-C653 HydrophobicContact CD1-CB 4.23Å
645	A	96	Very high	94.4	Very high	5 Å²	5	29 Å²	29	4%	0.041	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	142.7	173.3	0	0	0	0	0	111.9	A652 V699 W701	A645-A652 PolarHBondContact N-O 3.41Å; A645-A652 PolarHBondContact O-N 2.93Å; A645-V699 HydrophobicContact CB-CG2 3.94Å; A645-W701 PolarHBondContact O-NE1 3.12Å
646	S	93.4	Very high	94.4	Very high	26 Å²	26	30.7 Å²	30.7	18%	0.182	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139.4	-179.8	37.6	0	0	0	0	110.8	F603 Y650	F603-S646 PolarHBondContact O-OG 3.47Å; S646-Y650 WeakPolarHBondContact CA-O 3.4Å
647	N	90.8	Very high	94.3	Very high	34 Å²	34	29.7 Å²	29.7	18%	0.182	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	114.5	174	178.9	23.1	0	0	0	109	D649 Y650 W701 S709	N647-D649 PolarHBondContact O-N 2.88Å; N647-D649 VanDerWaalsContact O-N 3.15Å; N647-Y650 PolarHBondContact N-O 3.44Å; N647-Y650 PolarHBondContact O-N 3.03Å; N647-W701 HydrophobicContact CB-CB 3.78Å; N647-W701 HydrophobicContact CB-CD2 3.48Å; N647-W701 VanDerWaalsContact CB-CD2 3.48Å; N647-W701 HydrophobicContact CB-CE3 3.93Å; N647-W701 HydrophobicContact CB-CG 3.43Å; N647-W701 VanDerWaalsContact CB-CG 3.43Å; N647-W701 HydrophobicContact CB-CZ2 4.5Å; N647-S709 PolarHBondContact ND2-O 3.18Å
648	G	87	Confident	94.3	Very high	45 Å²	45	30 Å²	30	46%	0.464	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	-119.2	-170.6	0	0	0	0	0	111.2	V604	V604-G648 WeakPolarHBondContact CG1-O 3.4Å
649	D	90.3	Very high	94.4	Very high	28 Å²	28	24.7 Å²	24.7	15%	0.15	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	3.5	-179	-60.6	-41.3	0	0	0	115	K394 N647 Y664 K665	K394-D649 WeakPolarHBondContact CD-OD2 3.32Å; K394-D649 WeakPolarHBondContact CE-OD2 3.17Å; K394-D649 IonicContact NZ-OD2 3.51Å; K394-D649 PolarHBondContact NZ-OD2 3.03Å; N647-D649 PolarHBondContact O-N 2.88Å; N647-D649 VanDerWaalsContact O-N 3.15Å; D649-Y664 HydrophobicContact CB-CD2 3.84Å; D649-Y664 HydrophobicContact CB-CE2 3.58Å; D649-K665 HydrophobicContact CB-CD 4.26Å; D649-K665 HydrophobicContact CB-CG 4.22Å; D649-K665 PolarHBondContact O-N 3.27Å; D649-K665 WeakPolarHBondContact OD1-CD 3.23Å; D649-K665 WeakPolarHBondContact OD1-CE 3.29Å; D649-K665 IonicContact OD1-NZ 3.17Å; D649-K665 PolarHBondContact OD1-NZ 2.82Å
650	Y	93.4	Very high	94.6	Very high	14 Å²	14	17.8 Å²	17.8	6%	0.055	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	140.2	-178.4	-58.3	-79.6	0	0	0	112.1	K394 R397 Y398 S646 N647 Y663 Y664 L671 W701	K394-Y650 WeakPolarHBondContact CA-OH 3.42Å; K394-Y650 PolarHBondContact O-OH 2.61Å; R397-Y650 WeakPolarHBondContact CD-OH 2.9Å; Y398-Y650 HydrophobicContact CD2-CD1 4.44Å; Y398-Y650 AromaticContact CD2-CE1 3.96Å; Y398-Y650 HydrophobicContact CD2-CE1 3.96Å; Y398-Y650 HydrophobicContact CD2-CE2 4.5Å; Y398-Y650 AromaticContact CD2-CZ 3.99Å; Y398-Y650 HydrophobicContact CE2-CD1 4.33Å; Y398-Y650 HydrophobicContact CE2-CD2 4.09Å; Y398-Y650 AromaticContact CE2-CE1 3.92Å; Y398-Y650 HydrophobicContact CE2-CE1 3.92Å; Y398-Y650 AromaticContact CE2-CE2 3.66Å; Y398-Y650 HydrophobicContact CE2-CE2 3.66Å; Y398-Y650 HydrophobicContact CE2-CG 4.41Å; Y398-Y650 AromaticContact CE2-CZ 3.56Å; S646-Y650 WeakPolarHBondContact CA-O 3.4Å; N647-Y650 PolarHBondContact N-O 3.44Å; N647-Y650 PolarHBondContact O-N 3.03Å; Y650-Y663 WeakPolarHBondContact CA-O 3.27Å; Y650-Y664 HydrophobicContact CE1-CD2 4.21Å; Y650-L671 HydrophobicContact CD1-CD1 4.25Å; Y650-L671 HydrophobicContact CE1-CD1 3.97Å; Y650-W701 HydrophobicContact CG-CH2 4.49Å
651	I	96.1	Very high	94.8	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125.8	-176.9	-61.4	161.3	0	0	0	107.5	V610 L618 F632 L644 Y663 K665	V610-I651 HydrophobicContact CB-CD1 4.36Å; V610-I651 HydrophobicContact CG2-CD1 4.01Å; V610-I651 HydrophobicContact CG2-CG1 4.46Å; V610-I651 HydrophobicContact CG2-CG2 4Å; L618-I651 HydrophobicContact CD1-CG2 3.62Å; F632-I651 HydrophobicContact CE1-CD1 4.35Å; F632-I651 HydrophobicContact CE2-CD1 3.92Å; F632-I651 HydrophobicContact CZ-CD1 3.69Å; L644-I651 HydrophobicContact CD1-CG2 3.86Å; I651-Y663 PolarHBondContact N-O 2.77Å; I651-Y663 PolarHBondContact O-N 3.43Å; I651-K665 HydrophobicContact CD1-CB 3.96Å
652	A	96.9	Very high	94.8	Very high	2 Å²	2	14.8 Å²	14.8	2%	0.017	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.8	177.5	0	0	0	0	0	110.3	L644 A645 L660 Y661 L662 W701 L712	L644-A652 WeakPolarHBondContact CA-O 3.34Å; A645-A652 PolarHBondContact N-O 3.41Å; A645-A652 PolarHBondContact O-N 2.93Å; A652-L660 HydrophobicContact CB-CD1 4.37Å; A652-Y661 WeakPolarHBondContact CA-O 3.34Å; A652-L662 HydrophobicContact CB-CD1 4.31Å; A652-W701 HydrophobicContact CB-CZ2 4.11Å; A652-L712 HydrophobicContact CB-CD2 4.27Å
653	C	97.4	Very high	94.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	151.9	172.7	72	0	0	0	0	111.2	L618 G643 L644 Y661	L618-C653 HydrophobicContact CD1-CB 4.1Å; L618-C653 HydrophobicContact CD2-CB 4.22Å; G643-C653 WeakPolarHBondContact O-CA 3.37Å; G643-C653 WeakPolarHBondContact O-CB 3.26Å; L644-C653 HydrophobicContact CD1-CB 4.23Å; C653-Y661 PolarHBondContact N-O 3.47Å; C653-Y661 PolarHBondContact O-N 3.48Å
654	G	97	Very high	94.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.092	C	C	.	.			trans	-73.3	-176.3	168.7	0	0	0	0	0	113.1	V642 G643 S659 V696	V642-G654 WeakPolarHBondContact O-CA 3.42Å; V642-G654 PolarHBondContact O-N 2.82Å; G643-G654 PolarHBondContact O-N 2.87Å; G654-S659 CarbonylContact C-O 3.54Å; G654-V696 VanDerWaalsContact CA-CG1 3.5Å
655	S	96.7	Very high	94.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.099	C	C	.	.			trans	-159.8	152.5	-178.9	-177.6	0	0	0	0	110.5	I636 N657 N658 S659 Y661 F695 V696	I636-S655 PolarHBondContact N-OG 2.96Å; I636-S655 CarbonylContact O-C 3.53Å; I636-S655 VanDerWaalsContact O-CA 3.31Å; I636-S655 WeakPolarHBondContact O-CA 3.48Å; I636-S655 PolarHBondContact O-OG 2.87Å; S655-N657 WeakPolarHBondContact CB-OD1 3.47Å; S655-N657 PolarHBondContact O-N 3.39Å; S655-N657 PolarHBondContact OG-OD1 3.04Å; S655-N658 PolarHBondContact O-N 3.48Å; S655-S659 WeakPolarHBondContact CB-O 3.42Å; S655-S659 PolarHBondContact N-O 2.82Å; S655-Y661 VanDerWaalsContact CB-CE2 3.43Å; S655-Y661 WeakPolarHBondContact OG-CE2 3.38Å; S655-F695 WeakPolarHBondContact O-CA 3.46Å; S655-V696 PolarHBondContact O-N 2.82Å
