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RAF proto-oncogene serine/threonine-protein kinase

Serine/threonine-protein kinase that acts as a regulatory link between the membrane-associated Ras GTPases and the MAPK/ERK cascade, and this critical regulatory link functions as a switch determining cell fate decisions including proliferation, differentiation, apoptosis, survival and oncogenic transformation. RAF1 activation initiates a mitogen-activated protein kinase (MAPK) cascade that comprises a sequential phosphorylation of the dual-specific MAPK kinases (MAP2K1/MEK1 and MAP2K2/MEK2) and the extracellular signal-regulated kinases (MAPK3/ERK1 and MAPK1/ERK2). The phosphorylated form of RAF1 (on residues Ser-338 and Ser-339, by PAK1) phosphorylates BAD/Bcl2-antagonist of cell death at 'Ser-75'. Phosphorylates adenylyl cyclases: ADCY2, ADCY5 and ADCY6, resulting in their activation. Phosphorylates PPP1R12A resulting in inhibition of the phosphatase activity. Phosphorylates TNNT2/cardiac muscle troponin T. Can promote NF-kB activation and inhibit signal transducers involved in motility (ROCK2), apoptosis (MAP3K5/ASK1 and STK3/MST2), proliferation and angiogenesis (RB1). Can protect cells from apoptosis also by translocating to the mitochondria where it binds BCL2 and displaces BAD/Bcl2-antagonist of cell death. Plays a role in the oncogenic transformation of epithelial cells via repression of the TJ protein, occludin (OCLN) by inducing the up-regulation of a transcriptional repressor SNAI2/SLUG, which induces down-regulation of OCLN. Restricts caspase activation in response to selected stimuli, notably Fas stimulation, pathogen-mediated macrophage apoptosis, and erythroid differentiation (By similarity). Regulates Rho signaling and migration, and is required for normal wound healing.

AlphaFold DB , UniProt , Accession Q99N57, Species MOUSE (Mus musculus, Mouse), Gene Raf1, Length 648 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	28.2	Very low	30.1	Very low	244 Å²	244	167.3 Å²	167.3	100%	1.202	86%	0.858	S	S	*	*				0	110	0	-74.9	-164.5	-114.4	0	0	107.5
2	E	31.1	Very low	30.3	Very low	173 Å²	173	162.8 Å²	162.8	81%	0.808	85%	0.853	S	S	*	*			trans	53.6	105.9	158	-58	-169.9	153.1	0	0	122.4
3	H	33.8	Very low	30.4	Very low	172 Å²	172	163.1 Å²	163.1	80%	0.796	86%	0.856	S	S	*	*				76.6	129.8	128.1	-84	-83.6	0	0	0	116.8
4	I	34	Very low	30.4	Very low	153 Å²	153	155.6 Å²	155.6	79%	0.785	84%	0.838	S	S	*	*			cis	-156.9	136.2	38.7	-67.8	-179.2	0	0	0	109.3
5	Q	28.4	Very low	30.6	Very low	196 Å²	196	160.3 Å²	160.3	92%	0.916	85%	0.848	S	S	*	*			trans	-84.4	142.6	163	-79.7	174.8	-19.1	0	0	110.3
6	G	32.8	Very low	30.7	Very low	77 Å²	77	154.4 Å²	154.4	79%	0.794	84%	0.837	S	S	*	*			trans	-130.5	105.6	167.3	0	0	0	0	0	110.7
7	A	26.2	Very low	30.9	Very low	93 Å²	93	154.2 Å²	154.2	77%	0.769	84%	0.835	S	S	*	*			trans	-99.6	145.4	176.9	0	0	0	0	0	110.8
8	W	29.6	Very low	31.2	Very low	260 Å²	260	155.2 Å²	155.2	99%	0.985	83%	0.83	S	S	*	*			trans	-138	114.4	162.8	-72	70.5	0	0	0	110.3
9	K	28	Very low	31.3	Very low	200 Å²	200	154.6 Å²	154.6	87%	0.87	83%	0.827	S	S	*	*			trans	-133.3	155.6	160.9	-88.7	-172.7	175.7	-179.5	0	106.8
10	T	31.4	Very low	31.5	Very low	123 Å²	123	151.4 Å²	151.4	76%	0.755	82%	0.823	S	S	*	*			trans	140.3	101.8	155.3	-55.8	0	0	0	0	108.5
11	I	27.2	Very low	31.5	Very low	149 Å²	149	150.2 Å²	150.2	76%	0.764	82%	0.82	S	S	*	*				67.5	118.7	83.4	-58	161.7	0	0	0	113.6
12	S	33.3	Very low	31.8	Very low	114 Å²	114	148.6 Å²	148.6	80%	0.797	81%	0.807	S	S	*	*				173	140.9	121.8	48.6	0	0	0	0	114.6
13	N	30.9	Very low	31.9	Very low	166 Å²	166	147.3 Å²	147.3	89%	0.888	81%	0.805	S	S	*	*			trans	-58.9	172.5	175.9	-54.6	-37.2	0	0	0	113.3
14	G	30.7	Very low	32	Very low	59 Å²	59	142.7 Å²	142.7	61%	0.608	80%	0.804	S	S	*	*			cis	162.5	172.8	12.1	0	0	0	0	0	109
15	F	33.6	Very low	32.2	Very low	226 Å²	226	139.8 Å²	139.8	99%	0.991	80%	0.798	S	S	*	*			trans	73.9	137.4	174.8	-59.3	-86.9	0	0	0	117.1
16	G	32.4	Very low	32.6	Very low	65 Å²	65	135.7 Å²	135.7	67%	0.67	79%	0.791	S	S	*	*			cis	160.8	149.8	-0.3	0	0	0	0	0	110.5
17	L	34.5	Very low	32.5	Very low	151 Å²	151	136.7 Å²	136.7	79%	0.791	79%	0.785	S	S	*	*			trans	88.2	117.5	155.6	-99.1	71.6	0	0	0	123.7
18	K	36.2	Very low	33.1	Very low	172 Å²	172	140.1 Å²	140.1	75%	0.748	79%	0.788	S	S	*	*			trans	71.4	146.1	131.8	-76.7	177.8	178.2	-175.8	0	120.7
19	D	31.8	Very low	33.1	Very low	145 Å²	145	132.7 Å²	132.7	78%	0.775	78%	0.776	S	S	*	*			cis	-179.5	167.6	-21.5	-111.4	-21	0	0	0	107.1
20	A	35.5	Very low	33.5	Very low	90 Å²	90	129.4 Å²	129.4	74%	0.744	78%	0.775	S	S	*	*			trans	88.3	105.2	168	0	0	0	0	0	117.1
21	V	32.7	Very low	33.6	Very low	127 Å²	127	129.5 Å²	129.5	77%	0.77	78%	0.776	S	S	*	*				72.3	112.5	57.1	-176.7	0	0	0	0	113.5
22	F	33.2	Very low	34	Very low	210 Å²	210	130.1 Å²	130.1	92%	0.921	78%	0.779	S	S	*	*				-162.6	143.2	126.2	-115.7	-82.7	0	0	0	112
23	D	33.2	Very low	34	Very low	145 Å²	145	130.7 Å²	130.7	78%	0.775	78%	0.777	S	S	*	*			trans	-102.9	166	-159.7	-158	0.4	0	0	0	111.9
24	G	36	Very low	34.2	Very low	75 Å²	75	131.2 Å²	131.2	77%	0.773	77%	0.774	S	S	*	*			trans	172.1	89.9	175.3	0	0	0	0	0	117.1
25	S	38.5	Very low	34.3	Very low	93 Å²	93	135.7 Å²	135.7	65%	0.65	78%	0.779	S	S	*	*			trans	-76.1	162.9	-170.6	-59	0	0	0	0	118.7
26	S	36.2	Very low	34.4	Very low	110 Å²	110	133.9 Å²	133.9	77%	0.769	77%	0.771	S	S	*	*			trans	69.8	148.5	135.3	64.7	0	0	0	0	118.6
27	C	32.6	Very low	34.6	Very low	98 Å²	98	133.8 Å²	133.8	66%	0.662	77%	0.77	S	S	*	*			cis	178.7	153.6	11.3	30.3	0	0	0	0	110.4
28	I	37.1	Very low	34.5	Very low	164 Å²	164	136.5 Å²	136.5	84%	0.841	77%	0.772	S	S	*	*			trans	73.4	128.1	138	-61.6	161	0	0	0	122.1
29	S	29.5	Very low	34.5	Very low	105 Å²	105	136.4 Å²	136.4	73%	0.734	77%	0.774	S	S	*	*			trans	-75.4	166.9	165.4	-48.4	0	0	0	0	113.3
30	P	37.8	Very low	34.4	Very low	131 Å²	131	140.6 Å²	140.6	85%	0.851	78%	0.779	S	S	*	*				-161	-177	91.3	39.1	-16	0	0	0	117.5
31	T	32.6	Very low	34.5	Very low	125 Å²	125	147.7 Å²	147.7	77%	0.767	79%	0.786	S	S	*	*			trans	-85	155.3	-178.7	-46.7	0	0	0	0	114.8
32	I	35.4	Very low	34.5	Very low	162 Å²	162	145.9 Å²	145.9	83%	0.831	79%	0.785	S	S	*	*			trans	161	113.3	146.8	-83.5	155.1	0	0	0	108.4
33	V	33	Very low	34.7	Very low	125 Å²	125	141.5 Å²	141.5	76%	0.758	78%	0.78	S	S	*	*				66.9	130.5	79.6	-166	0	0	0	0	117.7
34	Q	35.2	Very low	34.9	Very low	178 Å²	178	141.8 Å²	141.8	83%	0.832	78%	0.782	S	S	*	*			trans	106.1	153.2	164.3	-66.6	-176.2	-28.1	0	0	117
35	Q	33.4	Very low	34.9	Very low	152 Å²	152	145.8 Å²	145.8	71%	0.71	79%	0.786	S	S	*	*				-170.4	163.1	-50.1	-156.8	172.5	4.4	0	0	106.3
36	F	35.4	Very low	34.9	Very low	189 Å²	189	145 Å²	145	83%	0.829	79%	0.791	S	S	*	*			trans	80.7	140.5	172.8	-58	-86.8	0	0	0	117.6
37	G	36.3	Very low	34.7	Very low	63 Å²	63	149.7 Å²	149.7	65%	0.649	80%	0.798	S	S	*	*			cis	164.1	149.3	-1.7	0	0	0	0	0	110.8
38	Y	33.6	Very low	34.9	Very low	207 Å²	207	153.1 Å²	153.1	81%	0.812	81%	0.809	S	S	*	*			trans	87.9	111.4	152.7	-78.2	-90.3	0	0	0	124.4
39	Q	35.9	Very low	34.7	Very low	170 Å²	170	151.6 Å²	151.6	79%	0.794	81%	0.807	S	S	*	*				90.4	118.1	122.7	-98.6	171.9	-15	0	0	125.2
40	R	30.3	Very low	35	Very low	234 Å²	234	154.6 Å²	154.6	88%	0.883	82%	0.816	S	S	*	*			trans	-23.3	146	159.8	-58.3	-178.3	-171.7	-166.3	3.6	121.5
41	R	35.8	Very low	34.9	Very low	238 Å²	238	153.1 Å²	153.1	90%	0.898	81%	0.808	S	S	*	*				157	113.6	111.5	-84.1	-174.5	-173.2	-167.4	2.4	108.4
42	A	34.5	Very low	35.1	Very low	90 Å²	90	151.9 Å²	151.9	74%	0.744	81%	0.805	S	S	*	*				81.8	121.7	85	0	0	0	0	0	115.4
43	S	36.5	Very low	35.5	Very low	118 Å²	118	154.4 Å²	154.4	83%	0.825	81%	0.81	S	S	*	*			trans	68.8	133.1	166.7	-51	0	0	0	0	115.8
44	D	37.3	Very low	36.5	Very low	150 Å²	150	154 Å²	154	80%	0.802	81%	0.808	S	S	*	*			cis	-166.1	171	48.6	-147.4	-8	0	0	0	111.3
45	D	37	Very low	38	Very low	160 Å²	160	149.2 Å²	149.2	86%	0.856	79%	0.794	S	S	*	*			trans	-38.7	144.2	-172.8	-81.3	-45.7	0	0	0	120.3
46	G	37.2	Very low	40.5	Very low	75 Å²	75	146.3 Å²	146.3	77%	0.773	78%	0.783	S	S	*	*			trans	175.8	73.3	171.6	0	0	0	0	0	115.8	L48	G46-L48 PolarHBondContact O-N 3.33Å
47	K	32.2	Very low	43.1	Very low	209 Å²	209	138.8 Å²	138.8	91%	0.909	75%	0.753	S	S	*	*			trans	-30.6	114.4	165.6	-168.7	-178.3	-169.5	-179.8	0	114.4
48	L	37.8	Very low	45.6	Very low	170 Å²	170	135.8 Å²	135.8	89%	0.89	72%	0.722	S	S	*	*			trans	-167.4	135.1	151	-97.9	155.9	0	0	0	110.3	G46	G46-L48 PolarHBondContact O-N 3.33Å
49	T	31.3	Very low	48.4	Very low	132 Å²	132	132.8 Å²	132.8	81%	0.81	71%	0.709	S	S	*	*			trans	-72.1	137.7	-175.3	47.9	0	0	0	0	113
50	D	37	Very low	51	Low	169 Å²	169	124.8 Å²	124.8	90%	0.904	67%	0.672	S	S	*	*			trans	-138.1	132.8	163.2	-148.5	-1.3	0	0	0	112.3
51	S	34.9	Very low	53.8	Low	100 Å²	100	117.4 Å²	117.4	70%	0.699	65%	0.646	S	S	*	*			trans	-96.3	139.1	-164	-78.1	0	0	0	0	113
52	S	36.9	Very low	56.1	Low	99 Å²	99	106.3 Å²	106.3	69%	0.692	61%	0.605	S	S	*	*			trans	56	97.5	145.6	65.5	0	0	0	0	120.9
53	K	44.9	Very low	57.9	Low	215 Å²	215	102.6 Å²	102.6	94%	0.935	57%	0.573	S	S	*	*			trans	-85.8	98.8	142.9	-82.2	-179.7	177.9	174.3	0	108.6	S55	K53-S55 PolarHBondContact O-N 3.25Å
54	T	53.4	Low	59.4	Low	117 Å²	117	102.4 Å²	102.4	72%	0.718	56%	0.563	S	S	*	*			trans	-73.5	106.1	-179.5	50.6	0	0	0	0	111.1
55	S	65.6	Low	61	Low	76 Å²	76	105.8 Å²	105.8	53%	0.531	57%	0.57	S	S	.	*			trans	-78.5	124.9	171	62.5	0	0	0	0	110.6	K53 T57	K53-S55 PolarHBondContact O-N 3.25Å; S55-T57 PolarHBondContact O-N 2.8Å; S55-T57 PolarHBondContact OG-OG1 3.13Å
56	N	86.1	Confident	62.8	Low	92 Å²	92	102 Å²	102	49%	0.492	55%	0.547	S	S	.	.			trans	-73.7	58.4	176.9	-71.3	-3.8	0	0	0	112.6	V72 I122	N56-V72 PolarHBondContact O-N 2.98Å; N56-I122 HydrophobicContact CB-CD1 4.37Å
57	T	89.8	Confident	65	Low	31 Å²	31	108.3 Å²	108.3	19%	0.19	55%	0.548	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.6	-174.9	68.1	0	0	0	0	111.5	S55 V69 V70 N71 G123	S55-T57 PolarHBondContact O-N 2.8Å; S55-T57 PolarHBondContact OG-OG1 3.13Å; T57-V69 HydrophobicContact CG2-CG1 4.19Å; T57-V70 WeakPolarHBondContact CA-O 3.23Å; T57-N71 VanDerWaalsContact CG2-OD1 3.25Å; T57-N71 WeakPolarHBondContact CG2-OD1 3.25Å; T57-G123 PolarHBondContact O-N 3.41Å
58	I	90.4	Very high	67.7	Low	0 Å²	0	99.9 Å²	99.9	0%	0	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.5	172.2	-60	175	0	0	0	107.6	V60 V69 V70 V72 A118 L121 L126	I58-V60 HydrophobicContact CG2-CG2 3.92Å; I58-V69 WeakPolarHBondContact O-CA 3.49Å; I58-V70 PolarHBondContact N-O 3.02Å; I58-V70 PolarHBondContact O-N 3.36Å; I58-V72 HydrophobicContact CB-CG2 4.44Å; I58-V72 HydrophobicContact CD1-CG2 3.35Å; I58-V72 HydrophobicContact CG1-CG2 3.48Å; I58-V72 VanDerWaalsContact CG1-CG2 3.48Å; I58-A118 HydrophobicContact CD1-CB 4.37Å; I58-L121 HydrophobicContact CD1-CB 3.65Å; I58-L121 HydrophobicContact CG1-CB 4.42Å; I58-L121 WeakPolarHBondContact CG1-O 3.32Å; I58-L126 HydrophobicContact CG2-CB 4.48Å; I58-L126 HydrophobicContact CG2-CD1 3.67Å; I58-L126 HydrophobicContact CG2-CG 3.65Å
59	R	90.9	Very high	70.2	Confident	144 Å²	144	95.8 Å²	95.8	54%	0.543	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	131.3	172.2	-62.3	178.3	-174.7	160.6	3.8	109	V69 E124 E125 L126	R59-V69 HydrophobicContact CG-CG2 4.25Å; R59-E124 PolarHBondContact N-O 2.91Å; R59-E125 HydrophobicContact CB-CG 4.21Å; R59-E125 WeakPolarHBondContact CD-OE1 3.14Å; R59-E125 IonicContact NH1-OE1 3.13Å; R59-E125 PolarHBondContact NH1-OE1 3.4Å; R59-E125 VanDerWaalsContact NH1-OE1 3.13Å; R59-E125 WeakPolarHBondContact O-CA 2.94Å; R59-L126 PolarHBondContact O-N 3.15Å
60	V	90.9	Very high	72.9	Confident	2 Å²	2	90.6 Å²	90.6	1%	0.012	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	117.2	-173.4	-172.4	0	0	0	0	109.2	I58 L62 R67 T68 V70 L82 L126 V128	I58-V60 HydrophobicContact CG2-CG2 3.92Å; V60-L62 HydrophobicContact CG1-CD2 3.95Å; V60-L62 HydrophobicContact CG1-CG 4.35Å; V60-R67 CarbonylContact O-C 3.59Å; V60-R67 WeakPolarHBondContact O-CA 3.39Å; V60-T68 HydrophobicContact CB-CG2 3.87Å; V60-T68 PolarHBondContact N-O 3.33Å; V60-T68 PolarHBondContact O-N 3.23Å; V60-V70 HydrophobicContact CG2-CG2 4.09Å; V60-L82 HydrophobicContact CB-CD2 4.19Å; V60-L82 HydrophobicContact CG1-CD2 3.75Å; V60-L82 HydrophobicContact CG2-CD2 3.63Å; V60-L126 CarbonylContact C-O 3.54Å; V60-L126 WeakPolarHBondContact CA-O 3.2Å; V60-L126 HydrophobicContact CG1-CB 4.45Å; V60-L126 HydrophobicContact CG2-CB 4.43Å; V60-V128 HydrophobicContact CG1-CG2 3.64Å
61	F	89.9	Confident	75.4	Confident	78 Å²	78	88.3 Å²	88.3	34%	0.342	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	116.7	167.9	-61.7	-83.8	0	0	0	108.2	Q66 R67 L101 E125 L126 Q127 V128	F61-Q66 CarbonylContact C-O 3.58Å; F61-R67 HydrophobicContact CD1-CB 4.45Å; F61-L101 HydrophobicContact CD2-CD1 3.68Å; F61-L101 HydrophobicContact CE2-CD1 3.88Å; F61-E125 HydrophobicContact CE2-CB 4.12Å; F61-L126 WeakPolarHBondContact CD2-O 3.4Å; F61-L126 PolarHBondContact N-O 2.95Å; F61-Q127 HydrophobicContact CB-CB 4.46Å; F61-Q127 HydrophobicContact CB-CG 4.42Å; F61-Q127 CarbonylContact O-C 3.35Å; F61-Q127 WeakPolarHBondContact O-CA 3.18Å; F61-V128 PolarHBondContact O-N 2.98Å
62	L	82.8	Confident	77.9	Confident	6 Å²	6	84 Å²	84	3%	0.031	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	162	178.9	-66.8	174.1	0	0	0	110.2	V60 Q66 T68 A85 L86 R89 V128	V60-L62 HydrophobicContact CG1-CD2 3.95Å; V60-L62 HydrophobicContact CG1-CG 4.35Å; L62-Q66 HydrophobicContact CB-CB 4.14Å; L62-Q66 PolarHBondContact N-O 3.46Å; L62-Q66 PolarHBondContact O-N 3.04Å; L62-T68 HydrophobicContact CD1-CG2 3.71Å; L62-T68 HydrophobicContact CG-CG2 4.11Å; L62-A85 HydrophobicContact CD1-CB 4.45Å; L62-L86 HydrophobicContact CD2-CD2 4Å; L62-R89 VanDerWaalsContact CD1-CD 3.42Å; L62-V128 HydrophobicContact CD2-CB 3.99Å; L62-V128 HydrophobicContact CD2-CG2 3.84Å
63	P	73.2	Confident	80.2	Confident	12 Å²	12	88 Å²	88	8%	0.078	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	156.5	175.4	-22	31.9	0	0	0	112.7	L91 V128 F130	P63-L91 HydrophobicContact CG-CD1 4.09Å; P63-V128 WeakPolarHBondContact CD-O 3.37Å; P63-V128 HydrophobicContact CG-CG1 4.4Å; P63-V128 WeakPolarHBondContact CG-O 3.45Å; P63-F130 HydrophobicContact CB-CD2 3.6Å; P63-F130 HydrophobicContact CB-CE1 4.35Å; P63-F130 HydrophobicContact CB-CE2 3.16Å; P63-F130 HydrophobicContact CB-CG 4.36Å; P63-F130 HydrophobicContact CB-CZ 3.6Å; P63-F130 HydrophobicContact CG-CD1 4.4Å; P63-F130 HydrophobicContact CG-CD2 4.04Å; P63-F130 HydrophobicContact CG-CE1 4.26Å; P63-F130 HydrophobicContact CG-CE2 3.87Å; P63-F130 HydrophobicContact CG-CG 4.32Å; P63-F130 HydrophobicContact CG-CZ 3.99Å
64	N	68.6	Low	82	Confident	114 Å²	114	84.5 Å²	84.5	61%	0.61	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	37.7	-173.1	-63.1	-15.9	0	0	0	115	Q66	N64-Q66 PolarHBondContact O-N 3.33Å; N64-Q66 VanDerWaalsContact O-N 3.15Å
65	K	69.8	Low	83.5	Confident	220 Å²	220	82.3 Å²	82.3	96%	0.957	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	26.6	177.2	-56.3	-178.2	179.6	179.6	0	113.6
66	Q	76	Confident	84.6	Confident	81 Å²	81	81.5 Å²	81.5	38%	0.379	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	153.8	177.7	-62.2	-171.6	4.2	0	0	110	F61 L62 N64	F61-Q66 CarbonylContact C-O 3.58Å; L62-Q66 HydrophobicContact CB-CB 4.14Å; L62-Q66 PolarHBondContact N-O 3.46Å; L62-Q66 PolarHBondContact O-N 3.04Å; N64-Q66 PolarHBondContact O-N 3.33Å; N64-Q66 VanDerWaalsContact O-N 3.15Å
67	R	83.5	Confident	84.8	Confident	207 Å²	207	78.1 Å²	78.1	78%	0.781	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	146.6	174.7	64	-177.4	-180	-178.5	-0.2	110.3	V60 F61	V60-R67 CarbonylContact O-C 3.59Å; V60-R67 WeakPolarHBondContact O-CA 3.39Å; F61-R67 HydrophobicContact CD1-CB 4.45Å
68	T	88.6	Confident	84.9	Confident	33 Å²	33	76.6 Å²	76.6	20%	0.202	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	158.5	172.1	-162.9	0	0	0	0	109.4	V60 L62 V70 A85	V60-T68 HydrophobicContact CB-CG2 3.87Å; V60-T68 PolarHBondContact N-O 3.33Å; V60-T68 PolarHBondContact O-N 3.23Å; L62-T68 HydrophobicContact CD1-CG2 3.71Å; L62-T68 HydrophobicContact CG-CG2 4.11Å; T68-V70 HydrophobicContact CG2-CG2 4.05Å; T68-A85 HydrophobicContact CG2-CB 4.06Å
69	V	88.9	Confident	84.8	Confident	84 Å²	84	79.7 Å²	79.7	51%	0.509	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.8	173.6	-179.4	0	0	0	0	106.2	T57 I58 R59	T57-V69 HydrophobicContact CG2-CG1 4.19Å; I58-V69 WeakPolarHBondContact O-CA 3.49Å; R59-V69 HydrophobicContact CG-CG2 4.25Å
70	V	89.2	Confident	84.8	Confident	22 Å²	22	77.1 Å²	77.1	13%	0.133	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.1	-176.8	-163.9	0	0	0	0	109.5	T57 I58 V60 T68 C81 L82	T57-V70 WeakPolarHBondContact CA-O 3.23Å; I58-V70 PolarHBondContact N-O 3.02Å; I58-V70 PolarHBondContact O-N 3.36Å; V60-V70 HydrophobicContact CG2-CG2 4.09Å; T68-V70 HydrophobicContact CG2-CG2 4.05Å; V70-C81 WeakPolarHBondContact CG1-O 3.37Å; V70-C81 WeakPolarHBondContact CG1-SG 3.25Å; V70-L82 HydrophobicContact CG2-CD2 4.19Å
71	N	88.8	Confident	84.7	Confident	122 Å²	122	77.4 Å²	77.4	65%	0.652	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	131.1	176.1	-65.5	-18.3	0	0	0	109.5	T57	T57-N71 VanDerWaalsContact CG2-OD1 3.25Å; T57-N71 WeakPolarHBondContact CG2-OD1 3.25Å
72	V	87.9	Confident	84.7	Confident	9 Å²	9	73.7 Å²	73.7	6%	0.055	37%	0.373	C	S	.	.			trans	-101.7	139	-178.6	-178.8	0	0	0	0	110.5	N56 I58 A118 A119 I122	N56-V72 PolarHBondContact O-N 2.98Å; I58-V72 HydrophobicContact CB-CG2 4.44Å; I58-V72 HydrophobicContact CD1-CG2 3.35Å; I58-V72 HydrophobicContact CG1-CG2 3.48Å; I58-V72 VanDerWaalsContact CG1-CG2 3.48Å; V72-A118 HydrophobicContact CG1-CB 3.81Å; V72-A118 HydrophobicContact CG2-CB 4.32Å; V72-A119 HydrophobicContact CG1-CB 4.38Å; V72-I122 HydrophobicContact CB-CD1 4.25Å; V72-I122 HydrophobicContact CB-CG1 3.96Å; V72-I122 HydrophobicContact CG1-CD1 4.14Å; V72-I122 HydrophobicContact CG1-CG1 4.04Å; V72-I122 HydrophobicContact CG2-CG1 4.21Å
73	R	85.6	Confident	84.9	Confident	184 Å²	184	75.9 Å²	75.9	69%	0.694	38%	0.384	S	S	*	.			trans	-117	147	167.9	-60.2	-179	-178.9	177.4	-2	108.6	G75 M76	R73-G75 PolarHBondContact O-N 2.92Å; R73-M76 HydrophobicContact CB-CE 4.31Å; R73-M76 HydrophobicContact CB-CG 4.24Å; R73-M76 HydrophobicContact CB-SD 3.93Å; R73-M76 HydrophobicContact CG-CE 4.33Å; R73-M76 HydrophobicContact CG-SD 4.25Å; R73-M76 PolarHBondContact O-N 2.93Å
74	N	82.9	Confident	85.4	Confident	141 Å²	141	83.4 Å²	83.4	75%	0.754	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	132.7	175.3	-68.5	-12.5	0	0	0	110.3
75	G	84.4	Confident	86.3	Confident	71 Å²	71	78.6 Å²	78.6	73%	0.732	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	1.3	180	0	0	0	0	0	116	R73	R73-G75 PolarHBondContact O-N 2.92Å
76	M	88.8	Confident	86.9	Confident	59 Å²	59	68.1 Å²	68.1	29%	0.291	35%	0.345	S	S	.	.			trans	-80.5	132.1	172.1	-76.6	-176.2	162.9	0	0	111.2	R73 A118	R73-M76 HydrophobicContact CB-CE 4.31Å; R73-M76 HydrophobicContact CB-CG 4.24Å; R73-M76 HydrophobicContact CB-SD 3.93Å; R73-M76 HydrophobicContact CG-CE 4.33Å; R73-M76 HydrophobicContact CG-SD 4.25Å; R73-M76 PolarHBondContact O-N 2.93Å; M76-A118 HydrophobicContact CB-CB 4.47Å; M76-A118 VanDerWaalsContact O-CB 3.25Å; M76-A118 WeakPolarHBondContact O-CB 3.43Å; M76-A118 PolarHBondContact O-N 3.05Å
77	S	91	Very high	87.1	Confident	20 Å²	20	71.3 Å²	71.3	14%	0.14	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-72.9	159.5	167.6	68.6	0	0	0	0	111.2	H79 D80 C81	S77-H79 PolarHBondContact O-N 2.86Å; S77-D80 PolarHBondContact N-OD2 3.09Å; S77-D80 PolarHBondContact O-N 3.3Å; S77-D80 VanDerWaalsContact O-N 3.09Å; S77-D80 PolarHBondContact OG-N 3.32Å; S77-D80 VanDerWaalsContact OG-N 3.16Å; S77-D80 PolarHBondContact OG-OD2 3Å; S77-C81 WeakPolarHBondContact O-CB 3.39Å; S77-C81 PolarHBondContact O-N 3.32Å
78	L	90.3	Very high	86.8	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-55.9	-36.1	172.5	-175.3	63.1	0	0	0	111.9	C81 L82 V98 L112 W114 T116 L121 L126	L78-C81 PolarHBondContact O-N 3.22Å; L78-L82 HydrophobicContact CD1-CD1 3.79Å; L78-L82 HydrophobicContact CD1-CG 4.17Å; L78-L82 HydrophobicContact CG-CD1 4.01Å; L78-L82 WeakPolarHBondContact O-CB 3.49Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 2.96Å; L78-V98 HydrophobicContact CD1-CG1 4.45Å; L78-V98 HydrophobicContact CD2-CB 3.84Å; L78-V98 HydrophobicContact CD2-CG1 3.89Å; L78-V98 HydrophobicContact CD2-CG2 4Å; L78-V98 HydrophobicContact CG-CG2 4.48Å; L78-L112 HydrophobicContact CD2-CB 3.79Å; L78-L112 HydrophobicContact CD2-CD1 4.06Å; L78-W114 PolarHBondContact N-O 3.06Å; L78-T116 PolarHBondContact N-O 2.98Å; L78-L121 HydrophobicContact CD1-CD1 3.95Å; L78-L126 HydrophobicContact CD1-CD1 3.59Å
79	H	89.5	Confident	85.9	Confident	64 Å²	64	68.2 Å²	68.2	30%	0.296	36%	0.355	S	S	.	.	H	α-helix	trans	-57.9	-52.9	171.9	177.7	-89.1	0	0	0	112.1	S77 C81 L82 M83 W114	S77-H79 PolarHBondContact O-N 2.86Å; H79-C81 VanDerWaalsContact C-N 3.28Å; H79-C81 PolarHBondContact O-N 3.36Å; H79-L82 PolarHBondContact O-N 2.89Å; H79-M83 WeakPolarHBondContact CE1-CE 3.39Å; H79-M83 WeakPolarHBondContact NE2-CE 3.34Å; H79-M83 WeakPolarHBondContact O-CB 3.34Å; H79-M83 PolarHBondContact O-N 2.78Å; H79-W114 HydrophobicContact CB-CB 4.29Å; H79-W114 HydrophobicContact CB-CE3 4.21Å; H79-W114 WeakPolarHBondContact CB-O 3.46Å; H79-W114 PolarHBondContact N-O 2.97Å
80	D	89.7	Confident	84.8	Confident	91 Å²	91	65.5 Å²	65.5	49%	0.487	34%	0.344	S	S	.	.	H	α-helix	trans	-63.4	-37.7	-178.7	-57.7	-40.9	0	0	0	112	S77	S77-D80 PolarHBondContact N-OD2 3.09Å; S77-D80 PolarHBondContact O-N 3.3Å; S77-D80 VanDerWaalsContact O-N 3.09Å; S77-D80 PolarHBondContact OG-N 3.32Å; S77-D80 VanDerWaalsContact OG-N 3.16Å; S77-D80 PolarHBondContact OG-OD2 3Å
81	C	89.6	Confident	84	Confident	7 Å²	7	65 Å²	65	5%	0.047	34%	0.341	C	S	.	.	H	α-helix	trans	-61.4	-51.7	176.6	-170.9	0	0	0	0	111.1	V70 S77 L78 H79 A118	V70-C81 WeakPolarHBondContact CG1-O 3.37Å; V70-C81 WeakPolarHBondContact CG1-SG 3.25Å; S77-C81 WeakPolarHBondContact O-CB 3.39Å; S77-C81 PolarHBondContact O-N 3.32Å; L78-C81 PolarHBondContact O-N 3.22Å; H79-C81 VanDerWaalsContact C-N 3.28Å; H79-C81 PolarHBondContact O-N 3.36Å; C81-A118 HydrophobicContact CB-CB 4.11Å
82	L	90.4	Very high	83.2	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-86.8	-21.1	-172.8	-65.7	179.6	0	0	0	114.5	V60 V70 L78 H79 K84 A85 L86 V98 W114 V128	V60-L82 HydrophobicContact CB-CD2 4.19Å; V60-L82 HydrophobicContact CG1-CD2 3.75Å; V60-L82 HydrophobicContact CG2-CD2 3.63Å; V70-L82 HydrophobicContact CG2-CD2 4.19Å; L78-L82 HydrophobicContact CD1-CD1 3.79Å; L78-L82 HydrophobicContact CD1-CG 4.17Å; L78-L82 HydrophobicContact CG-CD1 4.01Å; L78-L82 WeakPolarHBondContact O-CB 3.49Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 2.96Å; H79-L82 PolarHBondContact O-N 2.89Å; L82-K84 VanDerWaalsContact C-N 3.29Å; L82-K84 PolarHBondContact O-N 2.85Å; L82-A85 WeakPolarHBondContact O-CB 3.35Å; L82-A85 PolarHBondContact O-N 3.4Å; L82-L86 HydrophobicContact CB-CD1 4.12Å; L82-L86 HydrophobicContact CB-CG 4.39Å; L82-L86 WeakPolarHBondContact O-CG 3.24Å; L82-L86 PolarHBondContact O-N 3.23Å; L82-V98 HydrophobicContact CD1-CG1 4.04Å; L82-V98 HydrophobicContact CD1-CG2 3.67Å; L82-W114 HydrophobicContact CB-CZ3 4.22Å; L82-W114 HydrophobicContact CD1-CZ3 3.97Å; L82-V128 HydrophobicContact CD1-CG2 4.03Å
83	M	86.4	Confident	82.7	Confident	53 Å²	53	63.7 Å²	63.7	26%	0.261	33%	0.33	S	S	.	.	H	α-helix	trans	-52.4	-46.2	-172	-178.1	58.3	62.9	0	0	112.8	H79 A85 L86 K87 P93	H79-M83 WeakPolarHBondContact CE1-CE 3.39Å; H79-M83 WeakPolarHBondContact NE2-CE 3.34Å; H79-M83 WeakPolarHBondContact O-CB 3.34Å; H79-M83 PolarHBondContact O-N 2.78Å; M83-A85 PolarHBondContact O-N 3.09Å; M83-L86 PolarHBondContact O-N 2.84Å; M83-K87 WeakPolarHBondContact O-CB 3.45Å; M83-K87 PolarHBondContact O-N 2.83Å; M83-P93 HydrophobicContact CE-CB 4.49Å; M83-P93 HydrophobicContact CE-CG 3.28Å; M83-P93 HydrophobicContact SD-CG 3.85Å
84	K	84.9	Confident	82	Confident	170 Å²	170	59.4 Å²	59.4	74%	0.739	32%	0.318	S	S	*	.	H	α-helix	trans	-63.4	-43.6	179.8	-171.1	177.6	-179.6	-179.5	0	111	L82 V88	L82-K84 VanDerWaalsContact C-N 3.29Å; L82-K84 PolarHBondContact O-N 2.85Å; K84-V88 WeakPolarHBondContact O-CB 3.36Å; K84-V88 WeakPolarHBondContact O-CG2 3.34Å; K84-V88 PolarHBondContact O-N 3.43Å
85	A	85.7	Confident	81.6	Confident	12 Å²	12	53 Å²	53	10%	0.099	28%	0.284	C	S	.	.	H	α-helix	trans	-66.2	-38.7	-179.6	0	0	0	0	0	112.5	L62 T68 L82 M83 R89	L62-A85 HydrophobicContact CD1-CB 4.45Å; T68-A85 HydrophobicContact CG2-CB 4.06Å; L82-A85 WeakPolarHBondContact O-CB 3.35Å; L82-A85 PolarHBondContact O-N 3.4Å; M83-A85 PolarHBondContact O-N 3.09Å; A85-R89 WeakPolarHBondContact O-CD 3.42Å; A85-R89 PolarHBondContact O-NH1 3.42Å
86	L	84	Confident	81.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-67.9	-49.8	175.4	-66	172.5	0	0	0	111.3	L62 L82 M83 V88 R89 G90 L91 P93 W114 V128	L62-L86 HydrophobicContact CD2-CD2 4Å; L82-L86 HydrophobicContact CB-CD1 4.12Å; L82-L86 HydrophobicContact CB-CG 4.39Å; L82-L86 WeakPolarHBondContact O-CG 3.24Å; L82-L86 PolarHBondContact O-N 3.23Å; M83-L86 PolarHBondContact O-N 2.84Å; L86-V88 VanDerWaalsContact C-N 3.34Å; L86-V88 PolarHBondContact O-N 3Å; L86-R89 CarbonylContact O-C 3.59Å; L86-R89 WeakPolarHBondContact O-CA 3.5Å; L86-R89 PolarHBondContact O-N 2.66Å; L86-G90 PolarHBondContact O-N 3.33Å; L86-G90 VanDerWaalsContact O-N 3.15Å; L86-L91 CarbonylContact C-O 3.47Å; L86-L91 HydrophobicContact CB-CB 4.04Å; L86-L91 HydrophobicContact CD2-CB 3.85Å; L86-L91 HydrophobicContact CD2-CD1 3.89Å; L86-L91 PolarHBondContact O-N 2.8Å; L86-P93 HydrophobicContact CD1-CB 4.34Å; L86-P93 HydrophobicContact CD1-CG 4.18Å; L86-W114 HydrophobicContact CD1-CH2 3.68Å; L86-W114 HydrophobicContact CD1-CZ3 4.03Å; L86-V128 HydrophobicContact CD2-CG1 4.18Å
87	K	78.6	Confident	81.3	Confident	149 Å²	149	46.9 Å²	46.9	65%	0.648	24%	0.236	S	C	*	.	H	α-helix	trans	-60.6	-40.8	-178.8	-171	173.2	-175.9	172.5	0	112.5	M83 R89 G90	M83-K87 WeakPolarHBondContact O-CB 3.45Å; M83-K87 PolarHBondContact O-N 2.83Å; K87-R89 PolarHBondContact O-N 3.5Å; K87-G90 PolarHBondContact O-N 2.86Å; K87-G90 VanDerWaalsContact O-N 3.11Å
88	V	77	Confident	81.2	Confident	110 Å²	110	46 Å²	46	67%	0.667	23%	0.23	S	C	*	.	H	α-helix	trans	-59.9	-25.5	175.4	168.1	0	0	0	0	112.1	K84 L86	K84-V88 WeakPolarHBondContact O-CB 3.36Å; K84-V88 WeakPolarHBondContact O-CG2 3.34Å; K84-V88 PolarHBondContact O-N 3.43Å; L86-V88 VanDerWaalsContact C-N 3.34Å; L86-V88 PolarHBondContact O-N 3Å
89	R	70.8	Confident	81.2	Confident	64 Å²	64	48 Å²	48	24%	0.242	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	7.2	-179.3	-70.3	165.1	173.3	85.1	0.9	113.5	L62 A85 L86 K87 L91 T182	L62-R89 VanDerWaalsContact CD1-CD 3.42Å; A85-R89 WeakPolarHBondContact O-CD 3.42Å; A85-R89 PolarHBondContact O-NH1 3.42Å; L86-R89 CarbonylContact O-C 3.59Å; L86-R89 WeakPolarHBondContact O-CA 3.5Å; L86-R89 PolarHBondContact O-N 2.66Å; K87-R89 PolarHBondContact O-N 3.5Å; R89-L91 HydrophobicContact CB-CD1 4.21Å; R89-L91 HydrophobicContact CB-CG 4.14Å; R89-L91 PolarHBondContact O-N 3.45Å; R89-T182 WeakPolarHBondContact O-CG2 3.26Å; R89-T182 PolarHBondContact O-OG1 2.78Å
90	G	66.7	Low	81.1	Confident	28 Å²	28	48.4 Å²	48.4	29%	0.289	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	18.2	-177.2	0	0	0	0	0	113.9	L86 K87	L86-G90 PolarHBondContact O-N 3.33Å; L86-G90 VanDerWaalsContact O-N 3.15Å; K87-G90 PolarHBondContact O-N 2.86Å; K87-G90 VanDerWaalsContact O-N 3.11Å
91	L	72	Confident	80.8	Confident	12 Å²	12	46.1 Å²	46.1	6%	0.063	23%	0.225	C	C	.	.			trans	-88.7	132.1	176.6	-59.1	175.1	0	0	0	109.1	P63 L86 R89 F130	P63-L91 HydrophobicContact CG-CD1 4.09Å; L86-L91 CarbonylContact C-O 3.47Å; L86-L91 HydrophobicContact CB-CB 4.04Å; L86-L91 HydrophobicContact CD2-CB 3.85Å; L86-L91 HydrophobicContact CD2-CD1 3.89Å; L86-L91 PolarHBondContact O-N 2.8Å; R89-L91 HydrophobicContact CB-CD1 4.21Å; R89-L91 HydrophobicContact CB-CG 4.14Å; R89-L91 PolarHBondContact O-N 3.45Å; L91-F130 HydrophobicContact CD2-CE1 3.49Å; L91-F130 VanDerWaalsContact CD2-CE1 3.49Å; L91-F130 HydrophobicContact CD2-CZ 3.52Å
92	Q	70.6	Confident	80.2	Confident	96 Å²	96	49.7 Å²	49.7	45%	0.449	24%	0.244	S	C	.	.			trans	-96	132.9	172	-68.1	-63.3	-68.1	0	0	108.2	E94 C95 C96	Q92-E94 WeakPolarHBondContact CB-OE2 3.26Å; Q92-E94 PolarHBondContact O-N 2.65Å; Q92-E94 VanDerWaalsContact O-N 3.14Å; Q92-C95 PolarHBondContact O-N 3.16Å; Q92-C96 PolarHBondContact O-SG 3.26Å; Q92-C96 VanDerWaalsContact O-SG 3.39Å
93	P	77.4	Confident	79	Confident	6 Å²	6	58.3 Å²	58.3	4%	0.039	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-53.9	-33	179.9	-20.1	26.4	0	0	0	112.9	M83 L86 C95 C96 W114	M83-P93 HydrophobicContact CE-CB 4.49Å; M83-P93 HydrophobicContact CE-CG 3.28Å; M83-P93 HydrophobicContact SD-CG 3.85Å; L86-P93 HydrophobicContact CD1-CB 4.34Å; L86-P93 HydrophobicContact CD1-CG 4.18Å; P93-C95 PolarHBondContact O-N 3.02Å; P93-C96 PolarHBondContact O-N 3.09Å; P93-W114 HydrophobicContact CB-CH2 4.04Å; P93-W114 HydrophobicContact CB-CZ2 3.92Å; P93-W114 HydrophobicContact CB-CZ3 4.4Å; P93-W114 WeakPolarHBondContact O-CZ2 3.46Å
94	E	72.7	Confident	77.7	Confident	94 Å²	94	64.5 Å²	64.5	44%	0.439	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-63.6	-24.4	180	-58	77.7	-171.5	0	0	112.2	Q92 L131 L194	Q92-E94 WeakPolarHBondContact CB-OE2 3.26Å; Q92-E94 PolarHBondContact O-N 2.65Å; Q92-E94 VanDerWaalsContact O-N 3.14Å; E94-L131 WeakPolarHBondContact O-CD1 3.37Å; E94-L194 HydrophobicContact CB-CD1 4.32Å; E94-L194 WeakPolarHBondContact O-CD1 3.44Å; E94-L194 WeakPolarHBondContact O-CD2 3.35Å
95	C	72.8	Confident	76.3	Confident	7 Å²	7	62.1 Å²	62.1	5%	0.047	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-89.8	-3.9	177.6	-59.2	0	0	0	0	113	Q92 P93 L131 V134	Q92-C95 PolarHBondContact O-N 3.16Å; P93-C95 PolarHBondContact O-N 3.02Å; C95-L131 PolarHBondContact O-N 3.14Å; C95-L131 VanDerWaalsContact O-N 3.14Å; C95-V134 HydrophobicContact CB-CG1 4.45Å
96	C	82.1	Confident	74.8	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.007	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	150.5	-169.6	-54.7	0	0	0	0	111	Q92 P93 W114 V128 D129	Q92-C96 PolarHBondContact O-SG 3.26Å; Q92-C96 VanDerWaalsContact O-SG 3.39Å; P93-C96 PolarHBondContact O-N 3.09Å; C96-W114 HydrophobicContact CB-CH2 4.42Å; C96-W114 HydrophobicContact CB-CZ2 4.08Å; C96-W114 WeakPolarHBondContact O-CZ2 3.48Å; C96-V128 HydrophobicContact CB-CG1 3.61Å; C96-D129 CarbonylContact C-O 3.59Å; C96-D129 WeakPolarHBondContact CA-O 3.44Å
97	A	85.6	Confident	73.6	Confident	1 Å²	1	76.1 Å²	76.1	1%	0.008	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.8	163.6	0	0	0	0	0	109	F99 V128 D129 L131	A97-F99 HydrophobicContact CB-CD2 4.44Å; A97-F99 HydrophobicContact CB-CE2 3.59Å; A97-F99 HydrophobicContact CB-CZ 3.85Å; A97-V128 WeakPolarHBondContact O-CA 3.21Å; A97-D129 PolarHBondContact N-O 3.29Å; A97-D129 PolarHBondContact O-N 3.08Å; A97-L131 HydrophobicContact CB-CD2 3.73Å; A97-L131 HydrophobicContact CB-CG 4.37Å
98	V	88.7	Confident	73	Confident	1 Å²	1	75.5 Å²	75.5	1%	0.006	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.3	177	-165.7	0	0	0	0	108.7	L78 L82 L112 W114 L126 Q127 V128	L78-V98 HydrophobicContact CD1-CG1 4.45Å; L78-V98 HydrophobicContact CD2-CB 3.84Å; L78-V98 HydrophobicContact CD2-CG1 3.89Å; L78-V98 HydrophobicContact CD2-CG2 4Å; L78-V98 HydrophobicContact CG-CG2 4.48Å; L82-V98 HydrophobicContact CD1-CG1 4.04Å; L82-V98 HydrophobicContact CD1-CG2 3.67Å; V98-L112 HydrophobicContact CG1-CD1 4.37Å; V98-L112 PolarHBondContact O-N 2.86Å; V98-W114 HydrophobicContact CG2-CD2 4.4Å; V98-W114 HydrophobicContact CG2-CE3 4.07Å; V98-W114 HydrophobicContact CG2-CH2 3.41Å; V98-W114 VanDerWaalsContact CG2-CH2 3.41Å; V98-W114 HydrophobicContact CG2-CZ2 3.78Å; V98-W114 HydrophobicContact CG2-CZ3 3.58Å; V98-L126 HydrophobicContact CG1-CB 4.08Å; V98-L126 HydrophobicContact CG1-CD1 4.02Å; V98-Q127 CarbonylContact C-O 3.58Å; V98-V128 HydrophobicContact CG1-CG2 4.21Å; V98-V128 HydrophobicContact CG2-CG2 4.18Å
99	F	89.7	Confident	73.1	Confident	42 Å²	42	74.3 Å²	74.3	18%	0.184	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.7	-179.7	-62.8	-88.2	0	0	0	109.7	A97 K109 A110 R111 L126 Q127 D129	A97-F99 HydrophobicContact CB-CD2 4.44Å; A97-F99 HydrophobicContact CB-CE2 3.59Å; A97-F99 HydrophobicContact CB-CZ 3.85Å; F99-K109 HydrophobicContact CB-CB 3.98Å; F99-K109 HydrophobicContact CB-CD 4.17Å; F99-K109 HydrophobicContact CB-CG 4.31Å; F99-K109 HydrophobicContact CD1-CB 3.93Å; F99-K109 HydrophobicContact CG-CB 4.22Å; F99-K109 HydrophobicContact CG-CD 4.26Å; F99-A110 CarbonylContact C-O 3.49Å; F99-A110 VanDerWaalsContact CA-O 3.26Å; F99-A110 WeakPolarHBondContact CA-O 3.41Å; F99-R111 HydrophobicContact CD1-CB 4.08Å; F99-R111 HydrophobicContact CE1-CB 3.94Å; F99-R111 HydrophobicContact CE1-CG 4.33Å; F99-L126 CarbonylContact O-C 3.49Å; F99-L126 VanDerWaalsContact O-CA 3.26Å; F99-L126 WeakPolarHBondContact O-CA 3.47Å; F99-Q127 PolarHBondContact N-O 3.36Å; F99-Q127 PolarHBondContact O-N 3.33Å; F99-D129 HydrophobicContact CD2-CB 4.24Å; F99-D129 HydrophobicContact CE2-CB 3.93Å
100	R	89.2	Confident	73.7	Confident	72 Å²	72	73.1 Å²	73.1	27%	0.272	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	129.7	164.5	-169.4	-173.8	-64	172.7	-1.1	108.9	K109 A110 L112 L126	R100-K109 WeakPolarHBondContact O-CA 3.5Å; R100-A110 PolarHBondContact N-O 3.36Å; R100-A110 PolarHBondContact O-N 2.77Å; R100-A110 VanDerWaalsContact O-N 3.09Å; R100-L112 HydrophobicContact CB-CD1 4.13Å; R100-L112 HydrophobicContact CB-CD2 4.31Å; R100-L112 HydrophobicContact CB-CG 4.25Å; R100-L126 HydrophobicContact CB-CD2 4.19Å; R100-L126 HydrophobicContact CG-CD2 4.28Å
101	L	82.8	Confident	74.6	Confident	43 Å²	43	79.1 Å²	79.1	23%	0.225	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	112.6	173.4	-70.3	158.5	0	0	0	109	F61 K109 E125 Q127	F61-L101 HydrophobicContact CD2-CD1 3.68Å; F61-L101 HydrophobicContact CE2-CD1 3.88Å; L101-K109 HydrophobicContact CD2-CG 4.17Å; L101-E125 HydrophobicContact CB-CB 4.4Å; L101-E125 WeakPolarHBondContact CB-O 3.37Å; L101-E125 HydrophobicContact CD1-CB 3.93Å; L101-E125 PolarHBondContact N-O 2.96Å; L101-Q127 HydrophobicContact CD1-CB 4.12Å; L101-Q127 HydrophobicContact CD2-CB 4.35Å; L101-Q127 HydrophobicContact CG-CB 4.17Å
102	L	75.8	Confident	75.4	Confident	83 Å²	83	79.4 Å²	79.4	44%	0.435	39%	0.387	S	S	.	.			trans	-82.4	121	177.5	-66.5	165.1	0	0	0	109.7	E104 K108	L102-E104 VanDerWaalsContact C-N 3.31Å; L102-E104 PolarHBondContact O-N 2.76Å; L102-K108 HydrophobicContact CD1-CB 4.28Å
103	Q	65.3	Low	76.2	Confident	181 Å²	181	79.5 Å²	79.5	85%	0.846	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-27.3	-177.9	-71.2	-171.8	-6.7	0	0	113.6
104	E	59.7	Low	76.7	Confident	183 Å²	183	81.5 Å²	81.5	86%	0.855	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-10.3	-170.5	-67	-163.7	149.1	0	0	115.6	L102	L102-E104 VanDerWaalsContact C-N 3.31Å; L102-E104 PolarHBondContact O-N 2.76Å
105	H	56.1	Low	77.4	Confident	120 Å²	120	83.2 Å²	83.2	56%	0.556	41%	0.409	S	S	*	.	S	Bend	trans	-140.3	104	175.2	-79.5	-72	0	0	0	110.8	G107 K108	H105-G107 PolarHBondContact O-N 2.75Å; H105-K108 HydrophobicContact CB-CB 4.35Å; H105-K108 HydrophobicContact CB-CD 4.28Å; H105-K108 HydrophobicContact CB-CG 4.43Å; H105-K108 PolarHBondContact O-N 3.01Å; H105-K108 VanDerWaalsContact O-N 3.09Å
106	K	53.2	Low	78.2	Confident	229 Å²	229	84.4 Å²	84.4	100%	0.996	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.4	104.8	172.7	-84.4	-175.7	175.1	177.7	0	110.3
107	G	58.7	Low	78.6	Confident	77 Å²	77	88 Å²	88	79%	0.794	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.3	-11.1	172.3	0	0	0	0	0	116.8	H105	H105-G107 PolarHBondContact O-N 2.75Å
108	K	66.9	Low	78.7	Confident	135 Å²	135	88 Å²	88	59%	0.587	44%	0.435	S	S	*	.			trans	-84.5	119.6	174.9	-77.7	-174.8	178.4	176.4	0	110.9	L102 H105	L102-K108 HydrophobicContact CD1-CB 4.28Å; H105-K108 HydrophobicContact CB-CB 4.35Å; H105-K108 HydrophobicContact CB-CD 4.28Å; H105-K108 HydrophobicContact CB-CG 4.43Å; H105-K108 PolarHBondContact O-N 3.01Å; H105-K108 VanDerWaalsContact O-N 3.09Å
109	K	79.6	Confident	78.7	Confident	85 Å²	85	89 Å²	89	37%	0.37	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.2	174	-74.2	178.2	-177.9	178.3	0	109.1	F99 R100 L101 D129	F99-K109 HydrophobicContact CB-CB 3.98Å; F99-K109 HydrophobicContact CB-CD 4.17Å; F99-K109 HydrophobicContact CB-CG 4.31Å; F99-K109 HydrophobicContact CD1-CB 3.93Å; F99-K109 HydrophobicContact CG-CB 4.22Å; F99-K109 HydrophobicContact CG-CD 4.26Å; R100-K109 WeakPolarHBondContact O-CA 3.5Å; L101-K109 HydrophobicContact CD2-CG 4.17Å; K109-D129 IonicContact NZ-OD2 2.77Å; K109-D129 PolarHBondContact NZ-OD2 2.73Å
