A0A087X3V4_POEFO Loading...

E3 ubiquitin-protein ligase TRIM23

Acts as an E3 ubiquitin-protein ligase. Plays an essential role in autophagy activation during viral infection. Mechanistically, activates TANK-binding kinase 1/TBK1 by facilitating its dimerization and ability to phosphorylate the selective autophagy receptor SQSTM1. In order to achieve this function, TRIM23 mediates 'Lys-27'-linked auto-ubiquitination of its ADP-ribosylation factor (ARF) domain to induce its GTPase activity and its recruitment to autophagosomes.

AlphaFold DB , UniProt , Accession A0A087X3V4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 604 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	30	Very low	27.8	Very low	233 Å²	233	175.7 Å²	175.7	100%	1.148	86%	0.858	S	S	*	*				0	135	0	-77.6	172	166.3	0	0	108.3
2	L	28.3	Very low	27.6	Very low	157 Å²	157	172.5 Å²	172.5	82%	0.822	86%	0.864	S	S	*	*			trans	52.2	126.7	142	-53.9	169.3	0	0	0	118.3
3	T	28.1	Very low	27.5	Very low	130 Å²	130	168.2 Å²	168.2	80%	0.798	86%	0.86	S	S	*	*			cis	-161.8	155.1	9.4	14.2	0	0	0	0	111.3
4	S	24.3	Very low	27.4	Very low	108 Å²	108	161.4 Å²	161.4	76%	0.755	85%	0.853	S	S	*	*			trans	-106	152	155.4	50.8	0	0	0	0	109
5	P	41.5	Very low	27.3	Very low	119 Å²	119	156.6 Å²	156.6	77%	0.773	86%	0.857	S	S	*	*				-152.5	-179.3	101.5	35.5	-15.2	0	0	0	113.5
6	S	25.1	Very low	27.1	Very low	107 Å²	107	151.4 Å²	151.4	75%	0.748	85%	0.851	S	S	*	*			cis	-162.2	132.9	-28	52.8	0	0	0	0	112.2
7	K	27.9	Very low	27.1	Very low	196 Å²	196	150.1 Å²	150.1	85%	0.852	85%	0.852	S	S	*	*			trans	1.1	134.9	146.8	-65.5	167.5	178.1	166.2	0	118.9
8	R	24.8	Very low	27.7	Very low	257 Å²	257	147.8 Å²	147.8	97%	0.97	84%	0.844	S	S	*	*			trans	-132.2	122.8	139.7	-98.1	-173.5	175.4	-175.5	-0.2	111.6
9	K	25.6	Very low	27.6	Very low	183 Å²	183	149.3 Å²	149.3	80%	0.796	85%	0.848	S	S	*	*			trans	-89.3	147.5	169	-71	174.5	171.9	176.2	0	109.4
10	R	24.9	Very low	27.4	Very low	254 Å²	254	152.8 Å²	152.8	96%	0.958	85%	0.847	S	S	*	*			trans	-130.9	119.5	143.6	-82.9	-169.7	171	-175.3	-2.7	109.2
11	K	25.4	Very low	27.3	Very low	189 Å²	189	151.6 Å²	151.6	82%	0.822	85%	0.848	S	S	*	*			trans	-91.1	143.3	162.4	-81.7	-176.4	166.6	-170.2	0	107.6
12	C	25.2	Very low	27.1	Very low	137 Å²	137	151.6 Å²	151.6	93%	0.926	84%	0.835	S	S	*	*			trans	-147.2	104.3	144.3	-89.9	0	0	0	0	108.5
13	S	26.4	Very low	26.8	Very low	116 Å²	116	152.1 Å²	152.1	81%	0.811	84%	0.838	S	S	*	*			trans	-76.6	156.7	153.6	45.3	0	0	0	0	108.9
14	G	26.4	Very low	26.5	Very low	74 Å²	74	157.7 Å²	157.7	76%	0.763	84%	0.844	S	S	*	*			cis	169.7	-178.8	1.1	0	0	0	0	0	110.2
15	G	25.5	Very low	26.4	Very low	89 Å²	89	161.7 Å²	161.7	92%	0.918	85%	0.853	S	S	*	*			trans	87	140.2	-177.8	0	0	0	0	0	113.5
16	G	25	Very low	25.6	Very low	73 Å²	73	161 Å²	161	75%	0.753	86%	0.857	S	S	*	*			cis	169.5	87.2	-1.4	0	0	0	0	0	113.5
17	C	26.8	Very low	25.5	Very low	129 Å²	129	160.8 Å²	160.8	87%	0.872	86%	0.863	S	S	*	*			trans	66.5	172.6	140.1	-123.4	0	0	0	0	118.5
18	P	37.5	Very low	25.3	Very low	110 Å²	110	156.6 Å²	156.6	71%	0.714	86%	0.864	S	S	*	*				-127.5	171.8	-99.3	41.6	-27.2	0	0	0	114
19	L	25.1	Very low	25.2	Very low	176 Å²	176	149.5 Å²	149.5	92%	0.921	86%	0.86	S	S	*	*			trans	-157.3	153	156.5	-110.7	163	0	0	0	113.5
20	R	24.3	Very low	25.2	Very low	219 Å²	219	145.9 Å²	145.9	83%	0.826	87%	0.865	S	S	*	*			trans	-84.9	149.7	-171.4	-63.9	164.5	161.7	-178.6	-6.5	113
21	C	24.3	Very low	25.1	Very low	127 Å²	127	136.8 Å²	136.8	86%	0.858	85%	0.85	S	S	*	*			trans	-163.3	95.7	147.3	-114	0	0	0	0	107.7
22	R	25.8	Very low	25.1	Very low	234 Å²	234	135.5 Å²	135.5	88%	0.883	85%	0.851	S	S	*	*				41.3	119.7	78.3	-90.5	-166.1	175.6	-169.6	-1.6	115.2
23	L	22.1	Very low	25.1	Very low	168 Å²	168	135.1 Å²	135.1	88%	0.88	84%	0.839	S	S	*	*			trans	-52.7	150.9	169.8	-75.7	67.7	0	0	0	112.4
24	R	23.3	Very low	25	Very low	247 Å²	247	137 Å²	137	93%	0.932	83%	0.833	S	S	*	*			trans	-159.1	131.1	130.8	-114.4	173.7	-177.5	-170.6	-1.6	111.9
25	M	22.3	Very low	25	Very low	191 Å²	191	142 Å²	142	94%	0.941	84%	0.836	S	S	*	*			trans	-70.3	147.5	157.3	-75.8	-178.2	161.5	0	0	109.9
26	A	24.6	Very low	24.9	Very low	104 Å²	104	141.5 Å²	141.5	86%	0.86	83%	0.831	S	S	*	*			trans	-160.2	126.4	147	0	0	0	0	0	109.4
27	A	22.8	Very low	24.9	Very low	104 Å²	104	143 Å²	143	86%	0.86	84%	0.837	S	S	*	*			trans	-100.5	146.6	166.4	0	0	0	0	0	109.4
28	A	23.8	Very low	24.8	Very low	107 Å²	107	143.3 Å²	143.3	88%	0.884	83%	0.834	S	S	*	*			trans	-165.3	144.1	154.4	0	0	0	0	0	110.3
29	A	23	Very low	24.2	Very low	108 Å²	108	142.9 Å²	142.9	89%	0.893	84%	0.84	S	S	*	*			trans	-98.7	157	-179.7	0	0	0	0	0	112.5
30	A	25.2	Very low	24.2	Very low	107 Å²	107	142.1 Å²	142.1	88%	0.884	83%	0.834	S	S	*	*			trans	-154.9	137.1	154.2	0	0	0	0	0	109.4
31	G	21.8	Very low	24.1	Very low	63 Å²	63	139.6 Å²	139.6	65%	0.649	83%	0.833	S	S	*	*			trans	-124.1	-153.2	175.3	0	0	0	0	0	111.8
32	I	26.3	Very low	24.1	Very low	163 Å²	163	142.4 Å²	142.4	84%	0.836	83%	0.834	S	S	*	*			trans	77.3	137.2	176.4	-49.4	168.5	0	0	0	111.2
33	N	24.7	Very low	24.1	Very low	129 Å²	129	136.9 Å²	136.9	69%	0.69	83%	0.828	S	S	*	*			cis	-157.4	176	6	-115.8	-14.5	0	0	0	106.9
34	K	25.1	Very low	24.1	Very low	154 Å²	154	134.8 Å²	134.8	67%	0.67	83%	0.826	S	S	*	*			cis	-171.8	152.7	-29.9	-132.4	-178.4	-166	174.5	0	108.1
35	Q	25.1	Very low	24.2	Very low	180 Å²	180	130.6 Å²	130.6	84%	0.841	82%	0.821	S	S	*	*			trans	63.5	150.1	159	-64	159.5	-21.6	0	0	117.6
36	G	23.1	Very low	24.3	Very low	78 Å²	78	132.9 Å²	132.9	80%	0.804	82%	0.82	S	S	*	*			cis	154.2	121.3	-8	0	0	0	0	0	111.9
37	A	25.8	Very low	24.4	Very low	106 Å²	106	136.3 Å²	136.3	88%	0.876	82%	0.817	S	S	*	*			trans	-154	134.4	168	0	0	0	0	0	110.3
38	V	24.1	Very low	24.4	Very low	135 Å²	135	134.9 Å²	134.9	82%	0.818	81%	0.813	S	S	*	*			trans	-119.3	131.9	-178.3	173	0	0	0	0	109.1
39	A	25.6	Very low	24.6	Very low	101 Å²	101	142.1 Å²	142.1	84%	0.835	82%	0.817	S	S	*	*			trans	-146.5	124.1	160	0	0	0	0	0	110
40	M	24.5	Very low	24.7	Very low	160 Å²	160	140.4 Å²	140.4	79%	0.788	81%	0.81	S	S	*	*			trans	-76.5	168.3	167.2	-63.2	-83.5	173.4	0	0	108.5
41	M	23.6	Very low	24.7	Very low	166 Å²	166	140.2 Å²	140.2	82%	0.818	81%	0.808	S	S	*	*			cis	-163.7	145.4	7.8	-139.6	167.9	-175.7	0	0	108
42	E	24.1	Very low	25.1	Very low	185 Å²	185	145.8 Å²	145.8	86%	0.864	82%	0.823	S	S	*	*			trans	162	151.6	131.6	-88.8	-162.1	152.3	0	0	112.1
43	P	25	Very low	25.2	Very low	119 Å²	119	140.5 Å²	140.5	77%	0.773	81%	0.809	S	S	*	*			trans	-104.4	115.4	-150.8	36	-29.7	0	0	0	114.7
44	C	23.2	Very low	25.5	Very low	124 Å²	124	140.3 Å²	140.3	84%	0.838	82%	0.818	S	S	*	*			trans	-94.6	109.8	159.9	-74.9	0	0	0	0	110.4	R46	C44-R46 PolarHBondContact O-N 3.05Å
45	L	24.5	Very low	26	Very low	158 Å²	158	138.4 Å²	138.4	83%	0.827	82%	0.819	S	S	*	*			trans	-60.5	103.8	174.3	-81.2	154.6	0	0	0	111.1
46	R	24	Very low	26.8	Very low	240 Å²	240	134.8 Å²	134.8	91%	0.906	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-79.1	123.5	161.7	-68.4	-178.4	176.6	-171.2	-0.6	108.7	C44	C44-R46 PolarHBondContact O-N 3.05Å
47	H	26.5	Very low	28.1	Very low	175 Å²	175	138.9 Å²	138.9	81%	0.81	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-95.7	148.2	155.4	-87.3	76	0	0	0	110
48	G	24.4	Very low	29.6	Very low	74 Å²	74	138.2 Å²	138.2	76%	0.763	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-74.1	144.6	-157.9	0	0	0	0	0	114.8	G50	G48-G50 VanDerWaalsContact C-N 3.33Å; G48-G50 PolarHBondContact O-N 3.39Å; G48-G50 VanDerWaalsContact O-N 3.11Å
49	R	26.5	Very low	32.1	Very low	259 Å²	259	133.7 Å²	133.7	98%	0.977	76%	0.761	S	S	*	*			trans	-71.6	94	151.7	-77.4	-176.5	170.9	-169	-4.7	107.9
50	G	25	Very low	34.8	Very low	72 Å²	72	132.3 Å²	132.3	74%	0.742	74%	0.737	S	S	*	*			trans	-69	149.8	163.9	0	0	0	0	0	110.7	G48	G48-G50 VanDerWaalsContact C-N 3.33Å; G48-G50 PolarHBondContact O-N 3.39Å; G48-G50 VanDerWaalsContact O-N 3.11Å
51	A	25.6	Very low	37.6	Very low	103 Å²	103	124.7 Å²	124.7	85%	0.851	70%	0.7	S	S	*	*			trans	-71.9	169.2	-178.7	0	0	0	0	0	112.8	G53	A51-G53 PolarHBondContact O-N 3.45Å
52	N	31.4	Very low	40.3	Very low	180 Å²	180	119.3 Å²	119.3	96%	0.963	69%	0.687	S	S	*	*			trans	-44.2	99.4	-178.9	-70.7	-17.8	0	0	0	114.1
53	G	26.6	Very low	43.2	Very low	52 Å²	52	113.5 Å²	113.5	54%	0.536	66%	0.664	S	S	.	*			trans	-118.9	135.9	152.6	0	0	0	0	0	107.9	A51 T55	A51-G53 PolarHBondContact O-N 3.45Å; G53-T55 VanDerWaalsContact C-N 3.27Å; G53-T55 PolarHBondContact O-N 3.38Å
54	S	32.6	Very low	46	Very low	126 Å²	126	109.9 Å²	109.9	88%	0.881	64%	0.641	S	S	*	*			trans	-73.2	80.5	178.9	55.6	0	0	0	0	110.7
55	T	34.3	Very low	48.9	Very low	113 Å²	113	111.2 Å²	111.2	69%	0.693	64%	0.635	S	S	*	*			trans	-67	144	173.6	47.9	0	0	0	0	110.9	G53 K57	G53-T55 VanDerWaalsContact C-N 3.27Å; G53-T55 PolarHBondContact O-N 3.38Å; T55-K57 PolarHBondContact O-N 3.11Å
56	V	41.7	Very low	51.6	Low	105 Å²	105	107.3 Å²	107.3	64%	0.636	62%	0.615	S	S	*	*			trans	-74.5	98.3	-170.1	178.3	0	0	0	0	110.3	V58	V56-V58 HydrophobicContact CG1-CB 3.75Å; V56-V58 HydrophobicContact CG1-CG2 3.57Å; V56-V58 PolarHBondContact O-N 3.43Å
57	K	52.3	Low	54.3	Low	164 Å²	164	100 Å²	100	71%	0.713	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-58.7	4.5	176.9	-67.6	-166.7	172.3	-162.9	0	116	T55	T55-K57 PolarHBondContact O-N 3.11Å
58	V	57.3	Low	57	Low	91 Å²	91	92.2 Å²	92.2	55%	0.552	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-77.2	-23.3	-176.6	-176.4	0	0	0	0	112	V56 L125	V56-V58 HydrophobicContact CG1-CB 3.75Å; V56-V58 HydrophobicContact CG1-CG2 3.57Å; V56-V58 PolarHBondContact O-N 3.43Å; V58-L125 HydrophobicContact CG1-CD1 4.18Å
59	L	74.8	Confident	59.4	Low	41 Å²	41	90.3 Å²	90.3	22%	0.215	54%	0.535	C	S	.	.	G	3₁₀ helix	trans	-94.2	-0.4	-177.4	-58.5	178.5	0	0	0	114.1	V67 F68 L125 L128 L129 L132	L59-V67 WeakPolarHBondContact O-CA 3.48Å; L59-F68 VanDerWaalsContact O-CD2 3.25Å; L59-F68 WeakPolarHBondContact O-CD2 3.35Å; L59-F68 PolarHBondContact O-N 3.34Å; L59-L125 HydrophobicContact CD2-CD1 4.04Å; L59-L128 HydrophobicContact CD2-CD2 3.89Å; L59-L128 HydrophobicContact CD2-CG 4.32Å; L59-L129 HydrophobicContact CD2-CD2 4.05Å; L59-L129 HydrophobicContact CD2-CG 4.44Å; L59-L132 HydrophobicContact CD1-CD1 3.59Å; L59-L132 HydrophobicContact CD2-CD1 4.28Å
60	E	83.4	Confident	61.4	Low	71 Å²	71	80 Å²	80	33%	0.332	50%	0.5	S	S	.	.	B	Isolated β-bridge	trans	-112	146.4	-176.6	-69.8	165.3	-173.7	0	0	111	G62 D66 V67 F68	E60-G62 PolarHBondContact O-N 3.2Å; E60-D66 WeakPolarHBondContact CA-O 3.41Å; E60-V67 HydrophobicContact CG-CG2 4.2Å; E60-F68 VanDerWaalsContact C-CE2 3.42Å; E60-F68 VanDerWaalsContact O-CE2 3.26Å; E60-F68 WeakPolarHBondContact O-CE2 3.45Å
61	C	83.7	Confident	63.5	Low	1 Å²	1	84.4 Å²	84.4	1%	0.007	50%	0.501	C	S	.	.			trans	-79.1	112.6	174.6	-178.9	0	0	0	0	110.9	V63 C64 E65 D66 F68 C86	C61-V63 PolarHBondContact O-N 2.93Å; C61-C64 PolarHBondContact O-N 3.11Å; C61-E65 WeakPolarHBondContact O-CA 3.33Å; C61-E65 PolarHBondContact O-N 3.47Å; C61-D66 PolarHBondContact N-O 3.38Å; C61-F68 VanDerWaalsContact CA-CZ 3.49Å; C61-F68 HydrophobicContact CB-CD1 4.29Å; C61-F68 HydrophobicContact CB-CE1 3.61Å; C61-F68 HydrophobicContact CB-CE2 4.43Å; C61-F68 HydrophobicContact CB-CZ 3.7Å; C61-C86 HydrophobicContact CB-CB 3.93Å; C61-C86 PolarHBondContact SG-N 3.04Å
62	G	79.6	Confident	65.8	Low	53 Å²	53	81.8 Å²	81.8	55%	0.546	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	14.2	177.3	0	0	0	0	0	117.5	E60 F104	E60-G62 PolarHBondContact O-N 3.2Å; G62-F104 WeakPolarHBondContact O-CE1 3.45Å
63	V	84	Confident	67.9	Low	63 Å²	63	78 Å²	78	38%	0.382	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-34.5	171.6	-177.9	0	0	0	0	112.3	C61 V85 C89 P103 F104	C61-V63 PolarHBondContact O-N 2.93Å; V63-V85 HydrophobicContact CB-CG1 4.47Å; V63-V85 HydrophobicContact CG2-CG1 3.8Å; V63-V85 HydrophobicContact CG2-CG2 4.31Å; V63-C89 HydrophobicContact CB-CB 4.22Å; V63-C89 HydrophobicContact CG1-CB 4.19Å; V63-P103 HydrophobicContact CG2-CB 4.22Å; V63-P103 HydrophobicContact CG2-CG 3.89Å; V63-F104 HydrophobicContact CG2-CZ 3.92Å
64	C	85.3	Confident	70.5	Confident	43 Å²	43	77.8 Å²	77.8	29%	0.291	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-4.8	-179.3	63.7	0	0	0	0	114.2	C61 D66 K74 C89	C61-C64 PolarHBondContact O-N 3.11Å; C64-D66 PolarHBondContact O-N 2.9Å; C64-D66 PolarHBondContact SG-OD2 3.07Å; C64-D66 VanDerWaalsContact SG-OD2 3.36Å; C64-K74 PolarHBondContact SG-NZ 3.46Å; C64-K74 VanDerWaalsContact SG-NZ 3.42Å; C64-C89 PolarHBondContact SG-SG 3.17Å
65	E	83.5	Confident	72.7	Confident	152 Å²	152	72 Å²	72	71%	0.71	41%	0.408	S	S	*	.			trans	59.9	7.3	-177.2	-54.2	-173.8	153.6	0	0	114.6	C61	C61-E65 WeakPolarHBondContact O-CA 3.33Å; C61-E65 PolarHBondContact O-N 3.47Å
66	D	82.3	Confident	74.9	Confident	76 Å²	76	66.7 Å²	66.7	41%	0.406	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-77.8	146.3	172.7	-61.7	-51.6	0	0	0	112.3	E60 C61 C64 K74	E60-D66 WeakPolarHBondContact CA-O 3.41Å; C61-D66 PolarHBondContact N-O 3.38Å; C64-D66 PolarHBondContact O-N 2.9Å; C64-D66 PolarHBondContact SG-OD2 3.07Å; C64-D66 VanDerWaalsContact SG-OD2 3.36Å; D66-K74 HydrophobicContact CB-CD 4.32Å; D66-K74 WeakPolarHBondContact OD2-CE 3.46Å; D66-K74 IonicContact OD2-NZ 3.16Å; D66-K74 PolarHBondContact OD2-NZ 3.07Å
67	V	80.5	Confident	76.9	Confident	87 Å²	87	62.3 Å²	62.3	53%	0.527	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-64.7	137.8	172.7	-176.9	0	0	0	0	111.1	L59 E60	L59-V67 WeakPolarHBondContact O-CA 3.48Å; E60-V67 HydrophobicContact CG-CG2 4.2Å
68	F	82.8	Confident	78.2	Confident	10 Å²	10	57.1 Å²	57.1	4%	0.044	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-68	146.5	177.4	-70.6	-66.3	0	0	0	113.1	L59 E60 C61 K74 P76 T84 C86 L125 L129	L59-F68 VanDerWaalsContact O-CD2 3.25Å; L59-F68 WeakPolarHBondContact O-CD2 3.35Å; L59-F68 PolarHBondContact O-N 3.34Å; E60-F68 VanDerWaalsContact C-CE2 3.42Å; E60-F68 VanDerWaalsContact O-CE2 3.26Å; E60-F68 WeakPolarHBondContact O-CE2 3.45Å; C61-F68 VanDerWaalsContact CA-CZ 3.49Å; C61-F68 HydrophobicContact CB-CD1 4.29Å; C61-F68 HydrophobicContact CB-CE1 3.61Å; C61-F68 HydrophobicContact CB-CE2 4.43Å; C61-F68 HydrophobicContact CB-CZ 3.7Å; F68-K74 WeakPolarHBondContact CA-O 3.24Å; F68-K74 WeakPolarHBondContact CD1-O 3.29Å; F68-P76 HydrophobicContact CB-CB 4.49Å; F68-P76 HydrophobicContact CB-CG 4.3Å; F68-P76 HydrophobicContact CD1-CB 3.59Å; F68-P76 HydrophobicContact CD1-CG 4.24Å; F68-P76 HydrophobicContact CD2-CB 4.46Å; F68-P76 HydrophobicContact CE1-CB 3.76Å; F68-P76 HydrophobicContact CG-CB 3.96Å; F68-P76 HydrophobicContact CG-CG 4.3Å; F68-P76 HydrophobicContact CZ-CB 4.28Å; F68-T84 HydrophobicContact CE1-CG2 4.23Å; F68-T84 HydrophobicContact CE2-CG2 4.37Å; F68-T84 HydrophobicContact CZ-CG2 3.83Å; F68-C86 HydrophobicContact CD1-CB 4.34Å; F68-C86 HydrophobicContact CE1-CB 4.08Å; F68-L125 HydrophobicContact CD2-CD2 3.48Å; F68-L125 VanDerWaalsContact CD2-CD2 3.48Å; F68-L125 HydrophobicContact CE2-CD2 3.65Å; F68-L125 HydrophobicContact CG-CD2 4.17Å; F68-L125 HydrophobicContact CZ-CD2 4.44Å; F68-L129 HydrophobicContact CB-CD1 3.71Å
69	S	74.7	Confident	79.4	Confident	34 Å²	34	53.1 Å²	53.1	24%	0.238	30%	0.302	C	S	.	.			trans	-113	155.4	179.3	69.3	0	0	0	0	113.1	Q71 K74 V75	S69-Q71 VanDerWaalsContact C-N 3.33Å; S69-Q71 WeakPolarHBondContact CB-O 3.46Å; S69-Q71 PolarHBondContact OG-O 3.5Å; S69-K74 PolarHBondContact N-O 3.21Å; S69-K74 VanDerWaalsContact OG-C 3.27Å; S69-K74 WeakPolarHBondContact OG-CB 3.33Å; S69-V75 WeakPolarHBondContact O-CA 3.4Å
70	L	68.5	Low	79.6	Confident	44 Å²	44	57.4 Å²	57.4	23%	0.23	32%	0.324	C	S	.	.	S	Bend	trans	-68.2	-32.2	176	-64.3	179.7	0	0	0	113	L126 L129 E130 Q133	L70-L126 HydrophobicContact CD2-CB 4.39Å; L70-L126 HydrophobicContact CD2-CD2 3.91Å; L70-L126 VanDerWaalsContact CD2-O 3.3Å; L70-L126 WeakPolarHBondContact CD2-O 3.12Å; L70-L129 HydrophobicContact CD2-CB 3.86Å; L70-E130 HydrophobicContact CD1-CB 4.29Å; L70-E130 HydrophobicContact CD2-CB 4.1Å; L70-Q133 VanDerWaalsContact CD1-OE1 3.27Å
71	Q	69.5	Low	79.5	Confident	164 Å²	164	55.8 Å²	55.8	77%	0.766	32%	0.32	S	S	*	.	S	Bend	trans	-140.9	159.1	-177.5	-58.8	-173.6	9.1	0	0	111.1	S69 V75	S69-Q71 VanDerWaalsContact C-N 3.33Å; S69-Q71 WeakPolarHBondContact CB-O 3.46Å; S69-Q71 PolarHBondContact OG-O 3.5Å; Q71-V75 VanDerWaalsContact C-CG2 3.45Å; Q71-V75 VanDerWaalsContact CA-CG2 3.49Å
72	G	72.5	Confident	79.1	Confident	48 Å²	48	58 Å²	58	50%	0.495	34%	0.344	S	S	.	.	S	Bend	trans	81.5	-150.5	179.2	0	0	0	0	0	115.4	K74 V75	G72-K74 PolarHBondContact O-N 3.41Å; G72-V75 WeakPolarHBondContact O-CB 3.34Å; G72-V75 WeakPolarHBondContact O-CG2 3.41Å; G72-V75 PolarHBondContact O-N 2.99Å
73	D	76.3	Confident	79.2	Confident	101 Å²	101	59.1 Å²	59.1	54%	0.54	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-25.4	-165.4	-72.5	-22.9	0	0	0	114.9	H87 D88	D73-H87 WeakPolarHBondContact O-CB 3.47Å; D73-H87 PolarHBondContact O-N 3.29Å; D73-D88 HydrophobicContact CB-CB 3.91Å; D73-D88 WeakPolarHBondContact O-CB 3.47Å; D73-D88 PolarHBondContact O-N 2.92Å
74	K	80.9	Confident	79.3	Confident	47 Å²	47	57.5 Å²	57.5	20%	0.204	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	18.3	177.6	-56.7	-60.9	-173.1	175.4	0	113.3	C64 D66 F68 S69 G72 C86 D88	C64-K74 PolarHBondContact SG-NZ 3.46Å; C64-K74 VanDerWaalsContact SG-NZ 3.42Å; D66-K74 HydrophobicContact CB-CD 4.32Å; D66-K74 WeakPolarHBondContact OD2-CE 3.46Å; D66-K74 IonicContact OD2-NZ 3.16Å; D66-K74 PolarHBondContact OD2-NZ 3.07Å; F68-K74 WeakPolarHBondContact CA-O 3.24Å; F68-K74 WeakPolarHBondContact CD1-O 3.29Å; S69-K74 PolarHBondContact N-O 3.21Å; S69-K74 VanDerWaalsContact OG-C 3.27Å; S69-K74 WeakPolarHBondContact OG-CB 3.33Å; G72-K74 PolarHBondContact O-N 3.41Å; K74-C86 HydrophobicContact CD-CB 4.21Å; K74-D88 IonicContact NZ-OD2 3.31Å
75	V	78.4	Confident	79.4	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.03	31%	0.311	C	S	.	.			trans	-64.5	128.2	173.7	168.9	0	0	0	0	110.7	S69 Q71 G72 H87 K121	S69-V75 WeakPolarHBondContact O-CA 3.4Å; Q71-V75 VanDerWaalsContact C-CG2 3.45Å; Q71-V75 VanDerWaalsContact CA-CG2 3.49Å; G72-V75 WeakPolarHBondContact O-CB 3.34Å; G72-V75 WeakPolarHBondContact O-CG2 3.41Å; G72-V75 PolarHBondContact O-N 2.99Å; V75-H87 PolarHBondContact O-N 2.9Å; V75-K121 HydrophobicContact CG1-CD 3.96Å; V75-K121 HydrophobicContact CG1-CG 3.93Å
76	P	81.9	Confident	79.6	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	128.8	177.9	27	-32.3	0	0	0	111.4	F68 T84 K121 N122 L125 L126	F68-P76 HydrophobicContact CB-CB 4.49Å; F68-P76 HydrophobicContact CB-CG 4.3Å; F68-P76 HydrophobicContact CD1-CB 3.59Å; F68-P76 HydrophobicContact CD1-CG 4.24Å; F68-P76 HydrophobicContact CD2-CB 4.46Å; F68-P76 HydrophobicContact CE1-CB 3.76Å; F68-P76 HydrophobicContact CG-CB 3.96Å; F68-P76 HydrophobicContact CG-CG 4.3Å; F68-P76 HydrophobicContact CZ-CB 4.28Å; P76-T84 HydrophobicContact CB-CG2 3.39Å; P76-K121 WeakPolarHBondContact O-CA 3.38Å; P76-N122 HydrophobicContact CB-CB 4.09Å; P76-N122 HydrophobicContact CG-CB 4.37Å; P76-N122 PolarHBondContact O-N 2.91Å; P76-L125 HydrophobicContact CB-CD2 3.89Å; P76-L125 HydrophobicContact CG-CB 4.47Å; P76-L125 HydrophobicContact CG-CD2 4.16Å; P76-L126 HydrophobicContact CG-CD2 4.02Å; P76-L126 HydrophobicContact CG-CG 3.99Å
77	R	81.9	Confident	79.6	Confident	13 Å²	13	44.8 Å²	44.8	5%	0.049	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.9	175.9	-65.1	-178	-177.1	-104.2	14.3	111.5	T84 V85 H87 L90 W117 L119 K120	R77-T84 WeakPolarHBondContact O-CA 3.34Å; R77-V85 PolarHBondContact N-O 2.89Å; R77-V85 PolarHBondContact O-N 3.34Å; R77-H87 PolarHBondContact NE-ND1 3.13Å; R77-L90 HydrophobicContact CB-CD1 3.77Å; R77-W117 PolarHBondContact NH1-O 3.33Å; R77-L119 HydrophobicContact CB-CB 4.29Å; R77-L119 PolarHBondContact NH1-O 3.29Å; R77-K120 WeakPolarHBondContact CA-O 3.37Å
78	L	81.4	Confident	79.9	Confident	55 Å²	55	41.9 Å²	41.9	29%	0.288	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	133.6	-177	-70.3	165.6	0	0	0	111.6	G82 T84 K120 N122	L78-G82 WeakPolarHBondContact CD2-O 3.46Å; L78-T84 WeakPolarHBondContact CD2-OG1 3.44Å; L78-K120 PolarHBondContact N-O 3.46Å; L78-N122 HydrophobicContact CD1-CB 4.23Å; L78-N122 HydrophobicContact CD2-CB 4.23Å; L78-N122 HydrophobicContact CG-CB 3.94Å
79	L	81.9	Confident	80	Confident	8 Å²	8	41.8 Å²	41.8	4%	0.042	24%	0.24	C	C	.	.			trans	-89.2	165.8	164.8	-65.6	171	0	0	0	110.2	C81 G82 H83 V85 L90 C102 T109 L119	L79-C81 PolarHBondContact O-N 3.42Å; L79-C81 VanDerWaalsContact O-N 3.16Å; L79-G82 PolarHBondContact O-N 2.97Å; L79-H83 PolarHBondContact N-O 3.07Å; L79-V85 HydrophobicContact CD1-CG2 4.25Å; L79-L90 HydrophobicContact CD1-CD2 4.29Å; L79-L90 HydrophobicContact CD2-CD2 3.95Å; L79-L90 HydrophobicContact CG-CD2 4.33Å; L79-C102 HydrophobicContact CD1-CB 3.81Å; L79-T109 HydrophobicContact CD2-CG2 4.14Å; L79-L119 HydrophobicContact CD2-CD1 4.13Å
80	L	78.6	Confident	80.5	Confident	130 Å²	130	40.2 Å²	40.2	68%	0.681	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-25.7	179.6	-76.3	173.9	0	0	0	113.8	G82 T109	L80-G82 PolarHBondContact O-N 3.44Å; L80-T109 HydrophobicContact CD1-CG2 4.4Å; L80-T109 HydrophobicContact CG-CG2 4.08Å; L80-T109 PolarHBondContact N-OG1 3.48Å
81	C	81	Confident	81.2	Confident	37 Å²	37	41.4 Å²	41.4	25%	0.25	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-4.3	174.6	52.1	0	0	0	0	114.5	L79 H83 D105 Q107	L79-C81 PolarHBondContact O-N 3.42Å; L79-C81 VanDerWaalsContact O-N 3.16Å; C81-H83 VanDerWaalsContact C-N 3.29Å; C81-H83 PolarHBondContact O-N 3Å; C81-D105 WeakPolarHBondContact CB-OD2 3.14Å; C81-D105 PolarHBondContact SG-OD2 3.1Å; C81-Q107 VanDerWaalsContact CA-OE1 3.23Å; C81-Q107 HydrophobicContact CB-CB 4.25Å
82	G	75.2	Confident	81.8	Confident	48 Å²	48	42.5 Å²	42.5	50%	0.495	24%	0.236	S	C	.	.	S	Bend	trans	84.4	-9.7	-175	0	0	0	0	0	114.8	L78 L79 L80	L78-G82 WeakPolarHBondContact CD2-O 3.46Å; L79-G82 PolarHBondContact O-N 2.97Å; L80-G82 PolarHBondContact O-N 3.44Å
83	H	82.5	Confident	82.3	Confident	76 Å²	76	42 Å²	42	35%	0.352	22%	0.222	S	C	.	.			trans	-63.5	139.9	173.1	-75.6	103	0	0	0	111.6	L79 C81 F104 D105	L79-H83 PolarHBondContact N-O 3.07Å; C81-H83 VanDerWaalsContact C-N 3.29Å; C81-H83 PolarHBondContact O-N 3Å; H83-F104 HydrophobicContact CB-CD2 3.79Å; H83-F104 HydrophobicContact CB-CE2 4.22Å; H83-F104 AromaticContact CD2-CD2 3.5Å; H83-F104 VanDerWaalsContact CD2-CD2 3.5Å; H83-F104 WeakPolarHBondContact CD2-CD2 3.24Å; H83-F104 AromaticContact CD2-CG 3.93Å; H83-F104 AromaticContact CG-CD2 3.61Å; H83-D105 IonicContact CE1-OD2 3.49Å; H83-D105 PolarHBondContact CE1-OD2 2.57Å; H83-D105 IonicContact CG-OD2 2.86Å; H83-D105 IonicContact ND1-OD2 3.55Å; H83-D105 PolarHBondContact ND1-OD2 2.92Å
84	T	85.4	Confident	82.2	Confident	29 Å²	29	41.6 Å²	41.6	18%	0.178	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	128	-179.5	-59.7	0	0	0	0	110.6	F68 P76 R77 L78 N122 L125	F68-T84 HydrophobicContact CE1-CG2 4.23Å; F68-T84 HydrophobicContact CE2-CG2 4.37Å; F68-T84 HydrophobicContact CZ-CG2 3.83Å; P76-T84 HydrophobicContact CB-CG2 3.39Å; R77-T84 WeakPolarHBondContact O-CA 3.34Å; L78-T84 WeakPolarHBondContact CD2-OG1 3.44Å; T84-N122 HydrophobicContact CG2-CB 4.04Å; T84-N122 PolarHBondContact OG1-ND2 3.47Å; T84-L125 HydrophobicContact CG2-CD2 4.1Å
85	V	87.3	Confident	82	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	149.4	-178.6	-177.9	0	0	0	0	109.6	V63 R77 L79 C89 L90 F104	V63-V85 HydrophobicContact CB-CG1 4.47Å; V63-V85 HydrophobicContact CG2-CG1 3.8Å; V63-V85 HydrophobicContact CG2-CG2 4.31Å; R77-V85 PolarHBondContact N-O 2.89Å; R77-V85 PolarHBondContact O-N 3.34Å; L79-V85 HydrophobicContact CD1-CG2 4.25Å; V85-C89 HydrophobicContact CG1-CB 3.55Å; V85-L90 HydrophobicContact CB-CD1 4.22Å; V85-L90 HydrophobicContact CB-CD2 3.78Å; V85-L90 HydrophobicContact CB-CG 3.81Å; V85-L90 HydrophobicContact CG1-CD2 3.81Å; V85-L90 HydrophobicContact CG1-CG 3.71Å; V85-L90 HydrophobicContact CG2-CD2 4.37Å; V85-F104 HydrophobicContact CG2-CE2 3.72Å; V85-F104 HydrophobicContact CG2-CZ 4.43Å
86	C	87.3	Confident	81.5	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	147.7	-179.8	97.9	0	0	0	0	111	C61 F68 K74 D88 C89 L90	C61-C86 HydrophobicContact CB-CB 3.93Å; C61-C86 PolarHBondContact SG-N 3.04Å; F68-C86 HydrophobicContact CD1-CB 4.34Å; F68-C86 HydrophobicContact CE1-CB 4.08Å; K74-C86 HydrophobicContact CD-CB 4.21Å; C86-D88 PolarHBondContact O-N 3.1Å; C86-C89 HydrophobicContact CB-CB 4.07Å; C86-C89 WeakPolarHBondContact CB-SG 3.33Å; C86-C89 VanDerWaalsContact O-CB 3.29Å; C86-C89 WeakPolarHBondContact O-CB 3.39Å; C86-C89 PolarHBondContact O-N 3.34Å; C86-C89 VanDerWaalsContact O-N 3.09Å; C86-C89 WeakPolarHBondContact SG-CB 3.49Å; C86-C89 PolarHBondContact SG-N 3.33Å; C86-C89 CovalentContact SG-SG 2.05Å; C86-C89 PolarHBondContact SG-SG 2.79Å; C86-L90 PolarHBondContact O-N 3.02Å
87	H	83.8	Confident	81.1	Confident	5 Å²	5	52.1 Å²	52.1	2%	0.023	30%	0.295	C	S	.	.	H	α-helix	trans	-57.7	-47.5	-176.3	178.7	57.7	0	0	0	112.8	D73 V75 R77 C89 L90 T91 W117	D73-H87 WeakPolarHBondContact O-CB 3.47Å; D73-H87 PolarHBondContact O-N 3.29Å; V75-H87 PolarHBondContact O-N 2.9Å; R77-H87 PolarHBondContact NE-ND1 3.13Å; H87-C89 VanDerWaalsContact C-N 3.28Å; H87-C89 PolarHBondContact O-N 2.94Å; H87-L90 PolarHBondContact O-N 3.48Å; H87-T91 PolarHBondContact O-N 2.91Å; H87-T91 PolarHBondContact O-OG1 3.33Å; H87-W117 AromaticContact CD2-CZ2 3.87Å; H87-W117 AromaticContact CE1-CD1 3.8Å; H87-W117 AromaticContact CE1-CD2 3.7Å; H87-W117 AromaticContact CE1-CE2 3.54Å; H87-W117 AromaticContact CE1-CG 3.85Å; H87-W117 AromaticContact CE1-NE1 3.6Å; H87-W117 AromaticContact NE2-CD2 3.63Å; H87-W117 AromaticContact NE2-CE2 3.06Å; H87-W117 AromaticContact NE2-CH2 3.77Å; H87-W117 AromaticContact NE2-CZ2 3.15Å; H87-W117 WeakPolarHBondContact NE2-CZ2 3.33Å; H87-W117 AromaticContact NE2-NE1 3.35Å; H87-W117 PolarHBondContact NE2-NE1 3.5Å
88	D	85.2	Confident	80.9	Confident	25 Å²	25	59.6 Å²	59.6	13%	0.134	32%	0.323	C	S	.	.	H	α-helix	trans	-62.5	-31.5	174.8	168.8	62.4	0	0	0	113.6	D73 K74 C86 T91 R92	D73-D88 HydrophobicContact CB-CB 3.91Å; D73-D88 WeakPolarHBondContact O-CB 3.47Å; D73-D88 PolarHBondContact O-N 2.92Å; K74-D88 IonicContact NZ-OD2 3.31Å; C86-D88 PolarHBondContact O-N 3.1Å; D88-T91 WeakPolarHBondContact CA-OG1 3.33Å; D88-T91 PolarHBondContact O-OG1 2.97Å; D88-R92 VanDerWaalsContact CG-NE 3.33Å; D88-R92 WeakPolarHBondContact O-CD 3.18Å; D88-R92 WeakPolarHBondContact O-CG 3.34Å; D88-R92 PolarHBondContact O-N 2.86Å; D88-R92 IonicContact OD1-CZ 3.54Å; D88-R92 IonicContact OD1-NE 3.67Å; D88-R92 PolarHBondContact OD1-NE 3.36Å; D88-R92 IonicContact OD1-NH2 3.34Å; D88-R92 PolarHBondContact OD1-NH2 2.93Å; D88-R92 IonicContact OD2-CZ 3.79Å; D88-R92 VanDerWaalsContact OD2-CZ 3.28Å; D88-R92 IonicContact OD2-NE 2.75Å; D88-R92 PolarHBondContact OD2-NE 3.29Å; D88-R92 IonicContact OD2-NH2 2.75Å; D88-R92 PolarHBondContact OD2-NH2 3.01Å
89	C	86.8	Confident	80.9	Confident	8 Å²	8	57.5 Å²	57.5	5%	0.054	31%	0.314	C	S	.	.	H	α-helix	trans	-69.3	-41.1	175.3	-52.5	0	0	0	0	110.3	V63 C64 V85 C86 H87 R92 L93	V63-C89 HydrophobicContact CB-CB 4.22Å; V63-C89 HydrophobicContact CG1-CB 4.19Å; C64-C89 PolarHBondContact SG-SG 3.17Å; V85-C89 HydrophobicContact CG1-CB 3.55Å; C86-C89 HydrophobicContact CB-CB 4.07Å; C86-C89 WeakPolarHBondContact CB-SG 3.33Å; C86-C89 VanDerWaalsContact O-CB 3.29Å; C86-C89 WeakPolarHBondContact O-CB 3.39Å; C86-C89 PolarHBondContact O-N 3.34Å; C86-C89 VanDerWaalsContact O-N 3.09Å; C86-C89 WeakPolarHBondContact SG-CB 3.49Å; C86-C89 PolarHBondContact SG-N 3.33Å; C86-C89 CovalentContact SG-SG 2.05Å; C86-C89 PolarHBondContact SG-SG 2.79Å; H87-C89 VanDerWaalsContact C-N 3.28Å; H87-C89 PolarHBondContact O-N 2.94Å; C89-R92 PolarHBondContact O-N 2.92Å; C89-L93 PolarHBondContact O-N 3.27Å
90	L	83.8	Confident	81	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-71.2	-34.7	178.6	-71.4	170	0	0	0	113.1	R77 L79 V85 C86 H87 R92 L93 V100 V116 L119	R77-L90 HydrophobicContact CB-CD1 3.77Å; L79-L90 HydrophobicContact CD1-CD2 4.29Å; L79-L90 HydrophobicContact CD2-CD2 3.95Å; L79-L90 HydrophobicContact CG-CD2 4.33Å; V85-L90 HydrophobicContact CB-CD1 4.22Å; V85-L90 HydrophobicContact CB-CD2 3.78Å; V85-L90 HydrophobicContact CB-CG 3.81Å; V85-L90 HydrophobicContact CG1-CD2 3.81Å; V85-L90 HydrophobicContact CG1-CG 3.71Å; V85-L90 HydrophobicContact CG2-CD2 4.37Å; C86-L90 PolarHBondContact O-N 3.02Å; H87-L90 PolarHBondContact O-N 3.48Å; L90-R92 VanDerWaalsContact C-N 3.26Å; L90-R92 PolarHBondContact O-N 3.32Å; L90-L93 HydrophobicContact CD2-CD1 3.93Å; L90-L93 PolarHBondContact O-N 3.35Å; L90-V100 HydrophobicContact CD2-CG1 4.36Å; L90-V116 HydrophobicContact CB-CG1 3.43Å; L90-V116 VanDerWaalsContact CB-CG1 3.43Å; L90-V116 HydrophobicContact CB-CG2 4.46Å; L90-V116 HydrophobicContact CD1-CG1 4.1Å; L90-V116 HydrophobicContact CG-CG1 4.41Å; L90-L119 HydrophobicContact CD1-CD1 3.95Å
91	T	83.6	Confident	81.3	Confident	70 Å²	70	57.2 Å²	57.2	43%	0.429	30%	0.303	S	S	.	.	H	α-helix	trans	-70.1	-23.3	175.4	53.4	0	0	0	0	112.9	H87 D88 V116	H87-T91 PolarHBondContact O-N 2.91Å; H87-T91 PolarHBondContact O-OG1 3.33Å; D88-T91 WeakPolarHBondContact CA-OG1 3.33Å; D88-T91 PolarHBondContact O-OG1 2.97Å; T91-V116 HydrophobicContact CG2-CB 4.02Å; T91-V116 HydrophobicContact CG2-CG1 4.09Å; T91-V116 HydrophobicContact CG2-CG2 4.21Å
92	R	82.9	Confident	81.5	Confident	187 Å²	187	55.6 Å²	55.6	71%	0.706	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-8	175.3	-66.4	171.3	-165.4	-150.8	6	114.3	D88 C89 L90	D88-R92 VanDerWaalsContact CG-NE 3.33Å; D88-R92 WeakPolarHBondContact O-CD 3.18Å; D88-R92 WeakPolarHBondContact O-CG 3.34Å; D88-R92 PolarHBondContact O-N 2.86Å; D88-R92 IonicContact OD1-CZ 3.54Å; D88-R92 IonicContact OD1-NE 3.67Å; D88-R92 PolarHBondContact OD1-NE 3.36Å; D88-R92 IonicContact OD1-NH2 3.34Å; D88-R92 PolarHBondContact OD1-NH2 2.93Å; D88-R92 IonicContact OD2-CZ 3.79Å; D88-R92 VanDerWaalsContact OD2-CZ 3.28Å; D88-R92 IonicContact OD2-NE 2.75Å; D88-R92 PolarHBondContact OD2-NE 3.29Å; D88-R92 IonicContact OD2-NH2 2.75Å; D88-R92 PolarHBondContact OD2-NH2 3.01Å; C89-R92 PolarHBondContact O-N 2.92Å; L90-R92 VanDerWaalsContact C-N 3.26Å; L90-R92 PolarHBondContact O-N 3.32Å
93	L	82.6	Confident	81.9	Confident	37 Å²	37	55.9 Å²	55.9	19%	0.194	29%	0.285	C	S	.	.	S	Bend	trans	-74.9	143.8	177.3	-71.6	174.7	0	0	0	111.7	C89 L90 L95 V100 P103	C89-L93 PolarHBondContact O-N 3.27Å; L90-L93 HydrophobicContact CD2-CD1 3.93Å; L90-L93 PolarHBondContact O-N 3.35Å; L93-L95 PolarHBondContact O-N 2.95Å; L93-L95 VanDerWaalsContact O-N 3.08Å; L93-V100 HydrophobicContact CB-CG1 4.2Å; L93-V100 HydrophobicContact CD1-CG1 3.68Å; L93-P103 HydrophobicContact CD1-CG 3.81Å; L93-P103 HydrophobicContact CD2-CG 4.13Å
94	P	73.7	Confident	81.9	Confident	93 Å²	93	56.5 Å²	56.5	60%	0.604	29%	0.287	S	S	*	.			trans	-66.1	111.2	-179.7	25.9	-33.7	0	0	0	111.5	H96	P94-H96 PolarHBondContact O-CE1 3.02Å; P94-H96 PolarHBondContact O-N 3.47Å; P94-H96 PolarHBondContact O-ND1 3.12Å
95	L	76.1	Confident	81.8	Confident	106 Å²	106	58.2 Å²	58.2	56%	0.555	30%	0.295	S	S	*	.			trans	-66.4	125	175.8	-72.5	168.1	0	0	0	111.1	L93 V100 L111	L93-L95 PolarHBondContact O-N 2.95Å; L93-L95 VanDerWaalsContact O-N 3.08Å; L95-V100 HydrophobicContact CD2-CG2 3.59Å; L95-L111 HydrophobicContact CD2-CD1 3.7Å
96	H	68.5	Low	81.6	Confident	100 Å²	100	67.9 Å²	67.9	46%	0.463	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-101.4	77.5	173.8	-69.7	64	0	0	0	108	P94 A99	P94-H96 PolarHBondContact O-CE1 3.02Å; P94-H96 PolarHBondContact O-N 3.47Å; P94-H96 PolarHBondContact O-ND1 3.12Å; H96-A99 PolarHBondContact N-O 3.35Å; H96-A99 PolarHBondContact O-N 3.25Å
97	G	73.6	Confident	81.4	Confident	67 Å²	67	72.8 Å²	72.8	69%	0.691	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	-127.5	-168.6	0	0	0	0	0	111.1	A99	G97-A99 VanDerWaalsContact C-N 3.27Å; G97-A99 PolarHBondContact O-N 3.19Å
98	R	78.1	Confident	81.4	Confident	170 Å²	170	75.8 Å²	75.8	64%	0.642	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	22.2	175.5	-72.3	-173.6	169.5	-138.8	-5.7	113.7	L111 D113	R98-L111 WeakPolarHBondContact O-CB 3.42Å; R98-L111 PolarHBondContact O-N 3.12Å; R98-D113 IonicContact CZ-OD1 3.22Å; R98-D113 IonicContact NH1-OD1 2.66Å; R98-D113 PolarHBondContact NH1-OD1 3.45Å; R98-D113 IonicContact NH2-OD1 2.65Å; R98-D113 PolarHBondContact NH2-OD1 3.21Å
99	A	80.8	Confident	81.3	Confident	11 Å²	11	74.8 Å²	74.8	9%	0.091	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	148.2	-175.7	0	0	0	0	0	114.4	H96 G97 V108 T109	H96-A99 PolarHBondContact N-O 3.35Å; H96-A99 PolarHBondContact O-N 3.25Å; G97-A99 VanDerWaalsContact C-N 3.27Å; G97-A99 PolarHBondContact O-N 3.19Å; A99-V108 HydrophobicContact CB-CG1 3.54Å; A99-T109 WeakPolarHBondContact CA-O 3.47Å
100	V	84.9	Confident	81.1	Confident	0 Å²	0	82 Å²	82	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	141.8	174	172.1	0	0	0	0	109	L90 L93 L95 T109 L111	L90-V100 HydrophobicContact CD2-CG1 4.36Å; L93-V100 HydrophobicContact CB-CG1 4.2Å; L93-V100 HydrophobicContact CD1-CG1 3.68Å; L95-V100 HydrophobicContact CD2-CG2 3.59Å; V100-T109 PolarHBondContact N-O 3.13Å; V100-T109 PolarHBondContact O-N 3.14Å; V100-L111 HydrophobicContact CG2-CD1 3.75Å; V100-L111 HydrophobicContact CG2-CG 4.29Å
101	R	85.4	Confident	80.8	Confident	131 Å²	131	82.7 Å²	82.7	49%	0.494	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	134.5	170.8	-66.8	-176	179.7	-175.3	-0.9	109.9	V108	R101-V108 HydrophobicContact CG-CG2 4.24Å
102	C	84.2	Confident	80.2	Confident	3 Å²	3	81.6 Å²	81.6	2%	0.02	41%	0.407	C	S	.	.			trans	-58.2	132.5	173.6	177.9	0	0	0	0	111.3	L79 F104 D105 R106 Q107	L79-C102 HydrophobicContact CD1-CB 3.81Å; C102-F104 PolarHBondContact O-N 2.66Å; C102-F104 PolarHBondContact SG-N 2.76Å; C102-F104 VanDerWaalsContact SG-N 3.4Å; C102-D105 WeakPolarHBondContact CB-OD1 3.35Å; C102-D105 PolarHBondContact SG-OD1 2.86Å; C102-D105 VanDerWaalsContact SG-OD1 3.34Å; C102-D105 PolarHBondContact SG-OD2 3.41Å; C102-R106 WeakPolarHBondContact O-CA 3.25Å; C102-R106 PolarHBondContact O-N 2.84Å; C102-Q107 PolarHBondContact N-O 3.22Å
103	P	82.9	Confident	79.3	Confident	55 Å²	55	79.3 Å²	79.3	36%	0.357	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-29.2	176.4	-25.3	36	0	0	0	114.2	V63 L93	V63-P103 HydrophobicContact CG2-CB 4.22Å; V63-P103 HydrophobicContact CG2-CG 3.89Å; L93-P103 HydrophobicContact CD1-CG 3.81Å; L93-P103 HydrophobicContact CD2-CG 4.13Å
104	F	82.8	Confident	78.6	Confident	89 Å²	89	81 Å²	81	39%	0.39	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-47	-169.3	-48.9	-69.4	0	0	0	113.1	G62 V63 H83 V85 C102	G62-F104 WeakPolarHBondContact O-CE1 3.45Å; V63-F104 HydrophobicContact CG2-CZ 3.92Å; H83-F104 HydrophobicContact CB-CD2 3.79Å; H83-F104 HydrophobicContact CB-CE2 4.22Å; H83-F104 AromaticContact CD2-CD2 3.5Å; H83-F104 VanDerWaalsContact CD2-CD2 3.5Å; H83-F104 WeakPolarHBondContact CD2-CD2 3.24Å; H83-F104 AromaticContact CD2-CG 3.93Å; H83-F104 AromaticContact CG-CD2 3.61Å; V85-F104 HydrophobicContact CG2-CE2 3.72Å; V85-F104 HydrophobicContact CG2-CZ 4.43Å; C102-F104 PolarHBondContact O-N 2.66Å; C102-F104 PolarHBondContact SG-N 2.76Å; C102-F104 VanDerWaalsContact SG-N 3.4Å
105	D	84.7	Confident	78.8	Confident	65 Å²	65	77.7 Å²	77.7	35%	0.348	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-5.6	-175.2	59.6	46.3	0	0	0	114.1	C81 H83 C102 Q107	C81-D105 WeakPolarHBondContact CB-OD2 3.14Å; C81-D105 PolarHBondContact SG-OD2 3.1Å; H83-D105 IonicContact CE1-OD2 3.49Å; H83-D105 PolarHBondContact CE1-OD2 2.57Å; H83-D105 IonicContact CG-OD2 2.86Å; H83-D105 IonicContact ND1-OD2 3.55Å; H83-D105 PolarHBondContact ND1-OD2 2.92Å; C102-D105 WeakPolarHBondContact CB-OD1 3.35Å; C102-D105 PolarHBondContact SG-OD1 2.86Å; C102-D105 VanDerWaalsContact SG-OD1 3.34Å; C102-D105 PolarHBondContact SG-OD2 3.41Å; D105-Q107 PolarHBondContact O-N 2.97Å; D105-Q107 WeakPolarHBondContact OD1-CB 3.43Å; D105-Q107 PolarHBondContact OD1-N 2.79Å
106	R	82.9	Confident	78.7	Confident	203 Å²	203	73.2 Å²	73.2	77%	0.766	38%	0.384	S	S	*	.			trans	63.3	9.1	-178.1	-51.8	177.1	179.9	178.9	-0.5	115.8	C102	C102-R106 WeakPolarHBondContact O-CA 3.25Å; C102-R106 PolarHBondContact O-N 2.84Å
107	Q	83.2	Confident	79	Confident	102 Å²	102	76.3 Å²	76.3	48%	0.477	39%	0.391	S	S	.	.			trans	-61.8	140.3	174.4	-162.6	175	51	0	0	110.4	C81 C102 D105	C81-Q107 VanDerWaalsContact CA-OE1 3.23Å; C81-Q107 HydrophobicContact CB-CB 4.25Å; C102-Q107 PolarHBondContact N-O 3.22Å; D105-Q107 PolarHBondContact O-N 2.97Å; D105-Q107 WeakPolarHBondContact OD1-CB 3.43Å; D105-Q107 PolarHBondContact OD1-N 2.79Å
108	V	83.4	Confident	78.7	Confident	69 Å²	69	75.2 Å²	75.2	42%	0.418	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.2	-177.1	-175.6	0	0	0	0	109.2	A99 R101	A99-V108 HydrophobicContact CB-CG1 3.54Å; R101-V108 HydrophobicContact CG-CG2 4.24Å
109	T	83.2	Confident	78.5	Confident	3 Å²	3	68 Å²	68	2%	0.018	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	117	170.2	-64.3	0	0	0	0	108.9	L79 L80 A99 V100 L119	L79-T109 HydrophobicContact CD2-CG2 4.14Å; L80-T109 HydrophobicContact CD1-CG2 4.4Å; L80-T109 HydrophobicContact CG-CG2 4.08Å; L80-T109 PolarHBondContact N-OG1 3.48Å; A99-T109 WeakPolarHBondContact CA-O 3.47Å; V100-T109 PolarHBondContact N-O 3.13Å; V100-T109 PolarHBondContact O-N 3.14Å; T109-L119 HydrophobicContact CG2-CD2 3.57Å
110	E	81.7	Confident	78.1	Confident	159 Å²	159	75.5 Å²	75.5	74%	0.743	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	141.1	174.7	-62.7	-172.2	170.7	0	0	110.9
111	L	77.9	Confident	77.8	Confident	16 Å²	16	79.2 Å²	79.2	8%	0.084	40%	0.401	C	S	.	.			trans	-108.2	133.4	178.2	-57.6	-179	0	0	0	109.9	L95 R98 V100 V116 L119	L95-L111 HydrophobicContact CD2-CD1 3.7Å; R98-L111 WeakPolarHBondContact O-CB 3.42Å; R98-L111 PolarHBondContact O-N 3.12Å; V100-L111 HydrophobicContact CG2-CD1 3.75Å; V100-L111 HydrophobicContact CG2-CG 4.29Å; L111-V116 HydrophobicContact CD1-CG2 3.95Å; L111-L119 HydrophobicContact CD2-CD1 3.86Å; L111-L119 HydrophobicContact CD2-CD2 3.83Å; L111-L119 HydrophobicContact CD2-CG 3.75Å