656	E	95	Very high	93.9	Very high	42 Å²	42	17.5 Å²	17.5	20%	0.196	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	9.6	-177.5	-62.7	176.1	148.8	0	0	114	I636 E638 K639 N640 V642 F695	I636-E656 HydrophobicContact CG2-CB 4.24Å; I636-E656 PolarHBondContact O-N 3.23Å; E638-E656 PolarHBondContact N-OE2 2.76Å; K639-E656 WeakPolarHBondContact CB-OE1 3.3Å; K639-E656 PolarHBondContact N-OE1 3.27Å; N640-E656 HydrophobicContact CB-CG 4.44Å; N640-E656 WeakPolarHBondContact CB-OE1 3.43Å; N640-E656 PolarHBondContact N-OE1 3.19Å; N640-E656 PolarHBondContact ND2-OE1 3.15Å; V642-E656 HydrophobicContact CG1-CG 4.11Å; E656-F695 HydrophobicContact CB-CB 4.4Å; E656-F695 HydrophobicContact CG-CB 4.17Å
657	N	93.1	Very high	93.7	Very high	57 Å²	57	16.4 Å²	16.4	31%	0.305	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	37.9	168.2	63	-9.3	0	0	0	111.5	I636 S655 S659 Y661	I636-N657 HydrophobicContact CD1-CB 4.33Å; S655-N657 WeakPolarHBondContact CB-OD1 3.47Å; S655-N657 PolarHBondContact O-N 3.39Å; S655-N657 PolarHBondContact OG-OD1 3.04Å; N657-S659 PolarHBondContact O-N 3.38Å; N657-S659 VanDerWaalsContact O-N 3.1Å; N657-S659 PolarHBondContact O-OG 3.4Å; N657-S659 WeakPolarHBondContact OD1-CB 3.38Å; N657-Y661 PolarHBondContact ND2-OH 3.32Å
658	N	94.6	Very high	93.6	Very high	5 Å²	5	16.6 Å²	16.6	3%	0.027	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.7	42	-176.1	-159.8	23.9	0	0	0	113.7	S655 F676 T678 E694 N716	S655-N658 PolarHBondContact O-N 3.48Å; N658-F676 PolarHBondContact ND2-O 2.81Å; N658-F676 WeakPolarHBondContact O-CB 3.02Å; N658-F676 PolarHBondContact O-N 2.66Å; N658-T678 PolarHBondContact ND2-OG1 3.31Å; N658-T678 VanDerWaalsContact ND2-OG1 3.16Å; N658-E694 HydrophobicContact CB-CB 4.12Å; N658-E694 PolarHBondContact N-O 3.5Å; N658-N716 WeakPolarHBondContact OD1-CB 3.25Å; N658-N716 PolarHBondContact OD1-ND2 2.73Å
659	S	95.4	Very high	93.6	Very high	6 Å²	6	17.5 Å²	17.5	4%	0.042	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	145.3	-174.4	-56.2	0	0	0	0	112.9	G654 S655 N657 F674	G654-S659 CarbonylContact C-O 3.54Å; S655-S659 WeakPolarHBondContact CB-O 3.42Å; S655-S659 PolarHBondContact N-O 2.82Å; N657-S659 PolarHBondContact O-N 3.38Å; N657-S659 VanDerWaalsContact O-N 3.1Å; N657-S659 PolarHBondContact O-OG 3.4Å; N657-S659 WeakPolarHBondContact OD1-CB 3.38Å; S659-F674 CarbonylContact C-O 3.55Å; S659-F674 VanDerWaalsContact CA-O 3.27Å; S659-F674 WeakPolarHBondContact CA-O 3.13Å; S659-F674 WeakPolarHBondContact CB-O 3.47Å
660	L	96.8	Very high	93.6	Very high	10 Å²	10	18.1 Å²	18.1	5%	0.052	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	135.1	170.7	175.4	76.6	0	0	0	109.2	A652 T673 F674 F676 V699 L712 A714 L724	A652-L660 HydrophobicContact CB-CD1 4.37Å; L660-T673 CarbonylContact O-C 3.56Å; L660-T673 VanDerWaalsContact O-CA 3.29Å; L660-T673 WeakPolarHBondContact O-CA 3.5Å; L660-T673 WeakPolarHBondContact O-CG2 3.39Å; L660-F674 HydrophobicContact CB-CB 4.29Å; L660-F674 PolarHBondContact N-O 3.16Å; L660-F674 PolarHBondContact O-N 2.8Å; L660-F676 HydrophobicContact CB-CE2 4.44Å; L660-V699 HydrophobicContact CD1-CB 4.3Å; L660-V699 HydrophobicContact CD1-CG1 3.47Å; L660-V699 VanDerWaalsContact CD1-CG1 3.47Å; L660-L712 HydrophobicContact CD2-CD1 3.54Å; L660-L712 HydrophobicContact CD2-CD2 4.34Å; L660-A714 HydrophobicContact CD1-CB 4.22Å; L660-A714 HydrophobicContact CD2-CB 4.2Å; L660-L724 HydrophobicContact CD2-CD1 3.67Å
661	Y	96.9	Very high	93.4	Very high	22 Å²	22	18 Å²	18	9%	0.086	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.8	176.2	-75.8	-101.9	0	0	0	111.2	G634 H635 A652 C653 S655 N657 T670 T673	G634-Y661 VanDerWaalsContact O-CE1 3.29Å; G634-Y661 WeakPolarHBondContact O-CE1 3.23Å; G634-Y661 PolarHBondContact O-OH 2.78Å; H635-Y661 HydrophobicContact CB-CD1 4.36Å; H635-Y661 HydrophobicContact CB-CD2 3.71Å; H635-Y661 HydrophobicContact CB-CE2 4.09Å; H635-Y661 HydrophobicContact CB-CG 3.84Å; A652-Y661 WeakPolarHBondContact CA-O 3.34Å; C653-Y661 PolarHBondContact N-O 3.47Å; C653-Y661 PolarHBondContact O-N 3.48Å; S655-Y661 VanDerWaalsContact CB-CE2 3.43Å; S655-Y661 WeakPolarHBondContact OG-CE2 3.38Å; N657-Y661 PolarHBondContact ND2-OH 3.32Å; Y661-T670 HydrophobicContact CD1-CG2 3.53Å; Y661-T670 HydrophobicContact CE1-CG2 3.94Å; Y661-T673 HydrophobicContact CD1-CG2 4.19Å; Y661-T673 VanDerWaalsContact CD1-OG1 3.27Å; Y661-T673 WeakPolarHBondContact CD1-OG1 3.24Å; Y661-T673 HydrophobicContact CD2-CG2 4.21Å; Y661-T673 HydrophobicContact CE1-CG2 3.97Å; Y661-T673 VanDerWaalsContact CE1-OG1 3.28Å; Y661-T673 WeakPolarHBondContact CE1-OG1 3.48Å; Y661-T673 HydrophobicContact CE2-CG2 3.95Å; Y661-T673 HydrophobicContact CG-CG2 4.35Å
662	L	95.8	Very high	93.1	Very high	8 Å²	8	19.1 Å²	19.1	4%	0.042	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	136.6	174.7	-172.2	72.4	0	0	0	110.4	A652 L671 L672 W701 L726	A652-L662 HydrophobicContact CB-CD1 4.31Å; L662-L671 WeakPolarHBondContact O-CB 3.31Å; L662-L671 PolarHBondContact O-N 3.49Å; L662-L672 HydrophobicContact CB-CB 4.16Å; L662-L672 HydrophobicContact CD2-CB 4.33Å; L662-L672 HydrophobicContact CD2-CD1 4.04Å; L662-L672 HydrophobicContact CD2-CG 4.45Å; L662-L672 PolarHBondContact N-O 3.12Å; L662-L672 PolarHBondContact O-N 2.67Å; L662-W701 HydrophobicContact CD1-CH2 3.76Å; L662-W701 HydrophobicContact CD1-CZ2 3.64Å; L662-L726 HydrophobicContact CD1-CD1 4.24Å; L662-L726 HydrophobicContact CD2-CD1 3.66Å; L662-L726 HydrophobicContact CD2-CD2 4.17Å
663	Y	94.9	Very high	93	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	151.3	174.1	-63.2	-86.7	0	0	0	110.2	L618 F632 K633 H635 Y650 I651 T670	L618-Y663 HydrophobicContact CD1-CD2 4.02Å; L618-Y663 HydrophobicContact CD1-CE2 4.1Å; F632-Y663 HydrophobicContact CB-CD1 3.8Å; F632-Y663 HydrophobicContact CB-CE1 3.75Å; F632-Y663 HydrophobicContact CB-CE2 4.49Å; F632-Y663 HydrophobicContact CB-CG 4.18Å; F632-Y663 AromaticContact CD1-CD1 3.93Å; F632-Y663 HydrophobicContact CD1-CD1 3.93Å; F632-Y663 HydrophobicContact CD1-CG 4.13Å; F632-Y663 HydrophobicContact CG-CD1 4.25Å; F632-Y663 HydrophobicContact CG-CG 4.39Å; K633-Y663 WeakPolarHBondContact O-CE1 3.1Å; K633-Y663 PolarHBondContact O-OH 3.03Å; H635-Y663 PolarHBondContact N-OH 3.04Å; H635-Y663 AromaticContact ND1-CE2 3.87Å; H635-Y663 AromaticContact ND1-CZ 3.79Å; H635-Y663 PolarHBondContact ND1-OH 3.26Å; Y650-Y663 WeakPolarHBondContact CA-O 3.27Å; I651-Y663 PolarHBondContact N-O 2.77Å; I651-Y663 PolarHBondContact O-N 3.43Å; Y663-T670 HydrophobicContact CD1-CG2 4.44Å; Y663-T670 HydrophobicContact CE1-CG2 3.52Å; Y663-T670 WeakPolarHBondContact OH-CG2 3.42Å