110	A	83.2	Confident	78.6	Confident	40 Å²	40	90.6 Å²	90.6	33%	0.331	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.2	174.3	0	0	0	0	0	109.8	F99 R100 L112	F99-A110 CarbonylContact C-O 3.49Å; F99-A110 VanDerWaalsContact CA-O 3.26Å; F99-A110 WeakPolarHBondContact CA-O 3.41Å; R100-A110 PolarHBondContact N-O 3.36Å; R100-A110 PolarHBondContact O-N 2.77Å; R100-A110 VanDerWaalsContact O-N 3.09Å; A110-L112 PolarHBondContact O-N 3.49Å
111	R	85.8	Confident	78.6	Confident	154 Å²	154	87.1 Å²	87.1	58%	0.581	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	132.8	177.5	-174.7	174.9	179.3	136.4	-2.1	110.1	F99	F99-R111 HydrophobicContact CD1-CB 4.08Å; F99-R111 HydrophobicContact CE1-CB 3.94Å; F99-R111 HydrophobicContact CE1-CG 4.33Å
112	L	88.2	Confident	78.8	Confident	18 Å²	18	87.8 Å²	87.8	9%	0.094	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	146	176.3	-63.6	174.7	0	0	0	110.7	L78 V98 R100 A110 L121 L126	L78-L112 HydrophobicContact CD2-CB 3.79Å; L78-L112 HydrophobicContact CD2-CD1 4.06Å; V98-L112 HydrophobicContact CG1-CD1 4.37Å; V98-L112 PolarHBondContact O-N 2.86Å; R100-L112 HydrophobicContact CB-CD1 4.13Å; R100-L112 HydrophobicContact CB-CD2 4.31Å; R100-L112 HydrophobicContact CB-CG 4.25Å; A110-L112 PolarHBondContact O-N 3.49Å; L112-L121 HydrophobicContact CD1-CD1 3.8Å; L112-L121 HydrophobicContact CD1-CD2 4.06Å; L112-L121 HydrophobicContact CD2-CD2 4.38Å; L112-L126 HydrophobicContact CD1-CD1 4.32Å; L112-L126 HydrophobicContact CD1-CD2 3.6Å
113	D	86.2	Confident	79.2	Confident	98 Å²	98	86.7 Å²	86.7	52%	0.524	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-77.6	144	169.2	-168.3	-87.8	0	0	0	110	N115 T116	D113-N115 PolarHBondContact O-N 3Å; D113-N115 VanDerWaalsContact OD1-CB 3.27Å; D113-N115 WeakPolarHBondContact OD1-CB 3.47Å; D113-N115 PolarHBondContact OD1-N 3.32Å; D113-N115 PolarHBondContact OD1-ND2 2.8Å; D113-T116 PolarHBondContact N-OG1 3.47Å; D113-T116 VanDerWaalsContact O-CB 3.24Å; D113-T116 WeakPolarHBondContact O-CB 3.16Å; D113-T116 PolarHBondContact O-N 3.35Å; D113-T116 PolarHBondContact O-OG1 3.18Å
114	W	88	Confident	80.3	Confident	48 Å²	48	81.5 Å²	81.5	18%	0.182	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.5	179.1	-75.3	108.6	0	0	0	113.4	L78 H79 L82 L86 P93 C96 V98	L78-W114 PolarHBondContact N-O 3.06Å; H79-W114 HydrophobicContact CB-CB 4.29Å; H79-W114 HydrophobicContact CB-CE3 4.21Å; H79-W114 WeakPolarHBondContact CB-O 3.46Å; H79-W114 PolarHBondContact N-O 2.97Å; L82-W114 HydrophobicContact CB-CZ3 4.22Å; L82-W114 HydrophobicContact CD1-CZ3 3.97Å; L86-W114 HydrophobicContact CD1-CH2 3.68Å; L86-W114 HydrophobicContact CD1-CZ3 4.03Å; P93-W114 HydrophobicContact CB-CH2 4.04Å; P93-W114 HydrophobicContact CB-CZ2 3.92Å; P93-W114 HydrophobicContact CB-CZ3 4.4Å; P93-W114 WeakPolarHBondContact O-CZ2 3.46Å; C96-W114 HydrophobicContact CB-CH2 4.42Å; C96-W114 HydrophobicContact CB-CZ2 4.08Å; C96-W114 WeakPolarHBondContact O-CZ2 3.48Å; V98-W114 HydrophobicContact CG2-CD2 4.4Å; V98-W114 HydrophobicContact CG2-CE3 4.07Å; V98-W114 HydrophobicContact CG2-CH2 3.41Å; V98-W114 VanDerWaalsContact CG2-CH2 3.41Å; V98-W114 HydrophobicContact CG2-CZ2 3.78Å; V98-W114 HydrophobicContact CG2-CZ3 3.58Å
115	N	89	Confident	81.7	Confident	129 Å²	129	75.3 Å²	75.3	69%	0.69	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	1	176.3	-53.5	-60	0	0	0	113.5	D113 D117	D113-N115 PolarHBondContact O-N 3Å; D113-N115 VanDerWaalsContact OD1-CB 3.27Å; D113-N115 WeakPolarHBondContact OD1-CB 3.47Å; D113-N115 PolarHBondContact OD1-N 3.32Å; D113-N115 PolarHBondContact OD1-ND2 2.8Å; N115-D117 PolarHBondContact O-N 2.93Å
116	T	88.9	Confident	83.3	Confident	33 Å²	33	69.6 Å²	69.6	20%	0.202	38%	0.38	C	S	.	.	S	Bend	trans	-56.8	135.2	175.3	-52.6	0	0	0	0	109.6	L78 D113 A118 L121	L78-T116 PolarHBondContact N-O 2.98Å; D113-T116 PolarHBondContact N-OG1 3.47Å; D113-T116 VanDerWaalsContact O-CB 3.24Å; D113-T116 WeakPolarHBondContact O-CB 3.16Å; D113-T116 PolarHBondContact O-N 3.35Å; D113-T116 PolarHBondContact O-OG1 3.18Å; T116-A118 PolarHBondContact O-N 3.02Å; T116-L121 HydrophobicContact CG2-CD1 4.2Å
117	D	90.2	Very high	85.1	Confident	76 Å²	76	61 Å²	61	41%	0.406	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-61.8	120.4	175.3	-176.7	4.5	0	0	0	109.8	N115 A119 S120	N115-D117 PolarHBondContact O-N 2.93Å; D117-A119 PolarHBondContact O-N 3.21Å; D117-A119 WeakPolarHBondContact OD1-CB 3.27Å; D117-A119 PolarHBondContact OD1-N 2.94Å; D117-S120 PolarHBondContact O-N 3.18Å; D117-S120 PolarHBondContact O-OG 3.15Å
118	A	88.9	Confident	86.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-66	-26.2	179.5	0	0	0	0	0	111.5	I58 V72 M76 C81 T116 S120 L121	I58-A118 HydrophobicContact CD1-CB 4.37Å; V72-A118 HydrophobicContact CG1-CB 3.81Å; V72-A118 HydrophobicContact CG2-CB 4.32Å; M76-A118 HydrophobicContact CB-CB 4.47Å; M76-A118 VanDerWaalsContact O-CB 3.25Å; M76-A118 WeakPolarHBondContact O-CB 3.43Å; M76-A118 PolarHBondContact O-N 3.05Å; C81-A118 HydrophobicContact CB-CB 4.11Å; T116-A118 PolarHBondContact O-N 3.02Å; A118-S120 PolarHBondContact O-N 2.84Å; A118-L121 PolarHBondContact O-N 2.84Å
119	A	87.7	Confident	87.1	Confident	23 Å²	23	52.9 Å²	52.9	19%	0.19	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-62.8	-31.3	178.6	0	0	0	0	0	112.3	V72 D117 L121 I122	V72-A119 HydrophobicContact CG1-CB 4.38Å; D117-A119 PolarHBondContact O-N 3.21Å; D117-A119 WeakPolarHBondContact OD1-CB 3.27Å; D117-A119 PolarHBondContact OD1-N 2.94Å; A119-L121 PolarHBondContact O-N 2.83Å; A119-I122 HydrophobicContact CB-CD1 4.5Å; A119-I122 WeakPolarHBondContact O-CD1 3.49Å; A119-I122 WeakPolarHBondContact O-CG1 3.46Å
120	S	88.1	Confident	86.9	Confident	75 Å²	75	50.9 Å²	50.9	52%	0.524	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-76.4	-0	176.7	79.7	0	0	0	0	113.9	D117 A118	D117-S120 PolarHBondContact O-N 3.18Å; D117-S120 PolarHBondContact O-OG 3.15Å; A118-S120 PolarHBondContact O-N 2.84Å
121	L	88.6	Confident	86.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-115.9	4.5	-177.4	-58.8	172.6	0	0	0	111.8	I58 L78 L112 T116 A118 A119 G123 E124 L126	I58-L121 HydrophobicContact CD1-CB 3.65Å; I58-L121 HydrophobicContact CG1-CB 4.42Å; I58-L121 WeakPolarHBondContact CG1-O 3.32Å; L78-L121 HydrophobicContact CD1-CD1 3.95Å; L112-L121 HydrophobicContact CD1-CD1 3.8Å; L112-L121 HydrophobicContact CD1-CD2 4.06Å; L112-L121 HydrophobicContact CD2-CD2 4.38Å; T116-L121 HydrophobicContact CG2-CD1 4.2Å; A118-L121 PolarHBondContact O-N 2.84Å; A119-L121 PolarHBondContact O-N 2.83Å; L121-G123 PolarHBondContact O-N 2.95Å; L121-E124 VanDerWaalsContact O-CB 3.23Å; L121-E124 WeakPolarHBondContact O-CB 3.37Å; L121-E124 PolarHBondContact O-N 3.39Å; L121-L126 HydrophobicContact CD1-CD1 4.17Å
122	I	87.3	Confident	85	Confident	56 Å²	56	50.2 Å²	50.2	29%	0.287	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	129.4	180	-69	170.9	0	0	0	110	N56 V72 A119 E124	N56-I122 HydrophobicContact CB-CD1 4.37Å; V72-I122 HydrophobicContact CB-CD1 4.25Å; V72-I122 HydrophobicContact CB-CG1 3.96Å; V72-I122 HydrophobicContact CG1-CD1 4.14Å; V72-I122 HydrophobicContact CG1-CG1 4.04Å; V72-I122 HydrophobicContact CG2-CG1 4.21Å; A119-I122 HydrophobicContact CB-CD1 4.5Å; A119-I122 WeakPolarHBondContact O-CD1 3.49Å; A119-I122 WeakPolarHBondContact O-CG1 3.46Å; I122-E124 VanDerWaalsContact C-N 3.28Å; I122-E124 PolarHBondContact O-N 2.86Å
123	G	83.6	Confident	83.4	Confident	61 Å²	61	54 Å²	54	63%	0.629	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-13.7	-177.6	0	0	0	0	0	115.1	T57 L121	T57-G123 PolarHBondContact O-N 3.41Å; L121-G123 PolarHBondContact O-N 2.95Å
124	E	88	Confident	81.8	Confident	71 Å²	71	49.8 Å²	49.8	33%	0.332	28%	0.276	S	S	.	.			trans	-75.6	159.4	177.1	-63.5	-78.4	160.1	0	0	112	R59 L121 I122	R59-E124 PolarHBondContact N-O 2.91Å; L121-E124 VanDerWaalsContact O-CB 3.23Å; L121-E124 WeakPolarHBondContact O-CB 3.37Å; L121-E124 PolarHBondContact O-N 3.39Å; I122-E124 VanDerWaalsContact C-N 3.28Å; I122-E124 PolarHBondContact O-N 2.86Å
125	E	89.2	Confident	80.1	Confident	54 Å²	54	50 Å²	50	25%	0.252	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.7	168.9	-58.2	-160.1	151.3	0	0	109.9	R59 F61 L101	R59-E125 HydrophobicContact CB-CG 4.21Å; R59-E125 WeakPolarHBondContact CD-OE1 3.14Å; R59-E125 IonicContact NH1-OE1 3.13Å; R59-E125 PolarHBondContact NH1-OE1 3.4Å; R59-E125 VanDerWaalsContact NH1-OE1 3.13Å; R59-E125 WeakPolarHBondContact O-CA 2.94Å; F61-E125 HydrophobicContact CE2-CB 4.12Å; L101-E125 HydrophobicContact CB-CB 4.4Å; L101-E125 WeakPolarHBondContact CB-O 3.37Å; L101-E125 HydrophobicContact CD1-CB 3.93Å; L101-E125 PolarHBondContact N-O 2.96Å
126	L	91.1	Very high	78.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	145.3	178.3	-55.2	-174.6	0	0	0	110.3	I58 R59 V60 F61 L78 V98 F99 R100 L112 L121	I58-L126 HydrophobicContact CG2-CB 4.48Å; I58-L126 HydrophobicContact CG2-CD1 3.67Å; I58-L126 HydrophobicContact CG2-CG 3.65Å; R59-L126 PolarHBondContact O-N 3.15Å; V60-L126 CarbonylContact C-O 3.54Å; V60-L126 WeakPolarHBondContact CA-O 3.2Å; V60-L126 HydrophobicContact CG1-CB 4.45Å; V60-L126 HydrophobicContact CG2-CB 4.43Å; F61-L126 WeakPolarHBondContact CD2-O 3.4Å; F61-L126 PolarHBondContact N-O 2.95Å; L78-L126 HydrophobicContact CD1-CD1 3.59Å; V98-L126 HydrophobicContact CG1-CB 4.08Å; V98-L126 HydrophobicContact CG1-CD1 4.02Å; F99-L126 CarbonylContact O-C 3.49Å; F99-L126 VanDerWaalsContact O-CA 3.26Å; F99-L126 WeakPolarHBondContact O-CA 3.47Å; R100-L126 HydrophobicContact CB-CD2 4.19Å; R100-L126 HydrophobicContact CG-CD2 4.28Å; L112-L126 HydrophobicContact CD1-CD1 4.32Å; L112-L126 HydrophobicContact CD1-CD2 3.6Å; L121-L126 HydrophobicContact CD1-CD1 4.17Å
127	Q	89.2	Confident	77.4	Confident	47 Å²	47	47.5 Å²	47.5	22%	0.22	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.1	169.5	-178.8	163.6	-10.1	0	0	109.4	F61 V98 F99 L101 D129	F61-Q127 HydrophobicContact CB-CB 4.46Å; F61-Q127 HydrophobicContact CB-CG 4.42Å; F61-Q127 CarbonylContact O-C 3.35Å; F61-Q127 WeakPolarHBondContact O-CA 3.18Å; V98-Q127 CarbonylContact C-O 3.58Å; F99-Q127 PolarHBondContact N-O 3.36Å; F99-Q127 PolarHBondContact O-N 3.33Å; L101-Q127 HydrophobicContact CD1-CB 4.12Å; L101-Q127 HydrophobicContact CD2-CB 4.35Å; L101-Q127 HydrophobicContact CG-CB 4.17Å; Q127-D129 WeakPolarHBondContact CG-OD1 3.34Å; Q127-D129 VanDerWaalsContact NE2-CG 3.27Å; Q127-D129 PolarHBondContact NE2-OD1 3.11Å; Q127-D129 PolarHBondContact NE2-OD2 3.18Å
128	V	86.3	Confident	76.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	112.7	169.3	-176.4	0	0	0	0	106.9	V60 F61 L62 P63 L82 L86 C96 A97 V98	V60-V128 HydrophobicContact CG1-CG2 3.64Å; F61-V128 PolarHBondContact O-N 2.98Å; L62-V128 HydrophobicContact CD2-CB 3.99Å; L62-V128 HydrophobicContact CD2-CG2 3.84Å; P63-V128 WeakPolarHBondContact CD-O 3.37Å; P63-V128 HydrophobicContact CG-CG1 4.4Å; P63-V128 WeakPolarHBondContact CG-O 3.45Å; L82-V128 HydrophobicContact CD1-CG2 4.03Å; L86-V128 HydrophobicContact CD2-CG1 4.18Å; C96-V128 HydrophobicContact CB-CG1 3.61Å; A97-V128 WeakPolarHBondContact O-CA 3.21Å; V98-V128 HydrophobicContact CG1-CG2 4.21Å; V98-V128 HydrophobicContact CG2-CG2 4.18Å
129	D	81.6	Confident	75.9	Confident	42 Å²	42	50.4 Å²	50.4	23%	0.225	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	154.2	173.8	-70.6	-37.1	0	0	0	109.6	C96 A97 F99 K109 Q127	C96-D129 CarbonylContact C-O 3.59Å; C96-D129 WeakPolarHBondContact CA-O 3.44Å; A97-D129 PolarHBondContact N-O 3.29Å; A97-D129 PolarHBondContact O-N 3.08Å; F99-D129 HydrophobicContact CD2-CB 4.24Å; F99-D129 HydrophobicContact CE2-CB 3.93Å; K109-D129 IonicContact NZ-OD2 2.77Å; K109-D129 PolarHBondContact NZ-OD2 2.73Å; Q127-D129 WeakPolarHBondContact CG-OD1 3.34Å; Q127-D129 VanDerWaalsContact NE2-CG 3.27Å; Q127-D129 PolarHBondContact NE2-OD1 3.11Å; Q127-D129 PolarHBondContact NE2-OD2 3.18Å
130	F	75.3	Confident	75.7	Confident	44 Å²	44	51.3 Å²	51.3	19%	0.193	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	146.8	167	-67.7	-67.1	0	0	0	109.6	P63 L91 D132 L136 M183	P63-F130 HydrophobicContact CB-CD2 3.6Å; P63-F130 HydrophobicContact CB-CE1 4.35Å; P63-F130 HydrophobicContact CB-CE2 3.16Å; P63-F130 HydrophobicContact CB-CG 4.36Å; P63-F130 HydrophobicContact CB-CZ 3.6Å; P63-F130 HydrophobicContact CG-CD1 4.4Å; P63-F130 HydrophobicContact CG-CD2 4.04Å; P63-F130 HydrophobicContact CG-CE1 4.26Å; P63-F130 HydrophobicContact CG-CE2 3.87Å; P63-F130 HydrophobicContact CG-CG 4.32Å; P63-F130 HydrophobicContact CG-CZ 3.99Å; L91-F130 HydrophobicContact CD2-CE1 3.49Å; L91-F130 VanDerWaalsContact CD2-CE1 3.49Å; L91-F130 HydrophobicContact CD2-CZ 3.52Å; F130-D132 PolarHBondContact O-N 2.85Å; F130-L136 HydrophobicContact CB-CD1 3.46Å; F130-L136 VanDerWaalsContact CB-CD1 3.46Å; F130-L136 HydrophobicContact CD1-CD1 3.2Å; F130-L136 HydrophobicContact CD1-CG 4.47Å; F130-L136 HydrophobicContact CD2-CD1 3.48Å; F130-L136 VanDerWaalsContact CD2-CD1 3.48Å; F130-L136 HydrophobicContact CE1-CD1 3.6Å; F130-L136 HydrophobicContact CE1-CD2 4.37Å; F130-L136 HydrophobicContact CE2-CD1 3.87Å; F130-L136 HydrophobicContact CG-CD1 3.1Å; F130-L136 HydrophobicContact CZ-CD1 3.93Å; F130-M183 HydrophobicContact CZ-CG 4.24Å
131	L	70.2	Confident	75.7	Confident	19 Å²	19	49.9 Å²	49.9	10%	0.099	28%	0.276	C	S	.	.			trans	-67.6	127.9	170.7	-67.7	162.7	0	0	0	108.9	E94 C95 A97 H133 V134 L194	E94-L131 WeakPolarHBondContact O-CD1 3.37Å; C95-L131 PolarHBondContact O-N 3.14Å; C95-L131 VanDerWaalsContact O-N 3.14Å; A97-L131 HydrophobicContact CB-CD2 3.73Å; A97-L131 HydrophobicContact CB-CG 4.37Å; L131-H133 PolarHBondContact O-N 3.39Å; L131-V134 HydrophobicContact CB-CG2 3.78Å; L131-V134 WeakPolarHBondContact O-CB 3.39Å; L131-V134 PolarHBondContact O-N 2.94Å; L131-L194 HydrophobicContact CD1-CD1 4.5Å; L131-L194 HydrophobicContact CD1-CD2 3.21Å; L131-L194 HydrophobicContact CD1-CG 4.06Å
132	D	58.9	Low	75.7	Confident	161 Å²	161	51.2 Å²	51.2	86%	0.861	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-20.6	-176.9	-61.3	-40.9	0	0	0	114	F130	F130-D132 PolarHBondContact O-N 2.85Å
133	H	55.4	Low	75.9	Confident	97 Å²	97	56.9 Å²	56.9	45%	0.449	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-4.1	-176.2	-70	-22.2	0	0	0	115.1	L131 P135 L193	L131-H133 PolarHBondContact O-N 3.39Å; H133-P135 VanDerWaalsContact O-CD 3.23Å; H133-P135 WeakPolarHBondContact O-CD 3.2Å; H133-L193 HydrophobicContact CB-CB 3.37Å; H133-L193 HydrophobicContact CB-CD1 3.3Å; H133-L193 HydrophobicContact CB-CD2 4.13Å; H133-L193 HydrophobicContact CB-CG 3.7Å; H133-L193 WeakPolarHBondContact O-CD1 3.43Å
134	V	53.7	Low	76.3	Confident	10 Å²	10	58.1 Å²	58.1	6%	0.061	29%	0.293	C	S	.	.	S	Bend	trans	-100.7	102.1	-178.1	180	0	0	0	0	106.2	C95 L131 L136 I190	C95-V134 HydrophobicContact CB-CG1 4.45Å; L131-V134 HydrophobicContact CB-CG2 3.78Å; L131-V134 WeakPolarHBondContact O-CB 3.39Å; L131-V134 PolarHBondContact O-N 2.94Å; V134-L136 HydrophobicContact CB-CD1 4.42Å; V134-L136 HydrophobicContact CB-CG 4.21Å; V134-L136 HydrophobicContact CG1-CD1 4.05Å; V134-L136 HydrophobicContact CG1-CD2 3.65Å; V134-L136 HydrophobicContact CG1-CG 3.53Å; V134-L136 WeakPolarHBondContact O-CG 3.19Å; V134-L136 PolarHBondContact O-N 3.21Å; V134-I190 HydrophobicContact CB-CD1 4.39Å; V134-I190 HydrophobicContact CB-CG1 3.99Å; V134-I190 HydrophobicContact CG1-CD1 3.34Å; V134-I190 HydrophobicContact CG1-CG1 3.46Å; V134-I190 VanDerWaalsContact CG1-CG1 3.46Å; V134-I190 HydrophobicContact CG2-CB 4.43Å; V134-I190 HydrophobicContact CG2-CG1 3.95Å; V134-I190 HydrophobicContact CG2-CG2 4.07Å
135	P	52.2	Low	76.5	Confident	53 Å²	53	58.5 Å²	58.5	34%	0.344	30%	0.3	S	S	.	.			trans	-69.7	90.1	176.7	25.9	-29.6	0	0	0	108.2	H133 T137 N189	H133-P135 VanDerWaalsContact O-CD 3.23Å; H133-P135 WeakPolarHBondContact O-CD 3.2Å; P135-T137 PolarHBondContact O-N 3.02Å; P135-N189 HydrophobicContact CG-CB 3.7Å; P135-N189 WeakPolarHBondContact CG-ND2 3.42Å
136	L	54.6	Low	76.4	Confident	46 Å²	46	56.3 Å²	56.3	24%	0.241	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	103.5	-179.5	-75.8	165.7	0	0	0	107.7	F130 V134 M183	F130-L136 HydrophobicContact CB-CD1 3.46Å; F130-L136 VanDerWaalsContact CB-CD1 3.46Å; F130-L136 HydrophobicContact CD1-CD1 3.2Å; F130-L136 HydrophobicContact CD1-CG 4.47Å; F130-L136 HydrophobicContact CD2-CD1 3.48Å; F130-L136 VanDerWaalsContact CD2-CD1 3.48Å; F130-L136 HydrophobicContact CE1-CD1 3.6Å; F130-L136 HydrophobicContact CE1-CD2 4.37Å; F130-L136 HydrophobicContact CE2-CD1 3.87Å; F130-L136 HydrophobicContact CG-CD1 3.1Å; F130-L136 HydrophobicContact CZ-CD1 3.93Å; V134-L136 HydrophobicContact CB-CD1 4.42Å; V134-L136 HydrophobicContact CB-CG 4.21Å; V134-L136 HydrophobicContact CG1-CD1 4.05Å; V134-L136 HydrophobicContact CG1-CD2 3.65Å; V134-L136 HydrophobicContact CG1-CG 3.53Å; V134-L136 WeakPolarHBondContact O-CG 3.19Å; V134-L136 PolarHBondContact O-N 3.21Å; L136-M183 HydrophobicContact CB-CE 3.58Å; L136-M183 HydrophobicContact CD1-CE 4.42Å; L136-M183 HydrophobicContact CD2-CB 3.73Å; L136-M183 HydrophobicContact CD2-CE 3.89Å; L136-M183 HydrophobicContact CD2-CG 3.99Å; L136-M183 HydrophobicContact CG-CE 4.16Å
137	T	64.6	Low	76.2	Confident	63 Å²	63	63 Å²	63	39%	0.387	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	150.1	167	55.4	0	0	0	0	108.7	P135 C184	P135-T137 PolarHBondContact O-N 3.02Å; T137-C184 WeakPolarHBondContact O-CA 3.28Å; T137-C184 WeakPolarHBondContact O-CB 3.29Å; T137-C184 PolarHBondContact O-N 2.98Å; T137-C184 WeakPolarHBondContact OG1-CB 3.49Å; T137-C184 PolarHBondContact OG1-O 2.87Å
138	T	71	Confident	76	Confident	112 Å²	112	65.3 Å²	65.3	69%	0.687	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	148.4	164	48.2	0	0	0	0	108.6	N140	T138-N140 PolarHBondContact O-N 3.3Å
139	H	77.2	Confident	76	Confident	25 Å²	25	69.2 Å²	69.2	12%	0.116	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-65.8	122.6	174.2	-77.9	-79	0	0	0	110.7	F141 C165 C168 P181 M183 C184	H139-F141 HydrophobicContact CB-CD1 4.14Å; H139-F141 HydrophobicContact CB-CD2 3.62Å; H139-F141 HydrophobicContact CB-CE1 3.7Å; H139-F141 HydrophobicContact CB-CE2 3.14Å; H139-F141 HydrophobicContact CB-CG 4.09Å; H139-F141 HydrophobicContact CB-CZ 3.17Å; H139-F141 AromaticContact CD2-CE2 3.98Å; H139-F141 AromaticContact CD2-CZ 3.52Å; H139-F141 AromaticContact CG-CE1 3.74Å; H139-F141 AromaticContact CG-CE2 3.64Å; H139-F141 AromaticContact CG-CZ 3.16Å; H139-F141 AromaticContact ND1-CE1 3.69Å; H139-F141 AromaticContact ND1-CZ 3.54Å; H139-F141 PolarHBondContact O-N 3.34Å; H139-C165 PolarHBondContact ND1-SG 3.14Å; H139-C168 PolarHBondContact CE1-SG 3.34Å; H139-P181 PolarHBondContact CD2-O 3.32Å; H139-P181 VanDerWaalsContact CD2-O 3.27Å; H139-P181 PolarHBondContact NE2-O 3.17Å; H139-M183 PolarHBondContact NE2-O 2.9Å; H139-M183 VanDerWaalsContact NE2-O 3.08Å; H139-C184 HydrophobicContact CB-CB 4.33Å
140	N	82.9	Confident	76.4	Confident	41 Å²	41	67.3 Å²	67.3	22%	0.219	35%	0.345	C	S	.	.			trans	-84.4	86.7	164.8	-178.4	6.1	0	0	0	109.4	T138 C165 Q166	T138-N140 PolarHBondContact O-N 3.3Å; N140-C165 CarbonylContact O-C 3.58Å; N140-C165 WeakPolarHBondContact O-CA 3.35Å; N140-Q166 PolarHBondContact ND2-OE1 3.4Å; N140-Q166 PolarHBondContact O-N 3.27Å
141	F	88.8	Confident	77.1	Confident	45 Å²	45	66.6 Å²	66.6	20%	0.197	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	133.1	179.3	-66.6	-58.7	0	0	0	111.8	H139 C165 F172 V180 A628	H139-F141 HydrophobicContact CB-CD1 4.14Å; H139-F141 HydrophobicContact CB-CD2 3.62Å; H139-F141 HydrophobicContact CB-CE1 3.7Å; H139-F141 HydrophobicContact CB-CE2 3.14Å; H139-F141 HydrophobicContact CB-CG 4.09Å; H139-F141 HydrophobicContact CB-CZ 3.17Å; H139-F141 AromaticContact CD2-CE2 3.98Å; H139-F141 AromaticContact CD2-CZ 3.52Å; H139-F141 AromaticContact CG-CE1 3.74Å; H139-F141 AromaticContact CG-CE2 3.64Å; H139-F141 AromaticContact CG-CZ 3.16Å; H139-F141 AromaticContact ND1-CE1 3.69Å; H139-F141 AromaticContact ND1-CZ 3.54Å; H139-F141 PolarHBondContact O-N 3.34Å; F141-C165 HydrophobicContact CD1-CB 3.74Å; F141-C165 HydrophobicContact CE1-CB 3.63Å; F141-F172 AromaticContact CD1-CE1 3.67Å; F141-F172 HydrophobicContact CD1-CE1 3.67Å; F141-F172 HydrophobicContact CD1-CZ 4.38Å; F141-F172 HydrophobicContact CD2-CE1 4.46Å; F141-F172 HydrophobicContact CE1-CD1 4.28Å; F141-F172 AromaticContact CE1-CE1 3.49Å; F141-F172 HydrophobicContact CE1-CE1 3.49Å; F141-F172 VanDerWaalsContact CE1-CE1 3.49Å; F141-F172 HydrophobicContact CE1-CZ 4.38Å; F141-F172 HydrophobicContact CE2-CE1 4.28Å; F141-F172 HydrophobicContact CE2-CZ 4.47Å; F141-F172 HydrophobicContact CG-CE1 4.18Å; F141-F172 HydrophobicContact CG-CZ 4.46Å; F141-F172 AromaticContact CZ-CE1 3.83Å; F141-F172 HydrophobicContact CZ-CE1 3.83Å; F141-F172 HydrophobicContact CZ-CZ 4.43Å; F141-V180 HydrophobicContact CE1-CG1 4.36Å; F141-V180 HydrophobicContact CE2-CG1 4Å; F141-V180 HydrophobicContact CZ-CG1 3.44Å; F141-V180 VanDerWaalsContact CZ-CG1 3.44Å; F141-A628 VanDerWaalsContact O-CB 3.27Å; F141-A628 WeakPolarHBondContact O-CB 3.29Å
142	A	88.2	Confident	78.1	Confident	29 Å²	29	65.7 Å²	65.7	24%	0.24	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.5	168.6	0	0	0	0	0	110	K144 F163 R164 Q166	A142-K144 PolarHBondContact O-N 3.27Å; A142-F163 WeakPolarHBondContact O-CA 3.32Å; A142-R164 PolarHBondContact N-O 3.15Å; A142-R164 PolarHBondContact O-N 3.33Å; A142-Q166 HydrophobicContact CB-CG 4.06Å
143	R	93	Very high	79.5	Confident	175 Å²	175	59.5 Å²	59.5	66%	0.66	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.2	132	170.6	-151.7	176	-149.6	178.7	7.8	108.4	G162 F163 E174	R143-G162 CarbonylContact C-O 3.45Å; R143-G162 WeakPolarHBondContact CA-O 3.29Å; R143-F163 HydrophobicContact CB-CD1 4.4Å; R143-F163 HydrophobicContact CB-CE1 4.27Å; R143-F163 HydrophobicContact CG-CD1 4.5Å; R143-F163 HydrophobicContact CG-CE1 4.18Å; R143-E174 IonicContact CZ-OE2 3.65Å; R143-E174 IonicContact NH2-OE1 3.04Å; R143-E174 IonicContact NH2-OE2 2.89Å; R143-E174 PolarHBondContact NH2-OE2 3.27Å
144	K	90.4	Very high	81	Confident	86 Å²	86	56.8 Å²	56.8	37%	0.374	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	134.2	-175.9	-171.7	169.3	-177.3	171.8	0	110.8	A142 F146 G162 R164	A142-K144 PolarHBondContact O-N 3.27Å; K144-F146 HydrophobicContact CB-CE2 4.09Å; K144-F146 HydrophobicContact CB-CZ 4.28Å; K144-F146 HydrophobicContact CD-CD1 4.44Å; K144-F146 HydrophobicContact CD-CE1 4.05Å; K144-F146 HydrophobicContact CD-CZ 4.16Å; K144-F146 HydrophobicContact CG-CD2 4.5Å; K144-F146 HydrophobicContact CG-CE2 4.31Å; K144-F146 HydrophobicContact CG-CZ 4.33Å; K144-G162 PolarHBondContact N-O 2.75Å; K144-G162 PolarHBondContact O-N 2.96Å; K144-G162 VanDerWaalsContact O-N 3.16Å; K144-R164 HydrophobicContact CB-CB 4.38Å; K144-R164 HydrophobicContact CD-CB 4.26Å
145	T	92.2	Very high	82.7	Confident	79 Å²	79	58.4 Å²	58.4	49%	0.485	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124.7	163.5	-59.8	0	0	0	0	108.6	L147 L160 N161	T145-L147 HydrophobicContact CG2-CD2 4.17Å; T145-L160 CarbonylContact C-O 3.39Å; T145-L160 WeakPolarHBondContact CA-O 3.43Å; T145-N161 WeakPolarHBondContact CB-OD1 3.4Å; T145-N161 VanDerWaalsContact CG2-OD1 3.31Å; T145-N161 WeakPolarHBondContact CG2-OD1 3.24Å; T145-N161 PolarHBondContact OG1-OD1 2.66Å
146	F	88.8	Confident	84.4	Confident	9 Å²	9	58.7 Å²	58.7	4%	0.039	30%	0.3	C	S	.	.			trans	-95.7	101.3	-179.4	-63.7	-96.4	0	0	0	108.8	K144 K148 A150 L159 L160 R164 K171	K144-F146 HydrophobicContact CB-CE2 4.09Å; K144-F146 HydrophobicContact CB-CZ 4.28Å; K144-F146 HydrophobicContact CD-CD1 4.44Å; K144-F146 HydrophobicContact CD-CE1 4.05Å; K144-F146 HydrophobicContact CD-CZ 4.16Å; K144-F146 HydrophobicContact CG-CD2 4.5Å; K144-F146 HydrophobicContact CG-CE2 4.31Å; K144-F146 HydrophobicContact CG-CZ 4.33Å; F146-K148 VanDerWaalsContact C-N 3.26Å; F146-A150 HydrophobicContact CB-CB 3.89Å; F146-A150 HydrophobicContact CD1-CB 3.61Å; F146-A150 HydrophobicContact CE1-CB 4.29Å; F146-A150 HydrophobicContact CG-CB 3.83Å; F146-L159 WeakPolarHBondContact CB-O 3.15Å; F146-L159 HydrophobicContact CD2-CD2 4Å; F146-L159 HydrophobicContact CD2-CG 3.87Å; F146-L159 HydrophobicContact CE2-CD2 3.5Å; F146-L159 VanDerWaalsContact CE2-CD2 3.5Å; F146-L159 HydrophobicContact CE2-CG 3.83Å; F146-L159 HydrophobicContact CZ-CD2 3.83Å; F146-L160 PolarHBondContact N-O 2.89Å; F146-R164 HydrophobicContact CZ-CB 4.05Å; F146-K171 HydrophobicContact CE1-CB 4.36Å; F146-K171 HydrophobicContact CE1-CD 4.21Å; F146-K171 HydrophobicContact CZ-CB 3.86Å
147	L	86.6	Confident	86.2	Confident	140 Å²	140	63.5 Å²	63.5	73%	0.733	32%	0.319	S	S	*	.	S	Bend	trans	-75.1	-18.6	176.8	-59.9	178.2	0	0	0	112.9	T145	T145-L147 HydrophobicContact CG2-CD2 4.17Å
148	K	84	Confident	87.4	Confident	95 Å²	95	63 Å²	63	41%	0.413	31%	0.312	S	S	.	.	S	Bend	trans	-101.3	155	171.9	-65.8	-171.2	175.7	-173	0	109.7	F146 A150 H611	F146-K148 VanDerWaalsContact C-N 3.26Å; K148-A150 PolarHBondContact O-N 3.15Å; K148-A150 VanDerWaalsContact O-N 3.16Å; K148-H611 PolarHBondContact NZ-CD2 2.9Å; K148-H611 PolarHBondContact NZ-CE1 3.04Å; K148-H611 VanDerWaalsContact NZ-CE1 3.33Å; K148-H611 PolarHBondContact NZ-ND1 3.13Å; K148-H611 PolarHBondContact NZ-NE2 3.04Å
149	L	86.4	Confident	88.4	Confident	83 Å²	83	57.7 Å²	57.7	44%	0.435	28%	0.279	S	S	.	.			trans	-52.1	121.3	176.3	-173.6	68.8	0	0	0	110.1	F151 F158 S604	L149-F151 HydrophobicContact CD1-CE2 4.32Å; L149-F151 HydrophobicContact CD1-CZ 4.14Å; L149-F151 HydrophobicContact CD2-CE2 3.97Å; L149-F151 HydrophobicContact CD2-CZ 4.12Å; L149-F151 HydrophobicContact CG-CE2 3.84Å; L149-F151 HydrophobicContact CG-CZ 4.12Å; L149-F158 HydrophobicContact CD1-CD2 3.62Å; L149-F158 HydrophobicContact CD1-CE2 3.73Å; L149-S604 PolarHBondContact O-OG 2.9Å
150	A	89.8	Confident	89.1	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.008	30%	0.295	C	S	.	.			trans	-142.1	153.8	178.3	0	0	0	0	0	109.4	F146 K148 L159	F146-A150 HydrophobicContact CB-CB 3.89Å; F146-A150 HydrophobicContact CD1-CB 3.61Å; F146-A150 HydrophobicContact CE1-CB 4.29Å; F146-A150 HydrophobicContact CG-CB 3.83Å; K148-A150 PolarHBondContact O-N 3.15Å; K148-A150 VanDerWaalsContact O-N 3.16Å; A150-L159 HydrophobicContact CB-CB 4.49Å; A150-L159 PolarHBondContact O-N 3.36Å
151	F	91	Very high	89.6	Confident	30 Å²	30	62.9 Å²	62.9	13%	0.132	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-123.3	150.4	179	-62.6	-90.4	0	0	0	110.4	L149 K157 K171 Q601	L149-F151 HydrophobicContact CD1-CE2 4.32Å; L149-F151 HydrophobicContact CD1-CZ 4.14Å; L149-F151 HydrophobicContact CD2-CE2 3.97Å; L149-F151 HydrophobicContact CD2-CZ 4.12Å; L149-F151 HydrophobicContact CG-CE2 3.84Å; L149-F151 HydrophobicContact CG-CZ 4.12Å; F151-K157 CarbonylContact C-O 3.52Å; F151-K157 WeakPolarHBondContact CA-O 3.48Å; F151-K171 WeakPolarHBondContact O-CE 3.32Å; F151-K171 WeakPolarHBondContact O-CG 3.03Å; F151-Q601 HydrophobicContact CB-CG 4.07Å; F151-Q601 HydrophobicContact CD1-CG 3.85Å; F151-Q601 HydrophobicContact CD2-CB 4.25Å; F151-Q601 HydrophobicContact CD2-CG 3.92Å; F151-Q601 HydrophobicContact CE1-CG 4.26Å; F151-Q601 HydrophobicContact CE2-CG 4.32Å; F151-Q601 HydrophobicContact CG-CB 4.4Å; F151-Q601 HydrophobicContact CG-CG 3.67Å; F151-Q601 HydrophobicContact CZ-CG 4.48Å
152	C	91.3	Very high	89.8	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.299	C	S	.	.			trans	-73.4	129.6	172.6	170.2	0	0	0	0	110.3	I154 C155 Q156 K157 F172 H173	C152-I154 PolarHBondContact O-N 3.27Å; C152-I154 PolarHBondContact SG-N 2.77Å; C152-I154 VanDerWaalsContact SG-N 3.37Å; C152-C155 VanDerWaalsContact CB-SG 3.58Å; C152-Q156 WeakPolarHBondContact O-CA 3.4Å; C152-Q156 PolarHBondContact O-N 3.02Å; C152-K157 PolarHBondContact N-O 3.17Å; C152-F172 VanDerWaalsContact SG-CA 3.54Å; C152-H173 VanDerWaalsContact CB-CE1 3.41Å; C152-H173 WeakPolarHBondContact CB-CE1 3.2Å; C152-H173 WeakPolarHBondContact CB-ND1 3.13Å
153	D	87.6	Confident	90	Very high	30 Å²	30	61.7 Å²	61.7	16%	0.16	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-4.5	-179.5	-63.7	-21.6	0	0	0	113.4	Q156 Y170 K171	D153-Q156 PolarHBondContact O-NE2 2.96Å; D153-Y170 HydrophobicContact CB-CD2 4.01Å; D153-Y170 HydrophobicContact CB-CE1 4.23Å; D153-Y170 HydrophobicContact CB-CE2 3.55Å; D153-Y170 WeakPolarHBondContact OD2-CA 3.43Å; D153-Y170 WeakPolarHBondContact OD2-CD2 3.42Å; D153-K171 WeakPolarHBondContact CB-O 3.48Å; D153-K171 PolarHBondContact N-O 3.46Å; D153-K171 WeakPolarHBondContact OD1-CG 3.23Å; D153-K171 IonicContact OD1-NZ 3.62Å; D153-K171 PolarHBondContact OD1-NZ 3.17Å; D153-K171 WeakPolarHBondContact OD2-CG 3.3Å; D153-K171 PolarHBondContact OD2-N 2.85Å; D153-K171 IonicContact OD2-NZ 2.72Å
154	I	87.7	Confident	89.8	Confident	41 Å²	41	57.1 Å²	57.1	21%	0.21	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-62.2	-179.4	-61.4	172.2	0	0	0	110.4	C152 Y170 F172 C176 K179 V180	C152-I154 PolarHBondContact O-N 3.27Å; C152-I154 PolarHBondContact SG-N 2.77Å; C152-I154 VanDerWaalsContact SG-N 3.37Å; I154-Y170 HydrophobicContact CD1-CE1 4.24Å; I154-Y170 HydrophobicContact CG1-CE1 4.19Å; I154-Y170 VanDerWaalsContact CG1-OH 3.29Å; I154-Y170 WeakPolarHBondContact CG1-OH 3.27Å; I154-F172 HydrophobicContact CD1-CB 3.89Å; I154-F172 HydrophobicContact CD1-CG 4.41Å; I154-F172 HydrophobicContact CG1-CB 4.44Å; I154-C176 HydrophobicContact CB-CB 4.14Å; I154-C176 HydrophobicContact CD1-CB 3.88Å; I154-C176 WeakPolarHBondContact CD1-O 3.29Å; I154-C176 HydrophobicContact CG2-CB 4.2Å; I154-K179 HydrophobicContact CD1-CB 4.08Å; I154-K179 HydrophobicContact CG2-CB 3.74Å; I154-K179 HydrophobicContact CG2-CD 3.76Å; I154-K179 HydrophobicContact CG2-CG 4.4Å; I154-V180 HydrophobicContact CD1-CB 4.37Å; I154-V180 HydrophobicContact CD1-CG2 3.53Å
155	C	89.3	Confident	89.5	Confident	44 Å²	44	53 Å²	53	30%	0.297	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-6.8	-175.6	74.2	0	0	0	0	113.6	C152 K157 H173	C152-C155 VanDerWaalsContact CB-SG 3.58Å; C155-K157 PolarHBondContact O-N 3.22Å; C155-K157 VanDerWaalsContact O-N 3.09Å; C155-H173 PolarHBondContact SG-CE1 3.08Å; C155-H173 PolarHBondContact SG-ND1 3.22Å
156	Q	87.7	Confident	89	Confident	59 Å²	59	52.3 Å²	52.3	28%	0.276	25%	0.253	S	S	.	.			trans	59.2	17.6	179.7	-58.9	-64.7	-25	0	0	114.8	C152 D153 Q601	C152-Q156 WeakPolarHBondContact O-CA 3.4Å; C152-Q156 PolarHBondContact O-N 3.02Å; D153-Q156 PolarHBondContact O-NE2 2.96Å; Q156-Q601 PolarHBondContact O-NE2 3.28Å; Q156-Q601 VanDerWaalsContact O-NE2 3.14Å
157	K	90.8	Very high	88.2	Confident	147 Å²	147	55 Å²	55	64%	0.639	27%	0.271	S	S	*	.	S	Bend	trans	-96.1	160.6	175.5	-60.4	-179.8	-178.6	-178.6	0	111.8	F151 C152 C155 L159	F151-K157 CarbonylContact C-O 3.52Å; F151-K157 WeakPolarHBondContact CA-O 3.48Å; C152-K157 PolarHBondContact N-O 3.17Å; C155-K157 PolarHBondContact O-N 3.22Å; C155-K157 VanDerWaalsContact O-N 3.09Å; K157-L159 PolarHBondContact O-N 2.75Å
158	F	91.5	Very high	87.6	Confident	53 Å²	53	49.1 Å²	49.1	23%	0.232	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-50.9	132	178	177	-110	0	0	0	112.5	L149 L160 H173 T258	L149-F158 HydrophobicContact CD1-CD2 3.62Å; L149-F158 HydrophobicContact CD1-CE2 3.73Å; F158-L160 HydrophobicContact CE1-CB 3.76Å; F158-L160 HydrophobicContact CZ-CB 4.19Å; F158-L160 HydrophobicContact CZ-CD1 4.45Å; F158-H173 PolarHBondContact O-CE1 3.37Å; F158-H173 PolarHBondContact O-NE2 3.45Å; F158-T258 HydrophobicContact CD1-CG2 4.04Å
159	L	91.1	Very high	87.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.23	C	C	.	.			trans	-120.1	100.2	-175.6	179.8	65.5	0	0	0	110	F146 A150 K157 N161 K171 H173	F146-L159 WeakPolarHBondContact CB-O 3.15Å; F146-L159 HydrophobicContact CD2-CD2 4Å; F146-L159 HydrophobicContact CD2-CG 3.87Å; F146-L159 HydrophobicContact CE2-CD2 3.5Å; F146-L159 VanDerWaalsContact CE2-CD2 3.5Å; F146-L159 HydrophobicContact CE2-CG 3.83Å; F146-L159 HydrophobicContact CZ-CD2 3.83Å; A150-L159 HydrophobicContact CB-CB 4.49Å; A150-L159 PolarHBondContact O-N 3.36Å; K157-L159 PolarHBondContact O-N 2.75Å; L159-N161 WeakPolarHBondContact CD1-O 3.16Å; L159-K171 HydrophobicContact CD2-CB 3.84Å; L159-K171 HydrophobicContact CD2-CG 4.27Å; L159-H173 HydrophobicContact CD1-CB 4.38Å; L159-H173 WeakPolarHBondContact CD1-CD2 3.39Å
160	L	92.2	Very high	87.3	Confident	84 Å²	84	43 Å²	43	44%	0.44	22%	0.215	S	C	.	.	S	Bend	trans	-87.1	-51.9	172.4	-178.7	62.4	0	0	0	111.6	T145 F146 F158	T145-L160 CarbonylContact C-O 3.39Å; T145-L160 WeakPolarHBondContact CA-O 3.43Å; F146-L160 PolarHBondContact N-O 2.89Å; F158-L160 HydrophobicContact CE1-CB 3.76Å; F158-L160 HydrophobicContact CZ-CB 4.19Å; F158-L160 HydrophobicContact CZ-CD1 4.45Å
161	N	92.6	Very high	87.3	Confident	91 Å²	91	43.8 Å²	43.8	49%	0.487	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134.9	178.7	-69	-35.7	0	0	0	109.5	T145 L159	T145-N161 WeakPolarHBondContact CB-OD1 3.4Å; T145-N161 VanDerWaalsContact CG2-OD1 3.31Å; T145-N161 WeakPolarHBondContact CG2-OD1 3.24Å; T145-N161 PolarHBondContact OG1-OD1 2.66Å; L159-N161 WeakPolarHBondContact CD1-O 3.16Å
162	G	92.8	Very high	87.4	Confident	2 Å²	2	42.7 Å²	42.7	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.9	-145.5	174.4	0	0	0	0	0	111.5	R143 K144 F172	R143-G162 CarbonylContact C-O 3.45Å; R143-G162 WeakPolarHBondContact CA-O 3.29Å; K144-G162 PolarHBondContact N-O 2.75Å; K144-G162 PolarHBondContact O-N 2.96Å; K144-G162 VanDerWaalsContact O-N 3.16Å; G162-F172 WeakPolarHBondContact CA-O 3.22Å
163	F	92.5	Very high	87.5	Confident	46 Å²	46	43.8 Å²	43.8	20%	0.202	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	148.4	-177	-62.6	-87.4	0	0	0	110.3	A142 R143 K171 F172 E174	A142-F163 WeakPolarHBondContact O-CA 3.32Å; R143-F163 HydrophobicContact CB-CD1 4.4Å; R143-F163 HydrophobicContact CB-CE1 4.27Å; R143-F163 HydrophobicContact CG-CD1 4.5Å; R143-F163 HydrophobicContact CG-CE1 4.18Å; F163-K171 VanDerWaalsContact O-CA 3.26Å; F163-K171 WeakPolarHBondContact O-CA 3.49Å; F163-F172 HydrophobicContact CB-CD1 4.09Å; F163-F172 HydrophobicContact CB-CE1 3.46Å; F163-F172 VanDerWaalsContact CB-CE1 3.46Å; F163-F172 HydrophobicContact CB-CE2 4.03Å; F163-F172 HydrophobicContact CB-CZ 3.41Å; F163-F172 VanDerWaalsContact CB-CZ 3.41Å; F163-F172 HydrophobicContact CD2-CD2 4.49Å; F163-F172 AromaticContact CD2-CE2 3.75Å; F163-F172 HydrophobicContact CD2-CE2 3.75Å; F163-F172 AromaticContact CD2-CZ 3.89Å; F163-F172 HydrophobicContact CD2-CZ 3.89Å; F163-F172 HydrophobicContact CG-CE1 4.36Å; F163-F172 HydrophobicContact CG-CE2 4.18Å; F163-F172 AromaticContact CG-CZ 3.82Å; F163-F172 HydrophobicContact CG-CZ 3.82Å; F163-F172 PolarHBondContact N-O 3.25Å; F163-F172 PolarHBondContact O-N 3.24Å; F163-E174 HydrophobicContact CE2-CB 3.87Å; F163-E174 HydrophobicContact CE2-CG 3.92Å
164	R	89.2	Confident	87.7	Confident	79 Å²	79	47.5 Å²	47.5	30%	0.298	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	129.9	171.7	-174.8	179.2	174.5	-91.2	4	109.8	A142 K144 F146 Q166 Y170	A142-R164 PolarHBondContact N-O 3.15Å; A142-R164 PolarHBondContact O-N 3.33Å; K144-R164 HydrophobicContact CB-CB 4.38Å; K144-R164 HydrophobicContact CD-CB 4.26Å; F146-R164 HydrophobicContact CZ-CB 4.05Å; R164-Q166 PolarHBondContact O-N 2.93Å; R164-Y170 CarbonylContact C-O 3.57Å; R164-Y170 VanDerWaalsContact CA-O 3.29Å; R164-Y170 WeakPolarHBondContact CA-O 3.27Å
165	C	85.3	Confident	87.9	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	125.8	169.6	-176.1	0	0	0	0	109.4	H139 N140 F141 T167 C168 G169 Y170	H139-C165 PolarHBondContact ND1-SG 3.14Å; N140-C165 CarbonylContact O-C 3.58Å; N140-C165 WeakPolarHBondContact O-CA 3.35Å; F141-C165 HydrophobicContact CD1-CB 3.74Å; F141-C165 HydrophobicContact CE1-CB 3.63Å; C165-T167 VanDerWaalsContact C-N 3.28Å; C165-T167 PolarHBondContact O-N 3.1Å; C165-T167 PolarHBondContact SG-N 2.84Å; C165-C168 VanDerWaalsContact CB-SG 3.58Å; C165-G169 WeakPolarHBondContact O-CA 3.38Å; C165-G169 PolarHBondContact O-N 3.08Å; C165-Y170 PolarHBondContact N-O 3.47Å
166	Q	80.6	Confident	88	Confident	64 Å²	64	48.8 Å²	48.8	30%	0.299	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-30.3	177.5	-63.1	-169.1	-7.4	0	0	112	N140 A142 R164 S624	N140-Q166 PolarHBondContact ND2-OE1 3.4Å; N140-Q166 PolarHBondContact O-N 3.27Å; A142-Q166 HydrophobicContact CB-CG 4.06Å; R164-Q166 PolarHBondContact O-N 2.93Å; Q166-S624 PolarHBondContact NE2-OG 3.48Å; Q166-S624 PolarHBondContact OE1-O 2.85Å