112	G	70.6	Confident	77.3	Confident	47 Å²	47	74.3 Å²	74.3	49%	0.485	38%	0.384	S	S	.	.			trans	-71.5	-174.8	169.2	0	0	0	0	0	112.6	S114 G115	G112-S114 PolarHBondContact O-N 3.1Å; G112-G115 PolarHBondContact O-N 2.92Å
113	D	65.1	Low	76.6	Confident	140 Å²	140	80.9 Å²	80.9	75%	0.749	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.8	-175.8	-58.5	-65.5	0	0	0	114.5	R98 G115	R98-D113 IonicContact CZ-OD1 3.22Å; R98-D113 IonicContact NH1-OD1 2.66Å; R98-D113 PolarHBondContact NH1-OD1 3.45Å; R98-D113 IonicContact NH2-OD1 2.65Å; R98-D113 PolarHBondContact NH2-OD1 3.21Å; D113-G115 VanDerWaalsContact C-N 3.34Å
114	S	66.8	Low	75.6	Confident	72 Å²	72	81.6 Å²	81.6	50%	0.503	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	3.9	171.8	53	0	0	0	0	114.4	G112 W117 G118	G112-S114 PolarHBondContact O-N 3.1Å; S114-W117 WeakPolarHBondContact O-CB 3.31Å; S114-W117 PolarHBondContact O-N 2.93Å; S114-G118 VanDerWaalsContact OG-CA 3.27Å; S114-G118 WeakPolarHBondContact OG-CA 3.38Å; S114-G118 PolarHBondContact OG-N 3.2Å
115	G	77.3	Confident	74.9	Confident	24 Å²	24	78 Å²	78	25%	0.247	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	59.9	-141.1	177.9	0	0	0	0	0	112.9	G112 D113 W117 G118	G112-G115 PolarHBondContact O-N 2.92Å; D113-G115 VanDerWaalsContact C-N 3.34Å; G115-W117 PolarHBondContact O-N 3.32Å; G115-W117 VanDerWaalsContact O-N 3.16Å; G115-G118 PolarHBondContact O-N 2.92Å
116	V	74.8	Confident	74	Confident	12 Å²	12	75.7 Å²	75.7	7%	0.073	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-60.1	-24.7	178.8	-177.9	0	0	0	0	112.3	L90 T91 L111 G118 L119	L90-V116 HydrophobicContact CB-CG1 3.43Å; L90-V116 VanDerWaalsContact CB-CG1 3.43Å; L90-V116 HydrophobicContact CB-CG2 4.46Å; L90-V116 HydrophobicContact CD1-CG1 4.1Å; L90-V116 HydrophobicContact CG-CG1 4.41Å; T91-V116 HydrophobicContact CG2-CB 4.02Å; T91-V116 HydrophobicContact CG2-CG1 4.09Å; T91-V116 HydrophobicContact CG2-CG2 4.21Å; L111-V116 HydrophobicContact CD1-CG2 3.95Å; V116-G118 PolarHBondContact O-N 3.28Å; V116-L119 HydrophobicContact CG1-CD1 4.35Å; V116-L119 PolarHBondContact O-N 2.86Å
117	W	74.4	Confident	73.1	Confident	165 Å²	165	70.4 Å²	70.4	63%	0.625	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-67.2	-24	176	-69.4	88.4	0	0	0	113.2	R77 H87 S114 G115 L119	R77-W117 PolarHBondContact NH1-O 3.33Å; H87-W117 AromaticContact CD2-CZ2 3.87Å; H87-W117 AromaticContact CE1-CD1 3.8Å; H87-W117 AromaticContact CE1-CD2 3.7Å; H87-W117 AromaticContact CE1-CE2 3.54Å; H87-W117 AromaticContact CE1-CG 3.85Å; H87-W117 AromaticContact CE1-NE1 3.6Å; H87-W117 AromaticContact NE2-CD2 3.63Å; H87-W117 AromaticContact NE2-CE2 3.06Å; H87-W117 AromaticContact NE2-CH2 3.77Å; H87-W117 AromaticContact NE2-CZ2 3.15Å; H87-W117 WeakPolarHBondContact NE2-CZ2 3.33Å; H87-W117 AromaticContact NE2-NE1 3.35Å; H87-W117 PolarHBondContact NE2-NE1 3.5Å; S114-W117 WeakPolarHBondContact O-CB 3.31Å; S114-W117 PolarHBondContact O-N 2.93Å; G115-W117 PolarHBondContact O-N 3.32Å; G115-W117 VanDerWaalsContact O-N 3.16Å; W117-L119 VanDerWaalsContact C-N 3.34Å
118	G	66.9	Low	72.2	Confident	43 Å²	43	69.2 Å²	69.2	44%	0.443	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-76.4	-12.7	175.9	0	0	0	0	0	115.1	S114 G115 V116	S114-G118 VanDerWaalsContact OG-CA 3.27Å; S114-G118 WeakPolarHBondContact OG-CA 3.38Å; S114-G118 PolarHBondContact OG-N 3.2Å; G115-G118 PolarHBondContact O-N 2.92Å; V116-G118 PolarHBondContact O-N 3.28Å
119	L	73.8	Confident	71.4	Confident	19 Å²	19	66.4 Å²	66.4	10%	0.099	36%	0.359	C	S	.	.	S	Bend	trans	-71.1	132.6	176.7	-66.6	176.1	0	0	0	111.1	R77 L79 L90 T109 L111 V116 W117 K121	R77-L119 HydrophobicContact CB-CB 4.29Å; R77-L119 PolarHBondContact NH1-O 3.29Å; L79-L119 HydrophobicContact CD2-CD1 4.13Å; L90-L119 HydrophobicContact CD1-CD1 3.95Å; T109-L119 HydrophobicContact CG2-CD2 3.57Å; L111-L119 HydrophobicContact CD2-CD1 3.86Å; L111-L119 HydrophobicContact CD2-CD2 3.83Å; L111-L119 HydrophobicContact CD2-CG 3.75Å; V116-L119 HydrophobicContact CG1-CD1 4.35Å; V116-L119 PolarHBondContact O-N 2.86Å; W117-L119 VanDerWaalsContact C-N 3.34Å; L119-K121 PolarHBondContact O-N 3.36Å
120	K	72.6	Confident	70.4	Confident	168 Å²	168	71 Å²	71	73%	0.73	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-57.4	135.4	-179.8	-69.4	-174.2	177.2	-177.9	0	110.8	R77 L78	R77-K120 WeakPolarHBondContact CA-O 3.37Å; L78-K120 PolarHBondContact N-O 3.46Å
121	K	79.9	Confident	69.3	Low	79 Å²	79	70.9 Å²	70.9	34%	0.343	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-65.1	147.8	169.2	-61.4	-175.3	-179.6	-175.8	0	109.7	V75 P76 L119 F123 L126	V75-K121 HydrophobicContact CG1-CD 3.96Å; V75-K121 HydrophobicContact CG1-CG 3.93Å; P76-K121 WeakPolarHBondContact O-CA 3.38Å; L119-K121 PolarHBondContact O-N 3.36Å; K121-F123 VanDerWaalsContact C-N 3.33Å; K121-F123 HydrophobicContact CB-CD2 4.28Å; K121-F123 HydrophobicContact CB-CE1 4.33Å; K121-F123 HydrophobicContact CB-CE2 3.99Å; K121-F123 HydrophobicContact CB-CZ 4.02Å; K121-F123 HydrophobicContact CD-CE1 4.33Å; K121-F123 HydrophobicContact CD-CZ 4.35Å; K121-F123 HydrophobicContact CG-CZ 4.48Å; K121-F123 VanDerWaalsContact O-CD2 3.26Å; K121-F123 WeakPolarHBondContact O-CD2 3.49Å; K121-F123 PolarHBondContact O-N 3.32Å; K121-L126 HydrophobicContact CB-CD1 3.78Å; K121-L126 HydrophobicContact CD-CD1 3.87Å; K121-L126 HydrophobicContact CG-CD1 4.4Å
122	N	73.9	Confident	68.4	Low	28 Å²	28	74.9 Å²	74.9	15%	0.15	39%	0.394	C	S	.	.			trans	-79.3	85.2	168.7	-170.3	-20.3	0	0	0	109.3	P76 L78 T84 A124 L125 L126	P76-N122 HydrophobicContact CB-CB 4.09Å; P76-N122 HydrophobicContact CG-CB 4.37Å; P76-N122 PolarHBondContact O-N 2.91Å; L78-N122 HydrophobicContact CD1-CB 4.23Å; L78-N122 HydrophobicContact CD2-CB 4.23Å; L78-N122 HydrophobicContact CG-CB 3.94Å; T84-N122 HydrophobicContact CG2-CB 4.04Å; T84-N122 PolarHBondContact OG1-ND2 3.47Å; N122-A124 VanDerWaalsContact C-N 3.3Å; N122-A124 PolarHBondContact O-N 2.96Å; N122-A124 PolarHBondContact OD1-N 3.13Å; N122-L125 HydrophobicContact CB-CB 4.08Å; N122-L125 PolarHBondContact O-N 3.23Å; N122-L125 PolarHBondContact OD1-N 2.94Å; N122-L126 WeakPolarHBondContact O-CG 3.48Å; N122-L126 PolarHBondContact O-N 3.48Å
123	F	68.9	Low	67.9	Low	140 Å²	140	78.3 Å²	78.3	61%	0.614	40%	0.397	S	S	*	.	H	α-helix	trans	-62.5	-32.5	-176.1	-70.2	-80.1	0	0	0	113.6	K121 L126 E127	K121-F123 VanDerWaalsContact C-N 3.33Å; K121-F123 HydrophobicContact CB-CD2 4.28Å; K121-F123 HydrophobicContact CB-CE1 4.33Å; K121-F123 HydrophobicContact CB-CE2 3.99Å; K121-F123 HydrophobicContact CB-CZ 4.02Å; K121-F123 HydrophobicContact CD-CE1 4.33Å; K121-F123 HydrophobicContact CD-CZ 4.35Å; K121-F123 HydrophobicContact CG-CZ 4.48Å; K121-F123 VanDerWaalsContact O-CD2 3.26Å; K121-F123 WeakPolarHBondContact O-CD2 3.49Å; K121-F123 PolarHBondContact O-N 3.32Å; F123-L126 HydrophobicContact CD1-CD1 4.33Å; F123-L126 PolarHBondContact O-N 3.4Å; F123-E127 WeakPolarHBondContact O-CB 3.47Å; F123-E127 PolarHBondContact O-N 3.32Å
124	A	61.8	Low	67.2	Low	71 Å²	71	76.8 Å²	76.8	59%	0.587	39%	0.389	S	S	*	.	H	α-helix	trans	-66.3	-38.2	175.7	0	0	0	0	0	112.1	N122 L128	N122-A124 VanDerWaalsContact C-N 3.3Å; N122-A124 PolarHBondContact O-N 2.96Å; N122-A124 PolarHBondContact OD1-N 3.13Å; A124-L128 WeakPolarHBondContact O-CB 3.46Å; A124-L128 PolarHBondContact O-N 3.44Å; A124-L128 VanDerWaalsContact O-N 3.07Å
125	L	68.1	Low	66.1	Low	13 Å²	13	75.8 Å²	75.8	7%	0.068	39%	0.39	C	S	.	.	H	α-helix	trans	-72.9	-35.2	175.6	-164.4	65.7	0	0	0	111.9	V58 L59 F68 P76 T84 N122 L128 L129	V58-L125 HydrophobicContact CG1-CD1 4.18Å; L59-L125 HydrophobicContact CD2-CD1 4.04Å; F68-L125 HydrophobicContact CD2-CD2 3.48Å; F68-L125 VanDerWaalsContact CD2-CD2 3.48Å; F68-L125 HydrophobicContact CE2-CD2 3.65Å; F68-L125 HydrophobicContact CG-CD2 4.17Å; F68-L125 HydrophobicContact CZ-CD2 4.44Å; P76-L125 HydrophobicContact CB-CD2 3.89Å; P76-L125 HydrophobicContact CG-CB 4.47Å; P76-L125 HydrophobicContact CG-CD2 4.16Å; T84-L125 HydrophobicContact CG2-CD2 4.1Å; N122-L125 HydrophobicContact CB-CB 4.08Å; N122-L125 PolarHBondContact O-N 3.23Å; N122-L125 PolarHBondContact OD1-N 2.94Å; L125-L128 HydrophobicContact CD1-CD2 4.36Å; L125-L128 PolarHBondContact O-N 3.37Å; L125-L129 HydrophobicContact CG-CD1 4.47Å; L125-L129 WeakPolarHBondContact O-CD1 3.03Å; L125-L129 VanDerWaalsContact O-CG 3.24Å; L125-L129 WeakPolarHBondContact O-CG 3.43Å; L125-L129 PolarHBondContact O-N 3.08Å
126	L	66.9	Low	64.4	Low	16 Å²	16	79.1 Å²	79.1	8%	0.084	42%	0.416	C	S	.	.	H	α-helix	trans	-63.4	-45.3	172.8	-72.5	168.7	0	0	0	111.8	L70 P76 K121 N122 F123 L128 L129 E130	L70-L126 HydrophobicContact CD2-CB 4.39Å; L70-L126 HydrophobicContact CD2-CD2 3.91Å; L70-L126 VanDerWaalsContact CD2-O 3.3Å; L70-L126 WeakPolarHBondContact CD2-O 3.12Å; P76-L126 HydrophobicContact CG-CD2 4.02Å; P76-L126 HydrophobicContact CG-CG 3.99Å; K121-L126 HydrophobicContact CB-CD1 3.78Å; K121-L126 HydrophobicContact CD-CD1 3.87Å; K121-L126 HydrophobicContact CG-CD1 4.4Å; N122-L126 WeakPolarHBondContact O-CG 3.48Å; N122-L126 PolarHBondContact O-N 3.48Å; F123-L126 HydrophobicContact CD1-CD1 4.33Å; F123-L126 PolarHBondContact O-N 3.4Å; L126-L128 VanDerWaalsContact C-N 3.32Å; L126-L128 PolarHBondContact O-N 3.26Å; L126-L129 PolarHBondContact O-N 3.4Å; L126-E130 WeakPolarHBondContact O-CB 3.3Å; L126-E130 PolarHBondContact O-N 3.38Å
127	E	63.7	Low	62.8	Low	93 Å²	93	82.9 Å²	82.9	44%	0.435	44%	0.442	S	S	.	.	H	α-helix	trans	-63.5	-37.8	176.2	-169.8	-176.7	166.5	0	0	111.7	F123 E130 R131	F123-E127 WeakPolarHBondContact O-CB 3.47Å; F123-E127 PolarHBondContact O-N 3.32Å; E127-E130 PolarHBondContact O-N 3.12Å; E127-R131 WeakPolarHBondContact O-CB 3.3Å; E127-R131 VanDerWaalsContact O-CG 3.25Å; E127-R131 WeakPolarHBondContact O-CG 3.46Å; E127-R131 PolarHBondContact O-N 3.45Å; E127-R131 IonicContact OE1-CZ 2.66Å; E127-R131 VanDerWaalsContact OE1-CZ 3.31Å; E127-R131 IonicContact OE1-NE 3.14Å; E127-R131 PolarHBondContact OE1-NE 2.97Å; E127-R131 IonicContact OE1-NH2 3.51Å; E127-R131 PolarHBondContact OE1-NH2 3.14Å
128	L	64.5	Low	60.7	Low	77 Å²	77	82.5 Å²	82.5	40%	0.403	45%	0.453	S	S	.	.	H	α-helix	trans	-64	-43.3	173.5	-176.9	62.6	0	0	0	112.1	L59 A124 L125 L126 R131 L132	L59-L128 HydrophobicContact CD2-CD2 3.89Å; L59-L128 HydrophobicContact CD2-CG 4.32Å; A124-L128 WeakPolarHBondContact O-CB 3.46Å; A124-L128 PolarHBondContact O-N 3.44Å; A124-L128 VanDerWaalsContact O-N 3.07Å; L125-L128 HydrophobicContact CD1-CD2 4.36Å; L125-L128 PolarHBondContact O-N 3.37Å; L126-L128 VanDerWaalsContact C-N 3.32Å; L126-L128 PolarHBondContact O-N 3.26Å; L128-R131 PolarHBondContact O-N 3.34Å; L128-L132 HydrophobicContact CD1-CD1 4.49Å; L128-L132 HydrophobicContact CG-CD1 4.23Å; L128-L132 WeakPolarHBondContact O-CB 3.46Å; L128-L132 VanDerWaalsContact O-CG 3.29Å; L128-L132 WeakPolarHBondContact O-CG 3.47Å; L128-L132 PolarHBondContact O-N 2.76Å
129	L	66.5	Low	59.3	Low	9 Å²	9	89.6 Å²	89.6	5%	0.047	47%	0.474	C	S	.	.	H	α-helix	trans	-63.9	-40.2	175.6	-71.4	161.2	0	0	0	111.7	L59 F68 L70 L125 L126 L132 Q133	L59-L129 HydrophobicContact CD2-CD2 4.05Å; L59-L129 HydrophobicContact CD2-CG 4.44Å; F68-L129 HydrophobicContact CB-CD1 3.71Å; L70-L129 HydrophobicContact CD2-CB 3.86Å; L125-L129 HydrophobicContact CG-CD1 4.47Å; L125-L129 WeakPolarHBondContact O-CD1 3.03Å; L125-L129 VanDerWaalsContact O-CG 3.24Å; L125-L129 WeakPolarHBondContact O-CG 3.43Å; L125-L129 PolarHBondContact O-N 3.08Å; L126-L129 PolarHBondContact O-N 3.4Å; L129-L132 PolarHBondContact O-N 3.44Å; L129-Q133 WeakPolarHBondContact O-CG 3.47Å; L129-Q133 PolarHBondContact O-N 3.03Å
130	E	61.3	Low	57.3	Low	100 Å²	100	94.7 Å²	94.7	47%	0.467	51%	0.511	S	S	.	.	H	α-helix	trans	-67.5	-41.9	177.7	-173.3	164.9	-150.1	0	0	111.6	L70 L126 E127 L132 Q133 N134	L70-E130 HydrophobicContact CD1-CB 4.29Å; L70-E130 HydrophobicContact CD2-CB 4.1Å; L126-E130 WeakPolarHBondContact O-CB 3.3Å; L126-E130 PolarHBondContact O-N 3.38Å; E127-E130 PolarHBondContact O-N 3.12Å; E130-L132 VanDerWaalsContact C-N 3.34Å; E130-L132 PolarHBondContact O-N 3.29Å; E130-Q133 PolarHBondContact O-N 3.23Å; E130-N134 WeakPolarHBondContact O-CB 3.24Å; E130-N134 VanDerWaalsContact O-CG 3.29Å; E130-N134 PolarHBondContact O-N 3.3Å; E130-N134 PolarHBondContact O-ND2 3.25Å
131	R	58.8	Low	55.3	Low	157 Å²	157	90 Å²	90	59%	0.592	51%	0.511	S	S	*	.	H	α-helix	trans	-62.9	-36.8	171.7	-72.4	173.1	-176.5	-143.7	5.6	112.4	E127 L128 G135	E127-R131 WeakPolarHBondContact O-CB 3.3Å; E127-R131 VanDerWaalsContact O-CG 3.25Å; E127-R131 WeakPolarHBondContact O-CG 3.46Å; E127-R131 PolarHBondContact O-N 3.45Å; E127-R131 IonicContact OE1-CZ 2.66Å; E127-R131 VanDerWaalsContact OE1-CZ 3.31Å; E127-R131 IonicContact OE1-NE 3.14Å; E127-R131 PolarHBondContact OE1-NE 2.97Å; E127-R131 IonicContact OE1-NH2 3.51Å; E127-R131 PolarHBondContact OE1-NH2 3.14Å; L128-R131 PolarHBondContact O-N 3.34Å; R131-G135 WeakPolarHBondContact O-CA 3.17Å; R131-G135 PolarHBondContact O-N 3.31Å
132	L	60.3	Low	52.9	Low	99 Å²	99	94.9 Å²	94.9	52%	0.518	54%	0.537	S	S	.	.	H	α-helix	trans	-72.1	-35.2	176.2	-73.9	168.4	0	0	0	112.7	L59 L128 L129 E130	L59-L132 HydrophobicContact CD1-CD1 3.59Å; L59-L132 HydrophobicContact CD2-CD1 4.28Å; L128-L132 HydrophobicContact CD1-CD1 4.49Å; L128-L132 HydrophobicContact CG-CD1 4.23Å; L128-L132 WeakPolarHBondContact O-CB 3.46Å; L128-L132 VanDerWaalsContact O-CG 3.29Å; L128-L132 WeakPolarHBondContact O-CG 3.47Å; L128-L132 PolarHBondContact O-N 2.76Å; L129-L132 PolarHBondContact O-N 3.44Å; E130-L132 VanDerWaalsContact C-N 3.34Å; E130-L132 PolarHBondContact O-N 3.29Å
133	Q	59.4	Low	50.9	Low	119 Å²	119	98.4 Å²	98.4	56%	0.556	57%	0.57	S	S	*	*	H	α-helix	trans	-71.2	-41.5	174.2	-73.2	-179.6	4.2	0	0	112	L70 L129 E130	L70-Q133 VanDerWaalsContact CD1-OE1 3.27Å; L129-Q133 WeakPolarHBondContact O-CG 3.47Å; L129-Q133 PolarHBondContact O-N 3.03Å; E130-Q133 PolarHBondContact O-N 3.23Å
134	N	49.5	Very low	49.2	Very low	108 Å²	108	100.7 Å²	100.7	58%	0.578	58%	0.583	S	S	*	*	H	α-helix	trans	-77.9	-21.3	178.4	-66.4	-23.2	0	0	0	113.1	E130 A136	E130-N134 WeakPolarHBondContact O-CB 3.24Å; E130-N134 VanDerWaalsContact O-CG 3.29Å; E130-N134 PolarHBondContact O-N 3.3Å; E130-N134 PolarHBondContact O-ND2 3.25Å; N134-A136 PolarHBondContact O-N 2.89Å
135	G	44.9	Very low	47.7	Very low	52 Å²	52	104.1 Å²	104.1	54%	0.536	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-71.6	-8.2	179	0	0	0	0	0	115.4	R131 S137	R131-G135 WeakPolarHBondContact O-CA 3.17Å; R131-G135 PolarHBondContact O-N 3.31Å; G135-S137 PolarHBondContact O-N 3.41Å
136	A	40.6	Very low	46.1	Very low	94 Å²	94	107.5 Å²	107.5	78%	0.777	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-73.8	-9.1	177.2	0	0	0	0	0	113.9	N134	N134-A136 PolarHBondContact O-N 2.89Å
137	S	41	Very low	44.5	Very low	90 Å²	90	114.8 Å²	114.8	63%	0.629	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-138.8	54.6	-177.1	64.5	0	0	0	0	113.9	G135	G135-S137 PolarHBondContact O-N 3.41Å
138	N	31.1	Very low	43	Very low	158 Å²	158	119.8 Å²	119.8	85%	0.845	68%	0.68	S	S	*	*			trans	179.4	111.7	143.1	-94.6	-20.8	0	0	0	110.9
139	Q	36.6	Very low	41.4	Very low	192 Å²	192	118.9 Å²	118.9	90%	0.897	69%	0.689	S	S	*	*			trans	-94.4	109.5	164.1	-71.8	-173.3	3.7	0	0	109.8
140	S	31.9	Very low	39.6	Very low	125 Å²	125	127.9 Å²	127.9	87%	0.874	73%	0.734	S	S	*	*			trans	172	128	137.8	43.9	0	0	0	0	112.5
141	G	32.2	Very low	38.5	Very low	71 Å²	71	126.7 Å²	126.7	73%	0.732	75%	0.748	S	S	*	*			trans	90.2	153.9	161.3	0	0	0	0	0	117.3
142	M	27.7	Very low	37.5	Very low	180 Å²	180	127.5 Å²	127.5	89%	0.887	76%	0.758	S	S	*	*			trans	73.2	64	172.1	-52.3	-64.7	93	0	0	116.8
143	A	33.6	Very low	36.6	Very low	103 Å²	103	128.4 Å²	128.4	85%	0.851	77%	0.771	S	S	*	*			trans	-110.5	44.7	166.9	0	0	0	0	0	112.9
144	E	33	Very low	36.7	Very low	187 Å²	187	128.4 Å²	128.4	87%	0.874	77%	0.774	S	S	*	*	S	Bend	trans	-131.3	-20.2	175.9	-72.7	-163.5	137.7	0	0	116.3
145	D	29.4	Very low	37.7	Very low	143 Å²	143	125.9 Å²	125.9	77%	0.765	76%	0.76	S	S	*	*	S	Bend	trans	-95.9	-0.8	-174.7	-94	-40.5	0	0	0	116	L147	D145-L147 VanDerWaalsContact C-N 3.32Å; D145-L147 PolarHBondContact O-N 3.37Å
146	A	34.8	Very low	39.3	Very low	85 Å²	85	130.5 Å²	130.5	70%	0.702	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-1.8	-170.1	0	0	0	0	0	116.1
147	L	34.2	Very low	41.2	Very low	169 Å²	169	126.2 Å²	126.2	89%	0.885	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	6.3	-171.3	-117.8	80	0	0	0	116.5	D145	D145-L147 VanDerWaalsContact C-N 3.32Å; D145-L147 PolarHBondContact O-N 3.37Å
148	K	30.8	Very low	42.8	Very low	197 Å²	197	125.9 Å²	125.9	86%	0.857	72%	0.717	S	S	*	*	S	Bend	trans	-97.7	-2.6	175.9	-82.5	177.3	177.4	167.1	0	115.3
149	G	30.6	Very low	44.9	Very low	59 Å²	59	123.6 Å²	123.6	61%	0.608	70%	0.701	S	S	*	*			trans	-97.7	5.3	-164.8	0	0	0	0	0	118.7
150	M	30.3	Very low	46.3	Very low	198 Å²	198	117.5 Å²	117.5	98%	0.975	68%	0.675	S	S	*	*	S	Bend	trans	-95.1	14.7	-176.3	-64.2	-167.1	79.7	0	0	114.8
151	G	36.7	Very low	48.1	Very low	74 Å²	74	118.9 Å²	118.9	76%	0.763	67%	0.667	S	S	*	*	S	Bend	trans	-105.8	-13.5	-172.1	0	0	0	0	0	116.7
152	E	39.4	Very low	49.7	Very low	175 Å²	175	120 Å²	120	82%	0.818	66%	0.664	S	S	*	*	S	Bend	trans	-123.9	138	-173.4	-67.8	-173.9	157.1	0	0	111.7	I154	E152-I154 PolarHBondContact O-N 3.15Å; E152-I154 VanDerWaalsContact O-N 3.08Å
153	C	40	Very low	51.9	Low	117 Å²	117	114.5 Å²	114.5	79%	0.791	64%	0.636	S	S	*	*			trans	-69.6	105.2	174.1	-171.1	0	0	0	0	108.2	I155	C153-I155 VanDerWaalsContact C-N 3.32Å; C153-I155 PolarHBondContact O-N 3.02Å
154	I	62.8	Low	53.9	Low	120 Å²	120	113.7 Å²	113.7	62%	0.615	62%	0.62	S	S	*	*			trans	-69.1	87.7	-176.5	-52.9	176.5	0	0	0	109.6	E152 T164	E152-I154 PolarHBondContact O-N 3.15Å; E152-I154 VanDerWaalsContact O-N 3.08Å; I154-T164 HydrophobicContact CG2-CG2 3.95Å
155	I	70.9	Confident	56	Low	54 Å²	54	105 Å²	105	28%	0.277	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-75.7	124.2	170.5	-60	-175.5	0	0	0	107.2	C153 A165 H175 L198	C153-I155 VanDerWaalsContact C-N 3.32Å; C153-I155 PolarHBondContact O-N 3.02Å; I155-A165 HydrophobicContact CG2-CB 4.22Å; I155-A165 WeakPolarHBondContact O-CB 3.5Å; I155-A165 PolarHBondContact O-N 2.69Å; I155-H175 HydrophobicContact CG2-CB 3.83Å; I155-L198 HydrophobicContact CB-CD2 4.04Å; I155-L198 HydrophobicContact CD1-CD1 4.32Å; I155-L198 HydrophobicContact CD1-CD2 4.16Å; I155-L198 HydrophobicContact CG1-CD2 4.41Å
156	R	78.4	Confident	58.4	Low	150 Å²	150	101 Å²	101	57%	0.566	56%	0.564	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76.7	157.1	178	-67.6	-176.9	178.3	-177.8	-5.2	111.1	E161	R156-E161 IonicContact NH1-OE2 3.58Å
157	C	79.9	Confident	60.4	Low	4 Å²	4	99.1 Å²	99.1	3%	0.027	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	130.9	171.5	-176.8	0	0	0	0	110	E159 D160 H163 C177	C157-E159 PolarHBondContact O-N 3.07Å; C157-D160 WeakPolarHBondContact CB-O 3.44Å; C157-D160 CarbonylContact O-C 3.56Å; C157-D160 PolarHBondContact O-N 3.19Å; C157-D160 VanDerWaalsContact O-O 3.11Å; C157-H163 HydrophobicContact CB-CB 3.68Å; C157-H163 WeakPolarHBondContact CB-O 3.47Å; C157-H163 PolarHBondContact N-O 2.79Å; C157-C177 HydrophobicContact CB-CB 4.4Å; C157-C177 PolarHBondContact SG-N 3.03Å
158	D	74.7	Confident	62.6	Low	83 Å²	83	91.7 Å²	91.7	44%	0.444	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.6	-178.6	-64.1	-26.1	0	0	0	112.9	T174 H175	D158-T174 HydrophobicContact CB-CG2 4.45Å; D158-T174 WeakPolarHBondContact OD2-CA 3.38Å; D158-T174 VanDerWaalsContact OD2-CB 3.25Å; D158-T174 WeakPolarHBondContact OD2-CB 3.5Å; D158-H175 PolarHBondContact N-O 2.99Å; D158-H175 IonicContact OD1-CE1 3.87Å; D158-H175 PolarHBondContact OD1-CE1 3.4Å; D158-H175 IonicContact OD2-CE1 2.71Å; D158-H175 PolarHBondContact OD2-N 2.91Å
159	E	74.4	Confident	64.9	Low	110 Å²	110	82.3 Å²	82.3	51%	0.514	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-18.4	178.6	-60.1	-76.3	151.1	0	0	113.3	C157 L176 C180 T184	C157-E159 PolarHBondContact O-N 3.07Å; E159-L176 HydrophobicContact CB-CD2 4.43Å; E159-L176 HydrophobicContact CG-CD2 3.42Å; E159-L176 VanDerWaalsContact CG-CD2 3.42Å; E159-C180 HydrophobicContact CB-CB 4.09Å; E159-C180 HydrophobicContact CG-CB 4.28Å; E159-T184 VanDerWaalsContact CD-CG2 3.42Å; E159-T184 HydrophobicContact CG-CG2 3.8Å; E159-T184 WeakPolarHBondContact OE2-CG2 3.38Å
160	D	66.8	Low	67	Low	64 Å²	64	82.1 Å²	82.1	34%	0.342	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	116.4	-179.3	-167.8	-44.2	0	0	0	110.7	C157 S162 H163	C157-D160 WeakPolarHBondContact CB-O 3.44Å; C157-D160 CarbonylContact O-C 3.56Å; C157-D160 PolarHBondContact O-N 3.19Å; C157-D160 VanDerWaalsContact O-O 3.11Å; D160-S162 PolarHBondContact O-N 2.95Å; D160-S162 VanDerWaalsContact O-N 3.15Å; D160-S162 VanDerWaalsContact OD1-CB 3.31Å; D160-S162 WeakPolarHBondContact OD1-CB 3.19Å; D160-S162 PolarHBondContact OD1-N 3.27Å; D160-S162 PolarHBondContact OD1-OG 2.91Å; D160-H163 HydrophobicContact CB-CB 4.32Å; D160-H163 WeakPolarHBondContact CB-ND1 3.48Å; D160-H163 PolarHBondContact O-N 3.45Å; D160-H163 VanDerWaalsContact O-N 3.08Å; D160-H163 IonicContact OD2-CE1 3.24Å; D160-H163 IonicContact OD2-ND1 2.7Å
161	E	69.1	Low	69.2	Low	153 Å²	153	76.8 Å²	76.8	72%	0.715	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	-16.9	-177.1	-62.8	-165.3	174.2	0	0	114.3	R156	R156-E161 IonicContact NH1-OE2 3.58Å
162	S	66.9	Low	71	Confident	95 Å²	95	75.6 Å²	75.6	66%	0.664	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	-16.2	176.1	73.8	0	0	0	0	113.2	D160	D160-S162 PolarHBondContact O-N 2.95Å; D160-S162 VanDerWaalsContact O-N 3.15Å; D160-S162 VanDerWaalsContact OD1-CB 3.31Å; D160-S162 WeakPolarHBondContact OD1-CB 3.19Å; D160-S162 PolarHBondContact OD1-N 3.27Å; D160-S162 PolarHBondContact OD1-OG 2.91Å
163	H	72.6	Confident	72.7	Confident	65 Å²	65	70 Å²	70	30%	0.301	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	140.9	-179.1	-64	156.7	0	0	0	112.4	C157 D160 C177	C157-H163 HydrophobicContact CB-CB 3.68Å; C157-H163 WeakPolarHBondContact CB-O 3.47Å; C157-H163 PolarHBondContact N-O 2.79Å; D160-H163 HydrophobicContact CB-CB 4.32Å; D160-H163 WeakPolarHBondContact CB-ND1 3.48Å; D160-H163 PolarHBondContact O-N 3.45Å; D160-H163 VanDerWaalsContact O-N 3.08Å; D160-H163 IonicContact OD2-CE1 3.24Å; D160-H163 IonicContact OD2-ND1 2.7Å; H163-C177 HydrophobicContact CB-CB 4.03Å
164	T	75.3	Confident	74.5	Confident	85 Å²	85	66 Å²	66	52%	0.521	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	132.9	170.6	-57.4	0	0	0	0	110	I154 C177	I154-T164 HydrophobicContact CG2-CG2 3.95Å; T164-C177 WeakPolarHBondContact O-CB 3.37Å
165	A	77.1	Confident	75.5	Confident	6 Å²	6	63 Å²	63	5%	0.05	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-73.8	133.4	176.7	0	0	0	0	0	111.1	I155 H175 L198	I155-A165 HydrophobicContact CG2-CB 4.22Å; I155-A165 WeakPolarHBondContact O-CB 3.5Å; I155-A165 PolarHBondContact O-N 2.69Å; A165-H175 HydrophobicContact CB-CB 3.72Å; A165-L198 HydrophobicContact CB-CD2 4.41Å; A165-L198 WeakPolarHBondContact O-CD2 3.29Å
166	S	79.7	Confident	75.9	Confident	57 Å²	57	60.4 Å²	60.4	40%	0.399	33%	0.331	S	S	.	.			trans	-124.3	-11.5	175.6	57.9	0	0	0	0	112.8	L176 A178 L198	S166-L176 PolarHBondContact N-O 3.47Å; S166-A178 PolarHBondContact OG-N 2.96Å; S166-L198 PolarHBondContact O-N 3.02Å
167	M	76.8	Confident	76.2	Confident	46 Å²	46	53.8 Å²	53.8	23%	0.227	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.8	-178.8	-60	-62.9	-66.1	0	0	110.3	L176 R195 V196	M167-L176 PolarHBondContact N-O 3.33Å; M167-L176 PolarHBondContact O-N 3.32Å; M167-L176 VanDerWaalsContact O-O 3.11Å; M167-R195 HydrophobicContact CE-CB 4.25Å; M167-V196 CarbonylContact C-O 3.52Å; M167-V196 WeakPolarHBondContact CA-O 3.49Å
168	Y	80.9	Confident	76.1	Confident	13 Å²	13	55.9 Å²	55.9	5%	0.051	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.8	172.8	-179.6	-110.3	0	0	0	110.2	T170 A173 T174 H175 R195 V196 K201	Y168-T170 HydrophobicContact CD1-CG2 4.16Å; Y168-T170 HydrophobicContact CE1-CG2 4.39Å; Y168-A173 VanDerWaalsContact CE2-C 3.46Å; Y168-A173 WeakPolarHBondContact CE2-O 3.5Å; Y168-A173 WeakPolarHBondContact OH-CA 3.3Å; Y168-T174 WeakPolarHBondContact CA-O 3.35Å; Y168-T174 VanDerWaalsContact CD2-O 3.27Å; Y168-T174 WeakPolarHBondContact CD2-O 3.41Å; Y168-H175 AromaticContact CD2-CD2 3.52Å; Y168-R195 WeakPolarHBondContact O-CA 3.25Å; Y168-V196 HydrophobicContact CD1-CG2 4.33Å; Y168-V196 PolarHBondContact N-O 3.06Å; Y168-V196 PolarHBondContact O-N 3.11Å; Y168-K201 HydrophobicContact CD1-CB 4.21Å; Y168-K201 HydrophobicContact CD1-CD 4.03Å; Y168-K201 HydrophobicContact CD1-CG 3.69Å; Y168-K201 HydrophobicContact CD2-CD 3.96Å; Y168-K201 HydrophobicContact CE1-CD 4.08Å; Y168-K201 HydrophobicContact CE1-CG 3.87Å; Y168-K201 HydrophobicContact CE2-CD 4.01Å; Y168-K201 HydrophobicContact CG-CB 4.37Å; Y168-K201 HydrophobicContact CG-CD 3.95Å; Y168-K201 HydrophobicContact CG-CG 4.03Å; Y168-K201 VanDerWaalsContact CZ-CE 3.43Å
169	C	79.8	Confident	76.4	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	111.3	174.8	-177.3	0	0	0	0	110	V171 C172 A173 T174 L176 H185 R195	C169-V171 PolarHBondContact O-N 3.34Å; C169-V171 VanDerWaalsContact O-N 3.11Å; C169-C172 HydrophobicContact CB-CB 4.04Å; C169-C172 PolarHBondContact SG-N 3.26Å; C169-C172 VanDerWaalsContact SG-N 3.37Å; C169-C172 VanDerWaalsContact SG-SG 3.65Å; C169-A173 VanDerWaalsContact O-CA 3.29Å; C169-A173 WeakPolarHBondContact O-CA 3.21Å; C169-A173 PolarHBondContact O-N 2.95Å; C169-T174 PolarHBondContact N-O 3.11Å; C169-L176 HydrophobicContact CB-CD1 4.42Å; C169-H185 PolarHBondContact SG-NE2 3.36Å; C169-R195 HydrophobicContact CB-CG 4.08Å
170	T	74.4	Confident	76.6	Confident	55 Å²	55	53.8 Å²	53.8	34%	0.337	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-5.8	-176	73.2	0	0	0	0	113.7	Y168 R194 V196 P202	Y168-T170 HydrophobicContact CD1-CG2 4.16Å; Y168-T170 HydrophobicContact CE1-CG2 4.39Å; T170-R194 PolarHBondContact N-O 3.28Å; T170-R194 PolarHBondContact OG1-O 2.72Å; T170-V196 HydrophobicContact CG2-CG1 4.26Å; T170-V196 HydrophobicContact CG2-CG2 3.95Å; T170-P202 HydrophobicContact CG2-CG 4.4Å
171	V	76.8	Confident	77.3	Confident	86 Å²	86	50.9 Å²	50.9	52%	0.521	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-39.3	179.5	-173.6	0	0	0	0	111.4	C169 H193	C169-V171 PolarHBondContact O-N 3.34Å; C169-V171 VanDerWaalsContact O-N 3.11Å; V171-H193 HydrophobicContact CB-CB 3.93Å; V171-H193 HydrophobicContact CG2-CB 3.93Å
172	C	74.2	Confident	77.7	Confident	50 Å²	50	50.2 Å²	50.2	34%	0.338	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-14.5	174.8	-59.6	0	0	0	0	113.3	C169 T174 H185 H193	C169-C172 HydrophobicContact CB-CB 4.04Å; C169-C172 PolarHBondContact SG-N 3.26Å; C169-C172 VanDerWaalsContact SG-N 3.37Å; C169-C172 VanDerWaalsContact SG-SG 3.65Å; C172-T174 HydrophobicContact CB-CG2 4.32Å; C172-T174 WeakPolarHBondContact CB-OG1 3.21Å; C172-T174 PolarHBondContact O-N 2.64Å; C172-H185 PolarHBondContact SG-NE2 2.84Å; C172-H193 VanDerWaalsContact SG-CE1 3.59Å; C172-H193 PolarHBondContact SG-ND1 3.04Å
173	A	75	Confident	78.3	Confident	58 Å²	58	51.6 Å²	51.6	48%	0.479	30%	0.295	S	S	.	.			trans	58.6	22.6	-171.4	0	0	0	0	0	115.1	Y168 C169	Y168-A173 VanDerWaalsContact CE2-C 3.46Å; Y168-A173 WeakPolarHBondContact CE2-O 3.5Å; Y168-A173 WeakPolarHBondContact OH-CA 3.3Å; C169-A173 VanDerWaalsContact O-CA 3.29Å; C169-A173 WeakPolarHBondContact O-CA 3.21Å; C169-A173 PolarHBondContact O-N 2.95Å
174	T	78.3	Confident	78.1	Confident	33 Å²	33	50.2 Å²	50.2	20%	0.202	29%	0.291	C	S	.	.			trans	-100.2	145.6	-178	50.3	0	0	0	0	113.8	D158 Y168 C169 C172	D158-T174 HydrophobicContact CB-CG2 4.45Å; D158-T174 WeakPolarHBondContact OD2-CA 3.38Å; D158-T174 VanDerWaalsContact OD2-CB 3.25Å; D158-T174 WeakPolarHBondContact OD2-CB 3.5Å; Y168-T174 WeakPolarHBondContact CA-O 3.35Å; Y168-T174 VanDerWaalsContact CD2-O 3.27Å; Y168-T174 WeakPolarHBondContact CD2-O 3.41Å; C169-T174 PolarHBondContact N-O 3.11Å; C172-T174 HydrophobicContact CB-CG2 4.32Å; C172-T174 WeakPolarHBondContact CB-OG1 3.21Å; C172-T174 PolarHBondContact O-N 2.64Å
175	H	82.8	Confident	78	Confident	55 Å²	55	46.6 Å²	46.6	26%	0.255	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124.7	170.8	-55.8	116.6	0	0	0	109.6	I155 D158 A165 Y168	I155-H175 HydrophobicContact CG2-CB 3.83Å; D158-H175 PolarHBondContact N-O 2.99Å; D158-H175 IonicContact OD1-CE1 3.87Å; D158-H175 PolarHBondContact OD1-CE1 3.4Å; D158-H175 IonicContact OD2-CE1 2.71Å; D158-H175 PolarHBondContact OD2-N 2.91Å; A165-H175 HydrophobicContact CB-CB 3.72Å; Y168-H175 AromaticContact CD2-CD2 3.52Å
176	L	80.6	Confident	77.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	143.4	-171.2	-61.2	170.7	0	0	0	110.4	E159 S166 M167 C169 C180	E159-L176 HydrophobicContact CB-CD2 4.43Å; E159-L176 HydrophobicContact CG-CD2 3.42Å; E159-L176 VanDerWaalsContact CG-CD2 3.42Å; S166-L176 PolarHBondContact N-O 3.47Å; M167-L176 PolarHBondContact N-O 3.33Å; M167-L176 PolarHBondContact O-N 3.32Å; M167-L176 VanDerWaalsContact O-O 3.11Å; C169-L176 HydrophobicContact CB-CD1 4.42Å; L176-C180 HydrophobicContact CD2-CB 4.47Å
177	C	83.3	Confident	76.8	Confident	12 Å²	12	50.9 Å²	50.9	8%	0.081	30%	0.296	C	S	.	.			trans	-70.5	166.1	162.6	81.3	0	0	0	0	109.9	C157 H163 T164 E179 C180 S181	C157-C177 HydrophobicContact CB-CB 4.4Å; C157-C177 PolarHBondContact SG-N 3.03Å; H163-C177 HydrophobicContact CB-CB 4.03Å; T164-C177 WeakPolarHBondContact O-CB 3.37Å; C177-E179 PolarHBondContact O-N 3.03Å; C177-C180 PolarHBondContact SG-N 3.4Å; C177-C180 PolarHBondContact SG-SG 3.09Å; C177-S181 WeakPolarHBondContact O-CB 3.31Å; C177-S181 PolarHBondContact O-N 3.22Å
178	A	78.5	Confident	75.9	Confident	47 Å²	47	60.1 Å²	60.1	39%	0.388	33%	0.328	S	S	.	.	H	α-helix	trans	-58.2	-34.4	-177.8	0	0	0	0	0	113.2	S166 Q182	S166-A178 PolarHBondContact OG-N 2.96Å; A178-Q182 WeakPolarHBondContact O-CG 3.36Å; A178-Q182 PolarHBondContact O-N 3.47Å
179	E	81.2	Confident	74.7	Confident	135 Å²	135	64.5 Å²	64.5	63%	0.631	36%	0.356	S	S	*	.	H	α-helix	trans	-79.4	-53.3	-178.4	-61.1	-177.1	-179.3	0	0	112	C177 S181 Q182 L183	C177-E179 PolarHBondContact O-N 3.03Å; E179-S181 PolarHBondContact O-N 3.32Å; E179-Q182 PolarHBondContact O-N 2.97Å; E179-L183 PolarHBondContact O-N 3.47Å
180	C	78.7	Confident	73.9	Confident	14 Å²	14	67.3 Å²	67.3	10%	0.095	37%	0.371	C	S	.	.	H	α-helix	trans	-55.6	-37	173.9	-66.6	0	0	0	0	111.5	E159 L176 C177 Q182 L183 T184	E159-C180 HydrophobicContact CB-CB 4.09Å; E159-C180 HydrophobicContact CG-CB 4.28Å; L176-C180 HydrophobicContact CD2-CB 4.47Å; C177-C180 PolarHBondContact SG-N 3.4Å; C177-C180 PolarHBondContact SG-SG 3.09Å; C180-Q182 PolarHBondContact O-N 3.09Å; C180-L183 PolarHBondContact O-N 2.76Å; C180-T184 WeakPolarHBondContact O-CB 3.47Å; C180-T184 WeakPolarHBondContact O-CG2 3.44Å; C180-T184 PolarHBondContact O-N 2.86Å; C180-T184 PolarHBondContact O-OG1 3.31Å
181	S	80.4	Confident	73.5	Confident	4 Å²	4	67.1 Å²	67.1	3%	0.028	38%	0.375	C	S	.	.	H	α-helix	trans	-57.9	-42.1	172.5	173.1	0	0	0	0	113.1	C177 E179 H185 R195	C177-S181 WeakPolarHBondContact O-CB 3.31Å; C177-S181 PolarHBondContact O-N 3.22Å; E179-S181 PolarHBondContact O-N 3.32Å; S181-H185 WeakPolarHBondContact O-CB 3.26Å; S181-H185 PolarHBondContact O-N 3.36Å; S181-R195 PolarHBondContact O-NH1 3.39Å; S181-R195 WeakPolarHBondContact OG-CD 3.32Å; S181-R195 PolarHBondContact OG-NH1 3.44Å
182	Q	78.9	Confident	73.1	Confident	138 Å²	138	71.8 Å²	71.8	65%	0.645	39%	0.388	S	S	*	.	H	α-helix	trans	-75.9	-42.6	178.3	-70	179.3	31.5	0	0	112.1	A178 E179 C180 S186	A178-Q182 WeakPolarHBondContact O-CG 3.36Å; A178-Q182 PolarHBondContact O-N 3.47Å; E179-Q182 PolarHBondContact O-N 2.97Å; C180-Q182 PolarHBondContact O-N 3.09Å; Q182-S186 WeakPolarHBondContact O-CB 3.41Å; Q182-S186 PolarHBondContact O-N 3.25Å; Q182-S186 VanDerWaalsContact O-N 3.14Å
183	L	78.3	Confident	73.2	Confident	125 Å²	125	71.5 Å²	71.5	65%	0.654	38%	0.382	S	S	*	.	H	α-helix	trans	-61.6	-54.6	-179.4	-76.8	158.3	0	0	0	112	E179 C180 H185 S186	E179-L183 PolarHBondContact O-N 3.47Å; C180-L183 PolarHBondContact O-N 2.76Å; L183-H185 PolarHBondContact O-N 2.71Å; L183-S186 WeakPolarHBondContact O-CB 3.35Å; L183-S186 PolarHBondContact O-N 3.05Å; L183-S186 PolarHBondContact O-OG 3.06Å
184	T	68.8	Low	73.3	Confident	35 Å²	35	77.4 Å²	77.4	22%	0.215	39%	0.392	C	S	.	.	H	α-helix	trans	-65.2	-37	-178.6	53.3	0	0	0	0	112.9	E159 C180 L190	E159-T184 VanDerWaalsContact CD-CG2 3.42Å; E159-T184 HydrophobicContact CG-CG2 3.8Å; E159-T184 WeakPolarHBondContact OE2-CG2 3.38Å; C180-T184 WeakPolarHBondContact O-CB 3.47Å; C180-T184 WeakPolarHBondContact O-CG2 3.44Å; C180-T184 PolarHBondContact O-N 2.86Å; C180-T184 PolarHBondContact O-OG1 3.31Å; T184-L190 VanDerWaalsContact O-CD1 3.29Å; T184-L190 WeakPolarHBondContact O-CD1 3.39Å
185	H	73.5	Confident	73.5	Confident	9 Å²	9	79.7 Å²	79.7	4%	0.042	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	25.6	-177.6	-61.8	69.6	0	0	0	113.2	C169 C172 S181 L183 L190 A191 H193	C169-H185 PolarHBondContact SG-NE2 3.36Å; C172-H185 PolarHBondContact SG-NE2 2.84Å; S181-H185 WeakPolarHBondContact O-CB 3.26Å; S181-H185 PolarHBondContact O-N 3.36Å; L183-H185 PolarHBondContact O-N 2.71Å; H185-L190 HydrophobicContact CB-CB 4.28Å; H185-L190 PolarHBondContact CD2-O 3.13Å; H185-A191 WeakPolarHBondContact O-CA 3.36Å; H185-A191 WeakPolarHBondContact O-CB 3.43Å; H185-A191 PolarHBondContact O-N 3.49Å; H185-H193 AromaticContact CD2-ND1 3.77Å; H185-H193 AromaticContact NE2-ND1 3.7Å
186	S	68.4	Low	73.3	Confident	87 Å²	87	77.9 Å²	77.9	61%	0.608	39%	0.389	S	S	*	.			trans	-77.7	-19.6	176.9	58.9	0	0	0	0	114	Q182 L183	Q182-S186 WeakPolarHBondContact O-CB 3.41Å; Q182-S186 PolarHBondContact O-N 3.25Å; Q182-S186 VanDerWaalsContact O-N 3.14Å; L183-S186 WeakPolarHBondContact O-CB 3.35Å; L183-S186 PolarHBondContact O-N 3.05Å; L183-S186 PolarHBondContact O-OG 3.06Å
187	T	64.2	Low	73.1	Confident	67 Å²	67	80.7 Å²	80.7	41%	0.411	41%	0.408	S	S	.	.	S	Bend	trans	-80.7	152.1	-174.3	60.1	0	0	0	0	113.1	T189 L190 A191	T187-T189 PolarHBondContact O-N 3.04Å; T187-L190 PolarHBondContact O-N 2.97Å; T187-L190 VanDerWaalsContact O-N 3.13Å; T187-A191 VanDerWaalsContact O-CB 3.28Å; T187-A191 WeakPolarHBondContact O-CB 3.43Å; T187-A191 PolarHBondContact O-N 3.36Å
188	R	56.4	Low	72.6	Confident	239 Å²	239	82 Å²	82	90%	0.902	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-22.5	-174.6	-93.1	178.9	68	-177.5	1.3	115.8
189	T	57.5	Low	72	Confident	106 Å²	106	84.4 Å²	84.4	65%	0.65	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-52	175.2	32	0	0	0	0	111.7	T187	T187-T189 PolarHBondContact O-N 3.04Å
190	L	61.2	Low	71.4	Confident	58 Å²	58	83 Å²	83	30%	0.304	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-76.4	-25.5	-174	-59.8	177.7	0	0	0	113.4	T184 H185 T187 K192 H193	T184-L190 VanDerWaalsContact O-CD1 3.29Å; T184-L190 WeakPolarHBondContact O-CD1 3.39Å; H185-L190 HydrophobicContact CB-CB 4.28Å; H185-L190 PolarHBondContact CD2-O 3.13Å; T187-L190 PolarHBondContact O-N 2.97Å; T187-L190 VanDerWaalsContact O-N 3.13Å; L190-K192 PolarHBondContact O-N 2.57Å; L190-H193 WeakPolarHBondContact CD2-CE1 3.05Å; L190-H193 WeakPolarHBondContact O-CB 3.39Å; L190-H193 PolarHBondContact O-N 3.4Å
191	A	67.2	Low	71	Confident	52 Å²	52	84.7 Å²	84.7	43%	0.43	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-59.3	-19.1	177.1	0	0	0	0	0	114.1	H185 T187 H193	H185-A191 WeakPolarHBondContact O-CA 3.36Å; H185-A191 WeakPolarHBondContact O-CB 3.43Å; H185-A191 PolarHBondContact O-N 3.49Å; T187-A191 VanDerWaalsContact O-CB 3.28Å; T187-A191 WeakPolarHBondContact O-CB 3.43Å; T187-A191 PolarHBondContact O-N 3.36Å; A191-H193 VanDerWaalsContact C-N 3.35Å
192	K	67.1	Low	70.1	Confident	183 Å²	183	88.1 Å²	88.1	80%	0.796	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-81.9	-8.8	175.3	-65.3	-174.9	178.2	-175.9	0	113.9	L190	L190-K192 PolarHBondContact O-N 2.57Å
193	H	76.4	Confident	69.3	Low	44 Å²	44	88.6 Å²	88.6	20%	0.204	46%	0.46	C	S	.	.	S	Bend	trans	-71.8	131.8	-178.9	-65.2	-172.7	0	0	0	110.8	V171 C172 H185 L190 A191 R195	V171-H193 HydrophobicContact CB-CB 3.93Å; V171-H193 HydrophobicContact CG2-CB 3.93Å; C172-H193 VanDerWaalsContact SG-CE1 3.59Å; C172-H193 PolarHBondContact SG-ND1 3.04Å; H185-H193 AromaticContact CD2-ND1 3.77Å; H185-H193 AromaticContact NE2-ND1 3.7Å; L190-H193 WeakPolarHBondContact CD2-CE1 3.05Å; L190-H193 WeakPolarHBondContact O-CB 3.39Å; L190-H193 PolarHBondContact O-N 3.4Å; A191-H193 VanDerWaalsContact C-N 3.35Å; H193-R195 PolarHBondContact O-N 2.63Å
194	R	78.1	Confident	68.5	Low	183 Å²	183	90 Å²	90	69%	0.691	46%	0.464	S	S	*	.			trans	-70.2	123.8	176	-175	177.1	-177.3	-178	-0.7	109.2	T170	T170-R194 PolarHBondContact N-O 3.28Å; T170-R194 PolarHBondContact OG1-O 2.72Å
195	R	82.4	Confident	68.3	Low	80 Å²	80	94.3 Å²	94.3	30%	0.302	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132.3	177.5	-67.6	168.9	-72.8	163.9	-1.7	107.7	M167 Y168 C169 S181 H193	M167-R195 HydrophobicContact CE-CB 4.25Å; Y168-R195 WeakPolarHBondContact O-CA 3.25Å; C169-R195 HydrophobicContact CB-CG 4.08Å; S181-R195 PolarHBondContact O-NH1 3.39Å; S181-R195 WeakPolarHBondContact OG-CD 3.32Å; S181-R195 PolarHBondContact OG-NH1 3.44Å; H193-R195 PolarHBondContact O-N 2.63Å
196	V	78.1	Confident	68.2	Low	17 Å²	17	100.8 Å²	100.8	10%	0.103	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	154.1	-180	-64.5	0	0	0	0	109.2	M167 Y168 T170 D200	M167-V196 CarbonylContact C-O 3.52Å; M167-V196 WeakPolarHBondContact CA-O 3.49Å; Y168-V196 HydrophobicContact CD1-CG2 4.33Å; Y168-V196 PolarHBondContact N-O 3.06Å; Y168-V196 PolarHBondContact O-N 3.11Å; T170-V196 HydrophobicContact CG2-CG1 4.26Å; T170-V196 HydrophobicContact CG2-CG2 3.95Å; V196-D200 HydrophobicContact CB-CB 4.14Å
197	P	77.4	Confident	68.7	Low	60 Å²	60	101.7 Å²	101.7	39%	0.39	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	148.6	165	-24.8	35.2	0	0	0	110.8	A199 D200 K201	P197-A199 PolarHBondContact O-N 3.39Å; P197-D200 WeakPolarHBondContact CD-OD2 3.47Å; P197-D200 WeakPolarHBondContact CG-OD2 3.47Å; P197-D200 CarbonylContact O-C 3.55Å; P197-D200 WeakPolarHBondContact O-CA 3.49Å; P197-D200 PolarHBondContact O-N 3.47Å; P197-K201 PolarHBondContact O-N 3.37Å