664	Y	92.9	Very high	92.9	Very high	20 Å²	20	23.2 Å²	23.2	8%	0.078	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	132.2	164.2	161.7	-104.8	0	0	0	108.3	C391 K394 F395 D649 Y650 G666 L667	C391-Y664 WeakPolarHBondContact CA-OH 3.32Å; K394-Y664 HydrophobicContact CB-CD2 3.97Å; K394-Y664 HydrophobicContact CB-CE2 3.51Å; K394-Y664 HydrophobicContact CD-CE2 3.98Å; K394-Y664 HydrophobicContact CG-CE2 4.36Å; F395-Y664 HydrophobicContact CB-CD1 4.41Å; D649-Y664 HydrophobicContact CB-CD2 3.84Å; D649-Y664 HydrophobicContact CB-CE2 3.58Å; Y650-Y664 HydrophobicContact CE1-CD2 4.21Å; Y664-G666 VanDerWaalsContact CE1-CA 3.47Å; Y664-G666 PolarHBondContact O-N 2.84Å; Y664-L667 HydrophobicContact CD1-CB 4.47Å; Y664-L667 HydrophobicContact CD1-CD1 4.18Å; Y664-L667 HydrophobicContact CD1-CG 4.13Å; Y664-L667 PolarHBondContact O-N 2.66Å
665	K	91.3	Very high	92.8	Very high	39 Å²	39	30 Å²	30	17%	0.17	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.3	-167.1	81.2	178.7	-169.3	-161.5	0	114.6	V604 E608 L620 R630 D649 I651	V604-K665 HydrophobicContact CG1-CD 3.9Å; E608-K665 WeakPolarHBondContact OE1-CE 3.03Å; E608-K665 IonicContact OE1-NZ 2.76Å; E608-K665 WeakPolarHBondContact OE2-CE 3.34Å; E608-K665 IonicContact OE2-NZ 2.66Å; E608-K665 PolarHBondContact OE2-NZ 3.27Å; L620-K665 HydrophobicContact CD2-CB 4.33Å; R630-K665 WeakPolarHBondContact CD-O 3.44Å; R630-K665 PolarHBondContact NH1-O 2.88Å; D649-K665 HydrophobicContact CB-CD 4.26Å; D649-K665 HydrophobicContact CB-CG 4.22Å; D649-K665 PolarHBondContact O-N 3.27Å; D649-K665 WeakPolarHBondContact OD1-CD 3.23Å; D649-K665 WeakPolarHBondContact OD1-CE 3.29Å; D649-K665 IonicContact OD1-NZ 3.17Å; D649-K665 PolarHBondContact OD1-NZ 2.82Å; I651-K665 HydrophobicContact CD1-CB 3.96Å
666	G	87.2	Confident	92.6	Very high	10 Å²	10	30 Å²	30	10%	0.103	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-12.3	178.5	0	0	0	0	0	116.2	R630 Y664	R630-G666 PolarHBondContact NE-O 3.43Å; R630-G666 PolarHBondContact NH2-O 3.07Å; Y664-G666 VanDerWaalsContact CE1-CA 3.47Å; Y664-G666 PolarHBondContact O-N 2.84Å
667	L	87.9	Confident	92.1	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.016	17%	0.169	C	C	.	.			trans	-132.8	150.7	-174.4	-63.3	168.7	0	0	0	111.4	D362 L363 C366 F395 F632 Y664	D362-L667 HydrophobicContact CB-CD2 3.89Å; L363-L667 HydrophobicContact CD2-CD1 3.89Å; L363-L667 HydrophobicContact CD2-CD2 3.96Å; L363-L667 HydrophobicContact CG-CD1 4.42Å; L363-L667 HydrophobicContact CG-CD2 4.23Å; C366-L667 HydrophobicContact CB-CD2 4.06Å; F395-L667 HydrophobicContact CB-CD1 3.73Å; F395-L667 HydrophobicContact CD1-CD1 4.04Å; F395-L667 HydrophobicContact CD2-CD1 3.41Å; F395-L667 VanDerWaalsContact CD2-CD1 3.41Å; F395-L667 HydrophobicContact CE2-CD1 4.05Å; F395-L667 HydrophobicContact CG-CD1 3.42Å; F395-L667 VanDerWaalsContact CG-CD1 3.42Å; F632-L667 WeakPolarHBondContact CD1-O 3.37Å; F632-L667 WeakPolarHBondContact CE1-O 3.38Å; Y664-L667 HydrophobicContact CD1-CB 4.47Å; Y664-L667 HydrophobicContact CD1-CD1 4.18Å; Y664-L667 HydrophobicContact CD1-CG 4.13Å; Y664-L667 PolarHBondContact O-N 2.66Å
668	S	88.7	Confident	91.3	Very high	38 Å²	38	32.5 Å²	32.5	27%	0.266	17%	0.169	S	C	.	.	S	Bend	trans	-93.2	-30.5	-168.5	-49.7	0	0	0	0	113.1	D362 F632 K633	D362-S668 WeakPolarHBondContact OD2-CA 3.12Å; D362-S668 WeakPolarHBondContact OD2-CB 3.33Å; D362-S668 PolarHBondContact OD2-N 3.19Å; F632-S668 WeakPolarHBondContact CA-O 3.47Å; K633-S668 PolarHBondContact N-O 3.26Å
669	K	87.4	Confident	89.9	Confident	63 Å²	63	37.1 Å²	37.1	27%	0.274	20%	0.198	S	C	.	.	S	Bend	trans	-76.6	156.9	173.4	-71	172.1	-175.4	146.3	0	113	E361 D362	E361-K669 IonicContact OE2-NZ 2.7Å; E361-K669 PolarHBondContact OE2-NZ 3.45Å; D362-K669 WeakPolarHBondContact OD1-CD 3.33Å; D362-K669 WeakPolarHBondContact OD1-CE 3.2Å; D362-K669 IonicContact OD1-NZ 3.05Å; D362-K669 PolarHBondContact OD1-NZ 3.06Å; D362-K669 PolarHBondContact OD2-N 2.82Å
670	T	90.3	Very high	88.1	Confident	41 Å²	41	43.6 Å²	43.6	25%	0.252	23%	0.225	S	C	.	.			trans	-67.2	128.5	-177.5	51.5	0	0	0	0	113.2	H359 Y661 Y663	H359-T670 PolarHBondContact CE1-O 3.29Å; H359-T670 PolarHBondContact NE2-O 2.93Å; Y661-T670 HydrophobicContact CD1-CG2 3.53Å; Y661-T670 HydrophobicContact CE1-CG2 3.94Å; Y663-T670 HydrophobicContact CD1-CG2 4.44Å; Y663-T670 HydrophobicContact CE1-CG2 3.52Å; Y663-T670 WeakPolarHBondContact OH-CG2 3.42Å
671	L	89.3	Confident	86	Confident	11 Å²	11	45.8 Å²	45.8	6%	0.058	24%	0.241	C	C	.	.	S	Bend	trans	-79.1	-50.5	179.7	-155.6	169.9	0	0	0	111.6	F395 Y650 L662	F395-L671 HydrophobicContact CD2-CD1 4.24Å; F395-L671 HydrophobicContact CD2-CG 3.94Å; F395-L671 HydrophobicContact CE2-CG 4.04Å; Y650-L671 HydrophobicContact CD1-CD1 4.25Å; Y650-L671 HydrophobicContact CE1-CD1 3.97Å; L662-L671 WeakPolarHBondContact O-CB 3.31Å; L662-L671 PolarHBondContact O-N 3.49Å
672	L	90.5	Very high	83.7	Confident	25 Å²	25	50.4 Å²	50.4	13%	0.131	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	158.2	177.7	-65.4	170.3	0	0	0	109.9	N399 V401 L662	N399-L672 WeakPolarHBondContact O-CD2 3.43Å; V401-L672 HydrophobicContact CG1-CB 4.42Å; V401-L672 HydrophobicContact CG1-CD1 4.04Å; L662-L672 HydrophobicContact CB-CB 4.16Å; L662-L672 HydrophobicContact CD2-CB 4.33Å; L662-L672 HydrophobicContact CD2-CD1 4.04Å; L662-L672 HydrophobicContact CD2-CG 4.45Å; L662-L672 PolarHBondContact N-O 3.12Å; L662-L672 PolarHBondContact O-N 2.67Å
673	T	93.8	Very high	81.7	Confident	63 Å²	63	57.5 Å²	57.5	39%	0.387	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	132.3	170.3	-56.6	0	0	0	0	108.6	L660 Y661	L660-T673 CarbonylContact O-C 3.56Å; L660-T673 VanDerWaalsContact O-CA 3.29Å; L660-T673 WeakPolarHBondContact O-CA 3.5Å; L660-T673 WeakPolarHBondContact O-CG2 3.39Å; Y661-T673 HydrophobicContact CD1-CG2 4.19Å; Y661-T673 VanDerWaalsContact CD1-OG1 3.27Å; Y661-T673 WeakPolarHBondContact CD1-OG1 3.24Å; Y661-T673 HydrophobicContact CD2-CG2 4.21Å; Y661-T673 HydrophobicContact CE1-CG2 3.97Å; Y661-T673 VanDerWaalsContact CE1-OG1 3.28Å; Y661-T673 WeakPolarHBondContact CE1-OG1 3.48Å; Y661-T673 HydrophobicContact CE2-CG2 3.95Å; Y661-T673 HydrophobicContact CG-CG2 4.35Å