167	T	72.8	Confident	88	Confident	67 Å²	67	48.9 Å²	48.9	41%	0.411	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-56.9	-177.9	-43.4	0	0	0	0	112.8	C165	C165-T167 VanDerWaalsContact C-N 3.28Å; C165-T167 PolarHBondContact O-N 3.1Å; C165-T167 PolarHBondContact SG-N 2.84Å
168	C	73.4	Confident	87.7	Confident	15 Å²	15	47.8 Å²	47.8	10%	0.101	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-4.8	-175.1	70	0	0	0	0	113.9	H139 C165 Y170 C184 R583	H139-C168 PolarHBondContact CE1-SG 3.34Å; C165-C168 VanDerWaalsContact CB-SG 3.58Å; C168-Y170 VanDerWaalsContact C-N 3.26Å; C168-Y170 PolarHBondContact O-N 2.88Å; C168-C184 VanDerWaalsContact CB-SG 3.58Å; C168-R583 PolarHBondContact O-NH1 2.8Å; C168-R583 PolarHBondContact SG-NH2 2.86Å
169	G	80.4	Confident	87.3	Confident	17 Å²	17	52.7 Å²	52.7	18%	0.175	27%	0.27	C	S	.	.			trans	76.3	1.8	178.9	0	0	0	0	0	116.1	C165 K171	C165-G169 WeakPolarHBondContact O-CA 3.38Å; C165-G169 PolarHBondContact O-N 3.08Å; G169-K171 PolarHBondContact O-N 3.34Å
170	Y	83.9	Confident	86.8	Confident	33 Å²	33	53.6 Å²	53.6	13%	0.129	28%	0.276	C	S	.	.			trans	-58.1	128.3	-178.4	-162.9	-99.2	0	0	0	111	D153 I154 R164 C165 C168 F172 V180	D153-Y170 HydrophobicContact CB-CD2 4.01Å; D153-Y170 HydrophobicContact CB-CE1 4.23Å; D153-Y170 HydrophobicContact CB-CE2 3.55Å; D153-Y170 WeakPolarHBondContact OD2-CA 3.43Å; D153-Y170 WeakPolarHBondContact OD2-CD2 3.42Å; I154-Y170 HydrophobicContact CD1-CE1 4.24Å; I154-Y170 HydrophobicContact CG1-CE1 4.19Å; I154-Y170 VanDerWaalsContact CG1-OH 3.29Å; I154-Y170 WeakPolarHBondContact CG1-OH 3.27Å; R164-Y170 CarbonylContact C-O 3.57Å; R164-Y170 VanDerWaalsContact CA-O 3.29Å; R164-Y170 WeakPolarHBondContact CA-O 3.27Å; C165-Y170 PolarHBondContact N-O 3.47Å; C168-Y170 VanDerWaalsContact C-N 3.26Å; C168-Y170 PolarHBondContact O-N 2.88Å; Y170-F172 HydrophobicContact CD1-CD1 4.24Å; Y170-V180 HydrophobicContact CD1-CG1 4.24Å; Y170-V180 HydrophobicContact CE1-CG1 4.13Å
171	K	89.9	Confident	86.1	Confident	17 Å²	17	51.9 Å²	51.9	7%	0.074	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131	-167.4	56.3	-173.7	-169.7	-47.4	0	112.2	F146 F151 D153 L159 F163 G169	F146-K171 HydrophobicContact CE1-CB 4.36Å; F146-K171 HydrophobicContact CE1-CD 4.21Å; F146-K171 HydrophobicContact CZ-CB 3.86Å; F151-K171 WeakPolarHBondContact O-CE 3.32Å; F151-K171 WeakPolarHBondContact O-CG 3.03Å; D153-K171 WeakPolarHBondContact CB-O 3.48Å; D153-K171 PolarHBondContact N-O 3.46Å; D153-K171 WeakPolarHBondContact OD1-CG 3.23Å; D153-K171 IonicContact OD1-NZ 3.62Å; D153-K171 PolarHBondContact OD1-NZ 3.17Å; D153-K171 WeakPolarHBondContact OD2-CG 3.3Å; D153-K171 PolarHBondContact OD2-N 2.85Å; D153-K171 IonicContact OD2-NZ 2.72Å; L159-K171 HydrophobicContact CD2-CB 3.84Å; L159-K171 HydrophobicContact CD2-CG 4.27Å; F163-K171 VanDerWaalsContact O-CA 3.26Å; F163-K171 WeakPolarHBondContact O-CA 3.49Å; G169-K171 PolarHBondContact O-N 3.34Å
172	F	92.8	Very high	85	Confident	8 Å²	8	51 Å²	51	4%	0.035	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	157	-174.9	65.8	-78.8	0	0	0	113.8	F141 C152 I154 G162 F163 Y170 C176 V180	F141-F172 AromaticContact CD1-CE1 3.67Å; F141-F172 HydrophobicContact CD1-CE1 3.67Å; F141-F172 HydrophobicContact CD1-CZ 4.38Å; F141-F172 HydrophobicContact CD2-CE1 4.46Å; F141-F172 HydrophobicContact CE1-CD1 4.28Å; F141-F172 AromaticContact CE1-CE1 3.49Å; F141-F172 HydrophobicContact CE1-CE1 3.49Å; F141-F172 VanDerWaalsContact CE1-CE1 3.49Å; F141-F172 HydrophobicContact CE1-CZ 4.38Å; F141-F172 HydrophobicContact CE2-CE1 4.28Å; F141-F172 HydrophobicContact CE2-CZ 4.47Å; F141-F172 HydrophobicContact CG-CE1 4.18Å; F141-F172 HydrophobicContact CG-CZ 4.46Å; F141-F172 AromaticContact CZ-CE1 3.83Å; F141-F172 HydrophobicContact CZ-CE1 3.83Å; F141-F172 HydrophobicContact CZ-CZ 4.43Å; C152-F172 VanDerWaalsContact SG-CA 3.54Å; I154-F172 HydrophobicContact CD1-CB 3.89Å; I154-F172 HydrophobicContact CD1-CG 4.41Å; I154-F172 HydrophobicContact CG1-CB 4.44Å; G162-F172 WeakPolarHBondContact CA-O 3.22Å; F163-F172 HydrophobicContact CB-CD1 4.09Å; F163-F172 HydrophobicContact CB-CE1 3.46Å; F163-F172 VanDerWaalsContact CB-CE1 3.46Å; F163-F172 HydrophobicContact CB-CE2 4.03Å; F163-F172 HydrophobicContact CB-CZ 3.41Å; F163-F172 VanDerWaalsContact CB-CZ 3.41Å; F163-F172 HydrophobicContact CD2-CD2 4.49Å; F163-F172 AromaticContact CD2-CE2 3.75Å; F163-F172 HydrophobicContact CD2-CE2 3.75Å; F163-F172 AromaticContact CD2-CZ 3.89Å; F163-F172 HydrophobicContact CD2-CZ 3.89Å; F163-F172 HydrophobicContact CG-CE1 4.36Å; F163-F172 HydrophobicContact CG-CE2 4.18Å; F163-F172 AromaticContact CG-CZ 3.82Å; F163-F172 HydrophobicContact CG-CZ 3.82Å; F163-F172 PolarHBondContact N-O 3.25Å; F163-F172 PolarHBondContact O-N 3.24Å; Y170-F172 HydrophobicContact CD1-CD1 4.24Å; F172-C176 HydrophobicContact CB-CB 4.35Å; F172-V180 HydrophobicContact CB-CG2 4.33Å; F172-V180 HydrophobicContact CD1-CG2 3.72Å; F172-V180 HydrophobicContact CD2-CG2 3.41Å; F172-V180 VanDerWaalsContact CD2-CG2 3.41Å; F172-V180 HydrophobicContact CE1-CG1 4.29Å; F172-V180 HydrophobicContact CE1-CG2 3.8Å; F172-V180 HydrophobicContact CE2-CG2 3.57Å; F172-V180 HydrophobicContact CG-CG2 3.54Å; F172-V180 HydrophobicContact CZ-CG2 3.75Å
173	H	93.6	Very high	83.8	Confident	23 Å²	23	52 Å²	52	11%	0.106	27%	0.272	C	S	.	.			trans	-71.7	151.8	170.5	-60.8	104.4	0	0	0	111.2	C152 C155 F158 L159 H175 C176 S177	C152-H173 VanDerWaalsContact CB-CE1 3.41Å; C152-H173 WeakPolarHBondContact CB-CE1 3.2Å; C152-H173 WeakPolarHBondContact CB-ND1 3.13Å; C155-H173 PolarHBondContact SG-CE1 3.08Å; C155-H173 PolarHBondContact SG-ND1 3.22Å; F158-H173 PolarHBondContact O-CE1 3.37Å; F158-H173 PolarHBondContact O-NE2 3.45Å; L159-H173 HydrophobicContact CD1-CB 4.38Å; L159-H173 WeakPolarHBondContact CD1-CD2 3.39Å; H173-H175 VanDerWaalsContact C-N 3.28Å; H173-H175 WeakPolarHBondContact CB-CE1 3.49Å; H173-H175 WeakPolarHBondContact CB-ND1 3.32Å; H173-H175 AromaticContact CD2-CE1 3.94Å; H173-H175 AromaticContact CG-CE1 3.4Å; H173-H175 AromaticContact CG-NE2 3.93Å; H173-H175 AromaticContact ND1-CE1 3.78Å; H173-H175 AromaticContact ND1-NE2 3.91Å; H173-H175 PolarHBondContact O-N 3.32Å; H173-C176 HydrophobicContact CB-CB 4.27Å; H173-C176 WeakPolarHBondContact O-CA 3.41Å; H173-C176 WeakPolarHBondContact O-CB 3.35Å; H173-C176 PolarHBondContact O-N 3.38Å; H173-S177 PolarHBondContact O-N 3.38Å
174	E	92.1	Very high	82.8	Confident	107 Å²	107	49.8 Å²	49.8	50%	0.5	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-52.2	-42.9	174.6	-172.9	159.9	175.2	0	0	113.7	R143 F163 C176 S177	R143-E174 IonicContact CZ-OE2 3.65Å; R143-E174 IonicContact NH2-OE1 3.04Å; R143-E174 IonicContact NH2-OE2 2.89Å; R143-E174 PolarHBondContact NH2-OE2 3.27Å; F163-E174 HydrophobicContact CE2-CB 3.87Å; F163-E174 HydrophobicContact CE2-CG 3.92Å; E174-C176 PolarHBondContact O-N 3.42Å; E174-S177 WeakPolarHBondContact O-CB 3.5Å; E174-S177 PolarHBondContact O-N 3.34Å; E174-S177 VanDerWaalsContact O-N 3.17Å; E174-S177 PolarHBondContact O-OG 3.26Å
175	H	91.6	Very high	81.5	Confident	105 Å²	105	47.4 Å²	47.4	49%	0.486	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-72.4	-10.5	176.5	66.6	-97	0	0	0	114.4	H173 Q255	H173-H175 VanDerWaalsContact C-N 3.28Å; H173-H175 WeakPolarHBondContact CB-CE1 3.49Å; H173-H175 WeakPolarHBondContact CB-ND1 3.32Å; H173-H175 AromaticContact CD2-CE1 3.94Å; H173-H175 AromaticContact CG-CE1 3.4Å; H173-H175 AromaticContact CG-NE2 3.93Å; H173-H175 AromaticContact ND1-CE1 3.78Å; H173-H175 AromaticContact ND1-NE2 3.91Å; H173-H175 PolarHBondContact O-N 3.32Å; H175-Q255 PolarHBondContact ND1-NE2 2.79Å
176	C	90.8	Very high	80	Confident	8 Å²	8	48.9 Å²	48.9	5%	0.054	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-93	-2.3	173.9	-69.4	0	0	0	0	112.4	I154 F172 H173 E174 T178 K179	I154-C176 HydrophobicContact CB-CB 4.14Å; I154-C176 HydrophobicContact CD1-CB 3.88Å; I154-C176 WeakPolarHBondContact CD1-O 3.29Å; I154-C176 HydrophobicContact CG2-CB 4.2Å; F172-C176 HydrophobicContact CB-CB 4.35Å; H173-C176 HydrophobicContact CB-CB 4.27Å; H173-C176 WeakPolarHBondContact O-CA 3.41Å; H173-C176 WeakPolarHBondContact O-CB 3.35Å; H173-C176 PolarHBondContact O-N 3.38Å; E174-C176 PolarHBondContact O-N 3.42Å; C176-T178 PolarHBondContact O-N 2.85Å; C176-T178 VanDerWaalsContact O-N 3.17Å; C176-K179 PolarHBondContact O-N 3.41Å
177	S	88.1	Confident	78.6	Confident	60 Å²	60	49.6 Å²	49.6	42%	0.42	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-51.3	-38.5	-177.2	53	0	0	0	0	114.1	H173 E174 K179 V180	H173-S177 PolarHBondContact O-N 3.38Å; E174-S177 WeakPolarHBondContact O-CB 3.5Å; E174-S177 PolarHBondContact O-N 3.34Å; E174-S177 VanDerWaalsContact O-N 3.17Å; E174-S177 PolarHBondContact O-OG 3.26Å; S177-K179 PolarHBondContact O-N 3.43Å; S177-K179 VanDerWaalsContact O-N 3.15Å; S177-V180 WeakPolarHBondContact O-CB 3.36Å; S177-V180 VanDerWaalsContact O-CG2 3.32Å; S177-V180 WeakPolarHBondContact O-CG2 3.42Å; S177-V180 PolarHBondContact O-N 2.88Å; S177-V180 VanDerWaalsContact O-N 3.13Å
178	T	84.4	Confident	77.3	Confident	124 Å²	124	48.2 Å²	48.2	76%	0.761	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-65.5	-16.5	-178.8	56.6	0	0	0	0	114.4	C176	C176-T178 PolarHBondContact O-N 2.85Å; C176-T178 VanDerWaalsContact O-N 3.17Å
179	K	83.4	Confident	75.9	Confident	156 Å²	156	50.5 Å²	50.5	68%	0.678	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-104.6	1.6	179.3	-63.7	178.7	-178.1	-179.6	0	112.8	I154 C176 S177	I154-K179 HydrophobicContact CD1-CB 4.08Å; I154-K179 HydrophobicContact CG2-CB 3.74Å; I154-K179 HydrophobicContact CG2-CD 3.76Å; I154-K179 HydrophobicContact CG2-CG 4.4Å; C176-K179 PolarHBondContact O-N 3.41Å; S177-K179 PolarHBondContact O-N 3.43Å; S177-K179 VanDerWaalsContact O-N 3.15Å
180	V	80.3	Confident	74.3	Confident	20 Å²	20	49.7 Å²	49.7	12%	0.121	26%	0.261	C	S	.	.	S	Bend	trans	-71.4	133.7	179.9	179.9	0	0	0	0	109.1	F141 I154 Y170 F172 S177 T182	F141-V180 HydrophobicContact CE1-CG1 4.36Å; F141-V180 HydrophobicContact CE2-CG1 4Å; F141-V180 HydrophobicContact CZ-CG1 3.44Å; F141-V180 VanDerWaalsContact CZ-CG1 3.44Å; I154-V180 HydrophobicContact CD1-CB 4.37Å; I154-V180 HydrophobicContact CD1-CG2 3.53Å; Y170-V180 HydrophobicContact CD1-CG1 4.24Å; Y170-V180 HydrophobicContact CE1-CG1 4.13Å; F172-V180 HydrophobicContact CB-CG2 4.33Å; F172-V180 HydrophobicContact CD1-CG2 3.72Å; F172-V180 HydrophobicContact CD2-CG2 3.41Å; F172-V180 VanDerWaalsContact CD2-CG2 3.41Å; F172-V180 HydrophobicContact CE1-CG1 4.29Å; F172-V180 HydrophobicContact CE1-CG2 3.8Å; F172-V180 HydrophobicContact CE2-CG2 3.57Å; F172-V180 HydrophobicContact CG-CG2 3.54Å; F172-V180 HydrophobicContact CZ-CG2 3.75Å; S177-V180 WeakPolarHBondContact O-CB 3.36Å; S177-V180 VanDerWaalsContact O-CG2 3.32Å; S177-V180 WeakPolarHBondContact O-CG2 3.42Å; S177-V180 PolarHBondContact O-N 2.88Å; S177-V180 VanDerWaalsContact O-N 3.13Å; V180-T182 PolarHBondContact O-N 3.35Å
181	P	77	Confident	72.4	Confident	47 Å²	47	50.9 Å²	50.9	31%	0.305	27%	0.265	S	S	.	.			trans	-53.8	136.7	172.1	-25.5	34.7	0	0	0	111.1	H139 M183	H139-P181 PolarHBondContact CD2-O 3.32Å; H139-P181 VanDerWaalsContact CD2-O 3.27Å; H139-P181 PolarHBondContact NE2-O 3.17Å; P181-M183 PolarHBondContact O-N 3.39Å
182	T	70.2	Confident	70.2	Confident	73 Å²	73	55.1 Å²	55.1	45%	0.448	29%	0.285	S	S	.	.	S	Bend	trans	-66	-26.6	-178.7	44.8	0	0	0	0	112.4	R89 V180	R89-T182 WeakPolarHBondContact O-CG2 3.26Å; R89-T182 PolarHBondContact O-OG1 2.78Å; V180-T182 PolarHBondContact O-N 3.35Å
183	M	67.6	Low	67.6	Low	22 Å²	22	58 Å²	58	11%	0.108	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.1	-173.4	-55.9	-52.3	-68.5	0	0	111.9	F130 L136 H139 P181 V185	F130-M183 HydrophobicContact CZ-CG 4.24Å; L136-M183 HydrophobicContact CB-CE 3.58Å; L136-M183 HydrophobicContact CD1-CE 4.42Å; L136-M183 HydrophobicContact CD2-CB 3.73Å; L136-M183 HydrophobicContact CD2-CE 3.89Å; L136-M183 HydrophobicContact CD2-CG 3.99Å; L136-M183 HydrophobicContact CG-CE 4.16Å; H139-M183 PolarHBondContact NE2-O 2.9Å; H139-M183 VanDerWaalsContact NE2-O 3.08Å; P181-M183 PolarHBondContact O-N 3.39Å; M183-V185 VanDerWaalsContact C-N 3.25Å; M183-V185 HydrophobicContact CB-CG2 4.28Å; M183-V185 PolarHBondContact O-N 3.15Å
184	C	71.8	Confident	65.1	Low	1 Å²	1	59.8 Å²	59.8	1%	0.007	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	83.2	169.6	-175.5	0	0	0	0	108.9	T137 H139 C168 D186	T137-C184 WeakPolarHBondContact O-CA 3.28Å; T137-C184 WeakPolarHBondContact O-CB 3.29Å; T137-C184 PolarHBondContact O-N 2.98Å; T137-C184 WeakPolarHBondContact OG1-CB 3.49Å; T137-C184 PolarHBondContact OG1-O 2.87Å; H139-C184 HydrophobicContact CB-CB 4.33Å; C168-C184 VanDerWaalsContact CB-SG 3.58Å; C184-D186 PolarHBondContact O-N 3.09Å; C184-D186 VanDerWaalsContact O-N 3.1Å
185	V	61	Low	62.8	Low	28 Å²	28	59.1 Å²	59.1	17%	0.17	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	104.7	177.9	-178	0	0	0	0	109.1	M183 W187 I190	M183-V185 VanDerWaalsContact C-N 3.25Å; M183-V185 HydrophobicContact CB-CG2 4.28Å; M183-V185 PolarHBondContact O-N 3.15Å; V185-W187 VanDerWaalsContact C-N 3.34Å; V185-W187 HydrophobicContact CG1-CD2 3.91Å; V185-W187 HydrophobicContact CG1-CG 4.08Å; V185-W187 HydrophobicContact CG1-CZ2 4.23Å; V185-W187 PolarHBondContact O-N 3.38Å; V185-W187 VanDerWaalsContact O-N 3.13Å; V185-I190 HydrophobicContact CB-CD1 4.25Å; V185-I190 HydrophobicContact CG1-CD1 3.17Å
186	D	54.3	Low	60.2	Low	32 Å²	32	61 Å²	61	17%	0.171	32%	0.316	C	S	.	.			trans	-77.4	88.6	164.3	-165.1	-5.2	0	0	0	108.8	C184 S188 N189 K579	C184-D186 PolarHBondContact O-N 3.09Å; C184-D186 VanDerWaalsContact O-N 3.1Å; D186-S188 PolarHBondContact O-N 3.38Å; D186-S188 WeakPolarHBondContact OD1-CB 3.21Å; D186-S188 PolarHBondContact OD1-N 3.45Å; D186-S188 VanDerWaalsContact OD1-N 3.15Å; D186-S188 PolarHBondContact OD1-OG 3.05Å; D186-N189 PolarHBondContact O-N 2.98Å; D186-N189 VanDerWaalsContact O-N 3.14Å; D186-K579 IonicContact OD1-NZ 2.82Å; D186-K579 IonicContact OD2-NZ 2.88Å; D186-K579 PolarHBondContact OD2-NZ 2.85Å
187	W	50.4	Low	57.4	Low	79 Å²	79	65.4 Å²	65.4	30%	0.299	35%	0.345	S	S	.	.	H	α-helix	trans	-54.9	-9.9	175.6	-74.6	104.6	0	0	0	113.5	V185 N189 K582	V185-W187 VanDerWaalsContact C-N 3.34Å; V185-W187 HydrophobicContact CG1-CD2 3.91Å; V185-W187 HydrophobicContact CG1-CG 4.08Å; V185-W187 HydrophobicContact CG1-CZ2 4.23Å; V185-W187 PolarHBondContact O-N 3.38Å; V185-W187 VanDerWaalsContact O-N 3.13Å; W187-N189 VanDerWaalsContact C-N 3.31Å; W187-N189 PolarHBondContact O-N 3.46Å; W187-K582 WeakPolarHBondContact O-CE 3.35Å; W187-K582 PolarHBondContact O-NZ 3.46Å
188	S	46.2	Very low	54.6	Low	37 Å²	37	69.6 Å²	69.6	26%	0.259	36%	0.363	S	S	.	.	H	α-helix	trans	-56	-42.1	171.8	-48.7	0	0	0	0	112.3	D186	D186-S188 PolarHBondContact O-N 3.38Å; D186-S188 WeakPolarHBondContact OD1-CB 3.21Å; D186-S188 PolarHBondContact OD1-N 3.45Å; D186-S188 VanDerWaalsContact OD1-N 3.15Å; D186-S188 PolarHBondContact OD1-OG 3.05Å
189	N	44.3	Very low	52	Low	63 Å²	63	69 Å²	69	34%	0.337	36%	0.364	S	S	.	.	H	α-helix	trans	-105.7	-21.9	-168.5	-71.4	-43	0	0	0	115.1	P135 D186 W187 R191 Q192	P135-N189 HydrophobicContact CG-CB 3.7Å; P135-N189 WeakPolarHBondContact CG-ND2 3.42Å; D186-N189 PolarHBondContact O-N 2.98Å; D186-N189 VanDerWaalsContact O-N 3.14Å; W187-N189 VanDerWaalsContact C-N 3.31Å; W187-N189 PolarHBondContact O-N 3.46Å; N189-R191 PolarHBondContact O-N 2.76Å; N189-Q192 PolarHBondContact O-N 3.45Å
190	I	47.4	Very low	49.6	Very low	1 Å²	1	67.7 Å²	67.7	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-73.5	-31.3	-164	-65.1	169.3	0	0	0	112.9	V134 V185 L194	V134-I190 HydrophobicContact CB-CD1 4.39Å; V134-I190 HydrophobicContact CB-CG1 3.99Å; V134-I190 HydrophobicContact CG1-CD1 3.34Å; V134-I190 HydrophobicContact CG1-CG1 3.46Å; V134-I190 VanDerWaalsContact CG1-CG1 3.46Å; V134-I190 HydrophobicContact CG2-CB 4.43Å; V134-I190 HydrophobicContact CG2-CG1 3.95Å; V134-I190 HydrophobicContact CG2-CG2 4.07Å; V185-I190 HydrophobicContact CB-CD1 4.25Å; V185-I190 HydrophobicContact CG1-CD1 3.17Å; I190-L194 HydrophobicContact CG2-CD1 3.73Å; I190-L194 WeakPolarHBondContact O-CB 3.47Å; I190-L194 WeakPolarHBondContact O-CD1 3.14Å; I190-L194 WeakPolarHBondContact O-CG 3.44Å
191	R	44.2	Very low	47.3	Very low	58 Å²	58	74 Å²	74	22%	0.219	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-27.3	177.3	-77.8	-171.7	171.7	-150.6	3.6	114.3	N189 L193 L194 L195 S567 P568	N189-R191 PolarHBondContact O-N 2.76Å; R191-L193 PolarHBondContact O-N 2.86Å; R191-L194 PolarHBondContact O-N 3.16Å; R191-L195 PolarHBondContact O-N 3.37Å; R191-S567 PolarHBondContact NH1-OG 2.91Å; R191-S567 PolarHBondContact NH2-OG 3.2Å; R191-P568 PolarHBondContact NH1-O 3.14Å
192	Q	42.1	Very low	45.2	Very low	105 Å²	105	75.1 Å²	75.1	49%	0.491	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.9	-176.9	-139.9	169.9	23.1	0	0	112.3	N189	N189-Q192 PolarHBondContact O-N 3.45Å
193	L	38.7	Very low	43.4	Very low	70 Å²	70	78.6 Å²	78.6	37%	0.366	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-8.8	-176.9	-70	150.6	0	0	0	113	H133 R191	H133-L193 HydrophobicContact CB-CB 3.37Å; H133-L193 HydrophobicContact CB-CD1 3.3Å; H133-L193 HydrophobicContact CB-CD2 4.13Å; H133-L193 HydrophobicContact CB-CG 3.7Å; H133-L193 WeakPolarHBondContact O-CD1 3.43Å; R191-L193 PolarHBondContact O-N 2.86Å
194	L	41.6	Very low	41.7	Very low	60 Å²	60	83 Å²	83	31%	0.314	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-21.6	176.7	-81.3	171.9	0	0	0	113.7	E94 L131 I190 R191	E94-L194 HydrophobicContact CB-CD1 4.32Å; E94-L194 WeakPolarHBondContact O-CD1 3.44Å; E94-L194 WeakPolarHBondContact O-CD2 3.35Å; L131-L194 HydrophobicContact CD1-CD1 4.5Å; L131-L194 HydrophobicContact CD1-CD2 3.21Å; L131-L194 HydrophobicContact CD1-CG 4.06Å; I190-L194 HydrophobicContact CG2-CD1 3.73Å; I190-L194 WeakPolarHBondContact O-CB 3.47Å; I190-L194 WeakPolarHBondContact O-CD1 3.14Å; I190-L194 WeakPolarHBondContact O-CG 3.44Å; R191-L194 PolarHBondContact O-N 3.16Å
195	L	43.9	Very low	39.9	Very low	92 Å²	92	86.6 Å²	86.6	48%	0.482	51%	0.513	S	S	.	.	S	Bend	trans	-96.4	-7.4	-179.9	-69.6	165.5	0	0	0	113.3	R191 D569	R191-L195 PolarHBondContact O-N 3.37Å; L195-D569 HydrophobicContact CD1-CB 4.43Å; L195-D569 VanDerWaalsContact CD1-CG 3.47Å; L195-D569 WeakPolarHBondContact CD1-OD1 3.38Å; L195-D569 WeakPolarHBondContact CD1-OD2 3.46Å
196	F	36.9	Very low	38.4	Very low	144 Å²	144	92 Å²	92	63%	0.632	55%	0.546	S	S	*	.			trans	-141.3	83.1	176.6	-63.8	-79.7	0	0	0	111.6
197	P	31.9	Very low	37.5	Very low	102 Å²	102	96.1 Å²	96.1	66%	0.662	58%	0.575	S	S	*	*			trans	-76.8	122.4	154.5	30.6	-23.3	0	0	0	106.9
198	N	30.2	Very low	36.6	Very low	147 Å²	147	96.4 Å²	96.4	79%	0.786	59%	0.594	S	S	*	*			trans	97.7	74.6	174.7	-47.1	-15.1	0	0	0	116.1
199	S	29.1	Very low	36.2	Very low	112 Å²	112	100.2 Å²	100.2	78%	0.783	62%	0.618	S	S	*	*			trans	-132	54.7	145.9	-62.6	0	0	0	0	109.5
200	T	33.1	Very low	35.8	Very low	129 Å²	129	102.8 Å²	102.8	79%	0.791	64%	0.637	S	S	*	*			trans	-90	103.2	160	47.2	0	0	0	0	107.8
201	V	32.8	Very low	34.9	Very low	153 Å²	153	107.6 Å²	107.6	93%	0.927	67%	0.671	S	S	*	*			trans	5.3	112.7	151.3	-174.5	0	0	0	0	114.8
202	G	32.1	Very low	34.4	Very low	69 Å²	69	114.1 Å²	114.1	71%	0.711	70%	0.702	S	S	*	*			trans	172.3	83.6	174.7	0	0	0	0	0	111.8
203	D	32.1	Very low	33.9	Very low	147 Å²	147	114.6 Å²	114.6	79%	0.786	71%	0.714	S	S	*	*			trans	31.1	122.8	145.3	-141.4	-4.6	0	0	0	120.7
204	S	32.6	Very low	33.3	Very low	114 Å²	114	120.1 Å²	120.1	80%	0.797	74%	0.74	S	S	*	*			trans	56.3	109.7	147.8	-62.6	0	0	0	0	120.4
205	G	32.5	Very low	32.9	Very low	76 Å²	76	128.8 Å²	128.8	78%	0.784	77%	0.768	S	S	*	*			trans	135.4	109.1	153.1	0	0	0	0	0	116
206	V	30.7	Very low	32.3	Very low	143 Å²	143	135.9 Å²	135.9	87%	0.867	79%	0.789	S	S	*	*			trans	-61.8	136.3	169.8	175.5	0	0	0	0	110.2
207	P	34.3	Very low	32.2	Very low	118 Å²	118	138.4 Å²	138.4	77%	0.766	81%	0.805	S	S	*	*				-153.7	146.1	113.9	29.9	-7.6	0	0	0	118.5
208	A	32.9	Very low	32	Very low	85 Å²	85	143.8 Å²	143.8	70%	0.702	81%	0.812	S	S	*	*			trans	8.6	148.6	153.5	0	0	0	0	0	123.2
209	P	36.1	Very low	32	Very low	117 Å²	117	145.7 Å²	145.7	76%	0.76	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-75.2	142.7	174	32.5	-32.4	0	0	0	111.9
210	P	37.1	Very low	32	Very low	116 Å²	116	145.3 Å²	145.3	75%	0.753	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-74.6	134.5	175.9	28.5	-30.6	0	0	0	111.5	F212	P210-F212 HydrophobicContact CB-CD2 4.48Å
211	S	28.9	Very low	32	Very low	103 Å²	103	145.9 Å²	145.9	72%	0.72	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-100.3	121.8	172.4	36.3	0	0	0	0	109
212	F	32.2	Very low	32	Very low	195 Å²	195	143.4 Å²	143.4	86%	0.855	81%	0.806	S	S	*	*			trans	-150.4	154.6	168.6	-77.9	-63	0	0	0	112	P210	P210-F212 HydrophobicContact CB-CD2 4.48Å
213	P	32.8	Very low	31.9	Very low	114 Å²	114	151.6 Å²	151.6	74%	0.74	82%	0.815	S	S	*	*				-101.4	156	-125.8	36.5	-35	0	0	0	114.6	R215	P213-R215 PolarHBondContact O-N 2.91Å
214	M	26.6	Very low	31.9	Very low	187 Å²	187	152.7 Å²	152.7	92%	0.921	82%	0.818	S	S	*	*			trans	-60.8	118.7	165.1	-73.2	-137	91	0	0	111
215	R	33.4	Very low	31.9	Very low	241 Å²	241	153.1 Å²	153.1	91%	0.909	82%	0.818	S	S	*	*			trans	-108.2	114.6	154.6	-113.4	-179.4	-176	-177.3	1.4	108.9	P213	P213-R215 PolarHBondContact O-N 2.91Å
216	R	31	Very low	31.7	Very low	241 Å²	241	154.2 Å²	154.2	91%	0.909	82%	0.82	S	S	*	*			trans	-58.4	131.1	165.1	-84.9	177.1	177.6	164.7	0.1	109.1
217	M	33.4	Very low	31.6	Very low	198 Å²	198	153 Å²	153	98%	0.975	82%	0.817	S	S	*	*			trans	-126.7	113.1	152.3	-145	170.6	-171.1	0	0	106.5
218	R	28.1	Very low	31.6	Very low	215 Å²	215	151.9 Å²	151.9	81%	0.811	81%	0.813	S	S	*	*			trans	-123.4	116.6	-178.4	-178.4	-170	-156	-137.4	6.1	106
219	E	30.8	Very low	31.7	Very low	187 Å²	187	155.9 Å²	155.9	87%	0.874	82%	0.817	S	S	*	*			trans	173.9	115.3	151.7	-98.6	144	-171.3	0	0	106.4
220	S	29.4	Very low	31.5	Very low	103 Å²	103	156.8 Å²	156.8	72%	0.72	81%	0.811	S	S	*	*			cis	77.1	92.7	49.6	-61	0	0	0	0	113.9
221	V	31.9	Very low	31.3	Very low	141 Å²	141	160.4 Å²	160.4	86%	0.855	81%	0.809	S	S	*	*			trans	-155.6	132	153.8	-174	0	0	0	0	106.2
222	S	32.7	Very low	31.3	Very low	101 Å²	101	165.6 Å²	165.6	71%	0.706	81%	0.814	S	S	*	*			cis	-171.2	141	-18.9	45.9	0	0	0	0	105.7
223	R	29.9	Very low	31.2	Very low	241 Å²	241	161.3 Å²	161.3	91%	0.909	81%	0.809	S	S	*	*			trans	-71.3	146.3	173.4	-79	176.6	-176.6	169.4	0.2	111.4
224	M	32.3	Very low	31.1	Very low	170 Å²	170	162.5 Å²	162.5	84%	0.837	81%	0.814	S	S	*	*			trans	-106.3	150	153.5	-77.4	-71.3	110.1	0	0	110
225	P	32.3	Very low	31.4	Very low	123 Å²	123	159.3 Å²	159.3	80%	0.799	81%	0.807	S	S	*	*			trans	-97.5	168.5	-163.4	36.5	-29.4	0	0	0	114.5
226	A	28.3	Very low	31.3	Very low	100 Å²	100	156.9 Å²	156.9	83%	0.826	81%	0.806	S	S	*	*			trans	-98.9	140.4	-176.6	0	0	0	0	0	113.5
227	S	30.4	Very low	31.2	Very low	116 Å²	116	148.9 Å²	148.9	81%	0.811	79%	0.792	S	S	*	*			trans	168.9	134.5	151.3	55.1	0	0	0	0	105.3
228	S	34.1	Very low	31.1	Very low	96 Å²	96	148.6 Å²	148.6	67%	0.671	79%	0.785	S	S	*	*			cis	-176.7	145.8	38.9	41	0	0	0	0	109.1
229	Q	34	Very low	31.1	Very low	168 Å²	168	144.4 Å²	144.4	79%	0.785	78%	0.784	S	S	*	*			trans	68.2	125.5	139.3	-70.7	176.4	-12	0	0	122.4
230	H	32.3	Very low	31.1	Very low	137 Å²	137	143.1 Å²	143.1	63%	0.634	78%	0.776	S	S	*	*			trans	89.5	114.1	136.4	-77.3	-49.6	0	0	0	121.7
231	R	31.7	Very low	30.9	Very low	192 Å²	192	145.4 Å²	145.4	73%	0.725	78%	0.78	S	S	*	*				84.2	113.9	125.2	-73.4	-171.4	-146.4	-153.8	7.3	120
232	Y	29	Very low	31	Very low	211 Å²	211	144 Å²	144	83%	0.827	77%	0.772	S	S	*	*			trans	64.5	137.8	135.8	-70.7	-80.2	0	0	0	120.7
233	S	31.6	Very low	31	Very low	106 Å²	106	144 Å²	144	74%	0.741	77%	0.772	S	S	*	*			trans	98	111.8	149.7	-53.7	0	0	0	0	117.6
234	T	29.6	Very low	31.2	Very low	138 Å²	138	137.7 Å²	137.7	85%	0.847	77%	0.765	S	S	*	*			trans	-37.7	149.2	157.9	47.9	0	0	0	0	113.1
235	P	33.7	Very low	31.3	Very low	120 Å²	120	135.8 Å²	135.8	78%	0.779	77%	0.765	S	S	*	*				-149.5	159.8	116.2	30.3	-10.4	0	0	0	116.2
236	H	29.9	Very low	31.5	Very low	190 Å²	190	135.3 Å²	135.3	88%	0.88	76%	0.764	S	S	*	*			trans	-41.4	161	154.4	-81.2	-86.5	0	0	0	114.8
237	A	29.6	Very low	31.6	Very low	74 Å²	74	135.9 Å²	135.9	61%	0.612	76%	0.762	S	S	*	*			trans	106.1	114.2	154.1	0	0	0	0	0	116.5
238	F	31.8	Very low	31.7	Very low	192 Å²	192	139.8 Å²	139.8	84%	0.842	77%	0.768	S	S	*	*				-146.1	77	127.8	-82.5	-68.4	0	0	0	108.7	F240	F238-F240 HydrophobicContact CB-CD2 4.46Å; F238-F240 HydrophobicContact CD1-CD2 4.2Å; F238-F240 AromaticContact CD1-CE2 3.7Å; F238-F240 HydrophobicContact CD1-CE2 3.7Å; F238-F240 HydrophobicContact CD1-CZ 4.42Å; F238-F240 HydrophobicContact CE1-CE2 4.33Å; F238-F240 HydrophobicContact CG-CE2 4.38Å
239	T	28	Very low	31.4	Very low	127 Å²	127	139 Å²	139	78%	0.779	77%	0.774	S	S	*	*			trans	-85.8	103.2	154.2	-44.8	0	0	0	0	105.7	N241	T239-N241 PolarHBondContact O-N 2.96Å; T239-N241 VanDerWaalsContact O-N 3.08Å
240	F	31.2	Very low	31.4	Very low	160 Å²	160	136.3 Å²	136.3	70%	0.702	77%	0.774	S	S	*	*			trans	-74.9	96	171.7	-97.5	-88.2	0	0	0	109.2	F238 T242	F238-F240 HydrophobicContact CB-CD2 4.46Å; F238-F240 HydrophobicContact CD1-CD2 4.2Å; F238-F240 AromaticContact CD1-CE2 3.7Å; F238-F240 HydrophobicContact CD1-CE2 3.7Å; F238-F240 HydrophobicContact CD1-CZ 4.42Å; F238-F240 HydrophobicContact CE1-CE2 4.33Å; F238-F240 HydrophobicContact CG-CE2 4.38Å; F240-T242 HydrophobicContact CD1-CG2 4.48Å
241	N	25.5	Very low	31.3	Very low	151 Å²	151	138.5 Å²	138.5	81%	0.807	79%	0.79	S	S	*	*			trans	-94.1	110.1	153.2	-93	0.6	0	0	0	107.9	T239	T239-N241 PolarHBondContact O-N 2.96Å; T239-N241 VanDerWaalsContact O-N 3.08Å
242	T	34	Very low	31.5	Very low	111 Å²	111	134.5 Å²	134.5	68%	0.681	79%	0.791	S	S	*	*			trans	-125.2	94	160.3	38	0	0	0	0	105.4	F240	F240-T242 HydrophobicContact CD1-CG2 4.48Å
243	S	32.8	Very low	32.2	Very low	102 Å²	102	133.6 Å²	133.6	71%	0.713	79%	0.794	S	S	*	*				83.8	124.7	77.1	64.1	0	0	0	0	113.8
244	S	33.9	Very low	32.9	Very low	108 Å²	108	140.3 Å²	140.3	76%	0.755	80%	0.803	S	S	*	*			trans	70.9	117.6	167.6	64.9	0	0	0	0	119.5
245	P	33.6	Very low	34.3	Very low	130 Å²	130	140.5 Å²	140.5	84%	0.844	80%	0.795	S	S	*	*			trans	-88.5	104.2	156.5	32.1	-20.9	0	0	0	108.5	S247	P245-S247 PolarHBondContact O-N 3.17Å
246	S	35.5	Very low	35.6	Very low	112 Å²	112	146.4 Å²	146.4	78%	0.783	80%	0.801	S	S	*	*			trans	-76	111.2	156.2	50.7	0	0	0	0	107.7	E248	S246-E248 PolarHBondContact O-N 2.82Å
247	S	31.4	Very low	37.5	Very low	113 Å²	113	142.6 Å²	142.6	79%	0.79	80%	0.796	S	S	*	*			trans	-51.5	118.3	169.7	38.7	0	0	0	0	112.4	P245	P245-S247 PolarHBondContact O-N 3.17Å
248	E	32.6	Very low	39.4	Very low	198 Å²	198	144.2 Å²	144.2	93%	0.925	80%	0.798	S	S	*	*			trans	-168.9	148.8	140.4	-109	-179.9	-176.4	0	0	110.4	S246	S246-E248 PolarHBondContact O-N 2.82Å
249	G	27.8	Very low	41.4	Very low	78 Å²	78	140 Å²	140	80%	0.804	79%	0.793	S	S	*	*			trans	-81.8	151.1	-149.5	0	0	0	0	0	116.9
250	S	33.3	Very low	43.4	Very low	112 Å²	112	140 Å²	140	78%	0.783	79%	0.793	S	S	*	*				176.8	129.7	128.8	179.2	0	0	0	0	109.1	S252	S250-S252 PolarHBondContact O-N 3.05Å
251	L	29.9	Very low	45.3	Very low	184 Å²	184	135.9 Å²	135.9	96%	0.963	78%	0.782	S	S	*	*			trans	-52.1	102.9	-179.2	-70.2	154.3	0	0	0	111.3
252	S	36.2	Very low	47.5	Very low	107 Å²	107	134.6 Å²	134.6	75%	0.748	78%	0.776	S	S	*	*			trans	-122.3	127.4	166.4	56.9	0	0	0	0	109.8	S250 R254	S250-S252 PolarHBondContact O-N 3.05Å; S252-R254 PolarHBondContact O-N 2.82Å; S252-R254 VanDerWaalsContact O-N 3.08Å
253	Q	45.1	Very low	49	Very low	193 Å²	193	135.2 Å²	135.2	90%	0.902	78%	0.779	S	S	*	*			trans	-41.4	109.8	-176.3	-163.9	171.4	29	0	0	112	Q255	Q253-Q255 PolarHBondContact O-N 3.46Å
254	R	46	Very low	50.1	Low	247 Å²	247	137.2 Å²	137.2	93%	0.932	78%	0.777	S	S	*	*			trans	-55.5	111.9	179.6	-149.1	179.7	-164.1	-151.9	4.9	108.8	S252 R256	S252-R254 PolarHBondContact O-N 2.82Å; S252-R254 VanDerWaalsContact O-N 3.08Å; R254-R256 PolarHBondContact O-N 3.47Å
255	Q	58	Low	50.3	Low	141 Å²	141	140.1 Å²	140.1	66%	0.659	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-59.5	133.5	-178.4	-76.4	-174.7	-19.8	0	0	110.8	H175 Q253 S257	H175-Q255 PolarHBondContact ND1-NE2 2.79Å; Q253-Q255 PolarHBondContact O-N 3.46Å; Q255-S257 PolarHBondContact O-N 3.13Å
256	R	61.9	Low	50.7	Low	244 Å²	244	138.8 Å²	138.8	92%	0.921	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-74.2	117.7	173	-161.8	178.7	-146.6	174.5	6.6	108.9	R254	R254-R256 PolarHBondContact O-N 3.47Å
257	S	69.8	Low	50.4	Low	110 Å²	110	137.4 Å²	137.4	77%	0.769	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-56.1	145.4	167.4	-59.1	0	0	0	0	110.3	Q255 S259	Q255-S257 PolarHBondContact O-N 3.13Å; S257-S259 PolarHBondContact O-N 3.18Å
258	T	69.3	Low	50.8	Low	108 Å²	108	136.9 Å²	136.9	66%	0.663	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-65.7	128.4	-178.7	50.7	0	0	0	0	111.1	F158	F158-T258 HydrophobicContact CD1-CG2 4.04Å
259	S	74.5	Confident	51	Low	105 Å²	105	132.9 Å²	132.9	73%	0.734	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-86	173.8	167.7	57.5	0	0	0	0	111.3	S257	S257-S259 PolarHBondContact O-N 3.18Å
260	T	69.2	Low	51.3	Low	127 Å²	127	136.5 Å²	136.5	78%	0.779	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-52.9	127	176.6	-47.5	0	0	0	0	111.5
261	P	71.4	Confident	51.3	Low	72 Å²	72	138.9 Å²	138.9	47%	0.468	74%	0.74	S	S	.	*	P	Polyproline II helix	trans	-75.8	169.6	175.9	32	-35.1	0	0	0	112
262	N	72.1	Confident	51.7	Low	125 Å²	125	135.3 Å²	135.3	67%	0.668	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-60.4	136.8	176.1	-66.3	-18.7	0	0	0	111.6
263	V	64.1	Low	51.8	Low	124 Å²	124	134.5 Å²	134.5	75%	0.752	71%	0.712	S	S	*	*			trans	-93.1	109.6	173.6	-178.6	0	0	0	0	108.8
264	H	55.9	Low	51.6	Low	144 Å²	144	127.3 Å²	127.3	67%	0.667	68%	0.683	S	S	*	*			trans	-93.9	117.3	169.2	-86.5	-77.3	0	0	0	109.7	V266	H264-V266 PolarHBondContact O-N 3.38Å
265	M	39.3	Very low	51.4	Low	169 Å²	169	124.4 Å²	124.4	83%	0.833	67%	0.672	S	S	*	*			trans	-79	95.8	166.9	-68.3	-84.4	-76	0	0	107.9	S267	M265-S267 PolarHBondContact O-N 2.66Å
266	V	40.4	Very low	50.7	Low	102 Å²	102	124.9 Å²	124.9	62%	0.618	68%	0.677	S	S	*	*			trans	-81.9	99.2	169.9	-177.7	0	0	0	0	107.5	H264 T268	H264-V266 PolarHBondContact O-N 3.38Å; V266-T268 PolarHBondContact O-N 3.41Å; V266-T268 VanDerWaalsContact O-N 3.14Å
267	S	30.4	Very low	50.2	Low	82 Å²	82	114.9 Å²	114.9	57%	0.573	64%	0.641	S	S	*	*			trans	-67.8	106.2	169.5	-74	0	0	0	0	109.5	M265 T269	M265-S267 PolarHBondContact O-N 2.66Å; S267-T269 PolarHBondContact O-N 2.85Å
268	T	39.9	Very low	49	Very low	103 Å²	103	115.3 Å²	115.3	63%	0.632	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	28.6	172	34.8	0	0	0	0	113.7	V266	V266-T268 PolarHBondContact O-N 3.41Å; V266-T268 VanDerWaalsContact O-N 3.14Å
269	T	37.2	Very low	47.8	Very low	114 Å²	114	115.2 Å²	115.2	70%	0.699	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	6.8	-177.6	53.6	0	0	0	0	114.5	S267 H271	S267-T269 PolarHBondContact O-N 2.85Å; T269-H271 PolarHBondContact O-N 3.31Å
270	L	33.2	Very low	46.4	Very low	154 Å²	154	112.5 Å²	112.5	81%	0.806	61%	0.611	S	S	*	*			trans	-84.2	103.9	169.3	-66.2	175.7	0	0	0	108.9	V272	L270-V272 PolarHBondContact O-N 2.84Å; L270-V272 VanDerWaalsContact O-N 3.09Å
271	H	33.8	Very low	45.7	Very low	162 Å²	162	111.6 Å²	111.6	75%	0.75	60%	0.6	S	S	*	*			trans	-47.5	115.7	163.3	-89.7	-99.6	0	0	0	108.4	T269 D273 S274	T269-H271 PolarHBondContact O-N 3.31Å; H271-D273 PolarHBondContact O-N 3.44Å; H271-S274 PolarHBondContact ND1-OG 3.22Å
272	V	38.5	Very low	44.5	Very low	108 Å²	108	117.3 Å²	117.3	66%	0.655	61%	0.612	S	S	*	*			trans	-58.5	121.6	151	179.1	0	0	0	0	104.2	L270 S274 I277	L270-V272 PolarHBondContact O-N 2.84Å; L270-V272 VanDerWaalsContact O-N 3.09Å; V272-S274 WeakPolarHBondContact O-CA 3.44Å; V272-S274 PolarHBondContact O-N 3.49Å; V272-I277 HydrophobicContact CG1-CD1 3.97Å
273	D	37.4	Very low	43.3	Very low	90 Å²	90	115.1 Å²	115.1	48%	0.481	61%	0.606	S	S	.	*			trans	-45.5	94.8	-170.7	-145.9	-15.1	0	0	0	110.4	H271 R275 M276	H271-D273 PolarHBondContact O-N 3.44Å; D273-R275 PolarHBondContact O-N 3.26Å; D273-R275 WeakPolarHBondContact OD1-CD 3.36Å; D273-R275 IonicContact OD1-NE 2.74Å; D273-R275 PolarHBondContact OD1-NE 2.74Å; D273-M276 PolarHBondContact O-N 3.29Å
274	S	40.9	Very low	42.6	Very low	42 Å²	42	117.2 Å²	117.2	29%	0.294	61%	0.608	S	S	.	*	H	α-helix	trans	-57.5	-20.8	-169.7	-69.7	0	0	0	0	111.8	H271 V272 M276 I277 E278	H271-S274 PolarHBondContact ND1-OG 3.22Å; V272-S274 WeakPolarHBondContact O-CA 3.44Å; V272-S274 PolarHBondContact O-N 3.49Å; S274-M276 PolarHBondContact O-N 3.47Å; S274-I277 PolarHBondContact O-N 3.22Å; S274-E278 WeakPolarHBondContact O-CB 3.29Å; S274-E278 WeakPolarHBondContact O-CG 3.44Å; S274-E278 PolarHBondContact O-N 2.78Å
275	R	41.2	Very low	41.9	Very low	186 Å²	186	114.7 Å²	114.7	70%	0.702	61%	0.606	S	S	*	*	H	α-helix	trans	-60.5	-40.9	176.1	-44.4	-180	-163.9	-163.3	0.9	112	D273 I277 D279	D273-R275 PolarHBondContact O-N 3.26Å; D273-R275 WeakPolarHBondContact OD1-CD 3.36Å; D273-R275 IonicContact OD1-NE 2.74Å; D273-R275 PolarHBondContact OD1-NE 2.74Å; R275-I277 VanDerWaalsContact C-N 3.34Å; R275-I277 PolarHBondContact O-N 3.46Å; R275-D279 WeakPolarHBondContact O-CB 3.34Å; R275-D279 VanDerWaalsContact O-CG 3.29Å; R275-D279 PolarHBondContact O-N 2.68Å; R275-D279 VanDerWaalsContact O-N 3.09Å
276	M	44.4	Very low	41.5	Very low	151 Å²	151	115.3 Å²	115.3	74%	0.744	61%	0.607	S	S	*	*	H	α-helix	trans	-76.2	-21.5	-179.3	-62.9	-151.7	119	0	0	113.4	D273 S274	D273-M276 PolarHBondContact O-N 3.29Å; S274-M276 PolarHBondContact O-N 3.47Å
277	I	50.7	Low	41.2	Very low	34 Å²	34	115.9 Å²	115.9	17%	0.174	62%	0.616	C	S	.	*	H	α-helix	trans	-89.4	-38	177.5	-59.9	173.6	0	0	0	110	V272 S274 R275 A280 I281	V272-I277 HydrophobicContact CG1-CD1 3.97Å; S274-I277 PolarHBondContact O-N 3.22Å; R275-I277 VanDerWaalsContact C-N 3.34Å; R275-I277 PolarHBondContact O-N 3.46Å; I277-A280 PolarHBondContact O-N 3.4Å; I277-I281 HydrophobicContact CG2-CD1 3.91Å; I277-I281 VanDerWaalsContact O-CG1 3.29Å; I277-I281 WeakPolarHBondContact O-CG1 3.41Å; I277-I281 PolarHBondContact O-N 2.8Å; I277-I281 VanDerWaalsContact O-N 3.15Å
278	E	44.8	Very low	41.5	Very low	120 Å²	120	116.5 Å²	116.5	56%	0.561	63%	0.625	S	S	*	*	H	α-helix	trans	-64.8	-39.3	173.9	-77.1	177.4	168.7	0	0	112.3	S274 A280 I281 R282	S274-E278 WeakPolarHBondContact O-CB 3.29Å; S274-E278 WeakPolarHBondContact O-CG 3.44Å; S274-E278 PolarHBondContact O-N 2.78Å; E278-A280 VanDerWaalsContact C-N 3.34Å; E278-A280 PolarHBondContact O-N 2.82Å; E278-I281 PolarHBondContact O-N 2.92Å; E278-R282 WeakPolarHBondContact O-CB 3.21Å; E278-R282 PolarHBondContact O-N 3.17Å
279	D	44.2	Very low	41.5	Very low	105 Å²	105	117.5 Å²	117.5	56%	0.561	64%	0.637	S	S	*	*	H	α-helix	trans	-67.6	-32.3	176.5	-75.6	-21.5	0	0	0	112.7	R275 S283	R275-D279 WeakPolarHBondContact O-CB 3.34Å; R275-D279 VanDerWaalsContact O-CG 3.29Å; R275-D279 PolarHBondContact O-N 2.68Å; R275-D279 VanDerWaalsContact O-N 3.09Å; D279-S283 WeakPolarHBondContact O-CB 3.17Å; D279-S283 PolarHBondContact O-N 3.07Å; D279-S283 VanDerWaalsContact O-N 3.16Å; D279-S283 PolarHBondContact O-OG 3.34Å
280	A	46.4	Very low	41.4	Very low	49 Å²	49	117.9 Å²	117.9	41%	0.405	64%	0.641	S	S	.	*	H	α-helix	trans	-75	-25.2	175	0	0	0	0	0	113.1	I277 E278 S283 H284	I277-A280 PolarHBondContact O-N 3.4Å; E278-A280 VanDerWaalsContact C-N 3.34Å; E278-A280 PolarHBondContact O-N 2.82Å; A280-S283 PolarHBondContact O-OG 3.39Å; A280-H284 PolarHBondContact O-CD2 2.86Å
281	I	53	Low	41.6	Very low	108 Å²	108	116.5 Å²	116.5	55%	0.554	64%	0.644	S	S	*	*	H	α-helix	trans	-86.3	-35.5	176.9	-65.4	167.3	0	0	0	110.7	I277 E278 S285	I277-I281 HydrophobicContact CG2-CD1 3.91Å; I277-I281 VanDerWaalsContact O-CG1 3.29Å; I277-I281 WeakPolarHBondContact O-CG1 3.41Å; I277-I281 PolarHBondContact O-N 2.8Å; I277-I281 VanDerWaalsContact O-N 3.15Å; E278-I281 PolarHBondContact O-N 2.92Å; I281-S285 PolarHBondContact O-OG 3.09Å
282	R	47.5	Very low	41.6	Very low	192 Å²	192	112.7 Å²	112.7	73%	0.725	64%	0.641	S	S	*	*	H	α-helix	trans	-68.7	-35.7	174.6	-87.8	-179.3	168.1	171.6	-2.4	113.3	E278 H284	E278-R282 WeakPolarHBondContact O-CB 3.21Å; E278-R282 PolarHBondContact O-N 3.17Å; R282-H284 PolarHBondContact O-N 3.14Å
283	S	46.8	Very low	41.6	Very low	78 Å²	78	115.1 Å²	115.1	55%	0.545	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74	-5.4	180	50.3	0	0	0	0	115.3	D279 A280	D279-S283 WeakPolarHBondContact O-CB 3.17Å; D279-S283 PolarHBondContact O-N 3.07Å; D279-S283 VanDerWaalsContact O-N 3.16Å; D279-S283 PolarHBondContact O-OG 3.34Å; A280-S283 PolarHBondContact O-OG 3.39Å