198	L	72.9	Confident	69.4	Low	40 Å²	40	98.8 Å²	98.8	21%	0.209	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	-60.6	-32.5	-178.3	-173.8	64.6	0	0	0	112.6	I155 A165 S166 D200 K201	I155-L198 HydrophobicContact CB-CD2 4.04Å; I155-L198 HydrophobicContact CD1-CD1 4.32Å; I155-L198 HydrophobicContact CD1-CD2 4.16Å; I155-L198 HydrophobicContact CG1-CD2 4.41Å; A165-L198 HydrophobicContact CB-CD2 4.41Å; A165-L198 WeakPolarHBondContact O-CD2 3.29Å; S166-L198 PolarHBondContact O-N 3.02Å; L198-D200 PolarHBondContact O-N 2.9Å; L198-K201 VanDerWaalsContact O-CB 3.29Å; L198-K201 WeakPolarHBondContact O-CB 3.4Å; L198-K201 PolarHBondContact O-N 2.66Å
199	A	66	Low	70.3	Confident	96 Å²	96	92.6 Å²	92.6	79%	0.793	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-61.7	-29.4	172.3	0	0	0	0	0	113.4	P197	P197-A199 PolarHBondContact O-N 3.39Å
200	D	67.5	Low	71.2	Confident	107 Å²	107	92.7 Å²	92.7	57%	0.572	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-95.9	13.2	178.7	-61.8	-36.6	0	0	0	112.3	V196 P197 L198 P202	V196-D200 HydrophobicContact CB-CB 4.14Å; P197-D200 WeakPolarHBondContact CD-OD2 3.47Å; P197-D200 WeakPolarHBondContact CG-OD2 3.47Å; P197-D200 CarbonylContact O-C 3.55Å; P197-D200 WeakPolarHBondContact O-CA 3.49Å; P197-D200 PolarHBondContact O-N 3.47Å; L198-D200 PolarHBondContact O-N 2.9Å; D200-P202 WeakPolarHBondContact O-CD 3.43Å; D200-P202 VanDerWaalsContact O-N 3.14Å
201	K	70.5	Confident	72	Confident	49 Å²	49	92.4 Å²	92.4	21%	0.213	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-57.6	119.4	175.4	174.4	170.7	-179.5	173	0	108.7	Y168 P197 L198 H203	Y168-K201 HydrophobicContact CD1-CB 4.21Å; Y168-K201 HydrophobicContact CD1-CD 4.03Å; Y168-K201 HydrophobicContact CD1-CG 3.69Å; Y168-K201 HydrophobicContact CD2-CD 3.96Å; Y168-K201 HydrophobicContact CE1-CD 4.08Å; Y168-K201 HydrophobicContact CE1-CG 3.87Å; Y168-K201 HydrophobicContact CE2-CD 4.01Å; Y168-K201 HydrophobicContact CG-CB 4.37Å; Y168-K201 HydrophobicContact CG-CD 3.95Å; Y168-K201 HydrophobicContact CG-CG 4.03Å; Y168-K201 VanDerWaalsContact CZ-CE 3.43Å; P197-K201 PolarHBondContact O-N 3.37Å; L198-K201 VanDerWaalsContact O-CB 3.29Å; L198-K201 WeakPolarHBondContact O-CB 3.4Å; L198-K201 PolarHBondContact O-N 2.66Å; K201-H203 PolarHBondContact O-N 3.41Å; K201-H203 VanDerWaalsContact O-N 3.13Å
202	P	61.1	Low	72.5	Confident	75 Å²	75	97.3 Å²	97.3	49%	0.487	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-59.5	123	179.7	24	-33.2	0	0	0	109.3	T170 D200 E204	T170-P202 HydrophobicContact CG2-CG 4.4Å; D200-P202 WeakPolarHBondContact O-CD 3.43Å; D200-P202 VanDerWaalsContact O-N 3.14Å; P202-E204 PolarHBondContact O-N 2.76Å
203	H	62.6	Low	73	Confident	148 Å²	148	94.8 Å²	94.8	69%	0.685	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-63.1	119.7	179.5	-63.3	-35.3	0	0	0	109.8	K201 K205	K201-H203 PolarHBondContact O-N 3.41Å; K201-H203 VanDerWaalsContact O-N 3.13Å; H203-K205 PolarHBondContact O-N 3.42Å
204	E	62.3	Low	73.2	Confident	156 Å²	156	96.2 Å²	96.2	73%	0.729	49%	0.492	S	S	*	.			trans	-62.1	111.6	170.7	-76.8	171.8	-163.3	0	0	108.6	P202 M206	P202-E204 PolarHBondContact O-N 2.76Å; E204-M206 PolarHBondContact O-N 3.42Å; E204-M206 VanDerWaalsContact O-N 3.09Å
205	K	64.5	Low	73.4	Confident	125 Å²	125	88.3 Å²	88.3	54%	0.543	47%	0.466	S	S	.	.			trans	-65.8	110.6	179	-71.2	-170	172.2	-170.9	0	109.1	H203 L207 A215 E217	H203-K205 PolarHBondContact O-N 3.42Å; K205-L207 PolarHBondContact O-N 3.15Å; K205-A215 HydrophobicContact CB-CB 3.81Å; K205-A215 HydrophobicContact CD-CB 3.83Å; K205-A215 HydrophobicContact CG-CB 4.4Å; K205-E217 IonicContact NZ-OE1 3.17Å; K205-E217 PolarHBondContact NZ-OE1 3.45Å
206	M	70.9	Confident	73.5	Confident	144 Å²	144	85.3 Å²	85.3	71%	0.709	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-57.4	132.3	172.3	-73.9	-164.5	-161.2	0	0	110.1	E204 A215 I216	E204-M206 PolarHBondContact O-N 3.42Å; E204-M206 VanDerWaalsContact O-N 3.09Å; M206-A215 WeakPolarHBondContact O-CA 3.16Å; M206-I216 HydrophobicContact CB-CD1 4.13Å; M206-I216 PolarHBondContact O-N 3.22Å
207	L	78.6	Confident	73.8	Confident	106 Å²	106	87.8 Å²	87.8	56%	0.555	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	145.8	175.6	-63.5	165.5	0	0	0	109.9	K205 Q212	K205-L207 PolarHBondContact O-N 3.15Å; L207-Q212 WeakPolarHBondContact CD1-O 3.35Å
208	C	78.2	Confident	74.2	Confident	6 Å²	6	86.3 Å²	86.3	4%	0.041	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	128.8	-179.9	179.3	0	0	0	0	110.8	Q210 H211 Q212 H214 I216 C232 C235	C208-Q210 PolarHBondContact O-N 2.87Å; C208-Q210 VanDerWaalsContact O-N 3.09Å; C208-H211 HydrophobicContact CB-CB 4.07Å; C208-H211 CarbonylContact O-C 3.42Å; C208-H211 PolarHBondContact O-N 3.39Å; C208-Q212 PolarHBondContact O-N 3.18Å; C208-H214 WeakPolarHBondContact CB-O 3.15Å; C208-H214 PolarHBondContact N-O 2.94Å; C208-I216 HydrophobicContact CB-CG1 4.29Å; C208-C232 HydrophobicContact CB-CB 3.82Å; C208-C235 VanDerWaalsContact SG-SG 3.62Å
209	P	76.8	Confident	74.9	Confident	110 Å²	110	85.3 Å²	85.3	71%	0.714	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.2	179.1	-27.1	34.9	0	0	0	114.5
210	Q	75.3	Confident	75.9	Confident	107 Å²	107	81.2 Å²	81.2	50%	0.5	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-21.2	178.7	-64.7	175.6	15.5	0	0	113.1	C208	C208-Q210 PolarHBondContact O-N 2.87Å; C208-Q210 VanDerWaalsContact O-N 3.09Å
211	H	79.1	Confident	76.8	Confident	53 Å²	53	79.1 Å²	79.1	25%	0.245	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	76.1	-175.6	-58	107.5	0	0	0	109.2	C208 V213 H214 C235	C208-H211 HydrophobicContact CB-CB 4.07Å; C208-H211 CarbonylContact O-C 3.42Å; C208-H211 PolarHBondContact O-N 3.39Å; H211-V213 PolarHBondContact O-N 2.8Å; H211-H214 HydrophobicContact CB-CB 4.24Å; H211-H214 PolarHBondContact O-N 2.98Å; H211-C235 PolarHBondContact CE1-SG 3.15Å; H211-C235 PolarHBondContact ND1-SG 2.8Å
212	Q	76.1	Confident	77.6	Confident	154 Å²	154	80.8 Å²	80.8	72%	0.72	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.9	-12.9	-165.7	-62.7	178.9	0.7	0	0	115.5	L207 C208	L207-Q212 WeakPolarHBondContact CD1-O 3.35Å; C208-Q212 PolarHBondContact O-N 3.18Å
213	V	78.9	Confident	78.3	Confident	130 Å²	130	87 Å²	87	79%	0.788	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	-12.7	176.6	-166	0	0	0	0	112.2	H211	H211-V213 PolarHBondContact O-N 2.8Å
214	H	80.6	Confident	78.9	Confident	74 Å²	74	84.1 Å²	84.1	34%	0.343	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.2	-172.9	-63.9	-89.5	0	0	0	111.7	C208 H211 C232 C233	C208-H214 WeakPolarHBondContact CB-O 3.15Å; C208-H214 PolarHBondContact N-O 2.94Å; H211-H214 HydrophobicContact CB-CB 4.24Å; H211-H214 PolarHBondContact O-N 2.98Å; H214-C232 HydrophobicContact CB-CB 3.85Å; H214-C233 PolarHBondContact ND1-SG 2.9Å; H214-C233 VanDerWaalsContact ND1-SG 3.38Å
215	A	82.2	Confident	79.7	Confident	18 Å²	18	77.9 Å²	77.9	15%	0.149	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	147.6	173.5	0	0	0	0	0	112.5	K205 M206 E217 C232	K205-A215 HydrophobicContact CB-CB 3.81Å; K205-A215 HydrophobicContact CD-CB 3.83Å; K205-A215 HydrophobicContact CG-CB 4.4Å; M206-A215 WeakPolarHBondContact O-CA 3.16Å; A215-E217 HydrophobicContact CB-CG 4.04Å; A215-C232 WeakPolarHBondContact O-CA 3.37Å; A215-C232 WeakPolarHBondContact O-CB 3.38Å
216	I	83.9	Confident	80.1	Confident	16 Å²	16	81.3 Å²	81.3	8%	0.082	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	120.3	165.3	-58.1	173.7	0	0	0	107.6	M206 C208 L230 L249	M206-I216 HydrophobicContact CB-CD1 4.13Å; M206-I216 PolarHBondContact O-N 3.22Å; C208-I216 HydrophobicContact CB-CG1 4.29Å; I216-L230 HydrophobicContact CD1-CB 4.3Å; I216-L230 HydrophobicContact CD1-CD1 4.49Å; I216-L230 HydrophobicContact CG2-CB 3.89Å; I216-L230 HydrophobicContact CG2-CD2 4.3Å; I216-L249 HydrophobicContact CG2-CD2 4.09Å
217	E	83.6	Confident	80.1	Confident	69 Å²	69	76.5 Å²	76.5	32%	0.322	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	-13.6	-175.6	-63.2	-172.6	143	0	0	112.7	K205 A215 M231 L249	K205-E217 IonicContact NZ-OE1 3.17Å; K205-E217 PolarHBondContact NZ-OE1 3.45Å; A215-E217 HydrophobicContact CB-CG 4.04Å; E217-M231 PolarHBondContact N-O 2.61Å; E217-L249 WeakPolarHBondContact O-CB 3.39Å; E217-L249 PolarHBondContact O-N 2.85Å
218	F	86.1	Confident	80	Confident	30 Å²	30	72.9 Å²	72.9	13%	0.132	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	154.1	-176.5	-53.4	-83.3	0	0	0	111.8	M231 C233 K236 H246 A247 L248	F218-M231 HydrophobicContact CB-CE 3.46Å; F218-M231 VanDerWaalsContact CB-CE 3.46Å; F218-M231 HydrophobicContact CB-CG 3.74Å; F218-M231 HydrophobicContact CB-SD 4.5Å; F218-M231 HydrophobicContact CG-CE 4.17Å; F218-M231 PolarHBondContact N-O 2.9Å; F218-M231 VanDerWaalsContact N-O 3.08Å; F218-M231 PolarHBondContact O-N 3.29Å; F218-C233 HydrophobicContact CE2-CB 4.42Å; F218-K236 HydrophobicContact CD2-CD 4.13Å; F218-K236 HydrophobicContact CE2-CD 4.11Å; F218-K236 HydrophobicContact CG-CD 4.36Å; F218-K236 HydrophobicContact CZ-CD 4.3Å; F218-H246 AromaticContact CD1-CD2 3.81Å; F218-A247 CarbonylContact C-O 3.49Å; F218-A247 VanDerWaalsContact CA-O 3.25Å; F218-A247 WeakPolarHBondContact CA-O 3.37Å; F218-A247 WeakPolarHBondContact CB-O 3.43Å; F218-L248 HydrophobicContact CD1-CD2 3.92Å; F218-L248 HydrophobicContact CE1-CD2 3.65Å; F218-L248 HydrophobicContact CZ-CD2 4.49Å
219	V	87.3	Confident	80.2	Confident	19 Å²	19	76.4 Å²	76.4	12%	0.115	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.2	170.4	174	0	0	0	0	108.7	L221 P229 L230 H246 A247 L249 E252	V219-L221 HydrophobicContact CG1-CD2 4.15Å; V219-P229 CarbonylContact C-O 3.55Å; V219-P229 VanDerWaalsContact CA-O 3.25Å; V219-P229 WeakPolarHBondContact CA-O 3.48Å; V219-P229 HydrophobicContact CG1-CB 4.29Å; V219-L230 HydrophobicContact CG2-CD2 4.2Å; V219-H246 CarbonylContact O-C 3.51Å; V219-H246 WeakPolarHBondContact O-CA 3.47Å; V219-H246 WeakPolarHBondContact O-CB 3.39Å; V219-A247 PolarHBondContact N-O 3.45Å; V219-A247 PolarHBondContact O-N 2.98Å; V219-L249 HydrophobicContact CG2-CB 4.17Å; V219-L249 HydrophobicContact CG2-CD1 3.45Å; V219-L249 VanDerWaalsContact CG2-CD1 3.45Å; V219-L249 HydrophobicContact CG2-CG 4.43Å; V219-E252 HydrophobicContact CB-CB 4.45Å; V219-E252 HydrophobicContact CB-CG 4.19Å; V219-E252 HydrophobicContact CG1-CG 4.44Å; V219-E252 HydrophobicContact CG2-CB 4.35Å
220	C	88.7	Confident	80.6	Confident	9 Å²	9	75.3 Å²	75.3	6%	0.061	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	126.4	170.4	-173.4	0	0	0	0	109.1	P229 M231 H244	C220-P229 PolarHBondContact N-O 3.28Å; C220-M231 HydrophobicContact CB-SD 4.29Å; C220-H244 PolarHBondContact SG-ND1 3.35Å
221	L	86.5	Confident	81	Confident	64 Å²	64	70.2 Å²	70.2	34%	0.335	38%	0.383	S	S	.	.			trans	-99.9	14.7	-175.7	-59.8	179.1	0	0	0	112.6	V219 K245 A247 E252	V219-L221 HydrophobicContact CG1-CD2 4.15Å; L221-K245 HydrophobicContact CB-CB 4.46Å; L221-K245 HydrophobicContact CB-CG 4.33Å; L221-K245 HydrophobicContact CD1-CG 4.42Å; L221-K245 PolarHBondContact N-O 3.45Å; L221-A247 HydrophobicContact CD1-CB 3.86Å; L221-A247 HydrophobicContact CG-CB 4.38Å; L221-E252 HydrophobicContact CD2-CG 4.13Å
222	E	86.3	Confident	81.4	Confident	84 Å²	84	67.7 Å²	67.7	39%	0.393	37%	0.371	S	S	.	.			trans	-94.4	107.1	-174.4	-156.8	93.5	-140.5	0	0	109.2	A224 C225 H244 K245	E222-A224 PolarHBondContact O-N 2.92Å; E222-A224 VanDerWaalsContact O-N 3.08Å; E222-C225 HydrophobicContact CB-CB 4.26Å; E222-C225 WeakPolarHBondContact O-CB 3.44Å; E222-C225 PolarHBondContact O-N 3.42Å; E222-H244 HydrophobicContact CB-CB 4.27Å; E222-H244 VanDerWaalsContact OE2-CA 3.29Å; E222-H244 WeakPolarHBondContact OE2-CA 3.35Å; E222-H244 IonicContact OE2-CG 3.44Å; E222-K245 PolarHBondContact OE2-N 2.83Å
223	E	75.3	Confident	81.7	Confident	206 Å²	206	62 Å²	62	96%	0.963	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-25	-174.5	-64.1	-173.5	166.8	0	0	113.7	C225	E223-C225 VanDerWaalsContact C-N 3.32Å; E223-C225 PolarHBondContact O-N 2.88Å
224	A	76.8	Confident	81.9	Confident	87 Å²	87	57.5 Å²	57.5	72%	0.719	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	5.1	177	0	0	0	0	0	114.3	E222 Q226	E222-A224 PolarHBondContact O-N 2.92Å; E222-A224 VanDerWaalsContact O-N 3.08Å; A224-Q226 PolarHBondContact O-N 2.66Å; A224-Q226 VanDerWaalsContact O-N 3.15Å
225	C	78.6	Confident	82	Confident	24 Å²	24	54.1 Å²	54.1	16%	0.162	31%	0.306	C	S	.	.			trans	-74.5	106.3	-173.4	-168	0	0	0	0	113.6	E222 E223 S227 H241	E222-C225 HydrophobicContact CB-CB 4.26Å; E222-C225 WeakPolarHBondContact O-CB 3.44Å; E222-C225 PolarHBondContact O-N 3.42Å; E223-C225 VanDerWaalsContact C-N 3.32Å; E223-C225 PolarHBondContact O-N 2.88Å; C225-S227 PolarHBondContact O-N 3.19Å; C225-H241 PolarHBondContact SG-CE1 2.9Å; C225-H241 PolarHBondContact SG-ND1 2.96Å; C225-H241 VanDerWaalsContact SG-ND1 3.4Å
226	Q	73.3	Confident	82	Confident	197 Å²	197	55.7 Å²	55.7	92%	0.921	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-8.1	-179.5	-60.5	-179.1	2.9	0	0	115.1	A224	A224-Q226 PolarHBondContact O-N 2.66Å; A224-Q226 VanDerWaalsContact O-N 3.15Å
227	S	70.9	Confident	81.9	Confident	43 Å²	43	59.6 Å²	59.6	30%	0.301	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	3.5	-176	-63.4	0	0	0	0	114.4	C225 K240 H241	C225-S227 PolarHBondContact O-N 3.19Å; S227-K240 WeakPolarHBondContact OG-CB 3.41Å; S227-K240 WeakPolarHBondContact OG-CD 3.48Å; S227-H241 WeakPolarHBondContact CB-NE2 3.45Å
228	G	75.6	Confident	81.6	Confident	31 Å²	31	64.9 Å²	64.9	32%	0.32	35%	0.345	S	S	.	.			trans	87.3	163.4	-178.2	0	0	0	0	0	113.4	H241	G228-H241 PolarHBondContact O-CE1 3.15Å
229	P	81.4	Confident	81.3	Confident	79 Å²	79	64.6 Å²	64.6	51%	0.513	35%	0.351	S	S	.	.	S	Bend	trans	-79.8	-20.7	-170.3	29.8	-35.1	0	0	0	114.3	V219 C220	V219-P229 CarbonylContact C-O 3.55Å; V219-P229 VanDerWaalsContact CA-O 3.25Å; V219-P229 WeakPolarHBondContact CA-O 3.48Å; V219-P229 HydrophobicContact CG1-CB 4.29Å; C220-P229 PolarHBondContact N-O 3.28Å
230	L	86.4	Confident	80.8	Confident	87 Å²	87	70 Å²	70	46%	0.455	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.8	-172.5	-63.3	179.9	0	0	0	112.3	I216 V219 L249	I216-L230 HydrophobicContact CD1-CB 4.3Å; I216-L230 HydrophobicContact CD1-CD1 4.49Å; I216-L230 HydrophobicContact CG2-CB 3.89Å; I216-L230 HydrophobicContact CG2-CD2 4.3Å; V219-L230 HydrophobicContact CG2-CD2 4.2Å; L230-L249 HydrophobicContact CD2-CD1 3.74Å
231	M	84.3	Confident	80.4	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.005	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	150.7	-179.3	73.1	179.9	-172.5	0	0	115	E217 F218 C220 C235 K236 H241 H246	E217-M231 PolarHBondContact N-O 2.61Å; F218-M231 HydrophobicContact CB-CE 3.46Å; F218-M231 VanDerWaalsContact CB-CE 3.46Å; F218-M231 HydrophobicContact CB-CG 3.74Å; F218-M231 HydrophobicContact CB-SD 4.5Å; F218-M231 HydrophobicContact CG-CE 4.17Å; F218-M231 PolarHBondContact N-O 2.9Å; F218-M231 VanDerWaalsContact N-O 3.08Å; F218-M231 PolarHBondContact O-N 3.29Å; C220-M231 HydrophobicContact CB-SD 4.29Å; M231-C235 HydrophobicContact CB-CB 3.75Å; M231-K236 HydrophobicContact CE-CB 3.79Å; M231-K236 HydrophobicContact CE-CD 4.2Å; M231-K236 HydrophobicContact CE-CG 3.85Å; M231-K236 HydrophobicContact SD-CB 3.97Å; M231-H241 HydrophobicContact SD-CB 3.45Å; M231-H241 WeakPolarHBondContact SD-CB 3.42Å; M231-H246 HydrophobicContact CE-CB 3.3Å
232	C	85.7	Confident	80.2	Confident	0 Å²	0	73 Å²	73	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	174.5	169	67.1	0	0	0	0	112	C208 H214 A215 V234 C235 K236	C208-C232 HydrophobicContact CB-CB 3.82Å; H214-C232 HydrophobicContact CB-CB 3.85Å; A215-C232 WeakPolarHBondContact O-CA 3.37Å; A215-C232 WeakPolarHBondContact O-CB 3.38Å; C232-V234 VanDerWaalsContact C-N 3.31Å; C232-V234 PolarHBondContact O-N 2.83Å; C232-C235 WeakPolarHBondContact O-CB 3.26Å; C232-C235 PolarHBondContact O-N 3.26Å; C232-C235 PolarHBondContact SG-N 2.73Å; C232-C235 VanDerWaalsContact SG-SG 3.63Å; C232-K236 PolarHBondContact O-N 3.05Å; C232-K236 VanDerWaalsContact O-N 3.1Å
233	C	83.3	Confident	79.8	Confident	35 Å²	35	72.8 Å²	72.8	24%	0.236	41%	0.405	C	S	.	.	H	α-helix	trans	-54.4	-41.7	176.5	55.1	0	0	0	0	113.5	H214 F218 K236 E237	H214-C233 PolarHBondContact ND1-SG 2.9Å; H214-C233 VanDerWaalsContact ND1-SG 3.38Å; F218-C233 HydrophobicContact CE2-CB 4.42Å; C233-K236 WeakPolarHBondContact O-CB 3.37Å; C233-K236 PolarHBondContact O-N 3.35Å; C233-E237 PolarHBondContact O-N 2.72Å
234	V	82.9	Confident	80.4	Confident	34 Å²	34	65.6 Å²	65.6	21%	0.206	37%	0.371	C	S	.	.	H	α-helix	trans	-67.5	-42.5	178.7	-174.6	0	0	0	0	111.7	C232 K236 E237 Y238 G239	C232-V234 VanDerWaalsContact C-N 3.31Å; C232-V234 PolarHBondContact O-N 2.83Å; V234-K236 PolarHBondContact O-N 3.47Å; V234-E237 PolarHBondContact O-N 2.99Å; V234-Y238 PolarHBondContact O-N 3.28Å; V234-G239 PolarHBondContact O-N 3.22Å
235	C	83	Confident	80.9	Confident	4 Å²	4	68.2 Å²	68.2	3%	0.027	37%	0.366	C	S	.	.	H	α-helix	trans	-58.3	-36.2	174.9	-77.9	0	0	0	0	112.9	C208 H211 M231 C232 G239 H241	C208-C235 VanDerWaalsContact SG-SG 3.62Å; H211-C235 PolarHBondContact CE1-SG 3.15Å; H211-C235 PolarHBondContact ND1-SG 2.8Å; M231-C235 HydrophobicContact CB-CB 3.75Å; C232-C235 WeakPolarHBondContact O-CB 3.26Å; C232-C235 PolarHBondContact O-N 3.26Å; C232-C235 PolarHBondContact SG-N 2.73Å; C232-C235 VanDerWaalsContact SG-SG 3.63Å; C235-G239 CarbonylContact O-C 3.19Å; C235-G239 VanDerWaalsContact O-C 3.22Å; C235-G239 VanDerWaalsContact O-CA 3.31Å; C235-G239 WeakPolarHBondContact O-CA 3.43Å; C235-G239 PolarHBondContact O-N 3Å; C235-H241 PolarHBondContact O-N 2.93Å
236	K	82.1	Confident	81.3	Confident	51 Å²	51	71.5 Å²	71.5	22%	0.222	38%	0.379	C	S	.	.	H	α-helix	trans	-73.9	-47.8	178.7	174	-169	162.6	-176.5	0	112.8	F218 M231 C232 C233 V234 Q242	F218-K236 HydrophobicContact CD2-CD 4.13Å; F218-K236 HydrophobicContact CE2-CD 4.11Å; F218-K236 HydrophobicContact CG-CD 4.36Å; F218-K236 HydrophobicContact CZ-CD 4.3Å; M231-K236 HydrophobicContact CE-CB 3.79Å; M231-K236 HydrophobicContact CE-CD 4.2Å; M231-K236 HydrophobicContact CE-CG 3.85Å; M231-K236 HydrophobicContact SD-CB 3.97Å; C232-K236 PolarHBondContact O-N 3.05Å; C232-K236 VanDerWaalsContact O-N 3.1Å; C233-K236 WeakPolarHBondContact O-CB 3.37Å; C233-K236 PolarHBondContact O-N 3.35Å; V234-K236 PolarHBondContact O-N 3.47Å; K236-Q242 WeakPolarHBondContact O-CA 3.23Å
237	E	81.4	Confident	82	Confident	97 Å²	97	63 Å²	63	45%	0.453	34%	0.342	S	S	.	.	H	α-helix	trans	-88.6	-34.6	-168.9	-69.4	177.6	-172.7	0	0	113.4	C233 V234 Q242	C233-E237 PolarHBondContact O-N 2.72Å; V234-E237 PolarHBondContact O-N 2.99Å; E237-Q242 PolarHBondContact O-NE2 3.24Å
238	Y	78.3	Confident	82.8	Confident	180 Å²	180	65.5 Å²	65.5	71%	0.706	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.4	-5.3	-173.3	-53.3	-81.9	0	0	0	113.7	V234	V234-Y238 PolarHBondContact O-N 3.28Å
239	G	78.8	Confident	83.3	Confident	25 Å²	25	66.6 Å²	66.6	26%	0.258	35%	0.35	S	S	.	.	S	Bend	trans	-105.3	-160.7	-175.8	0	0	0	0	0	114.3	V234 C235 H241 Q242	V234-G239 PolarHBondContact O-N 3.22Å; C235-G239 CarbonylContact O-C 3.19Å; C235-G239 VanDerWaalsContact O-C 3.22Å; C235-G239 VanDerWaalsContact O-CA 3.31Å; C235-G239 WeakPolarHBondContact O-CA 3.43Å; C235-G239 PolarHBondContact O-N 3Å; G239-H241 PolarHBondContact O-N 3.39Å; G239-Q242 WeakPolarHBondContact O-CB 3.26Å; G239-Q242 PolarHBondContact O-N 2.91Å; G239-Q242 VanDerWaalsContact O-N 3.14Å
240	K	77.2	Confident	83.3	Confident	131 Å²	131	69.2 Å²	69.2	57%	0.57	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	3.5	-171.6	-57.7	-176.8	-178	179	0	115.7	S227 H244	S227-K240 WeakPolarHBondContact OG-CB 3.41Å; S227-K240 WeakPolarHBondContact OG-CD 3.48Å; K240-H244 PolarHBondContact O-CE1 3.48Å
241	H	80.3	Confident	83.1	Confident	5 Å²	5	68.8 Å²	68.8	2%	0.023	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	11.9	177.7	-53.8	-98.7	0	0	0	112.2	C225 S227 G228 M231 C235 G239 G243 H244	C225-H241 PolarHBondContact SG-CE1 2.9Å; C225-H241 PolarHBondContact SG-ND1 2.96Å; C225-H241 VanDerWaalsContact SG-ND1 3.4Å; S227-H241 WeakPolarHBondContact CB-NE2 3.45Å; G228-H241 PolarHBondContact O-CE1 3.15Å; M231-H241 HydrophobicContact SD-CB 3.45Å; M231-H241 WeakPolarHBondContact SD-CB 3.42Å; C235-H241 PolarHBondContact O-N 2.93Å; G239-H241 PolarHBondContact O-N 3.39Å; H241-G243 PolarHBondContact O-N 3.23Å; H241-G243 VanDerWaalsContact O-N 3.15Å; H241-H244 WeakPolarHBondContact O-CB 3.43Å; H241-H244 PolarHBondContact O-N 2.98Å
242	Q	81.5	Confident	83.2	Confident	131 Å²	131	70.5 Å²	70.5	61%	0.612	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	117.6	178.9	-170.3	179.2	56.8	0	0	110.7	K236 E237 G239	K236-Q242 WeakPolarHBondContact O-CA 3.23Å; E237-Q242 PolarHBondContact O-NE2 3.24Å; G239-Q242 WeakPolarHBondContact O-CB 3.26Å; G239-Q242 PolarHBondContact O-N 2.91Å; G239-Q242 VanDerWaalsContact O-N 3.14Å
243	G	79.4	Confident	83.1	Confident	80 Å²	80	71.6 Å²	71.6	83%	0.825	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	-3.6	-178.2	0	0	0	0	0	115.8	H241	H241-G243 PolarHBondContact O-N 3.23Å; H241-G243 VanDerWaalsContact O-N 3.15Å
244	H	87.6	Confident	83.1	Confident	56 Å²	56	74.3 Å²	74.3	26%	0.259	39%	0.386	S	S	.	.			trans	-75.2	153.4	176.7	-65.2	-177.8	0	0	0	112.4	C220 E222 K240 H241 H246	C220-H244 PolarHBondContact SG-ND1 3.35Å; E222-H244 HydrophobicContact CB-CB 4.27Å; E222-H244 VanDerWaalsContact OE2-CA 3.29Å; E222-H244 WeakPolarHBondContact OE2-CA 3.35Å; E222-H244 IonicContact OE2-CG 3.44Å; K240-H244 PolarHBondContact O-CE1 3.48Å; H241-H244 WeakPolarHBondContact O-CB 3.43Å; H241-H244 PolarHBondContact O-N 2.98Å; H244-H246 PolarHBondContact O-CE1 3.15Å
245	K	86.5	Confident	83.2	Confident	141 Å²	141	78.6 Å²	78.6	61%	0.613	40%	0.404	S	S	*	.			trans	-67	139.5	170.5	-167.9	-179.8	176.4	-171.9	0	110.4	L221 E222	L221-K245 HydrophobicContact CB-CB 4.46Å; L221-K245 HydrophobicContact CB-CG 4.33Å; L221-K245 HydrophobicContact CD1-CG 4.42Å; L221-K245 PolarHBondContact N-O 3.45Å; E222-K245 PolarHBondContact OE2-N 2.83Å
246	H	87.6	Confident	83.3	Confident	93 Å²	93	83.1 Å²	83.1	43%	0.431	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	161.4	-175.1	68	-63.6	0	0	0	113.3	F218 V219 M231 H244	F218-H246 AromaticContact CD1-CD2 3.81Å; V219-H246 CarbonylContact O-C 3.51Å; V219-H246 WeakPolarHBondContact O-CA 3.47Å; V219-H246 WeakPolarHBondContact O-CB 3.39Å; M231-H246 HydrophobicContact CE-CB 3.3Å; H244-H246 PolarHBondContact O-CE1 3.15Å
247	A	88.6	Confident	83.4	Confident	19 Å²	19	86.9 Å²	86.9	16%	0.157	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	172.9	171.3	0	0	0	0	0	110.7	F218 V219 L221 E252	F218-A247 CarbonylContact C-O 3.49Å; F218-A247 VanDerWaalsContact CA-O 3.25Å; F218-A247 WeakPolarHBondContact CA-O 3.37Å; F218-A247 WeakPolarHBondContact CB-O 3.43Å; V219-A247 PolarHBondContact N-O 3.45Å; V219-A247 PolarHBondContact O-N 2.98Å; L221-A247 HydrophobicContact CD1-CB 3.86Å; L221-A247 HydrophobicContact CG-CB 4.38Å; A247-E252 HydrophobicContact CB-CG 3.6Å; A247-E252 WeakPolarHBondContact CB-OE1 3.35Å
248	L	87.4	Confident	83.6	Confident	95 Å²	95	84.4 Å²	84.4	50%	0.497	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	137.6	173	-71.3	168.2	0	0	0	110	F218 E250 T251 E252	F218-L248 HydrophobicContact CD1-CD2 3.92Å; F218-L248 HydrophobicContact CE1-CD2 3.65Å; F218-L248 HydrophobicContact CZ-CD2 4.49Å; L248-E250 PolarHBondContact O-N 3.25Å; L248-T251 PolarHBondContact O-N 3.5Å; L248-T251 VanDerWaalsContact O-N 3.11Å; L248-E252 PolarHBondContact O-N 3.26Å; L248-E252 VanDerWaalsContact O-N 3.16Å
249	L	84.6	Confident	84.2	Confident	54 Å²	54	78.8 Å²	78.8	28%	0.283	42%	0.422	S	S	.	.	H	α-helix	trans	-56.5	-39.5	-179.6	174.7	63.8	0	0	0	112.3	I216 E217 V219 L230 A253	I216-L249 HydrophobicContact CG2-CD2 4.09Å; E217-L249 WeakPolarHBondContact O-CB 3.39Å; E217-L249 PolarHBondContact O-N 2.85Å; V219-L249 HydrophobicContact CG2-CB 4.17Å; V219-L249 HydrophobicContact CG2-CD1 3.45Å; V219-L249 VanDerWaalsContact CG2-CD1 3.45Å; V219-L249 HydrophobicContact CG2-CG 4.43Å; L230-L249 HydrophobicContact CD2-CD1 3.74Å; L249-A253 WeakPolarHBondContact O-CB 3.35Å; L249-A253 PolarHBondContact O-N 3.18Å
250	E	81.4	Confident	84.5	Confident	135 Å²	135	82 Å²	82	63%	0.631	43%	0.433	S	S	*	.	H	α-helix	trans	-64.7	-40.2	178.9	-64.9	177.4	-178.6	0	0	112.2	L248 N254	L248-E250 PolarHBondContact O-N 3.25Å; E250-N254 VanDerWaalsContact O-CB 3.26Å; E250-N254 WeakPolarHBondContact O-CB 3.38Å; E250-N254 PolarHBondContact O-N 3.09Å; E250-N254 PolarHBondContact O-ND2 2.9Å
251	T	83.3	Confident	84.9	Confident	78 Å²	78	81.3 Å²	81.3	48%	0.479	44%	0.435	S	S	.	.	H	α-helix	trans	-66.7	-50.7	179.6	-49.7	0	0	0	0	111.1	L248 N254 Q255	L248-T251 PolarHBondContact O-N 3.5Å; L248-T251 VanDerWaalsContact O-N 3.11Å; T251-N254 PolarHBondContact O-N 3.42Å; T251-Q255 PolarHBondContact O-N 3.22Å
252	E	86.1	Confident	85.2	Confident	37 Å²	37	86 Å²	86	17%	0.173	46%	0.46	C	S	.	.	H	α-helix	trans	-65.9	-42.3	178.8	-65.4	-60.9	146.2	0	0	111.8	V219 L221 A247 L248 N254 Q255 I256	V219-E252 HydrophobicContact CB-CB 4.45Å; V219-E252 HydrophobicContact CB-CG 4.19Å; V219-E252 HydrophobicContact CG1-CG 4.44Å; V219-E252 HydrophobicContact CG2-CB 4.35Å; L221-E252 HydrophobicContact CD2-CG 4.13Å; A247-E252 HydrophobicContact CB-CG 3.6Å; A247-E252 WeakPolarHBondContact CB-OE1 3.35Å; L248-E252 PolarHBondContact O-N 3.26Å; L248-E252 VanDerWaalsContact O-N 3.16Å; E252-N254 VanDerWaalsContact C-N 3.3Å; E252-N254 PolarHBondContact O-N 2.87Å; E252-Q255 PolarHBondContact O-N 3.39Å; E252-I256 WeakPolarHBondContact O-CB 3.25Å; E252-I256 VanDerWaalsContact O-CG1 3.28Å; E252-I256 WeakPolarHBondContact O-CG1 3.38Å; E252-I256 PolarHBondContact O-N 2.81Å
253	A	82.9	Confident	85.6	Confident	23 Å²	23	84.8 Å²	84.8	19%	0.19	46%	0.456	C	S	.	.	H	α-helix	trans	-62.6	-37.3	176.5	0	0	0	0	0	111.9	L249 R257	L249-A253 WeakPolarHBondContact O-CB 3.35Å; L249-A253 PolarHBondContact O-N 3.18Å; A253-R257 WeakPolarHBondContact O-CB 3.08Å; A253-R257 WeakPolarHBondContact O-CD 3.27Å; A253-R257 WeakPolarHBondContact O-CG 3.39Å; A253-R257 PolarHBondContact O-N 3.27Å
254	N	84.3	Confident	85.8	Confident	91 Å²	91	82.5 Å²	82.5	49%	0.487	43%	0.429	S	S	.	.	H	α-helix	trans	-70.7	-37.6	175.4	-72.2	-17.8	0	0	0	112.3	E250 T251 E252 R257 A258	E250-N254 VanDerWaalsContact O-CB 3.26Å; E250-N254 WeakPolarHBondContact O-CB 3.38Å; E250-N254 PolarHBondContact O-N 3.09Å; E250-N254 PolarHBondContact O-ND2 2.9Å; T251-N254 PolarHBondContact O-N 3.42Å; E252-N254 VanDerWaalsContact C-N 3.3Å; E252-N254 PolarHBondContact O-N 2.87Å; N254-R257 PolarHBondContact O-N 3.26Å; N254-R257 PolarHBondContact OD1-NH1 3.47Å; N254-A258 WeakPolarHBondContact O-CB 3.3Å; N254-A258 PolarHBondContact O-N 2.81Å
255	Q	85.7	Confident	85.7	Confident	125 Å²	125	85 Å²	85	58%	0.584	44%	0.441	S	S	*	.	H	α-helix	trans	-65.7	-42.2	174.2	-175.5	168	-11.1	0	0	112.1	T251 E252 A258 S259	T251-Q255 PolarHBondContact O-N 3.22Å; E252-Q255 PolarHBondContact O-N 3.39Å; Q255-A258 PolarHBondContact O-N 2.91Å; Q255-S259 PolarHBondContact O-N 2.84Å
256	I	84.6	Confident	86	Confident	98 Å²	98	82.3 Å²	82.3	50%	0.503	44%	0.438	S	S	.	.	H	α-helix	trans	-64.5	-43.1	174.5	-68.3	165.3	0	0	0	110.7	E252 A258 S259 I260	E252-I256 WeakPolarHBondContact O-CB 3.25Å; E252-I256 VanDerWaalsContact O-CG1 3.28Å; E252-I256 WeakPolarHBondContact O-CG1 3.38Å; E252-I256 PolarHBondContact O-N 2.81Å; I256-A258 PolarHBondContact O-N 2.9Å; I256-S259 PolarHBondContact O-N 3.04Å; I256-I260 HydrophobicContact CG2-CD1 3.75Å; I256-I260 HydrophobicContact CG2-CG1 4.43Å; I256-I260 VanDerWaalsContact O-CG1 3.28Å; I256-I260 WeakPolarHBondContact O-CG1 3.26Å; I256-I260 PolarHBondContact O-N 2.83Å
257	R	84.2	Confident	86.2	Confident	130 Å²	130	83.1 Å²	83.1	49%	0.491	45%	0.445	S	S	.	.	H	α-helix	trans	-59.3	-44.9	174.4	-76	165.2	-173.6	144.3	-1.4	112	A253 N254 I260 L261	A253-R257 WeakPolarHBondContact O-CB 3.08Å; A253-R257 WeakPolarHBondContact O-CD 3.27Å; A253-R257 WeakPolarHBondContact O-CG 3.39Å; A253-R257 PolarHBondContact O-N 3.27Å; N254-R257 PolarHBondContact O-N 3.26Å; N254-R257 PolarHBondContact OD1-NH1 3.47Å; R257-I260 PolarHBondContact O-N 2.62Å; R257-L261 WeakPolarHBondContact O-CG 3.28Å; R257-L261 PolarHBondContact O-N 3.06Å
258	A	84.8	Confident	86.1	Confident	46 Å²	46	88.7 Å²	88.7	38%	0.38	46%	0.462	S	S	.	.	H	α-helix	trans	-59.7	-49.2	176.3	0	0	0	0	0	111.2	N254 Q255 I256 I260 L261 D262	N254-A258 WeakPolarHBondContact O-CB 3.3Å; N254-A258 PolarHBondContact O-N 2.81Å; Q255-A258 PolarHBondContact O-N 2.91Å; I256-A258 PolarHBondContact O-N 2.9Å; A258-I260 VanDerWaalsContact C-N 3.31Å; A258-I260 PolarHBondContact O-N 3.38Å; A258-L261 WeakPolarHBondContact O-CB 3.49Å; A258-L261 PolarHBondContact O-N 2.69Å; A258-D262 PolarHBondContact O-N 3Å
259	S	91.3	Very high	86.3	Confident	61 Å²	61	86.8 Å²	86.8	43%	0.427	45%	0.454	S	S	.	.	H	α-helix	trans	-60	-37.4	176.6	-179.6	0	0	0	0	113.2	Q255 I256 D262 M263	Q255-S259 PolarHBondContact O-N 2.84Å; I256-S259 PolarHBondContact O-N 3.04Å; S259-D262 PolarHBondContact O-N 2.94Å; S259-M263 WeakPolarHBondContact O-CB 3.02Å; S259-M263 WeakPolarHBondContact O-CG 3.33Å; S259-M263 PolarHBondContact O-N 3.22Å
260	I	86.1	Confident	86.7	Confident	93 Å²	93	90.5 Å²	90.5	48%	0.477	47%	0.468	S	S	.	.	H	α-helix	trans	-66.6	-39.5	174.3	-69.9	166.9	0	0	0	111.4	I256 R257 A258 M263 A264	I256-I260 HydrophobicContact CG2-CD1 3.75Å; I256-I260 HydrophobicContact CG2-CG1 4.43Å; I256-I260 VanDerWaalsContact O-CG1 3.28Å; I256-I260 WeakPolarHBondContact O-CG1 3.26Å; I256-I260 PolarHBondContact O-N 2.83Å; R257-I260 PolarHBondContact O-N 2.62Å; A258-I260 VanDerWaalsContact C-N 3.31Å; A258-I260 PolarHBondContact O-N 3.38Å; I260-M263 HydrophobicContact CG1-CE 4.02Å; I260-A264 VanDerWaalsContact O-CB 3.25Å; I260-A264 WeakPolarHBondContact O-CB 3.42Å; I260-A264 PolarHBondContact O-N 3.38Å
261	L	84.1	Confident	87	Confident	117 Å²	117	87.5 Å²	87.5	61%	0.613	46%	0.459	S	S	*	.	H	α-helix	trans	-65.2	-41.6	175.8	-71.6	169.1	0	0	0	111.7	R257 A258 A264 H265	R257-L261 WeakPolarHBondContact O-CG 3.28Å; R257-L261 PolarHBondContact O-N 3.06Å; A258-L261 WeakPolarHBondContact O-CB 3.49Å; A258-L261 PolarHBondContact O-N 2.69Å; L261-A264 PolarHBondContact O-N 2.84Å; L261-H265 PolarHBondContact O-N 2.81Å
262	D	87.9	Confident	87.4	Confident	104 Å²	104	88.9 Å²	88.9	56%	0.556	46%	0.463	S	S	*	.	H	α-helix	trans	-63.2	-48.9	175.5	-66.3	-27.2	0	0	0	111.1	A258 S259 A264 H265 C266	A258-D262 PolarHBondContact O-N 3Å; S259-D262 PolarHBondContact O-N 2.94Å; D262-A264 VanDerWaalsContact C-N 3.32Å; D262-A264 PolarHBondContact O-N 2.9Å; D262-H265 WeakPolarHBondContact O-CB 3.18Å; D262-H265 PolarHBondContact O-N 2.79Å; D262-H265 VanDerWaalsContact O-N 3.09Å; D262-C266 PolarHBondContact O-N 2.89Å; D262-C266 PolarHBondContact O-SG 2.75Å; D262-C266 VanDerWaalsContact O-SG 3.42Å
263	M	89.9	Confident	87.7	Confident	105 Å²	105	91.9 Å²	91.9	52%	0.517	48%	0.478	S	S	.	.	H	α-helix	trans	-58.6	-43.2	174.6	-74.6	-170.7	-64.7	0	0	111.9	S259 I260 H265 C266 I267	S259-M263 WeakPolarHBondContact O-CB 3.02Å; S259-M263 WeakPolarHBondContact O-CG 3.33Å; S259-M263 PolarHBondContact O-N 3.22Å; I260-M263 HydrophobicContact CG1-CE 4.02Å; M263-H265 VanDerWaalsContact C-N 3.27Å; M263-H265 PolarHBondContact O-N 3.22Å; M263-C266 PolarHBondContact O-N 2.88Å; M263-I267 VanDerWaalsContact O-CG1 3.27Å; M263-I267 WeakPolarHBondContact O-CG1 3.12Å; M263-I267 PolarHBondContact O-N 3.41Å
264	A	83.2	Confident	88.2	Confident	31 Å²	31	94.2 Å²	94.2	26%	0.256	49%	0.489	S	S	.	.	H	α-helix	trans	-64.9	-31.6	177.2	0	0	0	0	0	112.1	I260 L261 D262 R268	I260-A264 VanDerWaalsContact O-CB 3.25Å; I260-A264 WeakPolarHBondContact O-CB 3.42Å; I260-A264 PolarHBondContact O-N 3.38Å; L261-A264 PolarHBondContact O-N 2.84Å; D262-A264 VanDerWaalsContact C-N 3.32Å; D262-A264 PolarHBondContact O-N 2.9Å; A264-R268 WeakPolarHBondContact O-CG 3.49Å; A264-R268 VanDerWaalsContact O-CZ 3.31Å; A264-R268 PolarHBondContact O-N 3.23Å; A264-R268 PolarHBondContact O-NH1 2.68Å; A264-R268 VanDerWaalsContact O-NH1 3.14Å
265	H	86.1	Confident	88.4	Confident	110 Å²	110	92.5 Å²	92.5	51%	0.509	49%	0.485	S	S	.	.	H	α-helix	trans	-68.2	-49.3	171.8	-176.2	40.9	0	0	0	111.6	L261 D262 M263 I267 R268 T269	L261-H265 PolarHBondContact O-N 2.81Å; D262-H265 WeakPolarHBondContact O-CB 3.18Å; D262-H265 PolarHBondContact O-N 2.79Å; D262-H265 VanDerWaalsContact O-N 3.09Å; M263-H265 VanDerWaalsContact C-N 3.27Å; M263-H265 PolarHBondContact O-N 3.22Å; H265-I267 VanDerWaalsContact C-N 3.3Å; H265-I267 PolarHBondContact O-N 2.88Å; H265-R268 PolarHBondContact O-N 3.27Å; H265-R268 VanDerWaalsContact O-N 3.1Å; H265-T269 PolarHBondContact O-N 3.27Å; H265-T269 PolarHBondContact O-OG1 2.97Å
266	C	92.3	Very high	88.7	Confident	84 Å²	84	90.5 Å²	90.5	57%	0.568	48%	0.475	S	S	*	.	H	α-helix	trans	-57	-41.3	176.3	-65.2	0	0	0	0	112.7	D262 M263 R268 T269 F270	D262-C266 PolarHBondContact O-N 2.89Å; D262-C266 PolarHBondContact O-SG 2.75Å; D262-C266 VanDerWaalsContact O-SG 3.42Å; M263-C266 PolarHBondContact O-N 2.88Å; C266-R268 PolarHBondContact O-N 3.27Å; C266-T269 PolarHBondContact O-N 2.86Å; C266-F270 WeakPolarHBondContact O-CB 3.35Å; C266-F270 PolarHBondContact O-N 2.81Å
267	I	90.9	Very high	89.2	Confident	110 Å²	110	93.1 Å²	93.1	56%	0.564	48%	0.48	S	S	*	.	H	α-helix	trans	-63	-40.8	176.9	-69.8	164.6	0	0	0	111.3	M263 H265 T271	M263-I267 VanDerWaalsContact O-CG1 3.27Å; M263-I267 WeakPolarHBondContact O-CG1 3.12Å; M263-I267 PolarHBondContact O-N 3.41Å; H265-I267 VanDerWaalsContact C-N 3.3Å; H265-I267 PolarHBondContact O-N 2.88Å; I267-T271 WeakPolarHBondContact O-CB 3.45Å; I267-T271 PolarHBondContact O-N 3.19Å; I267-T271 PolarHBondContact O-OG1 3.49Å
268	R	87.1	Confident	89.5	Confident	136 Å²	136	90.1 Å²	90.1	51%	0.513	48%	0.478	S	S	.	.	H	α-helix	trans	-63.1	-51.9	175.6	-74.3	-174.3	-63.5	-87	2.3	111.2	A264 H265 C266 F270 T271 D272	A264-R268 WeakPolarHBondContact O-CG 3.49Å; A264-R268 VanDerWaalsContact O-CZ 3.31Å; A264-R268 PolarHBondContact O-N 3.23Å; A264-R268 PolarHBondContact O-NH1 2.68Å; A264-R268 VanDerWaalsContact O-NH1 3.14Å; H265-R268 PolarHBondContact O-N 3.27Å; H265-R268 VanDerWaalsContact O-N 3.1Å; C266-R268 PolarHBondContact O-N 3.27Å; R268-F270 VanDerWaalsContact C-N 3.33Å; R268-F270 PolarHBondContact O-N 3.06Å; R268-T271 WeakPolarHBondContact O-CA 3.29Å; R268-T271 WeakPolarHBondContact O-CB 3.45Å; R268-T271 PolarHBondContact O-N 3.04Å; R268-D272 PolarHBondContact O-N 3.21Å
269	T	90.9	Very high	89.8	Confident	55 Å²	55	95.7 Å²	95.7	34%	0.337	49%	0.49	S	S	.	.	H	α-helix	trans	-56.7	-45.3	178.9	-54.6	0	0	0	0	112	H265 C266 T271 D272 E273	H265-T269 PolarHBondContact O-N 3.27Å; H265-T269 PolarHBondContact O-OG1 2.97Å; C266-T269 PolarHBondContact O-N 2.86Å; T269-T271 VanDerWaalsContact C-N 3.31Å; T269-T271 PolarHBondContact O-N 3.15Å; T269-D272 PolarHBondContact O-N 3.43Å; T269-E273 WeakPolarHBondContact O-CG 3.23Å; T269-E273 PolarHBondContact O-N 2.97Å
270	F	92.8	Very high	89.9	Confident	132 Å²	132	97.6 Å²	97.6	58%	0.579	49%	0.49	S	S	*	.	H	α-helix	trans	-63.2	-36	175.8	-179.7	-109.1	0	0	0	112.7	C266 R268 E273 V274	C266-F270 WeakPolarHBondContact O-CB 3.35Å; C266-F270 PolarHBondContact O-N 2.81Å; R268-F270 VanDerWaalsContact C-N 3.33Å; R268-F270 PolarHBondContact O-N 3.06Å; F270-E273 PolarHBondContact O-N 2.86Å; F270-V274 HydrophobicContact CD1-CG2 4.29Å; F270-V274 HydrophobicContact CD2-CG2 4.31Å; F270-V274 HydrophobicContact CE1-CG2 3.85Å; F270-V274 HydrophobicContact CE2-CG2 3.87Å; F270-V274 HydrophobicContact CZ-CG2 3.63Å; F270-V274 WeakPolarHBondContact O-CB 3.22Å; F270-V274 VanDerWaalsContact O-CG2 3.28Å; F270-V274 WeakPolarHBondContact O-CG2 3.4Å; F270-V274 PolarHBondContact O-N 3.44Å
271	T	89.7	Confident	90.1	Very high	71 Å²	71	98.7 Å²	98.7	44%	0.436	50%	0.496	S	S	.	.	H	α-helix	trans	-65.8	-39.1	175.9	-56.8	0	0	0	0	111.6	I267 R268 T269 S275	I267-T271 WeakPolarHBondContact O-CB 3.45Å; I267-T271 PolarHBondContact O-N 3.19Å; I267-T271 PolarHBondContact O-OG1 3.49Å; R268-T271 WeakPolarHBondContact O-CA 3.29Å; R268-T271 WeakPolarHBondContact O-CB 3.45Å; R268-T271 PolarHBondContact O-N 3.04Å; T269-T271 VanDerWaalsContact C-N 3.31Å; T269-T271 PolarHBondContact O-N 3.15Å; T271-S275 VanDerWaalsContact O-CB 3.29Å; T271-S275 WeakPolarHBondContact O-CB 3.49Å; T271-S275 PolarHBondContact O-N 3.34Å; T271-S275 PolarHBondContact O-OG 3.2Å
272	D	90.3	Very high	90.3	Very high	107 Å²	107	97.5 Å²	97.5	57%	0.572	49%	0.494	S	S	*	.	H	α-helix	trans	-66.2	-45	176.4	-65.6	-34.8	0	0	0	111.4	R268 T269 S275 E276	R268-D272 PolarHBondContact O-N 3.21Å; T269-D272 PolarHBondContact O-N 3.43Å; D272-S275 WeakPolarHBondContact O-CB 3.29Å; D272-S275 PolarHBondContact O-N 2.75Å; D272-E276 PolarHBondContact O-N 2.92Å
273	E	92.8	Very high	90.2	Very high	101 Å²	101	93.9 Å²	93.9	47%	0.472	48%	0.481	S	S	.	.	H	α-helix	trans	-58.2	-51.4	174.5	-72.7	176.8	-173.9	0	0	111.7	T269 F270 S275 E276 Y277	T269-E273 WeakPolarHBondContact O-CG 3.23Å; T269-E273 PolarHBondContact O-N 2.97Å; F270-E273 PolarHBondContact O-N 2.86Å; E273-S275 VanDerWaalsContact C-N 3.26Å; E273-S275 PolarHBondContact O-N 2.79Å; E273-E276 WeakPolarHBondContact O-CB 3.49Å; E273-E276 PolarHBondContact O-N 3.33Å; E273-E276 VanDerWaalsContact O-N 3.1Å; E273-Y277 VanDerWaalsContact O-CD2 3.24Å; E273-Y277 WeakPolarHBondContact O-CD2 3.5Å; E273-Y277 PolarHBondContact O-N 3.47Å
274	V	93.1	Very high	90.2	Very high	71 Å²	71	93 Å²	93	43%	0.43	48%	0.477	S	S	.	.	H	α-helix	trans	-59.6	-38.3	177.4	169.7	0	0	0	0	111.2	F270 Y277 S278	F270-V274 HydrophobicContact CD1-CG2 4.29Å; F270-V274 HydrophobicContact CD2-CG2 4.31Å; F270-V274 HydrophobicContact CE1-CG2 3.85Å; F270-V274 HydrophobicContact CE2-CG2 3.87Å; F270-V274 HydrophobicContact CZ-CG2 3.63Å; F270-V274 WeakPolarHBondContact O-CB 3.22Å; F270-V274 VanDerWaalsContact O-CG2 3.28Å; F270-V274 WeakPolarHBondContact O-CG2 3.4Å; F270-V274 PolarHBondContact O-N 3.44Å; V274-Y277 PolarHBondContact O-N 3.32Å; V274-S278 WeakPolarHBondContact O-CB 3.48Å; V274-S278 PolarHBondContact O-N 3.02Å