674	F	95.3	Very high	79.7	Confident	24 Å²	24	60.3 Å²	60.3	11%	0.105	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123	169.6	175.5	-100.9	0	0	0	108.7	V401 P403 S659 L660 F676 K722 L724	V401-F674 HydrophobicContact CB-CD2 4.43Å; V401-F674 HydrophobicContact CG2-CB 3.97Å; V401-F674 HydrophobicContact CG2-CD2 3.72Å; V401-F674 HydrophobicContact CG2-CG 4.3Å; P403-F674 HydrophobicContact CG-CE2 3.92Å; P403-F674 HydrophobicContact CG-CZ 4.2Å; S659-F674 CarbonylContact C-O 3.55Å; S659-F674 VanDerWaalsContact CA-O 3.27Å; S659-F674 WeakPolarHBondContact CA-O 3.13Å; S659-F674 WeakPolarHBondContact CB-O 3.47Å; L660-F674 HydrophobicContact CB-CB 4.29Å; L660-F674 PolarHBondContact N-O 3.16Å; L660-F674 PolarHBondContact O-N 2.8Å; F674-F676 AromaticContact CD1-CD2 3.85Å; F674-F676 HydrophobicContact CD1-CD2 3.85Å; F674-F676 AromaticContact CD1-CE2 3.79Å; F674-F676 HydrophobicContact CD1-CE2 3.79Å; F674-F676 AromaticContact CE1-CD2 3.74Å; F674-F676 HydrophobicContact CE1-CD2 3.74Å; F674-F676 AromaticContact CE1-CE2 3.82Å; F674-F676 HydrophobicContact CE1-CE2 3.82Å; F674-F676 HydrophobicContact CE1-CG 4.1Å; F674-F676 HydrophobicContact CE1-CZ 4.25Å; F674-K722 HydrophobicContact CE1-CD 3.78Å; F674-K722 HydrophobicContact CZ-CD 3.64Å; F674-L724 HydrophobicContact CB-CD1 4.45Å; F674-L724 HydrophobicContact CD1-CD1 3.61Å; F674-L724 HydrophobicContact CD1-CD2 4.19Å; F674-L724 HydrophobicContact CD2-CD2 4.32Å; F674-L724 HydrophobicContact CE1-CD1 4.04Å; F674-L724 HydrophobicContact CE1-CD2 3.96Å; F674-L724 HydrophobicContact CE2-CD2 4.09Å; F674-L724 HydrophobicContact CG-CD1 4Å; F674-L724 HydrophobicContact CG-CD2 4.37Å; F674-L724 HydrophobicContact CZ-CD2 3.91Å
675	K	94.3	Very high	77.6	Confident	142 Å²	142	67.5 Å²	67.5	62%	0.617	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	133.4	174.9	-176.9	173.4	179.9	-176.8	0	109.5
676	F	92.4	Very high	75.7	Confident	2 Å²	2	73.4 Å²	73.4	1%	0.009	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-78.4	144.3	172	-80.9	-111.3	0	0	0	111	N658 L660 F674 T678 V696 A714 N716 T720 K722	N658-F676 PolarHBondContact ND2-O 2.81Å; N658-F676 WeakPolarHBondContact O-CB 3.02Å; N658-F676 PolarHBondContact O-N 2.66Å; L660-F676 HydrophobicContact CB-CE2 4.44Å; F674-F676 AromaticContact CD1-CD2 3.85Å; F674-F676 HydrophobicContact CD1-CD2 3.85Å; F674-F676 AromaticContact CD1-CE2 3.79Å; F674-F676 HydrophobicContact CD1-CE2 3.79Å; F674-F676 AromaticContact CE1-CD2 3.74Å; F674-F676 HydrophobicContact CE1-CD2 3.74Å; F674-F676 AromaticContact CE1-CE2 3.82Å; F674-F676 HydrophobicContact CE1-CE2 3.82Å; F674-F676 HydrophobicContact CE1-CG 4.1Å; F674-F676 HydrophobicContact CE1-CZ 4.25Å; F676-T678 PolarHBondContact O-N 2.83Å; F676-V696 HydrophobicContact CD2-CG2 3.53Å; F676-V696 HydrophobicContact CE2-CG2 3.52Å; F676-V696 HydrophobicContact CG-CG2 4.41Å; F676-V696 HydrophobicContact CZ-CG2 4.38Å; F676-A714 HydrophobicContact CE2-CB 4.2Å; F676-A714 HydrophobicContact CZ-CB 3.82Å; F676-N716 HydrophobicContact CD1-CB 4.39Å; F676-T720 HydrophobicContact CD1-CG2 4.24Å; F676-K722 HydrophobicContact CD1-CD 4.23Å; F676-K722 HydrophobicContact CE1-CB 4.19Å; F676-K722 HydrophobicContact CE1-CD 4.16Å; F676-K722 HydrophobicContact CE1-CG 4.09Å; F676-K722 HydrophobicContact CZ-CB 4.43Å
677	D	86.1	Confident	74	Confident	98 Å²	98	81 Å²	81	52%	0.524	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-68.5	122.2	171.1	-44.9	-71.3	0	0	0	109.5	V679 K722	D677-V679 PolarHBondContact O-N 2.85Å; D677-K722 VanDerWaalsContact OD2-CE 3.22Å; D677-K722 WeakPolarHBondContact OD2-CE 3.37Å; D677-K722 IonicContact OD2-NZ 3.84Å; D677-K722 PolarHBondContact OD2-NZ 2.97Å
678	T	75.9	Confident	72.1	Confident	52 Å²	52	88.1 Å²	88.1	32%	0.319	45%	0.445	S	S	.	.			trans	-85.8	102.2	174	-55.6	0	0	0	0	109	N658 F676 K680	N658-T678 PolarHBondContact ND2-OG1 3.31Å; N658-T678 VanDerWaalsContact ND2-OG1 3.16Å; F676-T678 PolarHBondContact O-N 2.83Å; T678-K680 PolarHBondContact O-N 2.9Å
679	V	65.3	Low	70.1	Confident	103 Å²	103	92.7 Å²	92.7	62%	0.624	46%	0.462	S	S	*	.			trans	-75.5	112.2	179.9	-176.6	0	0	0	0	109.3	D677 S681	D677-V679 PolarHBondContact O-N 2.85Å; V679-S681 PolarHBondContact O-N 3.08Å
680	K	56.9	Low	68.1	Low	142 Å²	142	97 Å²	97	62%	0.617	49%	0.488	S	S	*	.			trans	-77.5	118.9	175.5	-63.1	-174.8	-176.7	-179.3	0	109.8	T678 E689	T678-K680 PolarHBondContact O-N 2.9Å; K680-E689 WeakPolarHBondContact CE-OE1 3.41Å; K680-E689 IonicContact NZ-OE1 3.86Å; K680-E689 PolarHBondContact NZ-OE1 2.88Å
681	S	53.8	Low	66.1	Low	56 Å²	56	99.8 Å²	99.8	39%	0.392	50%	0.502	S	S	.	.			trans	-59.4	143.5	169.7	-178.4	0	0	0	0	110.4	V679 L683 D684	V679-S681 PolarHBondContact O-N 3.08Å; S681-L683 PolarHBondContact O-N 3.3Å; S681-L683 VanDerWaalsContact O-N 3.1Å; S681-L683 PolarHBondContact OG-N 3.3Å; S681-D684 VanDerWaalsContact CB-OD2 3.24Å; S681-D684 WeakPolarHBondContact CB-OD2 3.41Å; S681-D684 PolarHBondContact O-N 3.18Å
682	V	48.9	Very low	64.6	Low	118 Å²	118	102.3 Å²	102.3	72%	0.715	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.4	176.5	-179.5	0	0	0	0	111.8
683	L	52.5	Low	64.1	Low	157 Å²	157	107 Å²	107	82%	0.822	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-15.6	176.3	-58.7	176	0	0	0	113.8	S681	S681-L683 PolarHBondContact O-N 3.3Å; S681-L683 VanDerWaalsContact O-N 3.1Å; S681-L683 PolarHBondContact OG-N 3.3Å
684	D	53.3	Low	63.9	Low	60 Å²	60	106 Å²	106	32%	0.321	53%	0.534	S	S	.	.			trans	-96.1	19.1	-175	-80.1	-62.2	0	0	0	113.6	S681 D686 R687	S681-D684 VanDerWaalsContact CB-OD2 3.24Å; S681-D684 WeakPolarHBondContact CB-OD2 3.41Å; S681-D684 PolarHBondContact O-N 3.18Å; D684-D686 PolarHBondContact O-N 3.02Å; D684-R687 PolarHBondContact O-N 3.16Å; D684-R687 VanDerWaalsContact O-N 3.08Å; D684-R687 WeakPolarHBondContact OD1-CD 3.35Å; D684-R687 IonicContact OD1-CZ 3.55Å; D684-R687 IonicContact OD1-NE 3.75Å; D684-R687 IonicContact OD1-NH1 2.63Å; D684-R687 PolarHBondContact OD1-NH1 3.31Å
685	K	49.2	Very low	63.9	Low	170 Å²	170	106 Å²	106	74%	0.739	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.3	-176.3	-77.2	-175.8	175.9	-176	0	115
686	D	51.7	Low	64	Low	164 Å²	164	99.2 Å²	99.2	88%	0.877	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-0.2	-178.3	-58.4	-44.8	0	0	0	113.7	D684	D684-D686 PolarHBondContact O-N 3.02Å
687	R	49.8	Very low	64.2	Low	168 Å²	168	99.2 Å²	99.2	63%	0.634	51%	0.505	S	S	*	.	S	Bend	trans	-84.9	136.4	173.6	-78.1	-170.9	165.3	136.4	-11.3	111.6	D684	D684-R687 PolarHBondContact O-N 3.16Å; D684-R687 VanDerWaalsContact O-N 3.08Å; D684-R687 WeakPolarHBondContact OD1-CD 3.35Å; D684-R687 IonicContact OD1-CZ 3.55Å; D684-R687 IonicContact OD1-NE 3.75Å; D684-R687 IonicContact OD1-NH1 2.63Å; D684-R687 PolarHBondContact OD1-NH1 3.31Å