284	H	49.7	Very low	41.3	Very low	169 Å²	169	115.8 Å²	115.8	78%	0.782	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	12.1	178.8	-71.7	-47.5	0	0	0	114.3	A280 R282	A280-H284 PolarHBondContact O-CD2 2.86Å; R282-H284 PolarHBondContact O-N 3.14Å
285	S	39.5	Very low	41.1	Very low	91 Å²	91	119.6 Å²	119.6	64%	0.636	69%	0.688	S	S	*	*			trans	-115.2	-0.1	-178.1	-48.5	0	0	0	0	114.7	I281 S287	I281-S285 PolarHBondContact O-OG 3.09Å; S285-S287 PolarHBondContact O-N 3.02Å
286	E	31.9	Very low	40.8	Very low	182 Å²	182	116.5 Å²	116.5	85%	0.85	69%	0.694	S	S	*	*			trans	-95.3	83.4	-176.5	-72	-172.5	151.4	0	0	112.1
287	S	33.5	Very low	40.7	Very low	114 Å²	114	114.4 Å²	114.4	80%	0.797	69%	0.692	S	S	*	*			trans	-152	72.8	160.7	62.4	0	0	0	0	110.9	S285	S285-S287 PolarHBondContact O-N 3.02Å
288	A	37.6	Very low	40.1	Very low	94 Å²	94	120.7 Å²	120.7	78%	0.777	73%	0.726	S	S	*	*	S	Bend	trans	-179	95.1	150.5	0	0	0	0	0	111.5
289	S	39.5	Very low	39.6	Very low	125 Å²	125	122 Å²	122	87%	0.874	74%	0.737	S	S	*	*			trans	48.7	135.5	148.3	-52.1	0	0	0	0	123.3
290	P	35.3	Very low	39.4	Very low	122 Å²	122	125.1 Å²	125.1	79%	0.792	75%	0.753	S	S	*	*			trans	-106.1	157.6	-172.6	40.5	-32.5	0	0	0	114.7
291	S	37.4	Very low	38.8	Very low	124 Å²	124	128.1 Å²	128.1	87%	0.867	77%	0.771	S	S	*	*			trans	178.3	139.9	153.3	-73.5	0	0	0	0	108.1
292	A	34.2	Very low	38.1	Very low	82 Å²	82	128.8 Å²	128.8	68%	0.678	78%	0.782	S	S	*	*			cis	-171.1	159.9	-20.1	0	0	0	0	0	105.5
293	L	37	Very low	37.4	Very low	159 Å²	159	126.3 Å²	126.3	83%	0.832	79%	0.788	S	S	*	*			trans	83.7	97	160.9	-56.5	150.1	0	0	0	116.9
294	S	32.4	Very low	36.5	Very low	104 Å²	104	125.6 Å²	125.6	73%	0.727	79%	0.793	S	S	*	*				69.2	114.4	88.1	80	0	0	0	0	112.8
295	S	36.9	Very low	35.8	Very low	123 Å²	123	129.7 Å²	129.7	86%	0.86	80%	0.802	S	S	*	*				-163.4	156.2	70.2	45.6	0	0	0	0	113.3
296	S	35.2	Very low	35.4	Very low	120 Å²	120	130.1 Å²	130.1	84%	0.839	81%	0.805	S	S	*	*			trans	-95.3	177.5	-164.7	-103.7	0	0	0	0	114.1
297	P	41.3	Very low	35.9	Very low	107 Å²	107	129.9 Å²	129.9	70%	0.695	80%	0.804	S	S	*	*			trans	-108.7	-175.5	-138.2	43.2	-39	0	0	0	114.6
298	N	37.5	Very low	36.1	Very low	167 Å²	167	130 Å²	130	89%	0.893	80%	0.802	S	S	*	*			trans	-155.1	135.9	143.4	-99.3	-24.3	0	0	0	114.3
299	N	34.3	Very low	35.7	Very low	148 Å²	148	134.6 Å²	134.6	79%	0.791	81%	0.805	S	S	*	*			trans	-55.2	155.6	169.5	-83.3	-40.6	0	0	0	113
300	L	39.8	Very low	35.5	Very low	169 Å²	169	134.9 Å²	134.9	89%	0.885	80%	0.801	S	S	*	*				169.3	116.3	123.7	-86.6	148.6	0	0	0	110
301	S	34.7	Very low	35.7	Very low	113 Å²	113	134.8 Å²	134.8	79%	0.79	80%	0.8	S	S	*	*			trans	-65.1	155.1	157.1	-54.5	0	0	0	0	109.4
302	P	38.1	Very low	35.7	Very low	122 Å²	122	135.1 Å²	135.1	79%	0.792	80%	0.797	S	S	*	*				-150.3	163.4	100.3	32.4	-11.8	0	0	0	116.4
303	T	32.8	Very low	36.1	Very low	139 Å²	139	136.9 Å²	136.9	85%	0.853	80%	0.801	S	S	*	*			trans	-43.7	147	168.9	45.2	0	0	0	0	117.9
304	G	28.6	Very low	36	Very low	63 Å²	63	133.4 Å²	133.4	65%	0.649	80%	0.796	S	S	*	*			trans	111.6	121.2	141.1	0	0	0	0	0	115.6
305	W	35.2	Very low	36.2	Very low	255 Å²	255	137.7 Å²	137.7	97%	0.966	80%	0.804	S	S	*	*				-178.9	104.8	127.5	-82	-4.3	0	0	0	112
306	S	31.2	Very low	36.2	Very low	100 Å²	100	142.4 Å²	142.4	70%	0.699	80%	0.803	S	S	*	*				24.8	131.3	129.2	-45.9	0	0	0	0	121.3
307	Q	41.1	Very low	36.3	Very low	178 Å²	178	144.4 Å²	144.4	83%	0.832	80%	0.799	S	S	*	*			trans	-154.4	154.4	132.3	-83.2	-42	-51.5	0	0	110.3
308	P	37.2	Very low	35.9	Very low	115 Å²	115	150.8 Å²	150.8	75%	0.747	81%	0.809	S	S	*	*			trans	-112.4	174.8	-139	12.4	12.8	0	0	0	115.1
309	K	29.9	Very low	35.9	Very low	192 Å²	192	147 Å²	147	84%	0.835	80%	0.802	S	S	*	*			trans	-83.5	143	-176.6	-75.5	176.3	173.9	175.9	0	114.8
310	T	35.2	Very low	36.1	Very low	130 Å²	130	146 Å²	146	80%	0.798	80%	0.803	S	S	*	*			trans	69.3	164.6	140.4	55.5	0	0	0	0	119.9
311	P	39.1	Very low	35.9	Very low	120 Å²	120	141.6 Å²	141.6	78%	0.779	80%	0.799	S	S	*	*			cis	-139.3	179.2	9.1	28.4	-2.5	0	0	0	118
312	V	38.2	Very low	36.2	Very low	132 Å²	132	142.3 Å²	142.3	80%	0.8	80%	0.804	S	S	*	*			trans	-71.1	154.3	175.1	-179.9	0	0	0	0	113.4
313	P	41.7	Very low	36.2	Very low	118 Å²	118	139.2 Å²	139.2	77%	0.766	79%	0.794	S	S	*	*				-141.9	130.8	124.7	24.4	-3.9	0	0	0	112.7
314	A	36.3	Very low	36.7	Very low	86 Å²	86	139.7 Å²	139.7	71%	0.711	80%	0.797	S	S	*	*				81.7	109.2	78.3	0	0	0	0	0	115.7
315	Q	34.9	Very low	37.2	Very low	194 Å²	194	145.8 Å²	145.8	91%	0.907	81%	0.809	S	S	*	*			trans	23.7	126.9	147.1	-72.4	-179.9	-39.6	0	0	122
316	R	38.8	Very low	37.8	Very low	222 Å²	222	142.5 Å²	142.5	84%	0.838	80%	0.804	S	S	*	*			trans	172.9	148.1	134.4	-103.7	-177.9	151.4	153.5	0.4	108.5
317	E	36.7	Very low	38.3	Very low	162 Å²	162	147.7 Å²	147.7	76%	0.757	81%	0.814	S	S	*	*			cis	-167.5	164	-12.5	-124.8	170.3	159.2	0	0	105
318	R	31.6	Very low	38.4	Very low	241 Å²	241	146.5 Å²	146.5	91%	0.909	81%	0.813	S	S	*	*			trans	-107	121.8	-159	-170.1	179.3	-156.9	172.9	4.3	112.8
319	A	38.8	Very low	38.8	Very low	89 Å²	89	150.3 Å²	150.3	74%	0.736	82%	0.818	S	S	*	*			trans	55.7	171.4	148.7	0	0	0	0	0	118.6
320	P	39	Very low	39.6	Very low	125 Å²	125	149 Å²	149	81%	0.812	82%	0.819	S	S	*	*			cis	-141.3	170.4	10.3	40.5	-20	0	0	0	118.1
321	G	34.9	Very low	40	Very low	78 Å²	78	153.5 Å²	153.5	80%	0.804	82%	0.821	S	S	*	*			trans	91.8	104.4	130.7	0	0	0	0	0	120.2
322	S	41.5	Very low	40.2	Very low	127 Å²	127	153.5 Å²	153.5	89%	0.888	82%	0.821	S	S	*	*			trans	160.8	122.3	138.4	-174.2	0	0	0	0	106.1
323	G	36.8	Very low	40.5	Very low	58 Å²	58	159.1 Å²	159.1	60%	0.598	83%	0.828	S	S	*	*			cis	132.2	93.7	27.2	0	0	0	0	0	106
324	T	44.6	Very low	40.5	Very low	149 Å²	149	156.5 Å²	156.5	91%	0.914	82%	0.823	S	S	*	*			trans	-176.7	122.3	148.9	13.3	0	0	0	0	109.8
325	Q	38.5	Very low	41	Very low	191 Å²	191	162 Å²	162	89%	0.893	83%	0.833	S	S	*	*			trans	-71.8	122.6	177	-68.5	-178.6	-2.5	0	0	109.9
326	E	46.7	Very low	41.5	Very low	186 Å²	186	164 Å²	164	87%	0.869	83%	0.833	S	S	*	*			trans	-133.7	122.2	155	-115.9	-173.7	152.5	0	0	110	N328	E326-N328 PolarHBondContact O-N 2.82Å
327	K	42.8	Very low	42.5	Very low	209 Å²	209	159 Å²	159	91%	0.909	82%	0.823	S	S	*	*			trans	-64.6	89.1	-177.1	-73.8	172.6	172.9	172.3	0	110.3	K329	K327-K329 PolarHBondContact O-N 2.91Å; K327-K329 VanDerWaalsContact O-N 3.09Å
328	N	43.1	Very low	44	Very low	152 Å²	152	154.1 Å²	154.1	81%	0.813	81%	0.806	S	S	*	*			trans	-75.9	97.2	168.9	-92.8	-29.6	0	0	0	110.7	E326 I330	E326-N328 PolarHBondContact O-N 2.82Å; N328-I330 PolarHBondContact O-N 3.04Å
329	K	45.7	Very low	45.7	Very low	196 Å²	196	144.2 Å²	144.2	85%	0.852	77%	0.774	S	S	*	*			trans	-49.6	107.9	158.7	-96.4	176.3	171.6	176	0	109	K327 R331	K327-K329 PolarHBondContact O-N 2.91Å; K327-K329 VanDerWaalsContact O-N 3.09Å; K329-R331 PolarHBondContact O-N 2.95Å
330	I	46	Very low	47	Very low	165 Å²	165	148.2 Å²	148.2	85%	0.846	77%	0.771	S	S	*	*			trans	-63.2	101.3	168.7	-61.4	166.9	0	0	0	107.2	N328	N328-I330 PolarHBondContact O-N 3.04Å
331	R	44.4	Very low	48.8	Very low	223 Å²	223	151.2 Å²	151.2	84%	0.842	77%	0.768	S	S	*	*			trans	-68.9	135.7	167.3	-72.5	-176.5	176.8	-172.4	-0.5	108.2	K329 R333	K329-R331 PolarHBondContact O-N 2.95Å; R331-R333 PolarHBondContact O-N 3.45Å
332	P	42.9	Very low	51.3	Low	121 Å²	121	151.9 Å²	151.9	79%	0.786	75%	0.746	S	S	*	*			trans	-63.2	123.2	175.7	25.9	-30.1	0	0	0	108.2	G334	P332-G334 PolarHBondContact O-N 2.9Å
333	R	44.3	Very low	53.7	Low	250 Å²	250	149 Å²	149	94%	0.943	72%	0.718	S	S	*	*			trans	-56.5	105.6	170.4	-88.1	-179.4	170.5	173.7	-2.8	107.5	R331 Q335	R331-R333 PolarHBondContact O-N 3.45Å; R333-Q335 PolarHBondContact O-N 2.78Å
334	G	42.6	Very low	56.3	Low	63 Å²	63	146.6 Å²	146.6	65%	0.649	69%	0.692	S	S	*	*			trans	-51.3	132.3	172.6	0	0	0	0	0	109.6	P332 R336	P332-G334 PolarHBondContact O-N 2.9Å; G334-R336 VanDerWaalsContact C-N 3.27Å; G334-R336 PolarHBondContact O-N 3.44Å
335	Q	46.4	Very low	58.6	Low	200 Å²	200	143.5 Å²	143.5	94%	0.935	67%	0.667	S	S	*	*			trans	-59.1	87.5	177.6	-158	174.3	18.6	0	0	108.2	R333 D337	R333-Q335 PolarHBondContact O-N 2.78Å; Q335-D337 PolarHBondContact O-N 3.36Å; Q335-D337 VanDerWaalsContact O-N 3.09Å
336	R	46	Very low	61	Low	237 Å²	237	135.6 Å²	135.6	89%	0.894	63%	0.634	S	S	*	*			trans	-63.6	113.1	176.8	-88.4	-176.3	174.4	174.2	-2.8	107.5	G334 S338	G334-R336 VanDerWaalsContact C-N 3.27Å; G334-R336 PolarHBondContact O-N 3.44Å; R336-S338 PolarHBondContact O-N 3.42Å
337	D	58.9	Low	63.2	Low	118 Å²	118	131.8 Å²	131.8	63%	0.631	63%	0.628	S	S	*	*			trans	-57.4	122.2	173.3	-174.9	4.4	0	0	0	108.9	Q335 S339	Q335-D337 PolarHBondContact O-N 3.36Å; Q335-D337 VanDerWaalsContact O-N 3.09Å; D337-S339 VanDerWaalsContact CG-CB 3.48Å; D337-S339 PolarHBondContact O-N 2.88Å; D337-S339 VanDerWaalsContact O-N 3.1Å; D337-S339 WeakPolarHBondContact OD1-CB 3.38Å; D337-S339 PolarHBondContact OD1-N 3.16Å; D337-S339 VanDerWaalsContact OD1-N 3.09Å; D337-S339 PolarHBondContact OD1-OG 2.85Å; D337-S339 VanDerWaalsContact OD2-CB 3.24Å; D337-S339 WeakPolarHBondContact OD2-CB 3.26Å; D337-S339 PolarHBondContact OD2-OG 2.79Å
338	S	69.4	Low	65.6	Low	59 Å²	59	126.3 Å²	126.3	41%	0.413	61%	0.606	S	S	.	*	G	3₁₀ helix	trans	-69.9	-1.6	179.2	-176.6	0	0	0	0	111.4	R336 Y340 Y341 R398	R336-S338 PolarHBondContact O-N 3.42Å; S338-Y340 PolarHBondContact O-N 2.95Å; S338-Y341 PolarHBondContact O-N 3.12Å; S338-R398 VanDerWaalsContact C-NH2 3.29Å; S338-R398 VanDerWaalsContact O-CZ 3.31Å; S338-R398 PolarHBondContact O-NH1 3.22Å; S338-R398 PolarHBondContact O-NH2 3.16Å; S338-R398 PolarHBondContact OG-NH2 3.43Å
339	S	66.1	Low	68.1	Low	32 Å²	32	119.7 Å²	119.7	22%	0.224	57%	0.571	C	S	.	*	G	3₁₀ helix	trans	-43.4	-44.4	173.8	56.7	0	0	0	0	113.4	D337 Y341 W342 R398 Y411	D337-S339 VanDerWaalsContact CG-CB 3.48Å; D337-S339 PolarHBondContact O-N 2.88Å; D337-S339 VanDerWaalsContact O-N 3.1Å; D337-S339 WeakPolarHBondContact OD1-CB 3.38Å; D337-S339 PolarHBondContact OD1-N 3.16Å; D337-S339 VanDerWaalsContact OD1-N 3.09Å; D337-S339 PolarHBondContact OD1-OG 2.85Å; D337-S339 VanDerWaalsContact OD2-CB 3.24Å; D337-S339 WeakPolarHBondContact OD2-CB 3.26Å; D337-S339 PolarHBondContact OD2-OG 2.79Å; S339-Y341 VanDerWaalsContact C-N 3.31Å; S339-Y341 PolarHBondContact O-N 3.44Å; S339-W342 PolarHBondContact O-N 2.85Å; S339-R398 PolarHBondContact O-NH1 2.92Å; S339-Y411 PolarHBondContact O-OH 3.36Å
340	Y	66.8	Low	70.4	Confident	174 Å²	174	116.7 Å²	116.7	68%	0.682	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-58.1	-33.2	-175.9	-173.2	-99.3	0	0	0	114.9	S338 W342 E343	S338-Y340 PolarHBondContact O-N 2.95Å; Y340-W342 PolarHBondContact O-N 3.44Å; Y340-W342 VanDerWaalsContact O-N 3.15Å; Y340-E343 PolarHBondContact O-N 2.7Å
341	Y	76.8	Confident	72.7	Confident	188 Å²	188	112.5 Å²	112.5	74%	0.737	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-71.4	-8.7	-176.3	-71.4	-77.1	0	0	0	114.9	S338 S339	S338-Y341 PolarHBondContact O-N 3.12Å; S339-Y341 VanDerWaalsContact C-N 3.31Å; S339-Y341 PolarHBondContact O-N 3.44Å
342	W	87	Confident	75.1	Confident	91 Å²	91	105 Å²	105	35%	0.345	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-122.3	0.1	-174.8	-59.3	70.4	0	0	0	112.4	S339 Y340 R398 F408 G410 Y411	S339-W342 PolarHBondContact O-N 2.85Å; Y340-W342 PolarHBondContact O-N 3.44Å; Y340-W342 VanDerWaalsContact O-N 3.15Å; W342-R398 HydrophobicContact CD2-CG 4.1Å; W342-R398 HydrophobicContact CE3-CG 4.47Å; W342-R398 HydrophobicContact CG-CG 4.2Å; W342-F408 HydrophobicContact CD2-CE1 4.48Å; W342-F408 HydrophobicContact CE3-CD1 4.12Å; W342-F408 AromaticContact CE3-CE1 3.92Å; W342-F408 HydrophobicContact CE3-CE1 3.92Å; W342-F408 HydrophobicContact CZ3-CD1 4.39Å; W342-G410 CarbonylContact O-C 3.58Å; W342-G410 WeakPolarHBondContact O-CA 3.45Å; W342-Y411 HydrophobicContact CB-CD1 4.19Å; W342-Y411 HydrophobicContact CB-CE1 3.92Å; W342-Y411 WeakPolarHBondContact O-CD1 3.31Å; W342-Y411 WeakPolarHBondContact O-CE1 3.05Å; W342-Y411 PolarHBondContact O-N 3.25Å
343	E	91.6	Very high	77.5	Confident	67 Å²	67	103.8 Å²	103.8	31%	0.313	51%	0.513	S	S	.	.	B	Isolated β-bridge	trans	-82.2	122.3	171.9	-172.3	166.4	-161.1	0	0	108.1	Y340 Y411 T413	Y340-E343 PolarHBondContact O-N 2.7Å; E343-Y411 CarbonylContact C-O 3.6Å; E343-Y411 WeakPolarHBondContact CA-O 3.46Å; E343-Y411 HydrophobicContact CB-CE1 4.15Å; E343-Y411 HydrophobicContact CB-CE2 4.08Å; E343-Y411 HydrophobicContact CG-CE2 4.08Å; E343-T413 WeakPolarHBondContact OE1-CB 3.48Å; E343-T413 VanDerWaalsContact OE1-CG2 3.28Å; E343-T413 WeakPolarHBondContact OE1-CG2 3.39Å; E343-T413 PolarHBondContact OE1-OG1 3.01Å
344	I	92.8	Very high	80	Confident	7 Å²	7	99.2 Å²	99.2	4%	0.036	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-102.9	132.3	-176.9	-58.5	168.6	0	0	0	107.8	E348 V349 W368 Y411 M412 V420	I344-E348 HydrophobicContact CG2-CB 4.16Å; I344-V349 HydrophobicContact CG2-CG2 3.52Å; I344-W368 HydrophobicContact CD1-CD2 3.94Å; I344-W368 HydrophobicContact CD1-CE3 4.09Å; I344-W368 HydrophobicContact CD1-CH2 3.85Å; I344-W368 HydrophobicContact CD1-CZ2 3.7Å; I344-W368 HydrophobicContact CD1-CZ3 4.06Å; I344-W368 HydrophobicContact CG1-CH2 4.21Å; I344-W368 HydrophobicContact CG1-CZ2 3.72Å; I344-W368 HydrophobicContact CG2-CZ2 4.39Å; I344-Y411 PolarHBondContact N-O 3.14Å; I344-M412 HydrophobicContact CB-CG 4.23Å; I344-V420 HydrophobicContact CD1-CB 3.99Å; I344-V420 HydrophobicContact CD1-CG1 4.34Å; I344-V420 HydrophobicContact CD1-CG2 3.89Å
345	E	91.8	Very high	82.3	Confident	85 Å²	85	100.6 Å²	100.6	40%	0.397	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-71.6	137.5	173.4	-57.4	-150.3	130.3	0	0	110.6	S347 E348 K414	E345-S347 PolarHBondContact O-N 3.09Å; E345-S347 VanDerWaalsContact O-N 3.12Å; E345-E348 HydrophobicContact CB-CG 4.23Å; E345-E348 WeakPolarHBondContact O-CB 3.33Å; E345-E348 PolarHBondContact O-N 2.93Å; E345-K414 IonicContact OE1-NZ 2.83Å; E345-K414 PolarHBondContact OE1-NZ 2.97Å
346	A	90.1	Very high	84.2	Confident	25 Å²	25	92.5 Å²	92.5	21%	0.207	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-59.6	-27.8	-177.3	0	0	0	0	0	113.3	E348 V349 M412	A346-E348 PolarHBondContact O-N 3.29Å; A346-V349 PolarHBondContact O-N 3.12Å; A346-M412 HydrophobicContact CB-CE 3.52Å
347	S	92.4	Very high	86.1	Confident	105 Å²	105	83.8 Å²	83.8	73%	0.734	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-64.9	-22.9	174.2	48.3	0	0	0	0	114	E345	E345-S347 PolarHBondContact O-N 3.09Å; E345-S347 VanDerWaalsContact O-N 3.12Å
348	E	93.1	Very high	86.8	Confident	95 Å²	95	80.2 Å²	80.2	44%	0.444	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-82.6	-18.4	179.8	-62.9	179	-162.3	0	0	113	I344 E345 A346 W368	I344-E348 HydrophobicContact CG2-CB 4.16Å; E345-E348 HydrophobicContact CB-CG 4.23Å; E345-E348 WeakPolarHBondContact O-CB 3.33Å; E345-E348 PolarHBondContact O-N 2.93Å; A346-E348 PolarHBondContact O-N 3.29Å; E348-W368 PolarHBondContact OE2-NE1 3.3Å
349	V	94.2	Very high	86.7	Confident	13 Å²	13	81.5 Å²	81.5	8%	0.079	43%	0.433	C	S	.	.			trans	-105.7	112.6	-172.5	-175.9	0	0	0	0	110.3	I344 A346 L351 W368 V374 M412	I344-V349 HydrophobicContact CG2-CG2 3.52Å; A346-V349 PolarHBondContact O-N 3.12Å; V349-L351 HydrophobicContact CG1-CD2 4.28Å; V349-L351 PolarHBondContact O-N 3.08Å; V349-W368 HydrophobicContact CG2-CB 4.19Å; V349-W368 HydrophobicContact CG2-CG 4.14Å; V349-V374 HydrophobicContact CG1-CG2 3.74Å; V349-M412 HydrophobicContact CB-SD 4.34Å; V349-M412 HydrophobicContact CG2-SD 4.03Å
350	M	95.4	Very high	87	Confident	132 Å²	132	81.8 Å²	81.8	65%	0.65	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	106.3	173.5	-174.8	-176.9	-67	0	0	110	G366 K367	M350-G366 CarbonylContact O-C 3.46Å; M350-G366 WeakPolarHBondContact O-CA 3.31Å; M350-K367 HydrophobicContact CB-CB 4.37Å; M350-K367 PolarHBondContact N-O 3.11Å; M350-K367 PolarHBondContact O-N 3.44Å
351	L	94.5	Very high	87.7	Confident	78 Å²	78	73.6 Å²	73.6	41%	0.408	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	138.2	173.3	-62.3	176.2	0	0	0	110.8	V349 V374 I376	V349-L351 HydrophobicContact CG1-CD2 4.28Å; V349-L351 PolarHBondContact O-N 3.08Å; L351-V374 HydrophobicContact CD2-CB 3.72Å; L351-V374 HydrophobicContact CD2-CG1 3.81Å; L351-V374 HydrophobicContact CD2-CG2 3.84Å; L351-I376 HydrophobicContact CD1-CD1 3.89Å
352	S	93.4	Very high	88.3	Confident	65 Å²	65	65.5 Å²	65.5	46%	0.455	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	-118.2	179	68.2	0	0	0	0	110.9	K365	S352-K365 WeakPolarHBondContact CA-O 3.48Å; S352-K365 WeakPolarHBondContact CB-O 3.24Å; S352-K365 PolarHBondContact N-O 3.33Å; S352-K365 VanDerWaalsContact OG-C 3.23Å; S352-K365 PolarHBondContact OG-O 3.05Å
353	T	94.9	Very high	88.6	Confident	96 Å²	96	63.1 Å²	63.1	59%	0.589	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	133.2	-175.2	-51.5	0	0	0	0	111.8	I355 Y364 K365	T353-I355 HydrophobicContact CG2-CD1 4.49Å; T353-I355 PolarHBondContact O-N 3.16Å; T353-Y364 WeakPolarHBondContact O-CA 3.37Å; T353-K365 PolarHBondContact O-N 3.05Å
354	R	95.4	Very high	88.7	Confident	154 Å²	154	62.8 Å²	62.8	58%	0.581	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	121.7	167.4	-178.9	177.3	163.8	-170.6	-6.1	109.8	T362 Y364	R354-T362 HydrophobicContact CG-CG2 3.82Å; R354-Y364 HydrophobicContact CB-CD1 3.8Å; R354-Y364 HydrophobicContact CB-CE1 3.6Å; R354-Y364 HydrophobicContact CG-CD1 4.32Å; R354-Y364 HydrophobicContact CG-CE1 3.92Å
355	I	91.3	Very high	88.9	Confident	91 Å²	91	64.5 Å²	64.5	47%	0.467	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-43.7	-177.4	-56.3	-55.3	0	0	0	111.5	T353 V363 K365 W423	T353-I355 HydrophobicContact CG2-CD1 4.49Å; T353-I355 PolarHBondContact O-N 3.16Å; I355-V363 HydrophobicContact CB-CG1 4.46Å; I355-V363 PolarHBondContact N-O 3.15Å; I355-K365 HydrophobicContact CD1-CB 4.1Å; I355-K365 HydrophobicContact CG1-CB 4.27Å; I355-W423 HydrophobicContact CD1-CH2 3.7Å; I355-W423 HydrophobicContact CD1-CZ3 4.23Å; I355-W423 HydrophobicContact CG1-CH2 3.84Å; I355-W423 HydrophobicContact CG1-CZ3 3.91Å
356	G	85.9	Confident	89.1	Confident	31 Å²	31	60.4 Å²	60.4	32%	0.32	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	162.4	-177.1	0	0	0	0	0	112.5	T362 V363	G356-T362 CarbonylContact O-C 3.55Å; G356-T362 WeakPolarHBondContact O-CA 3.35Å; G356-T362 WeakPolarHBondContact O-CG2 3.41Å; G356-V363 PolarHBondContact N-O 3.39Å; G356-V363 PolarHBondContact O-N 3.39Å
357	S	85.5	Confident	89.4	Confident	53 Å²	53	65.3 Å²	65.3	37%	0.371	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123.7	174.3	-165.4	0	0	0	0	109.2	T362 K378	S357-T362 PolarHBondContact OG-OG1 2.54Å; S357-K378 WeakPolarHBondContact OG-CE 3.49Å; S357-K378 PolarHBondContact OG-NZ 2.83Å
358	G	74	Confident	89.5	Confident	43 Å²	43	62.7 Å²	62.7	44%	0.443	34%	0.339	S	S	.	.			trans	-100.7	-170.5	175.2	0	0	0	0	0	111.8	F360 G361 K378	G358-F360 PolarHBondContact O-N 3.16Å; G358-G361 PolarHBondContact N-O 2.94Å; G358-K378 WeakPolarHBondContact O-CE 3.31Å; G358-K378 PolarHBondContact O-NZ 3.32Å
359	S	68	Low	89.6	Confident	87 Å²	87	66.6 Å²	66.6	61%	0.608	36%	0.357	S	S	*	.	S	Bend	trans	-64	-25.6	176.1	41	0	0	0	0	113.6
360	F	71.3	Confident	89.6	Confident	38 Å²	38	68 Å²	68	17%	0.167	37%	0.374	C	S	.	.	S	Bend	trans	-113.7	-14.7	-168.6	-49.4	-62.2	0	0	0	114.4	G358 L377 K378 K493	G358-F360 PolarHBondContact O-N 3.16Å; F360-L377 WeakPolarHBondContact O-CA 3.41Å; F360-K378 PolarHBondContact O-N 2.93Å; F360-K493 VanDerWaalsContact CD1-CA 3.46Å; F360-K493 HydrophobicContact CD1-CB 4.02Å; F360-K493 HydrophobicContact CD1-CG 3.94Å; F360-K493 HydrophobicContact CD2-CB 4.25Å; F360-K493 HydrophobicContact CD2-CD 3.81Å; F360-K493 HydrophobicContact CD2-CG 3.42Å; F360-K493 VanDerWaalsContact CD2-CG 3.42Å; F360-K493 HydrophobicContact CE1-CB 3.61Å; F360-K493 HydrophobicContact CE1-CG 3.89Å; F360-K493 WeakPolarHBondContact CE1-O 3.46Å; F360-K493 HydrophobicContact CE2-CB 3.79Å; F360-K493 HydrophobicContact CE2-CD 3.4Å; F360-K493 VanDerWaalsContact CE2-CD 3.4Å; F360-K493 HydrophobicContact CE2-CG 3.28Å; F360-K493 HydrophobicContact CG-CB 4.31Å; F360-K493 HydrophobicContact CG-CG 3.7Å; F360-K493 HydrophobicContact CZ-CB 3.44Å; F360-K493 VanDerWaalsContact CZ-CB 3.44Å; F360-K493 HydrophobicContact CZ-CD 3.96Å; F360-K493 HydrophobicContact CZ-CG 3.52Å; F360-K493 WeakPolarHBondContact CZ-O 3.27Å
361	G	81.9	Confident	89.7	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.01	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	168.5	-172.5	0	0	0	0	0	112.8	G358 I376	G358-G361 PolarHBondContact N-O 2.94Å; G361-I376 CarbonylContact C-O 3.55Å; G361-I376 WeakPolarHBondContact CA-O 3.09Å
362	T	90.5	Very high	89.7	Confident	19 Å²	19	60.8 Å²	60.8	12%	0.117	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.2	171.8	-57.1	0	0	0	0	108.5	R354 G356 S357 Y364 I376	R354-T362 HydrophobicContact CG-CG2 3.82Å; G356-T362 CarbonylContact O-C 3.55Å; G356-T362 WeakPolarHBondContact O-CA 3.35Å; G356-T362 WeakPolarHBondContact O-CG2 3.41Å; S357-T362 PolarHBondContact OG-OG1 2.54Å; T362-Y364 HydrophobicContact CG2-CD2 4.22Å; T362-Y364 HydrophobicContact CG2-CE2 3.47Å; T362-Y364 VanDerWaalsContact CG2-CE2 3.47Å; T362-I376 PolarHBondContact N-O 3.43Å; T362-I376 PolarHBondContact O-N 3.03Å
363	V	92.3	Very high	89.8	Confident	41 Å²	41	58.4 Å²	58.4	25%	0.248	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.4	-179.7	-176.7	0	0	0	0	109.1	I355 G356 A373 V374 K375	I355-V363 HydrophobicContact CB-CG1 4.46Å; I355-V363 PolarHBondContact N-O 3.15Å; G356-V363 PolarHBondContact N-O 3.39Å; G356-V363 PolarHBondContact O-N 3.39Å; V363-A373 HydrophobicContact CG1-CB 4.4Å; V363-V374 CarbonylContact C-O 3.59Å; V363-V374 WeakPolarHBondContact CA-O 3.18Å; V363-K375 HydrophobicContact CG2-CB 4.14Å; V363-K375 HydrophobicContact CG2-CD 4.31Å; V363-K375 HydrophobicContact CG2-CG 3.93Å
364	Y	95.1	Very high	89.8	Confident	59 Å²	59	53.9 Å²	53.9	23%	0.231	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	146.7	173.9	-63.3	-95.9	0	0	0	109.1	T353 R354 T362 V374 I376	T353-Y364 WeakPolarHBondContact O-CA 3.37Å; R354-Y364 HydrophobicContact CB-CD1 3.8Å; R354-Y364 HydrophobicContact CB-CE1 3.6Å; R354-Y364 HydrophobicContact CG-CD1 4.32Å; R354-Y364 HydrophobicContact CG-CE1 3.92Å; T362-Y364 HydrophobicContact CG2-CD2 4.22Å; T362-Y364 HydrophobicContact CG2-CE2 3.47Å; T362-Y364 VanDerWaalsContact CG2-CE2 3.47Å; Y364-V374 PolarHBondContact N-O 3.3Å; Y364-V374 PolarHBondContact O-N 2.92Å; Y364-I376 HydrophobicContact CD2-CD1 3.92Å; Y364-I376 HydrophobicContact CD2-CG1 4.25Å; Y364-I376 HydrophobicContact CE2-CB 4.48Å; Y364-I376 HydrophobicContact CE2-CD1 3.76Å; Y364-I376 HydrophobicContact CE2-CG1 4.3Å
365	K	96.1	Very high	89.6	Confident	43 Å²	43	47.6 Å²	47.6	19%	0.187	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	137.1	158.8	-174.9	170.4	-176.5	169.7	0	107.1	S352 T353 I355 D371 W423 E425	S352-K365 WeakPolarHBondContact CA-O 3.48Å; S352-K365 WeakPolarHBondContact CB-O 3.24Å; S352-K365 PolarHBondContact N-O 3.33Å; S352-K365 VanDerWaalsContact OG-C 3.23Å; S352-K365 PolarHBondContact OG-O 3.05Å; T353-K365 PolarHBondContact O-N 3.05Å; I355-K365 HydrophobicContact CD1-CB 4.1Å; I355-K365 HydrophobicContact CG1-CB 4.27Å; K365-D371 VanDerWaalsContact CE-CG 3.43Å; K365-D371 WeakPolarHBondContact CE-OD2 3.48Å; K365-D371 IonicContact NZ-OD2 3.62Å; K365-D371 PolarHBondContact NZ-OD2 3.49Å; K365-W423 HydrophobicContact CB-CE3 4.15Å; K365-W423 HydrophobicContact CB-CH2 4.05Å; K365-W423 HydrophobicContact CB-CZ3 3.75Å; K365-W423 HydrophobicContact CD-CD2 4.07Å; K365-W423 HydrophobicContact CD-CE3 4.27Å; K365-W423 HydrophobicContact CD-CH2 4.05Å; K365-W423 HydrophobicContact CD-CZ2 3.81Å; K365-W423 HydrophobicContact CD-CZ3 4.26Å; K365-W423 HydrophobicContact CG-CD2 4.13Å; K365-W423 HydrophobicContact CG-CE3 3.9Å; K365-W423 HydrophobicContact CG-CH2 4.24Å; K365-W423 HydrophobicContact CG-CZ2 4.42Å; K365-W423 HydrophobicContact CG-CZ3 3.97Å; K365-E425 IonicContact NZ-OE1 3.97Å
366	G	95.9	Very high	89.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	176.2	176.8	0	0	0	0	0	112	M350 V372	M350-G366 CarbonylContact O-C 3.46Å; M350-G366 WeakPolarHBondContact O-CA 3.31Å; G366-V372 PolarHBondContact N-O 3.13Å; G366-V372 WeakPolarHBondContact O-CG2 3.39Å; G366-V372 PolarHBondContact O-N 2.9Å
367	K	96.8	Very high	89.6	Confident	127 Å²	127	43.3 Å²	43.3	55%	0.552	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.7	171.2	-68.7	-171.2	173.6	-174.8	0	110.7	M350 G370	M350-K367 HydrophobicContact CB-CB 4.37Å; M350-K367 PolarHBondContact N-O 3.11Å; M350-K367 PolarHBondContact O-N 3.44Å; K367-G370 CarbonylContact C-O 3.43Å; K367-G370 VanDerWaalsContact CA-O 3.29Å; K367-G370 WeakPolarHBondContact CA-O 3.22Å
368	W	95.1	Very high	89.4	Confident	51 Å²	51	46.3 Å²	46.3	19%	0.193	25%	0.249	C	C	.	.	S	Bend	trans	-154.4	105.8	170.7	-177.8	78.3	0	0	0	107.9	I344 E348 V349 G370 V372 M409	I344-W368 HydrophobicContact CD1-CD2 3.94Å; I344-W368 HydrophobicContact CD1-CE3 4.09Å; I344-W368 HydrophobicContact CD1-CH2 3.85Å; I344-W368 HydrophobicContact CD1-CZ2 3.7Å; I344-W368 HydrophobicContact CD1-CZ3 4.06Å; I344-W368 HydrophobicContact CG1-CH2 4.21Å; I344-W368 HydrophobicContact CG1-CZ2 3.72Å; I344-W368 HydrophobicContact CG2-CZ2 4.39Å; E348-W368 PolarHBondContact OE2-NE1 3.3Å; V349-W368 HydrophobicContact CG2-CB 4.19Å; V349-W368 HydrophobicContact CG2-CG 4.14Å; W368-G370 PolarHBondContact N-O 3.18Å; W368-G370 PolarHBondContact O-N 3.4Å; W368-V372 HydrophobicContact CB-CG1 4.2Å; W368-V372 HydrophobicContact CB-CG2 4.07Å; W368-V372 WeakPolarHBondContact O-CG1 3.47Å; W368-M409 HydrophobicContact CE3-CB 4.43Å; W368-M409 HydrophobicContact CZ3-CB 3.96Å
369	H	94.1	Very high	89.6	Confident	176 Å²	176	46.4 Å²	46.4	82%	0.815	24%	0.241	S	C	*	.	S	Bend	trans	49.7	28.2	-169.5	-60.5	-60.3	0	0	0	115.1
370	G	94.7	Very high	90	Very high	43 Å²	43	48.6 Å²	48.6	44%	0.443	25%	0.25	S	S	.	.	S	Bend	trans	135.1	-175.8	-172.1	0	0	0	0	0	111.1	K367 W368	K367-G370 CarbonylContact C-O 3.43Å; K367-G370 VanDerWaalsContact CA-O 3.29Å; K367-G370 WeakPolarHBondContact CA-O 3.22Å; W368-G370 PolarHBondContact N-O 3.18Å; W368-G370 PolarHBondContact O-N 3.4Å
371	D	96.4	Very high	90.5	Very high	59 Å²	59	53.6 Å²	53.6	32%	0.316	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	129	175.9	-78.5	-4.5	0	0	0	110.7	K365 W423	K365-D371 VanDerWaalsContact CE-CG 3.43Å; K365-D371 WeakPolarHBondContact CE-OD2 3.48Å; K365-D371 IonicContact NZ-OD2 3.62Å; K365-D371 PolarHBondContact NZ-OD2 3.49Å; D371-W423 HydrophobicContact CB-CB 3.9Å; D371-W423 HydrophobicContact CB-CG 4.14Å; D371-W423 VanDerWaalsContact O-CB 3.29Å; D371-W423 WeakPolarHBondContact O-CB 3.37Å; D371-W423 PolarHBondContact O-N 3.39Å
372	V	96.4	Very high	90.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	156.5	-177.8	-59.3	0	0	0	0	111.7	G366 W368 V374 M409 V420 T421	G366-V372 PolarHBondContact N-O 3.13Å; G366-V372 WeakPolarHBondContact O-CG2 3.39Å; G366-V372 PolarHBondContact O-N 2.9Å; W368-V372 HydrophobicContact CB-CG1 4.2Å; W368-V372 HydrophobicContact CB-CG2 4.07Å; W368-V372 WeakPolarHBondContact O-CG1 3.47Å; V372-V374 HydrophobicContact CG2-CG2 3.87Å; V372-M409 HydrophobicContact CB-SD 4.28Å; V372-M409 HydrophobicContact CG1-CE 4.29Å; V372-M409 HydrophobicContact CG1-SD 3.43Å; V372-M409 WeakPolarHBondContact CG1-SD 3.26Å; V372-V420 HydrophobicContact CB-CG1 3.81Å; V372-V420 HydrophobicContact CG1-CG1 4.15Å; V372-V420 HydrophobicContact CG2-CG1 3.92Å; V372-T421 WeakPolarHBondContact CA-O 3.48Å
373	A	94.7	Very high	90.1	Very high	15 Å²	15	56.9 Å²	56.9	12%	0.124	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.9	166.9	0	0	0	0	0	109.1	V363 V420 T421 W423	V363-A373 HydrophobicContact CG1-CB 4.4Å; A373-V420 WeakPolarHBondContact O-CA 3.16Å; A373-T421 PolarHBondContact N-O 3.43Å; A373-T421 PolarHBondContact O-N 3.42Å; A373-W423 HydrophobicContact CB-CE3 4.08Å
374	V	94.2	Very high	89.7	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	110.5	-179.4	-171.6	0	0	0	0	109	V349 L351 V363 Y364 V372 I376 M412 A418 V420	V349-V374 HydrophobicContact CG1-CG2 3.74Å; L351-V374 HydrophobicContact CD2-CB 3.72Å; L351-V374 HydrophobicContact CD2-CG1 3.81Å; L351-V374 HydrophobicContact CD2-CG2 3.84Å; V363-V374 CarbonylContact C-O 3.59Å; V363-V374 WeakPolarHBondContact CA-O 3.18Å; Y364-V374 PolarHBondContact N-O 3.3Å; Y364-V374 PolarHBondContact O-N 2.92Å; V372-V374 HydrophobicContact CG2-CG2 3.87Å; V374-I376 HydrophobicContact CG1-CG1 4.29Å; V374-M412 HydrophobicContact CG1-SD 4.28Å; V374-A418 HydrophobicContact CG1-CB 3.98Å; V374-V420 HydrophobicContact CG1-CG2 4.41Å; V374-V420 HydrophobicContact CG2-CG2 4.47Å
375	K	91.4	Very high	89.1	Confident	23 Å²	23	60.9 Å²	60.9	10%	0.1	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	99.6	177.8	-173.8	175.6	-168.4	175.2	0	109.6	V363 A418 I419 D486	V363-K375 HydrophobicContact CG2-CB 4.14Å; V363-K375 HydrophobicContact CG2-CD 4.31Å; V363-K375 HydrophobicContact CG2-CG 3.93Å; K375-A418 CarbonylContact O-C 3.56Å; K375-A418 WeakPolarHBondContact O-CA 3.42Å; K375-I419 PolarHBondContact N-O 2.83Å; K375-I419 PolarHBondContact O-N 2.81Å; K375-D486 IonicContact NZ-OD1 3.95Å; K375-D486 PolarHBondContact NZ-OD1 3.48Å; K375-D486 IonicContact NZ-OD2 3.85Å; K375-D486 PolarHBondContact NZ-OD2 2.99Å
376	I	91.4	Very high	88.3	Confident	23 Å²	23	60.7 Å²	60.7	12%	0.118	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	121	174.6	-61.8	178.8	0	0	0	108.6	L351 G361 T362 Y364 V374 N416 A418	L351-I376 HydrophobicContact CD1-CD1 3.89Å; G361-I376 CarbonylContact C-O 3.55Å; G361-I376 WeakPolarHBondContact CA-O 3.09Å; T362-I376 PolarHBondContact N-O 3.43Å; T362-I376 PolarHBondContact O-N 3.03Å; Y364-I376 HydrophobicContact CD2-CD1 3.92Å; Y364-I376 HydrophobicContact CD2-CG1 4.25Å; Y364-I376 HydrophobicContact CE2-CB 4.48Å; Y364-I376 HydrophobicContact CE2-CD1 3.76Å; Y364-I376 HydrophobicContact CE2-CG1 4.3Å; V374-I376 HydrophobicContact CG1-CG1 4.29Å; I376-N416 HydrophobicContact CG2-CB 3.89Å; I376-A418 HydrophobicContact CG1-CB 4.08Å
377	L	86.4	Confident	87.6	Confident	8 Å²	8	62.7 Å²	62.7	4%	0.042	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	146.9	179.7	-60	-178.1	0	0	0	111.1	F360 V379 F390 L417 V492	F360-L377 WeakPolarHBondContact O-CA 3.41Å; L377-V379 PolarHBondContact O-N 3.39Å; L377-F390 HydrophobicContact CD1-CD2 3.59Å; L377-F390 HydrophobicContact CD1-CE2 3.57Å; L377-L417 HydrophobicContact CB-CB 4.24Å; L377-L417 WeakPolarHBondContact CB-O 3.44Å; L377-L417 HydrophobicContact CD1-CB 4.11Å; L377-L417 HydrophobicContact CG-CB 4.44Å; L377-L417 PolarHBondContact N-O 2.73Å; L377-V492 HydrophobicContact CD1-CG1 3.69Å; L377-V492 HydrophobicContact CD1-CG2 4.42Å; L377-V492 HydrophobicContact CD2-CG1 3.81Å; L377-V492 HydrophobicContact CG-CG1 4.35Å
378	K	81.5	Confident	86.9	Confident	117 Å²	117	60.9 Å²	60.9	51%	0.509	33%	0.33	S	S	.	.	S	Bend	trans	-80.2	42.2	178.5	-70.7	178.9	176.1	177.3	0	112.5	S357 G358 F360	S357-K378 WeakPolarHBondContact OG-CE 3.49Å; S357-K378 PolarHBondContact OG-NZ 2.83Å; G358-K378 WeakPolarHBondContact O-CE 3.31Å; G358-K378 PolarHBondContact O-NZ 3.32Å; F360-K378 PolarHBondContact O-N 2.93Å
379	V	78.5	Confident	86.1	Confident	45 Å²	45	58.9 Å²	58.9	27%	0.273	32%	0.323	S	S	.	.			trans	-123.3	110.5	178.3	-175	0	0	0	0	107.1	L377 P382	L377-V379 PolarHBondContact O-N 3.39Å; V379-P382 HydrophobicContact CG1-CB 3.74Å
380	V	76.4	Confident	85.6	Confident	133 Å²	133	50.5 Å²	50.5	81%	0.806	29%	0.285	S	S	*	.	S	Bend	trans	-79.4	-50.3	-179	-177.5	0	0	0	0	109.7
381	D	81.2	Confident	85	Confident	142 Å²	142	53.9 Å²	53.9	76%	0.759	28%	0.284	S	S	*	.	S	Bend	trans	-123.1	89.7	179.4	-62.5	-50.9	0	0	0	110.1
382	P	80.3	Confident	84.2	Confident	42 Å²	42	55.3 Å²	55.3	27%	0.273	29%	0.292	S	S	.	.			trans	-68.9	134.2	-178.4	28.5	-34.9	0	0	0	111.1	V379 Q386 L387 L417	V379-P382 HydrophobicContact CG1-CB 3.74Å; P382-Q386 HydrophobicContact CB-CB 4.18Å; P382-L387 HydrophobicContact CB-CB 4.49Å; P382-L417 HydrophobicContact CB-CD1 3.78Å; P382-L417 HydrophobicContact CG-CD1 3.8Å; P382-L417 HydrophobicContact CG-CG 4.24Å
383	T	83	Confident	83.4	Confident	48 Å²	48	55.7 Å²	55.7	29%	0.294	29%	0.294	S	S	.	.			trans	-63.7	157.3	168.5	80.9	0	0	0	0	110.3	E385 Q386 L387	T383-E385 WeakPolarHBondContact CB-OE2 3.36Å; T383-E385 PolarHBondContact O-N 3.04Å; T383-E385 VanDerWaalsContact O-N 3.12Å; T383-E385 PolarHBondContact OG1-N 3.18Å; T383-E385 PolarHBondContact OG1-OE2 3.17Å; T383-Q386 WeakPolarHBondContact O-CB 3.33Å; T383-Q386 PolarHBondContact O-N 2.8Å; T383-Q386 PolarHBondContact OG1-N 3.47Å; T383-L387 PolarHBondContact O-N 2.89Å
384	P	85	Confident	82.9	Confident	98 Å²	98	55.2 Å²	55.2	64%	0.636	29%	0.289	S	S	*	.	H	α-helix	trans	-52.7	-34.7	175.3	-27.3	36	0	0	0	113	Q388	P384-Q388 VanDerWaalsContact O-CB 3.28Å; P384-Q388 WeakPolarHBondContact O-CB 3.49Å; P384-Q388 PolarHBondContact O-N 3.4Å
385	E	81.8	Confident	82.4	Confident	85 Å²	85	57.2 Å²	57.2	40%	0.397	31%	0.306	S	S	.	.	H	α-helix	trans	-69.6	-42.4	176.7	-55.8	71.6	-154.5	0	0	111.8	T383 Q388 A389 W496	T383-E385 WeakPolarHBondContact CB-OE2 3.36Å; T383-E385 PolarHBondContact O-N 3.04Å; T383-E385 VanDerWaalsContact O-N 3.12Å; T383-E385 PolarHBondContact OG1-N 3.18Å; T383-E385 PolarHBondContact OG1-OE2 3.17Å; E385-Q388 PolarHBondContact O-N 3.31Å; E385-A389 VanDerWaalsContact O-CB 3.28Å; E385-A389 WeakPolarHBondContact O-CB 3.5Å; E385-A389 PolarHBondContact O-N 3.28Å; E385-W496 HydrophobicContact CB-CE3 4.43Å; E385-W496 HydrophobicContact CB-CH2 4.23Å; E385-W496 HydrophobicContact CB-CZ3 3.65Å
386	Q	78	Confident	82	Confident	40 Å²	40	58.5 Å²	58.5	19%	0.187	32%	0.316	C	S	.	.	H	α-helix	trans	-64.7	-41.6	175	-71.6	176.4	-30.3	0	0	111.7	P382 T383 A389 F390 W496	P382-Q386 HydrophobicContact CB-CB 4.18Å; T383-Q386 WeakPolarHBondContact O-CB 3.33Å; T383-Q386 PolarHBondContact O-N 2.8Å; T383-Q386 PolarHBondContact OG1-N 3.47Å; Q386-A389 PolarHBondContact O-N 2.88Å; Q386-F390 WeakPolarHBondContact O-CB 3.43Å; Q386-F390 PolarHBondContact O-N 3.48Å; Q386-W496 HydrophobicContact CG-CD2 3.61Å; Q386-W496 HydrophobicContact CG-CE3 4.03Å; Q386-W496 HydrophobicContact CG-CG 3.85Å; Q386-W496 HydrophobicContact CG-CZ2 4.27Å
387	L	82.8	Confident	81.7	Confident	41 Å²	41	58 Å²	58	22%	0.215	31%	0.313	C	S	.	.	H	α-helix	trans	-65.9	-40.4	176.1	-175	63.9	0	0	0	111.2	P382 T383 F390 R391 L417	P382-L387 HydrophobicContact CB-CB 4.49Å; T383-L387 PolarHBondContact O-N 2.89Å; L387-F390 HydrophobicContact CD1-CD1 4.48Å; L387-F390 PolarHBondContact O-N 3.48Å; L387-R391 WeakPolarHBondContact O-CG 3.33Å; L387-R391 PolarHBondContact O-N 3.4Å; L387-L417 HydrophobicContact CD1-CD2 3.91Å
388	Q	82.5	Confident	81.7	Confident	90 Å²	90	60 Å²	60	42%	0.421	32%	0.32	S	S	.	.	H	α-helix	trans	-65.8	-40.4	175	-173.4	58	44.8	0	0	111.7	P384 E385 R391 N392	P384-Q388 VanDerWaalsContact O-CB 3.28Å; P384-Q388 WeakPolarHBondContact O-CB 3.49Å; P384-Q388 PolarHBondContact O-N 3.4Å; E385-Q388 PolarHBondContact O-N 3.31Å; Q388-R391 PolarHBondContact O-N 3.37Å; Q388-N392 PolarHBondContact NE2-OD1 2.99Å; Q388-N392 PolarHBondContact O-N 3.02Å; Q388-N392 PolarHBondContact O-ND2 2.79Å; Q388-N392 PolarHBondContact O-OD1 2.9Å
389	A	77.4	Confident	81.8	Confident	8 Å²	8	61.4 Å²	61.4	7%	0.066	33%	0.326	C	S	.	.	H	α-helix	trans	-62.5	-45.8	174.9	0	0	0	0	0	111.5	E385 Q386 R391 N392 E393 W496	E385-A389 VanDerWaalsContact O-CB 3.28Å; E385-A389 WeakPolarHBondContact O-CB 3.5Å; E385-A389 PolarHBondContact O-N 3.28Å; Q386-A389 PolarHBondContact O-N 2.88Å; A389-R391 PolarHBondContact O-N 3Å; A389-N392 WeakPolarHBondContact O-CB 3.35Å; A389-N392 PolarHBondContact O-N 3.28Å; A389-N392 VanDerWaalsContact O-N 3.15Å; A389-E393 WeakPolarHBondContact O-CG 3.31Å; A389-E393 PolarHBondContact O-N 2.9Å; A389-W496 HydrophobicContact CB-CH2 3.7Å; A389-W496 HydrophobicContact CB-CZ2 3.51Å