275	S	89.3	Confident	90.4	Very high	56 Å²	56	94.9 Å²	94.9	39%	0.392	49%	0.486	S	S	.	.	H	α-helix	trans	-67.6	-34.1	176.5	-60.7	0	0	0	0	112.5	T271 D272 E273 R279	T271-S275 VanDerWaalsContact O-CB 3.29Å; T271-S275 WeakPolarHBondContact O-CB 3.49Å; T271-S275 PolarHBondContact O-N 3.34Å; T271-S275 PolarHBondContact O-OG 3.2Å; D272-S275 WeakPolarHBondContact O-CB 3.29Å; D272-S275 PolarHBondContact O-N 2.75Å; E273-S275 VanDerWaalsContact C-N 3.26Å; E273-S275 PolarHBondContact O-N 2.79Å; S275-R279 WeakPolarHBondContact O-CG 3.47Å; S275-R279 PolarHBondContact O-N 2.89Å; S275-R279 VanDerWaalsContact O-N 3.14Å; S275-R279 PolarHBondContact O-NE 3.01Å
276	E	92.1	Very high	90.4	Very high	83 Å²	83	95.7 Å²	95.7	39%	0.388	49%	0.49	S	S	.	.	H	α-helix	trans	-69.4	-44.5	172.2	-164.8	-172.8	143.6	0	0	112.3	D272 E273 S278 R279 K280	D272-E276 PolarHBondContact O-N 2.92Å; E273-E276 WeakPolarHBondContact O-CB 3.49Å; E273-E276 PolarHBondContact O-N 3.33Å; E273-E276 VanDerWaalsContact O-N 3.1Å; E276-S278 VanDerWaalsContact C-N 3.32Å; E276-S278 PolarHBondContact O-N 2.95Å; E276-R279 VanDerWaalsContact CA-NH2 3.34Å; E276-R279 PolarHBondContact O-N 2.85Å; E276-K280 WeakPolarHBondContact O-CG 3.29Å; E276-K280 PolarHBondContact O-N 3.43Å; E276-K280 WeakPolarHBondContact OE1-CE 2.89Å; E276-K280 IonicContact OE1-NZ 2.68Å; E276-K280 PolarHBondContact OE1-NZ 2.99Å
277	Y	93.9	Very high	90.2	Very high	153 Å²	153	98.1 Å²	98.1	60%	0.6	49%	0.493	S	S	*	.	H	α-helix	trans	-61.2	-40.5	174.2	-81.2	-71.6	0	0	0	112	E273 V274 K280 L281	E273-Y277 VanDerWaalsContact O-CD2 3.24Å; E273-Y277 WeakPolarHBondContact O-CD2 3.5Å; E273-Y277 PolarHBondContact O-N 3.47Å; V274-Y277 PolarHBondContact O-N 3.32Å; Y277-K280 PolarHBondContact O-N 2.92Å; Y277-L281 WeakPolarHBondContact O-CG 3.31Å; Y277-L281 PolarHBondContact O-N 2.9Å
278	S	91.4	Very high	90	Very high	66 Å²	66	96.9 Å²	96.9	46%	0.462	49%	0.486	S	S	.	.	H	α-helix	trans	-59.5	-46.8	174.5	-171.9	0	0	0	0	112	V274 E276 K280 L281 V282	V274-S278 WeakPolarHBondContact O-CB 3.48Å; V274-S278 PolarHBondContact O-N 3.02Å; E276-S278 VanDerWaalsContact C-N 3.32Å; E276-S278 PolarHBondContact O-N 2.95Å; S278-K280 PolarHBondContact O-N 2.95Å; S278-L281 PolarHBondContact O-N 3.33Å; S278-V282 WeakPolarHBondContact O-CG2 3.41Å; S278-V282 PolarHBondContact O-N 3.25Å
279	R	90.3	Very high	89.9	Confident	164 Å²	164	97.1 Å²	97.1	62%	0.619	49%	0.493	S	S	*	.	H	α-helix	trans	-59.9	-41.5	174.6	-75.8	179.9	-73.9	117.6	-7.3	112.6	S275 E276 V282 G283	S275-R279 WeakPolarHBondContact O-CG 3.47Å; S275-R279 PolarHBondContact O-N 2.89Å; S275-R279 VanDerWaalsContact O-N 3.14Å; S275-R279 PolarHBondContact O-NE 3.01Å; E276-R279 VanDerWaalsContact CA-NH2 3.34Å; E276-R279 PolarHBondContact O-N 2.85Å; R279-V282 PolarHBondContact O-N 2.95Å; R279-G283 PolarHBondContact O-N 2.99Å
280	K	93.4	Very high	89.5	Confident	101 Å²	101	95.2 Å²	95.2	44%	0.439	49%	0.485	S	S	.	.	H	α-helix	trans	-63	-42.8	175.8	-72.3	171.6	-176.9	166.3	0	112.1	E276 Y277 S278 G283 I284	E276-K280 WeakPolarHBondContact O-CG 3.29Å; E276-K280 PolarHBondContact O-N 3.43Å; E276-K280 WeakPolarHBondContact OE1-CE 2.89Å; E276-K280 IonicContact OE1-NZ 2.68Å; E276-K280 PolarHBondContact OE1-NZ 2.99Å; Y277-K280 PolarHBondContact O-N 2.92Å; S278-K280 PolarHBondContact O-N 2.95Å; K280-G283 PolarHBondContact O-N 3.01Å; K280-I284 WeakPolarHBondContact O-CG1 3.16Å; K280-I284 PolarHBondContact O-N 2.8Å
281	L	91	Very high	88.8	Confident	115 Å²	115	90.2 Å²	90.2	60%	0.602	47%	0.47	S	S	*	.	H	α-helix	trans	-62.7	-45.7	177.1	-72.1	172.4	0	0	0	111.8	Y277 S278 G283 I284 V285	Y277-L281 WeakPolarHBondContact O-CG 3.31Å; Y277-L281 PolarHBondContact O-N 2.9Å; S278-L281 PolarHBondContact O-N 3.33Å; L281-G283 VanDerWaalsContact C-N 3.33Å; L281-G283 PolarHBondContact O-N 3.43Å; L281-I284 PolarHBondContact O-N 2.9Å; L281-V285 WeakPolarHBondContact O-CG2 3.48Å; L281-V285 PolarHBondContact O-N 2.84Å
282	V	88.1	Confident	87.8	Confident	93 Å²	93	93.7 Å²	93.7	56%	0.564	48%	0.482	S	S	*	.	H	α-helix	trans	-59.3	-44	175.9	173.2	0	0	0	0	111.3	S278 R279 I284 V285 Q286	S278-V282 WeakPolarHBondContact O-CG2 3.41Å; S278-V282 PolarHBondContact O-N 3.25Å; R279-V282 PolarHBondContact O-N 2.95Å; V282-I284 VanDerWaalsContact C-N 3.35Å; V282-I284 PolarHBondContact O-N 3.23Å; V282-V285 PolarHBondContact O-N 3.14Å; V282-Q286 PolarHBondContact O-N 2.92Å
283	G	86.5	Confident	86.7	Confident	27 Å²	27	94.3 Å²	94.3	28%	0.278	48%	0.481	S	S	.	.	H	α-helix	trans	-61	-39.1	176	0	0	0	0	0	113.6	R279 K280 L281 Q286 Q287	R279-G283 PolarHBondContact O-N 2.99Å; K280-G283 PolarHBondContact O-N 3.01Å; L281-G283 VanDerWaalsContact C-N 3.33Å; L281-G283 PolarHBondContact O-N 3.43Å; G283-Q286 PolarHBondContact O-N 2.79Å; G283-Q287 WeakPolarHBondContact O-CG 3.35Å; G283-Q287 PolarHBondContact O-N 3.06Å
284	I	89.8	Confident	85.5	Confident	86 Å²	86	95 Å²	95	44%	0.441	49%	0.486	S	S	.	.	H	α-helix	trans	-67.5	-42	175.6	-68.6	166.5	0	0	0	111.1	K280 L281 V282 Q286 Q287 I288	K280-I284 WeakPolarHBondContact O-CG1 3.16Å; K280-I284 PolarHBondContact O-N 2.8Å; L281-I284 PolarHBondContact O-N 2.9Å; V282-I284 VanDerWaalsContact C-N 3.35Å; V282-I284 PolarHBondContact O-N 3.23Å; I284-Q286 VanDerWaalsContact C-N 3.35Å; I284-Q286 PolarHBondContact O-N 3.07Å; I284-Q287 PolarHBondContact O-N 3.03Å; I284-I288 HydrophobicContact CG2-CD1 3.83Å; I284-I288 HydrophobicContact CG2-CG1 4.5Å; I284-I288 WeakPolarHBondContact O-CG1 3.07Å; I284-I288 PolarHBondContact O-N 3.45Å
285	V	87.5	Confident	84.3	Confident	72 Å²	72	94 Å²	94	44%	0.436	48%	0.481	S	S	.	.	H	α-helix	trans	-59.6	-46.8	175.8	173.1	0	0	0	0	110.4	L281 V282 Q287 I288 E289	L281-V285 WeakPolarHBondContact O-CG2 3.48Å; L281-V285 PolarHBondContact O-N 2.84Å; V282-V285 PolarHBondContact O-N 3.14Å; V285-Q287 VanDerWaalsContact C-N 3.32Å; V285-Q287 PolarHBondContact O-N 2.8Å; V285-I288 PolarHBondContact O-N 3Å; V285-E289 HydrophobicContact CG1-CG 4.21Å; V285-E289 WeakPolarHBondContact CG1-OE2 3.28Å; V285-E289 PolarHBondContact O-N 3.38Å
286	Q	85.8	Confident	83.3	Confident	126 Å²	126	98.6 Å²	98.6	59%	0.589	50%	0.496	S	S	*	.	H	α-helix	trans	-62.2	-35.3	176.9	-167.4	177	9.8	0	0	112.9	V282 G283 I284 I288 G290	V282-Q286 PolarHBondContact O-N 2.92Å; G283-Q286 PolarHBondContact O-N 2.79Å; I284-Q286 VanDerWaalsContact C-N 3.35Å; I284-Q286 PolarHBondContact O-N 3.07Å; Q286-I288 VanDerWaalsContact C-N 3.32Å; Q286-I288 PolarHBondContact O-N 2.91Å; Q286-G290 CarbonylContact O-C 3.55Å; Q286-G290 VanDerWaalsContact O-CA 3.31Å; Q286-G290 WeakPolarHBondContact O-CA 3.36Å; Q286-G290 PolarHBondContact O-N 3.09Å
287	Q	86.4	Confident	81.9	Confident	136 Å²	136	98.9 Å²	98.9	64%	0.636	50%	0.5	S	S	*	.	H	α-helix	trans	-70	-26.3	173.4	-73.9	175.3	0.2	0	0	113.5	G283 I284 V285 T310	G283-Q287 WeakPolarHBondContact O-CG 3.35Å; G283-Q287 PolarHBondContact O-N 3.06Å; I284-Q287 PolarHBondContact O-N 3.03Å; V285-Q287 VanDerWaalsContact C-N 3.32Å; V285-Q287 PolarHBondContact O-N 2.8Å; Q287-T310 WeakPolarHBondContact O-CG2 3.36Å; Q287-T310 PolarHBondContact O-N 2.89Å; Q287-T310 PolarHBondContact O-OG1 3.05Å
288	I	87.4	Confident	80.5	Confident	84 Å²	84	98 Å²	98	43%	0.431	52%	0.517	S	S	.	.	H	α-helix	trans	-80.8	-51.3	177.3	-69.4	169.5	0	0	0	110.4	I284 V285 Q286 T310 A311	I284-I288 HydrophobicContact CG2-CD1 3.83Å; I284-I288 HydrophobicContact CG2-CG1 4.5Å; I284-I288 WeakPolarHBondContact O-CG1 3.07Å; I284-I288 PolarHBondContact O-N 3.45Å; V285-I288 PolarHBondContact O-N 3Å; Q286-I288 VanDerWaalsContact C-N 3.32Å; Q286-I288 PolarHBondContact O-N 2.91Å; I288-T310 WeakPolarHBondContact CA-OG1 3.43Å; I288-T310 PolarHBondContact O-N 2.81Å; I288-A311 HydrophobicContact CG2-CB 4.16Å; I288-A311 WeakPolarHBondContact O-CB 3.27Å; I288-A311 PolarHBondContact O-N 3.11Å; I288-A311 VanDerWaalsContact O-N 3.08Å
289	E	84.9	Confident	79.3	Confident	140 Å²	140	102.2 Å²	102.2	65%	0.654	53%	0.532	S	S	*	.	H	α-helix	trans	-78.1	-35.2	-174.3	-63	-174.4	153.7	0	0	112.5	V285	V285-E289 HydrophobicContact CG1-CG 4.21Å; V285-E289 WeakPolarHBondContact CG1-OE2 3.28Å; V285-E289 PolarHBondContact O-N 3.38Å
290	G	82.5	Confident	77.9	Confident	16 Å²	16	97.2 Å²	97.2	17%	0.165	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	94.8	-156.5	-168.8	0	0	0	0	0	111.2	Q286 V307	Q286-G290 CarbonylContact O-C 3.55Å; Q286-G290 VanDerWaalsContact O-CA 3.31Å; Q286-G290 WeakPolarHBondContact O-CA 3.36Å; Q286-G290 PolarHBondContact O-N 3.09Å; G290-V307 WeakPolarHBondContact CA-O 3.25Å
291	G	77.6	Confident	76.1	Confident	26 Å²	26	99.1 Å²	99.1	27%	0.268	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-179	169.7	175.2	0	0	0	0	0	112.7	V307	G291-V307 PolarHBondContact N-O 3.49Å; G291-V307 WeakPolarHBondContact O-CB 3.38Å; G291-V307 PolarHBondContact O-N 2.94Å
292	E	70.3	Confident	74.6	Confident	145 Å²	145	96.6 Å²	96.6	68%	0.678	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	124.5	174.3	-64.4	179.9	179.9	0	0	109.7	T304 E305	E292-T304 HydrophobicContact CB-CG2 4.12Å; E292-E305 WeakPolarHBondContact CA-O 3.25Å
293	Q	66.3	Low	73.8	Confident	119 Å²	119	95.1 Å²	95.1	56%	0.556	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	126.4	171.5	-174.7	164.8	5.8	0	0	108.7	V295 E305 V307	Q293-V295 PolarHBondContact O-N 2.8Å; Q293-E305 PolarHBondContact N-O 2.81Å; Q293-E305 PolarHBondContact O-N 3.04Å; Q293-V307 HydrophobicContact CB-CG2 3.51Å
294	I	68.5	Low	72.7	Confident	115 Å²	115	98 Å²	98	59%	0.59	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	116.2	173	-57.5	175	0	0	0	107.3	A302 H303 T304	I294-A302 HydrophobicContact CG2-CB 3.67Å; I294-H303 WeakPolarHBondContact CA-O 3.42Å; I294-T304 HydrophobicContact CG1-CG2 3.8Å
295	V	67.8	Low	71.6	Confident	52 Å²	52	98.7 Å²	98.7	32%	0.315	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131.7	172.5	-177.7	0	0	0	0	107.2	Q293 A302 H303 E305	Q293-V295 PolarHBondContact O-N 2.8Å; V295-A302 WeakPolarHBondContact O-CA 3.41Å; V295-H303 PolarHBondContact N-O 3.08Å; V295-H303 PolarHBondContact O-N 3.35Å; V295-H303 PolarHBondContact O-ND1 3.2Å; V295-E305 HydrophobicContact CG2-CB 4.32Å; V295-E305 HydrophobicContact CG2-CG 4.07Å
296	E	66.6	Low	70.7	Confident	151 Å²	151	100.5 Å²	100.5	71%	0.706	54%	0.544	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	117.3	171.8	-70.3	-174	165.3	0	0	109.1	A302	E296-A302 HydrophobicContact CG-CB 4.09Å
297	D	64.7	Low	70.1	Confident	89 Å²	89	97.5 Å²	97.5	48%	0.476	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-65	159.4	170.6	-97.7	-13.3	0	0	0	110.9	I299 G300 M301 H303	D297-I299 PolarHBondContact O-N 2.9Å; D297-G300 PolarHBondContact O-N 2.88Å; D297-M301 PolarHBondContact N-O 2.91Å; D297-H303 IonicContact OD1-CE1 3.87Å; D297-H303 PolarHBondContact OD1-CE1 3.45Å
298	S	63	Low	69.6	Low	135 Å²	135	94.9 Å²	94.9	94%	0.944	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-5.7	178.4	-44.5	0	0	0	0	116
299	I	67.3	Low	69.5	Low	154 Å²	154	91.2 Å²	91.2	79%	0.79	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-1	-178	-53.6	176.8	0	0	0	110.9	D297	D297-I299 PolarHBondContact O-N 2.9Å
300	G	59.9	Low	69.8	Low	60 Å²	60	88.8 Å²	88.8	62%	0.619	51%	0.506	S	S	*	.	S	Bend	trans	77.7	21.9	-179.5	0	0	0	0	0	114	D297	D297-G300 PolarHBondContact O-N 2.88Å
301	M	56.2	Low	70	Confident	140 Å²	140	89.6 Å²	89.6	69%	0.69	51%	0.512	S	S	*	.			trans	-95.3	127.6	168.5	-77.5	-70.8	179.3	0	0	108.8	D297	D297-M301 PolarHBondContact N-O 2.91Å
302	A	60.1	Low	70.5	Confident	63 Å²	63	91.7 Å²	91.7	52%	0.521	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	118	-178.9	0	0	0	0	0	110.2	I294 V295 E296	I294-A302 HydrophobicContact CG2-CB 3.67Å; V295-A302 WeakPolarHBondContact O-CA 3.41Å; E296-A302 HydrophobicContact CG-CB 4.09Å
303	H	69.7	Low	71.4	Confident	61 Å²	61	88.6 Å²	88.6	28%	0.282	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	141.8	175.4	62.9	-83.9	0	0	0	111.5	I294 V295 D297 E305	I294-H303 WeakPolarHBondContact CA-O 3.42Å; V295-H303 PolarHBondContact N-O 3.08Å; V295-H303 PolarHBondContact O-N 3.35Å; V295-H303 PolarHBondContact O-ND1 3.2Å; D297-H303 IonicContact OD1-CE1 3.87Å; D297-H303 PolarHBondContact OD1-CE1 3.45Å; H303-E305 VanDerWaalsContact CD2-CG 3.44Å; H303-E305 WeakPolarHBondContact CD2-CG 3.45Å; H303-E305 IonicContact CD2-OE1 2.68Å; H303-E305 IonicContact NE2-OE1 3.98Å; H303-E305 PolarHBondContact NE2-OE1 3.3Å; H303-E305 PolarHBondContact O-N 3.29Å
304	T	63.4	Low	72.5	Confident	87 Å²	87	85.7 Å²	85.7	53%	0.534	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	110.2	175	28	0	0	0	0	110.5	E292 I294	E292-T304 HydrophobicContact CB-CG2 4.12Å; I294-T304 HydrophobicContact CG1-CG2 3.8Å
305	E	67	Low	73.6	Confident	102 Å²	102	87.7 Å²	87.7	48%	0.477	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.7	167.1	-64.2	-165.9	172	0	0	110.1	E292 Q293 V295 H303 V307	E292-E305 WeakPolarHBondContact CA-O 3.25Å; Q293-E305 PolarHBondContact N-O 2.81Å; Q293-E305 PolarHBondContact O-N 3.04Å; V295-E305 HydrophobicContact CG2-CB 4.32Å; V295-E305 HydrophobicContact CG2-CG 4.07Å; H303-E305 VanDerWaalsContact CD2-CG 3.44Å; H303-E305 WeakPolarHBondContact CD2-CG 3.45Å; H303-E305 IonicContact CD2-OE1 2.68Å; H303-E305 IonicContact NE2-OE1 3.98Å; H303-E305 PolarHBondContact NE2-OE1 3.3Å; H303-E305 PolarHBondContact O-N 3.29Å; E305-V307 PolarHBondContact O-N 3.5Å
306	H	69.4	Low	74.7	Confident	110 Å²	110	88.3 Å²	88.3	51%	0.509	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	106.3	174.4	-178.5	-87.5	0	0	0	109.8	P308 E312	H306-P308 WeakPolarHBondContact O-CD 3.32Å; H306-E312 IonicContact CE1-OE2 3.22Å; H306-E312 IonicContact ND1-OE2 3.76Å
307	V	73.9	Confident	76	Confident	62 Å²	62	85.2 Å²	85.2	38%	0.376	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	115.7	176.6	-177.5	0	0	0	0	108.8	G290 G291 Q293 E305 G309	G290-V307 WeakPolarHBondContact CA-O 3.25Å; G291-V307 PolarHBondContact N-O 3.49Å; G291-V307 WeakPolarHBondContact O-CB 3.38Å; G291-V307 PolarHBondContact O-N 2.94Å; Q293-V307 HydrophobicContact CB-CG2 3.51Å; E305-V307 PolarHBondContact O-N 3.5Å; V307-G309 PolarHBondContact O-N 3.02Å
308	P	74.9	Confident	77.5	Confident	82 Å²	82	85 Å²	85	53%	0.532	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	125.1	-174	27.1	-34.4	0	0	0	111.6	H306 E312	H306-P308 WeakPolarHBondContact O-CD 3.32Å; P308-E312 HydrophobicContact CB-CB 3.95Å; P308-E312 HydrophobicContact CB-CG 3.84Å; P308-E312 WeakPolarHBondContact CB-OE2 3.38Å
309	G	86.1	Confident	79	Confident	6 Å²	6	85.9 Å²	85.9	6%	0.062	49%	0.49	C	S	.	.			trans	-70.2	172.9	173.5	0	0	0	0	0	113.5	V307 A311 E312 S313	V307-G309 PolarHBondContact O-N 3.02Å; G309-A311 PolarHBondContact O-N 3.24Å; G309-E312 PolarHBondContact O-N 3.32Å; G309-S313 PolarHBondContact O-N 2.84Å
310	T	89.9	Confident	80.3	Confident	89 Å²	89	81.2 Å²	81.2	55%	0.546	48%	0.475	S	S	.	.	H	α-helix	trans	-59.8	-28.4	177.4	53.9	0	0	0	0	112.9	Q287 I288 S313 A314	Q287-T310 WeakPolarHBondContact O-CG2 3.36Å; Q287-T310 PolarHBondContact O-N 2.89Å; Q287-T310 PolarHBondContact O-OG1 3.05Å; I288-T310 WeakPolarHBondContact CA-OG1 3.43Å; I288-T310 PolarHBondContact O-N 2.81Å; T310-S313 PolarHBondContact O-N 3.36Å; T310-A314 WeakPolarHBondContact O-CB 3.38Å; T310-A314 PolarHBondContact O-N 3.44Å
311	A	87.6	Confident	82	Confident	34 Å²	34	85.1 Å²	85.1	28%	0.281	47%	0.472	S	S	.	.	H	α-helix	trans	-67.1	-35.8	173.7	0	0	0	0	0	113	I288 G309 R315	I288-A311 HydrophobicContact CG2-CB 4.16Å; I288-A311 WeakPolarHBondContact O-CB 3.27Å; I288-A311 PolarHBondContact O-N 3.11Å; I288-A311 VanDerWaalsContact O-N 3.08Å; G309-A311 PolarHBondContact O-N 3.24Å; A311-R315 VanDerWaalsContact O-CG 3.27Å; A311-R315 WeakPolarHBondContact O-CG 3.26Å; A311-R315 PolarHBondContact O-N 2.99Å; A311-R315 VanDerWaalsContact O-N 3.12Å
312	E	88.3	Confident	83.9	Confident	70 Å²	70	83.4 Å²	83.4	33%	0.327	46%	0.46	S	S	.	.	H	α-helix	trans	-74	-40.2	175.6	179.5	145.9	-131.3	0	0	111.4	H306 P308 G309 A314 R315 S316	H306-E312 IonicContact CE1-OE2 3.22Å; H306-E312 IonicContact ND1-OE2 3.76Å; P308-E312 HydrophobicContact CB-CB 3.95Å; P308-E312 HydrophobicContact CB-CG 3.84Å; P308-E312 WeakPolarHBondContact CB-OE2 3.38Å; G309-E312 PolarHBondContact O-N 3.32Å; E312-A314 VanDerWaalsContact C-N 3.33Å; E312-A314 PolarHBondContact O-N 2.92Å; E312-R315 PolarHBondContact O-N 2.68Å; E312-S316 WeakPolarHBondContact O-CB 3.42Å; E312-S316 PolarHBondContact O-N 3.33Å
313	S	88.3	Confident	85.6	Confident	79 Å²	79	83.1 Å²	83.1	55%	0.552	46%	0.458	S	S	*	.	H	α-helix	trans	-56.6	-45.6	171.6	-176.3	0	0	0	0	112	G309 T310 R315 S316 C317	G309-S313 PolarHBondContact O-N 2.84Å; T310-S313 PolarHBondContact O-N 3.36Å; S313-R315 PolarHBondContact O-N 2.87Å; S313-S316 WeakPolarHBondContact O-CB 3.49Å; S313-S316 PolarHBondContact O-N 2.88Å; S313-C317 WeakPolarHBondContact O-CB 3.49Å; S313-C317 PolarHBondContact O-N 3.27Å
314	A	89.7	Confident	86.7	Confident	58 Å²	58	84.8 Å²	84.8	48%	0.479	47%	0.469	S	S	.	.	H	α-helix	trans	-61.8	-43.1	175.5	0	0	0	0	0	112.7	T310 E312 S316 C317 V318	T310-A314 WeakPolarHBondContact O-CB 3.38Å; T310-A314 PolarHBondContact O-N 3.44Å; E312-A314 VanDerWaalsContact C-N 3.33Å; E312-A314 PolarHBondContact O-N 2.92Å; A314-S316 VanDerWaalsContact C-N 3.33Å; A314-S316 PolarHBondContact O-N 3.37Å; A314-C317 PolarHBondContact O-N 3.5Å; A314-V318 WeakPolarHBondContact O-CG2 3.29Å; A314-V318 PolarHBondContact O-N 3.24Å; A314-V318 VanDerWaalsContact O-N 3.12Å
315	R	91.4	Very high	88.1	Confident	158 Å²	158	83.7 Å²	83.7	60%	0.596	46%	0.46	S	S	*	.	H	α-helix	trans	-62.5	-40	174	-71.4	167.2	-178	176.1	3.1	111.8	A311 E312 S313 V318 R319	A311-R315 VanDerWaalsContact O-CG 3.27Å; A311-R315 WeakPolarHBondContact O-CG 3.26Å; A311-R315 PolarHBondContact O-N 2.99Å; A311-R315 VanDerWaalsContact O-N 3.12Å; E312-R315 PolarHBondContact O-N 2.68Å; S313-R315 PolarHBondContact O-N 2.87Å; R315-V318 PolarHBondContact O-N 3.43Å; R315-R319 WeakPolarHBondContact O-CG 3.25Å; R315-R319 PolarHBondContact O-N 2.94Å
316	S	92.1	Very high	89.3	Confident	64 Å²	64	84.5 Å²	84.5	45%	0.448	46%	0.463	S	S	.	.	H	α-helix	trans	-64.5	-45	177.4	-164.8	0	0	0	0	111.4	E312 S313 A314 V318 R319 A320	E312-S316 WeakPolarHBondContact O-CB 3.42Å; E312-S316 PolarHBondContact O-N 3.33Å; S313-S316 WeakPolarHBondContact O-CB 3.49Å; S313-S316 PolarHBondContact O-N 2.88Å; A314-S316 VanDerWaalsContact C-N 3.33Å; A314-S316 PolarHBondContact O-N 3.37Å; S316-V318 PolarHBondContact O-N 3.34Å; S316-R319 PolarHBondContact O-N 3.07Å; S316-R319 VanDerWaalsContact O-N 3.15Å; S316-A320 WeakPolarHBondContact O-CB 3.38Å; S316-A320 PolarHBondContact O-N 3.22Å
317	C	94.1	Very high	90.5	Very high	87 Å²	87	86.2 Å²	86.2	59%	0.588	47%	0.471	S	S	*	.	H	α-helix	trans	-57	-45.3	174.7	-176.1	0	0	0	0	112.2	S313 A314 A320 Y321	S313-C317 WeakPolarHBondContact O-CB 3.49Å; S313-C317 PolarHBondContact O-N 3.27Å; A314-C317 PolarHBondContact O-N 3.5Å; C317-A320 PolarHBondContact O-N 3.02Å; C317-Y321 WeakPolarHBondContact O-CB 3.46Å; C317-Y321 PolarHBondContact O-N 2.52Å
318	V	94.4	Very high	91.3	Very high	83 Å²	83	85.5 Å²	85.5	50%	0.503	47%	0.468	S	S	.	.	H	α-helix	trans	-62.8	-43.9	175.2	174.1	0	0	0	0	111.7	A314 R315 S316 Y321 F322	A314-V318 WeakPolarHBondContact O-CG2 3.29Å; A314-V318 PolarHBondContact O-N 3.24Å; A314-V318 VanDerWaalsContact O-N 3.12Å; R315-V318 PolarHBondContact O-N 3.43Å; S316-V318 PolarHBondContact O-N 3.34Å; V318-Y321 PolarHBondContact O-N 3.29Å; V318-F322 HydrophobicContact CG1-CD2 3.88Å; V318-F322 HydrophobicContact CG1-CE2 3.95Å; V318-F322 VanDerWaalsContact O-CD2 3.32Å; V318-F322 WeakPolarHBondContact O-CD2 3.22Å; V318-F322 PolarHBondContact O-N 3.13Å; V318-F322 VanDerWaalsContact O-N 3.09Å
319	R	95.4	Very high	92	Very high	155 Å²	155	85.1 Å²	85.1	59%	0.585	46%	0.461	S	S	*	.	H	α-helix	trans	-61.6	-43.7	175.9	-70.4	171.9	-170.7	147.8	-2.2	111.9	R315 S316 F322 A323	R315-R319 WeakPolarHBondContact O-CG 3.25Å; R315-R319 PolarHBondContact O-N 2.94Å; S316-R319 PolarHBondContact O-N 3.07Å; S316-R319 VanDerWaalsContact O-N 3.15Å; R319-F322 PolarHBondContact O-N 3.48Å; R319-A323 WeakPolarHBondContact O-CB 3.45Å; R319-A323 PolarHBondContact O-N 2.93Å
320	A	94.8	Very high	92.3	Very high	56 Å²	56	88 Å²	88	46%	0.463	48%	0.479	S	S	.	.	H	α-helix	trans	-63.5	-45.1	179.2	0	0	0	0	0	111.8	S316 C317 F322 A323 D324	S316-A320 WeakPolarHBondContact O-CB 3.38Å; S316-A320 PolarHBondContact O-N 3.22Å; C317-A320 PolarHBondContact O-N 3.02Å; A320-F322 PolarHBondContact O-N 3.29Å; A320-A323 PolarHBondContact O-N 2.93Å; A320-D324 PolarHBondContact O-N 3.02Å
321	Y	95.6	Very high	92.3	Very high	141 Å²	141	92.4 Å²	92.4	55%	0.553	49%	0.486	S	S	*	.	H	α-helix	trans	-57.7	-45.9	174.2	173.6	-99.6	0	0	0	112.3	C317 V318 L325	C317-Y321 WeakPolarHBondContact O-CB 3.46Å; C317-Y321 PolarHBondContact O-N 2.52Å; V318-Y321 PolarHBondContact O-N 3.29Å; Y321-L325 WeakPolarHBondContact O-CB 3.41Å; Y321-L325 PolarHBondContact O-N 3.22Å
322	F	96	Very high	92.4	Very high	104 Å²	104	93.6 Å²	93.6	46%	0.456	49%	0.485	S	S	.	.	H	α-helix	trans	-70.2	-32.1	176.8	-81.3	-69.4	0	0	0	112.8	V318 R319 A320 L325 H326	V318-F322 HydrophobicContact CG1-CD2 3.88Å; V318-F322 HydrophobicContact CG1-CE2 3.95Å; V318-F322 VanDerWaalsContact O-CD2 3.32Å; V318-F322 WeakPolarHBondContact O-CD2 3.22Å; V318-F322 PolarHBondContact O-N 3.13Å; V318-F322 VanDerWaalsContact O-N 3.09Å; R319-F322 PolarHBondContact O-N 3.48Å; A320-F322 PolarHBondContact O-N 3.29Å; F322-L325 HydrophobicContact CD1-CD2 4.21Å; F322-L325 HydrophobicContact CE1-CD2 4.36Å; F322-L325 PolarHBondContact O-N 2.66Å; F322-H326 PolarHBondContact O-N 3.15Å; F322-H326 PolarHBondContact O-ND1 3.29Å
323	A	95.2	Very high	92.4	Very high	57 Å²	57	96.2 Å²	96.2	47%	0.471	50%	0.498	S	S	.	.	H	α-helix	trans	-64.4	-48.3	174.9	0	0	0	0	0	111.7	R319 A320 L325 H326 E327	R319-A323 WeakPolarHBondContact O-CB 3.45Å; R319-A323 PolarHBondContact O-N 2.93Å; A320-A323 PolarHBondContact O-N 2.93Å; A323-L325 VanDerWaalsContact C-N 3.31Å; A323-L325 PolarHBondContact O-N 3.33Å; A323-H326 PolarHBondContact O-N 3.34Å; A323-H326 VanDerWaalsContact O-N 3.13Å; A323-E327 PolarHBondContact O-N 3.3Å
324	D	94.1	Very high	92.5	Very high	97 Å²	97	98.9 Å²	98.9	52%	0.519	50%	0.502	S	S	.	.	H	α-helix	trans	-59	-39.7	174.8	177.8	72.2	0	0	0	112.3	A320 E327 T328	A320-D324 PolarHBondContact O-N 3.02Å; D324-E327 PolarHBondContact O-N 3.46Å; D324-T328 VanDerWaalsContact O-CB 3.31Å; D324-T328 WeakPolarHBondContact O-CB 3.45Å; D324-T328 PolarHBondContact O-N 3.13Å; D324-T328 PolarHBondContact O-OG1 3.13Å
325	L	91.1	Very high	92.4	Very high	63 Å²	63	101.4 Å²	101.4	33%	0.33	51%	0.505	S	S	.	.	H	α-helix	trans	-65.3	-41	173.9	-176.7	62.5	0	0	0	112.5	Y321 F322 A323 L329	Y321-L325 WeakPolarHBondContact O-CB 3.41Å; Y321-L325 PolarHBondContact O-N 3.22Å; F322-L325 HydrophobicContact CD1-CD2 4.21Å; F322-L325 HydrophobicContact CE1-CD2 4.36Å; F322-L325 PolarHBondContact O-N 2.66Å; A323-L325 VanDerWaalsContact C-N 3.31Å; A323-L325 PolarHBondContact O-N 3.33Å; L325-L329 HydrophobicContact CG-CD1 4.25Å; L325-L329 WeakPolarHBondContact O-CB 3.42Å; L325-L329 VanDerWaalsContact O-CG 3.27Å; L325-L329 WeakPolarHBondContact O-CG 3.34Å; L325-L329 PolarHBondContact O-N 2.92Å
326	H	93.8	Very high	92.2	Very high	119 Å²	119	94.7 Å²	94.7	55%	0.551	48%	0.483	S	S	*	.	H	α-helix	trans	-66.7	-43.7	175.6	-77.6	78.3	0	0	0	111.3	F322 A323 T328 L329 C330	F322-H326 PolarHBondContact O-N 3.15Å; F322-H326 PolarHBondContact O-ND1 3.29Å; A323-H326 PolarHBondContact O-N 3.34Å; A323-H326 VanDerWaalsContact O-N 3.13Å; H326-T328 VanDerWaalsContact C-N 3.33Å; H326-T328 PolarHBondContact O-N 3.33Å; H326-L329 PolarHBondContact O-N 3.14Å; H326-C330 PolarHBondContact O-N 2.82Å; H326-C330 PolarHBondContact O-SG 3.15Å
327	E	93.9	Very high	92	Very high	146 Å²	146	96.3 Å²	96.3	68%	0.682	49%	0.486	S	S	*	.	H	α-helix	trans	-60.6	-43.1	176	-173.8	175	168.9	0	0	111.5	A323 D324 L329 C330 R331	A323-E327 PolarHBondContact O-N 3.3Å; D324-E327 PolarHBondContact O-N 3.46Å; E327-L329 VanDerWaalsContact C-N 3.35Å; E327-L329 PolarHBondContact O-N 3.16Å; E327-C330 PolarHBondContact O-N 3.03Å; E327-R331 PolarHBondContact O-N 2.83Å
328	T	90.6	Very high	91.8	Very high	48 Å²	48	95 Å²	95	29%	0.294	48%	0.478	S	S	.	.	H	α-helix	trans	-59.9	-42.7	173.9	-65.2	0	0	0	0	112.1	D324 H326 R331 Q332	D324-T328 VanDerWaalsContact O-CB 3.31Å; D324-T328 WeakPolarHBondContact O-CB 3.45Å; D324-T328 PolarHBondContact O-N 3.13Å; D324-T328 PolarHBondContact O-OG1 3.13Å; H326-T328 VanDerWaalsContact C-N 3.33Å; H326-T328 PolarHBondContact O-N 3.33Å; T328-R331 PolarHBondContact O-N 3.45Å; T328-Q332 WeakPolarHBondContact O-CG 3.39Å; T328-Q332 PolarHBondContact O-N 3.45Å
329	L	89.9	Confident	91.5	Very high	74 Å²	74	94.2 Å²	94.2	39%	0.387	47%	0.473	S	S	.	.	H	α-helix	trans	-68.2	-43.1	177.3	-74.3	168.7	0	0	0	112.2	L325 H326 E327 R331 Q332 E333	L325-L329 HydrophobicContact CG-CD1 4.25Å; L325-L329 WeakPolarHBondContact O-CB 3.42Å; L325-L329 VanDerWaalsContact O-CG 3.27Å; L325-L329 WeakPolarHBondContact O-CG 3.34Å; L325-L329 PolarHBondContact O-N 2.92Å; H326-L329 PolarHBondContact O-N 3.14Å; E327-L329 VanDerWaalsContact C-N 3.35Å; E327-L329 PolarHBondContact O-N 3.16Å; L329-R331 VanDerWaalsContact C-N 3.3Å; L329-R331 PolarHBondContact O-N 3.32Å; L329-Q332 WeakPolarHBondContact O-CB 3.15Å; L329-Q332 PolarHBondContact O-N 3.25Å; L329-Q332 VanDerWaalsContact O-N 3.1Å; L329-E333 PolarHBondContact O-N 3.05Å
330	C	92.8	Very high	91.1	Very high	67 Å²	67	88.4 Å²	88.4	45%	0.453	46%	0.455	S	S	.	.	H	α-helix	trans	-57.4	-44.2	173.9	-68.5	0	0	0	0	111.1	H326 E327 Q332 E333 E334	H326-C330 PolarHBondContact O-N 2.82Å; H326-C330 PolarHBondContact O-SG 3.15Å; E327-C330 PolarHBondContact O-N 3.03Å; C330-Q332 VanDerWaalsContact C-N 3.31Å; C330-Q332 PolarHBondContact O-N 3.45Å; C330-E333 WeakPolarHBondContact O-CB 3.29Å; C330-E333 PolarHBondContact O-N 3.5Å; C330-E334 WeakPolarHBondContact O-CG 3.35Å; C330-E334 PolarHBondContact O-N 3.09Å
331	R	90.1	Very high	90.9	Very high	181 Å²	181	89.9 Å²	89.9	68%	0.683	46%	0.455	S	S	*	.	H	α-helix	trans	-66.5	-32	176.8	-163.9	-179.5	69.7	141.1	0.1	112.8	E327 T328 L329 M335	E327-R331 PolarHBondContact O-N 2.83Å; T328-R331 PolarHBondContact O-N 3.45Å; L329-R331 VanDerWaalsContact C-N 3.3Å; L329-R331 PolarHBondContact O-N 3.32Å; R331-M335 VanDerWaalsContact O-CB 3.31Å; R331-M335 WeakPolarHBondContact O-CB 3.5Å; R331-M335 PolarHBondContact O-N 2.93Å; R331-M335 VanDerWaalsContact O-N 3.11Å
332	Q	88	Confident	90.5	Very high	58 Å²	58	84.5 Å²	84.5	27%	0.271	44%	0.439	S	S	.	.	H	α-helix	trans	-68.1	-39.8	171.7	-74.7	175.9	-3.4	0	0	111.6	T328 L329 C330 M335 A336 N425	T328-Q332 WeakPolarHBondContact O-CG 3.39Å; T328-Q332 PolarHBondContact O-N 3.45Å; L329-Q332 WeakPolarHBondContact O-CB 3.15Å; L329-Q332 PolarHBondContact O-N 3.25Å; L329-Q332 VanDerWaalsContact O-N 3.1Å; C330-Q332 VanDerWaalsContact C-N 3.31Å; C330-Q332 PolarHBondContact O-N 3.45Å; Q332-M335 PolarHBondContact O-N 3.11Å; Q332-A336 VanDerWaalsContact O-CB 3.22Å; Q332-A336 WeakPolarHBondContact O-CB 3.42Å; Q332-A336 PolarHBondContact O-N 3.37Å; Q332-N425 PolarHBondContact OE1-ND2 3.06Å
333	E	89.1	Confident	90.2	Very high	125 Å²	125	82.3 Å²	82.3	58%	0.584	43%	0.431	S	S	*	.	H	α-helix	trans	-64.2	-48.2	175.2	-177.3	175.1	-167.6	0	0	112	L329 C330 M335 A336 L337	L329-E333 PolarHBondContact O-N 3.05Å; C330-E333 WeakPolarHBondContact O-CB 3.29Å; C330-E333 PolarHBondContact O-N 3.5Å; E333-M335 VanDerWaalsContact C-N 3.32Å; E333-M335 PolarHBondContact O-N 3.26Å; E333-A336 WeakPolarHBondContact O-CB 3.49Å; E333-A336 PolarHBondContact O-N 3Å; E333-L337 HydrophobicContact CG-CD1 4.19Å; E333-L337 WeakPolarHBondContact O-CG 3.48Å; E333-L337 PolarHBondContact O-N 3.42Å
334	E	90.8	Very high	89.8	Confident	136 Å²	136	81.7 Å²	81.7	64%	0.636	42%	0.421	S	S	*	.	H	α-helix	trans	-58.2	-44.1	175.1	-72.5	-179.8	167	0	0	111.8	C330 L337 S338	C330-E334 WeakPolarHBondContact O-CG 3.35Å; C330-E334 PolarHBondContact O-N 3.09Å; E334-L337 PolarHBondContact O-N 3.5Å; E334-S338 WeakPolarHBondContact O-CB 3.2Å; E334-S338 PolarHBondContact O-N 3.03Å
335	M	87.6	Confident	89.7	Confident	111 Å²	111	84 Å²	84	55%	0.547	42%	0.422	S	S	.	.	H	α-helix	trans	-65.3	-42.9	176.9	-173.9	167.4	57.5	0	0	111.5	R331 Q332 E333 S338 V339	R331-M335 VanDerWaalsContact O-CB 3.31Å; R331-M335 WeakPolarHBondContact O-CB 3.5Å; R331-M335 PolarHBondContact O-N 2.93Å; R331-M335 VanDerWaalsContact O-N 3.11Å; Q332-M335 PolarHBondContact O-N 3.11Å; E333-M335 VanDerWaalsContact C-N 3.32Å; E333-M335 PolarHBondContact O-N 3.26Å; M335-S338 PolarHBondContact O-N 2.66Å; M335-S338 PolarHBondContact O-OG 3.21Å; M335-V339 WeakPolarHBondContact O-CG2 3.38Å; M335-V339 PolarHBondContact O-N 3.4Å
336	A	86.5	Confident	89.6	Confident	16 Å²	16	87.2 Å²	87.2	13%	0.132	44%	0.435	C	S	.	.	H	α-helix	trans	-59.2	-46.4	175.5	0	0	0	0	0	112.2	Q332 E333 V339 V340 V427	Q332-A336 VanDerWaalsContact O-CB 3.22Å; Q332-A336 WeakPolarHBondContact O-CB 3.42Å; Q332-A336 PolarHBondContact O-N 3.37Å; E333-A336 WeakPolarHBondContact O-CB 3.49Å; E333-A336 PolarHBondContact O-N 3Å; A336-V339 PolarHBondContact O-N 2.88Å; A336-V340 PolarHBondContact O-N 3.25Å; A336-V427 HydrophobicContact CB-CB 4.38Å; A336-V427 HydrophobicContact CB-CG2 3.57Å
337	L	89.1	Confident	89.3	Confident	99 Å²	99	84.7 Å²	84.7	52%	0.518	42%	0.421	S	S	.	.	H	α-helix	trans	-63.2	-41.2	174.9	-69.8	171.7	0	0	0	111.6	E333 E334 V339 V340 D341	E333-L337 HydrophobicContact CG-CD1 4.19Å; E333-L337 WeakPolarHBondContact O-CG 3.48Å; E333-L337 PolarHBondContact O-N 3.42Å; E334-L337 PolarHBondContact O-N 3.5Å; L337-V339 PolarHBondContact O-N 3.41Å; L337-V340 PolarHBondContact O-N 3.19Å; L337-D341 PolarHBondContact O-N 3.46Å
338	S	89.3	Confident	89	Confident	60 Å²	60	81.5 Å²	81.5	42%	0.42	41%	0.408	S	S	.	.	H	α-helix	trans	-60.8	-31.5	178.9	81.4	0	0	0	0	113.5	E334 M335 A342	E334-S338 WeakPolarHBondContact O-CB 3.2Å; E334-S338 PolarHBondContact O-N 3.03Å; M335-S338 PolarHBondContact O-N 2.66Å; M335-S338 PolarHBondContact O-OG 3.21Å; S338-A342 VanDerWaalsContact O-CB 3.31Å; S338-A342 WeakPolarHBondContact O-CB 3.28Å; S338-A342 PolarHBondContact O-N 2.86Å
339	V	87.3	Confident	89	Confident	65 Å²	65	84.7 Å²	84.7	39%	0.394	42%	0.422	S	S	.	.	H	α-helix	trans	-72	-39	175.7	173.8	0	0	0	0	110.8	M335 A336 L337 A342 H343 V427 I429	M335-V339 WeakPolarHBondContact O-CG2 3.38Å; M335-V339 PolarHBondContact O-N 3.4Å; A336-V339 PolarHBondContact O-N 2.88Å; L337-V339 PolarHBondContact O-N 3.41Å; V339-A342 PolarHBondContact O-N 2.91Å; V339-H343 PolarHBondContact O-N 3.47Å; V339-H343 VanDerWaalsContact O-N 3.07Å; V339-V427 HydrophobicContact CG1-CG1 4.49Å; V339-I429 HydrophobicContact CG1-CD1 3.87Å; V339-I429 HydrophobicContact CG1-CG1 4.44Å; V339-I429 WeakPolarHBondContact O-CD1 3.43Å
340	V	88.4	Confident	88.9	Confident	34 Å²	34	86.6 Å²	86.6	21%	0.206	43%	0.425	C	S	.	.	H	α-helix	trans	-64.6	-48.4	172.9	179.7	0	0	0	0	110.9	A336 L337 A342 H343 V344 V419 V427 I429	A336-V340 PolarHBondContact O-N 3.25Å; L337-V340 PolarHBondContact O-N 3.19Å; V340-A342 VanDerWaalsContact C-N 3.31Å; V340-A342 PolarHBondContact O-N 3.23Å; V340-H343 PolarHBondContact O-N 3.06Å; V340-V344 HydrophobicContact CG1-CG2 4.26Å; V340-V344 WeakPolarHBondContact O-CB 3.47Å; V340-V344 VanDerWaalsContact O-CG2 3.29Å; V340-V344 WeakPolarHBondContact O-CG2 3.45Å; V340-V344 PolarHBondContact O-N 3.19Å; V340-V419 HydrophobicContact CG2-CG2 4.49Å; V340-V427 HydrophobicContact CG2-CG1 4.15Å; V340-I429 HydrophobicContact CB-CD1 4.27Å; V340-I429 HydrophobicContact CG2-CD1 3.92Å
341	D	89.9	Confident	88.6	Confident	86 Å²	86	86.7 Å²	86.7	46%	0.46	42%	0.42	S	S	.	.	H	α-helix	trans	-60.8	-38.6	177.2	-77	-18.8	0	0	0	112.5	L337 R345	L337-D341 PolarHBondContact O-N 3.46Å; D341-R345 WeakPolarHBondContact O-CB 3.26Å; D341-R345 VanDerWaalsContact O-CG 3.25Å; D341-R345 WeakPolarHBondContact O-CG 3.31Å; D341-R345 PolarHBondContact O-N 2.85Å
342	A	88.1	Confident	88.7	Confident	28 Å²	28	85.1 Å²	85.1	23%	0.231	41%	0.414	C	S	.	.	H	α-helix	trans	-61.6	-51.9	175	0	0	0	0	0	111.4	S338 V339 V340 V344 R345 E346	S338-A342 VanDerWaalsContact O-CB 3.31Å; S338-A342 WeakPolarHBondContact O-CB 3.28Å; S338-A342 PolarHBondContact O-N 2.86Å; V339-A342 PolarHBondContact O-N 2.91Å; V340-A342 VanDerWaalsContact C-N 3.31Å; V340-A342 PolarHBondContact O-N 3.23Å; A342-V344 PolarHBondContact O-N 2.71Å; A342-R345 PolarHBondContact O-N 2.95Å; A342-E346 WeakPolarHBondContact O-CG 3.13Å; A342-E346 PolarHBondContact O-N 3.16Å
343	H	87.9	Confident	88.7	Confident	59 Å²	59	86.8 Å²	86.8	27%	0.273	42%	0.422	S	S	.	.	H	α-helix	trans	-60.6	-42.8	177.9	-179.8	80.3	0	0	0	112.5	V339 V340 E346 R347 I429	V339-H343 PolarHBondContact O-N 3.47Å; V339-H343 VanDerWaalsContact O-N 3.07Å; V340-H343 PolarHBondContact O-N 3.06Å; H343-E346 PolarHBondContact O-N 3.36Å; H343-R347 VanDerWaalsContact O-CB 3.29Å; H343-R347 WeakPolarHBondContact O-CB 3.29Å; H343-R347 PolarHBondContact O-N 2.71Å; H343-I429 HydrophobicContact CB-CD1 3.62Å; H343-I429 HydrophobicContact CB-CG2 4.42Å
344	V	88.3	Confident	88.5	Confident	43 Å²	43	82.9 Å²	82.9	26%	0.261	40%	0.404	S	S	.	.	H	α-helix	trans	-61.1	-45.7	176.3	169.4	0	0	0	0	111	V340 A342 L348 I417	V340-V344 HydrophobicContact CG1-CG2 4.26Å; V340-V344 WeakPolarHBondContact O-CB 3.47Å; V340-V344 VanDerWaalsContact O-CG2 3.29Å; V340-V344 WeakPolarHBondContact O-CG2 3.45Å; V340-V344 PolarHBondContact O-N 3.19Å; A342-V344 PolarHBondContact O-N 2.71Å; V344-L348 HydrophobicContact CG1-CD1 3.76Å; V344-L348 HydrophobicContact CG1-CG 4.34Å; V344-L348 VanDerWaalsContact O-CB 3.29Å; V344-L348 WeakPolarHBondContact O-CB 3.46Å; V344-L348 VanDerWaalsContact O-CG 3.23Å; V344-L348 WeakPolarHBondContact O-CG 3.27Å; V344-L348 PolarHBondContact O-N 3.24Å; V344-I417 HydrophobicContact CG2-CD1 3.51Å
345	R	91.8	Very high	88.3	Confident	146 Å²	146	82.8 Å²	82.8	55%	0.551	40%	0.403	S	S	*	.	H	α-helix	trans	-61.8	-49.4	176.9	-75.2	-176.1	-56.2	-117	0.7	111.6	D341 A342 R347 L348 I349	D341-R345 WeakPolarHBondContact O-CB 3.26Å; D341-R345 VanDerWaalsContact O-CG 3.25Å; D341-R345 WeakPolarHBondContact O-CG 3.31Å; D341-R345 PolarHBondContact O-N 2.85Å; A342-R345 PolarHBondContact O-N 2.95Å; R345-R347 PolarHBondContact O-N 3.49Å; R345-L348 PolarHBondContact O-N 3.45Å; R345-I349 WeakPolarHBondContact O-CB 3.26Å; R345-I349 WeakPolarHBondContact O-CD1 3.38Å; R345-I349 WeakPolarHBondContact O-CG1 3.16Å; R345-I349 PolarHBondContact O-N 3.39Å
346	E	88.4	Confident	88.4	Confident	130 Å²	130	83 Å²	83	61%	0.607	40%	0.403	S	S	*	.	H	α-helix	trans	-59.3	-47.7	179.3	-73.6	173	-170.2	0	0	111.5	A342 H343 L348 I349 W350	A342-E346 WeakPolarHBondContact O-CG 3.13Å; A342-E346 PolarHBondContact O-N 3.16Å; H343-E346 PolarHBondContact O-N 3.36Å; E346-L348 PolarHBondContact O-N 3.12Å; E346-I349 PolarHBondContact O-N 3.34Å; E346-W350 WeakPolarHBondContact O-CB 3.31Å; E346-W350 PolarHBondContact O-N 3.24Å
347	R	86.9	Confident	88.3	Confident	67 Å²	67	84.7 Å²	84.7	25%	0.253	41%	0.41	S	S	.	.	H	α-helix	trans	-64.5	-39.5	178.5	-168.3	170.8	-174.5	-168.4	-4.1	112.4	H343 R345 L351 Q412 D414 G416	H343-R347 VanDerWaalsContact O-CB 3.29Å; H343-R347 WeakPolarHBondContact O-CB 3.29Å; H343-R347 PolarHBondContact O-N 2.71Å; R345-R347 PolarHBondContact O-N 3.49Å; R347-L351 HydrophobicContact CG-CD1 4.13Å; R347-L351 WeakPolarHBondContact O-CB 3.37Å; R347-L351 VanDerWaalsContact O-CG 3.26Å; R347-L351 WeakPolarHBondContact O-CG 3.44Å; R347-L351 PolarHBondContact O-N 3.36Å; R347-Q412 PolarHBondContact NH2-O 2.73Å; R347-D414 PolarHBondContact NH1-O 2.92Å; R347-D414 PolarHBondContact NH2-O 3.07Å; R347-G416 PolarHBondContact NH1-O 3.44Å
348	L	89	Confident	88.1	Confident	79 Å²	79	84.5 Å²	84.5	41%	0.414	41%	0.407	S	S	.	.	H	α-helix	trans	-68.8	-38.2	175.8	-75.2	174.6	0	0	0	112.8	V344 R345 E346 R352	V344-L348 HydrophobicContact CG1-CD1 3.76Å; V344-L348 HydrophobicContact CG1-CG 4.34Å; V344-L348 VanDerWaalsContact O-CB 3.29Å; V344-L348 WeakPolarHBondContact O-CB 3.46Å; V344-L348 VanDerWaalsContact O-CG 3.23Å; V344-L348 WeakPolarHBondContact O-CG 3.27Å; V344-L348 PolarHBondContact O-N 3.24Å; R345-L348 PolarHBondContact O-N 3.45Å; E346-L348 PolarHBondContact O-N 3.12Å; L348-R352 WeakPolarHBondContact O-CB 3.22Å; L348-R352 WeakPolarHBondContact O-CG 3.43Å; L348-R352 PolarHBondContact O-N 2.7Å
349	I	90.4	Very high	88.1	Confident	115 Å²	115	85.8 Å²	85.8	59%	0.59	41%	0.413	S	S	*	.	H	α-helix	trans	-62.9	-48.2	174.6	-71.1	163.7	0	0	0	109.5	R345 E346 R352 Q353	R345-I349 WeakPolarHBondContact O-CB 3.26Å; R345-I349 WeakPolarHBondContact O-CD1 3.38Å; R345-I349 WeakPolarHBondContact O-CG1 3.16Å; R345-I349 PolarHBondContact O-N 3.39Å; E346-I349 PolarHBondContact O-N 3.34Å; I349-R352 PolarHBondContact O-N 3.42Å; I349-Q353 PolarHBondContact O-N 3.16Å
350	W	88.3	Confident	88.1	Confident	114 Å²	114	87.2 Å²	87.2	43%	0.432	42%	0.417	S	S	.	.	H	α-helix	trans	-61.1	-46.9	178.2	-176.2	86.7	0	0	0	112.3	E346 R352 Q353 Q354 V411	E346-W350 WeakPolarHBondContact O-CB 3.31Å; E346-W350 PolarHBondContact O-N 3.24Å; W350-R352 VanDerWaalsContact C-N 3.33Å; W350-R352 PolarHBondContact O-N 2.66Å; W350-Q353 PolarHBondContact O-N 3Å; W350-Q354 HydrophobicContact CD2-CG 4.05Å; W350-Q354 HydrophobicContact CE3-CG 4.21Å; W350-Q354 HydrophobicContact CH2-CG 3.87Å; W350-Q354 HydrophobicContact CZ2-CG 3.69Å; W350-Q354 HydrophobicContact CZ3-CG 4.12Å; W350-Q354 WeakPolarHBondContact O-CG 3.31Å; W350-Q354 PolarHBondContact O-N 2.91Å; W350-V411 HydrophobicContact CH2-CG1 4.26Å; W350-V411 HydrophobicContact CH2-CG2 4.08Å; W350-V411 HydrophobicContact CZ3-CG1 4.32Å
351	L	86.4	Confident	87.9	Confident	69 Å²	69	86.9 Å²	86.9	36%	0.361	41%	0.414	S	S	.	.	H	α-helix	trans	-61.4	-38.6	177.5	-76.3	169.7	0	0	0	112.7	R347 Q354 Q355	R347-L351 HydrophobicContact CG-CD1 4.13Å; R347-L351 WeakPolarHBondContact O-CB 3.37Å; R347-L351 VanDerWaalsContact O-CG 3.26Å; R347-L351 WeakPolarHBondContact O-CG 3.44Å; R347-L351 PolarHBondContact O-N 3.36Å; L351-Q354 PolarHBondContact O-N 3.24Å; L351-Q355 WeakPolarHBondContact O-CB 3.17Å; L351-Q355 PolarHBondContact O-N 3.4Å