688	K	47.8	Very low	64.7	Low	153 Å²	153	94.6 Å²	94.6	67%	0.665	48%	0.48	S	S	*	.			trans	-73.8	151.8	172.9	-65.9	-179.2	179.8	179.4	0	110.3	D690 D691	K688-D690 PolarHBondContact O-N 2.55Å; K688-D691 PolarHBondContact O-N 2.94Å
689	E	47	Very low	65.8	Low	134 Å²	134	92.6 Å²	92.6	63%	0.626	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-63.1	-32.2	-178.7	-61.9	-171.7	136.5	0	0	112.3	K680 D691 T692	K680-E689 WeakPolarHBondContact CE-OE1 3.41Å; K680-E689 IonicContact NZ-OE1 3.86Å; K680-E689 PolarHBondContact NZ-OE1 2.88Å; E689-D691 PolarHBondContact O-N 3.28Å; E689-T692 PolarHBondContact O-N 2.79Å; E689-T692 PolarHBondContact O-OG1 2.88Å
690	D	45.3	Very low	67.3	Low	153 Å²	153	88 Å²	88	82%	0.818	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-64.7	-19.1	177.4	-59.1	-51.8	0	0	0	114.5	K688	K688-D690 PolarHBondContact O-N 2.55Å
691	D	48.2	Very low	69.1	Low	100 Å²	100	81.8 Å²	81.8	54%	0.535	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-82.9	-13.3	179.4	-75.9	-55	0	0	0	113.1	K688 E689 N693	K688-D691 PolarHBondContact O-N 2.94Å; E689-D691 PolarHBondContact O-N 3.28Å; D691-N693 PolarHBondContact O-N 2.9Å; D691-N693 PolarHBondContact O-ND2 3.02Å
692	T	59.3	Low	71.1	Confident	64 Å²	64	80.6 Å²	80.6	39%	0.393	40%	0.4	S	S	.	.			trans	-78.4	85.3	-177.7	54.4	0	0	0	0	112.4	E689 E694	E689-T692 PolarHBondContact O-N 2.79Å; E689-T692 PolarHBondContact O-OG1 2.88Å; T692-E694 PolarHBondContact O-N 2.83Å
693	N	78.7	Confident	72.9	Confident	125 Å²	125	77.7 Å²	77.7	67%	0.668	39%	0.388	S	S	*	.			trans	-72.5	51.8	179.7	-77.1	-105.8	0	0	0	113.1	D691	D691-N693 PolarHBondContact O-N 2.9Å; D691-N693 PolarHBondContact O-ND2 3.02Å
694	E	89.9	Confident	74.3	Confident	42 Å²	42	73.3 Å²	73.3	20%	0.196	37%	0.365	C	S	.	.			trans	-92.5	133.7	-172.3	-55.8	-68.1	-172.9	0	0	112.7	N658 T692 S717 Q718	N658-E694 HydrophobicContact CB-CB 4.12Å; N658-E694 PolarHBondContact N-O 3.5Å; T692-E694 PolarHBondContact O-N 2.83Å; E694-S717 WeakPolarHBondContact CA-OG 3.35Å; E694-S717 WeakPolarHBondContact OE2-CB 3.25Å; E694-S717 PolarHBondContact OE2-OG 3.49Å; E694-Q718 VanDerWaalsContact CD-NE2 3.32Å; E694-Q718 HydrophobicContact CG-CG 4.15Å; E694-Q718 VanDerWaalsContact OE1-CG 3.31Å; E694-Q718 WeakPolarHBondContact OE1-CG 3.37Å; E694-Q718 PolarHBondContact OE1-NE2 3.4Å; E694-Q718 VanDerWaalsContact OE2-CG 3.24Å; E694-Q718 WeakPolarHBondContact OE2-CG 3.4Å
695	F	94.8	Very high	75.2	Confident	22 Å²	22	75.3 Å²	75.3	10%	0.096	38%	0.382	C	S	.	.			trans	-135.8	143.7	-175.1	62.8	-84.4	0	0	0	111.7	I419 N640 V642 S655 E656 S697 N716 S717	I419-F695 HydrophobicContact CD1-CZ 4.36Å; I419-F695 HydrophobicContact CG2-CZ 4.27Å; N640-F695 HydrophobicContact CB-CD1 4.42Å; N640-F695 HydrophobicContact CB-CD2 3.83Å; N640-F695 HydrophobicContact CB-CE1 4.39Å; N640-F695 HydrophobicContact CB-CE2 3.79Å; N640-F695 HydrophobicContact CB-CG 4.16Å; N640-F695 HydrophobicContact CB-CZ 4.08Å; V642-F695 HydrophobicContact CG1-CD2 4.37Å; S655-F695 WeakPolarHBondContact O-CA 3.46Å; E656-F695 HydrophobicContact CB-CB 4.4Å; E656-F695 HydrophobicContact CG-CB 4.17Å; F695-S697 PolarHBondContact O-N 3.05Å; F695-N716 CarbonylContact O-C 3.55Å; F695-N716 VanDerWaalsContact O-CA 3.28Å; F695-N716 WeakPolarHBondContact O-CA 3.33Å; F695-N716 WeakPolarHBondContact O-CB 3.29Å; F695-S717 PolarHBondContact N-OG 3.32Å; F695-S717 PolarHBondContact O-N 3.42Å; F695-S717 PolarHBondContact O-OG 3Å
696	V	96.9	Very high	76.1	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	127.1	164.7	172	0	0	0	0	107.3	V642 G654 S655 F676 V699 N716	V642-V696 CarbonylContact C-O 3.54Å; V642-V696 WeakPolarHBondContact CA-O 3.37Å; V642-V696 VanDerWaalsContact CB-O 3.27Å; V642-V696 WeakPolarHBondContact CB-O 3.24Å; G654-V696 VanDerWaalsContact CA-CG1 3.5Å; S655-V696 PolarHBondContact O-N 2.82Å; F676-V696 HydrophobicContact CD2-CG2 3.53Å; F676-V696 HydrophobicContact CE2-CG2 3.52Å; F676-V696 HydrophobicContact CG-CG2 4.41Å; F676-V696 HydrophobicContact CZ-CG2 4.38Å; V696-V699 HydrophobicContact CG1-CG1 3.81Å; V696-N716 HydrophobicContact CG2-CB 4.5Å
697	S	96.6	Very high	76.3	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.014	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	-27.3	-164.5	59.9	0	0	0	0	113.8	V420 V642 G643 F695 A715 N716	V420-S697 VanDerWaalsContact O-CB 3.24Å; V420-S697 WeakPolarHBondContact O-CB 3.37Å; V420-S697 PolarHBondContact O-OG 2.8Å; V642-S697 CarbonylContact C-O 3.45Å; G643-S697 PolarHBondContact N-O 2.92Å; F695-S697 PolarHBondContact O-N 3.05Å; S697-A715 PolarHBondContact N-O 3.36Å; S697-A715 PolarHBondContact OG-O 2.89Å; S697-N716 VanDerWaalsContact OG-C 3.32Å; S697-N716 PolarHBondContact OG-O 3.22Å
698	A	97.6	Very high	77	Confident	2 Å²	2	67.6 Å²	67.6	2%	0.017	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	143	176.5	0	0	0	0	0	111.4	V420 I423 A714 A715	V420-A698 HydrophobicContact CG1-CB 3.79Å; I423-A698 HydrophobicContact CD1-CB 4.06Å; I423-A698 HydrophobicContact CG1-CB 3.92Å; A698-A714 CarbonylContact O-C 3.58Å; A698-A714 WeakPolarHBondContact O-CA 3.41Å; A698-A715 PolarHBondContact N-O 3.11Å; A698-A715 PolarHBondContact O-N 3.15Å
699	V	97.6	Very high	78.3	Confident	9 Å²	9	60.7 Å²	60.7	6%	0.055	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	141.1	178.9	-53.6	0	0	0	0	109.6	A645 L660 V696 I713 A714	A645-V699 HydrophobicContact CB-CG2 3.94Å; L660-V699 HydrophobicContact CD1-CB 4.3Å; L660-V699 HydrophobicContact CD1-CG1 3.47Å; L660-V699 VanDerWaalsContact CD1-CG1 3.47Å; V696-V699 HydrophobicContact CG1-CG1 3.81Å; V699-I713 CarbonylContact C-O 3.48Å; V699-I713 WeakPolarHBondContact CA-O 3.27Å; V699-A714 HydrophobicContact CG1-CB 4.03Å
700	C	97.1	Very high	80.4	Confident	7 Å²	7	56.6 Å²	56.6	5%	0.047	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	145.2	176.1	-173.8	0	0	0	0	110.8	I423 E424 L712 I713	I423-C700 HydrophobicContact CB-CB 4.16Å; I423-C700 HydrophobicContact CG2-CB 4.12Å; I423-C700 VanDerWaalsContact O-CB 3.31Å; I423-C700 WeakPolarHBondContact O-CB 3.42Å; E424-C700 PolarHBondContact OE2-SG 2.6Å; C700-L712 CarbonylContact O-C 3.44Å; C700-L712 VanDerWaalsContact O-CA 3.29Å; C700-L712 WeakPolarHBondContact O-CA 3.49Å; C700-L712 VanDerWaalsContact O-CB 3.3Å; C700-L712 WeakPolarHBondContact O-CB 3.4Å; C700-I713 PolarHBondContact N-O 3.43Å; C700-I713 PolarHBondContact O-N 3.32Å