390	F	82.9	Confident	82.3	Confident	1 Å²	1	59.6 Å²	59.6	0%	0.004	32%	0.315	C	S	.	.	H	α-helix	trans	-56.8	-46.2	172.5	176.6	-105.2	0	0	0	112.3	L377 Q386 L387 N392 E393 V394 Y411 L417 I419 V492	L377-F390 HydrophobicContact CD1-CD2 3.59Å; L377-F390 HydrophobicContact CD1-CE2 3.57Å; Q386-F390 WeakPolarHBondContact O-CB 3.43Å; Q386-F390 PolarHBondContact O-N 3.48Å; L387-F390 HydrophobicContact CD1-CD1 4.48Å; L387-F390 PolarHBondContact O-N 3.48Å; F390-N392 VanDerWaalsContact C-N 3.34Å; F390-N392 PolarHBondContact O-N 2.92Å; F390-E393 PolarHBondContact O-N 3.17Å; F390-V394 HydrophobicContact CD1-CG2 4.41Å; F390-V394 HydrophobicContact CE1-CG2 4.04Å; F390-V394 HydrophobicContact CE2-CG2 4.23Å; F390-V394 HydrophobicContact CZ-CG2 3.95Å; F390-V394 WeakPolarHBondContact O-CG2 3.4Å; F390-V394 PolarHBondContact O-N 3.3Å; F390-Y411 AromaticContact CE1-CD2 3.74Å; F390-Y411 HydrophobicContact CE1-CD2 3.74Å; F390-Y411 HydrophobicContact CE1-CG 4.35Å; F390-Y411 HydrophobicContact CZ-CD2 4.28Å; F390-L417 HydrophobicContact CD1-CD2 4.39Å; F390-L417 HydrophobicContact CE1-CD2 4.31Å; F390-I419 HydrophobicContact CE2-CD1 3.96Å; F390-I419 HydrophobicContact CE2-CG1 3.69Å; F390-I419 HydrophobicContact CZ-CG1 4.11Å; F390-V492 HydrophobicContact CB-CG2 4.36Å; F390-V492 HydrophobicContact CD2-CG2 4.15Å
391	R	83.2	Confident	83.1	Confident	113 Å²	113	63.3 Å²	63.3	43%	0.426	32%	0.315	S	S	.	.	H	α-helix	trans	-61.1	-40.2	175.3	-75.8	176.2	176.8	161.9	0.1	112.5	L387 Q388 A389 E393 V394 A395	L387-R391 WeakPolarHBondContact O-CG 3.33Å; L387-R391 PolarHBondContact O-N 3.4Å; Q388-R391 PolarHBondContact O-N 3.37Å; A389-R391 PolarHBondContact O-N 3Å; R391-E393 VanDerWaalsContact C-N 3.34Å; R391-V394 PolarHBondContact O-N 3.14Å; R391-A395 WeakPolarHBondContact O-CB 3.47Å; R391-A395 PolarHBondContact O-N 3.05Å
392	N	79.4	Confident	83.7	Confident	90 Å²	90	59.3 Å²	59.3	48%	0.481	29%	0.291	S	S	.	.	H	α-helix	trans	-62.7	-41.5	176.1	-67.8	-15.1	0	0	0	111.2	Q388 A389 F390 A395 V396	Q388-N392 PolarHBondContact NE2-OD1 2.99Å; Q388-N392 PolarHBondContact O-N 3.02Å; Q388-N392 PolarHBondContact O-ND2 2.79Å; Q388-N392 PolarHBondContact O-OD1 2.9Å; A389-N392 WeakPolarHBondContact O-CB 3.35Å; A389-N392 PolarHBondContact O-N 3.28Å; A389-N392 VanDerWaalsContact O-N 3.15Å; F390-N392 VanDerWaalsContact C-N 3.34Å; F390-N392 PolarHBondContact O-N 2.92Å; N392-A395 WeakPolarHBondContact O-CB 3.24Å; N392-A395 PolarHBondContact O-N 3.22Å; N392-V396 WeakPolarHBondContact O-CG2 3.5Å; N392-V396 PolarHBondContact O-N 2.8Å
393	E	78.3	Confident	84.5	Confident	8 Å²	8	60.2 Å²	60.2	4%	0.037	30%	0.296	C	S	.	.	H	α-helix	trans	-66.5	-45.6	176.5	-68.2	-173.3	172	0	0	112.3	A389 F390 R391 A395 V396 L397 G488 L489 A490 T491 V492	A389-E393 WeakPolarHBondContact O-CG 3.31Å; A389-E393 PolarHBondContact O-N 2.9Å; F390-E393 PolarHBondContact O-N 3.17Å; R391-E393 VanDerWaalsContact C-N 3.34Å; E393-A395 PolarHBondContact O-N 3.38Å; E393-V396 WeakPolarHBondContact O-CA 3.35Å; E393-V396 WeakPolarHBondContact O-CB 3.37Å; E393-V396 PolarHBondContact O-N 3.46Å; E393-L397 WeakPolarHBondContact O-CG 3.09Å; E393-L397 PolarHBondContact O-N 3.31Å; E393-G488 VanDerWaalsContact CD-O 3.23Å; E393-G488 VanDerWaalsContact CG-O 3.27Å; E393-G488 WeakPolarHBondContact CG-O 3.48Å; E393-L489 VanDerWaalsContact CD-CA 3.44Å; E393-L489 WeakPolarHBondContact OE1-CA 3.13Å; E393-L489 VanDerWaalsContact OE2-CA 3.28Å; E393-L489 WeakPolarHBondContact OE2-CA 3.49Å; E393-L489 VanDerWaalsContact OE2-CD2 3.26Å; E393-L489 WeakPolarHBondContact OE2-CD2 3.41Å; E393-A490 PolarHBondContact OE1-N 2.9Å; E393-A490 VanDerWaalsContact OE1-N 3.17Å; E393-T491 WeakPolarHBondContact CG-OG1 3.28Å; E393-T491 VanDerWaalsContact OE1-CA 3.3Å; E393-T491 WeakPolarHBondContact OE1-CA 3.28Å; E393-T491 WeakPolarHBondContact OE1-CB 3.37Å; E393-T491 PolarHBondContact OE1-N 3.05Å; E393-T491 PolarHBondContact OE1-OG1 2.93Å; E393-V492 PolarHBondContact OE1-N 3.45Å; E393-V492 WeakPolarHBondContact OE2-CB 3.41Å; E393-V492 WeakPolarHBondContact OE2-CG2 3.36Å
394	V	85.4	Confident	85.1	Confident	4 Å²	4	58 Å²	58	2%	0.024	28%	0.282	C	S	.	.	H	α-helix	trans	-56.3	-41.6	173.4	165.2	0	0	0	0	110.7	F390 R391 V396 L397 R398 F408 Y411	F390-V394 HydrophobicContact CD1-CG2 4.41Å; F390-V394 HydrophobicContact CE1-CG2 4.04Å; F390-V394 HydrophobicContact CE2-CG2 4.23Å; F390-V394 HydrophobicContact CZ-CG2 3.95Å; F390-V394 WeakPolarHBondContact O-CG2 3.4Å; F390-V394 PolarHBondContact O-N 3.3Å; R391-V394 PolarHBondContact O-N 3.14Å; V394-V396 PolarHBondContact O-N 3.33Å; V394-L397 PolarHBondContact O-N 3.04Å; V394-R398 HydrophobicContact CG1-CG 4.23Å; V394-R398 WeakPolarHBondContact O-CB 3.41Å; V394-R398 WeakPolarHBondContact O-CD 3.4Å; V394-R398 WeakPolarHBondContact O-CG 3.39Å; V394-R398 PolarHBondContact O-N 2.79Å; V394-F408 HydrophobicContact CG1-CE1 4.48Å; V394-F408 HydrophobicContact CG1-CZ 3.88Å; V394-Y411 HydrophobicContact CB-CD1 4.46Å; V394-Y411 HydrophobicContact CG1-CD1 3.42Å; V394-Y411 VanDerWaalsContact CG1-CD1 3.42Å; V394-Y411 HydrophobicContact CG1-CE1 3.6Å; V394-Y411 HydrophobicContact CG1-CG 4.02Å; V394-Y411 HydrophobicContact CG2-CD1 4.24Å; V394-Y411 HydrophobicContact CG2-CD2 4.48Å; V394-Y411 HydrophobicContact CG2-CG 3.98Å
395	A	83.3	Confident	85.6	Confident	42 Å²	42	53.5 Å²	53.5	35%	0.347	25%	0.253	S	S	.	.	H	α-helix	trans	-62.9	-28.2	176.6	0	0	0	0	0	113.1	R391 N392 E393 K399	R391-A395 WeakPolarHBondContact O-CB 3.47Å; R391-A395 PolarHBondContact O-N 3.05Å; N392-A395 WeakPolarHBondContact O-CB 3.24Å; N392-A395 PolarHBondContact O-N 3.22Å; E393-A395 PolarHBondContact O-N 3.38Å; A395-K399 WeakPolarHBondContact O-CE 3.07Å; A395-K399 WeakPolarHBondContact O-CG 3.43Å
396	V	82.6	Confident	86.2	Confident	51 Å²	51	50.4 Å²	50.4	31%	0.309	24%	0.239	S	C	.	.	H	α-helix	trans	-75.7	-49.9	171.9	174.9	0	0	0	0	110.6	N392 E393 V394 R398 K399 I464	N392-V396 WeakPolarHBondContact O-CG2 3.5Å; N392-V396 PolarHBondContact O-N 2.8Å; E393-V396 WeakPolarHBondContact O-CA 3.35Å; E393-V396 WeakPolarHBondContact O-CB 3.37Å; E393-V396 PolarHBondContact O-N 3.46Å; V394-V396 PolarHBondContact O-N 3.33Å; V396-R398 VanDerWaalsContact C-N 3.29Å; V396-R398 PolarHBondContact O-N 3.02Å; V396-K399 PolarHBondContact O-N 2.67Å; V396-I464 HydrophobicContact CG1-CD1 3.52Å; V396-I464 HydrophobicContact CG1-CG1 3.67Å; V396-I464 HydrophobicContact CG1-CG2 4.07Å
397	L	86	Confident	86.9	Confident	11 Å²	11	51.6 Å²	51.6	6%	0.058	25%	0.246	C	C	.	.	H	α-helix	trans	-57.8	-40.8	-179.2	-66.4	178.1	0	0	0	112.1	E393 V394 K399 T400 F408 I419 F487 L489	E393-L397 WeakPolarHBondContact O-CG 3.09Å; E393-L397 PolarHBondContact O-N 3.31Å; V394-L397 PolarHBondContact O-N 3.04Å; L397-K399 PolarHBondContact O-N 3.17Å; L397-K399 VanDerWaalsContact O-N 3.12Å; L397-T400 WeakPolarHBondContact O-CB 3.37Å; L397-T400 PolarHBondContact O-N 3.1Å; L397-T400 PolarHBondContact O-OG1 3.3Å; L397-F408 HydrophobicContact CB-CB 4.17Å; L397-F408 HydrophobicContact CB-CD1 4.43Å; L397-F408 HydrophobicContact CB-CD2 3.73Å; L397-F408 HydrophobicContact CB-CE2 4.21Å; L397-F408 HydrophobicContact CB-CG 3.84Å; L397-F408 HydrophobicContact CD1-CD2 3.83Å; L397-F408 HydrophobicContact CD1-CE2 4.06Å; L397-F408 HydrophobicContact CG-CD2 4.41Å; L397-I419 HydrophobicContact CD1-CD1 4.21Å; L397-I419 HydrophobicContact CD1-CG2 4.46Å; L397-F487 HydrophobicContact CD2-CD2 3.88Å; L397-F487 HydrophobicContact CD2-CE2 3.36Å; L397-F487 HydrophobicContact CD2-CZ 3.74Å; L397-L489 HydrophobicContact CD1-CD2 4.32Å
398	R	86.6	Confident	87.3	Confident	51 Å²	51	50 Å²	50	19%	0.192	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-24.9	176.9	-76.5	168.9	56.8	140.6	0.1	114.7	S338 S339 W342 V394 V396 T400 F408	S338-R398 VanDerWaalsContact C-NH2 3.29Å; S338-R398 VanDerWaalsContact O-CZ 3.31Å; S338-R398 PolarHBondContact O-NH1 3.22Å; S338-R398 PolarHBondContact O-NH2 3.16Å; S338-R398 PolarHBondContact OG-NH2 3.43Å; S339-R398 PolarHBondContact O-NH1 2.92Å; W342-R398 HydrophobicContact CD2-CG 4.1Å; W342-R398 HydrophobicContact CE3-CG 4.47Å; W342-R398 HydrophobicContact CG-CG 4.2Å; V394-R398 HydrophobicContact CG1-CG 4.23Å; V394-R398 WeakPolarHBondContact O-CB 3.41Å; V394-R398 WeakPolarHBondContact O-CD 3.4Å; V394-R398 WeakPolarHBondContact O-CG 3.39Å; V394-R398 PolarHBondContact O-N 2.79Å; V396-R398 VanDerWaalsContact C-N 3.29Å; V396-R398 PolarHBondContact O-N 3.02Å; R398-T400 VanDerWaalsContact C-N 3.26Å; R398-F408 HydrophobicContact CG-CD1 3.9Å; R398-F408 HydrophobicContact CG-CE1 3.44Å; R398-F408 VanDerWaalsContact CG-CE1 3.44Å; R398-F408 HydrophobicContact CG-CZ 4.28Å
399	K	82.4	Confident	87.8	Confident	146 Å²	146	48 Å²	48	64%	0.635	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-0.4	179.8	-64.5	173.7	-174.5	175.3	0	112.4	A395 V396 L397 Y458	A395-K399 WeakPolarHBondContact O-CE 3.07Å; A395-K399 WeakPolarHBondContact O-CG 3.43Å; V396-K399 PolarHBondContact O-N 2.67Å; L397-K399 PolarHBondContact O-N 3.17Å; L397-K399 VanDerWaalsContact O-N 3.12Å; K399-Y458 PolarHBondContact O-OH 3.17Å
400	T	90	Very high	88.5	Confident	8 Å²	8	47.6 Å²	47.6	5%	0.049	23%	0.226	C	C	.	.			trans	-99.6	125.3	-177.6	69.2	0	0	0	0	111.8	L397 R398 Y458 L459 I464 F487	L397-T400 WeakPolarHBondContact O-CB 3.37Å; L397-T400 PolarHBondContact O-N 3.1Å; L397-T400 PolarHBondContact O-OG1 3.3Å; R398-T400 VanDerWaalsContact C-N 3.26Å; T400-Y458 WeakPolarHBondContact CA-OH 3.44Å; T400-Y458 HydrophobicContact CG2-CE1 4.31Å; T400-L459 HydrophobicContact CG2-CD2 4.06Å; T400-I464 HydrophobicContact CG2-CD1 3.64Å; T400-F487 HydrophobicContact CG2-CE2 3.81Å; T400-F487 HydrophobicContact CG2-CZ 4.21Å
401	R	92.5	Very high	89	Confident	211 Å²	211	47.8 Å²	47.8	80%	0.796	23%	0.226	S	C	*	.			trans	-153.4	101.1	174.6	-171.9	176.2	-178.8	123.9	-1.4	108.1	Y458	R401-Y458 PolarHBondContact N-OH 2.92Å; R401-Y458 PolarHBondContact O-OH 3.05Å
402	H	95.3	Very high	89.3	Confident	57 Å²	57	42.9 Å²	42.9	26%	0.264	21%	0.208	S	C	.	.			trans	-154.2	147.2	-178.9	-176.3	-97.2	0	0	0	109.2	N404 I405 Y458	H402-N404 PolarHBondContact CE1-OD1 3.04Å; H402-N404 PolarHBondContact ND1-N 3.3Å; H402-N404 PolarHBondContact O-N 2.97Å; H402-I405 HydrophobicContact CB-CB 4.11Å; H402-I405 HydrophobicContact CB-CG1 3.81Å; H402-I405 PolarHBondContact O-N 2.9Å; H402-I405 VanDerWaalsContact O-N 3.08Å; H402-Y458 HydrophobicContact CB-CD1 3.73Å; H402-Y458 HydrophobicContact CB-CD2 3.92Å; H402-Y458 HydrophobicContact CB-CE1 3.89Å; H402-Y458 HydrophobicContact CB-CE2 4.06Å; H402-Y458 HydrophobicContact CB-CG 3.74Å; H402-Y458 AromaticContact CD2-CD2 3.78Å; H402-Y458 AromaticContact CD2-CG 3.92Å; H402-Y458 AromaticContact CG-CG 3.8Å
403	V	95.6	Very high	89.7	Confident	61 Å²	61	40.5 Å²	40.5	37%	0.37	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-36.3	-176.6	63.5	0	0	0	0	112	T481 K483	V403-T481 HydrophobicContact CG2-CG2 4.26Å; V403-K483 WeakPolarHBondContact O-CD 3.3Å; V403-K483 WeakPolarHBondContact O-CE 3.34Å; V403-K483 PolarHBondContact O-NZ 3.18Å
404	N	97.2	Very high	89.9	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.011	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	10.5	179.8	-54.5	118.8	0	0	0	116	H402 Q451 V482 I484	H402-N404 PolarHBondContact CE1-OD1 3.04Å; H402-N404 PolarHBondContact ND1-N 3.3Å; H402-N404 PolarHBondContact O-N 2.97Å; N404-Q451 WeakPolarHBondContact CB-O 3.33Å; N404-Q451 PolarHBondContact ND2-OE1 2.72Å; N404-Q451 PolarHBondContact OD1-O 3.36Å; N404-V482 WeakPolarHBondContact CA-O 3.38Å; N404-V482 PolarHBondContact ND2-O 3.24Å; N404-I484 WeakPolarHBondContact O-CG1 3.34Å; N404-I484 PolarHBondContact O-N 3.35Å
405	I	94.9	Very high	89.6	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.015	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-112.7	137	174.7	-62.3	-57	0	0	0	108.5	H402 L407 Y458 L459 I484 F487	H402-I405 HydrophobicContact CB-CB 4.11Å; H402-I405 HydrophobicContact CB-CG1 3.81Å; H402-I405 PolarHBondContact O-N 2.9Å; H402-I405 VanDerWaalsContact O-N 3.08Å; I405-L407 PolarHBondContact O-N 3.1Å; I405-Y458 HydrophobicContact CG1-CD1 3.9Å; I405-Y458 HydrophobicContact CG1-CE1 4.39Å; I405-L459 HydrophobicContact CD1-CD1 3.84Å; I405-L459 HydrophobicContact CD1-CD2 4Å; I405-L459 HydrophobicContact CD1-CG 3.74Å; I405-L459 HydrophobicContact CG1-CD2 4.39Å; I405-I484 HydrophobicContact CD1-CB 3.99Å; I405-I484 HydrophobicContact CD1-CD1 4.29Å; I405-F487 HydrophobicContact CG2-CD1 4.5Å; I405-F487 HydrophobicContact CG2-CE1 3.42Å; I405-F487 VanDerWaalsContact CG2-CE1 3.42Å; I405-F487 HydrophobicContact CG2-CE2 4.39Å; I405-F487 HydrophobicContact CG2-CZ 3.35Å
406	L	93.4	Very high	89.6	Confident	20 Å²	20	53.5 Å²	53.5	11%	0.105	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-62.5	121.4	175.7	-167	72.4	0	0	0	109.1	F408 T421 Q422 C424 K483 I484	L406-F408 PolarHBondContact O-N 3.24Å; L406-T421 HydrophobicContact CD2-CG2 4.23Å; L406-Q422 HydrophobicContact CD1-CG 3.51Å; L406-Q422 HydrophobicContact CG-CG 4Å; L406-C424 WeakPolarHBondContact CD1-SG 3.42Å; L406-K483 HydrophobicContact CD1-CB 4.13Å; L406-I484 WeakPolarHBondContact CB-O 3.28Å; L406-I484 PolarHBondContact N-O 3.42Å
407	L	93	Very high	89.9	Confident	66 Å²	66	51.7 Å²	51.7	35%	0.346	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-65.8	118.8	-175.7	-177.6	65.1	0	0	0	111	I405 T421 Q422	I405-L407 PolarHBondContact O-N 3.1Å; L407-T421 CarbonylContact O-C 3.59Å; L407-T421 VanDerWaalsContact O-CA 3.28Å; L407-T421 WeakPolarHBondContact O-CA 3.33Å; L407-T421 WeakPolarHBondContact O-CB 3.4Å; L407-Q422 HydrophobicContact CB-CB 4.13Å; L407-Q422 HydrophobicContact CB-CG 3.91Å; L407-Q422 PolarHBondContact O-N 2.87Å
408	F	92.5	Very high	90.1	Very high	8 Å²	8	51.1 Å²	51.1	4%	0.035	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	127.6	166.7	176.3	-95.2	0	0	0	109.8	W342 V394 L397 R398 L406 G410 Y411 I419	W342-F408 HydrophobicContact CD2-CE1 4.48Å; W342-F408 HydrophobicContact CE3-CD1 4.12Å; W342-F408 AromaticContact CE3-CE1 3.92Å; W342-F408 HydrophobicContact CE3-CE1 3.92Å; W342-F408 HydrophobicContact CZ3-CD1 4.39Å; V394-F408 HydrophobicContact CG1-CE1 4.48Å; V394-F408 HydrophobicContact CG1-CZ 3.88Å; L397-F408 HydrophobicContact CB-CB 4.17Å; L397-F408 HydrophobicContact CB-CD1 4.43Å; L397-F408 HydrophobicContact CB-CD2 3.73Å; L397-F408 HydrophobicContact CB-CE2 4.21Å; L397-F408 HydrophobicContact CB-CG 3.84Å; L397-F408 HydrophobicContact CD1-CD2 3.83Å; L397-F408 HydrophobicContact CD1-CE2 4.06Å; L397-F408 HydrophobicContact CG-CD2 4.41Å; R398-F408 HydrophobicContact CG-CD1 3.9Å; R398-F408 HydrophobicContact CG-CE1 3.44Å; R398-F408 VanDerWaalsContact CG-CE1 3.44Å; R398-F408 HydrophobicContact CG-CZ 4.28Å; L406-F408 PolarHBondContact O-N 3.24Å; F408-G410 WeakPolarHBondContact CE2-O 2.79Å; F408-G410 WeakPolarHBondContact CZ-O 3.45Å; F408-Y411 HydrophobicContact CZ-CD1 4.13Å; F408-I419 HydrophobicContact CD2-CG2 4.05Å; F408-I419 HydrophobicContact CE2-CG2 3.95Å
409	M	92.5	Very high	90.3	Very high	47 Å²	47	49.1 Å²	49.1	23%	0.232	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-37	-178.1	-71.2	176.2	163.9	0	0	112.1	W368 V372 V420 T421 Q422	W368-M409 HydrophobicContact CE3-CB 4.43Å; W368-M409 HydrophobicContact CZ3-CB 3.96Å; V372-M409 HydrophobicContact CB-SD 4.28Å; V372-M409 HydrophobicContact CG1-CE 4.29Å; V372-M409 HydrophobicContact CG1-SD 3.43Å; V372-M409 WeakPolarHBondContact CG1-SD 3.26Å; M409-V420 HydrophobicContact CB-CG1 4.23Å; M409-V420 WeakPolarHBondContact CB-O 3.47Å; M409-V420 PolarHBondContact N-O 3.06Å; M409-T421 VanDerWaalsContact SD-C 3.58Å; M409-Q422 HydrophobicContact CE-CB 3.73Å
410	G	92.2	Very high	90.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.3	-170.6	178.9	0	0	0	0	0	112	W342 F408 V420	W342-G410 CarbonylContact O-C 3.58Å; W342-G410 WeakPolarHBondContact O-CA 3.45Å; F408-G410 WeakPolarHBondContact CE2-O 2.79Å; F408-G410 WeakPolarHBondContact CZ-O 3.45Å; G410-V420 PolarHBondContact N-O 3.02Å; G410-V420 PolarHBondContact O-N 3.47Å
411	Y	92	Very high	91	Very high	4 Å²	4	43 Å²	43	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	158	179.4	66.9	-77.4	0	0	0	110.4	S339 W342 E343 I344 F390 V394 F408 T413 A418	S339-Y411 PolarHBondContact O-OH 3.36Å; W342-Y411 HydrophobicContact CB-CD1 4.19Å; W342-Y411 HydrophobicContact CB-CE1 3.92Å; W342-Y411 WeakPolarHBondContact O-CD1 3.31Å; W342-Y411 WeakPolarHBondContact O-CE1 3.05Å; W342-Y411 PolarHBondContact O-N 3.25Å; E343-Y411 CarbonylContact C-O 3.6Å; E343-Y411 WeakPolarHBondContact CA-O 3.46Å; E343-Y411 HydrophobicContact CB-CE1 4.15Å; E343-Y411 HydrophobicContact CB-CE2 4.08Å; E343-Y411 HydrophobicContact CG-CE2 4.08Å; I344-Y411 PolarHBondContact N-O 3.14Å; F390-Y411 AromaticContact CE1-CD2 3.74Å; F390-Y411 HydrophobicContact CE1-CD2 3.74Å; F390-Y411 HydrophobicContact CE1-CG 4.35Å; F390-Y411 HydrophobicContact CZ-CD2 4.28Å; V394-Y411 HydrophobicContact CB-CD1 4.46Å; V394-Y411 HydrophobicContact CG1-CD1 3.42Å; V394-Y411 VanDerWaalsContact CG1-CD1 3.42Å; V394-Y411 HydrophobicContact CG1-CE1 3.6Å; V394-Y411 HydrophobicContact CG1-CG 4.02Å; V394-Y411 HydrophobicContact CG2-CD1 4.24Å; V394-Y411 HydrophobicContact CG2-CD2 4.48Å; V394-Y411 HydrophobicContact CG2-CG 3.98Å; F408-Y411 HydrophobicContact CZ-CD1 4.13Å; Y411-T413 HydrophobicContact CD2-CG2 3.7Å; Y411-T413 HydrophobicContact CE2-CG2 3.56Å; Y411-A418 CarbonylContact C-O 3.55Å; Y411-A418 WeakPolarHBondContact CA-O 3.35Å; Y411-A418 WeakPolarHBondContact CB-O 3.43Å
412	M	91.3	Very high	91.1	Very high	11 Å²	11	34.2 Å²	34.2	5%	0.054	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.2	176	-58.7	164.5	53	0	0	108.6	I344 A346 V349 V374 N416 L417 A418 V420	I344-M412 HydrophobicContact CB-CG 4.23Å; A346-M412 HydrophobicContact CB-CE 3.52Å; V349-M412 HydrophobicContact CB-SD 4.34Å; V349-M412 HydrophobicContact CG2-SD 4.03Å; V374-M412 HydrophobicContact CG1-SD 4.28Å; M412-N416 CarbonylContact C-O 3.6Å; M412-L417 WeakPolarHBondContact O-CA 3.4Å; M412-A418 HydrophobicContact CB-CB 4.02Å; M412-A418 HydrophobicContact CG-CB 4.35Å; M412-A418 PolarHBondContact N-O 2.99Å; M412-A418 PolarHBondContact O-N 3.37Å; M412-A418 HydrophobicContact SD-CB 3.98Å; M412-V420 HydrophobicContact CG-CG2 4.38Å; M412-V420 HydrophobicContact SD-CG2 4.27Å
413	T	87.1	Confident	91	Very high	39 Å²	39	34 Å²	34	24%	0.239	17%	0.174	C	C	.	.			trans	-121.8	-28.6	173.8	74.3	0	0	0	0	113.7	E343 Y411 L417	E343-T413 WeakPolarHBondContact OE1-CB 3.48Å; E343-T413 VanDerWaalsContact OE1-CG2 3.28Å; E343-T413 WeakPolarHBondContact OE1-CG2 3.39Å; E343-T413 PolarHBondContact OE1-OG1 3.01Å; Y411-T413 HydrophobicContact CD2-CG2 3.7Å; Y411-T413 HydrophobicContact CE2-CG2 3.56Å; T413-L417 HydrophobicContact CG2-CD2 4.4Å
414	K	82.4	Confident	90.8	Very high	115 Å²	115	31.7 Å²	31.7	50%	0.5	16%	0.16	S	C	.	.	S	Bend	trans	-76	138.1	176.1	-61.6	-179.7	-174.8	170.8	0	109.6	E345 N416	E345-K414 IonicContact OE1-NZ 2.83Å; E345-K414 PolarHBondContact OE1-NZ 2.97Å; K414-N416 PolarHBondContact O-N 3.06Å
415	D	79.2	Confident	90.4	Very high	141 Å²	141	37 Å²	37	75%	0.754	19%	0.185	S	C	*	.	S	Bend	trans	63.2	-44.5	-175.6	-52.2	-37.2	0	0	0	115.8
416	N	83.5	Confident	89.9	Confident	72 Å²	72	38.7 Å²	38.7	39%	0.385	20%	0.203	S	C	.	.	S	Bend	trans	-147.2	133.9	179.4	-71.3	-78.8	0	0	0	110.3	I376 M412 K414 A418	I376-N416 HydrophobicContact CG2-CB 3.89Å; M412-N416 CarbonylContact C-O 3.6Å; K414-N416 PolarHBondContact O-N 3.06Å; N416-A418 PolarHBondContact O-N 3.43Å; N416-A418 VanDerWaalsContact O-N 3.16Å
417	L	88.7	Confident	89.8	Confident	12 Å²	12	38.5 Å²	38.5	6%	0.063	20%	0.204	C	C	.	.			trans	-67.8	112.5	164.8	-68.1	-170.1	0	0	0	108.9	L377 P382 L387 F390 M412 T413	L377-L417 HydrophobicContact CB-CB 4.24Å; L377-L417 WeakPolarHBondContact CB-O 3.44Å; L377-L417 HydrophobicContact CD1-CB 4.11Å; L377-L417 HydrophobicContact CG-CB 4.44Å; L377-L417 PolarHBondContact N-O 2.73Å; P382-L417 HydrophobicContact CB-CD1 3.78Å; P382-L417 HydrophobicContact CG-CD1 3.8Å; P382-L417 HydrophobicContact CG-CG 4.24Å; L387-L417 HydrophobicContact CD1-CD2 3.91Å; F390-L417 HydrophobicContact CD1-CD2 4.39Å; F390-L417 HydrophobicContact CE1-CD2 4.31Å; M412-L417 WeakPolarHBondContact O-CA 3.4Å; T413-L417 HydrophobicContact CG2-CD2 4.4Å
418	A	90.8	Very high	89.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	151.9	-179.8	0	0	0	0	0	112.9	V374 K375 I376 Y411 M412 N416	V374-A418 HydrophobicContact CG1-CB 3.98Å; K375-A418 CarbonylContact O-C 3.56Å; K375-A418 WeakPolarHBondContact O-CA 3.42Å; I376-A418 HydrophobicContact CG1-CB 4.08Å; Y411-A418 CarbonylContact C-O 3.55Å; Y411-A418 WeakPolarHBondContact CA-O 3.35Å; Y411-A418 WeakPolarHBondContact CB-O 3.43Å; M412-A418 HydrophobicContact CB-CB 4.02Å; M412-A418 HydrophobicContact CG-CB 4.35Å; M412-A418 PolarHBondContact N-O 2.99Å; M412-A418 PolarHBondContact O-N 3.37Å; M412-A418 HydrophobicContact SD-CB 3.98Å; N416-A418 PolarHBondContact O-N 3.43Å; N416-A418 VanDerWaalsContact O-N 3.16Å
419	I	90.8	Very high	90	Very high	9 Å²	9	36 Å²	36	5%	0.046	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.9	171.2	-63.5	177.2	0	0	0	108	K375 F390 L397 F408 T421 L489	K375-I419 PolarHBondContact N-O 2.83Å; K375-I419 PolarHBondContact O-N 2.81Å; F390-I419 HydrophobicContact CE2-CD1 3.96Å; F390-I419 HydrophobicContact CE2-CG1 3.69Å; F390-I419 HydrophobicContact CZ-CG1 4.11Å; L397-I419 HydrophobicContact CD1-CD1 4.21Å; L397-I419 HydrophobicContact CD1-CG2 4.46Å; F408-I419 HydrophobicContact CD2-CG2 4.05Å; F408-I419 HydrophobicContact CE2-CG2 3.95Å; I419-T421 HydrophobicContact CG2-CG2 3.99Å; I419-L489 HydrophobicContact CD1-CD2 3.46Å; I419-L489 VanDerWaalsContact CD1-CD2 3.46Å
420	V	93.1	Very high	90.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.7	178.2	-171.9	0	0	0	0	108.8	I344 V372 A373 V374 M409 G410 M412	I344-V420 HydrophobicContact CD1-CB 3.99Å; I344-V420 HydrophobicContact CD1-CG1 4.34Å; I344-V420 HydrophobicContact CD1-CG2 3.89Å; V372-V420 HydrophobicContact CB-CG1 3.81Å; V372-V420 HydrophobicContact CG1-CG1 4.15Å; V372-V420 HydrophobicContact CG2-CG1 3.92Å; A373-V420 WeakPolarHBondContact O-CA 3.16Å; V374-V420 HydrophobicContact CG1-CG2 4.41Å; V374-V420 HydrophobicContact CG2-CG2 4.47Å; M409-V420 HydrophobicContact CB-CG1 4.23Å; M409-V420 WeakPolarHBondContact CB-O 3.47Å; M409-V420 PolarHBondContact N-O 3.06Å; G410-V420 PolarHBondContact N-O 3.02Å; G410-V420 PolarHBondContact O-N 3.47Å; M412-V420 HydrophobicContact CG-CG2 4.38Å; M412-V420 HydrophobicContact SD-CG2 4.27Å
421	T	93.3	Very high	90.3	Very high	26 Å²	26	41.2 Å²	41.2	16%	0.16	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	166.9	176.8	62.7	0	0	0	0	110.9	V372 A373 L406 L407 M409 I419 W423	V372-T421 WeakPolarHBondContact CA-O 3.48Å; A373-T421 PolarHBondContact N-O 3.43Å; A373-T421 PolarHBondContact O-N 3.42Å; L406-T421 HydrophobicContact CD2-CG2 4.23Å; L407-T421 CarbonylContact O-C 3.59Å; L407-T421 VanDerWaalsContact O-CA 3.28Å; L407-T421 WeakPolarHBondContact O-CA 3.33Å; L407-T421 WeakPolarHBondContact O-CB 3.4Å; M409-T421 VanDerWaalsContact SD-C 3.58Å; I419-T421 HydrophobicContact CG2-CG2 3.99Å; T421-W423 PolarHBondContact O-N 3.09Å
422	Q	93.5	Very high	90.4	Very high	26 Å²	26	42.4 Å²	42.4	12%	0.121	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	142.9	170	64.9	168.4	88.4	0	0	111.3	L406 L407 M409	L406-Q422 HydrophobicContact CD1-CG 3.51Å; L406-Q422 HydrophobicContact CG-CG 4Å; L407-Q422 HydrophobicContact CB-CB 4.13Å; L407-Q422 HydrophobicContact CB-CG 3.91Å; L407-Q422 PolarHBondContact O-N 2.87Å; M409-Q422 HydrophobicContact CE-CB 3.73Å
423	W	93.9	Very high	90.6	Very high	51 Å²	51	42.5 Å²	42.5	19%	0.193	22%	0.219	C	C	.	.			trans	-71	149.3	163.8	-176.9	-109.3	0	0	0	110.1	I355 K365 D371 A373 T421 E425	I355-W423 HydrophobicContact CD1-CH2 3.7Å; I355-W423 HydrophobicContact CD1-CZ3 4.23Å; I355-W423 HydrophobicContact CG1-CH2 3.84Å; I355-W423 HydrophobicContact CG1-CZ3 3.91Å; K365-W423 HydrophobicContact CB-CE3 4.15Å; K365-W423 HydrophobicContact CB-CH2 4.05Å; K365-W423 HydrophobicContact CB-CZ3 3.75Å; K365-W423 HydrophobicContact CD-CD2 4.07Å; K365-W423 HydrophobicContact CD-CE3 4.27Å; K365-W423 HydrophobicContact CD-CH2 4.05Å; K365-W423 HydrophobicContact CD-CZ2 3.81Å; K365-W423 HydrophobicContact CD-CZ3 4.26Å; K365-W423 HydrophobicContact CG-CD2 4.13Å; K365-W423 HydrophobicContact CG-CE3 3.9Å; K365-W423 HydrophobicContact CG-CH2 4.24Å; K365-W423 HydrophobicContact CG-CZ2 4.42Å; K365-W423 HydrophobicContact CG-CZ3 3.97Å; D371-W423 HydrophobicContact CB-CB 3.9Å; D371-W423 HydrophobicContact CB-CG 4.14Å; D371-W423 VanDerWaalsContact O-CB 3.29Å; D371-W423 WeakPolarHBondContact O-CB 3.37Å; D371-W423 PolarHBondContact O-N 3.39Å; A373-W423 HydrophobicContact CB-CE3 4.08Å; T421-W423 PolarHBondContact O-N 3.09Å; W423-E425 VanDerWaalsContact CD1-CD 3.48Å; W423-E425 VanDerWaalsContact NE1-CD 3.27Å; W423-E425 PolarHBondContact NE1-OE1 2.7Å; W423-E425 PolarHBondContact NE1-OE2 3.48Å
424	C	91.8	Very high	90.9	Very high	14 Å²	14	42.6 Å²	42.6	10%	0.095	22%	0.217	C	C	.	.			trans	-124.6	115.5	172.5	-76	0	0	0	0	108.6	L406 G426 F475	L406-C424 WeakPolarHBondContact CD1-SG 3.42Å; C424-G426 VanDerWaalsContact C-N 3.26Å; C424-G426 PolarHBondContact O-N 2.85Å; C424-F475 HydrophobicContact CB-CB 4.43Å
425	E	87.7	Confident	91.4	Very high	112 Å²	112	41.8 Å²	41.8	52%	0.523	22%	0.221	S	C	.	.	S	Bend	trans	-66.9	-22.2	-177.2	-67	-60.6	165.1	0	0	115.1	K365 W423 H477	K365-E425 IonicContact NZ-OE1 3.97Å; W423-E425 VanDerWaalsContact CD1-CD 3.48Å; W423-E425 VanDerWaalsContact NE1-CD 3.27Å; W423-E425 PolarHBondContact NE1-OE1 2.7Å; W423-E425 PolarHBondContact NE1-OE2 3.48Å; E425-H477 PolarHBondContact N-ND1 2.87Å
426	G	84.6	Confident	92.1	Very high	39 Å²	39	39.5 Å²	39.5	40%	0.402	21%	0.206	S	C	.	.	S	Bend	trans	-83.3	-152.4	177.1	0	0	0	0	0	112.9	C424 L476	C424-G426 VanDerWaalsContact C-N 3.26Å; C424-G426 PolarHBondContact O-N 2.85Å; G426-L476 VanDerWaalsContact CA-O 3.26Å; G426-L476 WeakPolarHBondContact CA-O 3.45Å
427	S	91.4	Very high	92.5	Very high	16 Å²	16	43.3 Å²	43.3	11%	0.112	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	172.6	-178	81.8	0	0	0	0	112.5	H432 L476	S427-H432 PolarHBondContact OG-CD2 3.06Å; S427-H432 PolarHBondContact OG-NE2 3.31Å; S427-L476 PolarHBondContact O-N 3.47Å
428	S	94.1	Very high	92.7	Very high	21 Å²	21	45.1 Å²	45.1	15%	0.147	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	149.5	175.6	62.8	0	0	0	0	110.7	Y430 K431 H432 N472 I474	S428-Y430 PolarHBondContact O-N 2.75Å; S428-K431 WeakPolarHBondContact O-CB 3.44Å; S428-K431 PolarHBondContact O-N 2.81Å; S428-K431 PolarHBondContact OG-N 3.46Å; S428-H432 PolarHBondContact O-CD2 2.84Å; S428-H432 PolarHBondContact O-N 3.33Å; S428-H432 VanDerWaalsContact O-N 3.16Å; S428-N472 WeakPolarHBondContact CB-O 2.92Å; S428-I474 CarbonylContact C-O 3.51Å; S428-I474 VanDerWaalsContact CA-O 3.28Å; S428-I474 WeakPolarHBondContact CA-O 3.21Å
429	L	96.8	Very high	92.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-55.6	-36.6	174.3	179.2	62.6	0	0	0	110.6	K431 H432 L433 I448 S471 I474 L476 V537 L541	L429-K431 VanDerWaalsContact C-N 3.32Å; L429-K431 PolarHBondContact O-N 3.32Å; L429-H432 PolarHBondContact O-N 3.02Å; L429-L433 HydrophobicContact CD1-CD1 3.91Å; L429-L433 HydrophobicContact CD1-CD2 4.49Å; L429-L433 HydrophobicContact CD1-CG 3.96Å; L429-L433 HydrophobicContact CD2-CD1 4.39Å; L429-L433 HydrophobicContact CG-CD1 3.83Å; L429-L433 HydrophobicContact CG-CG 4.26Å; L429-L433 WeakPolarHBondContact O-CG 3.49Å; L429-L433 PolarHBondContact O-N 3.38Å; L429-I448 HydrophobicContact CD1-CG2 4.23Å; L429-I448 HydrophobicContact CD2-CG2 4.21Å; L429-S471 PolarHBondContact N-O 3.38Å; L429-I474 HydrophobicContact CB-CB 4.07Å; L429-I474 HydrophobicContact CB-CG2 4.11Å; L429-I474 HydrophobicContact CD2-CB 4.44Å; L429-I474 HydrophobicContact CD2-CD1 4.14Å; L429-I474 HydrophobicContact CD2-CG2 4.19Å; L429-I474 PolarHBondContact N-O 2.83Å; L429-L476 HydrophobicContact CD1-CD1 4.14Å; L429-V537 HydrophobicContact CD2-CG1 3.97Å; L429-L541 HydrophobicContact CD1-CD2 3.92Å; L429-L541 HydrophobicContact CD2-CD2 4.03Å; L429-L541 HydrophobicContact CD2-CG 4.36Å; L429-L541 HydrophobicContact CG-CD2 4.5Å
430	Y	95.4	Very high	92.9	Very high	65 Å²	65	55.9 Å²	55.9	26%	0.255	28%	0.28	S	S	.	.	H	α-helix	trans	-55.9	-45.5	173.2	-173.7	-80.6	0	0	0	112.2	S428 L433 H434 V435 S471 N472 W511 L546	S428-Y430 PolarHBondContact O-N 2.75Å; Y430-L433 PolarHBondContact O-N 3.28Å; Y430-H434 AromaticContact CD2-CD2 3.66Å; Y430-H434 HydrophobicContact CE1-CB 4.23Å; Y430-H434 AromaticContact CE2-CD2 3.78Å; Y430-H434 PolarHBondContact O-N 3.25Å; Y430-V435 HydrophobicContact CD1-CG2 4.34Å; Y430-V435 HydrophobicContact CE1-CG2 4.17Å; Y430-S471 WeakPolarHBondContact CB-OG 3.39Å; Y430-S471 WeakPolarHBondContact CD2-OG 3.21Å; Y430-S471 PolarHBondContact N-O 2.89Å; Y430-N472 WeakPolarHBondContact CD2-OD1 3.45Å; Y430-N472 VanDerWaalsContact CG-ND2 3.28Å; Y430-W511 HydrophobicContact CD2-CH2 4.26Å; Y430-W511 HydrophobicContact CD2-CZ2 4.48Å; Y430-W511 HydrophobicContact CE2-CH2 4.13Å; Y430-L546 HydrophobicContact CE2-CD1 4.19Å; Y430-L546 HydrophobicContact CE2-CD2 4.16Å
431	K	94.2	Very high	92.8	Very high	92 Å²	92	61.8 Å²	61.8	40%	0.4	31%	0.307	S	S	.	.	H	α-helix	trans	-65.3	-42.6	180	-169.6	-175.9	-175.9	-177	0	110.8	S428 L429 V435 Q436	S428-K431 WeakPolarHBondContact O-CB 3.44Å; S428-K431 PolarHBondContact O-N 2.81Å; S428-K431 PolarHBondContact OG-N 3.46Å; L429-K431 VanDerWaalsContact C-N 3.32Å; L429-K431 PolarHBondContact O-N 3.32Å; K431-V435 HydrophobicContact CG-CB 4.03Å; K431-V435 HydrophobicContact CG-CG1 4.38Å; K431-V435 HydrophobicContact CG-CG2 4.45Å; K431-V435 WeakPolarHBondContact O-CB 3.4Å; K431-V435 PolarHBondContact O-N 3.14Å; K431-V435 VanDerWaalsContact O-N 3.16Å; K431-Q436 HydrophobicContact CG-CG 4.21Å; K431-Q436 PolarHBondContact O-N 2.79Å
432	H	94.7	Very high	92.8	Very high	30 Å²	30	61.8 Å²	61.8	14%	0.139	31%	0.306	C	S	.	.	H	α-helix	trans	-62.3	-45.4	176.6	-78.8	-72.6	0	0	0	112.6	S427 S428 L429 Q436 E437 T438 F440	S427-H432 PolarHBondContact OG-CD2 3.06Å; S427-H432 PolarHBondContact OG-NE2 3.31Å; S428-H432 PolarHBondContact O-CD2 2.84Å; S428-H432 PolarHBondContact O-N 3.33Å; S428-H432 VanDerWaalsContact O-N 3.16Å; L429-H432 PolarHBondContact O-N 3.02Å; H432-Q436 PolarHBondContact CE1-OE1 3.27Å; H432-Q436 PolarHBondContact ND1-OE1 3.17Å; H432-E437 CarbonylContact O-C 3.55Å; H432-E437 WeakPolarHBondContact O-CA 3.49Å; H432-E437 PolarHBondContact O-N 3.05Å; H432-E437 VanDerWaalsContact O-N 3.11Å; H432-T438 PolarHBondContact ND1-OG1 2.85Å; H432-T438 PolarHBondContact O-N 3.24Å; H432-T438 PolarHBondContact O-OG1 2.96Å; H432-F440 HydrophobicContact CB-CE2 3.88Å; H432-F440 HydrophobicContact CB-CZ 3.99Å
433	L	94.9	Very high	92.6	Very high	13 Å²	13	66 Å²	66	7%	0.068	32%	0.324	C	S	.	.	H	α-helix	trans	-76.7	-46.2	-175.6	-64.9	177.1	0	0	0	113.1	L429 Y430 F440 E540 L541	L429-L433 HydrophobicContact CD1-CD1 3.91Å; L429-L433 HydrophobicContact CD1-CD2 4.49Å; L429-L433 HydrophobicContact CD1-CG 3.96Å; L429-L433 HydrophobicContact CD2-CD1 4.39Å; L429-L433 HydrophobicContact CG-CD1 3.83Å; L429-L433 HydrophobicContact CG-CG 4.26Å; L429-L433 WeakPolarHBondContact O-CG 3.49Å; L429-L433 PolarHBondContact O-N 3.38Å; Y430-L433 PolarHBondContact O-N 3.28Å; L433-F440 HydrophobicContact CD2-CD2 4.19Å; L433-F440 HydrophobicContact CD2-CE2 4.28Å; L433-E540 HydrophobicContact CD1-CB 3.95Å; L433-L541 HydrophobicContact CD1-CD2 4.21Å
434	H	94	Very high	92.6	Very high	41 Å²	41	65.2 Å²	65.2	19%	0.19	32%	0.322	C	S	.	.	H	α-helix	trans	-113.9	-3.5	-164.1	-50.9	-61.4	0	0	0	114.8	Y430 E540	Y430-H434 AromaticContact CD2-CD2 3.66Å; Y430-H434 HydrophobicContact CE1-CB 4.23Å; Y430-H434 AromaticContact CE2-CD2 3.78Å; Y430-H434 PolarHBondContact O-N 3.25Å; H434-E540 IonicContact CD2-OE1 2.84Å; H434-E540 IonicContact CE1-OE1 3.61Å; H434-E540 IonicContact NE2-OE1 2.9Å; H434-E540 PolarHBondContact NE2-OE1 3.2Å
435	V	93.8	Very high	92.8	Very high	98 Å²	98	64.9 Å²	64.9	59%	0.594	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	-48.3	179.1	-176.8	0	0	0	0	111.2	Y430 K431	Y430-V435 HydrophobicContact CD1-CG2 4.34Å; Y430-V435 HydrophobicContact CE1-CG2 4.17Å; K431-V435 HydrophobicContact CG-CB 4.03Å; K431-V435 HydrophobicContact CG-CG1 4.38Å; K431-V435 HydrophobicContact CG-CG2 4.45Å; K431-V435 WeakPolarHBondContact O-CB 3.4Å; K431-V435 PolarHBondContact O-N 3.14Å; K431-V435 VanDerWaalsContact O-N 3.16Å
436	Q	93	Very high	93.1	Very high	93 Å²	93	59.5 Å²	59.5	44%	0.435	29%	0.294	S	S	.	.	S	Bend	trans	-91.7	-15.7	178.2	-67.5	174.9	-19.5	0	0	112.7	K431 H432 T438	K431-Q436 HydrophobicContact CG-CG 4.21Å; K431-Q436 PolarHBondContact O-N 2.79Å; H432-Q436 PolarHBondContact CE1-OE1 3.27Å; H432-Q436 PolarHBondContact ND1-OE1 3.17Å; Q436-T438 PolarHBondContact O-N 2.88Å
437	E	92.7	Very high	93.6	Very high	151 Å²	151	59.3 Å²	59.3	71%	0.706	28%	0.284	S	S	*	.			trans	48.5	45.5	-176.1	-59.6	-177.3	178.1	0	0	112.4	H432 K439	H432-E437 CarbonylContact O-C 3.55Å; H432-E437 WeakPolarHBondContact O-CA 3.49Å; H432-E437 PolarHBondContact O-N 3.05Å; H432-E437 VanDerWaalsContact O-N 3.11Å; E437-K439 PolarHBondContact O-N 2.88Å
438	T	93	Very high	93.9	Very high	50 Å²	50	58.6 Å²	58.6	31%	0.307	28%	0.279	S	S	.	.			trans	-59.9	122.6	-178.1	-55.8	0	0	0	0	110.1	H432 Q436 F440	H432-T438 PolarHBondContact ND1-OG1 2.85Å; H432-T438 PolarHBondContact O-N 3.24Å; H432-T438 PolarHBondContact O-OG1 2.96Å; Q436-T438 PolarHBondContact O-N 2.88Å; T438-F440 HydrophobicContact CG2-CD1 4.3Å; T438-F440 HydrophobicContact CG2-CD2 4.37Å; T438-F440 HydrophobicContact CG2-CE1 3.8Å; T438-F440 HydrophobicContact CG2-CE2 3.9Å; T438-F440 HydrophobicContact CG2-CZ 3.58Å; T438-F440 WeakPolarHBondContact O-CD2 3.43Å; T438-F440 PolarHBondContact O-N 3.48Å
439	K	92.1	Very high	94.1	Very high	204 Å²	204	57.6 Å²	57.6	89%	0.887	27%	0.272	S	S	*	.			trans	-80	85.8	-177.9	-64.7	-177	-179.1	176.8	0	111.5	E437	E437-K439 PolarHBondContact O-N 2.88Å
440	F	92.8	Very high	94.1	Very high	32 Å²	32	59.3 Å²	59.3	14%	0.14	28%	0.279	C	S	.	.			trans	-78	141.2	172.3	-63.5	-67.1	0	0	0	112.1	H432 L433 T438 Q444 L445 I448 L476 L480	H432-F440 HydrophobicContact CB-CE2 3.88Å; H432-F440 HydrophobicContact CB-CZ 3.99Å; L433-F440 HydrophobicContact CD2-CD2 4.19Å; L433-F440 HydrophobicContact CD2-CE2 4.28Å; T438-F440 HydrophobicContact CG2-CD1 4.3Å; T438-F440 HydrophobicContact CG2-CD2 4.37Å; T438-F440 HydrophobicContact CG2-CE1 3.8Å; T438-F440 HydrophobicContact CG2-CE2 3.9Å; T438-F440 HydrophobicContact CG2-CZ 3.58Å; T438-F440 WeakPolarHBondContact O-CD2 3.43Å; T438-F440 PolarHBondContact O-N 3.48Å; F440-Q444 HydrophobicContact CB-CB 4.32Å; F440-Q444 HydrophobicContact CD1-CB 4.35Å; F440-L445 HydrophobicContact CB-CD1 4.5Å; F440-L445 HydrophobicContact CB-CD2 3.65Å; F440-L445 HydrophobicContact CB-CG 3.74Å; F440-L445 HydrophobicContact CD2-CD2 3.99Å; F440-L445 HydrophobicContact CG-CD2 4.14Å; F440-I448 HydrophobicContact CD1-CD1 4.44Å; F440-I448 HydrophobicContact CE1-CD1 4.35Å; F440-I448 HydrophobicContact CZ-CD1 4.44Å; F440-L476 HydrophobicContact CE1-CD1 4.35Å; F440-L476 HydrophobicContact CE2-CD1 4.46Å; F440-L476 HydrophobicContact CZ-CD1 3.72Å; F440-L480 HydrophobicContact CE1-CD1 4.4Å; F440-L480 HydrophobicContact CE1-CD2 3.75Å; F440-L480 HydrophobicContact CZ-CD2 4.45Å
441	Q	92.1	Very high	94.2	Very high	123 Å²	123	57 Å²	57	58%	0.575	27%	0.27	S	S	*	.			trans	-72.9	153.1	167	-60.4	-170.2	37.5	0	0	110.5	F443 Q444 L445	Q441-F443 HydrophobicContact CB-CD1 3.6Å; Q441-F443 HydrophobicContact CB-CE1 3.6Å; Q441-F443 HydrophobicContact CG-CE1 4.1Å; Q441-F443 PolarHBondContact O-N 3.48Å; Q441-F443 VanDerWaalsContact O-N 3.12Å; Q441-F443 VanDerWaalsContact OE1-CE1 3.27Å; Q441-Q444 HydrophobicContact CB-CG 4.44Å; Q441-Q444 WeakPolarHBondContact O-CA 3.47Å; Q441-Q444 WeakPolarHBondContact O-CB 3.37Å; Q441-Q444 PolarHBondContact O-N 3.39Å; Q441-L445 PolarHBondContact O-N 3.38Å
442	M	92	Very high	94.4	Very high	27 Å²	27	52.6 Å²	52.6	13%	0.133	25%	0.251	C	S	.	.	H	α-helix	trans	-55.3	-35.9	-177.5	-175.2	57.2	64.9	0	0	113	Q444 L445 I446 M542 Y574 N576 C577	M442-Q444 VanDerWaalsContact C-N 3.35Å; M442-Q444 PolarHBondContact O-N 3.21Å; M442-L445 PolarHBondContact O-N 3.11Å; M442-L445 HydrophobicContact SD-CD1 4.46Å; M442-I446 HydrophobicContact CG-CD1 3.9Å; M442-I446 WeakPolarHBondContact O-CB 3.41Å; M442-I446 VanDerWaalsContact O-CG1 3.28Å; M442-I446 WeakPolarHBondContact O-CG1 3.4Å; M442-I446 PolarHBondContact O-N 2.84Å; M442-I446 HydrophobicContact SD-CD1 4.11Å; M442-I446 HydrophobicContact SD-CG1 4.29Å; M442-M542 HydrophobicContact CE-SD 4.39Å; M442-M542 HydrophobicContact SD-CE 4.14Å; M442-M542 HydrophobicContact SD-SD 3.83Å; M442-Y574 HydrophobicContact CE-CD2 4.2Å; M442-N576 WeakPolarHBondContact CE-OD1 3.28Å; M442-C577 HydrophobicContact CE-CB 4.39Å