352	R	90.4	Very high	87.8	Confident	148 Å²	148	88.3 Å²	88.3	56%	0.558	42%	0.421	S	S	*	.	H	α-helix	trans	-67.2	-42.2	175.4	-73.5	171.1	-173.6	-179.4	3.2	111.8	L348 I349 W350 Q354 Q355 E356	L348-R352 WeakPolarHBondContact O-CB 3.22Å; L348-R352 WeakPolarHBondContact O-CG 3.43Å; L348-R352 PolarHBondContact O-N 2.7Å; I349-R352 PolarHBondContact O-N 3.42Å; W350-R352 VanDerWaalsContact C-N 3.33Å; W350-R352 PolarHBondContact O-N 2.66Å; R352-Q354 VanDerWaalsContact C-N 3.34Å; R352-Q354 PolarHBondContact O-N 3.38Å; R352-Q355 WeakPolarHBondContact O-CB 3.34Å; R352-Q355 PolarHBondContact O-N 3.37Å; R352-Q355 VanDerWaalsContact O-N 3.15Å; R352-E356 PolarHBondContact O-N 2.9Å
353	Q	88.5	Confident	87.9	Confident	93 Å²	93	90.5 Å²	90.5	44%	0.435	44%	0.435	S	S	.	.	H	α-helix	trans	-58.6	-47	174.6	-172.9	63.1	56.8	0	0	111	I349 W350 Q355 E356 D357	I349-Q353 PolarHBondContact O-N 3.16Å; W350-Q353 PolarHBondContact O-N 3Å; Q353-Q355 VanDerWaalsContact C-N 3.29Å; Q353-Q355 PolarHBondContact O-N 2.85Å; Q353-E356 PolarHBondContact O-N 3.17Å; Q353-E356 VanDerWaalsContact O-N 3.15Å; Q353-D357 PolarHBondContact NE2-OD1 3.02Å; Q353-D357 WeakPolarHBondContact O-CB 3.31Å; Q353-D357 PolarHBondContact O-N 3.45Å
354	Q	84.8	Confident	87.8	Confident	43 Å²	43	91.6 Å²	91.6	20%	0.201	44%	0.44	C	S	.	.	H	α-helix	trans	-63	-33.6	176.6	-66.1	-55.6	-77.7	0	0	113.1	W350 L351 R352 D357 M358	W350-Q354 HydrophobicContact CD2-CG 4.05Å; W350-Q354 HydrophobicContact CE3-CG 4.21Å; W350-Q354 HydrophobicContact CH2-CG 3.87Å; W350-Q354 HydrophobicContact CZ2-CG 3.69Å; W350-Q354 HydrophobicContact CZ3-CG 4.12Å; W350-Q354 WeakPolarHBondContact O-CG 3.31Å; W350-Q354 PolarHBondContact O-N 2.91Å; L351-Q354 PolarHBondContact O-N 3.24Å; R352-Q354 VanDerWaalsContact C-N 3.34Å; R352-Q354 PolarHBondContact O-N 3.38Å; Q354-D357 PolarHBondContact NE2-OD2 3.19Å; Q354-D357 VanDerWaalsContact NE2-OD2 3.09Å; Q354-M358 VanDerWaalsContact O-CB 3.26Å; Q354-M358 WeakPolarHBondContact O-CB 3.41Å; Q354-M358 PolarHBondContact O-N 3.39Å
355	Q	86.4	Confident	87.7	Confident	133 Å²	133	92.1 Å²	92.1	62%	0.621	44%	0.443	S	S	*	.	H	α-helix	trans	-67.1	-40.8	173	-173.7	179.7	14.1	0	0	112.2	L351 R352 Q353 T359	L351-Q355 WeakPolarHBondContact O-CB 3.17Å; L351-Q355 PolarHBondContact O-N 3.4Å; R352-Q355 WeakPolarHBondContact O-CB 3.34Å; R352-Q355 PolarHBondContact O-N 3.37Å; R352-Q355 VanDerWaalsContact O-N 3.15Å; Q353-Q355 VanDerWaalsContact C-N 3.29Å; Q353-Q355 PolarHBondContact O-N 2.85Å; Q355-T359 WeakPolarHBondContact O-CB 3.49Å; Q355-T359 PolarHBondContact O-N 2.98Å; Q355-T359 PolarHBondContact O-OG1 3.37Å
356	E	89.8	Confident	87.6	Confident	115 Å²	115	88.9 Å²	88.9	54%	0.537	44%	0.443	S	S	.	.	H	α-helix	trans	-67	-47.5	175.6	-72.6	177.2	-162.2	0	0	111.4	R352 Q353 M358 T359 I360	R352-E356 PolarHBondContact O-N 2.9Å; Q353-E356 PolarHBondContact O-N 3.17Å; Q353-E356 VanDerWaalsContact O-N 3.15Å; E356-M358 VanDerWaalsContact C-N 3.31Å; E356-M358 PolarHBondContact O-N 2.88Å; E356-T359 WeakPolarHBondContact O-CA 3.27Å; E356-T359 WeakPolarHBondContact O-CB 3.43Å; E356-T359 PolarHBondContact O-N 3.48Å; E356-I360 WeakPolarHBondContact O-CG1 3.46Å; E356-I360 PolarHBondContact O-N 3.04Å
357	D	85.9	Confident	87.6	Confident	53 Å²	53	86.9 Å²	86.9	28%	0.283	44%	0.44	S	S	.	.	H	α-helix	trans	-57.6	-43.6	177.2	-63.2	-20.7	0	0	0	111.4	Q353 Q354 I360 L361	Q353-D357 PolarHBondContact NE2-OD1 3.02Å; Q353-D357 WeakPolarHBondContact O-CB 3.31Å; Q353-D357 PolarHBondContact O-N 3.45Å; Q354-D357 PolarHBondContact NE2-OD2 3.19Å; Q354-D357 VanDerWaalsContact NE2-OD2 3.09Å; D357-I360 PolarHBondContact O-N 3.11Å; D357-L361 PolarHBondContact O-N 3.41Å
358	M	84.8	Confident	87.6	Confident	95 Å²	95	84 Å²	84	47%	0.468	43%	0.43	S	S	.	.	H	α-helix	trans	-67.2	-34.2	175.4	-174.2	126.8	58.1	0	0	112.5	Q354 E356 L361 L362 F404	Q354-M358 VanDerWaalsContact O-CB 3.26Å; Q354-M358 WeakPolarHBondContact O-CB 3.41Å; Q354-M358 PolarHBondContact O-N 3.39Å; E356-M358 VanDerWaalsContact C-N 3.31Å; E356-M358 PolarHBondContact O-N 2.88Å; M358-L361 PolarHBondContact O-N 3.1Å; M358-L362 HydrophobicContact CG-CD1 4.45Å; M358-L362 VanDerWaalsContact O-CG 3.31Å; M358-L362 WeakPolarHBondContact O-CG 3.31Å; M358-L362 PolarHBondContact O-N 3.45Å; M358-F404 HydrophobicContact CB-CE1 4.24Å; M358-F404 HydrophobicContact CG-CE1 4.42Å; M358-F404 HydrophobicContact SD-CD1 4.37Å; M358-F404 HydrophobicContact SD-CE1 3.88Å
359	T	88.6	Confident	87.5	Confident	87 Å²	87	83.2 Å²	83.2	53%	0.534	43%	0.431	S	S	.	.	H	α-helix	trans	-67	-38.7	174.4	-57.3	0	0	0	0	111.3	Q355 E356 L362 S363	Q355-T359 WeakPolarHBondContact O-CB 3.49Å; Q355-T359 PolarHBondContact O-N 2.98Å; Q355-T359 PolarHBondContact O-OG1 3.37Å; E356-T359 WeakPolarHBondContact O-CA 3.27Å; E356-T359 WeakPolarHBondContact O-CB 3.43Å; E356-T359 PolarHBondContact O-N 3.48Å; T359-L362 PolarHBondContact O-N 2.73Å; T359-S363 PolarHBondContact O-N 3.45Å; T359-S363 VanDerWaalsContact O-N 3.09Å
360	I	87.2	Confident	87.5	Confident	94 Å²	94	83.1 Å²	83.1	48%	0.482	43%	0.431	S	S	.	.	H	α-helix	trans	-64.3	-45.4	173.7	-66.1	165.1	0	0	0	110.4	E356 D357 L362 S363 Q364	E356-I360 WeakPolarHBondContact O-CG1 3.46Å; E356-I360 PolarHBondContact O-N 3.04Å; D357-I360 PolarHBondContact O-N 3.11Å; I360-L362 PolarHBondContact O-N 3.26Å; I360-S363 WeakPolarHBondContact O-CB 3.32Å; I360-S363 PolarHBondContact O-N 3.19Å; I360-Q364 WeakPolarHBondContact O-CG 3.46Å; I360-Q364 PolarHBondContact O-N 3.13Å
361	L	84.8	Confident	87.4	Confident	28 Å²	28	80.6 Å²	80.6	15%	0.147	42%	0.424	C	S	.	.	H	α-helix	trans	-58.8	-47.3	176	-176.7	72.7	0	0	0	111.6	D357 M358 S363 Q364 V365 Q400 F404	D357-L361 PolarHBondContact O-N 3.41Å; M358-L361 PolarHBondContact O-N 3.1Å; L361-S363 VanDerWaalsContact C-N 3.27Å; L361-S363 PolarHBondContact O-N 2.96Å; L361-Q364 WeakPolarHBondContact O-CB 3.36Å; L361-Q364 PolarHBondContact O-N 3.46Å; L361-Q364 VanDerWaalsContact O-N 3.09Å; L361-V365 HydrophobicContact CG-CG2 4.36Å; L361-V365 WeakPolarHBondContact O-CG2 3.42Å; L361-V365 PolarHBondContact O-N 3.4Å; L361-Q400 HydrophobicContact CD1-CB 3.81Å; L361-Q400 HydrophobicContact CD1-CG 4.31Å; L361-F404 HydrophobicContact CB-CE2 4.36Å; L361-F404 HydrophobicContact CB-CZ 4.34Å; L361-F404 HydrophobicContact CD2-CD1 4.36Å; L361-F404 HydrophobicContact CD2-CD2 3.77Å; L361-F404 HydrophobicContact CD2-CE1 4.27Å; L361-F404 HydrophobicContact CD2-CE2 3.66Å; L361-F404 HydrophobicContact CD2-CG 4.12Å; L361-F404 HydrophobicContact CD2-CZ 3.92Å; L361-F404 HydrophobicContact CG-CE2 4.4Å
362	L	87.4	Confident	87.5	Confident	115 Å²	115	79.3 Å²	79.3	60%	0.602	42%	0.42	S	S	*	.	H	α-helix	trans	-59.4	-38	178.1	-73.6	169.4	0	0	0	112.1	M358 T359 I360 S366	M358-L362 HydrophobicContact CG-CD1 4.45Å; M358-L362 VanDerWaalsContact O-CG 3.31Å; M358-L362 WeakPolarHBondContact O-CG 3.31Å; M358-L362 PolarHBondContact O-N 3.45Å; T359-L362 PolarHBondContact O-N 2.73Å; I360-L362 PolarHBondContact O-N 3.26Å; L362-S366 WeakPolarHBondContact O-CB 3.31Å; L362-S366 PolarHBondContact O-N 3.05Å
363	S	89.2	Confident	87.4	Confident	74 Å²	74	77.7 Å²	77.7	52%	0.517	42%	0.419	S	S	.	.	H	α-helix	trans	-65.9	-40.9	173.8	-172.2	0	0	0	0	112.5	T359 I360 L361 S366 T367	T359-S363 PolarHBondContact O-N 3.45Å; T359-S363 VanDerWaalsContact O-N 3.09Å; I360-S363 WeakPolarHBondContact O-CB 3.32Å; I360-S363 PolarHBondContact O-N 3.19Å; L361-S363 VanDerWaalsContact C-N 3.27Å; L361-S363 PolarHBondContact O-N 2.96Å; S363-S366 PolarHBondContact O-N 2.9Å; S363-T367 WeakPolarHBondContact O-CB 3.34Å; S363-T367 PolarHBondContact O-N 2.89Å; S363-T367 PolarHBondContact O-OG1 2.89Å
364	Q	85.6	Confident	87.4	Confident	82 Å²	82	80 Å²	80	38%	0.383	43%	0.427	S	S	.	.	H	α-helix	trans	-65	-46.1	176.1	-71.2	174.4	-3.9	0	0	111.7	I360 L361 T367 A368	I360-Q364 WeakPolarHBondContact O-CG 3.46Å; I360-Q364 PolarHBondContact O-N 3.13Å; L361-Q364 WeakPolarHBondContact O-CB 3.36Å; L361-Q364 PolarHBondContact O-N 3.46Å; L361-Q364 VanDerWaalsContact O-N 3.09Å; Q364-T367 PolarHBondContact O-N 3.47Å; Q364-A368 WeakPolarHBondContact O-CB 3.4Å; Q364-A368 PolarHBondContact O-N 3.36Å
365	V	87.9	Confident	87.6	Confident	54 Å²	54	78.3 Å²	78.3	33%	0.327	42%	0.42	S	S	.	.	H	α-helix	trans	-58.1	-50.2	173.7	172.7	0	0	0	0	110.5	L361 T367 A368 C369 L397	L361-V365 HydrophobicContact CG-CG2 4.36Å; L361-V365 WeakPolarHBondContact O-CG2 3.42Å; L361-V365 PolarHBondContact O-N 3.4Å; V365-T367 VanDerWaalsContact C-N 3.28Å; V365-T367 PolarHBondContact O-N 2.98Å; V365-A368 PolarHBondContact O-N 2.87Å; V365-C369 PolarHBondContact O-N 3.44Å; V365-C369 PolarHBondContact O-SG 3.48Å; V365-C369 VanDerWaalsContact O-SG 3.34Å; V365-L397 HydrophobicContact CG2-CD2 3.72Å
366	S	89.3	Confident	87.7	Confident	78 Å²	78	78.6 Å²	78.6	55%	0.545	43%	0.425	S	S	.	.	H	α-helix	trans	-60.6	-37.1	178.9	-171.9	0	0	0	0	112.6	L362 S363 L370	L362-S366 WeakPolarHBondContact O-CB 3.31Å; L362-S366 PolarHBondContact O-N 3.05Å; S363-S366 PolarHBondContact O-N 2.9Å; S366-L370 WeakPolarHBondContact O-CB 3.46Å; S366-L370 PolarHBondContact O-N 2.95Å
367	T	87.8	Confident	87.7	Confident	88 Å²	88	81.3 Å²	81.3	54%	0.54	44%	0.438	S	S	.	.	H	α-helix	trans	-69.5	-41.6	177.7	-57	0	0	0	0	111.3	S363 Q364 V365 L370 H371	S363-T367 WeakPolarHBondContact O-CB 3.34Å; S363-T367 PolarHBondContact O-N 2.89Å; S363-T367 PolarHBondContact O-OG1 2.89Å; Q364-T367 PolarHBondContact O-N 3.47Å; V365-T367 VanDerWaalsContact C-N 3.28Å; V365-T367 PolarHBondContact O-N 2.98Å; T367-L370 PolarHBondContact O-N 3.15Å; T367-H371 WeakPolarHBondContact O-CB 3.49Å; T367-H371 PolarHBondContact O-N 2.96Å
368	A	86.9	Confident	87.9	Confident	7 Å²	7	81.1 Å²	81.1	6%	0.058	44%	0.435	C	S	.	.	H	α-helix	trans	-65.4	-42.3	176	0	0	0	0	0	112	Q364 V365 H371 C372 L397	Q364-A368 WeakPolarHBondContact O-CB 3.4Å; Q364-A368 PolarHBondContact O-N 3.36Å; V365-A368 PolarHBondContact O-N 2.87Å; A368-H371 PolarHBondContact O-N 3.18Å; A368-C372 PolarHBondContact O-N 3.12Å; A368-C372 PolarHBondContact O-SG 3.09Å; A368-L397 HydrophobicContact CB-CD1 3.75Å
369	C	87.9	Confident	88.2	Confident	63 Å²	63	80.7 Å²	80.7	43%	0.426	44%	0.435	S	S	.	.	H	α-helix	trans	-58.1	-51.6	173.4	-70.7	0	0	0	0	111.4	V365 H371 C372 E373	V365-C369 PolarHBondContact O-N 3.44Å; V365-C369 PolarHBondContact O-SG 3.48Å; V365-C369 VanDerWaalsContact O-SG 3.34Å; C369-H371 VanDerWaalsContact C-N 3.29Å; C369-H371 PolarHBondContact O-N 3.44Å; C369-C372 PolarHBondContact O-N 3.4Å; C369-C372 VanDerWaalsContact O-N 3.13Å; C369-E373 WeakPolarHBondContact O-CG 3.46Å; C369-E373 PolarHBondContact O-N 3.49Å
370	L	89	Confident	88.3	Confident	112 Å²	112	83.2 Å²	83.2	59%	0.586	45%	0.445	S	S	*	.	H	α-helix	trans	-60.6	-37.8	178.4	-174.4	70.2	0	0	0	112.4	S366 T367 K374	S366-L370 WeakPolarHBondContact O-CB 3.46Å; S366-L370 PolarHBondContact O-N 2.95Å; T367-L370 PolarHBondContact O-N 3.15Å; L370-K374 VanDerWaalsContact O-CB 3.24Å; L370-K374 WeakPolarHBondContact O-CB 3.49Å; L370-K374 PolarHBondContact O-N 3.35Å
371	H	87.6	Confident	88.4	Confident	62 Å²	62	83.2 Å²	83.2	29%	0.287	45%	0.452	S	S	.	.	H	α-helix	trans	-65.5	-43.4	175	-179.8	89.3	0	0	0	111.7	T367 A368 C369 K374 T375	T367-H371 WeakPolarHBondContact O-CB 3.49Å; T367-H371 PolarHBondContact O-N 2.96Å; A368-H371 PolarHBondContact O-N 3.18Å; C369-H371 VanDerWaalsContact C-N 3.29Å; C369-H371 PolarHBondContact O-N 3.44Å; H371-K374 PolarHBondContact O-N 2.83Å; H371-T375 WeakPolarHBondContact O-CB 3.27Å; H371-T375 PolarHBondContact O-N 3.02Å; H371-T375 PolarHBondContact O-OG1 3.12Å; H371-T375 VanDerWaalsContact O-OG1 3.1Å
372	C	86.9	Confident	88.5	Confident	41 Å²	41	88.3 Å²	88.3	28%	0.277	47%	0.47	S	S	.	.	H	α-helix	trans	-62.7	-47.4	175.8	-66.6	0	0	0	0	111.7	A368 C369 K374 T375 L376	A368-C372 PolarHBondContact O-N 3.12Å; A368-C372 PolarHBondContact O-SG 3.09Å; C369-C372 PolarHBondContact O-N 3.4Å; C369-C372 VanDerWaalsContact O-N 3.13Å; C372-K374 PolarHBondContact O-N 3.48Å; C372-T375 PolarHBondContact O-N 3.41Å; C372-L376 WeakPolarHBondContact O-CG 3.18Å; C372-L376 PolarHBondContact O-N 2.88Å
373	E	89.2	Confident	88.6	Confident	114 Å²	114	85.4 Å²	85.4	53%	0.533	46%	0.456	S	S	.	.	H	α-helix	trans	-57.7	-45.4	175.7	-72.9	176.5	-179.9	0	0	112.1	C369 T375 L376 Q377	C369-E373 WeakPolarHBondContact O-CG 3.46Å; C369-E373 PolarHBondContact O-N 3.49Å; E373-T375 VanDerWaalsContact C-N 3.31Å; E373-T375 PolarHBondContact O-N 3.2Å; E373-L376 PolarHBondContact O-N 3.47Å; E373-Q377 PolarHBondContact O-N 3.2Å
374	K	89.3	Confident	88.5	Confident	142 Å²	142	87 Å²	87	62%	0.617	46%	0.463	S	S	*	.	H	α-helix	trans	-67	-30.9	178.5	-174.2	176	-178.4	178.9	0	112.9	L370 H371 C372 Q378	L370-K374 VanDerWaalsContact O-CB 3.24Å; L370-K374 WeakPolarHBondContact O-CB 3.49Å; L370-K374 PolarHBondContact O-N 3.35Å; H371-K374 PolarHBondContact O-N 2.83Å; C372-K374 PolarHBondContact O-N 3.48Å; K374-Q378 PolarHBondContact O-NE2 2.86Å
375	T	88.6	Confident	88.6	Confident	7 Å²	7	89.8 Å²	89.8	4%	0.043	48%	0.48	C	S	.	.	H	α-helix	trans	-75.4	-39.3	175.1	-65.4	0	0	0	0	111.2	H371 C372 E373 Q377 Q378 V383 A386 I390	H371-T375 WeakPolarHBondContact O-CB 3.27Å; H371-T375 PolarHBondContact O-N 3.02Å; H371-T375 PolarHBondContact O-OG1 3.12Å; H371-T375 VanDerWaalsContact O-OG1 3.1Å; C372-T375 PolarHBondContact O-N 3.41Å; E373-T375 VanDerWaalsContact C-N 3.31Å; E373-T375 PolarHBondContact O-N 3.2Å; T375-Q377 PolarHBondContact O-N 3Å; T375-Q377 VanDerWaalsContact O-N 3.11Å; T375-Q378 WeakPolarHBondContact O-CB 3.45Å; T375-Q378 PolarHBondContact O-N 3.42Å; T375-V383 WeakPolarHBondContact O-CG2 3.41Å; T375-A386 HydrophobicContact CG2-CB 3.59Å; T375-I390 HydrophobicContact CG2-CD1 3.76Å
376	L	87.8	Confident	88.7	Confident	140 Å²	140	87.8 Å²	87.8	73%	0.733	47%	0.469	S	S	*	.	H	α-helix	trans	-60.6	-18.6	175.1	-73.9	167.1	0	0	0	114.3	C372 E373	C372-L376 WeakPolarHBondContact O-CG 3.18Å; C372-L376 PolarHBondContact O-N 2.88Å; E373-L376 PolarHBondContact O-N 3.47Å
377	Q	90.3	Very high	88.6	Confident	171 Å²	171	90.5 Å²	90.5	80%	0.799	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	2.4	176.4	-66.6	178.4	9.5	0	0	114.2	E373 T375	E373-Q377 PolarHBondContact O-N 3.2Å; T375-Q377 PolarHBondContact O-N 3Å; T375-Q377 VanDerWaalsContact O-N 3.11Å
378	Q	90.3	Very high	88.6	Confident	49 Å²	49	94.3 Å²	94.3	23%	0.229	48%	0.482	C	S	.	.	S	Bend	trans	-94.6	170.4	-179.9	-68.7	171.1	48.1	0	0	112.1	K374 T375 R382	K374-Q378 PolarHBondContact O-NE2 2.86Å; T375-Q378 WeakPolarHBondContact O-CB 3.45Å; T375-Q378 PolarHBondContact O-N 3.42Å; Q378-R382 HydrophobicContact CB-CB 4.07Å
379	D	90.3	Very high	88.5	Confident	87 Å²	87	100 Å²	100	47%	0.465	51%	0.508	S	S	.	.			trans	-66.4	151.5	174.1	60.6	-75.2	0	0	0	112.4	C381 R382 V383	D379-C381 PolarHBondContact O-N 2.81Å; D379-C381 WeakPolarHBondContact OD2-CB 3.4Å; D379-R382 PolarHBondContact O-N 3.2Å; D379-R382 WeakPolarHBondContact OD1-CD 3.49Å; D379-R382 VanDerWaalsContact OD1-CG 3.29Å; D379-R382 WeakPolarHBondContact OD1-CG 3.34Å; D379-R382 PolarHBondContact OD2-N 3.49Å; D379-V383 PolarHBondContact O-N 2.86Å; D379-V383 VanDerWaalsContact O-N 3.11Å
380	D	90.3	Very high	88.4	Confident	139 Å²	139	99 Å²	99	74%	0.743	50%	0.498	S	S	*	.	H	α-helix	trans	-50.7	-38.8	-173.9	-62.7	-31.2	0	0	0	113.3	R382 V383 V384	D380-R382 PolarHBondContact O-N 3.08Å; D380-V383 PolarHBondContact O-N 3.18Å; D380-V384 WeakPolarHBondContact O-CG2 3.36Å; D380-V384 PolarHBondContact O-N 2.98Å
381	C	89.8	Confident	88.3	Confident	94 Å²	94	97.3 Å²	97.3	64%	0.635	49%	0.489	S	S	*	.	H	α-helix	trans	-61.3	-42.5	178.3	-67	0	0	0	0	111.9	D379 L385	D379-C381 PolarHBondContact O-N 2.81Å; D379-C381 WeakPolarHBondContact OD2-CB 3.4Å; C381-L385 WeakPolarHBondContact O-CG 3.19Å; C381-L385 PolarHBondContact O-N 3.49Å
382	R	87.1	Confident	88.3	Confident	136 Å²	136	98 Å²	98	51%	0.513	50%	0.5	S	S	.	.	H	α-helix	trans	-74.1	-35.3	179	-66.3	-171.1	72.6	-170.2	-3.9	112.7	Q378 D379 D380 V384 L385 A386	Q378-R382 HydrophobicContact CB-CB 4.07Å; D379-R382 PolarHBondContact O-N 3.2Å; D379-R382 WeakPolarHBondContact OD1-CD 3.49Å; D379-R382 VanDerWaalsContact OD1-CG 3.29Å; D379-R382 WeakPolarHBondContact OD1-CG 3.34Å; D379-R382 PolarHBondContact OD2-N 3.49Å; D380-R382 PolarHBondContact O-N 3.08Å; R382-V384 VanDerWaalsContact C-N 3.32Å; R382-V384 PolarHBondContact O-N 2.92Å; R382-L385 PolarHBondContact O-N 3.07Å; R382-A386 WeakPolarHBondContact O-CB 3.42Å; R382-A386 PolarHBondContact O-N 3.08Å
383	V	88.8	Confident	88.2	Confident	53 Å²	53	99.2 Å²	99.2	32%	0.321	50%	0.504	S	S	.	.	H	α-helix	trans	-59.5	-44.3	173	179.2	0	0	0	0	110.8	T375 D379 D380 L385 A386 K387	T375-V383 WeakPolarHBondContact O-CG2 3.41Å; D379-V383 PolarHBondContact O-N 2.86Å; D379-V383 VanDerWaalsContact O-N 3.11Å; D380-V383 PolarHBondContact O-N 3.18Å; V383-L385 PolarHBondContact O-N 3.45Å; V383-A386 PolarHBondContact O-N 2.92Å; V383-K387 PolarHBondContact O-N 3.43Å
384	V	88.3	Confident	88	Confident	109 Å²	109	98 Å²	98	66%	0.661	50%	0.501	S	S	*	.	H	α-helix	trans	-64.4	-39.7	177.8	171.5	0	0	0	0	111.9	D380 R382 K387	D380-V384 WeakPolarHBondContact O-CG2 3.36Å; D380-V384 PolarHBondContact O-N 2.98Å; R382-V384 VanDerWaalsContact C-N 3.32Å; R382-V384 PolarHBondContact O-N 2.92Å; V384-K387 WeakPolarHBondContact O-CB 3.05Å; V384-K387 PolarHBondContact O-N 2.81Å
385	L	88.4	Confident	87.9	Confident	140 Å²	140	96.3 Å²	96.3	73%	0.733	50%	0.495	S	S	*	.	H	α-helix	trans	-66.6	-38.8	176.8	-70.2	169.7	0	0	0	112.7	C381 R382 V383 K387	C381-L385 WeakPolarHBondContact O-CG 3.19Å; C381-L385 PolarHBondContact O-N 3.49Å; R382-L385 PolarHBondContact O-N 3.07Å; V383-L385 PolarHBondContact O-N 3.45Å; L385-K387 PolarHBondContact O-N 3.04Å
386	A	88.3	Confident	87.8	Confident	12 Å²	12	99.1 Å²	99.1	10%	0.099	51%	0.512	C	S	.	.	H	α-helix	trans	-72.6	-10.2	-179.8	0	0	0	0	0	114.5	T375 R382 V383 Q388 E389 I390	T375-A386 HydrophobicContact CG2-CB 3.59Å; R382-A386 WeakPolarHBondContact O-CB 3.42Å; R382-A386 PolarHBondContact O-N 3.08Å; V383-A386 PolarHBondContact O-N 2.92Å; A386-Q388 VanDerWaalsContact C-N 3.28Å; A386-Q388 PolarHBondContact O-N 3.31Å; A386-E389 PolarHBondContact O-N 3.31Å; A386-E389 VanDerWaalsContact O-N 3.12Å; A386-I390 HydrophobicContact CB-CD1 4.49Å; A386-I390 PolarHBondContact O-N 3.34Å
387	K	87.3	Confident	87.6	Confident	135 Å²	135	94.4 Å²	94.4	59%	0.587	49%	0.487	S	S	*	.	H	α-helix	trans	-52.7	-40.4	-176.8	-179.4	179.9	177.1	-179.9	0	113.8	V383 V384 L385 N391	V383-K387 PolarHBondContact O-N 3.43Å; V384-K387 WeakPolarHBondContact O-CB 3.05Å; V384-K387 PolarHBondContact O-N 2.81Å; L385-K387 PolarHBondContact O-N 3.04Å; K387-N391 WeakPolarHBondContact O-CB 3.5Å; K387-N391 PolarHBondContact O-N 3.4Å
388	Q	87.4	Confident	87.4	Confident	168 Å²	168	91.3 Å²	91.3	79%	0.785	47%	0.473	S	S	*	.	H	α-helix	trans	-71.6	-37.7	-179.3	-78.2	179.2	-42.8	0	0	112.4	A386 C392	A386-Q388 VanDerWaalsContact C-N 3.28Å; A386-Q388 PolarHBondContact O-N 3.31Å; Q388-C392 WeakPolarHBondContact O-CB 3.15Å; Q388-C392 PolarHBondContact O-N 2.78Å; Q388-C392 VanDerWaalsContact O-N 3.12Å
389	E	86.5	Confident	87.1	Confident	126 Å²	126	95.3 Å²	95.3	59%	0.589	49%	0.489	S	S	*	.	H	α-helix	trans	-67.1	-44.9	175.7	-67.2	-173.4	139	0	0	111.3	A386 C392 L393	A386-E389 PolarHBondContact O-N 3.31Å; A386-E389 VanDerWaalsContact O-N 3.12Å; E389-C392 WeakPolarHBondContact O-CB 3.08Å; E389-C392 PolarHBondContact O-N 2.7Å; E389-L393 WeakPolarHBondContact O-CG 3.38Å; E389-L393 PolarHBondContact O-N 2.89Å
390	I	85.8	Confident	86.6	Confident	42 Å²	42	93.2 Å²	93.2	22%	0.215	48%	0.477	C	S	.	.	H	α-helix	trans	-64.5	-42	178.8	-69.1	178.7	0	0	0	111.7	T375 A386 C392 L393 L394	T375-I390 HydrophobicContact CG2-CD1 3.76Å; A386-I390 HydrophobicContact CB-CD1 4.49Å; A386-I390 PolarHBondContact O-N 3.34Å; I390-C392 VanDerWaalsContact C-N 3.33Å; I390-C392 PolarHBondContact O-N 3.09Å; I390-L393 PolarHBondContact O-N 2.88Å; I390-L394 WeakPolarHBondContact O-CB 3.31Å; I390-L394 PolarHBondContact O-N 3.44Å
391	N	86.7	Confident	86.2	Confident	77 Å²	77	92.8 Å²	92.8	41%	0.412	47%	0.47	S	S	.	.	H	α-helix	trans	-62.5	-40.6	175.1	-79.8	5.3	0	0	0	111.9	K387 L394 E395	K387-N391 WeakPolarHBondContact O-CB 3.5Å; K387-N391 PolarHBondContact O-N 3.4Å; N391-L394 PolarHBondContact O-N 3.21Å; N391-E395 WeakPolarHBondContact O-CG 3.44Å; N391-E395 PolarHBondContact O-N 3.49Å
392	C	87.3	Confident	85.6	Confident	77 Å²	77	94.1 Å²	94.1	52%	0.52	47%	0.467	S	S	.	.	H	α-helix	trans	-63.5	-42.3	176.7	-172.1	0	0	0	0	112.2	Q388 E389 I390 T396	Q388-C392 WeakPolarHBondContact O-CB 3.15Å; Q388-C392 PolarHBondContact O-N 2.78Å; Q388-C392 VanDerWaalsContact O-N 3.12Å; E389-C392 WeakPolarHBondContact O-CB 3.08Å; E389-C392 PolarHBondContact O-N 2.7Å; I390-C392 VanDerWaalsContact C-N 3.33Å; I390-C392 PolarHBondContact O-N 3.09Å; C392-T396 WeakPolarHBondContact O-CB 3.45Å; C392-T396 PolarHBondContact O-N 3.14Å; C392-T396 VanDerWaalsContact O-N 3.08Å; C392-T396 PolarHBondContact O-OG1 3.36Å
393	L	85.8	Confident	85.2	Confident	66 Å²	66	93.4 Å²	93.4	35%	0.346	47%	0.47	S	S	.	.	H	α-helix	trans	-60.9	-45	172.9	-74.8	166.3	0	0	0	111.6	E389 I390 T396 L397	E389-L393 WeakPolarHBondContact O-CG 3.38Å; E389-L393 PolarHBondContact O-N 2.89Å; I390-L393 PolarHBondContact O-N 2.88Å; L393-T396 PolarHBondContact O-N 3.35Å; L393-L397 WeakPolarHBondContact O-CG 3.38Å; L393-L397 PolarHBondContact O-N 3.2Å
394	L	84.1	Confident	84.5	Confident	89 Å²	89	93.8 Å²	93.8	47%	0.466	47%	0.467	S	S	.	.	H	α-helix	trans	-64	-45.7	179.5	-172.9	69	0	0	0	112.2	I390 N391 T396 L397 Q398	I390-L394 WeakPolarHBondContact O-CB 3.31Å; I390-L394 PolarHBondContact O-N 3.44Å; N391-L394 PolarHBondContact O-N 3.21Å; L394-T396 PolarHBondContact O-N 2.97Å; L394-L397 PolarHBondContact O-N 3.48Å; L394-Q398 WeakPolarHBondContact O-CB 3.39Å; L394-Q398 WeakPolarHBondContact O-CG 3.38Å; L394-Q398 PolarHBondContact O-N 3.23Å
395	E	87.8	Confident	83.9	Confident	106 Å²	106	92.2 Å²	92.2	50%	0.495	46%	0.457	S	S	.	.	H	α-helix	trans	-60.7	-35.2	175.3	-76.6	-177.8	-155.1	0	0	112.4	N391 K399	N391-E395 WeakPolarHBondContact O-CG 3.44Å; N391-E395 PolarHBondContact O-N 3.49Å; E395-K399 WeakPolarHBondContact O-CG 3.42Å; E395-K399 PolarHBondContact O-N 2.94Å; E395-K399 VanDerWaalsContact O-N 3.14Å
396	T	85.3	Confident	83.1	Confident	66 Å²	66	91.1 Å²	91.1	41%	0.405	45%	0.449	S	S	.	.	H	α-helix	trans	-68.1	-47.5	177.6	-56	0	0	0	0	110.8	C392 L393 L394 Q398 K399 Q400	C392-T396 WeakPolarHBondContact O-CB 3.45Å; C392-T396 PolarHBondContact O-N 3.14Å; C392-T396 VanDerWaalsContact O-N 3.08Å; C392-T396 PolarHBondContact O-OG1 3.36Å; L393-T396 PolarHBondContact O-N 3.35Å; L394-T396 PolarHBondContact O-N 2.97Å; T396-Q398 PolarHBondContact O-N 3.49Å; T396-K399 PolarHBondContact O-N 2.98Å; T396-Q400 WeakPolarHBondContact O-CG 3.36Å; T396-Q400 PolarHBondContact O-N 3.03Å; T396-Q400 VanDerWaalsContact O-N 3.14Å
397	L	84.3	Confident	82.2	Confident	41 Å²	41	94 Å²	94	22%	0.215	46%	0.462	C	S	.	.	H	α-helix	trans	-63.2	-39.3	176.1	-70.9	177.9	0	0	0	112.5	V365 A368 L393 L394 Q400 Q401	V365-L397 HydrophobicContact CG2-CD2 3.72Å; A368-L397 HydrophobicContact CB-CD1 3.75Å; L393-L397 WeakPolarHBondContact O-CG 3.38Å; L393-L397 PolarHBondContact O-N 3.2Å; L394-L397 PolarHBondContact O-N 3.48Å; L397-Q400 PolarHBondContact O-N 3.26Å; L397-Q401 WeakPolarHBondContact O-CB 3.2Å; L397-Q401 PolarHBondContact O-N 3.02Å
398	Q	84.9	Confident	81.2	Confident	106 Å²	106	90.7 Å²	90.7	50%	0.495	46%	0.46	S	S	.	.	H	α-helix	trans	-64.2	-39.8	177	-76.6	177.9	-14.4	0	0	112.5	L394 T396 Q401 H402	L394-Q398 WeakPolarHBondContact O-CB 3.39Å; L394-Q398 WeakPolarHBondContact O-CG 3.38Å; L394-Q398 PolarHBondContact O-N 3.23Å; T396-Q398 PolarHBondContact O-N 3.49Å; Q398-Q401 PolarHBondContact O-N 3.15Å; Q398-H402 PolarHBondContact O-N 3.08Å; Q398-H402 VanDerWaalsContact O-N 3.13Å
399	K	84.6	Confident	80	Confident	133 Å²	133	89.2 Å²	89.2	58%	0.578	46%	0.457	S	S	*	.	H	α-helix	trans	-62.9	-44	174.3	-74.6	166.1	-175.6	160.2	0	111.6	E395 T396 H402 Q403	E395-K399 WeakPolarHBondContact O-CG 3.42Å; E395-K399 PolarHBondContact O-N 2.94Å; E395-K399 VanDerWaalsContact O-N 3.14Å; T396-K399 PolarHBondContact O-N 2.98Å; K399-H402 PolarHBondContact O-N 2.76Å; K399-Q403 PolarHBondContact O-N 3.35Å
400	Q	80.6	Confident	78.8	Confident	42 Å²	42	90.8 Å²	90.8	20%	0.196	46%	0.464	C	S	.	.	H	α-helix	trans	-64.6	-41.9	176.3	-69.5	174.3	-42.3	0	0	111.9	L361 T396 L397 H402 Q403 F404	L361-Q400 HydrophobicContact CD1-CB 3.81Å; L361-Q400 HydrophobicContact CD1-CG 4.31Å; T396-Q400 WeakPolarHBondContact O-CG 3.36Å; T396-Q400 PolarHBondContact O-N 3.03Å; T396-Q400 VanDerWaalsContact O-N 3.14Å; L397-Q400 PolarHBondContact O-N 3.26Å; Q400-H402 VanDerWaalsContact C-N 3.27Å; Q400-H402 PolarHBondContact O-N 3.03Å; Q400-Q403 PolarHBondContact O-N 3.03Å; Q400-F404 WeakPolarHBondContact O-CD2 3.13Å; Q400-F404 PolarHBondContact O-N 3.37Å
401	Q	80.6	Confident	77.7	Confident	130 Å²	130	91 Å²	91	61%	0.607	47%	0.467	S	S	*	.	H	α-helix	trans	-58.8	-37.6	176.4	-174.6	-178.6	10	0	0	112.4	L397 Q398 T405	L397-Q401 WeakPolarHBondContact O-CB 3.2Å; L397-Q401 PolarHBondContact O-N 3.02Å; Q398-Q401 PolarHBondContact O-N 3.15Å; Q401-T405 PolarHBondContact O-N 3.48Å; Q401-T405 PolarHBondContact O-OG1 3.03Å
402	H	78.9	Confident	76.6	Confident	123 Å²	123	94.4 Å²	94.4	57%	0.569	48%	0.481	S	S	*	.	H	α-helix	trans	-66.6	-47.9	177.4	-164	45.3	0	0	0	111.5	Q398 K399 Q400 F404 T405 E406	Q398-H402 PolarHBondContact O-N 3.08Å; Q398-H402 VanDerWaalsContact O-N 3.13Å; K399-H402 PolarHBondContact O-N 2.76Å; Q400-H402 VanDerWaalsContact C-N 3.27Å; Q400-H402 PolarHBondContact O-N 3.03Å; H402-F404 VanDerWaalsContact C-N 3.32Å; H402-F404 PolarHBondContact O-N 3.48Å; H402-T405 WeakPolarHBondContact O-CB 3.18Å; H402-T405 PolarHBondContact O-N 3.44Å; H402-T405 VanDerWaalsContact O-N 3.13Å; H402-E406 PolarHBondContact O-N 3.18Å; H402-E406 VanDerWaalsContact O-N 3.12Å
403	Q	77.6	Confident	75.6	Confident	121 Å²	121	98.2 Å²	98.2	57%	0.565	50%	0.495	S	S	*	.	H	α-helix	trans	-58.8	-41.6	175.2	-67.7	-175.2	-63.8	0	0	112.3	K399 Q400 T405 E406 L407	K399-Q403 PolarHBondContact O-N 3.35Å; Q400-Q403 PolarHBondContact O-N 3.03Å; Q403-T405 VanDerWaalsContact C-N 3.35Å; Q403-T405 PolarHBondContact O-N 3.35Å; Q403-E406 PolarHBondContact O-N 2.98Å; Q403-L407 WeakPolarHBondContact O-CD1 3.29Å; Q403-L407 PolarHBondContact O-N 3Å
404	F	74.6	Confident	74.9	Confident	61 Å²	61	100.4 Å²	100.4	27%	0.268	51%	0.507	S	S	.	.	H	α-helix	trans	-66.1	-34.6	176.9	-95	-93.6	0	0	0	113	M358 L361 Q400 H402 L407 A408	M358-F404 HydrophobicContact CB-CE1 4.24Å; M358-F404 HydrophobicContact CG-CE1 4.42Å; M358-F404 HydrophobicContact SD-CD1 4.37Å; M358-F404 HydrophobicContact SD-CE1 3.88Å; L361-F404 HydrophobicContact CB-CE2 4.36Å; L361-F404 HydrophobicContact CB-CZ 4.34Å; L361-F404 HydrophobicContact CD2-CD1 4.36Å; L361-F404 HydrophobicContact CD2-CD2 3.77Å; L361-F404 HydrophobicContact CD2-CE1 4.27Å; L361-F404 HydrophobicContact CD2-CE2 3.66Å; L361-F404 HydrophobicContact CD2-CG 4.12Å; L361-F404 HydrophobicContact CD2-CZ 3.92Å; L361-F404 HydrophobicContact CG-CE2 4.4Å; Q400-F404 WeakPolarHBondContact O-CD2 3.13Å; Q400-F404 PolarHBondContact O-N 3.37Å; H402-F404 VanDerWaalsContact C-N 3.32Å; H402-F404 PolarHBondContact O-N 3.48Å; F404-L407 PolarHBondContact O-N 3.46Å; F404-A408 VanDerWaalsContact O-CB 3.3Å; F404-A408 WeakPolarHBondContact O-CB 3.34Å; F404-A408 PolarHBondContact O-N 3.36Å
405	T	74.7	Confident	74.4	Confident	75 Å²	75	100.7 Å²	100.7	46%	0.46	52%	0.522	S	S	.	.	H	α-helix	trans	-64.4	-45.4	174.5	-51.1	0	0	0	0	111.1	Q401 H402 Q403 L407 A408 D409	Q401-T405 PolarHBondContact O-N 3.48Å; Q401-T405 PolarHBondContact O-OG1 3.03Å; H402-T405 WeakPolarHBondContact O-CB 3.18Å; H402-T405 PolarHBondContact O-N 3.44Å; H402-T405 VanDerWaalsContact O-N 3.13Å; Q403-T405 VanDerWaalsContact C-N 3.35Å; Q403-T405 PolarHBondContact O-N 3.35Å; T405-L407 VanDerWaalsContact C-N 3.33Å; T405-L407 PolarHBondContact O-N 3.33Å; T405-A408 PolarHBondContact O-N 3.06Å; T405-D409 PolarHBondContact O-N 3.11Å
406	E	72.8	Confident	73.9	Confident	117 Å²	117	97.1 Å²	97.1	55%	0.547	51%	0.514	S	S	.	.	H	α-helix	trans	-63.3	-36.5	176.4	-66.5	-176.7	139.3	0	0	112.7	H402 Q403 H410	H402-E406 PolarHBondContact O-N 3.18Å; H402-E406 VanDerWaalsContact O-N 3.12Å; Q403-E406 PolarHBondContact O-N 2.98Å; E406-H410 PolarHBondContact O-CD2 2.78Å
407	L	68.2	Low	73.6	Confident	74 Å²	74	97.3 Å²	97.3	39%	0.387	51%	0.512	S	S	.	.	H	α-helix	trans	-71.1	-40	175.1	-96.8	124.6	0	0	0	112.8	Q403 F404 T405 D409 H410 V411	Q403-L407 WeakPolarHBondContact O-CD1 3.29Å; Q403-L407 PolarHBondContact O-N 3Å; F404-L407 PolarHBondContact O-N 3.46Å; T405-L407 VanDerWaalsContact C-N 3.33Å; T405-L407 PolarHBondContact O-N 3.33Å; L407-D409 VanDerWaalsContact C-N 3.31Å; L407-D409 PolarHBondContact O-N 3.38Å; L407-H410 PolarHBondContact O-N 2.05Å; L407-V411 VanDerWaalsContact O-CG2 3.3Å; L407-V411 WeakPolarHBondContact O-CG2 3.41Å; L407-V411 PolarHBondContact O-N 3.42Å
408	A	66.6	Low	73.4	Confident	64 Å²	64	98 Å²	98	53%	0.529	52%	0.519	S	S	.	.	H	α-helix	trans	-59.5	-38.7	-176.3	0	0	0	0	0	112.9	F404 T405 H410 V411	F404-A408 VanDerWaalsContact O-CB 3.3Å; F404-A408 WeakPolarHBondContact O-CB 3.34Å; F404-A408 PolarHBondContact O-N 3.36Å; T405-A408 PolarHBondContact O-N 3.06Å; A408-H410 PolarHBondContact O-N 2.77Å; A408-V411 PolarHBondContact O-N 3.04Å
409	D	62.6	Low	73.2	Confident	137 Å²	137	95.2 Å²	95.2	73%	0.733	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-12.7	176.1	-75.3	-17.5	0	0	0	113.5	T405 L407	T405-D409 PolarHBondContact O-N 3.11Å; L407-D409 VanDerWaalsContact C-N 3.31Å; L407-D409 PolarHBondContact O-N 3.38Å
410	H	60.3	Low	73	Confident	160 Å²	160	89.5 Å²	89.5	74%	0.741	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-9.1	179.5	-67.5	-31.9	0	0	0	114.4	E406 L407 A408 Q412	E406-H410 PolarHBondContact O-CD2 2.78Å; L407-H410 PolarHBondContact O-N 2.05Å; A408-H410 PolarHBondContact O-N 2.77Å; H410-Q412 PolarHBondContact O-N 2.92Å; H410-Q412 VanDerWaalsContact O-N 3.13Å
411	V	64.1	Low	73.1	Confident	46 Å²	46	91.5 Å²	91.5	28%	0.279	49%	0.493	S	S	.	.			trans	-80.3	95.9	177.5	-169	0	0	0	0	111.1	W350 L407 A408 L413	W350-V411 HydrophobicContact CH2-CG1 4.26Å; W350-V411 HydrophobicContact CH2-CG2 4.08Å; W350-V411 HydrophobicContact CZ3-CG1 4.32Å; L407-V411 VanDerWaalsContact O-CG2 3.3Å; L407-V411 WeakPolarHBondContact O-CG2 3.41Å; L407-V411 PolarHBondContact O-N 3.42Å; A408-V411 PolarHBondContact O-N 3.04Å; V411-L413 HydrophobicContact CG1-CD2 3.86Å; V411-L413 HydrophobicContact CG1-CG 4.33Å; V411-L413 PolarHBondContact O-N 3.24Å
412	Q	62.2	Low	73.1	Confident	148 Å²	148	86.3 Å²	86.3	69%	0.692	47%	0.471	S	S	*	.			trans	-70.1	101.5	166.1	-73	-171.4	-29.6	0	0	110.7	R347 H410 D414	R347-Q412 PolarHBondContact NH2-O 2.73Å; H410-Q412 PolarHBondContact O-N 2.92Å; H410-Q412 VanDerWaalsContact O-N 3.13Å; Q412-D414 PolarHBondContact O-N 3.33Å
413	L	67.1	Low	73	Confident	157 Å²	157	85.4 Å²	85.4	82%	0.822	47%	0.465	S	S	*	.			trans	-73.9	3	178	-66.1	173.4	0	0	0	114.4	V411 A415	V411-L413 HydrophobicContact CG1-CD2 3.86Å; V411-L413 HydrophobicContact CG1-CG 4.33Å; V411-L413 PolarHBondContact O-N 3.24Å; L413-A415 PolarHBondContact O-N 3.16Å
414	D	70.4	Confident	72.9	Confident	112 Å²	112	83.3 Å²	83.3	60%	0.599	46%	0.457	S	S	*	.			trans	-68.2	119.9	176.9	-176.4	9.7	0	0	0	110.9	R347 Q412 G416	R347-D414 PolarHBondContact NH1-O 2.92Å; R347-D414 PolarHBondContact NH2-O 3.07Å; Q412-D414 PolarHBondContact O-N 3.33Å; D414-G416 PolarHBondContact O-N 3.03Å; D414-G416 PolarHBondContact OD1-N 2.86Å
415	A	74.1	Confident	73	Confident	95 Å²	95	84 Å²	84	79%	0.785	46%	0.464	S	S	*	.			trans	-73.4	-9.8	176.6	0	0	0	0	0	113.2	L413	L413-A415 PolarHBondContact O-N 3.16Å
416	G	77.4	Confident	73.2	Confident	31 Å²	31	88.2 Å²	88.2	32%	0.32	47%	0.472	S	S	.	.			trans	-57.5	138.7	174.9	0	0	0	0	0	113	R347 D414 P418	R347-G416 PolarHBondContact NH1-O 3.44Å; D414-G416 PolarHBondContact O-N 3.03Å; D414-G416 PolarHBondContact OD1-N 2.86Å; G416-P418 WeakPolarHBondContact O-CD 3.37Å
417	I	80.1	Confident	73.7	Confident	71 Å²	71	83.8 Å²	83.8	36%	0.364	45%	0.453	S	S	.	.			trans	-113.1	89.3	169.1	-56	169.2	0	0	0	106.3	V344 V419 I429	V344-I417 HydrophobicContact CG2-CD1 3.51Å; I417-V419 HydrophobicContact CG2-CG2 4.17Å; I417-V419 PolarHBondContact O-N 2.94Å; I417-I429 HydrophobicContact CG2-CG2 3.8Å
418	P	78.6	Confident	74.3	Confident	55 Å²	55	83.5 Å²	83.5	36%	0.357	45%	0.449	S	S	.	.			trans	-66.7	116.2	178.1	25.6	-33.8	0	0	0	110.1	G416 I429 G430 P431	G416-P418 WeakPolarHBondContact O-CD 3.37Å; P418-I429 WeakPolarHBondContact O-CA 3.45Å; P418-G430 PolarHBondContact O-N 3.25Å; P418-P431 HydrophobicContact CG-CB 4.36Å
419	V	82	Confident	75	Confident	47 Å²	47	81.6 Å²	81.6	29%	0.285	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.4	179.3	172.5	0	0	0	0	109.3	V340 I417 F421 V427 H428	V340-V419 HydrophobicContact CG2-CG2 4.49Å; I417-V419 HydrophobicContact CG2-CG2 4.17Å; I417-V419 PolarHBondContact O-N 2.94Å; V419-F421 HydrophobicContact CG1-CD2 4.34Å; V419-F421 HydrophobicContact CG1-CE1 4.5Å; V419-F421 HydrophobicContact CG1-CE2 3.77Å; V419-F421 HydrophobicContact CG1-CZ 3.86Å; V419-V427 HydrophobicContact CG1-CG1 4.1Å; V419-V427 HydrophobicContact CG1-CG2 4.42Å; V419-H428 WeakPolarHBondContact CA-O 3.28Å
420	T	80.2	Confident	75.5	Confident	13 Å²	13	75.7 Å²	75.7	8%	0.08	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.4	171.9	-64	0	0	0	0	109.5	H428 M433 V596	T420-H428 PolarHBondContact N-O 2.96Å; T420-H428 PolarHBondContact O-N 3.39Å; T420-M433 HydrophobicContact CG2-CE 4.26Å; T420-M433 HydrophobicContact CG2-SD 4.49Å; T420-V596 HydrophobicContact CG2-CG1 3.94Å; T420-V596 HydrophobicContact CG2-CG2 4.44Å
421	F	81.6	Confident	75.9	Confident	85 Å²	85	72.8 Å²	72.8	37%	0.373	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	135.1	175.1	-61	-91.1	0	0	0	111	V419 R426 V427 A597 V600	V419-F421 HydrophobicContact CG1-CD2 4.34Å; V419-F421 HydrophobicContact CG1-CE1 4.5Å; V419-F421 HydrophobicContact CG1-CE2 3.77Å; V419-F421 HydrophobicContact CG1-CZ 3.86Å; F421-R426 WeakPolarHBondContact CA-O 3.46Å; F421-V427 HydrophobicContact CD1-CG2 3.72Å; F421-V427 HydrophobicContact CE1-CG2 3.43Å; F421-V427 VanDerWaalsContact CE1-CG2 3.43Å; F421-V427 HydrophobicContact CZ-CG2 4.25Å; F421-A597 HydrophobicContact CB-CB 4.01Å; F421-A597 PolarHBondContact O-N 3.42Å; F421-V600 HydrophobicContact CB-CG2 4.25Å; F421-V600 HydrophobicContact CD2-CG1 4.05Å; F421-V600 HydrophobicContact CD2-CG2 3.92Å
422	T	81.1	Confident	76.6	Confident	21 Å²	21	74.1 Å²	74.1	13%	0.129	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-82.4	166.9	169.8	64.1	0	0	0	0	111.2	D424 N425 R426 M433 L595	T422-D424 WeakPolarHBondContact CB-OD1 3.4Å; T422-D424 PolarHBondContact O-N 3.27Å; T422-D424 PolarHBondContact OG1-OD1 2.87Å; T422-N425 PolarHBondContact O-N 3.46Å; T422-N425 VanDerWaalsContact O-N 3.13Å; T422-R426 HydrophobicContact CG2-CB 4.45Å; T422-R426 PolarHBondContact N-O 2.83Å; T422-R426 WeakPolarHBondContact OG1-CA 3.45Å; T422-R426 WeakPolarHBondContact OG1-CB 3.33Å; T422-R426 PolarHBondContact OG1-N 2.78Å; T422-R426 PolarHBondContact OG1-O 3.02Å; T422-M433 HydrophobicContact CG2-CE 4.44Å; T422-M433 HydrophobicContact CG2-SD 3.74Å; T422-L595 VanDerWaalsContact CA-O 3.29Å; T422-L595 WeakPolarHBondContact CA-O 3.46Å
423	K	76.5	Confident	77.6	Confident	104 Å²	104	67.4 Å²	67.4	45%	0.452	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.2	175.6	-76	-155.7	-177.3	177.5	0	115.4	N425 R593 Q594 L595	K423-N425 PolarHBondContact O-N 3.24Å; K423-R593 WeakPolarHBondContact CE-O 3.37Å; K423-R593 PolarHBondContact NZ-O 2.82Å; K423-Q594 WeakPolarHBondContact CD-O 3.38Å; K423-Q594 WeakPolarHBondContact CE-O 3.42Å; K423-Q594 WeakPolarHBondContact CG-O 3.28Å; K423-L595 PolarHBondContact N-O 3.48Å
424	D	74.9	Confident	78.5	Confident	76 Å²	76	64.9 Å²	64.9	41%	0.406	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	24	173.8	62.3	-39	0	0	0	112.7	T422 R426	T422-D424 WeakPolarHBondContact CB-OD1 3.4Å; T422-D424 PolarHBondContact O-N 3.27Å; T422-D424 PolarHBondContact OG1-OD1 2.87Å; D424-R426 PolarHBondContact O-N 3.42Å; D424-R426 VanDerWaalsContact O-N 3.16Å; D424-R426 WeakPolarHBondContact OD2-CD 3.2Å; D424-R426 IonicContact OD2-CZ 3.2Å; D424-R426 IonicContact OD2-NE 2.71Å; D424-R426 PolarHBondContact OD2-NE 3.41Å; D424-R426 IonicContact OD2-NH1 2.81Å; D424-R426 PolarHBondContact OD2-NH1 3.36Å
425	N	78.3	Confident	79.4	Confident	76 Å²	76	59.9 Å²	59.9	41%	0.406	32%	0.324	S	S	.	.	S	Bend	trans	58	21.9	178.4	-59	-25.2	0	0	0	114.9	Q332 T422 K423	Q332-N425 PolarHBondContact OE1-ND2 3.06Å; T422-N425 PolarHBondContact O-N 3.46Å; T422-N425 VanDerWaalsContact O-N 3.13Å; K423-N425 PolarHBondContact O-N 3.24Å
426	R	79	Confident	80.4	Confident	164 Å²	164	57.6 Å²	57.6	62%	0.619	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-84	146.6	173.4	-61	-178.9	169.1	141.4	-10.2	110.4	F421 T422 D424	F421-R426 WeakPolarHBondContact CA-O 3.46Å; T422-R426 HydrophobicContact CG2-CB 4.45Å; T422-R426 PolarHBondContact N-O 2.83Å; T422-R426 WeakPolarHBondContact OG1-CA 3.45Å; T422-R426 WeakPolarHBondContact OG1-CB 3.33Å; T422-R426 PolarHBondContact OG1-N 2.78Å; T422-R426 PolarHBondContact OG1-O 3.02Å; D424-R426 PolarHBondContact O-N 3.42Å; D424-R426 VanDerWaalsContact O-N 3.16Å; D424-R426 WeakPolarHBondContact OD2-CD 3.2Å; D424-R426 IonicContact OD2-CZ 3.2Å; D424-R426 IonicContact OD2-NE 2.71Å; D424-R426 PolarHBondContact OD2-NE 3.41Å; D424-R426 IonicContact OD2-NH1 2.81Å; D424-R426 PolarHBondContact OD2-NH1 3.36Å
427	V	83.1	Confident	81.2	Confident	24 Å²	24	56.2 Å²	56.2	15%	0.145	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	127.1	174.7	163.3	0	0	0	0	110	A336 V339 V340 V419 F421 I429	A336-V427 HydrophobicContact CB-CB 4.38Å; A336-V427 HydrophobicContact CB-CG2 3.57Å; V339-V427 HydrophobicContact CG1-CG1 4.49Å; V340-V427 HydrophobicContact CG2-CG1 4.15Å; V419-V427 HydrophobicContact CG1-CG1 4.1Å; V419-V427 HydrophobicContact CG1-CG2 4.42Å; F421-V427 HydrophobicContact CD1-CG2 3.72Å; F421-V427 HydrophobicContact CE1-CG2 3.43Å; F421-V427 VanDerWaalsContact CE1-CG2 3.43Å; F421-V427 HydrophobicContact CZ-CG2 4.25Å; V427-I429 HydrophobicContact CG1-CD1 4.29Å; V427-I429 HydrophobicContact CG1-CG1 3.7Å