701	W	95.8	Very high	82.7	Confident	11 Å²	11	50 Å²	50	4%	0.042	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	142	174.1	-70.5	97.6	0	0	0	110.7	A645 N647 Y650 A652 L662 A703 L712 L726	A645-W701 PolarHBondContact O-NE1 3.12Å; N647-W701 HydrophobicContact CB-CB 3.78Å; N647-W701 HydrophobicContact CB-CD2 3.48Å; N647-W701 VanDerWaalsContact CB-CD2 3.48Å; N647-W701 HydrophobicContact CB-CE3 3.93Å; N647-W701 HydrophobicContact CB-CG 3.43Å; N647-W701 VanDerWaalsContact CB-CG 3.43Å; N647-W701 HydrophobicContact CB-CZ2 4.5Å; Y650-W701 HydrophobicContact CG-CH2 4.49Å; A652-W701 HydrophobicContact CB-CZ2 4.11Å; L662-W701 HydrophobicContact CD1-CH2 3.76Å; L662-W701 HydrophobicContact CD1-CZ2 3.64Å; W701-A703 VanDerWaalsContact C-N 3.28Å; W701-A703 PolarHBondContact O-N 3.01Å; W701-L712 HydrophobicContact CD2-CB 4.04Å; W701-L712 HydrophobicContact CD2-CD2 4.27Å; W701-L712 HydrophobicContact CE3-CB 3.89Å; W701-L712 HydrophobicContact CE3-CD2 4.1Å; W701-L712 HydrophobicContact CG-CB 4.4Å; W701-L712 HydrophobicContact CH2-CD2 3.99Å; W701-L712 HydrophobicContact CZ2-CD2 4.12Å; W701-L712 HydrophobicContact CZ3-CB 4.49Å; W701-L712 HydrophobicContact CZ3-CD2 3.97Å; W701-L726 HydrophobicContact CH2-CD1 3.56Å; W701-L726 HydrophobicContact CZ3-CD1 3.77Å
702	R	94.3	Very high	85	Confident	32 Å²	32	45.4 Å²	45.4	12%	0.121	26%	0.262	C	S	.	.			trans	-78.3	76.1	170.3	-169.8	179.4	-176	-136.4	2.6	109.6	F425 C429 Y446 L704 S709 V711	F425-R702 HydrophobicContact CD1-CG 4.06Å; F425-R702 HydrophobicContact CD2-CB 4.16Å; F425-R702 HydrophobicContact CD2-CG 4.43Å; F425-R702 HydrophobicContact CE1-CB 4.09Å; F425-R702 HydrophobicContact CE1-CG 3.62Å; F425-R702 HydrophobicContact CE2-CB 3.57Å; F425-R702 HydrophobicContact CE2-CG 4.03Å; F425-R702 HydrophobicContact CG-CG 4.44Å; F425-R702 HydrophobicContact CZ-CB 3.51Å; F425-R702 HydrophobicContact CZ-CG 3.6Å; C429-R702 HydrophobicContact CB-CG 3.67Å; C429-R702 VanDerWaalsContact O-CZ 3.26Å; C429-R702 PolarHBondContact O-NE 3.36Å; C429-R702 PolarHBondContact O-NH2 3.06Å; Y446-R702 VanDerWaalsContact CE1-CZ 3.41Å; R702-L704 PolarHBondContact O-N 2.75Å; R702-S709 WeakPolarHBondContact O-CB 3.29Å; R702-S709 PolarHBondContact O-OG 2.78Å; R702-V711 HydrophobicContact CB-CB 4.46Å; R702-V711 PolarHBondContact N-O 3.17Å
703	A	86.9	Confident	86.8	Confident	57 Å²	57	42.4 Å²	42.4	47%	0.471	24%	0.244	S	C	.	.			trans	-75.5	80.1	-170.6	0	0	0	0	0	113	W701	W701-A703 VanDerWaalsContact C-N 3.28Å; W701-A703 PolarHBondContact O-N 3.01Å
704	L	82.4	Confident	87.7	Confident	64 Å²	64	36.4 Å²	36.4	34%	0.335	21%	0.212	S	C	.	.			trans	-59.3	136.4	178.4	-66.5	174.2	0	0	0	112.5	C429 R702 D706 G707	C429-L704 HydrophobicContact CB-CD2 4.03Å; R702-L704 PolarHBondContact O-N 2.75Å; L704-D706 VanDerWaalsContact C-N 3.34Å; L704-D706 PolarHBondContact O-N 2.76Å; L704-G707 PolarHBondContact O-N 2.82Å
705	P	71.9	Confident	88	Confident	103 Å²	103	34.4 Å²	34.4	67%	0.669	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-36.5	-176.9	-27.6	35.5	0	0	0	115.5	G707	P705-G707 PolarHBondContact O-N 3Å
706	D	67.6	Low	88	Confident	170 Å²	170	33.4 Å²	33.4	91%	0.909	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-2.6	-175.2	-62.9	-41.8	0	0	0	114	L704	L704-D706 VanDerWaalsContact C-N 3.34Å; L704-D706 PolarHBondContact O-N 2.76Å
707	G	57.8	Low	87.8	Confident	47 Å²	47	33.9 Å²	33.9	49%	0.485	20%	0.201	S	C	.	.	S	Bend	trans	98.1	146.1	172	0	0	0	0	0	115.2	L704 P705	L704-G707 PolarHBondContact O-N 2.82Å; P705-G707 PolarHBondContact O-N 3Å
708	E	62.5	Low	87.5	Confident	122 Å²	122	35.7 Å²	35.7	57%	0.57	21%	0.21	S	C	*	.			trans	58.4	62.1	174.4	-55.9	-156.2	140.2	0	0	116.9	R397	R397-E708 IonicContact CZ-OE1 2.72Å; R397-E708 IonicContact CZ-OE2 2.71Å; R397-E708 IonicContact NH1-OE1 2.63Å; R397-E708 PolarHBondContact NH1-OE1 3.22Å; R397-E708 IonicContact NH1-OE2 2.64Å; R397-E708 PolarHBondContact NH1-OE2 2.95Å; R397-E708 IonicContact NH2-OE1 2.75Å; R397-E708 IonicContact NH2-OE2 3.91Å; R397-E708 PolarHBondContact NH2-OE2 3.04Å
709	S	76.6	Confident	87.2	Confident	8 Å²	8	35.6 Å²	35.6	6%	0.056	21%	0.209	C	C	.	.			trans	-72.3	129	157	177.9	0	0	0	0	111.9	N647 R702 V711	N647-S709 PolarHBondContact ND2-O 3.18Å; R702-S709 WeakPolarHBondContact O-CB 3.29Å; R702-S709 PolarHBondContact O-OG 2.78Å; S709-V711 VanDerWaalsContact C-N 3.31Å; S709-V711 PolarHBondContact OG-N 2.81Å
710	N	90	Very high	86.9	Confident	49 Å²	49	36.4 Å²	36.4	26%	0.262	21%	0.214	S	C	.	.			trans	-85.9	1.3	172.2	-60.9	-2.9	0	0	0	112.7	R397 Y398 L726	R397-N710 PolarHBondContact NH2-OD1 2.87Å; Y398-N710 HydrophobicContact CE1-CB 4.24Å; Y398-N710 PolarHBondContact OH-OD1 2.8Å; N710-L726 HydrophobicContact CB-CB 4.42Å; N710-L726 PolarHBondContact ND2-O 2.69Å; N710-L726 WeakPolarHBondContact O-CG 3.4Å; N710-L726 PolarHBondContact O-N 2.82Å
711	V	94.2	Very high	86.8	Confident	15 Å²	15	36 Å²	36	9%	0.091	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	139	-169.1	-178	0	0	0	0	112.5	L404 Y446 R702 S709 V723 L724 E725	L404-V711 HydrophobicContact CD1-CG2 4.37Å; Y446-V711 HydrophobicContact CE2-CG1 4.22Å; R702-V711 HydrophobicContact CB-CB 4.46Å; R702-V711 PolarHBondContact N-O 3.17Å; S709-V711 VanDerWaalsContact C-N 3.31Å; S709-V711 PolarHBondContact OG-N 2.81Å; V711-V723 HydrophobicContact CG1-CG1 3.74Å; V711-L724 WeakPolarHBondContact CA-O 3.41Å; V711-E725 HydrophobicContact CG2-CB 4.34Å
712	L	95.9	Very high	86.7	Confident	3 Å²	3	36.3 Å²	36.3	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	159.7	171.5	62.4	85.6	0	0	0	110.9	A652 L660 C700 W701 A714 L724	A652-L712 HydrophobicContact CB-CD2 4.27Å; L660-L712 HydrophobicContact CD2-CD1 3.54Å; L660-L712 HydrophobicContact CD2-CD2 4.34Å; C700-L712 CarbonylContact O-C 3.44Å; C700-L712 VanDerWaalsContact O-CA 3.29Å; C700-L712 WeakPolarHBondContact O-CA 3.49Å; C700-L712 VanDerWaalsContact O-CB 3.3Å; C700-L712 WeakPolarHBondContact O-CB 3.4Å; W701-L712 HydrophobicContact CD2-CB 4.04Å; W701-L712 HydrophobicContact CD2-CD2 4.27Å; W701-L712 HydrophobicContact CE3-CB 3.89Å; W701-L712 HydrophobicContact CE3-CD2 4.1Å; W701-L712 HydrophobicContact CG-CB 4.4Å; W701-L712 HydrophobicContact CH2-CD2 3.99Å; W701-L712 HydrophobicContact CZ2-CD2 4.12Å; W701-L712 HydrophobicContact CZ3-CB 4.49Å; W701-L712 HydrophobicContact CZ3-CD2 3.97Å; L712-A714 HydrophobicContact CD1-CB 4.31Å; L712-L724 HydrophobicContact CD1-CB 3.89Å; L712-L724 HydrophobicContact CD1-CD1 3.94Å; L712-L724 HydrophobicContact CD1-CG 4.36Å; L712-L724 HydrophobicContact CG-CB 4.36Å; L712-L724 PolarHBondContact N-O 3.03Å; L712-L724 PolarHBondContact O-N 3.38Å