443	F	90.6	Very high	94.6	Very high	114 Å²	114	51.2 Å²	51.2	50%	0.5	24%	0.244	S	C	.	.	H	α-helix	trans	-66.9	-35.2	177	82.4	-94.4	0	0	0	112.5	Q441 D447	Q441-F443 HydrophobicContact CB-CD1 3.6Å; Q441-F443 HydrophobicContact CB-CE1 3.6Å; Q441-F443 HydrophobicContact CG-CE1 4.1Å; Q441-F443 PolarHBondContact O-N 3.48Å; Q441-F443 VanDerWaalsContact O-N 3.12Å; Q441-F443 VanDerWaalsContact OE1-CE1 3.27Å; F443-D447 WeakPolarHBondContact O-CB 3.4Å; F443-D447 PolarHBondContact O-N 3.07Å
444	Q	93.7	Very high	94.8	Very high	35 Å²	35	51.9 Å²	51.9	16%	0.164	25%	0.247	C	C	.	.	H	α-helix	trans	-69.4	-42.7	176	-63.2	173.7	-54.2	0	0	110.4	F440 Q441 M442 I446 D447 I448 L480	F440-Q444 HydrophobicContact CB-CB 4.32Å; F440-Q444 HydrophobicContact CD1-CB 4.35Å; Q441-Q444 HydrophobicContact CB-CG 4.44Å; Q441-Q444 WeakPolarHBondContact O-CA 3.47Å; Q441-Q444 WeakPolarHBondContact O-CB 3.37Å; Q441-Q444 PolarHBondContact O-N 3.39Å; M442-Q444 VanDerWaalsContact C-N 3.35Å; M442-Q444 PolarHBondContact O-N 3.21Å; Q444-I446 VanDerWaalsContact C-N 3.32Å; Q444-I446 PolarHBondContact O-N 3.05Å; Q444-D447 PolarHBondContact O-N 3.16Å; Q444-I448 WeakPolarHBondContact O-CG1 3.5Å; Q444-I448 PolarHBondContact O-N 2.72Å; Q444-L480 HydrophobicContact CB-CD1 4.39Å; Q444-L480 HydrophobicContact CG-CD1 4.24Å
445	L	95.4	Very high	94.9	Very high	6 Å²	6	50 Å²	50	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-59.5	-43.3	175.3	-66.4	170.7	0	0	0	111.8	F440 Q441 M442 I448 A449 L541 M542 Y574	F440-L445 HydrophobicContact CB-CD1 4.5Å; F440-L445 HydrophobicContact CB-CD2 3.65Å; F440-L445 HydrophobicContact CB-CG 3.74Å; F440-L445 HydrophobicContact CD2-CD2 3.99Å; F440-L445 HydrophobicContact CG-CD2 4.14Å; Q441-L445 PolarHBondContact O-N 3.38Å; M442-L445 PolarHBondContact O-N 3.11Å; M442-L445 HydrophobicContact SD-CD1 4.46Å; L445-I448 PolarHBondContact O-N 3.38Å; L445-A449 WeakPolarHBondContact O-CB 3.42Å; L445-A449 PolarHBondContact O-N 3.29Å; L445-L541 WeakPolarHBondContact CD1-O 3.43Å; L445-L541 HydrophobicContact CD2-CB 4.38Å; L445-L541 HydrophobicContact CD2-CD2 3.72Å; L445-M542 HydrophobicContact CB-CE 3.66Å; L445-M542 HydrophobicContact CD1-CE 4.44Å; L445-Y574 HydrophobicContact CD1-CE2 4.2Å
446	I	94.7	Very high	95.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67.2	-37.1	177.1	-69.4	169.6	0	0	0	111.1	M442 Q444 A449 R450 P578 M581 I606 L609 L613	M442-I446 HydrophobicContact CG-CD1 3.9Å; M442-I446 WeakPolarHBondContact O-CB 3.41Å; M442-I446 VanDerWaalsContact O-CG1 3.28Å; M442-I446 WeakPolarHBondContact O-CG1 3.4Å; M442-I446 PolarHBondContact O-N 2.84Å; M442-I446 HydrophobicContact SD-CD1 4.11Å; M442-I446 HydrophobicContact SD-CG1 4.29Å; Q444-I446 VanDerWaalsContact C-N 3.32Å; Q444-I446 PolarHBondContact O-N 3.05Å; I446-A449 WeakPolarHBondContact O-CB 3.26Å; I446-A449 PolarHBondContact O-N 2.86Å; I446-R450 WeakPolarHBondContact O-CB 3.4Å; I446-R450 PolarHBondContact O-N 2.96Å; I446-P578 HydrophobicContact CD1-CG 3.97Å; I446-M581 HydrophobicContact CG1-CE 4.05Å; I446-I606 HydrophobicContact CG2-CG2 4.12Å; I446-L609 HydrophobicContact CD1-CD2 4.01Å; I446-L609 HydrophobicContact CG1-CD2 4.5Å; I446-L613 HydrophobicContact CD1-CD1 3.54Å; I446-L613 HydrophobicContact CD1-CD2 4.07Å; I446-L613 HydrophobicContact CD1-CG 4.35Å; I446-L613 HydrophobicContact CG2-CD1 4.4Å
447	D	95.1	Very high	95.4	Very high	35 Å²	35	43 Å²	43	19%	0.187	20%	0.201	C	C	.	.	H	α-helix	trans	-70.1	-40.7	176.3	-169	62.2	0	0	0	112.6	F443 Q444 A449 R450 Q451	F443-D447 WeakPolarHBondContact O-CB 3.4Å; F443-D447 PolarHBondContact O-N 3.07Å; Q444-D447 PolarHBondContact O-N 3.16Å; D447-A449 VanDerWaalsContact C-N 3.32Å; D447-A449 PolarHBondContact O-N 2.81Å; D447-R450 WeakPolarHBondContact O-CB 3.22Å; D447-R450 PolarHBondContact O-N 3.38Å; D447-R450 IonicContact OD1-CZ 2.68Å; D447-R450 VanDerWaalsContact OD1-CZ 3.32Å; D447-R450 IonicContact OD1-NE 2.73Å; D447-R450 PolarHBondContact OD1-NE 2.97Å; D447-R450 IonicContact OD1-NH2 3.7Å; D447-R450 PolarHBondContact OD1-NH2 2.79Å; D447-Q451 WeakPolarHBondContact O-CB 3.29Å; D447-Q451 WeakPolarHBondContact O-CG 3.33Å; D447-Q451 PolarHBondContact O-N 2.76Å; D447-Q451 PolarHBondContact OD2-NE2 3.18Å
448	I	97	Very high	95.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-58.6	-45.8	171.4	-68.1	165.8	0	0	0	110.1	L429 F440 Q444 L445 R450 Q451 T452 L476 V482 L541	L429-I448 HydrophobicContact CD1-CG2 4.23Å; L429-I448 HydrophobicContact CD2-CG2 4.21Å; F440-I448 HydrophobicContact CD1-CD1 4.44Å; F440-I448 HydrophobicContact CE1-CD1 4.35Å; F440-I448 HydrophobicContact CZ-CD1 4.44Å; Q444-I448 WeakPolarHBondContact O-CG1 3.5Å; Q444-I448 PolarHBondContact O-N 2.72Å; L445-I448 PolarHBondContact O-N 3.38Å; I448-R450 VanDerWaalsContact C-N 3.33Å; I448-R450 PolarHBondContact O-N 3.42Å; I448-Q451 PolarHBondContact O-N 2.79Å; I448-T452 VanDerWaalsContact O-CB 3.3Å; I448-T452 WeakPolarHBondContact O-CB 3.39Å; I448-T452 PolarHBondContact O-N 2.6Å; I448-T452 PolarHBondContact O-OG1 2.78Å; I448-L476 HydrophobicContact CD1-CD1 4Å; I448-L476 HydrophobicContact CD1-CD2 4.15Å; I448-L476 HydrophobicContact CG1-CD2 4.08Å; I448-L476 HydrophobicContact CG2-CD2 4.19Å; I448-V482 HydrophobicContact CB-CG2 4.38Å; I448-V482 HydrophobicContact CG2-CG2 3.97Å; I448-L541 HydrophobicContact CB-CD2 4.47Å; I448-L541 HydrophobicContact CG2-CD1 4.27Å; I448-L541 HydrophobicContact CG2-CD2 4.02Å
449	A	97.9	Very high	95.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.1	-45.2	175.5	0	0	0	0	0	111.8	L445 I446 D447 T452 A453 Y534 L538 L541 M581 I606	L445-A449 WeakPolarHBondContact O-CB 3.42Å; L445-A449 PolarHBondContact O-N 3.29Å; I446-A449 WeakPolarHBondContact O-CB 3.26Å; I446-A449 PolarHBondContact O-N 2.86Å; D447-A449 VanDerWaalsContact C-N 3.32Å; D447-A449 PolarHBondContact O-N 2.81Å; A449-T452 PolarHBondContact O-N 3.43Å; A449-A453 PolarHBondContact O-N 3.15Å; A449-Y534 PolarHBondContact O-OH 2.69Å; A449-L538 HydrophobicContact CB-CD2 3.56Å; A449-L541 HydrophobicContact CB-CD1 3.94Å; A449-M581 HydrophobicContact CB-CE 4.38Å; A449-I606 HydrophobicContact CB-CD1 4.48Å
450	R	97.6	Very high	95.8	Very high	36 Å²	36	26.3 Å²	26.3	14%	0.136	12%	0.121	C	C	.	.	H	α-helix	trans	-62.8	-52.7	178.6	-171.8	-169	64	70.9	9.5	111.9	I446 D447 I448 T452 A453 Q454 L603 I606 E607	I446-R450 WeakPolarHBondContact O-CB 3.4Å; I446-R450 PolarHBondContact O-N 2.96Å; D447-R450 WeakPolarHBondContact O-CB 3.22Å; D447-R450 PolarHBondContact O-N 3.38Å; D447-R450 IonicContact OD1-CZ 2.68Å; D447-R450 VanDerWaalsContact OD1-CZ 3.32Å; D447-R450 IonicContact OD1-NE 2.73Å; D447-R450 PolarHBondContact OD1-NE 2.97Å; D447-R450 IonicContact OD1-NH2 3.7Å; D447-R450 PolarHBondContact OD1-NH2 2.79Å; I448-R450 VanDerWaalsContact C-N 3.33Å; I448-R450 PolarHBondContact O-N 3.42Å; R450-T452 VanDerWaalsContact C-N 3.27Å; R450-T452 PolarHBondContact O-N 3.11Å; R450-A453 WeakPolarHBondContact O-CB 3.49Å; R450-A453 PolarHBondContact O-N 3.25Å; R450-A453 VanDerWaalsContact O-N 3.11Å; R450-Q454 WeakPolarHBondContact O-CG 3.36Å; R450-Q454 PolarHBondContact O-N 2.75Å; R450-L603 HydrophobicContact CG-CD1 3.91Å; R450-I606 HydrophobicContact CB-CG2 3.68Å; R450-I606 HydrophobicContact CG-CG2 4.09Å; R450-E607 HydrophobicContact CG-CG 4.46Å
451	Q	97.9	Very high	95.9	Very high	16 Å²	16	28.6 Å²	28.6	8%	0.075	15%	0.145	C	C	.	.	H	α-helix	trans	-60.3	-38.1	179.2	-71.3	-171.6	57.4	0	0	111.8	N404 D447 I448 Q454 G455 L480 V482	N404-Q451 WeakPolarHBondContact CB-O 3.33Å; N404-Q451 PolarHBondContact ND2-OE1 2.72Å; N404-Q451 PolarHBondContact OD1-O 3.36Å; D447-Q451 WeakPolarHBondContact O-CB 3.29Å; D447-Q451 WeakPolarHBondContact O-CG 3.33Å; D447-Q451 PolarHBondContact O-N 2.76Å; D447-Q451 PolarHBondContact OD2-NE2 3.18Å; I448-Q451 PolarHBondContact O-N 2.79Å; Q451-Q454 WeakPolarHBondContact O-CB 3.2Å; Q451-Q454 PolarHBondContact O-N 3.44Å; Q451-G455 PolarHBondContact O-N 3.06Å; Q451-L480 PolarHBondContact NE2-O 2.9Å; Q451-L480 VanDerWaalsContact NE2-O 3.09Å; Q451-V482 HydrophobicContact CB-CB 3.76Å; Q451-V482 HydrophobicContact CB-CG2 3.71Å
452	T	98.4	Very high	95.9	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.3	-45	173.8	-56	0	0	0	0	111.2	I448 A449 R450 Q454 G455 M456 M469 I474 I484 Y534	I448-T452 VanDerWaalsContact O-CB 3.3Å; I448-T452 WeakPolarHBondContact O-CB 3.39Å; I448-T452 PolarHBondContact O-N 2.6Å; I448-T452 PolarHBondContact O-OG1 2.78Å; A449-T452 PolarHBondContact O-N 3.43Å; R450-T452 VanDerWaalsContact C-N 3.27Å; R450-T452 PolarHBondContact O-N 3.11Å; T452-Q454 VanDerWaalsContact C-N 3.32Å; T452-Q454 PolarHBondContact O-N 3.22Å; T452-G455 PolarHBondContact O-N 3.21Å; T452-M456 WeakPolarHBondContact O-CG 3.05Å; T452-M456 PolarHBondContact O-N 3.45Å; T452-M469 HydrophobicContact CG2-CE 3.21Å; T452-I474 HydrophobicContact CG2-CD1 3.81Å; T452-I474 HydrophobicContact CG2-CG1 4.47Å; T452-I484 HydrophobicContact CG2-CD1 4.19Å; T452-I484 WeakPolarHBondContact O-CD1 3.35Å; T452-Y534 HydrophobicContact CG2-CD2 3.84Å; T452-Y534 HydrophobicContact CG2-CE2 3.68Å
453	A	98.5	Very high	95.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.9	-37.9	174.8	0	0	0	0	0	112.3	A449 R450 M456 D457 Y534 F599 I602 L603 I606	A449-A453 PolarHBondContact O-N 3.15Å; R450-A453 WeakPolarHBondContact O-CB 3.49Å; R450-A453 PolarHBondContact O-N 3.25Å; R450-A453 VanDerWaalsContact O-N 3.11Å; A453-M456 PolarHBondContact O-N 2.8Å; A453-D457 VanDerWaalsContact O-CB 3.31Å; A453-D457 WeakPolarHBondContact O-CB 3.28Å; A453-D457 PolarHBondContact O-N 3.44Å; A453-Y534 HydrophobicContact CB-CE2 4.39Å; A453-F599 HydrophobicContact CB-CD1 4.08Å; A453-F599 HydrophobicContact CB-CE1 4.44Å; A453-I602 HydrophobicContact CB-CG2 4.22Å; A453-L603 HydrophobicContact CB-CD1 4.34Å; A453-I606 HydrophobicContact CB-CD1 4.18Å
454	Q	97.9	Very high	95.8	Very high	28 Å²	28	28.2 Å²	28.2	13%	0.131	15%	0.148	C	C	.	.	H	α-helix	trans	-62.3	-44.6	175.6	-71.1	-176.3	-52.1	0	0	112.4	R450 Q451 T452 Y458 L603	R450-Q454 WeakPolarHBondContact O-CG 3.36Å; R450-Q454 PolarHBondContact O-N 2.75Å; Q451-Q454 WeakPolarHBondContact O-CB 3.2Å; Q451-Q454 PolarHBondContact O-N 3.44Å; T452-Q454 VanDerWaalsContact C-N 3.32Å; T452-Q454 PolarHBondContact O-N 3.22Å; Q454-Y458 PolarHBondContact O-N 3.26Å; Q454-Y458 VanDerWaalsContact O-N 3.08Å; Q454-L603 HydrophobicContact CG-CD1 3.55Å; Q454-L603 HydrophobicContact CG-CD2 3.93Å; Q454-L603 HydrophobicContact CG-CG 4.42Å
455	G	97.6	Very high	95.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.8	-43.7	175.4	0	0	0	0	0	112.4	Q451 T452 Y458 L459	Q451-G455 PolarHBondContact O-N 3.06Å; T452-G455 PolarHBondContact O-N 3.21Å; G455-Y458 WeakPolarHBondContact O-CB 3.39Å; G455-Y458 PolarHBondContact O-N 2.9Å; G455-L459 PolarHBondContact O-N 3.21Å; G455-L459 VanDerWaalsContact O-N 3.11Å
456	M	98	Very high	95.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-69.4	-38.7	178.5	-70.8	-58.2	-57.2	0	0	113.5	T452 A453 Y458 L459 H460 H466 M469 I484 D530 F599	T452-M456 WeakPolarHBondContact O-CG 3.05Å; T452-M456 PolarHBondContact O-N 3.45Å; A453-M456 PolarHBondContact O-N 2.8Å; M456-Y458 VanDerWaalsContact C-N 3.28Å; M456-Y458 PolarHBondContact O-N 2.73Å; M456-L459 PolarHBondContact O-N 3.03Å; M456-L459 HydrophobicContact SD-CD1 4.06Å; M456-H460 PolarHBondContact O-N 2.71Å; M456-H466 HydrophobicContact CE-CB 3.86Å; M456-H466 HydrophobicContact SD-CB 4.28Å; M456-M469 HydrophobicContact CG-CE 4.01Å; M456-M469 HydrophobicContact SD-CE 4.18Å; M456-M469 HydrophobicContact SD-CG 4.48Å; M456-M469 HydrophobicContact SD-SD 4.01Å; M456-I484 HydrophobicContact CG-CD1 3.87Å; M456-I484 HydrophobicContact SD-CD1 4.06Å; M456-D530 HydrophobicContact CE-CB 3.78Å; M456-F599 HydrophobicContact CB-CD1 3.6Å; M456-F599 HydrophobicContact CB-CD2 3.81Å; M456-F599 HydrophobicContact CB-CE1 3.32Å; M456-F599 HydrophobicContact CB-CE2 3.55Å; M456-F599 HydrophobicContact CB-CG 3.85Å; M456-F599 HydrophobicContact CB-CZ 3.29Å; M456-F599 HydrophobicContact CE-CE2 3.9Å; M456-F599 HydrophobicContact CE-CZ 4.06Å; M456-F599 HydrophobicContact CG-CE1 3.84Å; M456-F599 HydrophobicContact CG-CE2 4.18Å; M456-F599 HydrophobicContact CG-CZ 3.61Å
457	D	97.8	Very high	95.2	Very high	44 Å²	44	31.6 Å²	31.6	24%	0.235	16%	0.161	C	C	.	.	H	α-helix	trans	-57.4	-44.5	172.8	-170.3	44.6	0	0	0	110.9	A453 L459 H460 A461 F599 P600	A453-D457 VanDerWaalsContact O-CB 3.31Å; A453-D457 WeakPolarHBondContact O-CB 3.28Å; A453-D457 PolarHBondContact O-N 3.44Å; D457-L459 PolarHBondContact O-N 3.4Å; D457-H460 PolarHBondContact O-N 3.48Å; D457-A461 VanDerWaalsContact O-CB 3.28Å; D457-A461 WeakPolarHBondContact O-CB 3.2Å; D457-A461 PolarHBondContact O-N 2.9Å; D457-F599 HydrophobicContact CB-CB 3.81Å; D457-P600 VanDerWaalsContact OD1-CD 3.22Å; D457-P600 WeakPolarHBondContact OD1-CD 3.29Å; D457-P600 VanDerWaalsContact OD1-CG 3.29Å; D457-P600 WeakPolarHBondContact OD1-CG 3.47Å
458	Y	97.1	Very high	94.9	Very high	42 Å²	42	31.3 Å²	31.3	17%	0.165	16%	0.159	C	C	.	.	H	α-helix	trans	-58.7	-45.4	174.5	172.8	-91.4	0	0	0	112.8	K399 T400 R401 H402 I405 Q454 G455 M456 A461 K462	K399-Y458 PolarHBondContact O-OH 3.17Å; T400-Y458 WeakPolarHBondContact CA-OH 3.44Å; T400-Y458 HydrophobicContact CG2-CE1 4.31Å; R401-Y458 PolarHBondContact N-OH 2.92Å; R401-Y458 PolarHBondContact O-OH 3.05Å; H402-Y458 HydrophobicContact CB-CD1 3.73Å; H402-Y458 HydrophobicContact CB-CD2 3.92Å; H402-Y458 HydrophobicContact CB-CE1 3.89Å; H402-Y458 HydrophobicContact CB-CE2 4.06Å; H402-Y458 HydrophobicContact CB-CG 3.74Å; H402-Y458 AromaticContact CD2-CD2 3.78Å; H402-Y458 AromaticContact CD2-CG 3.92Å; H402-Y458 AromaticContact CG-CG 3.8Å; I405-Y458 HydrophobicContact CG1-CD1 3.9Å; I405-Y458 HydrophobicContact CG1-CE1 4.39Å; Q454-Y458 PolarHBondContact O-N 3.26Å; Q454-Y458 VanDerWaalsContact O-N 3.08Å; G455-Y458 WeakPolarHBondContact O-CB 3.39Å; G455-Y458 PolarHBondContact O-N 2.9Å; M456-Y458 VanDerWaalsContact C-N 3.28Å; M456-Y458 PolarHBondContact O-N 2.73Å; Y458-A461 PolarHBondContact O-N 2.89Å; Y458-K462 HydrophobicContact CE1-CG 4.38Å; Y458-K462 WeakPolarHBondContact O-CG 3.32Å; Y458-K462 PolarHBondContact O-N 3.25Å
459	L	94.9	Very high	94.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.5	-46.1	178	-68.7	177.4	0	0	0	111.3	T400 I405 G455 M456 D457 A461 K462 N463 I464 F487	T400-L459 HydrophobicContact CG2-CD2 4.06Å; I405-L459 HydrophobicContact CD1-CD1 3.84Å; I405-L459 HydrophobicContact CD1-CD2 4Å; I405-L459 HydrophobicContact CD1-CG 3.74Å; I405-L459 HydrophobicContact CG1-CD2 4.39Å; G455-L459 PolarHBondContact O-N 3.21Å; G455-L459 VanDerWaalsContact O-N 3.11Å; M456-L459 PolarHBondContact O-N 3.03Å; M456-L459 HydrophobicContact SD-CD1 4.06Å; D457-L459 PolarHBondContact O-N 3.4Å; L459-A461 PolarHBondContact O-N 3Å; L459-K462 CarbonylContact O-C 3.59Å; L459-K462 WeakPolarHBondContact O-CA 3.17Å; L459-K462 WeakPolarHBondContact O-CB 3.13Å; L459-K462 PolarHBondContact O-N 3.2Å; L459-N463 PolarHBondContact O-N 3.5Å; L459-I464 CarbonylContact C-O 3.5Å; L459-I464 HydrophobicContact CB-CB 4.21Å; L459-I464 HydrophobicContact CD2-CB 4.39Å; L459-I464 HydrophobicContact CD2-CD1 4.13Å; L459-I464 HydrophobicContact CD2-CG2 4.3Å; L459-I464 WeakPolarHBondContact O-CB 2.97Å; L459-I464 PolarHBondContact O-N 3.36Å; L459-F487 HydrophobicContact CD1-CB 4.21Å; L459-F487 HydrophobicContact CD1-CD2 4.26Å; L459-F487 HydrophobicContact CD1-CG 4.07Å; L459-F487 HydrophobicContact CD2-CD2 3.87Å; L459-F487 HydrophobicContact CD2-CE2 3.83Å; L459-F487 HydrophobicContact CD2-CG 4.44Å; L459-F487 HydrophobicContact CD2-CZ 4.38Å
460	H	95.2	Very high	94.5	Very high	14 Å²	14	32.4 Å²	32.4	7%	0.065	16%	0.164	C	C	.	.	H	α-helix	trans	-66.3	-37.3	179.9	-74.6	-162.7	0	0	0	111.9	M456 D457 K462 N463 I464 F527 D530 F599	M456-H460 PolarHBondContact O-N 2.71Å; D457-H460 PolarHBondContact O-N 3.48Å; H460-K462 PolarHBondContact O-N 2.97Å; H460-N463 WeakPolarHBondContact O-CA 3.49Å; H460-N463 PolarHBondContact O-N 3.12Å; H460-I464 PolarHBondContact CD2-O 2.84Å; H460-I464 VanDerWaalsContact CD2-O 3.28Å; H460-F527 HydrophobicContact CB-CD1 4.23Å; H460-F527 HydrophobicContact CB-CE1 4.32Å; H460-F527 AromaticContact CD2-CD1 3.69Å; H460-F527 VanDerWaalsContact CE1-CA 3.43Å; H460-F527 WeakPolarHBondContact CE1-CA 3.37Å; H460-F527 AromaticContact CE1-CD1 3.75Å; H460-F527 AromaticContact CE1-CG 3.92Å; H460-F527 PolarHBondContact CE1-O 2.84Å; H460-F527 AromaticContact CG-CD1 3.61Å; H460-F527 WeakPolarHBondContact ND1-CB 3.4Å; H460-F527 AromaticContact ND1-CD1 3.65Å; H460-F527 AromaticContact ND1-CG 3.64Å; H460-F527 AromaticContact NE2-CD1 3.76Å; H460-D530 IonicContact CD2-OD2 3.48Å; H460-D530 IonicContact CE1-OD2 2.95Å; H460-D530 IonicContact NE2-OD2 2.82Å; H460-D530 PolarHBondContact NE2-OD2 2.86Å; H460-F599 AromaticContact CE1-CD2 3.47Å; H460-F599 VanDerWaalsContact CE1-CD2 3.47Å; H460-F599 WeakPolarHBondContact CE1-CD2 3.44Å; H460-F599 AromaticContact CE1-CE2 3.43Å; H460-F599 VanDerWaalsContact CE1-CE2 3.43Å; H460-F599 WeakPolarHBondContact CE1-CE2 3.29Å; H460-F599 AromaticContact ND1-CD2 3.37Å; H460-F599 WeakPolarHBondContact ND1-CD2 3.48Å; H460-F599 AromaticContact ND1-CE2 3.85Å
461	A	94.9	Very high	94.4	Very high	79 Å²	79	30.7 Å²	30.7	65%	0.653	16%	0.158	S	C	*	.	H	α-helix	trans	-62.1	-25.1	172.2	0	0	0	0	0	113	D457 Y458 L459 N463	D457-A461 VanDerWaalsContact O-CB 3.28Å; D457-A461 WeakPolarHBondContact O-CB 3.2Å; D457-A461 PolarHBondContact O-N 2.9Å; Y458-A461 PolarHBondContact O-N 2.89Å; L459-A461 PolarHBondContact O-N 3Å; A461-N463 VanDerWaalsContact C-N 3.33Å
462	K	91.9	Very high	94.2	Very high	110 Å²	110	32.5 Å²	32.5	48%	0.478	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	6.4	171.7	-67.8	-70.3	-174	179.3	0	113.5	Y458 L459 H460 I464	Y458-K462 HydrophobicContact CE1-CG 4.38Å; Y458-K462 WeakPolarHBondContact O-CG 3.32Å; Y458-K462 PolarHBondContact O-N 3.25Å; L459-K462 CarbonylContact O-C 3.59Å; L459-K462 WeakPolarHBondContact O-CA 3.17Å; L459-K462 WeakPolarHBondContact O-CB 3.13Å; L459-K462 PolarHBondContact O-N 3.2Å; H460-K462 PolarHBondContact O-N 2.97Å; K462-I464 VanDerWaalsContact C-N 3.31Å; K462-I464 HydrophobicContact CB-CD1 3.84Å; K462-I464 HydrophobicContact CB-CG1 4Å
463	N	91	Very high	94	Very high	133 Å²	133	33 Å²	33	71%	0.711	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	36	-173.2	-59.5	-57.1	0	0	0	113.9	L459 H460 A461	L459-N463 PolarHBondContact O-N 3.5Å; H460-N463 WeakPolarHBondContact O-CA 3.49Å; H460-N463 PolarHBondContact O-N 3.12Å; A461-N463 VanDerWaalsContact C-N 3.33Å
464	I	90.1	Very high	93.9	Very high	14 Å²	14	33 Å²	33	7%	0.072	17%	0.171	C	C	.	.			trans	-104.8	120.7	177.9	-56.4	171.7	0	0	0	108.8	V396 T400 L459 H460 K462 F487	V396-I464 HydrophobicContact CG1-CD1 3.52Å; V396-I464 HydrophobicContact CG1-CG1 3.67Å; V396-I464 HydrophobicContact CG1-CG2 4.07Å; T400-I464 HydrophobicContact CG2-CD1 3.64Å; L459-I464 CarbonylContact C-O 3.5Å; L459-I464 HydrophobicContact CB-CB 4.21Å; L459-I464 HydrophobicContact CD2-CB 4.39Å; L459-I464 HydrophobicContact CD2-CD1 4.13Å; L459-I464 HydrophobicContact CD2-CG2 4.3Å; L459-I464 WeakPolarHBondContact O-CB 2.97Å; L459-I464 PolarHBondContact O-N 3.36Å; H460-I464 PolarHBondContact CD2-O 2.84Å; H460-I464 VanDerWaalsContact CD2-O 3.28Å; K462-I464 VanDerWaalsContact C-N 3.31Å; K462-I464 HydrophobicContact CB-CD1 3.84Å; K462-I464 HydrophobicContact CB-CG1 4Å; I464-F487 HydrophobicContact CG2-CD2 4.38Å
465	I	90.6	Very high	93.8	Very high	35 Å²	35	34.4 Å²	34.4	18%	0.179	18%	0.176	C	C	.	.			trans	-92.4	128	170.5	-53.1	169.2	0	0	0	107.9	R467 F527 D530	I465-R467 HydrophobicContact CB-CG 4.07Å; I465-R467 HydrophobicContact CG2-CG 3.58Å; I465-F527 HydrophobicContact CG1-CD1 3.79Å; I465-F527 HydrophobicContact CG1-CE1 3.77Å; I465-D530 WeakPolarHBondContact CA-OD2 3.48Å; I465-D530 WeakPolarHBondContact CG2-OD2 3.4Å
466	H	91.9	Very high	93.7	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	18%	0.178	C	C	.	.			trans	-70.9	-43.4	-178.5	-173.4	-38	0	0	0	112	M456 D468 M469 I484 G485 F487 D530	M456-H466 HydrophobicContact CE-CB 3.86Å; M456-H466 HydrophobicContact SD-CB 4.28Å; H466-D468 PolarHBondContact CE1-O 3.43Å; H466-D468 VanDerWaalsContact CE1-O 3.25Å; H466-D468 PolarHBondContact ND1-N 3.44Å; H466-D468 PolarHBondContact O-N 3.37Å; H466-M469 HydrophobicContact CB-CB 4.46Å; H466-I484 WeakPolarHBondContact NE2-CG2 3.31Å; H466-G485 PolarHBondContact CE1-O 2.87Å; H466-G485 PolarHBondContact NE2-O 2.56Å; H466-F487 HydrophobicContact CB-CB 4.19Å; H466-D530 PolarHBondContact N-OD1 2.93Å; H466-D530 PolarHBondContact N-OD2 3.05Å
467	R	89.1	Confident	93.2	Very high	75 Å²	75	36 Å²	36	28%	0.283	18%	0.184	S	C	.	.	S	Bend	trans	67.8	-10.8	176.4	-55	171.3	170.2	-150.9	5.2	117.1	I465 A490 E503 F525 D530	I465-R467 HydrophobicContact CB-CG 4.07Å; I465-R467 HydrophobicContact CG2-CG 3.58Å; R467-A490 HydrophobicContact CB-CB 4.44Å; R467-A490 HydrophobicContact CG-CB 4.4Å; R467-A490 VanDerWaalsContact NH1-CB 3.27Å; R467-E503 IonicContact CZ-OE1 3.32Å; R467-E503 IonicContact NH1-OE1 2.72Å; R467-E503 PolarHBondContact NH1-OE1 3.02Å; R467-F525 HydrophobicContact CB-CD1 3.78Å; R467-F525 HydrophobicContact CB-CE1 4.02Å; R467-F525 HydrophobicContact CB-CG 4.4Å; R467-F525 HydrophobicContact CG-CB 4.04Å; R467-F525 HydrophobicContact CG-CD1 3.83Å; R467-F525 HydrophobicContact CG-CG 4.01Å; R467-D530 PolarHBondContact N-OD1 3.22Å
468	D	87.6	Confident	92.6	Very high	28 Å²	28	40.2 Å²	40.2	15%	0.15	20%	0.202	C	C	.	.	S	Bend	trans	-144.1	42.8	179.5	-171.8	35.5	0	0	0	110.2	H466 K470 N473 K493	H466-D468 PolarHBondContact CE1-O 3.43Å; H466-D468 VanDerWaalsContact CE1-O 3.25Å; H466-D468 PolarHBondContact ND1-N 3.44Å; H466-D468 PolarHBondContact O-N 3.37Å; D468-K470 VanDerWaalsContact CG-NZ 3.3Å; D468-K470 PolarHBondContact O-N 3.15Å; D468-K470 WeakPolarHBondContact OD1-CE 3.41Å; D468-K470 IonicContact OD1-NZ 3.38Å; D468-K470 PolarHBondContact OD1-NZ 3.06Å; D468-K470 IonicContact OD2-NZ 3.45Å; D468-K470 PolarHBondContact OD2-NZ 3.11Å; D468-N473 PolarHBondContact O-ND2 2.98Å; D468-N473 PolarHBondContact OD2-ND2 3.37Å; D468-K493 IonicContact OD2-NZ 2.66Å; D468-K493 PolarHBondContact OD2-NZ 3.43Å
469	M	93.3	Very high	91.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.219	C	C	.	.			trans	-72.1	123.6	179.5	178.6	56.8	171.3	0	0	109.7	T452 M456 H466 I474 I484 S533 Y534	T452-M469 HydrophobicContact CG2-CE 3.21Å; M456-M469 HydrophobicContact CG-CE 4.01Å; M456-M469 HydrophobicContact SD-CE 4.18Å; M456-M469 HydrophobicContact SD-CG 4.48Å; M456-M469 HydrophobicContact SD-SD 4.01Å; H466-M469 HydrophobicContact CB-CB 4.46Å; M469-I474 HydrophobicContact CE-CD1 3.53Å; M469-I474 HydrophobicContact CE-CG1 3.97Å; M469-I474 HydrophobicContact SD-CD1 4.31Å; M469-I474 HydrophobicContact SD-CG1 4.32Å; M469-I484 HydrophobicContact CE-CD1 4.49Å; M469-I484 HydrophobicContact SD-CG2 4.44Å; M469-S533 WeakPolarHBondContact O-CB 3.44Å; M469-Y534 HydrophobicContact CE-CD2 4.19Å
470	K	94.3	Very high	91.5	Very high	24 Å²	24	42.1 Å²	42.1	10%	0.104	23%	0.227	C	C	.	.	S	Bend	trans	-166.2	161.6	-178.6	59	-169.6	176.2	-152.8	0	111	D468 N472 N473 S508 W511	D468-K470 VanDerWaalsContact CG-NZ 3.3Å; D468-K470 PolarHBondContact O-N 3.15Å; D468-K470 WeakPolarHBondContact OD1-CE 3.41Å; D468-K470 IonicContact OD1-NZ 3.38Å; D468-K470 PolarHBondContact OD1-NZ 3.06Å; D468-K470 IonicContact OD2-NZ 3.45Å; D468-K470 PolarHBondContact OD2-NZ 3.11Å; K470-N472 HydrophobicContact CD-CB 4.34Å; K470-N472 HydrophobicContact CG-CB 4.15Å; K470-N472 PolarHBondContact O-N 3.44Å; K470-N472 VanDerWaalsContact O-N 3.12Å; K470-N473 WeakPolarHBondContact CE-ND2 3.47Å; K470-N473 HydrophobicContact CG-CB 4.26Å; K470-N473 PolarHBondContact O-N 3.31Å; K470-S508 WeakPolarHBondContact CD-OG 3.47Å; K470-S508 PolarHBondContact NZ-OG 2.72Å; K470-S508 VanDerWaalsContact NZ-OG 3.11Å; K470-W511 HydrophobicContact CB-CB 4.48Å; K470-W511 HydrophobicContact CB-CD2 3.59Å; K470-W511 HydrophobicContact CB-CE3 4.16Å; K470-W511 HydrophobicContact CB-CG 3.73Å; K470-W511 HydrophobicContact CB-CZ2 4.22Å
471	S	95.6	Very high	91.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-61.4	-21.2	-179.4	58	0	0	0	0	114.1	L429 Y430 N473 E540	L429-S471 PolarHBondContact N-O 3.38Å; Y430-S471 WeakPolarHBondContact CB-OG 3.39Å; Y430-S471 WeakPolarHBondContact CD2-OG 3.21Å; Y430-S471 PolarHBondContact N-O 2.89Å; S471-N473 VanDerWaalsContact C-N 3.3Å; S471-N473 PolarHBondContact O-N 2.9Å; S471-E540 VanDerWaalsContact CB-OE1 3.28Å; S471-E540 WeakPolarHBondContact CB-OE1 3.48Å; S471-E540 PolarHBondContact OG-OE1 3.11Å; S471-E540 PolarHBondContact OG-OE2 2.82Å
472	N	92.7	Very high	91.6	Very high	53 Å²	53	39.6 Å²	39.6	28%	0.283	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-68.9	-26.4	172.1	-57.5	89	0	0	0	113.5	S428 Y430 K470	S428-N472 WeakPolarHBondContact CB-O 2.92Å; Y430-N472 WeakPolarHBondContact CD2-OD1 3.45Å; Y430-N472 VanDerWaalsContact CG-ND2 3.28Å; K470-N472 HydrophobicContact CD-CB 4.34Å; K470-N472 HydrophobicContact CG-CB 4.15Å; K470-N472 PolarHBondContact O-N 3.44Å; K470-N472 VanDerWaalsContact O-N 3.12Å
473	N	93.4	Very high	91.8	Very high	11 Å²	11	35.4 Å²	35.4	6%	0.059	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-99.6	5.8	-176.6	-69.3	-10	0	0	0	112.3	D468 K470 S471 G485 D486	D468-N473 PolarHBondContact O-ND2 2.98Å; D468-N473 PolarHBondContact OD2-ND2 3.37Å; K470-N473 WeakPolarHBondContact CE-ND2 3.47Å; K470-N473 HydrophobicContact CG-CB 4.26Å; K470-N473 PolarHBondContact O-N 3.31Å; S471-N473 VanDerWaalsContact C-N 3.3Å; S471-N473 PolarHBondContact O-N 2.9Å; N473-G485 PolarHBondContact O-N 3.48Å; N473-D486 HydrophobicContact CB-CB 4.33Å
474	I	96.4	Very high	92	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116.6	175.1	-59.5	170.2	0	0	0	106.5	S428 L429 T452 M469 V482 V537	S428-I474 CarbonylContact C-O 3.51Å; S428-I474 VanDerWaalsContact CA-O 3.28Å; S428-I474 WeakPolarHBondContact CA-O 3.21Å; L429-I474 HydrophobicContact CB-CB 4.07Å; L429-I474 HydrophobicContact CB-CG2 4.11Å; L429-I474 HydrophobicContact CD2-CB 4.44Å; L429-I474 HydrophobicContact CD2-CD1 4.14Å; L429-I474 HydrophobicContact CD2-CG2 4.19Å; L429-I474 PolarHBondContact N-O 2.83Å; T452-I474 HydrophobicContact CG2-CD1 3.81Å; T452-I474 HydrophobicContact CG2-CG1 4.47Å; M469-I474 HydrophobicContact CE-CD1 3.53Å; M469-I474 HydrophobicContact CE-CG1 3.97Å; M469-I474 HydrophobicContact SD-CD1 4.31Å; M469-I474 HydrophobicContact SD-CG1 4.32Å; I474-V482 HydrophobicContact CG2-CG1 3.7Å; I474-V537 HydrophobicContact CD1-CB 4.48Å; I474-V537 HydrophobicContact CD1-CG1 3.68Å; I474-V537 HydrophobicContact CD1-CG2 4.05Å
475	F	95.8	Very high	92	Very high	58 Å²	58	28.4 Å²	28.4	25%	0.254	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	137.8	178.8	-59.6	-92.7	0	0	0	110	C424 V482 K483	C424-F475 HydrophobicContact CB-CB 4.43Å; F475-V482 CarbonylContact O-C 3.57Å; F475-V482 WeakPolarHBondContact O-CA 3.49Å; F475-K483 HydrophobicContact CB-CB 4.29Å; F475-K483 PolarHBondContact N-O 2.86Å; F475-K483 PolarHBondContact O-N 3.08Å
476	L	95.8	Very high	91.6	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.031	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	110.5	168.8	-57.6	-175.9	0	0	0	107.1	G426 S427 L429 F440 I448 L480 V482	G426-L476 VanDerWaalsContact CA-O 3.26Å; G426-L476 WeakPolarHBondContact CA-O 3.45Å; S427-L476 PolarHBondContact O-N 3.47Å; L429-L476 HydrophobicContact CD1-CD1 4.14Å; F440-L476 HydrophobicContact CE1-CD1 4.35Å; F440-L476 HydrophobicContact CE2-CD1 4.46Å; F440-L476 HydrophobicContact CZ-CD1 3.72Å; I448-L476 HydrophobicContact CD1-CD1 4Å; I448-L476 HydrophobicContact CD1-CD2 4.15Å; I448-L476 HydrophobicContact CG1-CD2 4.08Å; I448-L476 HydrophobicContact CG2-CD2 4.19Å; L476-L480 HydrophobicContact CD1-CD2 4.09Å; L476-V482 HydrophobicContact CD2-CG2 3.91Å
477	H	89.1	Confident	90.7	Very high	27 Å²	27	29.5 Å²	29.5	13%	0.125	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	152	177.9	-179.1	61.3	0	0	0	109.2	E425 G479 L480 T481 K483	E425-H477 PolarHBondContact N-ND1 2.87Å; H477-G479 PolarHBondContact O-N 3.11Å; H477-L480 PolarHBondContact O-N 3.33Å; H477-T481 PolarHBondContact N-O 3.21Å; H477-T481 WeakPolarHBondContact O-CB 3.44Å; H477-T481 PolarHBondContact O-N 3.14Å; H477-K483 HydrophobicContact CB-CG 4.08Å
478	E	84.6	Confident	89.4	Confident	133 Å²	133	26.6 Å²	26.6	62%	0.621	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	11.6	105.6	171.2	-68.5	175.1	-163.3	0	0	115.9	T481	E478-T481 PolarHBondContact O-OG1 3.49Å; E478-T481 VanDerWaalsContact O-OG1 3.12Å
479	G	80.4	Confident	88.2	Confident	49 Å²	49	25.7 Å²	25.7	51%	0.505	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	28.6	179	0	0	0	0	0	114.9	H477 T481	H477-G479 PolarHBondContact O-N 3.11Å; G479-T481 VanDerWaalsContact C-N 3.28Å; G479-T481 PolarHBondContact O-N 2.72Å
480	L	87.9	Confident	86.5	Confident	33 Å²	33	26.4 Å²	26.4	17%	0.173	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	26.9	-179.6	-52	173.3	0	0	0	114.2	F440 Q444 Q451 L476 H477 V482	F440-L480 HydrophobicContact CE1-CD1 4.4Å; F440-L480 HydrophobicContact CE1-CD2 3.75Å; F440-L480 HydrophobicContact CZ-CD2 4.45Å; Q444-L480 HydrophobicContact CB-CD1 4.39Å; Q444-L480 HydrophobicContact CG-CD1 4.24Å; Q451-L480 PolarHBondContact NE2-O 2.9Å; Q451-L480 VanDerWaalsContact NE2-O 3.09Å; L476-L480 HydrophobicContact CD1-CD2 4.09Å; H477-L480 PolarHBondContact O-N 3.33Å; L480-V482 PolarHBondContact O-N 3.18Å
481	T	95.2	Very high	84.7	Confident	40 Å²	40	26.8 Å²	26.8	25%	0.245	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	120.1	169	-57.2	0	0	0	0	109.7	V403 H477 E478 G479	V403-T481 HydrophobicContact CG2-CG2 4.26Å; H477-T481 PolarHBondContact N-O 3.21Å; H477-T481 WeakPolarHBondContact O-CB 3.44Å; H477-T481 PolarHBondContact O-N 3.14Å; E478-T481 PolarHBondContact O-OG1 3.49Å; E478-T481 VanDerWaalsContact O-OG1 3.12Å; G479-T481 VanDerWaalsContact C-N 3.28Å; G479-T481 PolarHBondContact O-N 2.72Å
482	V	97.6	Very high	82.7	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	136.9	178.3	170.3	0	0	0	0	110.5	N404 I448 Q451 I474 F475 L476 L480 I484	N404-V482 WeakPolarHBondContact CA-O 3.38Å; N404-V482 PolarHBondContact ND2-O 3.24Å; I448-V482 HydrophobicContact CB-CG2 4.38Å; I448-V482 HydrophobicContact CG2-CG2 3.97Å; Q451-V482 HydrophobicContact CB-CB 3.76Å; Q451-V482 HydrophobicContact CB-CG2 3.71Å; I474-V482 HydrophobicContact CG2-CG1 3.7Å; F475-V482 CarbonylContact O-C 3.57Å; F475-V482 WeakPolarHBondContact O-CA 3.49Å; L476-V482 HydrophobicContact CD2-CG2 3.91Å; L480-V482 PolarHBondContact O-N 3.18Å; V482-I484 HydrophobicContact CG1-CG1 4.21Å
483	K	95.8	Very high	81	Confident	21 Å²	21	26.7 Å²	26.7	9%	0.091	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	114.7	169.9	-63.6	-74.2	-178.8	-178.7	0	109.8	V403 L406 F475 H477	V403-K483 WeakPolarHBondContact O-CD 3.3Å; V403-K483 WeakPolarHBondContact O-CE 3.34Å; V403-K483 PolarHBondContact O-NZ 3.18Å; L406-K483 HydrophobicContact CD1-CB 4.13Å; F475-K483 HydrophobicContact CB-CB 4.29Å; F475-K483 PolarHBondContact N-O 2.86Å; F475-K483 PolarHBondContact O-N 3.08Å; H477-K483 HydrophobicContact CB-CG 4.08Å
484	I	95.2	Very high	79.2	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	122.7	175.9	-55.4	173.4	0	0	0	109.1	N404 I405 L406 T452 M456 H466 M469 V482 F487	N404-I484 WeakPolarHBondContact O-CG1 3.34Å; N404-I484 PolarHBondContact O-N 3.35Å; I405-I484 HydrophobicContact CD1-CB 3.99Å; I405-I484 HydrophobicContact CD1-CD1 4.29Å; L406-I484 WeakPolarHBondContact CB-O 3.28Å; L406-I484 PolarHBondContact N-O 3.42Å; T452-I484 HydrophobicContact CG2-CD1 4.19Å; T452-I484 WeakPolarHBondContact O-CD1 3.35Å; M456-I484 HydrophobicContact CG-CD1 3.87Å; M456-I484 HydrophobicContact SD-CD1 4.06Å; H466-I484 WeakPolarHBondContact NE2-CG2 3.31Å; M469-I484 HydrophobicContact CE-CD1 4.49Å; M469-I484 HydrophobicContact SD-CG2 4.44Å; V482-I484 HydrophobicContact CG1-CG1 4.21Å; I484-F487 WeakPolarHBondContact O-CE1 3.49Å
485	G	90	Very high	77.1	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.01	18%	0.183	C	C	.	.			trans	-118.4	-179.3	179	0	0	0	0	0	112.9	H466 N473 F487	H466-G485 PolarHBondContact CE1-O 2.87Å; H466-G485 PolarHBondContact NE2-O 2.56Å; N473-G485 PolarHBondContact O-N 3.48Å; G485-F487 PolarHBondContact O-N 3.34Å
486	D	82.4	Confident	75.1	Confident	54 Å²	54	34.2 Å²	34.2	29%	0.289	18%	0.181	S	C	.	.	S	Bend	trans	57.7	18.8	172.7	-92.2	19.5	0	0	0	116.3	K375 N473 K493	K375-D486 IonicContact NZ-OD1 3.95Å; K375-D486 PolarHBondContact NZ-OD1 3.48Å; K375-D486 IonicContact NZ-OD2 3.85Å; K375-D486 PolarHBondContact NZ-OD2 2.99Å; N473-D486 HydrophobicContact CB-CB 4.33Å; D486-K493 PolarHBondContact O-NZ 3.08Å; D486-K493 VanDerWaalsContact O-NZ 3.11Å
487	F	73.3	Confident	73.2	Confident	6 Å²	6	37.9 Å²	37.9	3%	0.026	21%	0.207	C	C	.	.			trans	-81	158.9	171.6	63.6	-87.5	0	0	0	111.7	L397 T400 I405 L459 I464 H466 I484 G485 L489	L397-F487 HydrophobicContact CD2-CD2 3.88Å; L397-F487 HydrophobicContact CD2-CE2 3.36Å; L397-F487 HydrophobicContact CD2-CZ 3.74Å; T400-F487 HydrophobicContact CG2-CE2 3.81Å; T400-F487 HydrophobicContact CG2-CZ 4.21Å; I405-F487 HydrophobicContact CG2-CD1 4.5Å; I405-F487 HydrophobicContact CG2-CE1 3.42Å; I405-F487 VanDerWaalsContact CG2-CE1 3.42Å; I405-F487 HydrophobicContact CG2-CE2 4.39Å; I405-F487 HydrophobicContact CG2-CZ 3.35Å; L459-F487 HydrophobicContact CD1-CB 4.21Å; L459-F487 HydrophobicContact CD1-CD2 4.26Å; L459-F487 HydrophobicContact CD1-CG 4.07Å; L459-F487 HydrophobicContact CD2-CD2 3.87Å; L459-F487 HydrophobicContact CD2-CE2 3.83Å; L459-F487 HydrophobicContact CD2-CG 4.44Å; L459-F487 HydrophobicContact CD2-CZ 4.38Å; I464-F487 HydrophobicContact CG2-CD2 4.38Å; H466-F487 HydrophobicContact CB-CB 4.19Å; I484-F487 WeakPolarHBondContact O-CE1 3.49Å; G485-F487 PolarHBondContact O-N 3.34Å; F487-L489 PolarHBondContact O-N 3.45Å
488	G	61.4	Low	71.6	Confident	14 Å²	14	39.3 Å²	39.3	14%	0.144	23%	0.229	C	C	.	.	S	Bend	trans	72	-2.6	172.6	0	0	0	0	0	115.7	E393 A490	E393-G488 VanDerWaalsContact CD-O 3.23Å; E393-G488 VanDerWaalsContact CG-O 3.27Å; E393-G488 WeakPolarHBondContact CG-O 3.48Å; G488-A490 VanDerWaalsContact C-N 3.25Å; G488-A490 PolarHBondContact O-N 3.19Å
489	L	62.7	Low	70	Confident	8 Å²	8	37.1 Å²	37.1	4%	0.042	23%	0.229	C	C	.	.			trans	-83.5	17.3	-177.5	-61.3	-179.9	0	0	0	114.9	E393 L397 I419 F487 T491 V492 K493	E393-L489 VanDerWaalsContact CD-CA 3.44Å; E393-L489 WeakPolarHBondContact OE1-CA 3.13Å; E393-L489 VanDerWaalsContact OE2-CA 3.28Å; E393-L489 WeakPolarHBondContact OE2-CA 3.49Å; E393-L489 VanDerWaalsContact OE2-CD2 3.26Å; E393-L489 WeakPolarHBondContact OE2-CD2 3.41Å; L397-L489 HydrophobicContact CD1-CD2 4.32Å; I419-L489 HydrophobicContact CD1-CD2 3.46Å; I419-L489 VanDerWaalsContact CD1-CD2 3.46Å; F487-L489 PolarHBondContact O-N 3.45Å; L489-T491 VanDerWaalsContact C-N 3.32Å; L489-T491 PolarHBondContact O-N 3.28Å; L489-V492 CarbonylContact O-C 3.58Å; L489-V492 PolarHBondContact O-N 3.18Å; L489-K493 HydrophobicContact CB-CD 4.33Å; L489-K493 HydrophobicContact CB-CG 4.13Å; L489-K493 VanDerWaalsContact O-CB 3.31Å; L489-K493 WeakPolarHBondContact O-CB 3.42Å; L489-K493 WeakPolarHBondContact O-CG 3.48Å; L489-K493 PolarHBondContact O-N 3.21Å
490	A	57.8	Low	68.6	Low	17 Å²	17	41.6 Å²	41.6	14%	0.14	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-28.1	-164.7	0	0	0	0	0	115.4	E393 R467 G488 K493 S494	E393-A490 PolarHBondContact OE1-N 2.9Å; E393-A490 VanDerWaalsContact OE1-N 3.17Å; R467-A490 HydrophobicContact CB-CB 4.44Å; R467-A490 HydrophobicContact CG-CB 4.4Å; R467-A490 VanDerWaalsContact NH1-CB 3.27Å; G488-A490 VanDerWaalsContact C-N 3.25Å; G488-A490 PolarHBondContact O-N 3.19Å; A490-K493 PolarHBondContact O-N 3.33Å; A490-S494 PolarHBondContact O-N 2.97Å
491	T	55.1	Low	67	Low	32 Å²	32	43.4 Å²	43.4	20%	0.196	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-37.2	176.1	68.6	0	0	0	0	110.9	E393 L489 K493 S494 W496	E393-T491 WeakPolarHBondContact CG-OG1 3.28Å; E393-T491 VanDerWaalsContact OE1-CA 3.3Å; E393-T491 WeakPolarHBondContact OE1-CA 3.28Å; E393-T491 WeakPolarHBondContact OE1-CB 3.37Å; E393-T491 PolarHBondContact OE1-N 3.05Å; E393-T491 PolarHBondContact OE1-OG1 2.93Å; L489-T491 VanDerWaalsContact C-N 3.32Å; L489-T491 PolarHBondContact O-N 3.28Å; T491-K493 VanDerWaalsContact C-N 3.26Å; T491-K493 PolarHBondContact O-N 3.34Å; T491-S494 PolarHBondContact O-N 2.99Å; T491-S494 PolarHBondContact O-OG 2.97Å; T491-W496 PolarHBondContact O-NE1 3.41Å