428	H	80.9	Confident	82	Confident	67 Å²	67	52.8 Å²	52.8	31%	0.31	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.6	160.7	177.4	76.3	0	0	0	109.2	V419 T420 M433	V419-H428 WeakPolarHBondContact CA-O 3.28Å; T420-H428 PolarHBondContact N-O 2.96Å; T420-H428 PolarHBondContact O-N 3.39Å; H428-M433 HydrophobicContact CB-CB 4.44Å; H428-M433 HydrophobicContact CB-CG 4.05Å; H428-M433 HydrophobicContact CB-SD 3.89Å
429	I	79.8	Confident	82.8	Confident	25 Å²	25	50.5 Å²	50.5	13%	0.128	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118	175.3	-53.4	175.4	0	0	0	108.1	V339 V340 H343 I417 P418 V427	V339-I429 HydrophobicContact CG1-CD1 3.87Å; V339-I429 HydrophobicContact CG1-CG1 4.44Å; V339-I429 WeakPolarHBondContact O-CD1 3.43Å; V340-I429 HydrophobicContact CB-CD1 4.27Å; V340-I429 HydrophobicContact CG2-CD1 3.92Å; H343-I429 HydrophobicContact CB-CD1 3.62Å; H343-I429 HydrophobicContact CB-CG2 4.42Å; I417-I429 HydrophobicContact CG2-CG2 3.8Å; P418-I429 WeakPolarHBondContact O-CA 3.45Å; V427-I429 HydrophobicContact CG1-CD1 4.29Å; V427-I429 HydrophobicContact CG1-CG1 3.7Å
430	G	73.3	Confident	83.5	Confident	13 Å²	13	48.3 Å²	48.3	13%	0.134	24%	0.235	C	C	.	.	S	Bend	trans	152.2	153.8	-176.2	0	0	0	0	0	111.8	P418 K432	P418-G430 PolarHBondContact O-N 3.25Å; G430-K432 PolarHBondContact O-N 3.33Å
431	P	69.9	Low	84.2	Confident	98 Å²	98	47.7 Å²	47.7	64%	0.636	23%	0.231	S	C	*	.	S	Bend	trans	-66.5	-22.6	-176.7	27.1	-35.3	0	0	0	113	P418	P418-P431 HydrophobicContact CG-CB 4.36Å
432	K	77.8	Confident	84.9	Confident	74 Å²	74	44 Å²	44	32%	0.322	22%	0.215	S	C	.	.	S	Bend	trans	-140.8	132.6	174.3	-61.1	177.9	-169.6	164.9	0	109.5	G430 E434 E474 N477 K479	G430-K432 PolarHBondContact O-N 3.33Å; K432-E434 PolarHBondContact O-N 2.97Å; K432-E474 WeakPolarHBondContact CD-OE1 3.5Å; K432-E474 IonicContact NZ-OE1 3.96Å; K432-E474 PolarHBondContact NZ-OE1 3.48Å; K432-E474 IonicContact NZ-OE2 2.57Å; K432-E474 PolarHBondContact NZ-OE2 2.89Å; K432-N477 CarbonylContact C-O 3.53Å; K432-N477 VanDerWaalsContact CA-O 3.23Å; K432-N477 WeakPolarHBondContact CA-O 3.31Å; K432-K479 HydrophobicContact CB-CB 4.09Å
433	M	82.3	Confident	85.4	Confident	7 Å²	7	45.6 Å²	45.6	3%	0.034	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	120.9	175.7	-178.1	169.3	59.1	0	0	110.4	T420 T422 H428 I435 N477 L478 K479 L595 V596	T420-M433 HydrophobicContact CG2-CE 4.26Å; T420-M433 HydrophobicContact CG2-SD 4.49Å; T422-M433 HydrophobicContact CG2-CE 4.44Å; T422-M433 HydrophobicContact CG2-SD 3.74Å; H428-M433 HydrophobicContact CB-CB 4.44Å; H428-M433 HydrophobicContact CB-CG 4.05Å; H428-M433 HydrophobicContact CB-SD 3.89Å; M433-I435 HydrophobicContact CE-CD1 4.08Å; M433-I435 HydrophobicContact CG-CD1 4.01Å; M433-I435 HydrophobicContact CG-CG1 4.41Å; M433-I435 HydrophobicContact SD-CD1 4.26Å; M433-N477 PolarHBondContact N-O 2.97Å; M433-L478 HydrophobicContact CB-CD2 3.85Å; M433-L478 HydrophobicContact CE-CD2 3.46Å; M433-L478 VanDerWaalsContact CE-CD2 3.46Å; M433-K479 PolarHBondContact O-N 2.91Å; M433-L595 HydrophobicContact CE-CB 4.45Å; M433-V596 HydrophobicContact CE-CG2 3.76Å
434	E	86.9	Confident	86.1	Confident	104 Å²	104	43.3 Å²	43.3	49%	0.486	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	125.1	178.4	-57.9	-154.3	148.6	0	0	111.3	K432 K479	K432-E434 PolarHBondContact O-N 2.97Å; E434-K479 WeakPolarHBondContact CA-O 3.48Å; E434-K479 HydrophobicContact CG-CB 4.46Å; E434-K479 HydrophobicContact CG-CD 4.19Å; E434-K479 WeakPolarHBondContact OE1-CD 3.25Å; E434-K479 WeakPolarHBondContact OE1-CE 3.22Å; E434-K479 IonicContact OE1-NZ 3.65Å; E434-K479 PolarHBondContact OE1-NZ 3.32Å
435	I	90.3	Very high	86.9	Confident	8 Å²	8	39.7 Å²	39.7	4%	0.041	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.9	-177	-61.3	-63.8	0	0	0	109	M433 V437 K479 F480 T481 Q503 L595	M433-I435 HydrophobicContact CE-CD1 4.08Å; M433-I435 HydrophobicContact CG-CD1 4.01Å; M433-I435 HydrophobicContact CG-CG1 4.41Å; M433-I435 HydrophobicContact SD-CD1 4.26Å; I435-V437 HydrophobicContact CG2-CG2 3.92Å; I435-K479 PolarHBondContact N-O 3.1Å; I435-F480 HydrophobicContact CB-CD1 3.73Å; I435-F480 HydrophobicContact CB-CE1 4.02Å; I435-F480 HydrophobicContact CG1-CE1 4.41Å; I435-F480 HydrophobicContact CG2-CD1 3.69Å; I435-F480 HydrophobicContact CG2-CE1 3.8Å; I435-F480 CarbonylContact O-C 3.46Å; I435-F480 WeakPolarHBondContact O-CA 3.35Å; I435-T481 PolarHBondContact O-N 2.94Å; I435-Q503 HydrophobicContact CG2-CB 4.18Å; I435-L595 HydrophobicContact CD1-CD1 4.21Å; I435-L595 HydrophobicContact CD1-CD2 4.21Å; I435-L595 HydrophobicContact CG1-CD1 4.07Å; I435-L595 HydrophobicContact CG2-CD1 3.79Å
436	R	93.4	Very high	87.6	Confident	46 Å²	46	36.7 Å²	36.7	17%	0.174	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	118.1	176.3	-170.1	174.1	176.6	-75.5	-4.1	109.9	Y498 L500 T502 Q503	R436-Y498 VanDerWaalsContact CZ-O 3.31Å; R436-Y498 PolarHBondContact NH1-O 3.4Å; R436-Y498 PolarHBondContact NH2-O 3.25Å; R436-L500 PolarHBondContact NH1-O 2.93Å; R436-T502 PolarHBondContact NH1-OG1 2.93Å; R436-Q503 VanDerWaalsContact CB-OE1 3.26Å; R436-Q503 PolarHBondContact O-N 3.45Å; R436-Q503 PolarHBondContact O-OE1 2.8Å; R436-Q503 VanDerWaalsContact O-OE1 3.14Å
437	V	95.5	Very high	88.3	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.4	-179	-175.1	0	0	0	0	109.1	I435 F480 T481 I482 W483 A504 V506	I435-V437 HydrophobicContact CG2-CG2 3.92Å; V437-F480 HydrophobicContact CG2-CB 4.35Å; V437-F480 HydrophobicContact CG2-CD1 3.58Å; V437-F480 HydrophobicContact CG2-CE1 4.31Å; V437-F480 HydrophobicContact CG2-CG 4.38Å; V437-T481 PolarHBondContact N-O 2.94Å; V437-I482 HydrophobicContact CB-CG1 4.19Å; V437-I482 HydrophobicContact CB-CG2 4.49Å; V437-I482 HydrophobicContact CG1-CG2 4.48Å; V437-I482 CarbonylContact O-C 3.55Å; V437-I482 WeakPolarHBondContact O-CA 3.46Å; V437-W483 PolarHBondContact O-N 2.98Å; V437-A504 VanDerWaalsContact CA-O 3.28Å; V437-A504 WeakPolarHBondContact CA-O 3.42Å; V437-A504 HydrophobicContact CG2-CB 4.38Å; V437-V506 HydrophobicContact CG1-CB 4.33Å; V437-V506 HydrophobicContact CG1-CG2 3.54Å
438	V	96.2	Very high	88.7	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.1	171.3	-171.8	0	0	0	0	109.1	L440 W483 V485 Y498 T502 A504 V505 V506	V438-L440 HydrophobicContact CG1-CD1 4.24Å; V438-L440 HydrophobicContact CG1-CD2 3.65Å; V438-L440 HydrophobicContact CG1-CG 3.81Å; V438-W483 HydrophobicContact CG1-CB 4.39Å; V438-W483 HydrophobicContact CG2-CB 4.35Å; V438-V485 HydrophobicContact CG1-CG2 3.95Å; V438-Y498 WeakPolarHBondContact CG2-O 3.4Å; V438-T502 HydrophobicContact CB-CG2 4.21Å; V438-T502 HydrophobicContact CG2-CG2 3.73Å; V438-T502 WeakPolarHBondContact CG2-OG1 3.41Å; V438-A504 PolarHBondContact N-O 3.45Å; V438-V505 WeakPolarHBondContact O-CA 3.28Å; V438-V506 PolarHBondContact O-N 2.92Å
439	T	96.3	Very high	89.2	Confident	7 Å²	7	26.9 Å²	26.9	4%	0.043	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	114.7	178.3	-54.2	0	0	0	0	109.8	K447 I482 W483 V485 V506 V508	T439-K447 HydrophobicContact CG2-CB 3.84Å; T439-K447 HydrophobicContact CG2-CD 4.06Å; T439-K447 HydrophobicContact CG2-CG 3.91Å; T439-I482 WeakPolarHBondContact OG1-CG2 3.43Å; T439-W483 PolarHBondContact N-O 3.28Å; T439-V485 PolarHBondContact O-N 3.14Å; T439-V506 CarbonylContact C-O 3.54Å; T439-V506 VanDerWaalsContact CA-O 3.27Å; T439-V506 WeakPolarHBondContact CA-O 3.28Å; T439-V506 HydrophobicContact CG2-CB 4.21Å; T439-V506 HydrophobicContact CG2-CG1 4.06Å; T439-V508 HydrophobicContact CG2-CG2 3.82Å
440	L	96.4	Very high	89.9	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	170.8	-173.3	-59.3	180	0	0	0	110.9	V438 K447 V485 W495 Y499 V505 V506 Y507 V508 L527	V438-L440 HydrophobicContact CG1-CD1 4.24Å; V438-L440 HydrophobicContact CG1-CD2 3.65Å; V438-L440 HydrophobicContact CG1-CG 3.81Å; L440-K447 VanDerWaalsContact C-CD 3.4Å; L440-K447 WeakPolarHBondContact O-CD 3.29Å; L440-V485 HydrophobicContact CD2-CB 3.91Å; L440-V485 HydrophobicContact CD2-CG2 4.01Å; L440-W495 HydrophobicContact CD1-CE3 4.44Å; L440-W495 HydrophobicContact CD2-CB 4.29Å; L440-W495 HydrophobicContact CD2-CD2 3.93Å; L440-W495 HydrophobicContact CD2-CG 3.84Å; L440-Y499 HydrophobicContact CD1-CE1 3.99Å; L440-V505 HydrophobicContact CD1-CG1 4.1Å; L440-V505 HydrophobicContact CG-CG1 4.45Å; L440-V506 PolarHBondContact N-O 3.06Å; L440-Y507 HydrophobicContact CB-CD2 4.11Å; L440-Y507 WeakPolarHBondContact O-CA 3.35Å; L440-V508 PolarHBondContact O-N 3.01Å; L440-L527 HydrophobicContact CB-CD1 4.27Å; L440-L527 HydrophobicContact CD1-CD1 3.92Å; L440-L527 HydrophobicContact CD1-CD2 3.46Å; L440-L527 VanDerWaalsContact CD1-CD2 3.46Å; L440-L527 HydrophobicContact CD1-CG 4.37Å
441	G	95.1	Very high	90.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.148	C	C	.	.			trans	127	167.4	-174.4	0	0	0	0	0	112.3	K447 G487 W495	G441-K447 PolarHBondContact O-NZ 2.6Å; G441-G487 VanDerWaalsContact O-CA 3.29Å; G441-G487 WeakPolarHBondContact O-CA 3.4Å; G441-W495 WeakPolarHBondContact O-CZ2 3.24Å
442	L	94.8	Very high	91.8	Very high	7 Å²	7	22.4 Å²	22.4	4%	0.037	13%	0.125	C	C	.	.			trans	-63.6	163.9	-171.3	-50.9	-179.1	0	0	0	112.9	A445 K447 R516 E519 A520 E523	L442-A445 WeakPolarHBondContact O-CB 3.49Å; L442-K447 PolarHBondContact O-NZ 3.5Å; L442-R516 HydrophobicContact CD1-CB 4.24Å; L442-E519 HydrophobicContact CD1-CB 4.14Å; L442-E519 HydrophobicContact CD1-CG 4.14Å; L442-E519 HydrophobicContact CD2-CG 4.03Å; L442-A520 HydrophobicContact CD1-CB 3.87Å; L442-A520 HydrophobicContact CG-CB 4.23Å; L442-E523 HydrophobicContact CD2-CG 4.03Å
443	D	92.8	Very high	92.4	Very high	55 Å²	55	20 Å²	20	29%	0.294	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	144.9	170.9	51	-77.5	0	0	0	112.1	A445 G487 K488 R492 R516	D443-A445 PolarHBondContact O-N 3.36Å; D443-G487 PolarHBondContact N-O 3.27Å; D443-K488 HydrophobicContact CB-CG 3.98Å; D443-K488 WeakPolarHBondContact OD1-CA 3.15Å; D443-R492 IonicContact OD1-NH2 3.31Å; D443-R492 PolarHBondContact OD1-NH2 3.4Å; D443-R516 PolarHBondContact O-NH1 3.4Å; D443-R516 VanDerWaalsContact O-NH1 3.15Å; D443-R516 PolarHBondContact O-NH2 3.17Å; D443-R516 IonicContact OD2-NH1 2.66Å
444	G	90.3	Very high	92.8	Very high	56 Å²	56	20.8 Å²	20.8	58%	0.577	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.7	-10.8	-177.2	0	0	0	0	0	116.1	G446 K544	G444-G446 PolarHBondContact O-N 3.4Å; G444-K544 PolarHBondContact O-NZ 2.76Å
445	A	93.1	Very high	92.9	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.008	11%	0.112	C	C	.	.	S	Bend	trans	-68.2	-13	-178.1	0	0	0	0	0	115	L442 D443 V508 D510 N543	L442-A445 WeakPolarHBondContact O-CB 3.49Å; D443-A445 PolarHBondContact O-N 3.36Å; A445-V508 HydrophobicContact CB-CG1 4.23Å; A445-V508 WeakPolarHBondContact CB-O 3.45Å; A445-V508 WeakPolarHBondContact O-CG1 3.25Å; A445-D510 HydrophobicContact CB-CB 4.32Å; A445-N543 PolarHBondContact O-ND2 3.41Å
446	G	92.3	Very high	92.6	Very high	13 Å²	13	23.8 Å²	23.8	13%	0.134	13%	0.132	C	C	.	.			trans	96.5	11.9	173.9	0	0	0	0	0	116.7	G444 T448 T449 I450	G444-G446 PolarHBondContact O-N 3.4Å; G446-T448 PolarHBondContact O-N 2.87Å; G446-T449 WeakPolarHBondContact O-CA 3.45Å; G446-T449 WeakPolarHBondContact O-CB 3.43Å; G446-T449 PolarHBondContact O-N 3.02Å; G446-I450 PolarHBondContact O-N 3.09Å
447	K	93.7	Very high	92	Very high	10 Å²	10	26.8 Å²	26.8	4%	0.043	15%	0.151	C	C	.	.	H	α-helix	trans	-44.1	-54.7	177.8	-61.3	-173.1	-59.3	-73.3	0	114	T439 L440 G441 L442 T449 I450 L451 D484 V485 V508	T439-K447 HydrophobicContact CG2-CB 3.84Å; T439-K447 HydrophobicContact CG2-CD 4.06Å; T439-K447 HydrophobicContact CG2-CG 3.91Å; L440-K447 VanDerWaalsContact C-CD 3.4Å; L440-K447 WeakPolarHBondContact O-CD 3.29Å; G441-K447 PolarHBondContact O-NZ 2.6Å; L442-K447 PolarHBondContact O-NZ 3.5Å; K447-T449 VanDerWaalsContact C-N 3.33Å; K447-T449 PolarHBondContact O-N 2.95Å; K447-I450 WeakPolarHBondContact O-CB 3.44Å; K447-I450 PolarHBondContact O-N 3.08Å; K447-L451 PolarHBondContact O-N 2.92Å; K447-D484 WeakPolarHBondContact CB-OD1 3.05Å; K447-D484 WeakPolarHBondContact CE-OD1 3.45Å; K447-V485 WeakPolarHBondContact CE-O 3.41Å; K447-V508 HydrophobicContact CB-CG2 4.41Å; K447-V508 HydrophobicContact CG-CB 3.75Å; K447-V508 HydrophobicContact CG-CG1 4.49Å; K447-V508 HydrophobicContact CG-CG2 3.75Å
448	T	91.6	Very high	91.1	Very high	27 Å²	27	32.7 Å²	32.7	17%	0.166	18%	0.179	C	C	.	.	H	α-helix	trans	-65.3	-36.3	-178.8	-38.7	0	0	0	0	112.2	G446 L451 F452 T465 D484	G446-T448 PolarHBondContact O-N 2.87Å; T448-L451 PolarHBondContact O-N 3.05Å; T448-F452 HydrophobicContact CG2-CD2 3.97Å; T448-F452 HydrophobicContact CG2-CE2 3.66Å; T448-F452 WeakPolarHBondContact O-CD2 3.18Å; T448-F452 PolarHBondContact O-N 2.71Å; T448-T465 PolarHBondContact OG1-OG1 2.91Å; T448-D484 WeakPolarHBondContact CB-OD2 3.39Å; T448-D484 PolarHBondContact OG1-OD2 3.3Å
449	T	92	Very high	90.1	Very high	11 Å²	11	37.3 Å²	37.3	7%	0.067	20%	0.199	C	C	.	.	H	α-helix	trans	-66.1	-43.7	175	-48.7	0	0	0	0	111	G446 K447 L451 F452 K453 F459 A578	G446-T449 WeakPolarHBondContact O-CA 3.45Å; G446-T449 WeakPolarHBondContact O-CB 3.43Å; G446-T449 PolarHBondContact O-N 3.02Å; K447-T449 VanDerWaalsContact C-N 3.33Å; K447-T449 PolarHBondContact O-N 2.95Å; T449-L451 VanDerWaalsContact C-N 3.31Å; T449-L451 PolarHBondContact O-N 3.45Å; T449-F452 PolarHBondContact O-N 3.4Å; T449-K453 VanDerWaalsContact O-CB 3.25Å; T449-K453 WeakPolarHBondContact O-CB 3.25Å; T449-K453 PolarHBondContact O-N 3.39Å; T449-F459 HydrophobicContact CG2-CD2 3.74Å; T449-F459 HydrophobicContact CG2-CE2 3.69Å; T449-A578 HydrophobicContact CG2-CB 3.8Å
450	I	93.3	Very high	88.9	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-58.6	-44.6	172.8	-68.5	177.6	0	0	0	110.5	G446 K447 K453 L454 V508 F541 N543 A578 L584	G446-I450 PolarHBondContact O-N 3.09Å; K447-I450 WeakPolarHBondContact O-CB 3.44Å; K447-I450 PolarHBondContact O-N 3.08Å; I450-K453 PolarHBondContact O-N 2.62Å; I450-L454 HydrophobicContact CG2-CD1 3.85Å; I450-L454 HydrophobicContact CG2-CG 4.32Å; I450-L454 WeakPolarHBondContact O-CB 3.26Å; I450-L454 WeakPolarHBondContact O-CG 3.44Å; I450-L454 PolarHBondContact O-N 2.71Å; I450-V508 HydrophobicContact CD1-CG1 3.72Å; I450-V508 HydrophobicContact CD1-CG2 4.06Å; I450-F541 HydrophobicContact CD1-CB 4.17Å; I450-F541 HydrophobicContact CD1-CD2 4.1Å; I450-F541 HydrophobicContact CD1-CG 4.26Å; I450-F541 HydrophobicContact CG2-CD2 4.4Å; I450-F541 HydrophobicContact CG2-CE2 4.22Å; I450-N543 HydrophobicContact CD1-CB 4.3Å; I450-A578 HydrophobicContact CG1-CB 3.53Å; I450-L584 HydrophobicContact CB-CD2 4.46Å; I450-L584 HydrophobicContact CD1-CD2 4.09Å; I450-L584 HydrophobicContact CG1-CD2 3.97Å; I450-L584 HydrophobicContact CG2-CD1 4.26Å; I450-L584 HydrophobicContact CG2-CD2 3.84Å
451	L	92.1	Very high	87.8	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-48.8	-179.5	-178.2	57.1	0	0	0	112.6	K447 T448 T449 L454 K455 E471 V473 I482 D484	K447-L451 PolarHBondContact O-N 2.92Å; T448-L451 PolarHBondContact O-N 3.05Å; T449-L451 VanDerWaalsContact C-N 3.31Å; T449-L451 PolarHBondContact O-N 3.45Å; L451-L454 PolarHBondContact O-N 3.05Å; L451-K455 WeakPolarHBondContact O-CB 3.46Å; L451-K455 PolarHBondContact O-N 3.02Å; L451-E471 HydrophobicContact CD1-CB 3.94Å; L451-E471 HydrophobicContact CD2-CB 3.98Å; L451-E471 HydrophobicContact CD2-CG 4.01Å; L451-E471 HydrophobicContact CG-CB 4.09Å; L451-E471 HydrophobicContact CG-CG 4.32Å; L451-V473 HydrophobicContact CD1-CG2 4.19Å; L451-I482 HydrophobicContact CD1-CB 3.75Å; L451-I482 HydrophobicContact CD1-CD1 3.82Å; L451-I482 HydrophobicContact CD1-CG1 4.28Å; L451-I482 HydrophobicContact CD1-CG2 3.88Å; L451-D484 HydrophobicContact CD2-CB 3.72Å
452	F	90.8	Very high	86.6	Confident	35 Å²	35	53 Å²	53	15%	0.154	28%	0.281	C	S	.	.	H	α-helix	trans	-68.8	-38.1	178.2	-73.9	-62	0	0	0	112.6	T448 T449 L454 K455 Q456 M460	T448-F452 HydrophobicContact CG2-CD2 3.97Å; T448-F452 HydrophobicContact CG2-CE2 3.66Å; T448-F452 WeakPolarHBondContact O-CD2 3.18Å; T448-F452 PolarHBondContact O-N 2.71Å; T449-F452 PolarHBondContact O-N 3.4Å; F452-L454 VanDerWaalsContact C-N 3.31Å; F452-L454 PolarHBondContact O-N 2.87Å; F452-K455 PolarHBondContact O-N 3.16Å; F452-K455 VanDerWaalsContact O-N 3.15Å; F452-Q456 PolarHBondContact O-N 3.36Å; F452-M460 HydrophobicContact CB-CE 4.29Å; F452-M460 HydrophobicContact CD1-CE 3.34Å; F452-M460 HydrophobicContact CD2-CE 3.61Å; F452-M460 HydrophobicContact CE1-CE 3.4Å; F452-M460 VanDerWaalsContact CE1-CE 3.4Å; F452-M460 HydrophobicContact CE2-CE 3.65Å; F452-M460 HydrophobicContact CG-CE 3.47Å; F452-M460 VanDerWaalsContact CG-CE 3.47Å; F452-M460 HydrophobicContact CZ-CE 3.55Å
453	K	91.8	Very high	85.6	Confident	23 Å²	23	59.6 Å²	59.6	10%	0.1	31%	0.314	C	S	.	.	H	α-helix	trans	-60.6	-40	173.9	-171.8	55.1	166.3	155.6	0	111.6	T449 I450 D457 R579 S580 L584	T449-K453 VanDerWaalsContact O-CB 3.25Å; T449-K453 WeakPolarHBondContact O-CB 3.25Å; T449-K453 PolarHBondContact O-N 3.39Å; I450-K453 PolarHBondContact O-N 2.62Å; K453-D457 WeakPolarHBondContact CD-O 3.38Å; K453-D457 WeakPolarHBondContact CE-OD1 3.45Å; K453-D457 PolarHBondContact NZ-O 2.81Å; K453-D457 IonicContact NZ-OD1 3.14Å; K453-D457 PolarHBondContact NZ-OD1 2.94Å; K453-D457 IonicContact NZ-OD2 3.92Å; K453-D457 VanDerWaalsContact O-CA 3.24Å; K453-D457 WeakPolarHBondContact O-CA 3.46Å; K453-D457 PolarHBondContact O-N 2.99Å; K453-D457 VanDerWaalsContact O-N 3.1Å; K453-R579 WeakPolarHBondContact CE-O 3.32Å; K453-S580 WeakPolarHBondContact CE-O 3.49Å; K453-S580 PolarHBondContact NZ-O 2.91Å; K453-L584 HydrophobicContact CB-CD1 4.15Å; K453-L584 HydrophobicContact CG-CD1 3.85Å
454	L	90.5	Very high	84.7	Confident	24 Å²	24	60.9 Å²	60.9	13%	0.126	33%	0.326	C	S	.	.	H	α-helix	trans	-70.5	-31	174.5	-76.1	176.6	0	0	0	114	I450 L451 F452 V473 L584 L588	I450-L454 HydrophobicContact CG2-CD1 3.85Å; I450-L454 HydrophobicContact CG2-CG 4.32Å; I450-L454 WeakPolarHBondContact O-CB 3.26Å; I450-L454 WeakPolarHBondContact O-CG 3.44Å; I450-L454 PolarHBondContact O-N 2.71Å; L451-L454 PolarHBondContact O-N 3.05Å; F452-L454 VanDerWaalsContact C-N 3.31Å; F452-L454 PolarHBondContact O-N 2.87Å; L454-V473 HydrophobicContact CB-CG1 4.19Å; L454-V473 HydrophobicContact CB-CG2 4.21Å; L454-L584 HydrophobicContact CD2-CB 3.86Å; L454-L584 HydrophobicContact CD2-CD1 4.4Å; L454-L584 HydrophobicContact CG-CB 4.49Å; L454-L584 HydrophobicContact CG-CD1 4.33Å; L454-L588 HydrophobicContact CD1-CD1 4.09Å; L454-L588 HydrophobicContact CD1-CD2 4.49Å; L454-L588 HydrophobicContact CD1-CG 4.44Å; L454-L588 HydrophobicContact CD2-CD1 3.54Å; L454-L588 HydrophobicContact CD2-CG 4.33Å; L454-L588 HydrophobicContact CG-CD1 4.4Å
455	K	88.3	Confident	84.2	Confident	80 Å²	80	59.4 Å²	59.4	35%	0.348	31%	0.306	S	S	.	.	H	α-helix	trans	-83.3	-41.3	-176.9	-170.4	-167.6	171.6	-175.2	0	113.4	L451 F452 E471 V473	L451-K455 WeakPolarHBondContact O-CB 3.46Å; L451-K455 PolarHBondContact O-N 3.02Å; F452-K455 PolarHBondContact O-N 3.16Å; F452-K455 VanDerWaalsContact O-N 3.15Å; K455-E471 HydrophobicContact CD-CB 4.37Å; K455-E471 HydrophobicContact CD-CG 4.26Å; K455-E471 WeakPolarHBondContact CD-OE2 3.29Å; K455-E471 WeakPolarHBondContact CE-OE2 3.45Å; K455-E471 IonicContact NZ-OE1 3.86Å; K455-E471 PolarHBondContact NZ-OE1 3.28Å; K455-E471 IonicContact NZ-OE2 3.61Å; K455-E471 PolarHBondContact NZ-OE2 2.86Å; K455-V473 HydrophobicContact CB-CG2 4.13Å
456	Q	83.7	Confident	83.4	Confident	96 Å²	96	66.6 Å²	66.6	45%	0.449	34%	0.342	S	S	.	.	H	α-helix	trans	-129.5	-1.6	-166	-70.9	173.7	-42.8	0	0	113.6	F452 E458	F452-Q456 PolarHBondContact O-N 3.36Å; Q456-E458 HydrophobicContact CB-CB 4.4Å; Q456-E458 PolarHBondContact O-N 2.85Å
457	D	81.1	Confident	83	Confident	109 Å²	109	67.1 Å²	67.1	58%	0.583	35%	0.348	S	S	*	.	S	Bend	trans	58	0.5	-168.4	-157.9	37	0	0	0	115.3	K453	K453-D457 WeakPolarHBondContact CD-O 3.38Å; K453-D457 WeakPolarHBondContact CE-OD1 3.45Å; K453-D457 PolarHBondContact NZ-O 2.81Å; K453-D457 IonicContact NZ-OD1 3.14Å; K453-D457 PolarHBondContact NZ-OD1 2.94Å; K453-D457 IonicContact NZ-OD2 3.92Å; K453-D457 VanDerWaalsContact O-CA 3.24Å; K453-D457 WeakPolarHBondContact O-CA 3.46Å; K453-D457 PolarHBondContact O-N 2.99Å; K453-D457 VanDerWaalsContact O-N 3.1Å
458	E	76.5	Confident	82.7	Confident	125 Å²	125	71.4 Å²	71.4	58%	0.584	37%	0.367	S	S	*	.			trans	-86.7	141	179.5	-69.6	-169.9	168.1	0	0	113	Q456 M460	Q456-E458 HydrophobicContact CB-CB 4.4Å; Q456-E458 PolarHBondContact O-N 2.85Å; E458-M460 PolarHBondContact O-N 2.99Å
459	F	75.7	Confident	82.6	Confident	97 Å²	97	72.3 Å²	72.3	43%	0.425	37%	0.371	S	S	.	.			trans	-87	104.4	169.4	174.5	-99.2	0	0	0	110.2	T449 Q461 R579	T449-F459 HydrophobicContact CG2-CD2 3.74Å; T449-F459 HydrophobicContact CG2-CE2 3.69Å; F459-Q461 HydrophobicContact CE1-CG 4.49Å; F459-R579 HydrophobicContact CD2-CB 4.08Å; F459-R579 HydrophobicContact CD2-CG 3.85Å; F459-R579 HydrophobicContact CE2-CB 4.14Å; F459-R579 HydrophobicContact CE2-CG 3.99Å; F459-R579 HydrophobicContact CG-CG 4.26Å
460	M	71.7	Confident	82.5	Confident	79 Å²	79	74.3 Å²	74.3	39%	0.389	38%	0.383	S	S	.	.			trans	-88.3	138.6	168	-75	-143	-85.5	0	0	112.1	F452 E458	F452-M460 HydrophobicContact CB-CE 4.29Å; F452-M460 HydrophobicContact CD1-CE 3.34Å; F452-M460 HydrophobicContact CD2-CE 3.61Å; F452-M460 HydrophobicContact CE1-CE 3.4Å; F452-M460 VanDerWaalsContact CE1-CE 3.4Å; F452-M460 HydrophobicContact CE2-CE 3.65Å; F452-M460 HydrophobicContact CG-CE 3.47Å; F452-M460 VanDerWaalsContact CG-CE 3.47Å; F452-M460 HydrophobicContact CZ-CE 3.55Å; E458-M460 PolarHBondContact O-N 2.99Å
461	Q	72.8	Confident	82.5	Confident	168 Å²	168	75.9 Å²	75.9	79%	0.785	39%	0.39	S	S	*	.			trans	-62.7	131.6	174.1	-70.6	-167.8	-1.5	0	0	110.3	F459 I463	F459-Q461 HydrophobicContact CE1-CG 4.49Å; Q461-I463 PolarHBondContact O-N 3Å; Q461-I463 VanDerWaalsContact O-N 3.1Å
462	P	70.1	Confident	82.4	Confident	91 Å²	91	78.4 Å²	78.4	59%	0.591	41%	0.406	S	S	*	.			trans	-74.8	105.8	-170.4	28	-34.6	0	0	0	112.4
463	I	73.5	Confident	82.5	Confident	144 Å²	144	77 Å²	77	74%	0.738	40%	0.4	S	S	*	.			trans	-84.2	131.2	163.5	-57.7	176.2	0	0	0	108.1	Q461 T465	Q461-I463 PolarHBondContact O-N 3Å; Q461-I463 VanDerWaalsContact O-N 3.1Å; I463-T465 PolarHBondContact O-N 3.06Å; I463-T465 VanDerWaalsContact O-N 3.11Å
464	P	74.9	Confident	82.3	Confident	82 Å²	82	81.3 Å²	81.3	53%	0.532	42%	0.42	S	S	.	.			trans	-64.4	112.6	-177.9	-23.5	33.9	0	0	0	113.2	I466	P464-I466 PolarHBondContact O-N 2.92Å
465	T	78.1	Confident	82.1	Confident	26 Å²	26	81.8 Å²	81.8	16%	0.16	42%	0.421	C	S	.	.			trans	-50.8	127.4	-178.8	-37.2	0	0	0	0	112.5	T448 I463 D484	T448-T465 PolarHBondContact OG1-OG1 2.91Å; I463-T465 PolarHBondContact O-N 3.06Å; I463-T465 VanDerWaalsContact O-N 3.11Å; T465-D484 PolarHBondContact OG1-OD2 2.94Å
466	I	77.9	Confident	81.9	Confident	151 Å²	151	83.4 Å²	83.4	77%	0.774	43%	0.428	S	S	*	.	S	Bend	trans	-103.4	117.3	173.4	-56.6	177.7	0	0	0	106.9	P464 F468	P464-I466 PolarHBondContact O-N 2.92Å; I466-F468 PolarHBondContact O-N 2.82Å
467	G	82.6	Confident	81.7	Confident	25 Å²	25	80.3 Å²	80.3	26%	0.258	41%	0.414	S	S	.	.	S	Bend	trans	75	-108.5	-173.4	0	0	0	0	0	111.5	G486	G467-G486 PolarHBondContact O-N 3.33Å
468	F	88.2	Confident	81.9	Confident	100 Å²	100	75.1 Å²	75.1	44%	0.439	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	161.1	-175	68.5	-79	0	0	0	111.8	I466 V470 W483 D484 Y498	I466-F468 PolarHBondContact O-N 2.82Å; F468-V470 HydrophobicContact CD2-CG2 3.64Å; F468-V470 HydrophobicContact CE2-CG2 3.67Å; F468-W483 AromaticContact CD2-CE3 3.82Å; F468-W483 HydrophobicContact CD2-CE3 3.82Å; F468-W483 AromaticContact CD2-CZ3 3.84Å; F468-W483 HydrophobicContact CD2-CZ3 3.84Å; F468-W483 HydrophobicContact CE2-CE3 4.09Å; F468-W483 AromaticContact CE2-CZ3 3.62Å; F468-W483 HydrophobicContact CE2-CZ3 3.62Å; F468-W483 HydrophobicContact CZ-CZ3 4.41Å; F468-D484 CarbonylContact C-O 3.57Å; F468-D484 WeakPolarHBondContact CA-O 3.47Å; F468-Y498 HydrophobicContact CB-CE1 4.08Å; F468-Y498 AromaticContact CD1-CE1 3.93Å; F468-Y498 HydrophobicContact CD1-CE1 3.93Å; F468-Y498 AromaticContact CD1-CZ 3.89Å; F468-Y498 WeakPolarHBondContact CD1-OH 3.27Å; F468-Y498 HydrophobicContact CD2-CE1 4.21Å; F468-Y498 HydrophobicContact CE1-CE1 4.44Å; F468-Y498 AromaticContact CG-CE1 3.81Å; F468-Y498 HydrophobicContact CG-CE1 3.81Å
469	N	88.5	Confident	82.6	Confident	46 Å²	46	72 Å²	72	25%	0.246	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148.6	166.7	-173.6	32.7	0	0	0	109.1	E471 W483 D484	N469-E471 WeakPolarHBondContact ND2-CG 3.34Å; N469-W483 CarbonylContact O-C 3.22Å; N469-W483 WeakPolarHBondContact O-CA 3.37Å; N469-D484 HydrophobicContact CB-CB 4.43Å; N469-D484 PolarHBondContact N-O 3.37Å; N469-D484 PolarHBondContact O-N 3.33Å
470	V	91.1	Very high	83.4	Confident	53 Å²	53	67.4 Å²	67.4	32%	0.321	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	122.6	175.9	-171.7	0	0	0	0	108.8	F468 T481 I482 W483	F468-V470 HydrophobicContact CD2-CG2 3.64Å; F468-V470 HydrophobicContact CE2-CG2 3.67Å; V470-T481 HydrophobicContact CG1-CG2 3.88Å; V470-I482 WeakPolarHBondContact CA-O 3.41Å; V470-W483 HydrophobicContact CG1-CD2 4.3Å; V470-W483 HydrophobicContact CG1-CZ2 4.36Å; V470-W483 HydrophobicContact CG2-CD2 3.63Å; V470-W483 HydrophobicContact CG2-CE3 3.45Å; V470-W483 VanDerWaalsContact CG2-CE3 3.45Å; V470-W483 HydrophobicContact CG2-CG 4.29Å; V470-W483 HydrophobicContact CG2-CH2 3.95Å; V470-W483 HydrophobicContact CG2-CZ2 4.11Å; V470-W483 HydrophobicContact CG2-CZ3 3.62Å
471	E	92.2	Very high	84.5	Confident	36 Å²	36	65.1 Å²	65.1	17%	0.168	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	148.4	-179.1	-73.2	-72	-156.1	0	0	111.5	L451 K455 N469 I482	L451-E471 HydrophobicContact CD1-CB 3.94Å; L451-E471 HydrophobicContact CD2-CB 3.98Å; L451-E471 HydrophobicContact CD2-CG 4.01Å; L451-E471 HydrophobicContact CG-CB 4.09Å; L451-E471 HydrophobicContact CG-CG 4.32Å; K455-E471 HydrophobicContact CD-CB 4.37Å; K455-E471 HydrophobicContact CD-CG 4.26Å; K455-E471 WeakPolarHBondContact CD-OE2 3.29Å; K455-E471 WeakPolarHBondContact CE-OE2 3.45Å; K455-E471 IonicContact NZ-OE1 3.86Å; K455-E471 PolarHBondContact NZ-OE1 3.28Å; K455-E471 IonicContact NZ-OE2 3.61Å; K455-E471 PolarHBondContact NZ-OE2 2.86Å; N469-E471 WeakPolarHBondContact ND2-CG 3.34Å; E471-I482 PolarHBondContact N-O 3.37Å; E471-I482 PolarHBondContact O-N 2.87Å
472	T	91.5	Very high	85.5	Confident	57 Å²	57	57.5 Å²	57.5	35%	0.35	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.3	175.3	-58.6	0	0	0	0	109.3	K479 F480	T472-K479 HydrophobicContact CG2-CD 4.04Å; T472-K479 VanDerWaalsContact CG2-CE 3.5Å; T472-K479 HydrophobicContact CG2-CG 3.43Å; T472-K479 VanDerWaalsContact CG2-CG 3.43Å; T472-F480 CarbonylContact C-O 3.6Å; T472-F480 WeakPolarHBondContact CA-O 3.48Å
473	V	91.2	Very high	86.7	Confident	5 Å²	5	55.9 Å²	55.9	3%	0.03	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122	172.8	177.1	0	0	0	0	108.4	L451 L454 K455 F480 I482	L451-V473 HydrophobicContact CD1-CG2 4.19Å; L454-V473 HydrophobicContact CB-CG1 4.19Å; L454-V473 HydrophobicContact CB-CG2 4.21Å; K455-V473 HydrophobicContact CB-CG2 4.13Å; V473-F480 HydrophobicContact CB-CB 4.5Å; V473-F480 PolarHBondContact N-O 3.21Å; V473-F480 PolarHBondContact O-N 3.49Å; V473-I482 HydrophobicContact CB-CD1 4.13Å; V473-I482 HydrophobicContact CG2-CD1 3.83Å
474	E	88.8	Confident	87.6	Confident	114 Å²	114	49 Å²	49	53%	0.533	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	130.8	173.9	-58	-164.6	137.9	0	0	110.2	K432	K432-E474 WeakPolarHBondContact CD-OE1 3.5Å; K432-E474 IonicContact NZ-OE1 3.96Å; K432-E474 PolarHBondContact NZ-OE1 3.48Å; K432-E474 IonicContact NZ-OE2 2.57Å; K432-E474 PolarHBondContact NZ-OE2 2.89Å
475	Y	86.4	Confident	88.5	Confident	34 Å²	34	45.3 Å²	45.3	13%	0.133	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	113.5	179.8	-174.8	-98.6	0	0	0	109.7	N477 L478 F480 H585 L588 D589	Y475-N477 PolarHBondContact O-N 3.24Å; Y475-L478 PolarHBondContact N-O 2.7Å; Y475-L478 WeakPolarHBondContact O-CB 3.48Å; Y475-L478 PolarHBondContact O-N 3Å; Y475-F480 HydrophobicContact CD1-CE2 4.29Å; Y475-H585 HydrophobicContact CE2-CB 4.45Å; Y475-H585 AromaticContact CE2-ND1 3.58Å; Y475-H585 PolarHBondContact OH-O 2.99Å; Y475-L588 HydrophobicContact CD1-CB 4.03Å; Y475-L588 HydrophobicContact CD2-CD1 4.07Å; Y475-L588 HydrophobicContact CE1-CB 3.93Å; Y475-L588 HydrophobicContact CG-CB 4.37Å; Y475-L588 HydrophobicContact CG-CD1 4.08Å; Y475-D589 VanDerWaalsContact OH-CG 3.25Å; Y475-D589 PolarHBondContact OH-OD1 3.44Å; Y475-D589 PolarHBondContact OH-OD2 2.65Å
476	K	84.2	Confident	89.1	Confident	114 Å²	114	44 Å²	44	50%	0.496	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	-132.7	-170.7	-55.8	-178.8	174.8	-176.6	0	110.5	L478 D589	K476-L478 PolarHBondContact O-N 3.4Å; K476-D589 WeakPolarHBondContact CE-OD1 3.3Å; K476-D589 IonicContact NZ-OD1 2.79Å; K476-D589 PolarHBondContact NZ-OD1 2.71Å; K476-D589 IonicContact NZ-OD2 2.64Å
477	N	78.3	Confident	89.7	Confident	30 Å²	30	37 Å²	37	16%	0.16	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	14.6	174.3	68.7	-33.2	0	0	0	113.4	K432 M433 Y475 L601	K432-N477 CarbonylContact C-O 3.53Å; K432-N477 VanDerWaalsContact CA-O 3.23Å; K432-N477 WeakPolarHBondContact CA-O 3.31Å; M433-N477 PolarHBondContact N-O 2.97Å; Y475-N477 PolarHBondContact O-N 3.24Å; N477-L601 WeakPolarHBondContact OD1-CD2 3.42Å
478	L	86.3	Confident	90	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142.3	-178.7	-54.3	-177.3	0	0	0	111.3	M433 Y475 K476 F480 L595 V596	M433-L478 HydrophobicContact CB-CD2 3.85Å; M433-L478 HydrophobicContact CE-CD2 3.46Å; M433-L478 VanDerWaalsContact CE-CD2 3.46Å; Y475-L478 PolarHBondContact N-O 2.7Å; Y475-L478 WeakPolarHBondContact O-CB 3.48Å; Y475-L478 PolarHBondContact O-N 3Å; K476-L478 PolarHBondContact O-N 3.4Å; L478-F480 HydrophobicContact CB-CD2 4.35Å; L478-F480 HydrophobicContact CB-CE2 3.92Å; L478-F480 HydrophobicContact CB-CZ 4.07Å; L478-F480 HydrophobicContact CD1-CE1 4.2Å; L478-F480 HydrophobicContact CD1-CE2 4.08Å; L478-F480 HydrophobicContact CD1-CZ 3.54Å; L478-F480 HydrophobicContact CG-CZ 4.46Å; L478-L595 HydrophobicContact CD1-CD1 4.44Å; L478-V596 HydrophobicContact CD1-CG2 4.36Å; L478-V596 HydrophobicContact CD2-CG2 3.84Å
479	K	90.3	Very high	90.1	Very high	60 Å²	60	41.6 Å²	41.6	26%	0.261	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	98.1	173.6	-178.2	178.4	169.3	-159.2	0	107.7	K432 M433 E434 I435 T472 T481	K432-K479 HydrophobicContact CB-CB 4.09Å; M433-K479 PolarHBondContact O-N 2.91Å; E434-K479 WeakPolarHBondContact CA-O 3.48Å; E434-K479 HydrophobicContact CG-CB 4.46Å; E434-K479 HydrophobicContact CG-CD 4.19Å; E434-K479 WeakPolarHBondContact OE1-CD 3.25Å; E434-K479 WeakPolarHBondContact OE1-CE 3.22Å; E434-K479 IonicContact OE1-NZ 3.65Å; E434-K479 PolarHBondContact OE1-NZ 3.32Å; I435-K479 PolarHBondContact N-O 3.1Å; T472-K479 HydrophobicContact CG2-CD 4.04Å; T472-K479 VanDerWaalsContact CG2-CE 3.5Å; T472-K479 HydrophobicContact CG2-CG 3.43Å; T472-K479 VanDerWaalsContact CG2-CG 3.43Å; K479-T481 PolarHBondContact O-N 3.47Å
480	F	92.6	Very high	90.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	112	-178.3	-67.2	-71.8	0	0	0	110.4	I435 V437 T472 V473 Y475 L478 I482 L588 L595	I435-F480 HydrophobicContact CB-CD1 3.73Å; I435-F480 HydrophobicContact CB-CE1 4.02Å; I435-F480 HydrophobicContact CG1-CE1 4.41Å; I435-F480 HydrophobicContact CG2-CD1 3.69Å; I435-F480 HydrophobicContact CG2-CE1 3.8Å; I435-F480 CarbonylContact O-C 3.46Å; I435-F480 WeakPolarHBondContact O-CA 3.35Å; V437-F480 HydrophobicContact CG2-CB 4.35Å; V437-F480 HydrophobicContact CG2-CD1 3.58Å; V437-F480 HydrophobicContact CG2-CE1 4.31Å; V437-F480 HydrophobicContact CG2-CG 4.38Å; T472-F480 CarbonylContact C-O 3.6Å; T472-F480 WeakPolarHBondContact CA-O 3.48Å; V473-F480 HydrophobicContact CB-CB 4.5Å; V473-F480 PolarHBondContact N-O 3.21Å; V473-F480 PolarHBondContact O-N 3.49Å; Y475-F480 HydrophobicContact CD1-CE2 4.29Å; L478-F480 HydrophobicContact CB-CD2 4.35Å; L478-F480 HydrophobicContact CB-CE2 3.92Å; L478-F480 HydrophobicContact CB-CZ 4.07Å; L478-F480 HydrophobicContact CD1-CE1 4.2Å; L478-F480 HydrophobicContact CD1-CE2 4.08Å; L478-F480 HydrophobicContact CD1-CZ 3.54Å; L478-F480 HydrophobicContact CG-CZ 4.46Å; F480-I482 HydrophobicContact CB-CD1 4.23Å; F480-I482 HydrophobicContact CB-CG1 3.91Å; F480-I482 PolarHBondContact O-N 2.79Å; F480-L588 HydrophobicContact CD2-CD2 4.47Å; F480-L588 HydrophobicContact CE2-CD2 4.23Å; F480-L595 HydrophobicContact CE1-CD1 3.84Å; F480-L595 HydrophobicContact CZ-CD1 4.38Å
481	T	94.3	Very high	89.9	Confident	32 Å²	32	48 Å²	48	20%	0.196	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	95.2	170.1	-57.4	0	0	0	0	108.1	I435 V437 V470 K479	I435-T481 PolarHBondContact O-N 2.94Å; V437-T481 PolarHBondContact N-O 2.94Å; V470-T481 HydrophobicContact CG1-CG2 3.88Å; K479-T481 PolarHBondContact O-N 3.47Å
482	I	95.1	Very high	89.9	Confident	7 Å²	7	46.9 Å²	46.9	4%	0.036	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	123	-171.9	-49.8	-178.5	0	0	0	110.6	V437 T439 L451 V470 E471 V473 F480	V437-I482 HydrophobicContact CB-CG1 4.19Å; V437-I482 HydrophobicContact CB-CG2 4.49Å; V437-I482 HydrophobicContact CG1-CG2 4.48Å; V437-I482 CarbonylContact O-C 3.55Å; V437-I482 WeakPolarHBondContact O-CA 3.46Å; T439-I482 WeakPolarHBondContact OG1-CG2 3.43Å; L451-I482 HydrophobicContact CD1-CB 3.75Å; L451-I482 HydrophobicContact CD1-CD1 3.82Å; L451-I482 HydrophobicContact CD1-CG1 4.28Å; L451-I482 HydrophobicContact CD1-CG2 3.88Å; V470-I482 WeakPolarHBondContact CA-O 3.41Å; E471-I482 PolarHBondContact N-O 3.37Å; E471-I482 PolarHBondContact O-N 2.87Å; V473-I482 HydrophobicContact CB-CD1 4.13Å; V473-I482 HydrophobicContact CG2-CD1 3.83Å; F480-I482 HydrophobicContact CB-CD1 4.23Å; F480-I482 HydrophobicContact CB-CG1 3.91Å; F480-I482 PolarHBondContact O-N 2.79Å
483	W	94.7	Very high	89.8	Confident	58 Å²	58	48.2 Å²	48.2	22%	0.22	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	101.2	174.1	-65	68.9	0	0	0	109.6	V437 V438 T439 F468 N469 V470 Y498	V437-W483 PolarHBondContact O-N 2.98Å; V438-W483 HydrophobicContact CG1-CB 4.39Å; V438-W483 HydrophobicContact CG2-CB 4.35Å; T439-W483 PolarHBondContact N-O 3.28Å; F468-W483 AromaticContact CD2-CE3 3.82Å; F468-W483 HydrophobicContact CD2-CE3 3.82Å; F468-W483 AromaticContact CD2-CZ3 3.84Å; F468-W483 HydrophobicContact CD2-CZ3 3.84Å; F468-W483 HydrophobicContact CE2-CE3 4.09Å; F468-W483 AromaticContact CE2-CZ3 3.62Å; F468-W483 HydrophobicContact CE2-CZ3 3.62Å; F468-W483 HydrophobicContact CZ-CZ3 4.41Å; N469-W483 CarbonylContact O-C 3.22Å; N469-W483 WeakPolarHBondContact O-CA 3.37Å; V470-W483 HydrophobicContact CG1-CD2 4.3Å; V470-W483 HydrophobicContact CG1-CZ2 4.36Å; V470-W483 HydrophobicContact CG2-CD2 3.63Å; V470-W483 HydrophobicContact CG2-CE3 3.45Å; V470-W483 VanDerWaalsContact CG2-CE3 3.45Å; V470-W483 HydrophobicContact CG2-CG 4.29Å; V470-W483 HydrophobicContact CG2-CH2 3.95Å; V470-W483 HydrophobicContact CG2-CZ2 4.11Å; V470-W483 HydrophobicContact CG2-CZ3 3.62Å; W483-Y498 AromaticContact CE3-CD1 3.6Å; W483-Y498 HydrophobicContact CE3-CD1 3.6Å; W483-Y498 AromaticContact CE3-CE1 3.94Å; W483-Y498 HydrophobicContact CE3-CE1 3.94Å; W483-Y498 AromaticContact CZ3-CD1 4Å; W483-Y498 HydrophobicContact CZ3-CD1 4Å; W483-Y498 HydrophobicContact CZ3-CE1 4.07Å
484	D	93.6	Very high	89.7	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	118	171.4	171.3	43.5	0	0	0	109.8	K447 T448 L451 T465 F468 N469	K447-D484 WeakPolarHBondContact CB-OD1 3.05Å; K447-D484 WeakPolarHBondContact CE-OD1 3.45Å; T448-D484 WeakPolarHBondContact CB-OD2 3.39Å; T448-D484 PolarHBondContact OG1-OD2 3.3Å; L451-D484 HydrophobicContact CD2-CB 3.72Å; T465-D484 PolarHBondContact OG1-OD2 2.94Å; F468-D484 CarbonylContact C-O 3.57Å; F468-D484 WeakPolarHBondContact CA-O 3.47Å; N469-D484 HydrophobicContact CB-CB 4.43Å; N469-D484 PolarHBondContact N-O 3.37Å; N469-D484 PolarHBondContact O-N 3.33Å
485	V	93.4	Very high	89.9	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.018	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	138.1	-174.9	-167.9	0	0	0	0	111.2	V438 T439 L440 K447 G487 Y498	V438-V485 HydrophobicContact CG1-CG2 3.95Å; T439-V485 PolarHBondContact O-N 3.14Å; L440-V485 HydrophobicContact CD2-CB 3.91Å; L440-V485 HydrophobicContact CD2-CG2 4.01Å; K447-V485 WeakPolarHBondContact CE-O 3.41Å; V485-G487 PolarHBondContact O-N 3.4Å; V485-Y498 HydrophobicContact CG1-CD2 3.94Å; V485-Y498 HydrophobicContact CG1-CE2 3.76Å; V485-Y498 HydrophobicContact CG2-CD1 4.41Å; V485-Y498 HydrophobicContact CG2-CD2 3.95Å; V485-Y498 HydrophobicContact CG2-CE2 4.35Å; V485-Y498 HydrophobicContact CG2-CG 3.99Å
486	G	90.6	Very high	90.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.238	C	C	.	.			trans	-51.6	125.5	-179.3	0	0	0	0	0	113.4	G467 W495	G467-G486 PolarHBondContact O-N 3.33Å; G486-W495 PolarHBondContact O-NE1 2.97Å
487	G	89.4	Confident	90.4	Very high	4 Å²	4	50.8 Å²	50.8	4%	0.041	24%	0.242	C	C	.	.			trans	-87.8	-6.7	-174.9	0	0	0	0	0	115.9	G441 D443 V485 R492	G441-G487 VanDerWaalsContact O-CA 3.29Å; G441-G487 WeakPolarHBondContact O-CA 3.4Å; D443-G487 PolarHBondContact N-O 3.27Å; V485-G487 PolarHBondContact O-N 3.4Å; G487-R492 PolarHBondContact O-NE 3.44Å
488	K	89.4	Confident	91	Very high	90 Å²	90	51 Å²	51	39%	0.391	24%	0.24	S	C	.	.	S	Bend	trans	-61.6	139.8	-176.6	-68.1	179.5	178.7	172.7	0	110.1	D443 K490 L491 R492	D443-K488 HydrophobicContact CB-CG 3.98Å; D443-K488 WeakPolarHBondContact OD1-CA 3.15Å; K488-K490 PolarHBondContact O-N 3.03Å; K488-L491 HydrophobicContact CB-CD1 4.36Å; K488-L491 HydrophobicContact CB-CG 4.43Å; K488-L491 WeakPolarHBondContact O-CA 3.47Å; K488-L491 PolarHBondContact O-N 3.5Å; K488-R492 PolarHBondContact O-N 3.02Å