713	I	97.4	Very high	86.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.3	170.6	-53.8	-173.7	0	0	0	108.1	I423 F425 F432 V699 C700 I721 V723	I423-I713 HydrophobicContact CD1-CG2 3.95Å; I423-I713 HydrophobicContact CG2-CB 4.41Å; I423-I713 HydrophobicContact CG2-CG2 4.34Å; F425-I713 HydrophobicContact CE1-CD1 4.27Å; F425-I713 HydrophobicContact CE2-CD1 3.83Å; F425-I713 HydrophobicContact CE2-CG1 3.94Å; F425-I713 HydrophobicContact CZ-CD1 3.42Å; F425-I713 VanDerWaalsContact CZ-CD1 3.42Å; F425-I713 HydrophobicContact CZ-CG1 3.85Å; F432-I713 HydrophobicContact CB-CD1 4.27Å; F432-I713 HydrophobicContact CD1-CD1 3.93Å; F432-I713 HydrophobicContact CD2-CD1 3.47Å; F432-I713 VanDerWaalsContact CD2-CD1 3.47Å; F432-I713 HydrophobicContact CE1-CD1 4.08Å; F432-I713 HydrophobicContact CE2-CD1 3.59Å; F432-I713 HydrophobicContact CG-CD1 3.64Å; F432-I713 HydrophobicContact CZ-CD1 3.92Å; V699-I713 CarbonylContact C-O 3.48Å; V699-I713 WeakPolarHBondContact CA-O 3.27Å; C700-I713 PolarHBondContact N-O 3.43Å; C700-I713 PolarHBondContact O-N 3.32Å; I713-I721 HydrophobicContact CG2-CG2 3.51Å; I713-V723 HydrophobicContact CD1-CG2 4.15Å; I713-V723 HydrophobicContact CG1-CG1 4.41Å; I713-V723 HydrophobicContact CG1-CG2 4.14Å
714	A	97.7	Very high	87.1	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	147.4	174.9	0	0	0	0	0	110.6	L660 F676 A698 V699 L712 I721 K722 L724	L660-A714 HydrophobicContact CD1-CB 4.22Å; L660-A714 HydrophobicContact CD2-CB 4.2Å; F676-A714 HydrophobicContact CE2-CB 4.2Å; F676-A714 HydrophobicContact CZ-CB 3.82Å; A698-A714 CarbonylContact O-C 3.58Å; A698-A714 WeakPolarHBondContact O-CA 3.41Å; V699-A714 HydrophobicContact CG1-CB 4.03Å; L712-A714 HydrophobicContact CD1-CB 4.31Å; A714-I721 CarbonylContact O-C 3.55Å; A714-I721 WeakPolarHBondContact O-CA 3.42Å; A714-K722 PolarHBondContact N-O 2.93Å; A714-K722 PolarHBondContact O-N 2.77Å; A714-L724 HydrophobicContact CB-CD1 4.36Å
715	A	96.6	Very high	87.7	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157.6	175.3	0	0	0	0	0	112.4	V420 I423 S697 A698 T720 I721	V420-A715 HydrophobicContact CB-CB 3.84Å; V420-A715 HydrophobicContact CG1-CB 4.02Å; V420-A715 HydrophobicContact CG2-CB 3.95Å; I423-A715 HydrophobicContact CD1-CB 3.81Å; S697-A715 PolarHBondContact N-O 3.36Å; S697-A715 PolarHBondContact OG-O 2.89Å; A698-A715 PolarHBondContact N-O 3.11Å; A698-A715 PolarHBondContact O-N 3.15Å; A715-T720 WeakPolarHBondContact CA-O 3.13Å; A715-I721 HydrophobicContact CB-CB 4.18Å; A715-I721 HydrophobicContact CB-CG1 3.69Å; A715-I721 HydrophobicContact CB-CG2 4.41Å
716	N	94.8	Very high	88.6	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	178	-177.2	77.9	-5.1	0	0	0	114.2	N658 F676 F695 V696 S697 Q718 G719 T720	N658-N716 WeakPolarHBondContact OD1-CB 3.25Å; N658-N716 PolarHBondContact OD1-ND2 2.73Å; F676-N716 HydrophobicContact CD1-CB 4.39Å; F695-N716 CarbonylContact O-C 3.55Å; F695-N716 VanDerWaalsContact O-CA 3.28Å; F695-N716 WeakPolarHBondContact O-CA 3.33Å; F695-N716 WeakPolarHBondContact O-CB 3.29Å; V696-N716 HydrophobicContact CG2-CB 4.5Å; S697-N716 VanDerWaalsContact OG-C 3.32Å; S697-N716 PolarHBondContact OG-O 3.22Å; N716-Q718 PolarHBondContact O-N 2.97Å; N716-Q718 WeakPolarHBondContact OD1-CB 3.24Å; N716-Q718 PolarHBondContact OD1-N 2.61Å; N716-Q718 VanDerWaalsContact OD1-N 3.15Å; N716-G719 PolarHBondContact O-N 3.1Å; N716-G719 PolarHBondContact OD1-N 3.45Å; N716-T720 PolarHBondContact N-O 3.18Å; N716-T720 VanDerWaalsContact N-O 3.07Å; N716-T720 WeakPolarHBondContact OD1-CB 3.5Å; N716-T720 PolarHBondContact OD1-N 3.24Å; N716-T720 PolarHBondContact OD1-O 3.3Å
717	S	92.8	Very high	89.4	Confident	10 Å²	10	22.5 Å²	22.5	7%	0.07	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.3	177.5	43.7	0	0	0	0	115	I419 E694 F695 G719	I419-S717 WeakPolarHBondContact CG1-O 3.3Å; I419-S717 PolarHBondContact N-O 2.91Å; E694-S717 WeakPolarHBondContact CA-OG 3.35Å; E694-S717 WeakPolarHBondContact OE2-CB 3.25Å; E694-S717 PolarHBondContact OE2-OG 3.49Å; F695-S717 PolarHBondContact N-OG 3.32Å; F695-S717 PolarHBondContact O-N 3.42Å; F695-S717 PolarHBondContact O-OG 3Å; S717-G719 PolarHBondContact O-N 2.87Å
718	Q	89.8	Confident	91	Very high	41 Å²	41	21.3 Å²	21.3	19%	0.192	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-10.8	173.2	-54.7	-165.9	-41.9	0	0	112.7	S418 E694 N716 T720	S418-Q718 WeakPolarHBondContact CB-O 3.45Å; S418-Q718 PolarHBondContact OG-O 3.23Å; E694-Q718 VanDerWaalsContact CD-NE2 3.32Å; E694-Q718 HydrophobicContact CG-CG 4.15Å; E694-Q718 VanDerWaalsContact OE1-CG 3.31Å; E694-Q718 WeakPolarHBondContact OE1-CG 3.37Å; E694-Q718 PolarHBondContact OE1-NE2 3.4Å; E694-Q718 VanDerWaalsContact OE2-CG 3.24Å; E694-Q718 WeakPolarHBondContact OE2-CG 3.4Å; N716-Q718 PolarHBondContact O-N 2.97Å; N716-Q718 WeakPolarHBondContact OD1-CB 3.24Å; N716-Q718 PolarHBondContact OD1-N 2.61Å; N716-Q718 VanDerWaalsContact OD1-N 3.15Å; Q718-T720 VanDerWaalsContact C-N 3.3Å
719	G	90.8	Very high	92.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.			trans	80.6	10.2	-173.3	0	0	0	0	0	113.6	Y409 S418 N716 S717 I721	Y409-G719 WeakPolarHBondContact CB-O 3.49Å; Y409-G719 PolarHBondContact N-O 3.38Å; S418-G719 WeakPolarHBondContact O-CA 3.38Å; S418-G719 PolarHBondContact O-N 2.98Å; N716-G719 PolarHBondContact O-N 3.1Å; N716-G719 PolarHBondContact OD1-N 3.45Å; S717-G719 PolarHBondContact O-N 2.87Å; G719-I721 PolarHBondContact O-N 3.27Å
720	T	92.4	Very high	93.4	Very high	25 Å²	25	16.4 Å²	16.4	15%	0.153	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	120.6	169.8	-55	0	0	0	0	108.4	T406 F676 A715 N716 Q718 K722	T406-T720 HydrophobicContact CG2-CG2 4.03Å; F676-T720 HydrophobicContact CD1-CG2 4.24Å; A715-T720 WeakPolarHBondContact CA-O 3.13Å; N716-T720 PolarHBondContact N-O 3.18Å; N716-T720 VanDerWaalsContact N-O 3.07Å; N716-T720 WeakPolarHBondContact OD1-CB 3.5Å; N716-T720 PolarHBondContact OD1-N 3.24Å; N716-T720 PolarHBondContact OD1-O 3.3Å; Q718-T720 VanDerWaalsContact C-N 3.3Å; T720-K722 HydrophobicContact CG2-CG 4.5Å