492	V	55.1	Low	65	Low	26 Å²	26	43.9 Å²	43.9	16%	0.158	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-27.4	171.7	175.3	0	0	0	0	111.3	L377 F390 E393 L489	L377-V492 HydrophobicContact CD1-CG1 3.69Å; L377-V492 HydrophobicContact CD1-CG2 4.42Å; L377-V492 HydrophobicContact CD2-CG1 3.81Å; L377-V492 HydrophobicContact CG-CG1 4.35Å; F390-V492 HydrophobicContact CB-CG2 4.36Å; F390-V492 HydrophobicContact CD2-CG2 4.15Å; E393-V492 PolarHBondContact OE1-N 3.45Å; E393-V492 WeakPolarHBondContact OE2-CB 3.41Å; E393-V492 WeakPolarHBondContact OE2-CG2 3.36Å; L489-V492 CarbonylContact O-C 3.58Å; L489-V492 PolarHBondContact O-N 3.18Å
493	K	55.2	Low	63.1	Low	24 Å²	24	46.3 Å²	46.3	10%	0.104	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-15.9	176.9	-70.1	-171.3	174.3	169	0	114.4	F360 D468 D486 L489 A490 T491	F360-K493 VanDerWaalsContact CD1-CA 3.46Å; F360-K493 HydrophobicContact CD1-CB 4.02Å; F360-K493 HydrophobicContact CD1-CG 3.94Å; F360-K493 HydrophobicContact CD2-CB 4.25Å; F360-K493 HydrophobicContact CD2-CD 3.81Å; F360-K493 HydrophobicContact CD2-CG 3.42Å; F360-K493 VanDerWaalsContact CD2-CG 3.42Å; F360-K493 HydrophobicContact CE1-CB 3.61Å; F360-K493 HydrophobicContact CE1-CG 3.89Å; F360-K493 WeakPolarHBondContact CE1-O 3.46Å; F360-K493 HydrophobicContact CE2-CB 3.79Å; F360-K493 HydrophobicContact CE2-CD 3.4Å; F360-K493 VanDerWaalsContact CE2-CD 3.4Å; F360-K493 HydrophobicContact CE2-CG 3.28Å; F360-K493 HydrophobicContact CG-CB 4.31Å; F360-K493 HydrophobicContact CG-CG 3.7Å; F360-K493 HydrophobicContact CZ-CB 3.44Å; F360-K493 VanDerWaalsContact CZ-CB 3.44Å; F360-K493 HydrophobicContact CZ-CD 3.96Å; F360-K493 HydrophobicContact CZ-CG 3.52Å; F360-K493 WeakPolarHBondContact CZ-O 3.27Å; D468-K493 IonicContact OD2-NZ 2.66Å; D468-K493 PolarHBondContact OD2-NZ 3.43Å; D486-K493 PolarHBondContact O-NZ 3.08Å; D486-K493 VanDerWaalsContact O-NZ 3.11Å; L489-K493 HydrophobicContact CB-CD 4.33Å; L489-K493 HydrophobicContact CB-CG 4.13Å; L489-K493 VanDerWaalsContact O-CB 3.31Å; L489-K493 WeakPolarHBondContact O-CB 3.42Å; L489-K493 WeakPolarHBondContact O-CG 3.48Å; L489-K493 PolarHBondContact O-N 3.21Å; A490-K493 PolarHBondContact O-N 3.33Å; T491-K493 VanDerWaalsContact C-N 3.26Å; T491-K493 PolarHBondContact O-N 3.34Å
494	S	56.3	Low	61.1	Low	11 Å²	11	50.4 Å²	50.4	8%	0.077	28%	0.277	C	S	.	.	S	Bend	trans	-78.7	151.4	180	70.5	0	0	0	0	111.9	A490 T491 W496 Q501	A490-S494 PolarHBondContact O-N 2.97Å; T491-S494 PolarHBondContact O-N 2.99Å; T491-S494 PolarHBondContact O-OG 2.97Å; S494-W496 PolarHBondContact OG-NE1 3.33Å; S494-Q501 WeakPolarHBondContact OG-CG 3.41Å
495	R	53.2	Low	59.1	Low	163 Å²	163	53 Å²	53	62%	0.615	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	123	166.9	-84.1	-174.7	172.4	164	-2.5	108	V502	R495-V502 PolarHBondContact N-O 3.23Å; R495-V502 WeakPolarHBondContact O-CA 3.31Å; R495-V502 WeakPolarHBondContact O-CB 3.45Å; R495-V502 PolarHBondContact O-N 2.73Å
496	W	54.1	Low	57.2	Low	54 Å²	54	56 Å²	56	21%	0.205	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	121.5	173.5	-65.6	72.1	0	0	0	108.4	E385 Q386 A389 T491 S494	E385-W496 HydrophobicContact CB-CE3 4.43Å; E385-W496 HydrophobicContact CB-CH2 4.23Å; E385-W496 HydrophobicContact CB-CZ3 3.65Å; Q386-W496 HydrophobicContact CG-CD2 3.61Å; Q386-W496 HydrophobicContact CG-CE3 4.03Å; Q386-W496 HydrophobicContact CG-CG 3.85Å; Q386-W496 HydrophobicContact CG-CZ2 4.27Å; A389-W496 HydrophobicContact CB-CH2 3.7Å; A389-W496 HydrophobicContact CB-CZ2 3.51Å; T491-W496 PolarHBondContact O-NE1 3.41Å; S494-W496 PolarHBondContact OG-NE1 3.33Å
497	S	54.3	Low	56.1	Low	82 Å²	82	54.9 Å²	54.9	57%	0.573	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	86.1	165.6	-69.8	0	0	0	0	107.4	Q500	S497-Q500 PolarHBondContact N-O 2.91Å; S497-Q500 PolarHBondContact O-N 2.94Å
498	G	55.1	Low	56.3	Low	58 Å²	58	56.3 Å²	56.3	60%	0.598	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	-129.1	-167.2	0	0	0	0	0	111.1	Q500	G498-Q500 VanDerWaalsContact C-N 3.32Å
499	S	52.2	Low	57.6	Low	87 Å²	87	56.3 Å²	56.3	61%	0.608	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-8.1	178.4	56.2	0	0	0	0	114.2
500	Q	49.8	Very low	59.1	Low	142 Å²	142	57.5 Å²	57.5	66%	0.664	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.6	-179.1	-72.8	-175.1	-2	0	0	111.7	S497 G498 V502	S497-Q500 PolarHBondContact N-O 2.91Å; S497-Q500 PolarHBondContact O-N 2.94Å; G498-Q500 VanDerWaalsContact C-N 3.32Å; Q500-V502 PolarHBondContact O-N 3.3Å
501	Q	54.7	Low	60.9	Low	71 Å²	71	57.3 Å²	57.3	33%	0.332	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	112.6	170	-157.5	-174.7	-45.7	0	0	109.1	S494 E503	S494-Q501 WeakPolarHBondContact OG-CG 3.41Å; Q501-E503 PolarHBondContact NE2-OE1 3.45Å
502	V	54.2	Low	62.7	Low	50 Å²	50	57 Å²	57	30%	0.303	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	100.3	171.3	-174.2	0	0	0	0	107.7	R495 Q500 Q504	R495-V502 PolarHBondContact N-O 3.23Å; R495-V502 WeakPolarHBondContact O-CA 3.31Å; R495-V502 WeakPolarHBondContact O-CB 3.45Å; R495-V502 PolarHBondContact O-N 2.73Å; Q500-V502 PolarHBondContact O-N 3.3Å; V502-Q504 HydrophobicContact CG1-CG 4.02Å; V502-Q504 PolarHBondContact O-N 2.94Å
503	E	57.7	Low	64.6	Low	51 Å²	51	55.8 Å²	55.8	24%	0.238	31%	0.313	C	S	.	.			trans	-70.5	97.7	169.3	-67	-170.1	167	0	0	108.1	R467 Q501 M519 F525	R467-E503 IonicContact CZ-OE1 3.32Å; R467-E503 IonicContact NH1-OE1 2.72Å; R467-E503 PolarHBondContact NH1-OE1 3.02Å; Q501-E503 PolarHBondContact NE2-OE1 3.45Å; E503-M519 HydrophobicContact CB-CE 4.09Å; E503-M519 WeakPolarHBondContact O-CE 3.35Å; E503-F525 WeakPolarHBondContact OE2-CD2 3.45Å; E503-F525 VanDerWaalsContact OE2-CE2 3.31Å; E503-F525 WeakPolarHBondContact OE2-CE2 3.36Å
504	Q	52.8	Low	66.5	Low	107 Å²	107	54.8 Å²	54.8	50%	0.5	31%	0.309	S	S	.	.			trans	-89.6	150.6	165.3	-72.3	-149.1	5.5	0	0	109.7	V502 T506	V502-Q504 HydrophobicContact CG1-CG 4.02Å; V502-Q504 PolarHBondContact O-N 2.94Å; Q504-T506 HydrophobicContact CB-CG2 3.91Å; Q504-T506 PolarHBondContact O-N 3.26Å; Q504-T506 PolarHBondContact O-OG1 3.4Å
505	P	53.8	Low	68.3	Low	56 Å²	56	54.5 Å²	54.5	36%	0.364	31%	0.306	S	S	.	.			trans	-59	51	163.6	-27.3	37.8	0	0	0	113.9	G507 M512 M519	P505-G507 PolarHBondContact O-N 2.97Å; P505-M512 HydrophobicContact CB-CE 3.79Å; P505-M512 HydrophobicContact CB-SD 4.42Å; P505-M519 HydrophobicContact CG-CG 3.64Å; P505-M519 HydrophobicContact CG-SD 4.26Å
506	T	50.6	Low	70.1	Confident	63 Å²	63	46.9 Å²	46.9	39%	0.387	28%	0.278	S	S	.	.			trans	-87	94.4	174.7	50.4	0	0	0	0	107.5	Q504	Q504-T506 HydrophobicContact CB-CG2 3.91Å; Q504-T506 PolarHBondContact O-N 3.26Å; Q504-T506 PolarHBondContact O-OG1 3.4Å
507	G	58.1	Low	71.9	Confident	30 Å²	30	45.3 Å²	45.3	31%	0.309	27%	0.273	S	S	.	.	S	Bend	trans	-175.8	-173	-178.2	0	0	0	0	0	113.7	P505 V509 R554	P505-G507 PolarHBondContact O-N 2.97Å; G507-V509 PolarHBondContact O-N 2.99Å; G507-V509 VanDerWaalsContact O-N 3.17Å; G507-R554 PolarHBondContact O-NH2 3.03Å
508	S	77.6	Confident	73.7	Confident	37 Å²	37	46.3 Å²	46.3	26%	0.259	26%	0.264	S	S	.	.			trans	-79.3	92.2	177.6	-54.9	0	0	0	0	109.1	K470 L510 W511	K470-S508 WeakPolarHBondContact CD-OG 3.47Å; K470-S508 PolarHBondContact NZ-OG 2.72Å; K470-S508 VanDerWaalsContact NZ-OG 3.11Å; S508-L510 PolarHBondContact O-N 3.12Å; S508-W511 PolarHBondContact O-N 2.82Å
509	V	88.8	Confident	75.1	Confident	13 Å²	13	46.3 Å²	46.3	8%	0.079	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-47.9	-36.2	-171.9	172.7	0	0	0	0	114.1	G507 W511 M512 R554 I557 I558	G507-V509 PolarHBondContact O-N 2.99Å; G507-V509 VanDerWaalsContact O-N 3.17Å; V509-W511 PolarHBondContact O-N 3.47Å; V509-W511 VanDerWaalsContact O-N 3.16Å; V509-M512 WeakPolarHBondContact O-CB 3.49Å; V509-M512 PolarHBondContact O-N 2.94Å; V509-R554 HydrophobicContact CG2-CG 4.01Å; V509-R554 VanDerWaalsContact CG2-NE 3.26Å; V509-I557 HydrophobicContact CG1-CG2 4.06Å; V509-I558 HydrophobicContact CB-CG1 4.4Å; V509-I558 HydrophobicContact CG1-CD1 4.44Å; V509-I558 HydrophobicContact CG1-CG1 3.51Å; V509-I558 HydrophobicContact CG2-CD1 3.93Å; V509-I558 HydrophobicContact CG2-CG1 3.91Å
510	L	93.8	Very high	76.8	Confident	34 Å²	34	49.3 Å²	49.3	18%	0.178	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-60.8	-27.9	-173.1	-54.6	177.7	0	0	0	113.8	S508 L546 P547 Y548 I557	S508-L510 PolarHBondContact O-N 3.12Å; L510-L546 HydrophobicContact CD1-CB 4.15Å; L510-L546 HydrophobicContact CD1-CD1 4.06Å; L510-L546 HydrophobicContact CD1-CD2 4.19Å; L510-L546 HydrophobicContact CD1-CG 4.38Å; L510-P547 HydrophobicContact CB-CG 4.15Å; L510-Y548 HydrophobicContact CD2-CD2 3.94Å; L510-I557 HydrophobicContact CD2-CD1 3.99Å; L510-I557 HydrophobicContact CD2-CG2 4.44Å
511	W	95.5	Very high	78.5	Confident	13 Å²	13	46.1 Å²	46.1	5%	0.049	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-94.4	-9.7	179.8	-64.7	-95.3	0	0	0	113.1	Y430 K470 S508 V509 A513 Y532 S533 I536 E540 L546	Y430-W511 HydrophobicContact CD2-CH2 4.26Å; Y430-W511 HydrophobicContact CD2-CZ2 4.48Å; Y430-W511 HydrophobicContact CE2-CH2 4.13Å; K470-W511 HydrophobicContact CB-CB 4.48Å; K470-W511 HydrophobicContact CB-CD2 3.59Å; K470-W511 HydrophobicContact CB-CE3 4.16Å; K470-W511 HydrophobicContact CB-CG 3.73Å; K470-W511 HydrophobicContact CB-CZ2 4.22Å; S508-W511 PolarHBondContact O-N 2.82Å; V509-W511 PolarHBondContact O-N 3.47Å; V509-W511 VanDerWaalsContact O-N 3.16Å; W511-A513 PolarHBondContact O-N 3.41Å; W511-Y532 WeakPolarHBondContact O-CD1 2.97Å; W511-S533 WeakPolarHBondContact O-CA 3.26Å; W511-S533 PolarHBondContact O-OG 3.25Å; W511-I536 HydrophobicContact CD2-CG2 4.4Å; W511-I536 HydrophobicContact CG-CB 4.32Å; W511-I536 HydrophobicContact CG-CG2 4.01Å; W511-E540 VanDerWaalsContact CE2-OE2 3.3Å; W511-E540 WeakPolarHBondContact CZ2-OE2 3.44Å; W511-E540 PolarHBondContact NE1-OE2 3.3Å; W511-L546 HydrophobicContact CH2-CD2 3.84Å; W511-L546 HydrophobicContact CZ2-CD2 3.92Å
512	M	93.2	Very high	79.6	Confident	24 Å²	24	51.2 Å²	51.2	12%	0.118	27%	0.271	C	S	.	.			trans	-73.6	130.1	-174.2	-62.4	-175.7	67	0	0	111.4	P505 V509 V516 I517 Y532	P505-M512 HydrophobicContact CB-CE 3.79Å; P505-M512 HydrophobicContact CB-SD 4.42Å; V509-M512 WeakPolarHBondContact O-CB 3.49Å; V509-M512 PolarHBondContact O-N 2.94Å; M512-V516 HydrophobicContact CE-CB 4.33Å; M512-V516 HydrophobicContact CE-CG1 3.52Å; M512-I517 HydrophobicContact CB-CD1 4.12Å; M512-I517 HydrophobicContact CB-CG1 3.69Å; M512-I517 HydrophobicContact CE-CG1 4.49Å; M512-Y532 VanDerWaalsContact O-CE1 3.22Å; M512-Y532 WeakPolarHBondContact O-CE1 3.36Å
513	A	94.9	Very high	81	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.008	28%	0.278	C	S	.	.			trans	-66.2	150	175.1	0	0	0	0	0	111.6	W511 E515 V516 I517 Y532	W511-A513 PolarHBondContact O-N 3.41Å; A513-E515 VanDerWaalsContact C-N 3.25Å; A513-E515 VanDerWaalsContact CB-CD 3.47Å; A513-E515 HydrophobicContact CB-CG 4.46Å; A513-E515 WeakPolarHBondContact CB-OE1 3.45Å; A513-E515 WeakPolarHBondContact CB-OE2 3.42Å; A513-E515 PolarHBondContact O-N 3.06Å; A513-V516 HydrophobicContact CB-CG2 4.1Å; A513-V516 WeakPolarHBondContact O-CA 3.47Å; A513-V516 WeakPolarHBondContact O-CB 3.44Å; A513-V516 PolarHBondContact O-N 3.12Å; A513-I517 PolarHBondContact O-N 2.99Å; A513-Y532 VanDerWaalsContact CA-CD1 3.41Å; A513-Y532 HydrophobicContact CB-CD1 3.84Å; A513-Y532 HydrophobicContact CB-CD2 4.32Å; A513-Y532 HydrophobicContact CB-CG 3.69Å
514	P	94.9	Very high	82.5	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.019	27%	0.267	C	S	.	.	H	α-helix	trans	-52.8	-39.4	-179.4	-28.6	35.1	0	0	0	114.1	I517 R518 Y532 V561	P514-I517 PolarHBondContact O-N 2.87Å; P514-R518 WeakPolarHBondContact O-CG 3.45Å; P514-R518 PolarHBondContact O-N 2.91Å; P514-R518 PolarHBondContact O-NH1 3.44Å; P514-Y532 HydrophobicContact CG-CE2 4.25Å; P514-V561 HydrophobicContact CG-CG1 4.08Å
515	E	94.4	Very high	84.3	Confident	5 Å²	5	46.7 Å²	46.7	2%	0.023	25%	0.249	C	C	.	.	H	α-helix	trans	-67.8	-34.2	176.8	67.1	-81.7	-166.3	0	0	113.4	A513 R518 M519 K593 R596	A513-E515 VanDerWaalsContact C-N 3.25Å; A513-E515 VanDerWaalsContact CB-CD 3.47Å; A513-E515 HydrophobicContact CB-CG 4.46Å; A513-E515 WeakPolarHBondContact CB-OE1 3.45Å; A513-E515 WeakPolarHBondContact CB-OE2 3.42Å; A513-E515 PolarHBondContact O-N 3.06Å; E515-R518 PolarHBondContact O-N 2.71Å; E515-M519 PolarHBondContact O-N 3.17Å; E515-M519 VanDerWaalsContact O-N 3.16Å; E515-K593 HydrophobicContact CG-CD 4.2Å; E515-R596 IonicContact OE1-CZ 3.07Å; E515-R596 IonicContact OE1-NH1 2.79Å; E515-R596 PolarHBondContact OE1-NH1 3.49Å; E515-R596 IonicContact OE1-NH2 2.76Å; E515-R596 PolarHBondContact OE1-NH2 3Å; E515-R596 IonicContact OE2-CZ 3.82Å; E515-R596 IonicContact OE2-NH1 3.85Å; E515-R596 IonicContact OE2-NH2 3.87Å; E515-R596 PolarHBondContact OE2-NH2 2.9Å
516	V	92.5	Very high	86.2	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.024	24%	0.239	C	C	.	.	H	α-helix	trans	-73.3	-34.8	174.2	-174.5	0	0	0	0	110.5	M512 A513 R518 M519 P524 F525	M512-V516 HydrophobicContact CE-CB 4.33Å; M512-V516 HydrophobicContact CE-CG1 3.52Å; A513-V516 HydrophobicContact CB-CG2 4.1Å; A513-V516 WeakPolarHBondContact O-CA 3.47Å; A513-V516 WeakPolarHBondContact O-CB 3.44Å; A513-V516 PolarHBondContact O-N 3.12Å; V516-R518 VanDerWaalsContact C-N 3.34Å; V516-M519 HydrophobicContact CG1-SD 4.44Å; V516-M519 WeakPolarHBondContact O-CG 3.28Å; V516-P524 HydrophobicContact CG2-CB 4.36Å; V516-F525 HydrophobicContact CG1-CD1 4.1Å; V516-F525 HydrophobicContact CG1-CE1 3.45Å; V516-F525 VanDerWaalsContact CG1-CE1 3.45Å; V516-F525 HydrophobicContact CG1-CE2 4.22Å; V516-F525 HydrophobicContact CG1-CZ 3.52Å; V516-F525 HydrophobicContact CG2-CD1 4.2Å; V516-F525 HydrophobicContact CG2-CE1 4.33Å
517	I	91.7	Very high	88.3	Confident	20 Å²	20	44.8 Å²	44.8	10%	0.103	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-40.6	173.3	-70.3	173.6	0	0	0	111.2	M512 A513 P514 I558 V561	M512-I517 HydrophobicContact CB-CD1 4.12Å; M512-I517 HydrophobicContact CB-CG1 3.69Å; M512-I517 HydrophobicContact CE-CG1 4.49Å; A513-I517 PolarHBondContact O-N 2.99Å; P514-I517 PolarHBondContact O-N 2.87Å; I517-I558 HydrophobicContact CG2-CG2 3.7Å; I517-I558 WeakPolarHBondContact CG2-O 3.47Å; I517-V561 HydrophobicContact CD1-CB 3.84Å; I517-V561 HydrophobicContact CD1-CG1 3.62Å
518	R	90.7	Very high	90.2	Very high	103 Å²	103	45.9 Å²	45.9	39%	0.389	23%	0.229	S	C	.	.	H	α-helix	trans	-72.3	-30.5	-178.6	-73	-169.5	-57.8	-81.1	-3.1	113.6	P514 E515 V516 Q520 G562	P514-R518 WeakPolarHBondContact O-CG 3.45Å; P514-R518 PolarHBondContact O-N 2.91Å; P514-R518 PolarHBondContact O-NH1 3.44Å; E515-R518 PolarHBondContact O-N 2.71Å; V516-R518 VanDerWaalsContact C-N 3.34Å; R518-Q520 HydrophobicContact CB-CG 4.07Å; R518-Q520 PolarHBondContact O-N 2.91Å; R518-Q520 VanDerWaalsContact O-N 3.15Å; R518-G562 VanDerWaalsContact CD-O 3.3Å; R518-G562 WeakPolarHBondContact CD-O 3.45Å; R518-G562 WeakPolarHBondContact CG-O 3.09Å; R518-G562 PolarHBondContact NH1-O 2.83Å
519	M	86	Confident	91	Very high	59 Å²	59	44.2 Å²	44.2	29%	0.291	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	37.5	-176.5	-61.2	-66.3	-63.4	0	0	113.4	E503 P505 E515 V516 P524	E503-M519 HydrophobicContact CB-CE 4.09Å; E503-M519 WeakPolarHBondContact O-CE 3.35Å; P505-M519 HydrophobicContact CG-CG 3.64Å; P505-M519 HydrophobicContact CG-SD 4.26Å; E515-M519 PolarHBondContact O-N 3.17Å; E515-M519 VanDerWaalsContact O-N 3.16Å; V516-M519 HydrophobicContact CG1-SD 4.44Å; V516-M519 WeakPolarHBondContact O-CG 3.28Å; M519-P524 HydrophobicContact CE-CG 3.95Å; M519-P524 HydrophobicContact SD-CG 3.52Å; M519-P524 VanDerWaalsContact SD-CG 3.52Å
520	Q	87.4	Confident	91.4	Very high	149 Å²	149	43.6 Å²	43.6	70%	0.696	21%	0.214	S	C	*	.			trans	-88.9	-29.8	-178.2	-76.5	173.6	-24.4	0	0	113.1	R518	R518-Q520 HydrophobicContact CB-CG 4.07Å; R518-Q520 PolarHBondContact O-N 2.91Å; R518-Q520 VanDerWaalsContact O-N 3.15Å
521	D	84.2	Confident	91.6	Very high	75 Å²	75	42 Å²	42	40%	0.401	21%	0.206	S	C	.	.	S	Bend	trans	-83.1	147.8	175.4	-62.5	-12.9	0	0	0	109.2	N523 P524 K593	D521-N523 PolarHBondContact O-N 3.44Å; D521-P524 WeakPolarHBondContact O-CD 3.47Å; D521-K593 IonicContact OD2-NZ 2.79Å; D521-K593 PolarHBondContact OD2-NZ 3.44Å
522	D	79.8	Confident	91.7	Very high	178 Å²	178	41.6 Å²	41.6	95%	0.952	20%	0.204	S	C	*	.	S	Bend	trans	-56.7	-33.6	178.2	-68.9	-29.7	0	0	0	112.9
523	N	83.4	Confident	91.9	Very high	83 Å²	83	41 Å²	41	44%	0.444	20%	0.202	S	C	.	.			trans	-136.3	89.9	173.3	178.5	46	0	0	0	109.5	D521 F525	D521-N523 PolarHBondContact O-N 3.44Å; N523-F525 PolarHBondContact ND2-O 3.49Å; N523-F525 PolarHBondContact O-N 2.96Å; N523-F525 PolarHBondContact OD1-O 2.95Å
524	P	88.8	Confident	92.1	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	20%	0.202	C	C	.	.			trans	-75.4	-15.5	-178.3	30.7	-32.4	0	0	0	112.3	V516 M519 D521	V516-P524 HydrophobicContact CG2-CB 4.36Å; M519-P524 HydrophobicContact CE-CG 3.95Å; M519-P524 HydrophobicContact SD-CG 3.52Å; M519-P524 VanDerWaalsContact SD-CG 3.52Å; D521-P524 WeakPolarHBondContact O-CD 3.47Å
525	F	89.9	Confident	92.2	Very high	30 Å²	30	40.8 Å²	40.8	13%	0.132	20%	0.201	C	C	.	.			trans	-79.5	123.9	176.5	-64.8	-79.9	0	0	0	111.5	R467 E503 V516 N523	R467-F525 HydrophobicContact CB-CD1 3.78Å; R467-F525 HydrophobicContact CB-CE1 4.02Å; R467-F525 HydrophobicContact CB-CG 4.4Å; R467-F525 HydrophobicContact CG-CB 4.04Å; R467-F525 HydrophobicContact CG-CD1 3.83Å; R467-F525 HydrophobicContact CG-CG 4.01Å; E503-F525 WeakPolarHBondContact OE2-CD2 3.45Å; E503-F525 VanDerWaalsContact OE2-CE2 3.31Å; E503-F525 WeakPolarHBondContact OE2-CE2 3.36Å; V516-F525 HydrophobicContact CG1-CD1 4.1Å; V516-F525 HydrophobicContact CG1-CE1 3.45Å; V516-F525 VanDerWaalsContact CG1-CE1 3.45Å; V516-F525 HydrophobicContact CG1-CE2 4.22Å; V516-F525 HydrophobicContact CG1-CZ 3.52Å; V516-F525 HydrophobicContact CG2-CD1 4.2Å; V516-F525 HydrophobicContact CG2-CE1 4.33Å; N523-F525 PolarHBondContact ND2-O 3.49Å; N523-F525 PolarHBondContact O-N 2.96Å; N523-F525 PolarHBondContact OD1-O 2.95Å
526	S	93.1	Very high	92.4	Very high	22 Å²	22	40.5 Å²	40.5	15%	0.154	20%	0.2	C	C	.	.			trans	-144.5	176.3	-178.7	70.5	0	0	0	0	111.1	Q528 S529 D530	S526-Q528 PolarHBondContact O-N 3.49Å; S526-Q528 PolarHBondContact OG-N 2.86Å; S526-Q528 PolarHBondContact OG-OE1 3.43Å; S526-S529 PolarHBondContact N-OG 3.05Å; S526-S529 PolarHBondContact O-N 2.97Å; S526-S529 PolarHBondContact O-OG 2.91Å; S526-S529 PolarHBondContact OG-N 3.02Å; S526-D530 PolarHBondContact O-N 3.32Å
527	F	95.9	Very high	92.7	Very high	57 Å²	57	40.3 Å²	40.3	25%	0.25	20%	0.199	C	C	.	.	H	α-helix	trans	-56.7	-37.1	168.5	-61.2	-28.9	0	0	0	111.4	H460 I465 S529 D530 V531 L598	H460-F527 HydrophobicContact CB-CD1 4.23Å; H460-F527 HydrophobicContact CB-CE1 4.32Å; H460-F527 AromaticContact CD2-CD1 3.69Å; H460-F527 VanDerWaalsContact CE1-CA 3.43Å; H460-F527 WeakPolarHBondContact CE1-CA 3.37Å; H460-F527 AromaticContact CE1-CD1 3.75Å; H460-F527 AromaticContact CE1-CG 3.92Å; H460-F527 PolarHBondContact CE1-O 2.84Å; H460-F527 AromaticContact CG-CD1 3.61Å; H460-F527 WeakPolarHBondContact ND1-CB 3.4Å; H460-F527 AromaticContact ND1-CD1 3.65Å; H460-F527 AromaticContact ND1-CG 3.64Å; H460-F527 AromaticContact NE2-CD1 3.76Å; I465-F527 HydrophobicContact CG1-CD1 3.79Å; I465-F527 HydrophobicContact CG1-CE1 3.77Å; F527-S529 PolarHBondContact O-N 3.15Å; F527-D530 PolarHBondContact O-N 3.44Å; F527-V531 WeakPolarHBondContact O-CG2 3.5Å; F527-V531 PolarHBondContact O-N 3.36Å; F527-L598 HydrophobicContact CB-CD2 4.05Å
528	Q	97	Very high	93	Very high	52 Å²	52	39.4 Å²	39.4	24%	0.243	19%	0.194	C	C	.	.	H	α-helix	trans	-71.1	-27.3	178.9	-63.7	86.3	-9.7	0	0	113.3	S526 V531 Y532 K593 R596 L598	S526-Q528 PolarHBondContact O-N 3.49Å; S526-Q528 PolarHBondContact OG-N 2.86Å; S526-Q528 PolarHBondContact OG-OE1 3.43Å; Q528-V531 PolarHBondContact O-N 3.19Å; Q528-Y532 PolarHBondContact O-N 3.39Å; Q528-K593 HydrophobicContact CB-CB 4.08Å; Q528-K593 WeakPolarHBondContact CG-O 3.36Å; Q528-R596 WeakPolarHBondContact O-CD 3.28Å; Q528-R596 PolarHBondContact O-NH1 3.25Å; Q528-L598 HydrophobicContact CG-CD2 4.27Å
529	S	95.3	Very high	93.4	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-70.2	-37.5	173.1	67.4	0	0	0	0	111.8	S526 F527 V531 Y532 S533	S526-S529 PolarHBondContact N-OG 3.05Å; S526-S529 PolarHBondContact O-N 2.97Å; S526-S529 PolarHBondContact O-OG 2.91Å; S526-S529 PolarHBondContact OG-N 3.02Å; F527-S529 PolarHBondContact O-N 3.15Å; S529-V531 VanDerWaalsContact C-N 3.34Å; S529-Y532 PolarHBondContact O-N 3.42Å; S529-S533 PolarHBondContact O-N 3.29Å; S529-S533 VanDerWaalsContact O-N 3.14Å; S529-S533 PolarHBondContact O-OG 2.89Å
530	D	96.6	Very high	93.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.9	-38.9	171.3	-77.6	-12.3	0	0	0	111.4	M456 H460 I465 H466 R467 S526 F527 Y532 S533 Y534 F599	M456-D530 HydrophobicContact CE-CB 3.78Å; H460-D530 IonicContact CD2-OD2 3.48Å; H460-D530 IonicContact CE1-OD2 2.95Å; H460-D530 IonicContact NE2-OD2 2.82Å; H460-D530 PolarHBondContact NE2-OD2 2.86Å; I465-D530 WeakPolarHBondContact CA-OD2 3.48Å; I465-D530 WeakPolarHBondContact CG2-OD2 3.4Å; H466-D530 PolarHBondContact N-OD1 2.93Å; H466-D530 PolarHBondContact N-OD2 3.05Å; R467-D530 PolarHBondContact N-OD1 3.22Å; S526-D530 PolarHBondContact O-N 3.32Å; F527-D530 PolarHBondContact O-N 3.44Å; D530-Y532 VanDerWaalsContact C-N 3.34Å; D530-Y532 PolarHBondContact O-N 2.82Å; D530-S533 WeakPolarHBondContact O-CB 3.3Å; D530-S533 PolarHBondContact O-N 2.96Å; D530-Y534 WeakPolarHBondContact O-CB 3.39Å; D530-Y534 PolarHBondContact O-N 2.98Å; D530-F599 HydrophobicContact CB-CE2 4.47Å
531	V	98.4	Very high	94.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.9	-41	175.7	168.3	0	0	0	0	111.7	F527 Q528 S529 S533 Y534 G535 C588 R596 P597 F599 I602	F527-V531 WeakPolarHBondContact O-CG2 3.5Å; F527-V531 PolarHBondContact O-N 3.36Å; Q528-V531 PolarHBondContact O-N 3.19Å; S529-V531 VanDerWaalsContact C-N 3.34Å; V531-S533 VanDerWaalsContact C-N 3.35Å; V531-Y534 PolarHBondContact O-N 3.31Å; V531-G535 PolarHBondContact O-N 3.05Å; V531-C588 HydrophobicContact CG1-CB 4.04Å; V531-R596 HydrophobicContact CG1-CB 4Å; V531-P597 WeakPolarHBondContact CG1-O 3.36Å; V531-P597 WeakPolarHBondContact CG2-O 3.28Å; V531-F599 HydrophobicContact CG2-CD2 3.99Å; V531-F599 HydrophobicContact CG2-CE2 3.7Å; V531-F599 HydrophobicContact CG2-CZ 4.28Å; V531-I602 HydrophobicContact CB-CD1 4.48Å; V531-I602 HydrophobicContact CG1-CD1 3.8Å; V531-I602 HydrophobicContact CG2-CD1 3.99Å
532	Y	98.1	Very high	95	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.016	11%	0.11	C	C	.	.	H	α-helix	trans	-60.7	-47.4	174.3	-178.4	-83.2	0	0	0	111.2	W511 M512 A513 P514 Q528 S529 D530 Y534 G535 I536 Y548 C588 V589	W511-Y532 WeakPolarHBondContact O-CD1 2.97Å; M512-Y532 VanDerWaalsContact O-CE1 3.22Å; M512-Y532 WeakPolarHBondContact O-CE1 3.36Å; A513-Y532 VanDerWaalsContact CA-CD1 3.41Å; A513-Y532 HydrophobicContact CB-CD1 3.84Å; A513-Y532 HydrophobicContact CB-CD2 4.32Å; A513-Y532 HydrophobicContact CB-CG 3.69Å; P514-Y532 HydrophobicContact CG-CE2 4.25Å; Q528-Y532 PolarHBondContact O-N 3.39Å; S529-Y532 PolarHBondContact O-N 3.42Å; D530-Y532 VanDerWaalsContact C-N 3.34Å; D530-Y532 PolarHBondContact O-N 2.82Å; Y532-Y534 VanDerWaalsContact C-N 3.28Å; Y532-Y534 PolarHBondContact O-N 2.95Å; Y532-G535 WeakPolarHBondContact O-CA 3.48Å; Y532-G535 PolarHBondContact O-N 2.92Å; Y532-I536 HydrophobicContact CD1-CG1 4.17Å; Y532-I536 HydrophobicContact CE1-CD1 4.07Å; Y532-I536 HydrophobicContact CE1-CG1 3.8Å; Y532-I536 PolarHBondContact O-N 3.45Å; Y532-Y548 PolarHBondContact OH-OH 3.06Å; Y532-C588 WeakPolarHBondContact CA-O 3.39Å; Y532-V589 HydrophobicContact CD2-CB 4.37Å; Y532-V589 HydrophobicContact CE2-CB 4.09Å
533	S	97.2	Very high	95.7	Very high	11 Å²	11	13.2 Å²	13.2	8%	0.077	7%	0.069	C	C	.	.	H	α-helix	trans	-58.6	-42	177.8	-52.7	0	0	0	0	111.3	M469 W511 S529 D530 V531 I536 V537	M469-S533 WeakPolarHBondContact O-CB 3.44Å; W511-S533 WeakPolarHBondContact O-CA 3.26Å; W511-S533 PolarHBondContact O-OG 3.25Å; S529-S533 PolarHBondContact O-N 3.29Å; S529-S533 VanDerWaalsContact O-N 3.14Å; S529-S533 PolarHBondContact O-OG 2.89Å; D530-S533 WeakPolarHBondContact O-CB 3.3Å; D530-S533 PolarHBondContact O-N 2.96Å; V531-S533 VanDerWaalsContact C-N 3.35Å; S533-I536 WeakPolarHBondContact O-CB 3.38Å; S533-I536 PolarHBondContact O-N 3.31Å; S533-V537 PolarHBondContact O-N 2.93Å; S533-V537 VanDerWaalsContact O-N 3.1Å
534	Y	98.5	Very high	96.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-64.5	-37.3	172	175.5	-101.9	0	0	0	112.8	A449 T452 A453 M469 D530 V531 Y532 I536 V537 L538 F599 I602 I606	A449-Y534 PolarHBondContact O-OH 2.69Å; T452-Y534 HydrophobicContact CG2-CD2 3.84Å; T452-Y534 HydrophobicContact CG2-CE2 3.68Å; A453-Y534 HydrophobicContact CB-CE2 4.39Å; M469-Y534 HydrophobicContact CE-CD2 4.19Å; D530-Y534 WeakPolarHBondContact O-CB 3.39Å; D530-Y534 PolarHBondContact O-N 2.98Å; V531-Y534 PolarHBondContact O-N 3.31Å; Y532-Y534 VanDerWaalsContact C-N 3.28Å; Y532-Y534 PolarHBondContact O-N 2.95Å; Y534-I536 VanDerWaalsContact C-N 3.26Å; Y534-I536 PolarHBondContact O-N 3.41Å; Y534-V537 CarbonylContact O-C 3.57Å; Y534-V537 WeakPolarHBondContact O-CA 3.39Å; Y534-V537 WeakPolarHBondContact O-CB 3.43Å; Y534-V537 PolarHBondContact O-N 3.09Å; Y534-L538 HydrophobicContact CD1-CD1 4.11Å; Y534-L538 HydrophobicContact CD1-CG 4.15Å; Y534-L538 HydrophobicContact CE1-CD1 3.55Å; Y534-L538 HydrophobicContact CE1-CD2 3.98Å; Y534-L538 HydrophobicContact CE1-CG 3.67Å; Y534-L538 HydrophobicContact CE2-CD2 4.33Å; Y534-L538 HydrophobicContact CE2-CG 4.49Å; Y534-L538 PolarHBondContact O-N 3.12Å; Y534-L538 WeakPolarHBondContact OH-CD2 3.42Å; Y534-F599 AromaticContact CD1-CE1 3.83Å; Y534-F599 HydrophobicContact CD1-CE1 3.83Å; Y534-F599 HydrophobicContact CD1-CZ 4.29Å; Y534-F599 HydrophobicContact CD2-CE1 4.03Å; Y534-F599 HydrophobicContact CD2-CZ 4.43Å; Y534-F599 HydrophobicContact CE1-CE1 4.24Å; Y534-F599 HydrophobicContact CE2-CE1 4.42Å; Y534-F599 AromaticContact CG-CE1 3.71Å; Y534-F599 HydrophobicContact CG-CE1 3.71Å; Y534-F599 AromaticContact CG-CZ 3.92Å; Y534-F599 HydrophobicContact CG-CZ 3.92Å; Y534-I602 HydrophobicContact CD1-CD1 4.37Å; Y534-I602 HydrophobicContact CD1-CG2 4.35Å; Y534-I602 HydrophobicContact CE1-CG2 3.57Å; Y534-I606 WeakPolarHBondContact OH-CD1 3.49Å
535	G	98.3	Very high	96.5	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-59.1	-35.8	172.2	0	0	0	0	0	113	V531 Y532 L538 Y539	V531-G535 PolarHBondContact O-N 3.05Å; Y532-G535 WeakPolarHBondContact O-CA 3.48Å; Y532-G535 PolarHBondContact O-N 2.92Å; G535-L538 PolarHBondContact O-N 2.75Å; G535-Y539 PolarHBondContact O-N 3.09Å
536	I	98.1	Very high	96.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-69.4	-39.4	171.5	-58.3	-59.4	0	0	0	111.4	W511 Y532 S533 Y534 L538 Y539 E540 P547 P568 V589	W511-I536 HydrophobicContact CD2-CG2 4.4Å; W511-I536 HydrophobicContact CG-CB 4.32Å; W511-I536 HydrophobicContact CG-CG2 4.01Å; Y532-I536 HydrophobicContact CD1-CG1 4.17Å; Y532-I536 HydrophobicContact CE1-CD1 4.07Å; Y532-I536 HydrophobicContact CE1-CG1 3.8Å; Y532-I536 PolarHBondContact O-N 3.45Å; S533-I536 WeakPolarHBondContact O-CB 3.38Å; S533-I536 PolarHBondContact O-N 3.31Å; Y534-I536 VanDerWaalsContact C-N 3.26Å; Y534-I536 PolarHBondContact O-N 3.41Å; I536-L538 VanDerWaalsContact C-N 3.31Å; I536-L538 PolarHBondContact O-N 3.26Å; I536-Y539 WeakPolarHBondContact O-CA 3.32Å; I536-Y539 VanDerWaalsContact O-CB 3.26Å; I536-Y539 WeakPolarHBondContact O-CB 3.45Å; I536-Y539 PolarHBondContact O-N 3.34Å; I536-Y539 VanDerWaalsContact O-N 3.1Å; I536-E540 WeakPolarHBondContact O-CG 3.48Å; I536-E540 PolarHBondContact O-N 3.23Å; I536-P547 HydrophobicContact CG2-CG 3.88Å; I536-P568 HydrophobicContact CD1-CG 3.4Å; I536-P568 VanDerWaalsContact CD1-CG 3.4Å; I536-V589 HydrophobicContact CD1-CG1 4.05Å
537	V	98.3	Very high	96.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62	-39.5	172.4	174.4	0	0	0	0	111.7	L429 I474 S533 Y534 Y539 E540 L541	L429-V537 HydrophobicContact CD2-CG1 3.97Å; I474-V537 HydrophobicContact CD1-CB 4.48Å; I474-V537 HydrophobicContact CD1-CG1 3.68Å; I474-V537 HydrophobicContact CD1-CG2 4.05Å; S533-V537 PolarHBondContact O-N 2.93Å; S533-V537 VanDerWaalsContact O-N 3.1Å; Y534-V537 CarbonylContact O-C 3.57Å; Y534-V537 WeakPolarHBondContact O-CA 3.39Å; Y534-V537 WeakPolarHBondContact O-CB 3.43Å; Y534-V537 PolarHBondContact O-N 3.09Å; V537-Y539 VanDerWaalsContact C-N 3.3Å; V537-Y539 PolarHBondContact O-N 3.36Å; V537-E540 WeakPolarHBondContact CA-OE2 3.33Å; V537-E540 PolarHBondContact O-N 2.91Å; V537-L541 HydrophobicContact CG1-CD1 4.26Å; V537-L541 WeakPolarHBondContact O-CG 3.09Å; V537-L541 PolarHBondContact O-N 3.16Å
538	L	98.3	Very high	96.5	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.6	-38.9	172.7	-69.8	-177	0	0	0	111.8	A449 Y534 G535 I536 L541 M542 M581 L584 V585	A449-L538 HydrophobicContact CB-CD2 3.56Å; Y534-L538 HydrophobicContact CD1-CD1 4.11Å; Y534-L538 HydrophobicContact CD1-CG 4.15Å; Y534-L538 HydrophobicContact CE1-CD1 3.55Å; Y534-L538 HydrophobicContact CE1-CD2 3.98Å; Y534-L538 HydrophobicContact CE1-CG 3.67Å; Y534-L538 HydrophobicContact CE2-CD2 4.33Å; Y534-L538 HydrophobicContact CE2-CG 4.49Å; Y534-L538 PolarHBondContact O-N 3.12Å; Y534-L538 WeakPolarHBondContact OH-CD2 3.42Å; G535-L538 PolarHBondContact O-N 2.75Å; I536-L538 VanDerWaalsContact C-N 3.31Å; I536-L538 PolarHBondContact O-N 3.26Å; L538-L541 HydrophobicContact CD2-CD1 4.5Å; L538-L541 PolarHBondContact O-N 3.22Å; L538-M542 VanDerWaalsContact O-CB 3.32Å; L538-M542 WeakPolarHBondContact O-CB 3.49Å; L538-M542 WeakPolarHBondContact O-CG 3.34Å; L538-M542 PolarHBondContact O-N 3.24Å; L538-M581 HydrophobicContact CD1-SD 4.4Å; L538-M581 HydrophobicContact CD2-SD 4.22Å; L538-L584 HydrophobicContact CD1-CD2 4.25Å; L538-L584 HydrophobicContact CD1-CG 4.14Å; L538-V585 HydrophobicContact CB-CG2 3.77Å; L538-V585 HydrophobicContact CD1-CG2 4.3Å
539	Y	97.9	Very high	96.1	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.008	7%	0.07	C	C	.	.	H	α-helix	trans	-59.5	-49.2	173.3	-179	-87.5	0	0	0	111	G535 I536 V537 L541 M542 A543 E545 P547 P568 D569 L570 L573	G535-Y539 PolarHBondContact O-N 3.09Å; I536-Y539 WeakPolarHBondContact O-CA 3.32Å; I536-Y539 VanDerWaalsContact O-CB 3.26Å; I536-Y539 WeakPolarHBondContact O-CB 3.45Å; I536-Y539 PolarHBondContact O-N 3.34Å; I536-Y539 VanDerWaalsContact O-N 3.1Å; V537-Y539 VanDerWaalsContact C-N 3.3Å; V537-Y539 PolarHBondContact O-N 3.36Å; Y539-L541 VanDerWaalsContact C-N 3.33Å; Y539-L541 PolarHBondContact O-N 2.78Å; Y539-M542 CarbonylContact O-C 3.52Å; Y539-M542 PolarHBondContact O-N 2.85Å; Y539-M542 VanDerWaalsContact O-N 3.15Å; Y539-A543 HydrophobicContact CD1-CB 4.25Å; Y539-A543 HydrophobicContact CE1-CB 3.96Å; Y539-A543 WeakPolarHBondContact O-CB 3.41Å; Y539-A543 PolarHBondContact O-N 2.81Å; Y539-E545 PolarHBondContact OH-OE1 3.47Å; Y539-P547 HydrophobicContact CD1-CB 4.08Å; Y539-P547 HydrophobicContact CE1-CB 3.93Å; Y539-P568 HydrophobicContact CD2-CB 3.67Å; Y539-P568 HydrophobicContact CE2-CB 3.79Å; Y539-P568 HydrophobicContact CG-CB 4.18Å; Y539-D569 VanDerWaalsContact CE2-O 3.31Å; Y539-D569 WeakPolarHBondContact CE2-O 3.43Å; Y539-D569 PolarHBondContact OH-O 3.28Å; Y539-L570 HydrophobicContact CD2-CD2 4.29Å; Y539-L573 HydrophobicContact CD2-CD2 3.79Å; Y539-L573 HydrophobicContact CE2-CD2 4.01Å; Y539-L573 HydrophobicContact CG-CD2 4.49Å
540	E	97.5	Very high	95.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57	-45.9	177.1	-66.9	174.6	81.4	0	0	111.8	L433 H434 S471 W511 I536 V537 M542 G544 L546	L433-E540 HydrophobicContact CD1-CB 3.95Å; H434-E540 IonicContact CD2-OE1 2.84Å; H434-E540 IonicContact CE1-OE1 3.61Å; H434-E540 IonicContact NE2-OE1 2.9Å; H434-E540 PolarHBondContact NE2-OE1 3.2Å; S471-E540 VanDerWaalsContact CB-OE1 3.28Å; S471-E540 WeakPolarHBondContact CB-OE1 3.48Å; S471-E540 PolarHBondContact OG-OE1 3.11Å; S471-E540 PolarHBondContact OG-OE2 2.82Å; W511-E540 VanDerWaalsContact CE2-OE2 3.3Å; W511-E540 WeakPolarHBondContact CZ2-OE2 3.44Å; W511-E540 PolarHBondContact NE1-OE2 3.3Å; I536-E540 WeakPolarHBondContact O-CG 3.48Å; I536-E540 PolarHBondContact O-N 3.23Å; V537-E540 WeakPolarHBondContact CA-OE2 3.33Å; V537-E540 PolarHBondContact O-N 2.91Å; E540-M542 VanDerWaalsContact C-N 3.33Å; E540-M542 PolarHBondContact O-N 2.83Å; E540-G544 WeakPolarHBondContact O-CA 3.39Å; E540-G544 PolarHBondContact O-N 3.36Å; E540-L546 HydrophobicContact CG-CD2 4.2Å
541	L	97.5	Very high	95.3	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-62.6	-39	177.8	-73.1	168.9	0	0	0	112.3	L429 L433 L445 I448 A449 V537 L538 Y539	L429-L541 HydrophobicContact CD1-CD2 3.92Å; L429-L541 HydrophobicContact CD2-CD2 4.03Å; L429-L541 HydrophobicContact CD2-CG 4.36Å; L429-L541 HydrophobicContact CG-CD2 4.5Å; L433-L541 HydrophobicContact CD1-CD2 4.21Å; L445-L541 WeakPolarHBondContact CD1-O 3.43Å; L445-L541 HydrophobicContact CD2-CB 4.38Å; L445-L541 HydrophobicContact CD2-CD2 3.72Å; I448-L541 HydrophobicContact CB-CD2 4.47Å; I448-L541 HydrophobicContact CG2-CD1 4.27Å; I448-L541 HydrophobicContact CG2-CD2 4.02Å; A449-L541 HydrophobicContact CB-CD1 3.94Å; V537-L541 HydrophobicContact CG1-CD1 4.26Å; V537-L541 WeakPolarHBondContact O-CG 3.09Å; V537-L541 PolarHBondContact O-N 3.16Å; L538-L541 HydrophobicContact CD2-CD1 4.5Å; L538-L541 PolarHBondContact O-N 3.22Å; Y539-L541 VanDerWaalsContact C-N 3.33Å; Y539-L541 PolarHBondContact O-N 2.78Å
542	M	96.8	Very high	94.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-92.4	-12.4	-173.5	-64.1	-61.8	115.4	0	0	114	M442 L445 L538 Y539 E540 L573 Y574 C577 M581	M442-M542 HydrophobicContact CE-SD 4.39Å; M442-M542 HydrophobicContact SD-CE 4.14Å; M442-M542 HydrophobicContact SD-SD 3.83Å; L445-M542 HydrophobicContact CB-CE 3.66Å; L445-M542 HydrophobicContact CD1-CE 4.44Å; L538-M542 VanDerWaalsContact O-CB 3.32Å; L538-M542 WeakPolarHBondContact O-CB 3.49Å; L538-M542 WeakPolarHBondContact O-CG 3.34Å; L538-M542 PolarHBondContact O-N 3.24Å; Y539-M542 CarbonylContact O-C 3.52Å; Y539-M542 PolarHBondContact O-N 2.85Å; Y539-M542 VanDerWaalsContact O-N 3.15Å; E540-M542 VanDerWaalsContact C-N 3.33Å; E540-M542 PolarHBondContact O-N 2.83Å; M542-L573 HydrophobicContact CB-CB 4.48Å; M542-L573 HydrophobicContact CB-CD1 4.37Å; M542-L573 HydrophobicContact CB-CD2 3.83Å; M542-L573 HydrophobicContact CB-CG 4.44Å; M542-L573 CarbonylContact O-C 3.49Å; M542-L573 VanDerWaalsContact O-CA 3.31Å; M542-L573 WeakPolarHBondContact O-CA 3.22Å; M542-Y574 WeakPolarHBondContact O-CD2 3.42Å; M542-Y574 PolarHBondContact O-N 3.24Å; M542-C577 VanDerWaalsContact SD-SG 3.62Å; M542-M581 HydrophobicContact CE-CG 4.46Å; M542-M581 HydrophobicContact CG-CG 3.81Å; M542-M581 HydrophobicContact SD-CG 3.62Å
543	A	95.2	Very high	94.3	Very high	12 Å²	12	28.7 Å²	28.7	10%	0.099	16%	0.163	C	C	.	.	H	α-helix	trans	-112.2	-25.4	178	0	0	0	0	0	112.9	Y539 E545 L573	Y539-A543 HydrophobicContact CD1-CB 4.25Å; Y539-A543 HydrophobicContact CE1-CB 3.96Å; Y539-A543 WeakPolarHBondContact O-CB 3.41Å; Y539-A543 PolarHBondContact O-N 2.81Å; A543-E545 HydrophobicContact CB-CG 3.83Å; A543-E545 PolarHBondContact O-N 2.95Å; A543-L573 HydrophobicContact CB-CD2 3.99Å
544	G	94.3	Very high	93.8	Very high	25 Å²	25	34.6 Å²	34.6	26%	0.258	18%	0.183	S	C	.	.	S	Bend	trans	71.5	10.1	-172.1	0	0	0	0	0	114.2	E540 Y574	E540-G544 WeakPolarHBondContact O-CA 3.39Å; E540-G544 PolarHBondContact O-N 3.36Å; G544-Y574 WeakPolarHBondContact CA-OH 3.43Å
545	E	93.8	Very high	93.5	Very high	55 Å²	55	40 Å²	40	26%	0.257	21%	0.212	S	C	.	.	S	Bend	trans	-140.5	163.7	-178.4	57	163.3	-136.5	0	0	111.5	Y539 A543 R572	Y539-E545 PolarHBondContact OH-OE1 3.47Å; A543-E545 HydrophobicContact CB-CG 3.83Å; A543-E545 PolarHBondContact O-N 2.95Å; E545-R572 VanDerWaalsContact CD-NH1 3.31Å; E545-R572 WeakPolarHBondContact OE1-CD 3.4Å; E545-R572 IonicContact OE1-CZ 3.86Å; E545-R572 IonicContact OE1-NE 2.82Å; E545-R572 IonicContact OE1-NH1 3.67Å; E545-R572 PolarHBondContact OE1-NH1 2.96Å; E545-R572 IonicContact OE2-NH1 2.79Å; E545-R572 PolarHBondContact OE2-NH1 3.29Å
546	L	94.3	Very high	93.2	Very high	40 Å²	40	44.4 Å²	44.4	21%	0.209	23%	0.233	C	C	.	.			trans	-77.5	145.9	173.9	-68.4	173.4	0	0	0	111.1	Y430 L510 W511 E540	Y430-L546 HydrophobicContact CE2-CD1 4.19Å; Y430-L546 HydrophobicContact CE2-CD2 4.16Å; L510-L546 HydrophobicContact CD1-CB 4.15Å; L510-L546 HydrophobicContact CD1-CD1 4.06Å; L510-L546 HydrophobicContact CD1-CD2 4.19Å; L510-L546 HydrophobicContact CD1-CG 4.38Å; W511-L546 HydrophobicContact CH2-CD2 3.84Å; W511-L546 HydrophobicContact CZ2-CD2 3.92Å; E540-L546 HydrophobicContact CG-CD2 4.2Å