489	H	89.7	Confident	91.3	Very high	131 Å²	131	51.4 Å²	51.4	61%	0.606	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-44.6	-42.4	-177.7	-172.8	-78	0	0	0	114.7	L491	H489-L491 VanDerWaalsContact C-N 3.28Å; H489-L491 PolarHBondContact O-N 3.1Å
490	K	88.2	Confident	91.2	Very high	191 Å²	191	54.2 Å²	54.2	83%	0.83	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-19.7	178.5	-65	-172.9	178.7	-176.4	0	114.9	K488	K488-K490 PolarHBondContact O-N 3.03Å
491	L	88.6	Confident	90.8	Very high	41 Å²	41	59.9 Å²	59.9	22%	0.215	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-20.1	-177.5	-60.2	179.4	0	0	0	113.2	K488 H489 P493 L494	K488-L491 HydrophobicContact CB-CD1 4.36Å; K488-L491 HydrophobicContact CB-CG 4.43Å; K488-L491 WeakPolarHBondContact O-CA 3.47Å; K488-L491 PolarHBondContact O-N 3.5Å; H489-L491 VanDerWaalsContact C-N 3.28Å; H489-L491 PolarHBondContact O-N 3.1Å; L491-P493 VanDerWaalsContact C-CD 3.43Å; L491-P493 VanDerWaalsContact C-N 3.34Å; L491-L494 HydrophobicContact CD2-CD1 4.08Å; L491-L494 VanDerWaalsContact O-CB 3.26Å; L491-L494 WeakPolarHBondContact O-CB 3.17Å; L491-L494 PolarHBondContact O-N 3.24Å
492	R	91.3	Very high	90.7	Very high	13 Å²	13	59 Å²	59	5%	0.049	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-55.4	-37.4	-179.5	-51.4	-173.4	-164.5	145.1	4.5	114.3	D443 G487 K488 L494 W495 E519	D443-R492 IonicContact OD1-NH2 3.31Å; D443-R492 PolarHBondContact OD1-NH2 3.4Å; G487-R492 PolarHBondContact O-NE 3.44Å; K488-R492 PolarHBondContact O-N 3.02Å; R492-L494 PolarHBondContact O-N 3.15Å; R492-W495 HydrophobicContact CB-CD2 4.16Å; R492-W495 HydrophobicContact CB-CE3 4.41Å; R492-W495 HydrophobicContact CB-CH2 4.49Å; R492-W495 HydrophobicContact CB-CZ2 4.23Å; R492-W495 HydrophobicContact CG-CH2 4.11Å; R492-W495 HydrophobicContact CG-CZ2 3.74Å; R492-W495 VanDerWaalsContact O-CB 3.27Å; R492-W495 WeakPolarHBondContact O-CB 3.45Å; R492-W495 PolarHBondContact O-N 2.96Å; R492-E519 IonicContact CZ-OE1 3.02Å; R492-E519 IonicContact NH1-OE1 3.71Å; R492-E519 PolarHBondContact NH1-OE1 3.32Å; R492-E519 IonicContact NH2-OE1 3.05Å; R492-E519 PolarHBondContact NH2-OE1 3.14Å
493	P	90.2	Very high	90.6	Very high	86 Å²	86	62.2 Å²	62.2	56%	0.558	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-60.9	-14.4	173.9	-25.4	36.1	0	0	0	115	L491 K496	L491-P493 VanDerWaalsContact C-CD 3.43Å; L491-P493 VanDerWaalsContact C-N 3.34Å; P493-K496 VanDerWaalsContact O-CE 3.31Å; P493-K496 WeakPolarHBondContact O-CE 3.47Å
494	L	88.6	Confident	90.6	Very high	75 Å²	75	59.5 Å²	59.5	39%	0.393	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-87.1	-12.9	176.2	-54.6	175.4	0	0	0	113	L491 R492 K496 H497 Y498	L491-L494 HydrophobicContact CD2-CD1 4.08Å; L491-L494 VanDerWaalsContact O-CB 3.26Å; L491-L494 WeakPolarHBondContact O-CB 3.17Å; L491-L494 PolarHBondContact O-N 3.24Å; R492-L494 PolarHBondContact O-N 3.15Å; L494-K496 PolarHBondContact O-N 3.42Å; L494-K496 VanDerWaalsContact O-N 3.15Å; L494-H497 WeakPolarHBondContact O-CB 3.48Å; L494-H497 PolarHBondContact O-CD2 3.04Å; L494-H497 PolarHBondContact O-N 2.68Å; L494-Y498 WeakPolarHBondContact O-CD2 3.44Å; L494-Y498 WeakPolarHBondContact O-CE2 3.4Å
495	W	93.5	Very high	90.7	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.008	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-53.6	-37	-179.1	-69.6	-4.4	0	0	0	112.2	L440 G441 G486 R492 H497 Y498 Y499 E523 L527	L440-W495 HydrophobicContact CD1-CE3 4.44Å; L440-W495 HydrophobicContact CD2-CB 4.29Å; L440-W495 HydrophobicContact CD2-CD2 3.93Å; L440-W495 HydrophobicContact CD2-CG 3.84Å; G441-W495 WeakPolarHBondContact O-CZ2 3.24Å; G486-W495 PolarHBondContact O-NE1 2.97Å; R492-W495 HydrophobicContact CB-CD2 4.16Å; R492-W495 HydrophobicContact CB-CE3 4.41Å; R492-W495 HydrophobicContact CB-CH2 4.49Å; R492-W495 HydrophobicContact CB-CZ2 4.23Å; R492-W495 HydrophobicContact CG-CH2 4.11Å; R492-W495 HydrophobicContact CG-CZ2 3.74Å; R492-W495 VanDerWaalsContact O-CB 3.27Å; R492-W495 WeakPolarHBondContact O-CB 3.45Å; R492-W495 PolarHBondContact O-N 2.96Å; W495-H497 PolarHBondContact O-N 3.19Å; W495-H497 VanDerWaalsContact O-N 3.11Å; W495-Y498 PolarHBondContact O-N 2.86Å; W495-Y499 HydrophobicContact CB-CE1 3.89Å; W495-Y499 WeakPolarHBondContact CB-OH 3.27Å; W495-Y499 VanDerWaalsContact O-CD1 3.29Å; W495-Y499 WeakPolarHBondContact O-CD1 3.26Å; W495-Y499 WeakPolarHBondContact O-CE1 3.37Å; W495-E523 HydrophobicContact CH2-CB 4.44Å; W495-E523 HydrophobicContact CZ3-CB 4.14Å; W495-L527 HydrophobicContact CE3-CD1 4.05Å; W495-L527 HydrophobicContact CE3-CD2 4.04Å; W495-L527 HydrophobicContact CE3-CG 4.21Å; W495-L527 HydrophobicContact CZ3-CD1 3.77Å; W495-L527 HydrophobicContact CZ3-CG 4.28Å
496	K	90.6	Very high	90.9	Very high	118 Å²	118	59.9 Å²	59.9	51%	0.513	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-53.6	-28.4	175.5	69	-174.5	179.4	176.4	0	115.5	P493 L494 Y498 Y499	P493-K496 VanDerWaalsContact O-CE 3.31Å; P493-K496 WeakPolarHBondContact O-CE 3.47Å; L494-K496 PolarHBondContact O-N 3.42Å; L494-K496 VanDerWaalsContact O-N 3.15Å; K496-Y498 PolarHBondContact O-N 3.26Å; K496-Y499 HydrophobicContact CB-CD2 4.27Å; K496-Y499 HydrophobicContact CB-CE2 3.84Å; K496-Y499 PolarHBondContact N-OH 3Å
497	H	89.8	Confident	91.3	Very high	126 Å²	126	59.9 Å²	59.9	58%	0.583	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-72.8	-9.9	178	-61.3	-64.3	0	0	0	113.1	L494 W495	L494-H497 WeakPolarHBondContact O-CB 3.48Å; L494-H497 PolarHBondContact O-CD2 3.04Å; L494-H497 PolarHBondContact O-N 2.68Å; W495-H497 PolarHBondContact O-N 3.19Å; W495-H497 VanDerWaalsContact O-N 3.11Å
498	Y	91.3	Very high	91.6	Very high	33 Å²	33	59.8 Å²	59.8	13%	0.129	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-107.2	-7.8	-178.3	-55.7	-82.2	0	0	0	113.7	R436 V438 F468 W483 V485 L494 W495 K496 L500 T502	R436-Y498 VanDerWaalsContact CZ-O 3.31Å; R436-Y498 PolarHBondContact NH1-O 3.4Å; R436-Y498 PolarHBondContact NH2-O 3.25Å; V438-Y498 WeakPolarHBondContact CG2-O 3.4Å; F468-Y498 HydrophobicContact CB-CE1 4.08Å; F468-Y498 AromaticContact CD1-CE1 3.93Å; F468-Y498 HydrophobicContact CD1-CE1 3.93Å; F468-Y498 AromaticContact CD1-CZ 3.89Å; F468-Y498 WeakPolarHBondContact CD1-OH 3.27Å; F468-Y498 HydrophobicContact CD2-CE1 4.21Å; F468-Y498 HydrophobicContact CE1-CE1 4.44Å; F468-Y498 AromaticContact CG-CE1 3.81Å; F468-Y498 HydrophobicContact CG-CE1 3.81Å; W483-Y498 AromaticContact CE3-CD1 3.6Å; W483-Y498 HydrophobicContact CE3-CD1 3.6Å; W483-Y498 AromaticContact CE3-CE1 3.94Å; W483-Y498 HydrophobicContact CE3-CE1 3.94Å; W483-Y498 AromaticContact CZ3-CD1 4Å; W483-Y498 HydrophobicContact CZ3-CD1 4Å; W483-Y498 HydrophobicContact CZ3-CE1 4.07Å; V485-Y498 HydrophobicContact CG1-CD2 3.94Å; V485-Y498 HydrophobicContact CG1-CE2 3.76Å; V485-Y498 HydrophobicContact CG2-CD1 4.41Å; V485-Y498 HydrophobicContact CG2-CD2 3.95Å; V485-Y498 HydrophobicContact CG2-CE2 4.35Å; V485-Y498 HydrophobicContact CG2-CG 3.99Å; L494-Y498 WeakPolarHBondContact O-CD2 3.44Å; L494-Y498 WeakPolarHBondContact O-CE2 3.4Å; W495-Y498 PolarHBondContact O-N 2.86Å; K496-Y498 PolarHBondContact O-N 3.26Å; Y498-L500 PolarHBondContact O-N 3.35Å; Y498-T502 PolarHBondContact O-OG1 2.68Å
499	Y	91.9	Very high	92	Very high	9 Å²	9	55.7 Å²	55.7	4%	0.035	27%	0.272	C	S	.	.			trans	-70.5	-27.7	-174.7	-57.6	-18.2	0	0	0	114.4	L440 W495 K496 N501 T502 L527 E530 L533	L440-Y499 HydrophobicContact CD1-CE1 3.99Å; W495-Y499 HydrophobicContact CB-CE1 3.89Å; W495-Y499 WeakPolarHBondContact CB-OH 3.27Å; W495-Y499 VanDerWaalsContact O-CD1 3.29Å; W495-Y499 WeakPolarHBondContact O-CD1 3.26Å; W495-Y499 WeakPolarHBondContact O-CE1 3.37Å; K496-Y499 HydrophobicContact CB-CD2 4.27Å; K496-Y499 HydrophobicContact CB-CE2 3.84Å; K496-Y499 PolarHBondContact N-OH 3Å; Y499-N501 PolarHBondContact O-N 3.3Å; Y499-T502 VanDerWaalsContact C-OG1 3.23Å; Y499-T502 VanDerWaalsContact O-CB 3.26Å; Y499-T502 WeakPolarHBondContact O-CB 3.41Å; Y499-T502 PolarHBondContact O-N 3.36Å; Y499-T502 VanDerWaalsContact O-N 3.15Å; Y499-T502 PolarHBondContact O-OG1 3.44Å; Y499-L527 HydrophobicContact CE1-CD2 3.67Å; Y499-L527 WeakPolarHBondContact OH-CD2 3.37Å; Y499-E530 HydrophobicContact CD2-CB 4.1Å; Y499-E530 HydrophobicContact CD2-CG 4.2Å; Y499-E530 HydrophobicContact CE2-CB 3.93Å; Y499-E530 HydrophobicContact CE2-CG 3.52Å; Y499-L533 HydrophobicContact CD1-CD1 3.74Å; Y499-L533 HydrophobicContact CD1-CD2 4.04Å; Y499-L533 HydrophobicContact CD1-CG 4.08Å; Y499-L533 HydrophobicContact CD2-CD1 4.06Å; Y499-L533 HydrophobicContact CD2-CG 4.06Å; Y499-L533 HydrophobicContact CE1-CD1 3.9Å; Y499-L533 HydrophobicContact CE2-CD1 4.21Å; Y499-L533 HydrophobicContact CG-CD1 3.86Å; Y499-L533 HydrophobicContact CG-CD2 3.91Å; Y499-L533 HydrophobicContact CG-CG 3.77Å
500	L	88.2	Confident	92.2	Very high	119 Å²	119	49.9 Å²	49.9	62%	0.623	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	128.9	-175.7	-175.6	65.3	0	0	0	112	R436 Y498 T502	R436-L500 PolarHBondContact NH1-O 2.93Å; Y498-L500 PolarHBondContact O-N 3.35Å; L500-T502 VanDerWaalsContact C-N 3.29Å; L500-T502 PolarHBondContact O-N 3.44Å
501	N	85.6	Confident	92.6	Very high	120 Å²	120	40.8 Å²	40.8	64%	0.642	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	34.4	-178.9	-57	-11.1	0	0	0	114.3	Y499 Q503	Y499-N501 PolarHBondContact O-N 3.3Å; N501-Q503 PolarHBondContact O-OE1 2.97Å
502	T	91.9	Very high	92.8	Very high	12 Å²	12	40.5 Å²	40.5	7%	0.074	21%	0.207	C	C	.	.			trans	-86.4	121.3	173.5	-54	0	0	0	0	110.8	R436 V438 Y498 Y499 L500 A504 V505 L533	R436-T502 PolarHBondContact NH1-OG1 2.93Å; V438-T502 HydrophobicContact CB-CG2 4.21Å; V438-T502 HydrophobicContact CG2-CG2 3.73Å; V438-T502 WeakPolarHBondContact CG2-OG1 3.41Å; Y498-T502 PolarHBondContact O-OG1 2.68Å; Y499-T502 VanDerWaalsContact C-OG1 3.23Å; Y499-T502 VanDerWaalsContact O-CB 3.26Å; Y499-T502 WeakPolarHBondContact O-CB 3.41Å; Y499-T502 PolarHBondContact O-N 3.36Å; Y499-T502 VanDerWaalsContact O-N 3.15Å; Y499-T502 PolarHBondContact O-OG1 3.44Å; L500-T502 VanDerWaalsContact C-N 3.29Å; L500-T502 PolarHBondContact O-N 3.44Å; T502-A504 WeakPolarHBondContact CG2-O 3.48Å; T502-V505 HydrophobicContact CG2-CG2 4.09Å; T502-L533 HydrophobicContact CG2-CD2 4.31Å
503	Q	91.8	Very high	92.6	Very high	76 Å²	76	44.3 Å²	44.3	36%	0.355	23%	0.225	S	C	.	.	S	Bend	trans	-86.1	-26.3	173.4	-64.3	83.1	7.2	0	0	112.7	I435 R436 N501 A536 L537 L595	I435-Q503 HydrophobicContact CG2-CB 4.18Å; R436-Q503 VanDerWaalsContact CB-OE1 3.26Å; R436-Q503 PolarHBondContact O-N 3.45Å; R436-Q503 PolarHBondContact O-OE1 2.8Å; R436-Q503 VanDerWaalsContact O-OE1 3.14Å; N501-Q503 PolarHBondContact O-OE1 2.97Å; Q503-A536 WeakPolarHBondContact O-CA 3.44Å; Q503-L537 PolarHBondContact O-N 2.8Å; Q503-L595 HydrophobicContact CB-CD2 4.21Å
504	A	95	Very high	92.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	142.7	176.8	0	0	0	0	0	113.1	V437 V438 T502 L537 L591	V437-A504 VanDerWaalsContact CA-O 3.28Å; V437-A504 WeakPolarHBondContact CA-O 3.42Å; V437-A504 HydrophobicContact CG2-CB 4.38Å; V438-A504 PolarHBondContact N-O 3.45Å; T502-A504 WeakPolarHBondContact CG2-O 3.48Å; A504-L537 CarbonylContact C-O 3.58Å; A504-L537 WeakPolarHBondContact CA-O 3.47Å; A504-L537 HydrophobicContact CB-CB 4.08Å; A504-L591 HydrophobicContact CB-CD2 3.73Å
505	V	96.7	Very high	92.7	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.024	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126.9	171.1	179.6	0	0	0	0	108.6	V438 L440 T502 L533 A536 L537 L538 L539	V438-V505 WeakPolarHBondContact O-CA 3.28Å; L440-V505 HydrophobicContact CD1-CG1 4.1Å; L440-V505 HydrophobicContact CG-CG1 4.45Å; T502-V505 HydrophobicContact CG2-CG2 4.09Å; V505-L533 HydrophobicContact CG2-CD1 4.14Å; V505-L533 HydrophobicContact CG2-CD2 3.73Å; V505-L533 HydrophobicContact CG2-CG 4.45Å; V505-A536 HydrophobicContact CG2-CB 4.39Å; V505-L537 PolarHBondContact N-O 2.88Å; V505-L538 HydrophobicContact CB-CD1 4.31Å; V505-L538 HydrophobicContact CG1-CD1 4.28Å; V505-L539 PolarHBondContact O-N 3.41Å
506	V	97.5	Very high	92.7	Very high	8 Å²	8	52.5 Å²	52.5	5%	0.048	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	109.8	170.1	176.2	0	0	0	0	107.8	V437 V438 T439 L440 V508 L539 F541 L591	V437-V506 HydrophobicContact CG1-CB 4.33Å; V437-V506 HydrophobicContact CG1-CG2 3.54Å; V438-V506 PolarHBondContact O-N 2.92Å; T439-V506 CarbonylContact C-O 3.54Å; T439-V506 VanDerWaalsContact CA-O 3.27Å; T439-V506 WeakPolarHBondContact CA-O 3.28Å; T439-V506 HydrophobicContact CG2-CB 4.21Å; T439-V506 HydrophobicContact CG2-CG1 4.06Å; L440-V506 PolarHBondContact N-O 3.06Å; V506-V508 HydrophobicContact CG1-CG2 4.1Å; V506-L539 CarbonylContact C-O 3.59Å; V506-L539 VanDerWaalsContact CA-O 3.3Å; V506-L539 WeakPolarHBondContact CA-O 3.45Å; V506-L539 HydrophobicContact CG2-CB 4.35Å; V506-L539 HydrophobicContact CG2-CD2 4.33Å; V506-F541 HydrophobicContact CG1-CD2 3.44Å; V506-F541 VanDerWaalsContact CG1-CD2 3.44Å; V506-F541 HydrophobicContact CG1-CE2 3.76Å; V506-L591 HydrophobicContact CG2-CD1 4.2Å
507	Y	97.5	Very high	92.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	114.2	178.9	-165.8	-95.6	0	0	0	110.4	L440 I509 A520 L524 L527 L539 I540 F541	L440-Y507 HydrophobicContact CB-CD2 4.11Å; L440-Y507 WeakPolarHBondContact O-CA 3.35Å; Y507-I509 HydrophobicContact CD1-CD1 3.9Å; Y507-I509 HydrophobicContact CD1-CG1 3.61Å; Y507-I509 HydrophobicContact CE1-CD1 3.88Å; Y507-I509 HydrophobicContact CE1-CG1 3.61Å; Y507-A520 HydrophobicContact CE1-CB 4.39Å; Y507-A520 WeakPolarHBondContact OH-CA 3.16Å; Y507-A520 PolarHBondContact OH-O 2.96Å; Y507-L524 HydrophobicContact CD1-CD1 4.13Å; Y507-L524 HydrophobicContact CD1-CD2 4.37Å; Y507-L524 HydrophobicContact CD2-CD1 4.1Å; Y507-L524 HydrophobicContact CE1-CB 4.07Å; Y507-L524 HydrophobicContact CE2-CB 4.38Å; Y507-L524 HydrophobicContact CE2-CD1 4.48Å; Y507-L524 HydrophobicContact CG-CD1 3.92Å; Y507-L527 HydrophobicContact CD2-CD1 3.64Å; Y507-L527 HydrophobicContact CE2-CD1 3.53Å; Y507-L539 PolarHBondContact N-O 2.92Å; Y507-I540 CarbonylContact O-C 3.55Å; Y507-I540 VanDerWaalsContact O-CA 3.28Å; Y507-I540 WeakPolarHBondContact O-CA 3.33Å; Y507-F541 PolarHBondContact O-N 3.33Å
508	V	97.1	Very high	92.9	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.2	-175.7	-170.3	0	0	0	0	110.7	T439 L440 A445 K447 I450 V506 F541 N543	T439-V508 HydrophobicContact CG2-CG2 3.82Å; L440-V508 PolarHBondContact O-N 3.01Å; A445-V508 HydrophobicContact CB-CG1 4.23Å; A445-V508 WeakPolarHBondContact CB-O 3.45Å; A445-V508 WeakPolarHBondContact O-CG1 3.25Å; K447-V508 HydrophobicContact CB-CG2 4.41Å; K447-V508 HydrophobicContact CG-CB 3.75Å; K447-V508 HydrophobicContact CG-CG1 4.49Å; K447-V508 HydrophobicContact CG-CG2 3.75Å; I450-V508 HydrophobicContact CD1-CG1 3.72Å; I450-V508 HydrophobicContact CD1-CG2 4.06Å; V506-V508 HydrophobicContact CG1-CG2 4.1Å; V508-F541 HydrophobicContact CG1-CB 4.32Å; V508-F541 HydrophobicContact CG2-CB 4.3Å; V508-F541 HydrophobicContact CG2-CD2 4.49Å; V508-N543 HydrophobicContact CG1-CB 3.87Å
509	I	96.6	Very high	93.1	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.6	179.8	-54.8	-172.6	0	0	0	108.9	Y507 L517 I540 F541 N543 M556 L560	Y507-I509 HydrophobicContact CD1-CD1 3.9Å; Y507-I509 HydrophobicContact CD1-CG1 3.61Å; Y507-I509 HydrophobicContact CE1-CD1 3.88Å; Y507-I509 HydrophobicContact CE1-CG1 3.61Å; I509-L517 HydrophobicContact CG2-CD2 3.5Å; I509-I540 HydrophobicContact CD1-CG2 3.74Å; I509-I540 HydrophobicContact CG1-CG2 4.07Å; I509-F541 PolarHBondContact N-O 3.23Å; I509-N543 PolarHBondContact O-N 2.97Å; I509-M556 HydrophobicContact CB-CE 4.45Å; I509-M556 HydrophobicContact CB-SD 3.99Å; I509-M556 HydrophobicContact CD1-SD 4.05Å; I509-M556 HydrophobicContact CG2-CE 3.89Å; I509-M556 HydrophobicContact CG2-SD 3.76Å; I509-L560 HydrophobicContact CD1-CD1 3.36Å
510	D	95.2	Very high	93.2	Very high	9 Å²	9	48.9 Å²	48.9	5%	0.048	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	110.3	172.8	-164.3	-41.4	0	0	0	109.8	A445 C512 H513 K544	A445-D510 HydrophobicContact CB-CB 4.32Å; D510-C512 PolarHBondContact O-N 2.96Å; D510-C512 VanDerWaalsContact OD1-CB 3.31Å; D510-C512 WeakPolarHBondContact OD1-CB 3.47Å; D510-C512 PolarHBondContact OD1-N 3.2Å; D510-H513 HydrophobicContact CB-CB 4.48Å; D510-H513 VanDerWaalsContact CG-CD2 3.47Å; D510-H513 IonicContact OD1-CD2 3.28Å; D510-H513 IonicContact OD2-CD2 3.11Å; D510-H513 PolarHBondContact OD2-CD2 3.36Å; D510-H513 IonicContact OD2-NE2 3.78Å; D510-K544 IonicContact OD1-NZ 2.69Å; D510-K544 WeakPolarHBondContact OD2-CE 3.15Å; D510-K544 IonicContact OD2-NZ 2.66Å; D510-K544 PolarHBondContact OD2-NZ 3.07Å
511	S	95.2	Very high	93.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.6	-176.9	-45.1	0	0	0	0	113	A542 N543 Q545 A550 V551	S511-A542 PolarHBondContact OG-O 3.47Å; S511-N543 WeakPolarHBondContact CB-O 3.41Å; S511-N543 PolarHBondContact N-O 3.45Å; S511-N543 PolarHBondContact OG-N 3.2Å; S511-N543 PolarHBondContact OG-O 2.9Å; S511-Q545 VanDerWaalsContact CB-NE2 3.28Å; S511-Q545 PolarHBondContact OG-NE2 2.85Å; S511-A550 WeakPolarHBondContact O-CA 3.36Å; S511-V551 WeakPolarHBondContact O-CG2 3.25Å; S511-V551 PolarHBondContact O-N 2.84Å
512	C	92.6	Very high	94	Very high	35 Å²	35	42.4 Å²	42.4	24%	0.236	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-23.5	-177.3	-54.1	0	0	0	0	112.9	D510 R514 K544 V547	D510-C512 PolarHBondContact O-N 2.96Å; D510-C512 VanDerWaalsContact OD1-CB 3.31Å; D510-C512 WeakPolarHBondContact OD1-CB 3.47Å; D510-C512 PolarHBondContact OD1-N 3.2Å; C512-R514 PolarHBondContact O-N 3.45Å; C512-K544 WeakPolarHBondContact SG-CB 3.4Å; C512-V547 WeakPolarHBondContact SG-CB 3.26Å
513	H	89	Confident	94.1	Very high	93 Å²	93	42.9 Å²	42.9	43%	0.431	21%	0.211	S	C	.	.			trans	-104.7	71.9	-170.1	-69.2	-44.2	0	0	0	112	D510 D515 R516 L517	D510-H513 HydrophobicContact CB-CB 4.48Å; D510-H513 VanDerWaalsContact CG-CD2 3.47Å; D510-H513 IonicContact OD1-CD2 3.28Å; D510-H513 IonicContact OD2-CD2 3.11Å; D510-H513 PolarHBondContact OD2-CD2 3.36Å; D510-H513 IonicContact OD2-NE2 3.78Å; H513-D515 VanDerWaalsContact C-N 3.26Å; H513-D515 PolarHBondContact O-N 3.14Å; H513-R516 HydrophobicContact CB-CB 4.35Å; H513-R516 PolarHBondContact O-N 3.49Å; H513-L517 PolarHBondContact O-N 3.42Å
514	R	89.6	Confident	94.3	Very high	113 Å²	113	39.3 Å²	39.3	43%	0.426	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-46.4	-45.4	178.3	-76.9	179.2	176.8	-99	-4.2	113.2	C512 R516 L517 V551 E555	C512-R514 PolarHBondContact O-N 3.45Å; R514-R516 PolarHBondContact O-N 3.19Å; R514-R516 VanDerWaalsContact O-N 3.15Å; R514-L517 WeakPolarHBondContact O-CB 3.25Å; R514-L517 WeakPolarHBondContact O-CG 3.35Å; R514-L517 PolarHBondContact O-N 3.03Å; R514-V551 HydrophobicContact CG-CG2 3.49Å; R514-V551 VanDerWaalsContact CG-CG2 3.49Å; R514-E555 IonicContact CZ-OE1 2.72Å; R514-E555 VanDerWaalsContact CZ-OE1 3.31Å; R514-E555 IonicContact CZ-OE2 3.35Å; R514-E555 IonicContact NH1-OE1 3.93Å; R514-E555 PolarHBondContact NH1-OE1 3.46Å; R514-E555 IonicContact NH1-OE2 2.76Å; R514-E555 VanDerWaalsContact NH2-CD 3.28Å; R514-E555 IonicContact NH2-OE1 2.63Å; R514-E555 PolarHBondContact NH2-OE1 3.09Å; R514-E555 IonicContact NH2-OE2 2.6Å; R514-E555 PolarHBondContact NH2-OE2 2.87Å
515	D	90.3	Very high	94.3	Very high	158 Å²	158	40.6 Å²	40.6	85%	0.845	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-59.1	-29.2	-178.9	-52.5	-39.2	0	0	0	113.5	H513	H513-D515 VanDerWaalsContact C-N 3.26Å; H513-D515 PolarHBondContact O-N 3.14Å
516	R	92.9	Very high	94.1	Very high	65 Å²	65	45.2 Å²	45.2	25%	0.245	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-93.1	-1.2	-179.6	-77.3	-178.7	46.9	-167.4	-32.1	113.8	L442 D443 H513 R514 M518 E519 A520	L442-R516 HydrophobicContact CD1-CB 4.24Å; D443-R516 PolarHBondContact O-NH1 3.4Å; D443-R516 VanDerWaalsContact O-NH1 3.15Å; D443-R516 PolarHBondContact O-NH2 3.17Å; D443-R516 IonicContact OD2-NH1 2.66Å; H513-R516 HydrophobicContact CB-CB 4.35Å; H513-R516 PolarHBondContact O-N 3.49Å; R514-R516 PolarHBondContact O-N 3.19Å; R514-R516 VanDerWaalsContact O-N 3.15Å; R516-M518 VanDerWaalsContact C-N 3.29Å; R516-M518 PolarHBondContact O-N 3.5Å; R516-E519 IonicContact NE-OE2 2.71Å; R516-E519 PolarHBondContact NE-OE2 3.1Å; R516-E519 WeakPolarHBondContact O-CB 3.47Å; R516-E519 PolarHBondContact O-N 3.22Å; R516-A520 PolarHBondContact O-N 3.18Å
517	L	92.7	Very high	93.9	Very high	10 Å²	10	45 Å²	45	5%	0.052	22%	0.223	C	C	.	.	H	α-helix	trans	-64	-35.2	174.6	-67.5	177.1	0	0	0	112.1	I509 H513 R514 E519 A520 H521 V551 M556 L559 L560	I509-L517 HydrophobicContact CG2-CD2 3.5Å; H513-L517 PolarHBondContact O-N 3.42Å; R514-L517 WeakPolarHBondContact O-CB 3.25Å; R514-L517 WeakPolarHBondContact O-CG 3.35Å; R514-L517 PolarHBondContact O-N 3.03Å; L517-E519 VanDerWaalsContact C-N 3.34Å; L517-E519 PolarHBondContact O-N 3.3Å; L517-A520 PolarHBondContact O-N 3.08Å; L517-H521 WeakPolarHBondContact O-CB 3.16Å; L517-H521 PolarHBondContact O-N 2.95Å; L517-V551 HydrophobicContact CD1-CG2 4.03Å; L517-M556 HydrophobicContact CD2-CE 4.3Å; L517-L559 HydrophobicContact CD1-CD1 3.97Å; L517-L560 HydrophobicContact CB-CD2 4.42Å
518	M	92.6	Very high	93.7	Very high	136 Å²	136	46.3 Å²	46.3	67%	0.67	23%	0.23	S	C	*	.	H	α-helix	trans	-66.8	-34.6	174.8	-70.4	-59	-63.3	0	0	112.6	R516 S522	R516-M518 VanDerWaalsContact C-N 3.29Å; R516-M518 PolarHBondContact O-N 3.5Å; M518-S522 WeakPolarHBondContact O-CB 3.48Å; M518-S522 PolarHBondContact O-N 3.48Å; M518-S522 VanDerWaalsContact O-N 3.09Å
519	E	94.9	Very high	93.4	Very high	60 Å²	60	51.7 Å²	51.7	28%	0.28	26%	0.263	S	S	.	.	H	α-helix	trans	-67.5	-45.3	172.4	-172.1	-172.1	-166.8	0	0	110.5	L442 R492 R516 L517 H521 S522 E523	L442-E519 HydrophobicContact CD1-CB 4.14Å; L442-E519 HydrophobicContact CD1-CG 4.14Å; L442-E519 HydrophobicContact CD2-CG 4.03Å; R492-E519 IonicContact CZ-OE1 3.02Å; R492-E519 IonicContact NH1-OE1 3.71Å; R492-E519 PolarHBondContact NH1-OE1 3.32Å; R492-E519 IonicContact NH2-OE1 3.05Å; R492-E519 PolarHBondContact NH2-OE1 3.14Å; R516-E519 IonicContact NE-OE2 2.71Å; R516-E519 PolarHBondContact NE-OE2 3.1Å; R516-E519 WeakPolarHBondContact O-CB 3.47Å; R516-E519 PolarHBondContact O-N 3.22Å; L517-E519 VanDerWaalsContact C-N 3.34Å; L517-E519 PolarHBondContact O-N 3.3Å; E519-H521 PolarHBondContact O-N 3.41Å; E519-S522 PolarHBondContact O-N 3Å; E519-E523 PolarHBondContact O-N 3Å
520	A	94.9	Very high	93.3	Very high	3 Å²	3	54.5 Å²	54.5	3%	0.025	28%	0.276	C	S	.	.	H	α-helix	trans	-61.6	-44.2	176.7	0	0	0	0	0	111.7	L442 Y507 R516 L517 S522 E523 L524	L442-A520 HydrophobicContact CD1-CB 3.87Å; L442-A520 HydrophobicContact CG-CB 4.23Å; Y507-A520 HydrophobicContact CE1-CB 4.39Å; Y507-A520 WeakPolarHBondContact OH-CA 3.16Å; Y507-A520 PolarHBondContact OH-O 2.96Å; R516-A520 PolarHBondContact O-N 3.18Å; L517-A520 PolarHBondContact O-N 3.08Å; A520-S522 VanDerWaalsContact C-N 3.35Å; A520-S522 PolarHBondContact O-N 3.3Å; A520-E523 PolarHBondContact O-N 2.92Å; A520-L524 VanDerWaalsContact O-CB 3.26Å; A520-L524 WeakPolarHBondContact O-CB 3.24Å; A520-L524 PolarHBondContact O-N 3.31Å
521	H	95.2	Very high	93	Very high	50 Å²	50	61.9 Å²	61.9	23%	0.231	31%	0.307	C	S	.	.	H	α-helix	trans	-56.3	-47	173.3	176.8	-97.4	0	0	0	111.8	L517 E519 E523 L524 A525 L560	L517-H521 WeakPolarHBondContact O-CB 3.16Å; L517-H521 PolarHBondContact O-N 2.95Å; E519-H521 PolarHBondContact O-N 3.41Å; H521-E523 PolarHBondContact O-N 2.93Å; H521-L524 PolarHBondContact O-N 3.33Å; H521-A525 VanDerWaalsContact O-CB 3.27Å; H521-A525 WeakPolarHBondContact O-CB 3.49Å; H521-A525 PolarHBondContact O-N 3.36Å; H521-L560 HydrophobicContact CB-CD2 3.72Å; H521-L560 PolarHBondContact CD2-O 3.35Å; H521-L560 VanDerWaalsContact CD2-O 3.32Å
522	S	94.7	Very high	92.8	Very high	54 Å²	54	67 Å²	67	38%	0.378	33%	0.331	S	S	.	.	H	α-helix	trans	-62.4	-43.3	-180	-172.5	0	0	0	0	112.3	M518 E519 A520 K526	M518-S522 WeakPolarHBondContact O-CB 3.48Å; M518-S522 PolarHBondContact O-N 3.48Å; M518-S522 VanDerWaalsContact O-N 3.09Å; E519-S522 PolarHBondContact O-N 3Å; A520-S522 VanDerWaalsContact C-N 3.35Å; A520-S522 PolarHBondContact O-N 3.3Å; S522-K526 VanDerWaalsContact O-CG 3.31Å; S522-K526 WeakPolarHBondContact O-CG 3.3Å; S522-K526 PolarHBondContact O-N 3.06Å
523	E	95.2	Very high	92.8	Very high	22 Å²	22	65.4 Å²	65.4	10%	0.103	32%	0.32	C	S	.	.	H	α-helix	trans	-71.1	-38	176.6	-63.4	-56.1	130.7	0	0	112.6	L442 W495 E519 A520 H521 K526 L527	L442-E523 HydrophobicContact CD2-CG 4.03Å; W495-E523 HydrophobicContact CH2-CB 4.44Å; W495-E523 HydrophobicContact CZ3-CB 4.14Å; E519-E523 PolarHBondContact O-N 3Å; A520-E523 PolarHBondContact O-N 2.92Å; H521-E523 PolarHBondContact O-N 2.93Å; E523-K526 PolarHBondContact O-N 2.89Å; E523-K526 IonicContact OE1-NZ 3.87Å; E523-K526 PolarHBondContact OE1-NZ 3.39Å; E523-K526 IonicContact OE2-NZ 2.62Å; E523-L527 WeakPolarHBondContact O-CG 3.46Å; E523-L527 PolarHBondContact O-N 2.82Å
524	L	95.3	Very high	92.7	Very high	1 Å²	1	68.6 Å²	68.6	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-64.5	-41.9	174.2	-179.1	59.7	0	0	0	111.5	Y507 A520 H521 K526 L527 L528 L538 I540 L562 L565	Y507-L524 HydrophobicContact CD1-CD1 4.13Å; Y507-L524 HydrophobicContact CD1-CD2 4.37Å; Y507-L524 HydrophobicContact CD2-CD1 4.1Å; Y507-L524 HydrophobicContact CE1-CB 4.07Å; Y507-L524 HydrophobicContact CE2-CB 4.38Å; Y507-L524 HydrophobicContact CE2-CD1 4.48Å; Y507-L524 HydrophobicContact CG-CD1 3.92Å; A520-L524 VanDerWaalsContact O-CB 3.26Å; A520-L524 WeakPolarHBondContact O-CB 3.24Å; A520-L524 PolarHBondContact O-N 3.31Å; H521-L524 PolarHBondContact O-N 3.33Å; L524-K526 VanDerWaalsContact C-N 3.34Å; L524-K526 PolarHBondContact O-N 2.92Å; L524-L527 WeakPolarHBondContact O-CB 3.29Å; L524-L527 PolarHBondContact O-N 2.96Å; L524-L528 HydrophobicContact CD1-CD1 4.05Å; L524-L528 HydrophobicContact CD1-CG 4.21Å; L524-L528 HydrophobicContact CG-CD1 3.94Å; L524-L528 VanDerWaalsContact O-CG 3.28Å; L524-L528 WeakPolarHBondContact O-CG 3.49Å; L524-L528 PolarHBondContact O-N 3.09Å; L524-L538 HydrophobicContact CD1-CD1 4.17Å; L524-L538 HydrophobicContact CD1-CD2 4.36Å; L524-I540 HydrophobicContact CD2-CD1 4.12Å; L524-L562 HydrophobicContact CD2-CD2 3.98Å; L524-L565 HydrophobicContact CD2-CD2 4.09Å; L524-L565 HydrophobicContact CG-CD2 4.08Å
525	A	94.3	Very high	92.6	Very high	27 Å²	27	70.3 Å²	70.3	22%	0.223	35%	0.346	C	S	.	.	H	α-helix	trans	-60.5	-43	176.3	0	0	0	0	0	111.9	H521 L528 T529 L565	H521-A525 VanDerWaalsContact O-CB 3.27Å; H521-A525 WeakPolarHBondContact O-CB 3.49Å; H521-A525 PolarHBondContact O-N 3.36Å; A525-L528 PolarHBondContact O-N 3.3Å; A525-T529 PolarHBondContact O-N 2.94Å; A525-L565 HydrophobicContact CB-CD1 3.84Å
526	K	93.8	Very high	92.7	Very high	100 Å²	100	63 Å²	63	44%	0.435	31%	0.308	S	S	.	.	H	α-helix	trans	-58.9	-51.7	173.1	-66.7	165.5	-162.4	173.9	0	110.9	S522 E523 L524 L528 T529	S522-K526 VanDerWaalsContact O-CG 3.31Å; S522-K526 WeakPolarHBondContact O-CG 3.3Å; S522-K526 PolarHBondContact O-N 3.06Å; E523-K526 PolarHBondContact O-N 2.89Å; E523-K526 IonicContact OE1-NZ 3.87Å; E523-K526 PolarHBondContact OE1-NZ 3.39Å; E523-K526 IonicContact OE2-NZ 2.62Å; L524-K526 VanDerWaalsContact C-N 3.34Å; L524-K526 PolarHBondContact O-N 2.92Å; K526-L528 PolarHBondContact O-N 2.87Å; K526-T529 PolarHBondContact O-N 3.16Å; K526-T529 PolarHBondContact O-OG1 3.23Å
527	L	93.6	Very high	92.8	Very high	5 Å²	5	60.8 Å²	60.8	3%	0.026	30%	0.301	C	S	.	.	H	α-helix	trans	-53.7	-38.5	179.3	-77.7	168.3	0	0	0	113.4	L440 W495 Y499 Y507 E523 L524 T529 E530 L533	L440-L527 HydrophobicContact CB-CD1 4.27Å; L440-L527 HydrophobicContact CD1-CD1 3.92Å; L440-L527 HydrophobicContact CD1-CD2 3.46Å; L440-L527 VanDerWaalsContact CD1-CD2 3.46Å; L440-L527 HydrophobicContact CD1-CG 4.37Å; W495-L527 HydrophobicContact CE3-CD1 4.05Å; W495-L527 HydrophobicContact CE3-CD2 4.04Å; W495-L527 HydrophobicContact CE3-CG 4.21Å; W495-L527 HydrophobicContact CZ3-CD1 3.77Å; W495-L527 HydrophobicContact CZ3-CG 4.28Å; Y499-L527 HydrophobicContact CE1-CD2 3.67Å; Y499-L527 WeakPolarHBondContact OH-CD2 3.37Å; Y507-L527 HydrophobicContact CD2-CD1 3.64Å; Y507-L527 HydrophobicContact CE2-CD1 3.53Å; E523-L527 WeakPolarHBondContact O-CG 3.46Å; E523-L527 PolarHBondContact O-N 2.82Å; L524-L527 WeakPolarHBondContact O-CB 3.29Å; L524-L527 PolarHBondContact O-N 2.96Å; L527-T529 VanDerWaalsContact C-N 3.3Å; L527-T529 PolarHBondContact O-N 2.86Å; L527-E530 PolarHBondContact O-N 2.96Å; L527-L533 HydrophobicContact CD2-CD1 4.04Å
528	L	91.7	Very high	92.9	Very high	27 Å²	27	60.5 Å²	60.5	14%	0.141	30%	0.299	C	S	.	.	H	α-helix	trans	-76.3	-15.9	-178	-65.4	169.6	0	0	0	113.8	L524 A525 K526 L538 L565 R569	L524-L528 HydrophobicContact CD1-CD1 4.05Å; L524-L528 HydrophobicContact CD1-CG 4.21Å; L524-L528 HydrophobicContact CG-CD1 3.94Å; L524-L528 VanDerWaalsContact O-CG 3.28Å; L524-L528 WeakPolarHBondContact O-CG 3.49Å; L524-L528 PolarHBondContact O-N 3.09Å; A525-L528 PolarHBondContact O-N 3.3Å; K526-L528 PolarHBondContact O-N 2.87Å; L528-L538 HydrophobicContact CD2-CD2 4Å; L528-L565 HydrophobicContact CD1-CD2 3.88Å; L528-L565 HydrophobicContact CD1-CG 3.72Å; L528-R569 PolarHBondContact O-NH2 3.08Å
529	T	92.1	Very high	93.2	Very high	113 Å²	113	54 Å²	54	69%	0.693	27%	0.267	S	S	*	.	H	α-helix	trans	-82.6	-13.6	172.7	62.1	0	0	0	0	114.1	A525 K526 L527	A525-T529 PolarHBondContact O-N 2.94Å; K526-T529 PolarHBondContact O-N 3.16Å; K526-T529 PolarHBondContact O-OG1 3.23Å; L527-T529 VanDerWaalsContact C-N 3.3Å; L527-T529 PolarHBondContact O-N 2.86Å
530	E	93.1	Very high	93.3	Very high	64 Å²	64	51.1 Å²	51.1	30%	0.299	25%	0.254	S	S	.	.			trans	-72.2	134.7	-175.6	-59.3	-76.4	-155.6	0	0	111.4	Y499 L527 L533	Y499-E530 HydrophobicContact CD2-CB 4.1Å; Y499-E530 HydrophobicContact CD2-CG 4.2Å; Y499-E530 HydrophobicContact CE2-CB 3.93Å; Y499-E530 HydrophobicContact CE2-CG 3.52Å; L527-E530 PolarHBondContact O-N 2.96Å; E530-L533 HydrophobicContact CB-CD1 4.38Å; E530-L533 HydrophobicContact CB-CG 4.44Å; E530-L533 PolarHBondContact O-N 2.89Å
531	K	90.4	Very high	93.5	Very high	163 Å²	163	51.1 Å²	51.1	71%	0.709	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-72.9	-37.8	-171.6	-67.2	-179.3	-176.1	175.3	0	111.9	L533 R534	K531-L533 PolarHBondContact O-N 3.38Å; K531-R534 WeakPolarHBondContact O-CB 3.41Å; K531-R534 PolarHBondContact O-N 2.94Å; K531-R534 VanDerWaalsContact O-N 3.16Å
532	E	90.8	Very high	93.5	Very high	107 Å²	107	48.7 Å²	48.7	50%	0.5	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-62.3	-23.8	178.3	-62.8	89.6	154.6	0	0	112.5
533	L	91.9	Very high	93.6	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-99.4	4.7	-179.9	-62.6	-178.4	0	0	0	113	Y499 T502 V505 L527 E530 K531 D535 A536 R569	Y499-L533 HydrophobicContact CD1-CD1 3.74Å; Y499-L533 HydrophobicContact CD1-CD2 4.04Å; Y499-L533 HydrophobicContact CD1-CG 4.08Å; Y499-L533 HydrophobicContact CD2-CD1 4.06Å; Y499-L533 HydrophobicContact CD2-CG 4.06Å; Y499-L533 HydrophobicContact CE1-CD1 3.9Å; Y499-L533 HydrophobicContact CE2-CD1 4.21Å; Y499-L533 HydrophobicContact CG-CD1 3.86Å; Y499-L533 HydrophobicContact CG-CD2 3.91Å; Y499-L533 HydrophobicContact CG-CG 3.77Å; T502-L533 HydrophobicContact CG2-CD2 4.31Å; V505-L533 HydrophobicContact CG2-CD1 4.14Å; V505-L533 HydrophobicContact CG2-CD2 3.73Å; V505-L533 HydrophobicContact CG2-CG 4.45Å; L527-L533 HydrophobicContact CD2-CD1 4.04Å; E530-L533 HydrophobicContact CB-CD1 4.38Å; E530-L533 HydrophobicContact CB-CG 4.44Å; E530-L533 PolarHBondContact O-N 2.89Å; K531-L533 PolarHBondContact O-N 3.38Å; L533-D535 PolarHBondContact O-N 2.92Å; L533-A536 HydrophobicContact CD2-CB 4.39Å; L533-A536 WeakPolarHBondContact O-CB 3.39Å; L533-A536 PolarHBondContact O-N 2.88Å; L533-R569 VanDerWaalsContact O-CZ 3.26Å; L533-R569 PolarHBondContact O-NH1 3.01Å; L533-R569 PolarHBondContact O-NH2 3.38Å
534	R	87.7	Confident	93.5	Very high	160 Å²	160	47.8 Å²	47.8	60%	0.604	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-49.8	-173	-179.3	179.7	-63.7	-175.1	-1.4	113.3	K531 A536	K531-R534 WeakPolarHBondContact O-CB 3.41Å; K531-R534 PolarHBondContact O-N 2.94Å; K531-R534 VanDerWaalsContact O-N 3.16Å; R534-A536 VanDerWaalsContact C-N 3.35Å
535	D	86.3	Confident	93.4	Very high	149 Å²	149	51 Å²	51	80%	0.797	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-0.9	-174.1	-49.9	-41.2	0	0	0	112.1	L533	L533-D535 PolarHBondContact O-N 2.92Å
536	A	92.4	Very high	93.3	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.033	26%	0.256	C	S	.	.			trans	-76.8	131.5	179.2	0	0	0	0	0	111.6	Q503 V505 L533 R534 R569	Q503-A536 WeakPolarHBondContact O-CA 3.44Å; V505-A536 HydrophobicContact CG2-CB 4.39Å; L533-A536 HydrophobicContact CD2-CB 4.39Å; L533-A536 WeakPolarHBondContact O-CB 3.39Å; L533-A536 PolarHBondContact O-N 2.88Å; R534-A536 VanDerWaalsContact C-N 3.35Å; A536-R569 PolarHBondContact O-NH1 3.35Å; A536-R569 VanDerWaalsContact O-NH1 3.13Å
537	L	94.5	Very high	93.2	Very high	20 Å²	20	51.5 Å²	51.5	11%	0.105	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	143.3	173.7	-60.5	175.2	0	0	0	110.7	Q503 A504 V505 W590 L591 Q594 L595	Q503-L537 PolarHBondContact O-N 2.8Å; A504-L537 CarbonylContact C-O 3.58Å; A504-L537 WeakPolarHBondContact CA-O 3.47Å; A504-L537 HydrophobicContact CB-CB 4.08Å; V505-L537 PolarHBondContact N-O 2.88Å; L537-W590 HydrophobicContact CB-CH2 4.43Å; L537-W590 HydrophobicContact CB-CZ3 4.4Å; L537-L591 HydrophobicContact CB-CD2 3.99Å; L537-L591 HydrophobicContact CD1-CD2 4.03Å; L537-Q594 HydrophobicContact CD1-CB 3.5Å; L537-Q594 VanDerWaalsContact CD1-CB 3.5Å; L537-Q594 HydrophobicContact CD2-CB 3.96Å; L537-Q594 HydrophobicContact CG-CB 4.38Å; L537-L595 HydrophobicContact CD1-CD1 4.48Å; L537-L595 HydrophobicContact CD1-CD2 3.62Å; L537-L595 HydrophobicContact CD1-CG 3.66Å
538	L	96.6	Very high	92.9	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.016	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	109.6	176.6	-178.7	73.8	0	0	0	111.1	V505 L524 L528 I540 S570 W571 H572	V505-L538 HydrophobicContact CB-CD1 4.31Å; V505-L538 HydrophobicContact CG1-CD1 4.28Å; L524-L538 HydrophobicContact CD1-CD1 4.17Å; L524-L538 HydrophobicContact CD1-CD2 4.36Å; L528-L538 HydrophobicContact CD2-CD2 4Å; L538-I540 HydrophobicContact CD1-CG1 4.46Å; L538-I540 HydrophobicContact CD2-CD1 3.92Å; L538-I540 HydrophobicContact CD2-CG1 4.04Å; L538-I540 HydrophobicContact CG-CD1 4.42Å; L538-I540 HydrophobicContact CG-CG1 3.99Å; L538-S570 PolarHBondContact N-O 2.61Å; L538-S570 VanDerWaalsContact N-O 3.13Å; L538-W571 HydrophobicContact CB-CB 3.92Å; L538-W571 HydrophobicContact CD2-CB 4.03Å; L538-W571 HydrophobicContact CG-CB 4.36Å; L538-W571 CarbonylContact O-C 3.56Å; L538-W571 WeakPolarHBondContact O-CA 2.96Å; L538-H572 PolarHBondContact O-N 3.15Å
539	L	97.4	Very high	92.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.6	165.9	177.3	63.6	0	0	0	109.1	V505 V506 Y507 F541 H572 Q574 W590 L591	V505-L539 PolarHBondContact O-N 3.41Å; V506-L539 CarbonylContact C-O 3.59Å; V506-L539 VanDerWaalsContact CA-O 3.3Å; V506-L539 WeakPolarHBondContact CA-O 3.45Å; V506-L539 HydrophobicContact CG2-CB 4.35Å; V506-L539 HydrophobicContact CG2-CD2 4.33Å; Y507-L539 PolarHBondContact N-O 2.92Å; L539-F541 HydrophobicContact CD2-CD2 4.4Å; L539-F541 HydrophobicContact CD2-CE1 4.17Å; L539-F541 HydrophobicContact CD2-CE2 3.75Å; L539-F541 HydrophobicContact CD2-CZ 3.62Å; L539-F541 HydrophobicContact CG-CE2 4.47Å; L539-F541 HydrophobicContact CG-CZ 4.46Å; L539-H572 HydrophobicContact CD1-CB 4.33Å; L539-Q574 HydrophobicContact CD1-CB 4.39Å; L539-W590 HydrophobicContact CB-CE3 4.49Å; L539-W590 HydrophobicContact CB-CZ3 4.33Å; L539-W590 HydrophobicContact CD1-CE3 4.28Å; L539-L591 HydrophobicContact CB-CD1 4.04Å; L539-L591 HydrophobicContact CB-CD2 4.17Å; L539-L591 HydrophobicContact CB-CG 4.07Å; L539-L591 HydrophobicContact CD2-CD1 3.58Å; L539-L591 HydrophobicContact CD2-CG 3.98Å; L539-L591 HydrophobicContact CG-CD1 4.45Å
540	I	97.8	Very high	92.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	121.4	174.2	-57.7	172.5	0	0	0	108.4	Y507 I509 L524 L538 L562 H572 I573 Q574	Y507-I540 CarbonylContact O-C 3.55Å; Y507-I540 VanDerWaalsContact O-CA 3.28Å; Y507-I540 WeakPolarHBondContact O-CA 3.33Å; I509-I540 HydrophobicContact CD1-CG2 3.74Å; I509-I540 HydrophobicContact CG1-CG2 4.07Å; L524-I540 HydrophobicContact CD2-CD1 4.12Å; L538-I540 HydrophobicContact CD1-CG1 4.46Å; L538-I540 HydrophobicContact CD2-CD1 3.92Å; L538-I540 HydrophobicContact CD2-CG1 4.04Å; L538-I540 HydrophobicContact CG-CD1 4.42Å; L538-I540 HydrophobicContact CG-CG1 3.99Å; I540-L562 HydrophobicContact CD1-CD1 3.79Å; I540-L562 HydrophobicContact CD1-CD2 3.84Å; I540-L562 HydrophobicContact CD1-CG 4.45Å; I540-H572 PolarHBondContact N-O 3.28Å; I540-I573 HydrophobicContact CB-CB 4.16Å; I540-I573 HydrophobicContact CB-CG1 4.05Å; I540-I573 HydrophobicContact CG2-CD1 4.1Å; I540-I573 HydrophobicContact CG2-CG1 3.98Å; I540-I573 CarbonylContact O-C 3.56Å; I540-I573 WeakPolarHBondContact O-CA 3.46Å; I540-Q574 PolarHBondContact O-N 2.86Å
541	F	98	Very high	92.8	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.009	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	112.4	169.9	-82	-52	0	0	0	109.8	I450 V506 Y507 V508 I509 L539 N543 Q574 C576 L584	I450-F541 HydrophobicContact CD1-CB 4.17Å; I450-F541 HydrophobicContact CD1-CD2 4.1Å; I450-F541 HydrophobicContact CD1-CG 4.26Å; I450-F541 HydrophobicContact CG2-CD2 4.4Å; I450-F541 HydrophobicContact CG2-CE2 4.22Å; V506-F541 HydrophobicContact CG1-CD2 3.44Å; V506-F541 VanDerWaalsContact CG1-CD2 3.44Å; V506-F541 HydrophobicContact CG1-CE2 3.76Å; Y507-F541 PolarHBondContact O-N 3.33Å; V508-F541 HydrophobicContact CG1-CB 4.32Å; V508-F541 HydrophobicContact CG2-CB 4.3Å; V508-F541 HydrophobicContact CG2-CD2 4.49Å; I509-F541 PolarHBondContact N-O 3.23Å; L539-F541 HydrophobicContact CD2-CD2 4.4Å; L539-F541 HydrophobicContact CD2-CE1 4.17Å; L539-F541 HydrophobicContact CD2-CE2 3.75Å; L539-F541 HydrophobicContact CD2-CZ 3.62Å; L539-F541 HydrophobicContact CG-CE2 4.47Å; L539-F541 HydrophobicContact CG-CZ 4.46Å; F541-N543 PolarHBondContact O-N 2.97Å; F541-Q574 WeakPolarHBondContact CA-O 3.25Å; F541-Q574 HydrophobicContact CD1-CB 4.05Å; F541-Q574 HydrophobicContact CD1-CG 4.35Å; F541-Q574 HydrophobicContact CE1-CB 4.15Å; F541-Q574 HydrophobicContact CE1-CG 4.14Å; F541-C576 HydrophobicContact CD1-CB 4.04Å; F541-C576 VanDerWaalsContact CD1-SG 3.55Å; F541-C576 HydrophobicContact CE1-CB 4.46Å; F541-L584 HydrophobicContact CD1-CD2 4.29Å; F541-L584 HydrophobicContact CE1-CD2 4Å; F541-L584 HydrophobicContact CE2-CD2 4.41Å; F541-L584 HydrophobicContact CZ-CD2 4.06Å