721	I	94.2	Very high	93.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	138	175.4	-54.7	135.7	0	0	0	107.6	T406 L407 V420 I434 I713 A714 A715 G719	T406-I721 CarbonylContact C-O 3.57Å; T406-I721 WeakPolarHBondContact CA-O 3.43Å; L407-I721 HydrophobicContact CB-CB 4.15Å; L407-I721 HydrophobicContact CB-CD1 3.98Å; L407-I721 HydrophobicContact CD1-CB 4.1Å; L407-I721 HydrophobicContact CD1-CG2 3.84Å; L407-I721 PolarHBondContact N-O 3.05Å; L407-I721 PolarHBondContact O-N 3.31Å; V420-I721 HydrophobicContact CG2-CG1 4.36Å; I434-I721 HydrophobicContact CD1-CD1 3.46Å; I434-I721 VanDerWaalsContact CD1-CD1 3.46Å; I434-I721 HydrophobicContact CD1-CG1 4.09Å; I434-I721 HydrophobicContact CD1-CG2 4.36Å; I434-I721 HydrophobicContact CG2-CD1 4.44Å; I713-I721 HydrophobicContact CG2-CG2 3.51Å; A714-I721 CarbonylContact O-C 3.55Å; A714-I721 WeakPolarHBondContact O-CA 3.42Å; A715-I721 HydrophobicContact CB-CB 4.18Å; A715-I721 HydrophobicContact CB-CG1 3.69Å; A715-I721 HydrophobicContact CB-CG2 4.41Å; G719-I721 PolarHBondContact O-N 3.27Å
722	K	94.6	Very high	93.5	Very high	17 Å²	17	14.4 Å²	14.4	7%	0.074	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134.8	171.3	-70.7	-178.4	-178.4	-81.2	0	110.8	A405 T406 F674 F676 D677 A714 T720 L724	A405-K722 WeakPolarHBondContact O-CA 3.36Å; T406-K722 HydrophobicContact CG2-CG 3.98Å; T406-K722 PolarHBondContact OG1-NZ 3.23Å; F674-K722 HydrophobicContact CE1-CD 3.78Å; F674-K722 HydrophobicContact CZ-CD 3.64Å; F676-K722 HydrophobicContact CD1-CD 4.23Å; F676-K722 HydrophobicContact CE1-CB 4.19Å; F676-K722 HydrophobicContact CE1-CD 4.16Å; F676-K722 HydrophobicContact CE1-CG 4.09Å; F676-K722 HydrophobicContact CZ-CB 4.43Å; D677-K722 VanDerWaalsContact OD2-CE 3.22Å; D677-K722 WeakPolarHBondContact OD2-CE 3.37Å; D677-K722 IonicContact OD2-NZ 3.84Å; D677-K722 PolarHBondContact OD2-NZ 2.97Å; A714-K722 PolarHBondContact N-O 2.93Å; A714-K722 PolarHBondContact O-N 2.77Å; T720-K722 HydrophobicContact CG2-CG 4.5Å; K722-L724 HydrophobicContact CB-CD2 3.93Å; K722-L724 HydrophobicContact CB-CG 4.2Å
723	V	95.2	Very high	93.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	125	166.6	-174.8	0	0	0	0	107	P403 L404 A405 L407 Y446 V449 I450 V711 I713	P403-V723 WeakPolarHBondContact CA-O 3.08Å; L404-V723 HydrophobicContact CB-CB 4.3Å; L404-V723 HydrophobicContact CB-CG1 4.18Å; L404-V723 HydrophobicContact CD1-CG1 4.21Å; L404-V723 PolarHBondContact N-O 2.98Å; A405-V723 HydrophobicContact CB-CB 4.25Å; A405-V723 HydrophobicContact CB-CG2 4.05Å; A405-V723 PolarHBondContact O-N 2.98Å; L407-V723 HydrophobicContact CD1-CG2 4.28Å; Y446-V723 HydrophobicContact CE2-CG1 3.95Å; V449-V723 HydrophobicContact CG1-CG2 4.09Å; I450-V723 HydrophobicContact CG2-CG1 4.19Å; V711-V723 HydrophobicContact CG1-CG1 3.74Å; I713-V723 HydrophobicContact CD1-CG2 4.15Å; I713-V723 HydrophobicContact CG1-CG1 4.41Å; I713-V723 HydrophobicContact CG1-CG2 4.14Å
724	L	95.2	Very high	93.1	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	123.4	-169.7	-59.1	175.3	0	0	0	110.6	R402 P403 L660 F674 V711 L712 A714 K722	R402-L724 WeakPolarHBondContact O-CA 3.48Å; P403-L724 HydrophobicContact CB-CD2 4.19Å; P403-L724 HydrophobicContact CG-CD2 4.09Å; L660-L724 HydrophobicContact CD2-CD1 3.67Å; F674-L724 HydrophobicContact CB-CD1 4.45Å; F674-L724 HydrophobicContact CD1-CD1 3.61Å; F674-L724 HydrophobicContact CD1-CD2 4.19Å; F674-L724 HydrophobicContact CD2-CD2 4.32Å; F674-L724 HydrophobicContact CE1-CD1 4.04Å; F674-L724 HydrophobicContact CE1-CD2 3.96Å; F674-L724 HydrophobicContact CE2-CD2 4.09Å; F674-L724 HydrophobicContact CG-CD1 4Å; F674-L724 HydrophobicContact CG-CD2 4.37Å; F674-L724 HydrophobicContact CZ-CD2 3.91Å; V711-L724 WeakPolarHBondContact CA-O 3.41Å; L712-L724 HydrophobicContact CD1-CB 3.89Å; L712-L724 HydrophobicContact CD1-CD1 3.94Å; L712-L724 HydrophobicContact CD1-CG 4.36Å; L712-L724 HydrophobicContact CG-CB 4.36Å; L712-L724 PolarHBondContact N-O 3.03Å; L712-L724 PolarHBondContact O-N 3.38Å; A714-L724 HydrophobicContact CB-CD1 4.36Å; K722-L724 HydrophobicContact CB-CD2 3.93Å; K722-L724 HydrophobicContact CB-CG 4.2Å
725	E	94	Very high	92.7	Very high	52 Å²	52	17.5 Å²	17.5	24%	0.243	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	139.4	172.5	177.5	-178.1	-130.8	0	0	110.7	V401 R402 L404 V711 V727	V401-E725 CarbonylContact C-O 3.48Å; V401-E725 WeakPolarHBondContact CA-O 3.25Å; R402-E725 HydrophobicContact CB-CB 4.35Å; R402-E725 WeakPolarHBondContact CD-OE2 3.42Å; R402-E725 PolarHBondContact N-O 3.49Å; R402-E725 IonicContact NH1-OE2 3.75Å; R402-E725 PolarHBondContact O-N 2.92Å; L404-E725 HydrophobicContact CD1-CB 4.11Å; L404-E725 HydrophobicContact CD2-CB 4.06Å; L404-E725 HydrophobicContact CG-CB 4.03Å; V711-E725 HydrophobicContact CG2-CB 4.34Å; E725-V727 HydrophobicContact CG-CG2 3.85Å
726	L	91.5	Very high	92.4	Very high	5 Å²	5	19 Å²	19	3%	0.026	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	127.3	171.6	-56.4	-173.5	0	0	0	111.1	Y398 V401 L662 W701 N710	Y398-L726 HydrophobicContact CD1-CB 3.51Å; Y398-L726 HydrophobicContact CD2-CB 4.02Å; Y398-L726 HydrophobicContact CD2-CD1 3.7Å; Y398-L726 HydrophobicContact CE1-CB 3.85Å; Y398-L726 HydrophobicContact CE2-CB 4.3Å; Y398-L726 HydrophobicContact CE2-CD1 3.8Å; Y398-L726 HydrophobicContact CG-CB 3.61Å; Y398-L726 HydrophobicContact CG-CD1 4.15Å; V401-L726 HydrophobicContact CG1-CD2 3.72Å; L662-L726 HydrophobicContact CD1-CD1 4.24Å; L662-L726 HydrophobicContact CD2-CD1 3.66Å; L662-L726 HydrophobicContact CD2-CD2 4.17Å; W701-L726 HydrophobicContact CH2-CD1 3.56Å; W701-L726 HydrophobicContact CZ3-CD1 3.77Å; N710-L726 HydrophobicContact CB-CB 4.42Å; N710-L726 PolarHBondContact ND2-O 2.69Å; N710-L726 WeakPolarHBondContact O-CG 3.4Å; N710-L726 PolarHBondContact O-N 2.82Å
727	V	83.7	Confident	92.2	Very high	77 Å²	77	20.7 Å²	20.7	47%	0.467	11%	0.112	S	C	.	.			trans	-133.3	0	-173.4	-174.1	0	0	0	0	110	N399 S400 R402 E725	N399-V727 CarbonylContact C-O 3.57Å; N399-V727 WeakPolarHBondContact CA-O 3.34Å; N399-V727 PolarHBondContact N-O 3.25Å; N399-V727 PolarHBondContact ND2-O 2.67Å; N399-V727 PolarHBondContact ND2-OXT 2.73Å; S400-V727 CarbonylContact C-O 3.53Å; S400-V727 WeakPolarHBondContact CA-O 3.36Å; S400-V727 PolarHBondContact N-O 3.08Å; S400-V727 PolarHBondContact O-N 2.84Å; S400-V727 PolarHBondContact OG-O 3.06Å; R402-V727 HydrophobicContact CB-CG2 4.29Å; E725-V727 HydrophobicContact CG-CG2 3.85Å

Retrieved 727 of 727 residues in 177.3 ms (Link to these results)

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