542	A	97.1	Very high	93	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	87.2	167	0	0	0	0	0	107.7	S511 Q545 V553 M556 I573 Q574 G575 C576	S511-A542 PolarHBondContact OG-O 3.47Å; A542-Q545 VanDerWaalsContact O-CG 3.29Å; A542-Q545 WeakPolarHBondContact O-CG 3.37Å; A542-V553 HydrophobicContact CB-CG2 4.46Å; A542-M556 HydrophobicContact CB-CE 3.76Å; A542-M556 HydrophobicContact CB-SD 3.65Å; A542-I573 HydrophobicContact CB-CD1 4.37Å; A542-I573 HydrophobicContact CB-CG1 4.4Å; A542-Q574 PolarHBondContact N-O 2.73Å; A542-G575 WeakPolarHBondContact O-CA 3.14Å; A542-C576 PolarHBondContact O-N 2.87Å
543	N	95.8	Very high	93.2	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.011	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	161.8	-171.2	-172.7	30.6	0	0	0	112.2	A445 I450 V508 I509 S511 F541 C576 A578	A445-N543 PolarHBondContact O-ND2 3.41Å; I450-N543 HydrophobicContact CD1-CB 4.3Å; V508-N543 HydrophobicContact CG1-CB 3.87Å; I509-N543 PolarHBondContact O-N 2.97Å; S511-N543 WeakPolarHBondContact CB-O 3.41Å; S511-N543 PolarHBondContact N-O 3.45Å; S511-N543 PolarHBondContact OG-N 3.2Å; S511-N543 PolarHBondContact OG-O 2.9Å; F541-N543 PolarHBondContact O-N 2.97Å; N543-C576 CarbonylContact C-O 3.46Å; N543-C576 WeakPolarHBondContact CA-O 3.4Å; N543-A578 WeakPolarHBondContact OD1-CB 3.5Å; N543-A578 PolarHBondContact OD1-N 2.85Å
544	K	93.9	Very high	93.3	Very high	55 Å²	55	48.4 Å²	48.4	24%	0.239	27%	0.27	C	S	.	.			trans	66.9	38.3	-178.4	-50.1	-176.5	-170.8	168.2	0	114.2	G444 D510 C512 D546 V547 C576	G444-K544 PolarHBondContact O-NZ 2.76Å; D510-K544 IonicContact OD1-NZ 2.69Å; D510-K544 WeakPolarHBondContact OD2-CE 3.15Å; D510-K544 IonicContact OD2-NZ 2.66Å; D510-K544 PolarHBondContact OD2-NZ 3.07Å; C512-K544 WeakPolarHBondContact SG-CB 3.4Å; K544-D546 VanDerWaalsContact C-OD1 3.25Å; K544-D546 WeakPolarHBondContact CA-OD1 3.09Å; K544-D546 PolarHBondContact O-N 2.87Å; K544-V547 HydrophobicContact CB-CG2 4.17Å; K544-V547 PolarHBondContact O-N 2.93Å; K544-C576 PolarHBondContact N-O 2.98Å
545	Q	93.4	Very high	93.6	Very high	67 Å²	67	43.9 Å²	43.9	31%	0.313	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-7	173.6	-66.3	-74.8	-43.6	0	0	113.1	S511 A542 V547 V551 C576	S511-Q545 VanDerWaalsContact CB-NE2 3.28Å; S511-Q545 PolarHBondContact OG-NE2 2.85Å; A542-Q545 VanDerWaalsContact O-CG 3.29Å; A542-Q545 WeakPolarHBondContact O-CG 3.37Å; Q545-V547 VanDerWaalsContact C-N 3.34Å; Q545-V551 PolarHBondContact NE2-O 3.38Å; Q545-C576 PolarHBondContact N-O 2.8Å
546	D	91.3	Very high	94	Very high	83 Å²	83	36.8 Å²	36.8	44%	0.444	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-20.8	172.8	65.7	-54.9	0	0	0	113.6	K544 D577	K544-D546 VanDerWaalsContact C-OD1 3.25Å; K544-D546 WeakPolarHBondContact CA-OD1 3.09Å; K544-D546 PolarHBondContact O-N 2.87Å; D546-D577 HydrophobicContact CB-CB 4.28Å
547	V	91.1	Very high	94.1	Very high	56 Å²	56	37.4 Å²	37.4	34%	0.339	22%	0.221	S	C	.	.	S	Bend	trans	-85.6	131.2	-173.1	-178.9	0	0	0	0	111.4	C512 K544 Q545 G549 A550	C512-V547 WeakPolarHBondContact SG-CB 3.26Å; K544-V547 HydrophobicContact CB-CG2 4.17Å; K544-V547 PolarHBondContact O-N 2.93Å; Q545-V547 VanDerWaalsContact C-N 3.34Å; V547-G549 PolarHBondContact O-N 3.37Å; V547-A550 VanDerWaalsContact O-CB 3.3Å; V547-A550 WeakPolarHBondContact O-CB 3.32Å; V547-A550 PolarHBondContact O-N 3.35Å; V547-A550 VanDerWaalsContact O-N 3.11Å
548	P	88.4	Confident	94.1	Very high	127 Å²	127	43.6 Å²	43.6	83%	0.825	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	126.7	174.6	-24.8	34.4	0	0	0	112.4
549	G	87.4	Confident	93.9	Very high	64 Å²	64	47.6 Å²	47.6	66%	0.66	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	90	4.1	-178	0	0	0	0	0	115.1	V547	V547-G549 PolarHBondContact O-N 3.37Å
550	A	92.5	Very high	93.6	Very high	24 Å²	24	47.6 Å²	47.6	20%	0.198	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-54.5	140.8	167.6	0	0	0	0	0	111.8	S511 V547	S511-A550 WeakPolarHBondContact O-CA 3.36Å; V547-A550 VanDerWaalsContact O-CB 3.3Å; V547-A550 WeakPolarHBondContact O-CB 3.32Å; V547-A550 PolarHBondContact O-N 3.35Å; V547-A550 VanDerWaalsContact O-N 3.11Å
551	V	94.2	Very high	93.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-69.2	130.6	174.8	-178	0	0	0	0	109.5	S511 R514 L517 Q545 E555 M556 L559	S511-V551 WeakPolarHBondContact O-CG2 3.25Å; S511-V551 PolarHBondContact O-N 2.84Å; R514-V551 HydrophobicContact CG-CG2 3.49Å; R514-V551 VanDerWaalsContact CG-CG2 3.49Å; L517-V551 HydrophobicContact CD1-CG2 4.03Å; Q545-V551 PolarHBondContact NE2-O 3.38Å; V551-E555 HydrophobicContact CG1-CB 3.82Å; V551-E555 HydrophobicContact CG1-CG 3.9Å; V551-M556 HydrophobicContact CB-CE 4.36Å; V551-M556 HydrophobicContact CG1-CB 3.93Å; V551-L559 HydrophobicContact CG1-CD1 4.09Å
552	S	94.5	Very high	93.2	Very high	41 Å²	41	50.4 Å²	50.4	29%	0.287	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-68.3	163.5	178.4	93.6	0	0	0	0	111.5	E554 E555 M556	S552-E554 VanDerWaalsContact C-N 3.27Å; S552-E554 VanDerWaalsContact CB-OE2 3.25Å; S552-E554 WeakPolarHBondContact CB-OE2 3.45Å; S552-E554 PolarHBondContact O-N 3.18Å; S552-E554 PolarHBondContact OG-N 2.99Å; S552-E554 PolarHBondContact OG-OE2 3.33Å; S552-E555 PolarHBondContact O-N 2.89Å; S552-E555 PolarHBondContact OG-N 2.79Å; S552-M556 VanDerWaalsContact O-CB 3.26Å; S552-M556 WeakPolarHBondContact O-CB 3.4Å; S552-M556 PolarHBondContact O-N 3.28Å
553	V	95	Very high	92.9	Very high	32 Å²	32	57.1 Å²	57.1	19%	0.194	32%	0.321	C	S	.	.	H	α-helix	trans	-62.3	-37.9	179.1	176	0	0	0	0	111.3	A542 T557 I573	A542-V553 HydrophobicContact CB-CG2 4.46Å; V553-T557 WeakPolarHBondContact O-CB 3.43Å; V553-T557 PolarHBondContact O-N 2.93Å; V553-T557 PolarHBondContact O-OG1 3.11Å; V553-I573 HydrophobicContact CG1-CB 4.34Å; V553-I573 HydrophobicContact CG1-CD1 4.19Å; V553-I573 HydrophobicContact CG1-CG1 3.99Å; V553-I573 HydrophobicContact CG1-CG2 3.6Å
554	E	94.4	Very high	92.8	Very high	128 Å²	128	65.7 Å²	65.7	60%	0.598	36%	0.358	S	S	*	.	H	α-helix	trans	-66.7	-51.7	177.6	-54.3	72.7	-159.2	0	0	110.7	S552 M556 T557 E558	S552-E554 VanDerWaalsContact C-N 3.27Å; S552-E554 VanDerWaalsContact CB-OE2 3.25Å; S552-E554 WeakPolarHBondContact CB-OE2 3.45Å; S552-E554 PolarHBondContact O-N 3.18Å; S552-E554 PolarHBondContact OG-N 2.99Å; S552-E554 PolarHBondContact OG-OE2 3.33Å; E554-M556 VanDerWaalsContact C-N 3.31Å; E554-M556 PolarHBondContact O-N 3.26Å; E554-T557 WeakPolarHBondContact O-CB 3.29Å; E554-T557 PolarHBondContact O-N 3.32Å; E554-T557 VanDerWaalsContact O-N 3.09Å; E554-E558 PolarHBondContact O-N 2.88Å; E554-E558 VanDerWaalsContact O-N 3.11Å
555	E	94.1	Very high	92.6	Very high	65 Å²	65	65.4 Å²	65.4	30%	0.304	36%	0.359	S	S	.	.	H	α-helix	trans	-61.7	-40.1	178.6	-171.1	-174.3	-175.6	0	0	111.3	R514 V551 S552 T557 E558 L559	R514-E555 IonicContact CZ-OE1 2.72Å; R514-E555 VanDerWaalsContact CZ-OE1 3.31Å; R514-E555 IonicContact CZ-OE2 3.35Å; R514-E555 IonicContact NH1-OE1 3.93Å; R514-E555 PolarHBondContact NH1-OE1 3.46Å; R514-E555 IonicContact NH1-OE2 2.76Å; R514-E555 VanDerWaalsContact NH2-CD 3.28Å; R514-E555 IonicContact NH2-OE1 2.63Å; R514-E555 PolarHBondContact NH2-OE1 3.09Å; R514-E555 IonicContact NH2-OE2 2.6Å; R514-E555 PolarHBondContact NH2-OE2 2.87Å; V551-E555 HydrophobicContact CG1-CB 3.82Å; V551-E555 HydrophobicContact CG1-CG 3.9Å; S552-E555 PolarHBondContact O-N 2.89Å; S552-E555 PolarHBondContact OG-N 2.79Å; E555-T557 VanDerWaalsContact C-N 3.32Å; E555-T557 PolarHBondContact O-N 3.34Å; E555-E558 PolarHBondContact O-N 3.08Å; E555-L559 HydrophobicContact CG-CD1 3.93Å; E555-L559 HydrophobicContact CG-CG 4.32Å; E555-L559 WeakPolarHBondContact O-CB 3.4Å; E555-L559 VanDerWaalsContact O-CG 3.25Å; E555-L559 WeakPolarHBondContact O-CG 3.36Å; E555-L559 PolarHBondContact O-N 3.09Å
556	M	94.4	Very high	92.5	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-64.8	-36.2	175.5	-171.3	176.6	-61.8	0	0	112.1	I509 L517 A542 V551 S552 E554 E558 L560 I573	I509-M556 HydrophobicContact CB-CE 4.45Å; I509-M556 HydrophobicContact CB-SD 3.99Å; I509-M556 HydrophobicContact CD1-SD 4.05Å; I509-M556 HydrophobicContact CG2-CE 3.89Å; I509-M556 HydrophobicContact CG2-SD 3.76Å; L517-M556 HydrophobicContact CD2-CE 4.3Å; A542-M556 HydrophobicContact CB-CE 3.76Å; A542-M556 HydrophobicContact CB-SD 3.65Å; V551-M556 HydrophobicContact CB-CE 4.36Å; V551-M556 HydrophobicContact CG1-CB 3.93Å; S552-M556 VanDerWaalsContact O-CB 3.26Å; S552-M556 WeakPolarHBondContact O-CB 3.4Å; S552-M556 PolarHBondContact O-N 3.28Å; E554-M556 VanDerWaalsContact C-N 3.31Å; E554-M556 PolarHBondContact O-N 3.26Å; M556-E558 VanDerWaalsContact C-N 3.35Å; M556-L560 HydrophobicContact CG-CD1 3.56Å; M556-L560 HydrophobicContact CG-CG 4.15Å; M556-L560 WeakPolarHBondContact O-CB 3.48Å; M556-L560 VanDerWaalsContact O-CG 3.25Å; M556-L560 WeakPolarHBondContact O-CG 3.37Å; M556-L560 PolarHBondContact O-N 3.07Å; M556-L560 HydrophobicContact SD-CD1 4.23Å; M556-I573 HydrophobicContact CB-CD1 4.35Å; M556-I573 HydrophobicContact CG-CD1 4.17Å; M556-I573 HydrophobicContact SD-CD1 4Å
557	T	94.7	Very high	92.3	Very high	17 Å²	17	63.5 Å²	63.5	10%	0.104	36%	0.359	C	S	.	.	H	α-helix	trans	-64.1	-40.2	177.2	-62.3	0	0	0	0	111.7	V553 E554 E555 S561 L562 W571	V553-T557 WeakPolarHBondContact O-CB 3.43Å; V553-T557 PolarHBondContact O-N 2.93Å; V553-T557 PolarHBondContact O-OG1 3.11Å; E554-T557 WeakPolarHBondContact O-CB 3.29Å; E554-T557 PolarHBondContact O-N 3.32Å; E554-T557 VanDerWaalsContact O-N 3.09Å; E555-T557 VanDerWaalsContact C-N 3.32Å; E555-T557 PolarHBondContact O-N 3.34Å; T557-S561 PolarHBondContact O-N 3.22Å; T557-L562 HydrophobicContact CG2-CB 4.27Å; T557-L562 HydrophobicContact CG2-CD1 4.38Å; T557-L562 PolarHBondContact O-N 2.65Å; T557-L562 VanDerWaalsContact O-N 3.08Å; T557-W571 HydrophobicContact CG2-CH2 4.04Å
558	E	93.4	Very high	92	Very high	150 Å²	150	65.1 Å²	65.1	70%	0.701	39%	0.387	S	S	*	.	H	α-helix	trans	-71	-51.2	175.7	-67.2	-177.5	177.6	0	0	111.9	E554 E555 M556 L560 S561	E554-E558 PolarHBondContact O-N 2.88Å; E554-E558 VanDerWaalsContact O-N 3.11Å; E555-E558 PolarHBondContact O-N 3.08Å; M556-E558 VanDerWaalsContact C-N 3.35Å; E558-L560 VanDerWaalsContact C-N 3.29Å; E558-L560 PolarHBondContact O-N 2.66Å; E558-S561 WeakPolarHBondContact O-CA 3.31Å; E558-S561 PolarHBondContact O-N 3.23Å; E558-S561 PolarHBondContact O-OG 2.84Å
559	L	92.3	Very high	92	Very high	86 Å²	86	61.1 Å²	61.1	45%	0.45	36%	0.356	S	S	.	.	H	α-helix	trans	-58.6	-38.2	-178.8	-73.9	173.1	0	0	0	112.9	L517 V551 E555 S561	L517-L559 HydrophobicContact CD1-CD1 3.97Å; V551-L559 HydrophobicContact CG1-CD1 4.09Å; E555-L559 HydrophobicContact CG-CD1 3.93Å; E555-L559 HydrophobicContact CG-CG 4.32Å; E555-L559 WeakPolarHBondContact O-CB 3.4Å; E555-L559 VanDerWaalsContact O-CG 3.25Å; E555-L559 WeakPolarHBondContact O-CG 3.36Å; E555-L559 PolarHBondContact O-N 3.09Å; L559-S561 VanDerWaalsContact C-N 3.34Å
560	L	93	Very high	92.2	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.005	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-0.4	176.6	-56.9	175.6	0	0	0	112.9	I509 L517 H521 M556 E558 L562	I509-L560 HydrophobicContact CD1-CD1 3.36Å; L517-L560 HydrophobicContact CB-CD2 4.42Å; H521-L560 HydrophobicContact CB-CD2 3.72Å; H521-L560 PolarHBondContact CD2-O 3.35Å; H521-L560 VanDerWaalsContact CD2-O 3.32Å; M556-L560 HydrophobicContact CG-CD1 3.56Å; M556-L560 HydrophobicContact CG-CG 4.15Å; M556-L560 WeakPolarHBondContact O-CB 3.48Å; M556-L560 VanDerWaalsContact O-CG 3.25Å; M556-L560 WeakPolarHBondContact O-CG 3.37Å; M556-L560 PolarHBondContact O-N 3.07Å; M556-L560 HydrophobicContact SD-CD1 4.23Å; E558-L560 VanDerWaalsContact C-N 3.29Å; E558-L560 PolarHBondContact O-N 2.66Å; L560-L562 HydrophobicContact CB-CD2 3.58Å; L560-L562 HydrophobicContact CB-CG 3.86Å; L560-L562 HydrophobicContact CD1-CD2 4.17Å; L560-L562 PolarHBondContact O-N 2.82Å; L560-L562 VanDerWaalsContact O-N 3.16Å
561	S	93.2	Very high	92.4	Very high	61 Å²	61	61.7 Å²	61.7	43%	0.427	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	40	-178.8	-68.7	0	0	0	0	113.7	T557 E558 L559 H563 K564 L565	T557-S561 PolarHBondContact O-N 3.22Å; E558-S561 WeakPolarHBondContact O-CA 3.31Å; E558-S561 PolarHBondContact O-N 3.23Å; E558-S561 PolarHBondContact O-OG 2.84Å; L559-S561 VanDerWaalsContact C-N 3.34Å; S561-H563 VanDerWaalsContact C-N 3.27Å; S561-H563 PolarHBondContact O-N 3.37Å; S561-H563 VanDerWaalsContact O-N 3.14Å; S561-K564 PolarHBondContact O-N 3.24Å; S561-L565 PolarHBondContact O-N 3.17Å
562	L	92.9	Very high	92.5	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-58.8	-35.5	-165.8	-62.4	179.8	0	0	0	113.4	L524 I540 T557 L560 K564 L565 C566 W571 I573	L524-L562 HydrophobicContact CD2-CD2 3.98Å; I540-L562 HydrophobicContact CD1-CD1 3.79Å; I540-L562 HydrophobicContact CD1-CD2 3.84Å; I540-L562 HydrophobicContact CD1-CG 4.45Å; T557-L562 HydrophobicContact CG2-CB 4.27Å; T557-L562 HydrophobicContact CG2-CD1 4.38Å; T557-L562 PolarHBondContact O-N 2.65Å; T557-L562 VanDerWaalsContact O-N 3.08Å; L560-L562 HydrophobicContact CB-CD2 3.58Å; L560-L562 HydrophobicContact CB-CG 3.86Å; L560-L562 HydrophobicContact CD1-CD2 4.17Å; L560-L562 PolarHBondContact O-N 2.82Å; L560-L562 VanDerWaalsContact O-N 3.16Å; L562-K564 VanDerWaalsContact C-N 3.26Å; L562-K564 PolarHBondContact O-N 3.2Å; L562-L565 PolarHBondContact O-N 3.13Å; L562-C566 VanDerWaalsContact O-CB 3.31Å; L562-C566 WeakPolarHBondContact O-CB 3.29Å; L562-C566 PolarHBondContact O-N 3.18Å; L562-W571 HydrophobicContact CB-CE3 4.45Å; L562-W571 HydrophobicContact CB-CH2 3.59Å; L562-W571 HydrophobicContact CB-CZ2 3.97Å; L562-W571 HydrophobicContact CB-CZ3 3.85Å; L562-W571 HydrophobicContact CD1-CE3 4.31Å; L562-W571 HydrophobicContact CD1-CH2 4.09Å; L562-W571 HydrophobicContact CD1-CZ3 3.61Å; L562-W571 HydrophobicContact CG-CZ3 4.38Å; L562-I573 HydrophobicContact CD1-CB 4.46Å; L562-I573 HydrophobicContact CD1-CD1 3.95Å
563	H	91.9	Very high	92.6	Very high	140 Å²	140	63 Å²	63	65%	0.648	34%	0.341	S	S	*	.	H	α-helix	trans	-58.6	-35	175.1	-70.6	-72.5	0	0	0	113.6	S561 W571	S561-H563 VanDerWaalsContact C-N 3.27Å; S561-H563 PolarHBondContact O-N 3.37Å; S561-H563 VanDerWaalsContact O-N 3.14Å; H563-W571 AromaticContact ND1-CZ2 3.87Å
564	K	92.4	Very high	92.7	Very high	182 Å²	182	63.5 Å²	63.5	79%	0.791	34%	0.342	S	S	*	.	H	α-helix	trans	-83.2	-41.7	176.4	-175.3	179.3	178.5	-178.2	0	111	S561 L562	S561-K564 PolarHBondContact O-N 3.24Å; L562-K564 VanDerWaalsContact C-N 3.26Å; L562-K564 PolarHBondContact O-N 3.2Å
565	L	90.5	Very high	92.8	Very high	49 Å²	49	58.1 Å²	58.1	26%	0.257	32%	0.321	S	S	.	.	H	α-helix	trans	-70.3	-37.9	-175.1	-169	69	0	0	0	112.8	L524 A525 L528 S561 L562	L524-L565 HydrophobicContact CD2-CD2 4.09Å; L524-L565 HydrophobicContact CG-CD2 4.08Å; A525-L565 HydrophobicContact CB-CD1 3.84Å; L528-L565 HydrophobicContact CD1-CD2 3.88Å; L528-L565 HydrophobicContact CD1-CG 3.72Å; S561-L565 PolarHBondContact O-N 3.17Å; L562-L565 PolarHBondContact O-N 3.13Å
566	C	90.1	Very high	92.9	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.02	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	21	-177.3	-54.1	0	0	0	0	112.8	L562 G568 R569 W571	L562-C566 VanDerWaalsContact O-CB 3.31Å; L562-C566 WeakPolarHBondContact O-CB 3.29Å; L562-C566 PolarHBondContact O-N 3.18Å; C566-G568 PolarHBondContact O-N 2.84Å; C566-R569 PolarHBondContact O-N 3.29Å; C566-R569 VanDerWaalsContact O-N 3.12Å; C566-W571 HydrophobicContact CB-CB 4.32Å; C566-W571 HydrophobicContact CB-CD2 4.15Å; C566-W571 HydrophobicContact CB-CG 3.68Å
567	C	88.6	Confident	92.9	Very high	107 Å²	107	56 Å²	56	72%	0.723	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	131.7	-179.8	-172.8	0	0	0	0	111.2	R569	C567-R569 VanDerWaalsContact C-N 3.3Å; C567-R569 PolarHBondContact O-N 3.24Å
568	G	83.8	Confident	92.7	Very high	91 Å²	91	55.4 Å²	55.4	94%	0.938	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	2.9	-177.6	0	0	0	0	0	115.8	C566	C566-G568 PolarHBondContact O-N 2.84Å
569	R	89.4	Confident	92.5	Very high	43 Å²	43	56.2 Å²	56.2	16%	0.162	31%	0.305	C	S	.	.	S	Bend	trans	-113.4	149.2	177.1	-171.9	-177.1	-71.5	-121.7	5.4	111.3	L528 L533 A536 C566 C567 W571	L528-R569 PolarHBondContact O-NH2 3.08Å; L533-R569 VanDerWaalsContact O-CZ 3.26Å; L533-R569 PolarHBondContact O-NH1 3.01Å; L533-R569 PolarHBondContact O-NH2 3.38Å; A536-R569 PolarHBondContact O-NH1 3.35Å; A536-R569 VanDerWaalsContact O-NH1 3.13Å; C566-R569 PolarHBondContact O-N 3.29Å; C566-R569 VanDerWaalsContact O-N 3.12Å; C567-R569 VanDerWaalsContact C-N 3.3Å; C567-R569 PolarHBondContact O-N 3.24Å; R569-W571 PolarHBondContact O-N 2.85Å
570	S	91.4	Very high	92.3	Very high	46 Å²	46	55.1 Å²	55.1	32%	0.322	31%	0.305	S	S	.	.			trans	-77.9	115.4	167.3	-174	0	0	0	0	110.1	L538	L538-S570 PolarHBondContact N-O 2.61Å; L538-S570 VanDerWaalsContact N-O 3.13Å
571	W	95.3	Very high	92.2	Very high	53 Å²	53	55.5 Å²	55.5	20%	0.201	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	157.9	179.7	70.5	-83	0	0	0	112.3	L538 T557 L562 H563 C566 R569 I573 W590	L538-W571 HydrophobicContact CB-CB 3.92Å; L538-W571 HydrophobicContact CD2-CB 4.03Å; L538-W571 HydrophobicContact CG-CB 4.36Å; L538-W571 CarbonylContact O-C 3.56Å; L538-W571 WeakPolarHBondContact O-CA 2.96Å; T557-W571 HydrophobicContact CG2-CH2 4.04Å; L562-W571 HydrophobicContact CB-CE3 4.45Å; L562-W571 HydrophobicContact CB-CH2 3.59Å; L562-W571 HydrophobicContact CB-CZ2 3.97Å; L562-W571 HydrophobicContact CB-CZ3 3.85Å; L562-W571 HydrophobicContact CD1-CE3 4.31Å; L562-W571 HydrophobicContact CD1-CH2 4.09Å; L562-W571 HydrophobicContact CD1-CZ3 3.61Å; L562-W571 HydrophobicContact CG-CZ3 4.38Å; H563-W571 AromaticContact ND1-CZ2 3.87Å; C566-W571 HydrophobicContact CB-CB 4.32Å; C566-W571 HydrophobicContact CB-CD2 4.15Å; C566-W571 HydrophobicContact CB-CG 3.68Å; R569-W571 PolarHBondContact O-N 2.85Å; W571-I573 HydrophobicContact CZ3-CB 4.12Å; W571-I573 HydrophobicContact CZ3-CG2 3.8Å; W571-W590 WeakPolarHBondContact O-CZ2 3.29Å
572	H	96.6	Very high	92.2	Very high	52 Å²	52	58.7 Å²	58.7	24%	0.241	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	148.2	171.1	179.7	65.2	0	0	0	110.2	L538 L539 I540 Q574 W590	L538-H572 PolarHBondContact O-N 3.15Å; L539-H572 HydrophobicContact CD1-CB 4.33Å; I540-H572 PolarHBondContact N-O 3.28Å; H572-Q574 PolarHBondContact NE2-OE1 2.85Å; H572-W590 HydrophobicContact CB-CD2 3.34Å; H572-W590 HydrophobicContact CB-CE3 3.74Å; H572-W590 HydrophobicContact CB-CG 3.7Å; H572-W590 HydrophobicContact CB-CH2 4.09Å; H572-W590 HydrophobicContact CB-CZ2 3.71Å; H572-W590 HydrophobicContact CB-CZ3 4.09Å; H572-W590 AromaticContact CD2-CG 3.94Å; H572-W590 AromaticContact CG-CD1 3.81Å; H572-W590 AromaticContact CG-CD2 3.99Å; H572-W590 AromaticContact CG-CG 3.79Å
573	I	97.1	Very high	92.1	Very high	16 Å²	16	58.9 Å²	58.9	8%	0.082	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.6	172.1	-175.3	171.3	0	0	0	109.2	I540 A542 V553 M556 L562 W571	I540-I573 HydrophobicContact CB-CB 4.16Å; I540-I573 HydrophobicContact CB-CG1 4.05Å; I540-I573 HydrophobicContact CG2-CD1 4.1Å; I540-I573 HydrophobicContact CG2-CG1 3.98Å; I540-I573 CarbonylContact O-C 3.56Å; I540-I573 WeakPolarHBondContact O-CA 3.46Å; A542-I573 HydrophobicContact CB-CD1 4.37Å; A542-I573 HydrophobicContact CB-CG1 4.4Å; V553-I573 HydrophobicContact CG1-CB 4.34Å; V553-I573 HydrophobicContact CG1-CD1 4.19Å; V553-I573 HydrophobicContact CG1-CG1 3.99Å; V553-I573 HydrophobicContact CG1-CG2 3.6Å; M556-I573 HydrophobicContact CB-CD1 4.35Å; M556-I573 HydrophobicContact CG-CD1 4.17Å; M556-I573 HydrophobicContact SD-CD1 4Å; L562-I573 HydrophobicContact CD1-CB 4.46Å; L562-I573 HydrophobicContact CD1-CD1 3.95Å; W571-I573 HydrophobicContact CZ3-CB 4.12Å; W571-I573 HydrophobicContact CZ3-CG2 3.8Å
574	Q	97.4	Very high	92.2	Very high	43 Å²	43	52.3 Å²	52.3	20%	0.201	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	120.7	-177.1	-175.2	55.1	55.5	0	0	109.6	L539 I540 F541 A542 H572 G583 E586	L539-Q574 HydrophobicContact CD1-CB 4.39Å; I540-Q574 PolarHBondContact O-N 2.86Å; F541-Q574 WeakPolarHBondContact CA-O 3.25Å; F541-Q574 HydrophobicContact CD1-CB 4.05Å; F541-Q574 HydrophobicContact CD1-CG 4.35Å; F541-Q574 HydrophobicContact CE1-CB 4.15Å; F541-Q574 HydrophobicContact CE1-CG 4.14Å; A542-Q574 PolarHBondContact N-O 2.73Å; H572-Q574 PolarHBondContact NE2-OE1 2.85Å; Q574-G583 WeakPolarHBondContact CG-O 3.44Å; Q574-E586 HydrophobicContact CG-CB 4.46Å
575	G	96.6	Very high	92.2	Very high	16 Å²	16	47.9 Å²	47.9	17%	0.165	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	131.9	167.3	0	0	0	0	0	109.6	A542	A542-G575 WeakPolarHBondContact O-CA 3.14Å
576	C	96.1	Very high	92.3	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.02	28%	0.281	C	S	.	.			trans	-147.8	166	-179.7	68.8	0	0	0	0	113.7	F541 A542 N543 K544 Q545 M582 L584	F541-C576 HydrophobicContact CD1-CB 4.04Å; F541-C576 VanDerWaalsContact CD1-SG 3.55Å; F541-C576 HydrophobicContact CE1-CB 4.46Å; A542-C576 PolarHBondContact O-N 2.87Å; N543-C576 CarbonylContact C-O 3.46Å; N543-C576 WeakPolarHBondContact CA-O 3.4Å; K544-C576 PolarHBondContact N-O 2.98Å; Q545-C576 PolarHBondContact N-O 2.8Å; C576-M582 CarbonylContact C-O 3.57Å; C576-M582 WeakPolarHBondContact CA-O 3.45Å; C576-M582 VanDerWaalsContact CB-O 3.24Å; C576-M582 WeakPolarHBondContact CB-O 3.39Å; C576-L584 HydrophobicContact CB-CD2 3.66Å; C576-L584 HydrophobicContact CB-CG 4.39Å
577	D	94.1	Very high	92.5	Very high	18 Å²	18	49.7 Å²	49.7	10%	0.096	28%	0.28	C	S	.	.			trans	-129.8	114.9	166.4	163.8	32.1	0	0	0	109.5	D546 R579 S580 G581 M582	D546-D577 HydrophobicContact CB-CB 4.28Å; D577-R579 PolarHBondContact O-N 3.38Å; D577-R579 VanDerWaalsContact OD1-CB 3.25Å; D577-R579 WeakPolarHBondContact OD1-CB 3.2Å; D577-R579 PolarHBondContact OD1-N 2.85Å; D577-S580 WeakPolarHBondContact OD2-CB 3.27Å; D577-S580 PolarHBondContact OD2-N 2.98Å; D577-S580 PolarHBondContact OD2-OG 2.89Å; D577-G581 WeakPolarHBondContact O-CA 3.4Å; D577-G581 PolarHBondContact O-N 3.46Å; D577-M582 PolarHBondContact N-O 3.17Å
578	A	91.2	Very high	92.7	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.033	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-15.5	177.3	0	0	0	0	0	114.8	T449 I450 N543	T449-A578 HydrophobicContact CG2-CB 3.8Å; I450-A578 HydrophobicContact CG1-CB 3.53Å; N543-A578 WeakPolarHBondContact OD1-CB 3.5Å; N543-A578 PolarHBondContact OD1-N 2.85Å
579	R	88.6	Confident	93.1	Very high	167 Å²	167	42.7 Å²	42.7	63%	0.63	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-50.9	179.8	-171.9	-179.4	-178.2	-172.8	-0.4	112.1	K453 F459 D577	K453-R579 WeakPolarHBondContact CE-O 3.32Å; F459-R579 HydrophobicContact CD2-CB 4.08Å; F459-R579 HydrophobicContact CD2-CG 3.85Å; F459-R579 HydrophobicContact CE2-CB 4.14Å; F459-R579 HydrophobicContact CE2-CG 3.99Å; F459-R579 HydrophobicContact CG-CG 4.26Å; D577-R579 PolarHBondContact O-N 3.38Å; D577-R579 VanDerWaalsContact OD1-CB 3.25Å; D577-R579 WeakPolarHBondContact OD1-CB 3.2Å; D577-R579 PolarHBondContact OD1-N 2.85Å
580	S	89	Confident	93.3	Very high	62 Å²	62	41.8 Å²	41.8	43%	0.434	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-31.2	174.5	59.6	0	0	0	0	113	K453 D577 M582	K453-S580 WeakPolarHBondContact CE-O 3.49Å; K453-S580 PolarHBondContact NZ-O 2.91Å; D577-S580 WeakPolarHBondContact OD2-CB 3.27Å; D577-S580 PolarHBondContact OD2-N 2.98Å; D577-S580 PolarHBondContact OD2-OG 2.89Å; S580-M582 WeakPolarHBondContact OG-CB 3.4Å; S580-M582 WeakPolarHBondContact OG-CG 3.4Å; S580-M582 PolarHBondContact OG-N 3.3Å
581	G	89.6	Confident	93.3	Very high	10 Å²	10	39.6 Å²	39.6	10%	0.103	20%	0.195	C	C	.	.			trans	93.2	-4.7	-170.9	0	0	0	0	0	114.1	D577 G583 L584	D577-G581 WeakPolarHBondContact O-CA 3.4Å; D577-G581 PolarHBondContact O-N 3.46Å; G581-G583 PolarHBondContact O-N 3.32Å; G581-L584 WeakPolarHBondContact O-CB 3.44Å; G581-L584 WeakPolarHBondContact O-CG 3.49Å; G581-L584 PolarHBondContact O-N 3.3Å
582	M	92.9	Very high	93	Very high	127 Å²	127	37.2 Å²	37.2	63%	0.626	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	134.2	178.5	-72.5	-67.7	-63.7	0	0	111.5	C576 D577 S580 L584	C576-M582 CarbonylContact C-O 3.57Å; C576-M582 WeakPolarHBondContact CA-O 3.45Å; C576-M582 VanDerWaalsContact CB-O 3.24Å; C576-M582 WeakPolarHBondContact CB-O 3.39Å; D577-M582 PolarHBondContact N-O 3.17Å; S580-M582 WeakPolarHBondContact OG-CB 3.4Å; S580-M582 WeakPolarHBondContact OG-CG 3.4Å; S580-M582 PolarHBondContact OG-N 3.3Å; M582-L584 PolarHBondContact O-N 3.37Å
583	G	92	Very high	92.6	Very high	5 Å²	5	41.9 Å²	41.9	5%	0.052	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	-11.9	178.1	0	0	0	0	0	115.4	Q574 G581 E586 G587	Q574-G583 WeakPolarHBondContact CG-O 3.44Å; G581-G583 PolarHBondContact O-N 3.32Å; G583-E586 WeakPolarHBondContact CA-OE2 3.35Å; G583-E586 PolarHBondContact N-OE2 3.11Å; G583-G587 PolarHBondContact O-N 2.93Å
584	L	93.6	Very high	92.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-73.2	-43.4	-177.2	-61.2	-175.4	0	0	0	112.2	I450 K453 L454 F541 C576 G581 M582 G587 L588	I450-L584 HydrophobicContact CB-CD2 4.46Å; I450-L584 HydrophobicContact CD1-CD2 4.09Å; I450-L584 HydrophobicContact CG1-CD2 3.97Å; I450-L584 HydrophobicContact CG2-CD1 4.26Å; I450-L584 HydrophobicContact CG2-CD2 3.84Å; K453-L584 HydrophobicContact CB-CD1 4.15Å; K453-L584 HydrophobicContact CG-CD1 3.85Å; L454-L584 HydrophobicContact CD2-CB 3.86Å; L454-L584 HydrophobicContact CD2-CD1 4.4Å; L454-L584 HydrophobicContact CG-CB 4.49Å; L454-L584 HydrophobicContact CG-CD1 4.33Å; F541-L584 HydrophobicContact CD1-CD2 4.29Å; F541-L584 HydrophobicContact CE1-CD2 4Å; F541-L584 HydrophobicContact CE2-CD2 4.41Å; F541-L584 HydrophobicContact CZ-CD2 4.06Å; C576-L584 HydrophobicContact CB-CD2 3.66Å; C576-L584 HydrophobicContact CB-CG 4.39Å; G581-L584 WeakPolarHBondContact O-CB 3.44Å; G581-L584 WeakPolarHBondContact O-CG 3.49Å; G581-L584 PolarHBondContact O-N 3.3Å; M582-L584 PolarHBondContact O-N 3.37Å; L584-G587 PolarHBondContact O-N 2.93Å; L584-L588 PolarHBondContact O-N 3.28Å; L584-L588 VanDerWaalsContact O-N 3.15Å
585	H	91.9	Very high	91.6	Very high	90 Å²	90	42.5 Å²	42.5	42%	0.417	21%	0.205	S	C	.	.	H	α-helix	trans	-67.9	-36.5	179.7	-67.9	-63.1	0	0	0	111.6	Y475 G587 L588 D589	Y475-H585 HydrophobicContact CE2-CB 4.45Å; Y475-H585 AromaticContact CE2-ND1 3.58Å; Y475-H585 PolarHBondContact OH-O 2.99Å; H585-G587 VanDerWaalsContact C-N 3.3Å; H585-G587 PolarHBondContact O-N 3.22Å; H585-L588 CarbonylContact O-C 3.57Å; H585-L588 PolarHBondContact O-N 3.25Å; H585-D589 WeakPolarHBondContact O-CB 3.05Å; H585-D589 PolarHBondContact O-N 3.36Å
586	E	93.9	Very high	90.9	Very high	90 Å²	90	42.1 Å²	42.1	42%	0.421	20%	0.199	S	C	.	.	H	α-helix	trans	-62.5	-36.9	177	-63.2	90.3	148.5	0	0	112	Q574 G583 D589 W590	Q574-E586 HydrophobicContact CG-CB 4.46Å; G583-E586 WeakPolarHBondContact CA-OE2 3.35Å; G583-E586 PolarHBondContact N-OE2 3.11Å; E586-D589 PolarHBondContact O-N 3.27Å; E586-W590 PolarHBondContact O-N 3Å
587	G	93.8	Very high	89.8	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.1	-45.5	172.3	0	0	0	0	0	112.8	G583 L584 H585 D589 W590 L591	G583-G587 PolarHBondContact O-N 2.93Å; L584-G587 PolarHBondContact O-N 2.93Å; H585-G587 VanDerWaalsContact C-N 3.3Å; H585-G587 PolarHBondContact O-N 3.22Å; G587-D589 VanDerWaalsContact C-N 3.27Å; G587-D589 PolarHBondContact O-N 3.45Å; G587-W590 PolarHBondContact O-N 3.47Å; G587-L591 PolarHBondContact O-N 2.92Å
588	L	92.1	Very high	88.1	Confident	6 Å²	6	47.1 Å²	47.1	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-33.5	172.6	-69.7	-175.1	0	0	0	112.3	L454 Y475 F480 L584 H585 W590 L591 S592	L454-L588 HydrophobicContact CD1-CD1 4.09Å; L454-L588 HydrophobicContact CD1-CD2 4.49Å; L454-L588 HydrophobicContact CD1-CG 4.44Å; L454-L588 HydrophobicContact CD2-CD1 3.54Å; L454-L588 HydrophobicContact CD2-CG 4.33Å; L454-L588 HydrophobicContact CG-CD1 4.4Å; Y475-L588 HydrophobicContact CD1-CB 4.03Å; Y475-L588 HydrophobicContact CD2-CD1 4.07Å; Y475-L588 HydrophobicContact CE1-CB 3.93Å; Y475-L588 HydrophobicContact CG-CB 4.37Å; Y475-L588 HydrophobicContact CG-CD1 4.08Å; F480-L588 HydrophobicContact CD2-CD2 4.47Å; F480-L588 HydrophobicContact CE2-CD2 4.23Å; L584-L588 PolarHBondContact O-N 3.28Å; L584-L588 VanDerWaalsContact O-N 3.15Å; H585-L588 CarbonylContact O-C 3.57Å; H585-L588 PolarHBondContact O-N 3.25Å; L588-W590 VanDerWaalsContact C-N 3.35Å; L588-L591 HydrophobicContact CD2-CD1 4.33Å; L588-L591 PolarHBondContact O-N 3.22Å; L588-S592 WeakPolarHBondContact O-CB 3.43Å; L588-S592 PolarHBondContact O-N 2.91Å
589	D	92.1	Very high	86.3	Confident	45 Å²	45	50.2 Å²	50.2	24%	0.241	28%	0.275	C	S	.	.	H	α-helix	trans	-68.6	-34.2	176.8	-118.1	-21.5	0	0	0	112.2	Y475 K476 H585 E586 G587 R593	Y475-D589 VanDerWaalsContact OH-CG 3.25Å; Y475-D589 PolarHBondContact OH-OD1 3.44Å; Y475-D589 PolarHBondContact OH-OD2 2.65Å; K476-D589 WeakPolarHBondContact CE-OD1 3.3Å; K476-D589 IonicContact NZ-OD1 2.79Å; K476-D589 PolarHBondContact NZ-OD1 2.71Å; K476-D589 IonicContact NZ-OD2 2.64Å; H585-D589 WeakPolarHBondContact O-CB 3.05Å; H585-D589 PolarHBondContact O-N 3.36Å; E586-D589 PolarHBondContact O-N 3.27Å; G587-D589 VanDerWaalsContact C-N 3.27Å; G587-D589 PolarHBondContact O-N 3.45Å; D589-R593 WeakPolarHBondContact O-CB 3.36Å; D589-R593 VanDerWaalsContact O-CG 3.26Å; D589-R593 WeakPolarHBondContact O-CG 3.41Å; D589-R593 PolarHBondContact O-N 2.93Å; D589-R593 PolarHBondContact O-NE 3.33Å
590	W	93.1	Very high	84.5	Confident	23 Å²	23	44 Å²	44	9%	0.087	26%	0.255	C	S	.	.	H	α-helix	trans	-65.3	-50	167.8	-179.8	90.9	0	0	0	111.1	L537 L539 W571 H572 E586 G587 L588 S592 R593 Q594	L537-W590 HydrophobicContact CB-CH2 4.43Å; L537-W590 HydrophobicContact CB-CZ3 4.4Å; L539-W590 HydrophobicContact CB-CE3 4.49Å; L539-W590 HydrophobicContact CB-CZ3 4.33Å; L539-W590 HydrophobicContact CD1-CE3 4.28Å; W571-W590 WeakPolarHBondContact O-CZ2 3.29Å; H572-W590 HydrophobicContact CB-CD2 3.34Å; H572-W590 HydrophobicContact CB-CE3 3.74Å; H572-W590 HydrophobicContact CB-CG 3.7Å; H572-W590 HydrophobicContact CB-CH2 4.09Å; H572-W590 HydrophobicContact CB-CZ2 3.71Å; H572-W590 HydrophobicContact CB-CZ3 4.09Å; H572-W590 AromaticContact CD2-CG 3.94Å; H572-W590 AromaticContact CG-CD1 3.81Å; H572-W590 AromaticContact CG-CD2 3.99Å; H572-W590 AromaticContact CG-CG 3.79Å; E586-W590 PolarHBondContact O-N 3Å; G587-W590 PolarHBondContact O-N 3.47Å; L588-W590 VanDerWaalsContact C-N 3.35Å; W590-S592 PolarHBondContact O-N 3.46Å; W590-R593 CarbonylContact O-C 3.48Å; W590-R593 PolarHBondContact O-N 3.43Å; W590-Q594 HydrophobicContact CD2-CG 3.84Å; W590-Q594 VanDerWaalsContact CE2-CG 3.48Å; W590-Q594 HydrophobicContact CE3-CG 4.25Å; W590-Q594 HydrophobicContact CG-CG 4.46Å; W590-Q594 HydrophobicContact CH2-CG 4.02Å; W590-Q594 HydrophobicContact CZ2-CG 3.59Å; W590-Q594 HydrophobicContact CZ3-CG 4.33Å; W590-Q594 WeakPolarHBondContact O-CG 3.2Å; W590-Q594 PolarHBondContact O-N 3.38Å
591	L	91.8	Very high	82.5	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-57	-47.4	178.4	-79.8	174.2	0	0	0	112.2	A504 V506 L537 L539 G587 L588 R593 Q594 L595	A504-L591 HydrophobicContact CB-CD2 3.73Å; V506-L591 HydrophobicContact CG2-CD1 4.2Å; L537-L591 HydrophobicContact CB-CD2 3.99Å; L537-L591 HydrophobicContact CD1-CD2 4.03Å; L539-L591 HydrophobicContact CB-CD1 4.04Å; L539-L591 HydrophobicContact CB-CD2 4.17Å; L539-L591 HydrophobicContact CB-CG 4.07Å; L539-L591 HydrophobicContact CD2-CD1 3.58Å; L539-L591 HydrophobicContact CD2-CG 3.98Å; L539-L591 HydrophobicContact CG-CD1 4.45Å; G587-L591 PolarHBondContact O-N 2.92Å; L588-L591 HydrophobicContact CD2-CD1 4.33Å; L588-L591 PolarHBondContact O-N 3.22Å; L591-R593 PolarHBondContact O-N 3.03Å; L591-Q594 PolarHBondContact O-N 3.13Å; L591-L595 WeakPolarHBondContact O-CD1 3.32Å; L591-L595 VanDerWaalsContact O-CG 3.31Å; L591-L595 WeakPolarHBondContact O-CG 3.4Å; L591-L595 PolarHBondContact O-N 2.89Å
592	S	89	Confident	80.2	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.014	29%	0.294	C	S	.	.	H	α-helix	trans	-56.8	-47.8	177.4	178.2	0	0	0	0	111.7	L588 W590 Q594 L595 V596	L588-S592 WeakPolarHBondContact O-CB 3.43Å; L588-S592 PolarHBondContact O-N 2.91Å; W590-S592 PolarHBondContact O-N 3.46Å; S592-Q594 PolarHBondContact O-N 2.97Å; S592-L595 PolarHBondContact O-N 2.71Å; S592-V596 PolarHBondContact O-N 2.94Å
593	R	88.1	Confident	77.5	Confident	151 Å²	151	52.6 Å²	52.6	57%	0.57	30%	0.301	S	S	*	.	H	α-helix	trans	-68.2	-11.4	174.9	-73.2	179.2	-65.9	163.1	-1.7	114.7	K423 D589 W590 L591	K423-R593 WeakPolarHBondContact CE-O 3.37Å; K423-R593 PolarHBondContact NZ-O 2.82Å; D589-R593 WeakPolarHBondContact O-CB 3.36Å; D589-R593 VanDerWaalsContact O-CG 3.26Å; D589-R593 WeakPolarHBondContact O-CG 3.41Å; D589-R593 PolarHBondContact O-N 2.93Å; D589-R593 PolarHBondContact O-NE 3.33Å; W590-R593 CarbonylContact O-C 3.48Å; W590-R593 PolarHBondContact O-N 3.43Å; L591-R593 PolarHBondContact O-N 3.03Å
594	Q	88.4	Confident	74.6	Confident	51 Å²	51	60.7 Å²	60.7	24%	0.238	37%	0.367	C	S	.	.	H	α-helix	trans	-96.8	-26.3	172.9	-67	-56.8	-14.1	0	0	113.2	K423 L537 W590 L591 S592	K423-Q594 WeakPolarHBondContact CD-O 3.38Å; K423-Q594 WeakPolarHBondContact CE-O 3.42Å; K423-Q594 WeakPolarHBondContact CG-O 3.28Å; L537-Q594 HydrophobicContact CD1-CB 3.5Å; L537-Q594 VanDerWaalsContact CD1-CB 3.5Å; L537-Q594 HydrophobicContact CD2-CB 3.96Å; L537-Q594 HydrophobicContact CG-CB 4.38Å; W590-Q594 HydrophobicContact CD2-CG 3.84Å; W590-Q594 VanDerWaalsContact CE2-CG 3.48Å; W590-Q594 HydrophobicContact CE3-CG 4.25Å; W590-Q594 HydrophobicContact CG-CG 4.46Å; W590-Q594 HydrophobicContact CH2-CG 4.02Å; W590-Q594 HydrophobicContact CZ2-CG 3.59Å; W590-Q594 HydrophobicContact CZ3-CG 4.33Å; W590-Q594 WeakPolarHBondContact O-CG 3.2Å; W590-Q594 PolarHBondContact O-N 3.38Å; L591-Q594 PolarHBondContact O-N 3.13Å; S592-Q594 PolarHBondContact O-N 2.97Å
595	L	85.2	Confident	73.6	Confident	21 Å²	21	63.7 Å²	63.7	11%	0.11	39%	0.385	C	S	.	.	H	α-helix	trans	-85.9	-40.3	179.8	-67.4	162	0	0	0	112.2	T422 K423 M433 I435 L478 F480 Q503 L537 L591 S592	T422-L595 VanDerWaalsContact CA-O 3.29Å; T422-L595 WeakPolarHBondContact CA-O 3.46Å; K423-L595 PolarHBondContact N-O 3.48Å; M433-L595 HydrophobicContact CE-CB 4.45Å; I435-L595 HydrophobicContact CD1-CD1 4.21Å; I435-L595 HydrophobicContact CD1-CD2 4.21Å; I435-L595 HydrophobicContact CG1-CD1 4.07Å; I435-L595 HydrophobicContact CG2-CD1 3.79Å; L478-L595 HydrophobicContact CD1-CD1 4.44Å; F480-L595 HydrophobicContact CE1-CD1 3.84Å; F480-L595 HydrophobicContact CZ-CD1 4.38Å; Q503-L595 HydrophobicContact CB-CD2 4.21Å; L537-L595 HydrophobicContact CD1-CD1 4.48Å; L537-L595 HydrophobicContact CD1-CD2 3.62Å; L537-L595 HydrophobicContact CD1-CG 3.66Å; L591-L595 WeakPolarHBondContact O-CD1 3.32Å; L591-L595 VanDerWaalsContact O-CG 3.31Å; L591-L595 WeakPolarHBondContact O-CG 3.4Å; L591-L595 PolarHBondContact O-N 2.89Å; S592-L595 PolarHBondContact O-N 2.71Å
596	V	82.3	Confident	72.7	Confident	7 Å²	7	62.3 Å²	62.3	4%	0.042	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-94.2	141.9	-176.4	-171.7	0	0	0	0	111.2	T420 M433 L478 S592	T420-V596 HydrophobicContact CG2-CG1 3.94Å; T420-V596 HydrophobicContact CG2-CG2 4.44Å; M433-V596 HydrophobicContact CE-CG2 3.76Å; L478-V596 HydrophobicContact CD1-CG2 4.36Å; L478-V596 HydrophobicContact CD2-CG2 3.84Å; S592-V596 PolarHBondContact O-N 2.94Å
597	A	74.2	Confident	71.5	Confident	22 Å²	22	60.7 Å²	60.7	18%	0.182	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-66.5	138.7	170.6	0	0	0	0	0	111.4	F421 G599 V600	F421-A597 HydrophobicContact CB-CB 4.01Å; F421-A597 PolarHBondContact O-N 3.42Å; A597-G599 PolarHBondContact O-N 3.14Å; A597-V600 HydrophobicContact CB-CG2 4.27Å
598	A	57.2	Low	70.2	Confident	105 Å²	105	64.3 Å²	64.3	87%	0.868	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	131.1	-177.8	0	0	0	0	0	111.6
599	G	53.1	Low	68.8	Low	68 Å²	68	67.9 Å²	67.9	70%	0.701	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.4	-1.7	175.2	0	0	0	0	0	116.3	A597	A597-G599 PolarHBondContact O-N 3.14Å
600	V	51	Low	67.2	Low	36 Å²	36	69.5 Å²	69.5	22%	0.218	44%	0.44	C	S	.	.			trans	-89.7	-16	-178	-173.3	0	0	0	0	113.2	F421 A597 D602	F421-V600 HydrophobicContact CB-CG2 4.25Å; F421-V600 HydrophobicContact CD2-CG1 4.05Å; F421-V600 HydrophobicContact CD2-CG2 3.92Å; A597-V600 HydrophobicContact CB-CG2 4.27Å; V600-D602 VanDerWaalsContact C-N 3.28Å; V600-D602 PolarHBondContact O-N 3.38Å
601	L	48.4	Very low	65.4	Low	92 Å²	92	72.8 Å²	72.8	48%	0.482	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-13	-173.2	-77.4	164.6	0	0	0	115.6	N477	N477-L601 WeakPolarHBondContact OD1-CD2 3.42Å
602	D	39.5	Very low	63.4	Low	160 Å²	160	78.3 Å²	78.3	86%	0.856	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	18.5	-174.5	-72.3	-36.6	0	0	0	113.5	V600	V600-D602 VanDerWaalsContact C-N 3.28Å; V600-D602 PolarHBondContact O-N 3.38Å
603	V	37.9	Very low	61.2	Low	129 Å²	129	84.7 Å²	84.7	78%	0.782	54%	0.541	S	S	*	.			trans	-113.7	71.5	176.5	-165.6	0	0	0	0	110.3
604	A	29.6	Very low	58.8	Low	174 Å²	174	78.6 Å²	78.6	100%	1.438	54%	0.538	S	S	*	.			trans	-126.2	0	167.7	0	0	0	0	0	109

Retrieved 604 of 604 residues in 345.2 ms (Link to these results)

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