547	P	93	Very high	92.8	Very high	3 Å²	3	45 Å²	45	2%	0.019	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	155.7	176.4	32.1	-38.8	0	0	0	110.9	L510 I536 Y539 A549 P568	L510-P547 HydrophobicContact CB-CG 4.15Å; I536-P547 HydrophobicContact CG2-CG 3.88Å; Y539-P547 HydrophobicContact CD1-CB 4.08Å; Y539-P547 HydrophobicContact CE1-CB 3.93Å; P547-A549 PolarHBondContact O-N 3.35Å; P547-P568 HydrophobicContact CB-CB 4.21Å; P547-P568 HydrophobicContact CB-CG 4.39Å
548	Y	92.8	Very high	92.5	Very high	10 Å²	10	47.5 Å²	47.5	4%	0.039	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	25.2	176.5	-36.6	-64.8	0	0	0	114.6	L510 Y532 H550 I551 I557 V561 A566 P568	L510-Y548 HydrophobicContact CD2-CD2 3.94Å; Y532-Y548 PolarHBondContact OH-OH 3.06Å; Y548-H550 PolarHBondContact O-N 3.16Å; Y548-I551 PolarHBondContact O-N 3.02Å; Y548-I557 HydrophobicContact CD2-CG2 3.84Å; Y548-I557 HydrophobicContact CE2-CG2 4.22Å; Y548-I557 HydrophobicContact CG-CG2 4.37Å; Y548-V561 HydrophobicContact CE1-CG2 4.15Å; Y548-V561 HydrophobicContact CE2-CG2 3.97Å; Y548-A566 HydrophobicContact CD1-CB 4.43Å; Y548-A566 HydrophobicContact CE1-CB 4.04Å; Y548-P568 WeakPolarHBondContact OH-CD 3.17Å
549	A	87.5	Confident	92.3	Very high	57 Å²	57	52.8 Å²	52.8	47%	0.471	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-14.9	-179.6	0	0	0	0	0	115.4	P547	P547-A549 PolarHBondContact O-N 3.35Å
550	H	86.8	Confident	92.1	Very high	128 Å²	128	54.9 Å²	54.9	59%	0.593	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-6.2	174.8	61	-82.4	0	0	0	113.9	Y548	Y548-H550 PolarHBondContact O-N 3.16Å
551	I	89.2	Confident	91.9	Very high	17 Å²	17	55 Å²	55	9%	0.087	28%	0.283	C	S	.	.			trans	-111.8	108.7	-178.7	-51.3	-179.7	0	0	0	108.9	Y548 Q556 I557 M560	Y548-I551 PolarHBondContact O-N 3.02Å; I551-Q556 HydrophobicContact CG2-CB 4.06Å; I551-Q556 HydrophobicContact CG2-CG 3.99Å; I551-I557 HydrophobicContact CB-CD1 4.29Å; I551-I557 HydrophobicContact CB-CG1 3.92Å; I551-I557 HydrophobicContact CD1-CG1 4.41Å; I551-I557 HydrophobicContact CG2-CD1 4.36Å; I551-I557 HydrophobicContact CG2-CG1 3.65Å; I551-M560 HydrophobicContact CD1-CE 4.23Å; I551-M560 HydrophobicContact CD1-SD 3.86Å
552	N	85.1	Confident	91.7	Very high	161 Å²	161	55.2 Å²	55.2	86%	0.861	29%	0.285	S	S	*	.			trans	-85.5	-8.7	-176.2	-63.8	-11.6	0	0	0	113.6
553	N	89	Confident	91.5	Very high	81 Å²	81	62.7 Å²	62.7	43%	0.433	31%	0.313	S	S	.	.			trans	-104	117.5	-177.9	-174.3	-27.7	0	0	0	111.4	D555 Q556 I557	N553-D555 PolarHBondContact O-N 2.8Å; N553-D555 PolarHBondContact OD1-N 2.78Å; N553-Q556 HydrophobicContact CB-CB 3.83Å; N553-Q556 WeakPolarHBondContact O-CB 3.4Å; N553-Q556 PolarHBondContact O-N 3.01Å; N553-Q556 PolarHBondContact OD1-N 3.16Å; N553-I557 PolarHBondContact O-N 3.35Å; N553-I557 VanDerWaalsContact O-N 3.12Å
554	R	88	Confident	91.3	Very high	135 Å²	135	62.8 Å²	62.8	51%	0.509	32%	0.316	S	S	.	.	H	α-helix	trans	-57.9	-45.3	177.9	178.8	-177.6	169.7	164.6	3	112.8	G507 V509 Q556 I557 I558	G507-R554 PolarHBondContact O-NH2 3.03Å; V509-R554 HydrophobicContact CG2-CG 4.01Å; V509-R554 VanDerWaalsContact CG2-NE 3.26Å; R554-Q556 VanDerWaalsContact C-N 3.26Å; R554-Q556 PolarHBondContact O-N 2.96Å; R554-I557 WeakPolarHBondContact O-CB 3.24Å; R554-I557 PolarHBondContact O-N 2.84Å; R554-I557 VanDerWaalsContact O-N 3.16Å; R554-I558 HydrophobicContact CG-CD1 4.13Å; R554-I558 WeakPolarHBondContact O-CG1 3.46Å; R554-I558 PolarHBondContact O-N 2.83Å
555	D	90.7	Very high	91.1	Very high	113 Å²	113	68.9 Å²	68.9	60%	0.604	33%	0.332	S	S	*	.	H	α-helix	trans	-68.1	-31.6	-177.8	-65.2	-30	0	0	0	111.4	N553 I558 F559	N553-D555 PolarHBondContact O-N 2.8Å; N553-D555 PolarHBondContact OD1-N 2.78Å; D555-I558 PolarHBondContact O-N 2.74Å; D555-F559 WeakPolarHBondContact O-CB 3.46Å; D555-F559 PolarHBondContact O-N 2.95Å
556	Q	92.5	Very high	90.9	Very high	93 Å²	93	67 Å²	67	44%	0.435	33%	0.326	S	S	.	.	H	α-helix	trans	-64.7	-43.3	171.8	-172.5	177.5	11.9	0	0	111.3	I551 N553 R554 F559 M560	I551-Q556 HydrophobicContact CG2-CB 4.06Å; I551-Q556 HydrophobicContact CG2-CG 3.99Å; N553-Q556 HydrophobicContact CB-CB 3.83Å; N553-Q556 WeakPolarHBondContact O-CB 3.4Å; N553-Q556 PolarHBondContact O-N 3.01Å; N553-Q556 PolarHBondContact OD1-N 3.16Å; R554-Q556 VanDerWaalsContact C-N 3.26Å; R554-Q556 PolarHBondContact O-N 2.96Å; Q556-F559 PolarHBondContact O-N 2.84Å; Q556-M560 HydrophobicContact CG-CG 4.26Å; Q556-M560 HydrophobicContact CG-SD 3.69Å; Q556-M560 WeakPolarHBondContact O-CB 3.46Å; Q556-M560 WeakPolarHBondContact O-CG 3.43Å; Q556-M560 PolarHBondContact O-N 2.81Å
557	I	91.2	Very high	90.8	Very high	13 Å²	13	66.7 Å²	66.7	7%	0.067	33%	0.327	C	S	.	.	H	α-helix	trans	-61.1	-48.4	174.2	-62.9	172	0	0	0	110.4	V509 L510 Y548 I551 N553 R554 F559 M560 V561	V509-I557 HydrophobicContact CG1-CG2 4.06Å; L510-I557 HydrophobicContact CD2-CD1 3.99Å; L510-I557 HydrophobicContact CD2-CG2 4.44Å; Y548-I557 HydrophobicContact CD2-CG2 3.84Å; Y548-I557 HydrophobicContact CE2-CG2 4.22Å; Y548-I557 HydrophobicContact CG-CG2 4.37Å; I551-I557 HydrophobicContact CB-CD1 4.29Å; I551-I557 HydrophobicContact CB-CG1 3.92Å; I551-I557 HydrophobicContact CD1-CG1 4.41Å; I551-I557 HydrophobicContact CG2-CD1 4.36Å; I551-I557 HydrophobicContact CG2-CG1 3.65Å; N553-I557 PolarHBondContact O-N 3.35Å; N553-I557 VanDerWaalsContact O-N 3.12Å; R554-I557 WeakPolarHBondContact O-CB 3.24Å; R554-I557 PolarHBondContact O-N 2.84Å; R554-I557 VanDerWaalsContact O-N 3.16Å; I557-F559 VanDerWaalsContact C-N 3.32Å; I557-F559 PolarHBondContact O-N 3.25Å; I557-M560 PolarHBondContact O-N 3.21Å; I557-V561 HydrophobicContact CG2-CG2 3.95Å; I557-V561 WeakPolarHBondContact O-CB 3.46Å; I557-V561 VanDerWaalsContact O-CG2 3.29Å; I557-V561 WeakPolarHBondContact O-CG2 3.5Å; I557-V561 PolarHBondContact O-N 3.09Å
558	I	92.1	Very high	90.8	Very high	52 Å²	52	66.6 Å²	66.6	27%	0.267	33%	0.326	S	S	.	.	H	α-helix	trans	-53.6	-51.5	176.8	-68.4	173.7	0	0	0	110	V509 I517 R554 D555 G562	V509-I558 HydrophobicContact CB-CG1 4.4Å; V509-I558 HydrophobicContact CG1-CD1 4.44Å; V509-I558 HydrophobicContact CG1-CG1 3.51Å; V509-I558 HydrophobicContact CG2-CD1 3.93Å; V509-I558 HydrophobicContact CG2-CG1 3.91Å; I517-I558 HydrophobicContact CG2-CG2 3.7Å; I517-I558 WeakPolarHBondContact CG2-O 3.47Å; R554-I558 HydrophobicContact CG-CD1 4.13Å; R554-I558 WeakPolarHBondContact O-CG1 3.46Å; R554-I558 PolarHBondContact O-N 2.83Å; D555-I558 PolarHBondContact O-N 2.74Å; I558-G562 WeakPolarHBondContact O-CA 3.38Å; I558-G562 PolarHBondContact O-N 3.2Å
559	F	92.7	Very high	90.8	Very high	110 Å²	110	67 Å²	67	48%	0.482	33%	0.33	S	S	.	.	H	α-helix	trans	-62.5	-50.5	-179.2	179.6	-97.9	0	0	0	112.1	D555 Q556 I557 R563 Y565	D555-F559 WeakPolarHBondContact O-CB 3.46Å; D555-F559 PolarHBondContact O-N 2.95Å; Q556-F559 PolarHBondContact O-N 2.84Å; I557-F559 VanDerWaalsContact C-N 3.32Å; I557-F559 PolarHBondContact O-N 3.25Å; F559-R563 HydrophobicContact CD2-CG 4.28Å; F559-R563 HydrophobicContact CE1-CG 4.44Å; F559-R563 HydrophobicContact CE2-CG 4.02Å; F559-R563 HydrophobicContact CZ-CG 4.1Å; F559-R563 VanDerWaalsContact O-CB 3.29Å; F559-R563 WeakPolarHBondContact O-CB 3.42Å; F559-R563 VanDerWaalsContact O-CG 3.28Å; F559-R563 WeakPolarHBondContact O-CG 3.44Å; F559-R563 PolarHBondContact O-N 3.08Å; F559-Y565 HydrophobicContact CE1-CD2 4.26Å; F559-Y565 HydrophobicContact CE1-CE2 4.08Å; F559-Y565 HydrophobicContact CZ-CE2 4.43Å
560	M	94	Very high	91	Very high	47 Å²	47	64.6 Å²	64.6	23%	0.232	31%	0.308	C	S	.	.	H	α-helix	trans	-67.2	-42.2	-176	-69.4	177.5	71.9	0	0	112.3	I551 Q556 I557 G564 Y565 A566	I551-M560 HydrophobicContact CD1-CE 4.23Å; I551-M560 HydrophobicContact CD1-SD 3.86Å; Q556-M560 HydrophobicContact CG-CG 4.26Å; Q556-M560 HydrophobicContact CG-SD 3.69Å; Q556-M560 WeakPolarHBondContact O-CB 3.46Å; Q556-M560 WeakPolarHBondContact O-CG 3.43Å; Q556-M560 PolarHBondContact O-N 2.81Å; I557-M560 PolarHBondContact O-N 3.21Å; M560-G564 CarbonylContact O-C 3.59Å; M560-G564 PolarHBondContact O-N 3.07Å; M560-G564 VanDerWaalsContact O-N 3.15Å; M560-Y565 WeakPolarHBondContact O-CA 3.48Å; M560-Y565 PolarHBondContact O-N 3.04Å; M560-A566 HydrophobicContact CB-CB 3.75Å; M560-A566 HydrophobicContact CE-CB 4.36Å; M560-A566 PolarHBondContact O-N 2.86Å; M560-A566 VanDerWaalsContact O-N 3.09Å
561	V	93.8	Very high	91.1	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.018	29%	0.289	C	S	.	.	H	α-helix	trans	-71.2	-45.3	177.7	179.3	0	0	0	0	110.3	P514 I517 Y548 I557 R563 G564 A566	P514-V561 HydrophobicContact CG-CG1 4.08Å; I517-V561 HydrophobicContact CD1-CB 3.84Å; I517-V561 HydrophobicContact CD1-CG1 3.62Å; Y548-V561 HydrophobicContact CE1-CG2 4.15Å; Y548-V561 HydrophobicContact CE2-CG2 3.97Å; I557-V561 HydrophobicContact CG2-CG2 3.95Å; I557-V561 WeakPolarHBondContact O-CB 3.46Å; I557-V561 VanDerWaalsContact O-CG2 3.29Å; I557-V561 WeakPolarHBondContact O-CG2 3.5Å; I557-V561 PolarHBondContact O-N 3.09Å; V561-R563 VanDerWaalsContact C-N 3.32Å; V561-R563 PolarHBondContact O-N 3.05Å; V561-G564 PolarHBondContact O-N 3.07Å; V561-A566 HydrophobicContact CG2-CB 3.96Å
562	G	92.8	Very high	91.3	Very high	5 Å²	5	63.6 Å²	63.6	5%	0.052	30%	0.303	C	S	.	.	H	α-helix	trans	-61	-37.5	179.6	0	0	0	0	0	113.4	R518 I558 G564	R518-G562 VanDerWaalsContact CD-O 3.3Å; R518-G562 WeakPolarHBondContact CD-O 3.45Å; R518-G562 WeakPolarHBondContact CG-O 3.09Å; R518-G562 PolarHBondContact NH1-O 2.83Å; I558-G562 WeakPolarHBondContact O-CA 3.38Å; I558-G562 PolarHBondContact O-N 3.2Å; G562-G564 VanDerWaalsContact C-N 3.32Å
563	R	93.2	Very high	91.6	Very high	156 Å²	156	56.6 Å²	56.6	59%	0.589	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-9.2	173.2	-67.5	-62.6	-172.8	106.3	-3.4	114.1	F559 V561 Y565	F559-R563 HydrophobicContact CD2-CG 4.28Å; F559-R563 HydrophobicContact CE1-CG 4.44Å; F559-R563 HydrophobicContact CE2-CG 4.02Å; F559-R563 HydrophobicContact CZ-CG 4.1Å; F559-R563 VanDerWaalsContact O-CB 3.29Å; F559-R563 WeakPolarHBondContact O-CB 3.42Å; F559-R563 VanDerWaalsContact O-CG 3.28Å; F559-R563 WeakPolarHBondContact O-CG 3.44Å; F559-R563 PolarHBondContact O-N 3.08Å; V561-R563 VanDerWaalsContact C-N 3.32Å; V561-R563 PolarHBondContact O-N 3.05Å; R563-Y565 HydrophobicContact CB-CD2 3.64Å; R563-Y565 HydrophobicContact CB-CE1 4.48Å; R563-Y565 HydrophobicContact CB-CE2 3.52Å; R563-Y565 HydrophobicContact CB-CG 4.18Å; R563-Y565 HydrophobicContact CG-CD2 4.42Å; R563-Y565 HydrophobicContact CG-CE2 4Å
564	G	89.6	Confident	91.8	Very high	15 Å²	15	57.6 Å²	57.6	16%	0.155	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	20.5	-177.6	0	0	0	0	0	114.2	M560 V561 G562 K591	M560-G564 CarbonylContact O-C 3.59Å; M560-G564 PolarHBondContact O-N 3.07Å; M560-G564 VanDerWaalsContact O-N 3.15Å; V561-G564 PolarHBondContact O-N 3.07Å; G562-G564 VanDerWaalsContact C-N 3.32Å; G564-K591 WeakPolarHBondContact O-CE 3.45Å; G564-K591 PolarHBondContact O-NZ 2.76Å
565	Y	90.9	Very high	91.9	Very high	153 Å²	153	61.5 Å²	61.5	60%	0.6	28%	0.284	S	S	*	.	S	Bend	trans	-80.2	-26.3	172.4	-57.6	-37.4	0	0	0	112.8	F559 M560 R563	F559-Y565 HydrophobicContact CE1-CD2 4.26Å; F559-Y565 HydrophobicContact CE1-CE2 4.08Å; F559-Y565 HydrophobicContact CZ-CE2 4.43Å; M560-Y565 WeakPolarHBondContact O-CA 3.48Å; M560-Y565 PolarHBondContact O-N 3.04Å; R563-Y565 HydrophobicContact CB-CD2 3.64Å; R563-Y565 HydrophobicContact CB-CE1 4.48Å; R563-Y565 HydrophobicContact CB-CE2 3.52Å; R563-Y565 HydrophobicContact CB-CG 4.18Å; R563-Y565 HydrophobicContact CG-CD2 4.42Å; R563-Y565 HydrophobicContact CG-CE2 4Å
566	A	90.1	Very high	91.7	Very high	14 Å²	14	61.3 Å²	61.3	12%	0.116	28%	0.283	C	S	.	.			trans	-109.6	150.8	177	0	0	0	0	0	112.6	Y548 M560 V561	Y548-A566 HydrophobicContact CD1-CB 4.43Å; Y548-A566 HydrophobicContact CE1-CB 4.04Å; M560-A566 HydrophobicContact CB-CB 3.75Å; M560-A566 HydrophobicContact CE-CB 4.36Å; M560-A566 PolarHBondContact O-N 2.86Å; M560-A566 VanDerWaalsContact O-N 3.09Å; V561-A566 HydrophobicContact CG2-CB 3.96Å
567	S	92.4	Very high	91.6	Very high	35 Å²	35	57.6 Å²	57.6	25%	0.245	27%	0.267	C	S	.	.			trans	-149.1	154.9	165.7	65.1	0	0	0	0	108.6	R191 D569	R191-S567 PolarHBondContact NH1-OG 2.91Å; R191-S567 PolarHBondContact NH2-OG 3.2Å; S567-D569 PolarHBondContact O-N 3.17Å
568	P	92.6	Very high	91.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.272	C	S	.	.			trans	-55.7	137.9	178.8	-24.2	34.3	0	0	0	111.3	R191 I536 Y539 P547 Y548 L570 V589	R191-P568 PolarHBondContact NH1-O 3.14Å; I536-P568 HydrophobicContact CD1-CG 3.4Å; I536-P568 VanDerWaalsContact CD1-CG 3.4Å; Y539-P568 HydrophobicContact CD2-CB 3.67Å; Y539-P568 HydrophobicContact CE2-CB 3.79Å; Y539-P568 HydrophobicContact CG-CB 4.18Å; P547-P568 HydrophobicContact CB-CB 4.21Å; P547-P568 HydrophobicContact CB-CG 4.39Å; Y548-P568 WeakPolarHBondContact OH-CD 3.17Å; P568-L570 PolarHBondContact O-N 3.14Å; P568-L570 VanDerWaalsContact O-N 3.16Å; P568-V589 HydrophobicContact CG-CB 4.46Å; P568-V589 HydrophobicContact CG-CG1 4.37Å; P568-V589 HydrophobicContact CG-CG2 4.48Å
569	D	91.5	Very high	91	Very high	20 Å²	20	60.3 Å²	60.3	11%	0.107	28%	0.279	C	S	.	.			trans	-82	97.5	-177.4	-178.1	14.7	0	0	0	112	L195 Y539 S567 S571 R572	L195-D569 HydrophobicContact CD1-CB 4.43Å; L195-D569 VanDerWaalsContact CD1-CG 3.47Å; L195-D569 WeakPolarHBondContact CD1-OD1 3.38Å; L195-D569 WeakPolarHBondContact CD1-OD2 3.46Å; Y539-D569 VanDerWaalsContact CE2-O 3.31Å; Y539-D569 WeakPolarHBondContact CE2-O 3.43Å; Y539-D569 PolarHBondContact OH-O 3.28Å; S567-D569 PolarHBondContact O-N 3.17Å; D569-S571 PolarHBondContact O-N 3.23Å; D569-S571 VanDerWaalsContact O-N 3.08Å; D569-S571 VanDerWaalsContact OD1-CB 3.24Å; D569-S571 WeakPolarHBondContact OD1-CB 3.28Å; D569-S571 PolarHBondContact OD1-N 3.26Å; D569-S571 PolarHBondContact OD1-OG 2.82Å; D569-S571 VanDerWaalsContact OD1-OG 3.09Å; D569-S571 PolarHBondContact OD2-OG 2.97Å; D569-R572 HydrophobicContact CB-CG 4.28Å; D569-R572 WeakPolarHBondContact O-CB 2.95Å; D569-R572 PolarHBondContact O-N 3.1Å; D569-R572 VanDerWaalsContact O-N 3.12Å
570	L	92.2	Very high	90.7	Very high	5 Å²	5	57.6 Å²	57.6	3%	0.026	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-4.2	178.7	-50.2	-179	0	0	0	114.3	Y539 P568 L573 K582 V585 A586	Y539-L570 HydrophobicContact CD2-CD2 4.29Å; P568-L570 PolarHBondContact O-N 3.14Å; P568-L570 VanDerWaalsContact O-N 3.16Å; L570-L573 HydrophobicContact CD2-CD1 4.47Å; L570-K582 WeakPolarHBondContact O-CE 3.45Å; L570-K582 PolarHBondContact O-NZ 3.24Å; L570-V585 HydrophobicContact CD2-CB 4.36Å; L570-V585 HydrophobicContact CD2-CG1 3.74Å; L570-A586 HydrophobicContact CD1-CB 3.53Å
571	S	90.1	Very high	90.6	Very high	28 Å²	28	55.4 Å²	55.4	20%	0.196	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-23.5	170.7	87.6	0	0	0	0	112.2	D569	D569-S571 PolarHBondContact O-N 3.23Å; D569-S571 VanDerWaalsContact O-N 3.08Å; D569-S571 VanDerWaalsContact OD1-CB 3.24Å; D569-S571 WeakPolarHBondContact OD1-CB 3.28Å; D569-S571 PolarHBondContact OD1-N 3.26Å; D569-S571 PolarHBondContact OD1-OG 2.82Å; D569-S571 VanDerWaalsContact OD1-OG 3.09Å; D569-S571 PolarHBondContact OD2-OG 2.97Å
572	R	92.1	Very high	90.5	Very high	97 Å²	97	56.2 Å²	56.2	37%	0.366	27%	0.27	S	S	.	.	S	Bend	trans	-84.7	-4.5	-177.3	-58.9	-163.7	169.4	-156.3	-9.4	115	E545 D569	E545-R572 VanDerWaalsContact CD-NH1 3.31Å; E545-R572 WeakPolarHBondContact OE1-CD 3.4Å; E545-R572 IonicContact OE1-CZ 3.86Å; E545-R572 IonicContact OE1-NE 2.82Å; E545-R572 IonicContact OE1-NH1 3.67Å; E545-R572 PolarHBondContact OE1-NH1 2.96Å; E545-R572 IonicContact OE2-NH1 2.79Å; E545-R572 PolarHBondContact OE2-NH1 3.29Å; D569-R572 HydrophobicContact CB-CG 4.28Å; D569-R572 WeakPolarHBondContact O-CB 2.95Å; D569-R572 PolarHBondContact O-N 3.1Å; D569-R572 VanDerWaalsContact O-N 3.12Å
573	L	93	Very high	90.4	Very high	14 Å²	14	58 Å²	58	7%	0.073	28%	0.275	C	S	.	.	S	Bend	trans	-64.2	149.7	174.6	-53.9	-172	0	0	0	110.4	Y539 M542 A543 L570 K582	Y539-L573 HydrophobicContact CD2-CD2 3.79Å; Y539-L573 HydrophobicContact CE2-CD2 4.01Å; Y539-L573 HydrophobicContact CG-CD2 4.49Å; M542-L573 HydrophobicContact CB-CB 4.48Å; M542-L573 HydrophobicContact CB-CD1 4.37Å; M542-L573 HydrophobicContact CB-CD2 3.83Å; M542-L573 HydrophobicContact CB-CG 4.44Å; M542-L573 CarbonylContact O-C 3.49Å; M542-L573 VanDerWaalsContact O-CA 3.31Å; M542-L573 WeakPolarHBondContact O-CA 3.22Å; A543-L573 HydrophobicContact CB-CD2 3.99Å; L570-L573 HydrophobicContact CD2-CD1 4.47Å; L573-K582 HydrophobicContact CD1-CB 4.15Å; L573-K582 HydrophobicContact CD1-CD 4.36Å; L573-K582 HydrophobicContact CD1-CG 3.89Å
574	Y	92.6	Very high	90.4	Very high	102 Å²	102	51 Å²	51	40%	0.4	25%	0.249	S	C	.	.			trans	-53.6	141.3	177.8	-62.1	-55	0	0	0	112.1	M442 L445 M542 G544 N576 C577	M442-Y574 HydrophobicContact CE-CD2 4.2Å; L445-Y574 HydrophobicContact CD1-CE2 4.2Å; M542-Y574 WeakPolarHBondContact O-CD2 3.42Å; M542-Y574 PolarHBondContact O-N 3.24Å; G544-Y574 WeakPolarHBondContact CA-OH 3.43Å; Y574-N576 WeakPolarHBondContact CB-OD1 3.37Å; Y574-N576 PolarHBondContact O-N 2.78Å; Y574-C577 WeakPolarHBondContact O-CB 3.41Å; Y574-C577 PolarHBondContact O-N 2.97Å
575	K	89.4	Confident	90.7	Very high	216 Å²	216	50.3 Å²	50.3	94%	0.939	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.9	-179.4	-64.6	-177.5	-179.6	179.1	0	113.3	C577	K575-C577 VanDerWaalsContact C-N 3.32Å
576	N	87.3	Confident	90.8	Very high	109 Å²	109	44 Å²	44	58%	0.583	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	4.2	176.4	67.1	-14	0	0	0	113.4	M442 Y574 P578	M442-N576 WeakPolarHBondContact CE-OD1 3.28Å; Y574-N576 WeakPolarHBondContact CB-OD1 3.37Å; Y574-N576 PolarHBondContact O-N 2.78Å; N576-P578 WeakPolarHBondContact O-CD 3.2Å
577	C	88.9	Confident	91	Very high	15 Å²	15	45.2 Å²	45.2	10%	0.101	23%	0.226	C	C	.	.	S	Bend	trans	-63.3	124.8	175.6	-177.9	0	0	0	0	110	M442 M542 Y574 K575 K579	M442-C577 HydrophobicContact CE-CB 4.39Å; M542-C577 VanDerWaalsContact SD-SG 3.62Å; Y574-C577 WeakPolarHBondContact O-CB 3.41Å; Y574-C577 PolarHBondContact O-N 2.97Å; K575-C577 VanDerWaalsContact C-N 3.32Å; C577-K579 PolarHBondContact O-N 3.06Å
578	P	88.5	Confident	91.2	Very high	24 Å²	24	43.6 Å²	43.6	16%	0.156	21%	0.214	C	C	.	.			trans	-59.1	137.2	178	-25	34.3	0	0	0	112.1	I446 N576 A580 M581 K582 L609 L613	I446-P578 HydrophobicContact CD1-CG 3.97Å; N576-P578 WeakPolarHBondContact O-CD 3.2Å; P578-A580 PolarHBondContact O-N 3.09Å; P578-A580 VanDerWaalsContact O-N 3.09Å; P578-M581 HydrophobicContact CB-CB 4.41Å; P578-M581 WeakPolarHBondContact O-CA 3.39Å; P578-M581 WeakPolarHBondContact O-CB 3.2Å; P578-M581 PolarHBondContact O-N 2.89Å; P578-K582 PolarHBondContact O-N 2.93Å; P578-L609 HydrophobicContact CB-CD1 3.43Å; P578-L609 VanDerWaalsContact CB-CD1 3.43Å; P578-L609 HydrophobicContact CB-CD2 4.1Å; P578-L609 HydrophobicContact CB-CG 4.36Å; P578-L609 HydrophobicContact CG-CD1 3.92Å; P578-L609 HydrophobicContact CG-CD2 4.21Å; P578-L613 HydrophobicContact CG-CD2 3.8Å
579	K	83.5	Confident	91.4	Very high	99 Å²	99	44.1 Å²	44.1	43%	0.43	22%	0.218	S	C	.	.	H	α-helix	trans	-54.2	-35.7	-178.9	-62.3	-168.5	-177.4	-167.7	0	113.2	D186 C577 K582 R583	D186-K579 IonicContact OD1-NZ 2.82Å; D186-K579 IonicContact OD2-NZ 2.88Å; D186-K579 PolarHBondContact OD2-NZ 2.85Å; C577-K579 PolarHBondContact O-N 3.06Å; K579-K582 PolarHBondContact O-N 3.34Å; K579-R583 PolarHBondContact O-N 2.87Å
580	A	86.5	Confident	91.6	Very high	53 Å²	53	46.2 Å²	46.2	44%	0.438	23%	0.226	S	C	.	.	H	α-helix	trans	-66.4	-37.1	176.4	0	0	0	0	0	112.6	P578 R583 L584 L609	P578-A580 PolarHBondContact O-N 3.09Å; P578-A580 VanDerWaalsContact O-N 3.09Å; A580-R583 PolarHBondContact O-N 2.83Å; A580-L584 WeakPolarHBondContact O-CB 3.13Å; A580-L584 PolarHBondContact O-N 2.87Å; A580-L609 HydrophobicContact CB-CD1 4.28Å
581	M	92.1	Very high	91.6	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-66.8	-46.1	173.9	-176	57.2	80.6	0	0	110.7	I446 A449 L538 M542 P578 R583 L584 V585 I606 L609	I446-M581 HydrophobicContact CG1-CE 4.05Å; A449-M581 HydrophobicContact CB-CE 4.38Å; L538-M581 HydrophobicContact CD1-SD 4.4Å; L538-M581 HydrophobicContact CD2-SD 4.22Å; M542-M581 HydrophobicContact CE-CG 4.46Å; M542-M581 HydrophobicContact CG-CG 3.81Å; M542-M581 HydrophobicContact SD-CG 3.62Å; P578-M581 HydrophobicContact CB-CB 4.41Å; P578-M581 WeakPolarHBondContact O-CA 3.39Å; P578-M581 WeakPolarHBondContact O-CB 3.2Å; P578-M581 PolarHBondContact O-N 2.89Å; M581-R583 VanDerWaalsContact C-N 3.29Å; M581-R583 PolarHBondContact O-N 3.3Å; M581-L584 WeakPolarHBondContact O-CA 3.41Å; M581-L584 WeakPolarHBondContact O-CB 3.19Å; M581-L584 PolarHBondContact O-N 3.42Å; M581-L584 HydrophobicContact SD-CD2 4.19Å; M581-V585 WeakPolarHBondContact O-CG2 3.38Å; M581-V585 PolarHBondContact O-N 3.47Å; M581-I606 HydrophobicContact CE-CG1 4.35Å; M581-L609 HydrophobicContact CB-CD2 3.81Å; M581-L609 HydrophobicContact CE-CD2 3.93Å
582	K	91.6	Very high	91.7	Very high	20 Å²	20	52.8 Å²	52.8	9%	0.087	26%	0.256	C	S	.	.	H	α-helix	trans	-55	-42.9	175.3	-179.1	166.4	-169.7	168	0	112.5	W187 L570 L573 P578 K579 A586	W187-K582 WeakPolarHBondContact O-CE 3.35Å; W187-K582 PolarHBondContact O-NZ 3.46Å; L570-K582 WeakPolarHBondContact O-CE 3.45Å; L570-K582 PolarHBondContact O-NZ 3.24Å; L573-K582 HydrophobicContact CD1-CB 4.15Å; L573-K582 HydrophobicContact CD1-CD 4.36Å; L573-K582 HydrophobicContact CD1-CG 3.89Å; P578-K582 PolarHBondContact O-N 2.93Å; K579-K582 PolarHBondContact O-N 3.34Å; K582-A586 PolarHBondContact O-N 3.41Å
583	R	89.5	Confident	91.8	Very high	41 Å²	41	50.6 Å²	50.6	16%	0.155	25%	0.249	C	C	.	.	H	α-helix	trans	-63.5	-44.7	173.7	178.4	178.7	-76.5	143	0.5	111.6	C168 K579 A580 M581 V585 A586 D587	C168-R583 PolarHBondContact O-NH1 2.8Å; C168-R583 PolarHBondContact SG-NH2 2.86Å; K579-R583 PolarHBondContact O-N 2.87Å; A580-R583 PolarHBondContact O-N 2.83Å; M581-R583 VanDerWaalsContact C-N 3.29Å; M581-R583 PolarHBondContact O-N 3.3Å; R583-V585 VanDerWaalsContact C-N 3.33Å; R583-V585 PolarHBondContact O-N 2.96Å; R583-A586 WeakPolarHBondContact O-CB 3.26Å; R583-A586 PolarHBondContact O-N 3.12Å; R583-A586 VanDerWaalsContact O-N 3.11Å; R583-D587 WeakPolarHBondContact CG-OD2 3.5Å; R583-D587 PolarHBondContact O-N 2.5Å
584	L	93.4	Very high	91.8	Very high	11 Å²	11	56 Å²	56	6%	0.058	28%	0.275	C	S	.	.	H	α-helix	trans	-59.8	-42.7	178.8	-177	62.6	0	0	0	112	L538 A580 M581 A586 D587 C588 I602 I606	L538-L584 HydrophobicContact CD1-CD2 4.25Å; L538-L584 HydrophobicContact CD1-CG 4.14Å; A580-L584 WeakPolarHBondContact O-CB 3.13Å; A580-L584 PolarHBondContact O-N 2.87Å; M581-L584 WeakPolarHBondContact O-CA 3.41Å; M581-L584 WeakPolarHBondContact O-CB 3.19Å; M581-L584 PolarHBondContact O-N 3.42Å; M581-L584 HydrophobicContact SD-CD2 4.19Å; L584-A586 VanDerWaalsContact C-N 3.32Å; L584-A586 PolarHBondContact O-N 3.47Å; L584-D587 PolarHBondContact O-N 2.8Å; L584-C588 PolarHBondContact O-N 2.86Å; L584-C588 PolarHBondContact O-SG 2.95Å; L584-I602 HydrophobicContact CD1-CB 4.48Å; L584-I602 HydrophobicContact CD1-CG1 4.21Å; L584-I602 HydrophobicContact CD1-CG2 4.35Å; L584-I602 HydrophobicContact CD2-CG2 4.23Å; L584-I606 HydrophobicContact CD2-CD1 3.9Å; L584-I606 HydrophobicContact CD2-CG1 3.4Å; L584-I606 VanDerWaalsContact CD2-CG1 3.4Å
585	V	96.2	Very high	91.8	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.7	-49.1	173.1	-176	0	0	0	0	110.2	L538 L570 M581 R583 D587 C588 V589	L538-V585 HydrophobicContact CB-CG2 3.77Å; L538-V585 HydrophobicContact CD1-CG2 4.3Å; L570-V585 HydrophobicContact CD2-CB 4.36Å; L570-V585 HydrophobicContact CD2-CG1 3.74Å; M581-V585 WeakPolarHBondContact O-CG2 3.38Å; M581-V585 PolarHBondContact O-N 3.47Å; R583-V585 VanDerWaalsContact C-N 3.33Å; R583-V585 PolarHBondContact O-N 2.96Å; V585-D587 VanDerWaalsContact C-N 3.33Å; V585-D587 PolarHBondContact O-N 3.46Å; V585-C588 PolarHBondContact O-N 2.78Å; V585-V589 WeakPolarHBondContact O-CG2 3.46Å; V585-V589 PolarHBondContact O-N 2.94Å; V585-V589 VanDerWaalsContact O-N 3.13Å
586	A	93.7	Very high	92.1	Very high	21 Å²	21	46.3 Å²	46.3	17%	0.174	24%	0.236	C	C	.	.	H	α-helix	trans	-59.1	-42.2	179.1	0	0	0	0	0	112.8	L570 K582 R583 L584 V589 K590	L570-A586 HydrophobicContact CD1-CB 3.53Å; K582-A586 PolarHBondContact O-N 3.41Å; R583-A586 WeakPolarHBondContact O-CB 3.26Å; R583-A586 PolarHBondContact O-N 3.12Å; R583-A586 VanDerWaalsContact O-N 3.11Å; L584-A586 VanDerWaalsContact C-N 3.32Å; L584-A586 PolarHBondContact O-N 3.47Å; A586-V589 PolarHBondContact O-N 3.2Å; A586-K590 PolarHBondContact O-N 2.93Å
587	D	93.5	Very high	92.5	Very high	39 Å²	39	41.6 Å²	41.6	21%	0.209	21%	0.211	C	C	.	.	H	α-helix	trans	-67.5	-39.2	179.4	-75.3	-37.6	0	0	0	112.2	R583 L584 V585 K590 P597	R583-D587 WeakPolarHBondContact CG-OD2 3.5Å; R583-D587 PolarHBondContact O-N 2.5Å; L584-D587 PolarHBondContact O-N 2.8Å; V585-D587 VanDerWaalsContact C-N 3.33Å; V585-D587 PolarHBondContact O-N 3.46Å; D587-K590 WeakPolarHBondContact OD1-CE 3.49Å; D587-K590 IonicContact OD1-NZ 3.55Å; D587-K590 PolarHBondContact OD1-NZ 3.48Å; D587-P597 HydrophobicContact CB-CG 4.44Å
588	C	97.7	Very high	93	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-68.4	-33.1	177	-67.8	0	0	0	0	112.9	V531 Y532 L584 V585 R596	V531-C588 HydrophobicContact CG1-CB 4.04Å; Y532-C588 WeakPolarHBondContact CA-O 3.39Å; L584-C588 PolarHBondContact O-N 2.86Å; L584-C588 PolarHBondContact O-SG 2.95Å; V585-C588 PolarHBondContact O-N 2.78Å; C588-R596 VanDerWaalsContact O-CD 3.24Å; C588-R596 WeakPolarHBondContact O-CD 3.46Å
589	V	96.8	Very high	93.4	Very high	12 Å²	12	42.6 Å²	42.6	7%	0.073	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	16.6	-177	-54.4	0	0	0	0	114.1	Y532 I536 P568 V585 A586	Y532-V589 HydrophobicContact CD2-CB 4.37Å; Y532-V589 HydrophobicContact CE2-CB 4.09Å; I536-V589 HydrophobicContact CD1-CG1 4.05Å; P568-V589 HydrophobicContact CG-CB 4.46Å; P568-V589 HydrophobicContact CG-CG1 4.37Å; P568-V589 HydrophobicContact CG-CG2 4.48Å; V585-V589 WeakPolarHBondContact O-CG2 3.46Å; V585-V589 PolarHBondContact O-N 2.94Å; V585-V589 VanDerWaalsContact O-N 3.13Å; A586-V589 PolarHBondContact O-N 3.2Å
590	K	94	Very high	94	Very high	63 Å²	63	40.7 Å²	40.7	27%	0.274	21%	0.211	S	C	.	.			trans	-58.2	141.8	175.1	-75.7	-177.3	-178	156.3	0	111.8	A586 D587 E595 R596	A586-K590 PolarHBondContact O-N 2.93Å; D587-K590 WeakPolarHBondContact OD1-CE 3.49Å; D587-K590 IonicContact OD1-NZ 3.55Å; D587-K590 PolarHBondContact OD1-NZ 3.48Å; K590-E595 HydrophobicContact CB-CB 4.34Å; K590-E595 HydrophobicContact CD-CB 3.46Å; K590-E595 VanDerWaalsContact CD-CB 3.46Å; K590-E595 PolarHBondContact NZ-O 3.31Å; K590-R596 HydrophobicContact CB-CG 4.16Å; K590-R596 PolarHBondContact O-NE 3.19Å; K590-R596 PolarHBondContact O-NH2 3.09Å
591	K	92.9	Very high	94.4	Very high	102 Å²	102	39.4 Å²	39.4	44%	0.443	20%	0.197	S	C	.	.	S	Bend	trans	-67.7	-38.6	-177.4	-62.2	175.3	-172.3	169.7	0	111.9	G564	G564-K591 WeakPolarHBondContact O-CE 3.45Å; G564-K591 PolarHBondContact O-NZ 2.76Å
592	V	92.2	Very high	94.6	Very high	69 Å²	69	39.4 Å²	39.4	42%	0.418	20%	0.196	S	C	.	.	S	Bend	trans	-82.4	122.3	175.4	-179.1	0	0	0	0	108.7	E594 E595	V592-E594 VanDerWaalsContact C-N 3.33Å; V592-E594 HydrophobicContact CG1-CB 4.46Å; V592-E594 VanDerWaalsContact CG1-OE2 3.24Å; V592-E594 WeakPolarHBondContact CG1-OE2 3.36Å; V592-E594 PolarHBondContact O-N 3.15Å; V592-E595 HydrophobicContact CB-CB 4.49Å; V592-E595 HydrophobicContact CB-CG 3.95Å; V592-E595 HydrophobicContact CG1-CG 3.96Å; V592-E595 PolarHBondContact O-N 3.26Å
593	K	94.5	Very high	94.8	Very high	51 Å²	51	39.4 Å²	39.4	22%	0.222	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-65.3	-36.5	-172.1	67.6	-173.4	177.7	-171.6	0	112.1	E515 D521 Q528 E595 R596	E515-K593 HydrophobicContact CG-CD 4.2Å; D521-K593 IonicContact OD2-NZ 2.79Å; D521-K593 PolarHBondContact OD2-NZ 3.44Å; Q528-K593 HydrophobicContact CB-CB 4.08Å; Q528-K593 WeakPolarHBondContact CG-O 3.36Å; K593-E595 PolarHBondContact O-N 2.88Å; K593-R596 WeakPolarHBondContact O-CB 3.38Å; K593-R596 PolarHBondContact O-N 3.17Å
594	E	93.8	Very high	94.9	Very high	129 Å²	129	37.6 Å²	37.6	60%	0.603	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-68	-18.7	-178.7	-62.6	72.1	-156.4	0	0	113.6	V592 R596	V592-E594 VanDerWaalsContact C-N 3.33Å; V592-E594 HydrophobicContact CG1-CB 4.46Å; V592-E594 VanDerWaalsContact CG1-OE2 3.24Å; V592-E594 WeakPolarHBondContact CG1-OE2 3.36Å; V592-E594 PolarHBondContact O-N 3.15Å; E594-R596 VanDerWaalsContact C-N 3.35Å
595	E	92.2	Very high	94.8	Very high	104 Å²	104	38.6 Å²	38.6	49%	0.486	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-86.7	-7.6	178.9	-61.1	-175.4	172.7	0	0	113.3	K590 V592 K593	K590-E595 HydrophobicContact CB-CB 4.34Å; K590-E595 HydrophobicContact CD-CB 3.46Å; K590-E595 VanDerWaalsContact CD-CB 3.46Å; K590-E595 PolarHBondContact NZ-O 3.31Å; V592-E595 HydrophobicContact CB-CB 4.49Å; V592-E595 HydrophobicContact CB-CG 3.95Å; V592-E595 HydrophobicContact CG1-CG 3.96Å; V592-E595 PolarHBondContact O-N 3.26Å; K593-E595 PolarHBondContact O-N 2.88Å
596	R	96	Very high	94.7	Very high	9 Å²	9	38.6 Å²	38.6	3%	0.034	20%	0.199	C	C	.	.	S	Bend	trans	-79.9	138.3	177.3	-58.5	177.2	-163.6	143.4	11.6	110	E515 Q528 V531 C588 K590 K593 E594	E515-R596 IonicContact OE1-CZ 3.07Å; E515-R596 IonicContact OE1-NH1 2.79Å; E515-R596 PolarHBondContact OE1-NH1 3.49Å; E515-R596 IonicContact OE1-NH2 2.76Å; E515-R596 PolarHBondContact OE1-NH2 3Å; E515-R596 IonicContact OE2-CZ 3.82Å; E515-R596 IonicContact OE2-NH1 3.85Å; E515-R596 IonicContact OE2-NH2 3.87Å; E515-R596 PolarHBondContact OE2-NH2 2.9Å; Q528-R596 WeakPolarHBondContact O-CD 3.28Å; Q528-R596 PolarHBondContact O-NH1 3.25Å; V531-R596 HydrophobicContact CG1-CB 4Å; C588-R596 VanDerWaalsContact O-CD 3.24Å; C588-R596 WeakPolarHBondContact O-CD 3.46Å; K590-R596 HydrophobicContact CB-CG 4.16Å; K590-R596 PolarHBondContact O-NE 3.19Å; K590-R596 PolarHBondContact O-NH2 3.09Å; K593-R596 WeakPolarHBondContact O-CB 3.38Å; K593-R596 PolarHBondContact O-N 3.17Å; E594-R596 VanDerWaalsContact C-N 3.35Å
597	P	96	Very high	94.6	Very high	11 Å²	11	40.2 Å²	40.2	7%	0.071	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-67.9	161.6	174.1	30.1	-34.9	0	0	0	111.1	V531 D587 Q601 I602	V531-P597 WeakPolarHBondContact CG1-O 3.36Å; V531-P597 WeakPolarHBondContact CG2-O 3.28Å; D587-P597 HydrophobicContact CB-CG 4.44Å; P597-Q601 HydrophobicContact CB-CB 4.09Å; P597-I602 HydrophobicContact CB-CG1 4.04Å; P597-I602 HydrophobicContact CG-CD1 4.15Å; P597-I602 HydrophobicContact CG-CG1 3.7Å
598	L	97.6	Very high	94.2	Very high	59 Å²	59	40.9 Å²	40.9	31%	0.309	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-93.1	166.2	167.6	-57.7	174.2	0	0	0	110.1	F527 Q528 P600 Q601 I602	F527-L598 HydrophobicContact CB-CD2 4.05Å; Q528-L598 HydrophobicContact CG-CD2 4.27Å; L598-P600 VanDerWaalsContact C-CD 3.42Å; L598-P600 VanDerWaalsContact C-N 3.32Å; L598-Q601 VanDerWaalsContact CB-OE1 3.27Å; L598-Q601 PolarHBondContact O-N 3.15Å; L598-Q601 PolarHBondContact O-OE1 3.41Å; L598-I602 WeakPolarHBondContact O-CG1 3.21Å; L598-I602 PolarHBondContact O-N 2.71Å
599	F	98	Very high	93.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-55.2	-33.8	-177.2	-79.2	-77.9	0	0	0	115.6	A453 M456 D457 H460 D530 V531 Y534 Q601 I602 L603	A453-F599 HydrophobicContact CB-CD1 4.08Å; A453-F599 HydrophobicContact CB-CE1 4.44Å; M456-F599 HydrophobicContact CB-CD1 3.6Å; M456-F599 HydrophobicContact CB-CD2 3.81Å; M456-F599 HydrophobicContact CB-CE1 3.32Å; M456-F599 HydrophobicContact CB-CE2 3.55Å; M456-F599 HydrophobicContact CB-CG 3.85Å; M456-F599 HydrophobicContact CB-CZ 3.29Å; M456-F599 HydrophobicContact CE-CE2 3.9Å; M456-F599 HydrophobicContact CE-CZ 4.06Å; M456-F599 HydrophobicContact CG-CE1 3.84Å; M456-F599 HydrophobicContact CG-CE2 4.18Å; M456-F599 HydrophobicContact CG-CZ 3.61Å; D457-F599 HydrophobicContact CB-CB 3.81Å; H460-F599 AromaticContact CE1-CD2 3.47Å; H460-F599 VanDerWaalsContact CE1-CD2 3.47Å; H460-F599 WeakPolarHBondContact CE1-CD2 3.44Å; H460-F599 AromaticContact CE1-CE2 3.43Å; H460-F599 VanDerWaalsContact CE1-CE2 3.43Å; H460-F599 WeakPolarHBondContact CE1-CE2 3.29Å; H460-F599 AromaticContact ND1-CD2 3.37Å; H460-F599 WeakPolarHBondContact ND1-CD2 3.48Å; H460-F599 AromaticContact ND1-CE2 3.85Å; D530-F599 HydrophobicContact CB-CE2 4.47Å; V531-F599 HydrophobicContact CG2-CD2 3.99Å; V531-F599 HydrophobicContact CG2-CE2 3.7Å; V531-F599 HydrophobicContact CG2-CZ 4.28Å; Y534-F599 AromaticContact CD1-CE1 3.83Å; Y534-F599 HydrophobicContact CD1-CE1 3.83Å; Y534-F599 HydrophobicContact CD1-CZ 4.29Å; Y534-F599 HydrophobicContact CD2-CE1 4.03Å; Y534-F599 HydrophobicContact CD2-CZ 4.43Å; Y534-F599 HydrophobicContact CE1-CE1 4.24Å; Y534-F599 HydrophobicContact CE2-CE1 4.42Å; Y534-F599 AromaticContact CG-CE1 3.71Å; Y534-F599 HydrophobicContact CG-CE1 3.71Å; Y534-F599 AromaticContact CG-CZ 3.92Å; Y534-F599 HydrophobicContact CG-CZ 3.92Å; F599-Q601 PolarHBondContact O-N 2.83Å; F599-I602 HydrophobicContact CD1-CD1 4.14Å; F599-I602 HydrophobicContact CE1-CD1 4.33Å; F599-I602 HydrophobicContact CG-CD1 4.43Å; F599-I602 PolarHBondContact O-N 2.65Å; F599-L603 WeakPolarHBondContact O-CB 3.41Å; F599-L603 PolarHBondContact O-N 3.06Å
600	P	95.5	Very high	93	Very high	59 Å²	59	44.4 Å²	44.4	38%	0.383	22%	0.222	S	C	.	.	H	α-helix	trans	-59.5	-41.1	172.8	-26.7	34.4	0	0	0	113.7	D457 L598 S604	D457-P600 VanDerWaalsContact OD1-CD 3.22Å; D457-P600 WeakPolarHBondContact OD1-CD 3.29Å; D457-P600 VanDerWaalsContact OD1-CG 3.29Å; D457-P600 WeakPolarHBondContact OD1-CG 3.47Å; L598-P600 VanDerWaalsContact C-CD 3.42Å; L598-P600 VanDerWaalsContact C-N 3.32Å; P600-S604 WeakPolarHBondContact O-CB 3.1Å; P600-S604 PolarHBondContact O-N 3.39Å
601	Q	94.3	Very high	92.1	Very high	27 Å²	27	47.2 Å²	47.2	13%	0.126	24%	0.236	C	C	.	.	H	α-helix	trans	-73.8	-36	176.8	-64.1	104.2	-20.6	0	0	112	F151 Q156 P597 L598 F599 S605	F151-Q601 HydrophobicContact CB-CG 4.07Å; F151-Q601 HydrophobicContact CD1-CG 3.85Å; F151-Q601 HydrophobicContact CD2-CB 4.25Å; F151-Q601 HydrophobicContact CD2-CG 3.92Å; F151-Q601 HydrophobicContact CE1-CG 4.26Å; F151-Q601 HydrophobicContact CE2-CG 4.32Å; F151-Q601 HydrophobicContact CG-CB 4.4Å; F151-Q601 HydrophobicContact CG-CG 3.67Å; F151-Q601 HydrophobicContact CZ-CG 4.48Å; Q156-Q601 PolarHBondContact O-NE2 3.28Å; Q156-Q601 VanDerWaalsContact O-NE2 3.14Å; P597-Q601 HydrophobicContact CB-CB 4.09Å; L598-Q601 VanDerWaalsContact CB-OE1 3.27Å; L598-Q601 PolarHBondContact O-N 3.15Å; L598-Q601 PolarHBondContact O-OE1 3.41Å; F599-Q601 PolarHBondContact O-N 2.83Å; Q601-S605 WeakPolarHBondContact O-CB 3.46Å; Q601-S605 PolarHBondContact O-N 3.36Å; Q601-S605 PolarHBondContact O-OG 3.43Å
602	I	97.1	Very high	91.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-51.9	175.8	-65.3	170.7	0	0	0	109.9	A453 V531 Y534 L584 P597 L598 F599 S604 S605 I606	A453-I602 HydrophobicContact CB-CG2 4.22Å; V531-I602 HydrophobicContact CB-CD1 4.48Å; V531-I602 HydrophobicContact CG1-CD1 3.8Å; V531-I602 HydrophobicContact CG2-CD1 3.99Å; Y534-I602 HydrophobicContact CD1-CD1 4.37Å; Y534-I602 HydrophobicContact CD1-CG2 4.35Å; Y534-I602 HydrophobicContact CE1-CG2 3.57Å; L584-I602 HydrophobicContact CD1-CB 4.48Å; L584-I602 HydrophobicContact CD1-CG1 4.21Å; L584-I602 HydrophobicContact CD1-CG2 4.35Å; L584-I602 HydrophobicContact CD2-CG2 4.23Å; P597-I602 HydrophobicContact CB-CG1 4.04Å; P597-I602 HydrophobicContact CG-CD1 4.15Å; P597-I602 HydrophobicContact CG-CG1 3.7Å; L598-I602 WeakPolarHBondContact O-CG1 3.21Å; L598-I602 PolarHBondContact O-N 2.71Å; F599-I602 HydrophobicContact CD1-CD1 4.14Å; F599-I602 HydrophobicContact CE1-CD1 4.33Å; F599-I602 HydrophobicContact CG-CD1 4.43Å; F599-I602 PolarHBondContact O-N 2.65Å; I602-S604 PolarHBondContact O-N 2.84Å; I602-S605 WeakPolarHBondContact O-CA 3.4Å; I602-S605 WeakPolarHBondContact O-CB 3.5Å; I602-S605 PolarHBondContact O-N 2.83Å; I602-I606 HydrophobicContact CG2-CD1 3.85Å; I602-I606 WeakPolarHBondContact O-CG1 3.4Å; I602-I606 PolarHBondContact O-N 3.25Å
603	L	95.8	Very high	90	Very high	20 Å²	20	44.8 Å²	44.8	11%	0.105	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-47.6	-178.5	-177.2	61	0	0	0	111.2	R450 A453 Q454 F599 S605 I606 E607	R450-L603 HydrophobicContact CG-CD1 3.91Å; A453-L603 HydrophobicContact CB-CD1 4.34Å; Q454-L603 HydrophobicContact CG-CD1 3.55Å; Q454-L603 HydrophobicContact CG-CD2 3.93Å; Q454-L603 HydrophobicContact CG-CG 4.42Å; F599-L603 WeakPolarHBondContact O-CB 3.41Å; F599-L603 PolarHBondContact O-N 3.06Å; L603-S605 PolarHBondContact O-N 3.37Å; L603-I606 PolarHBondContact O-N 3.29Å; L603-I606 VanDerWaalsContact O-N 3.14Å; L603-E607 HydrophobicContact CD1-CG 4.16Å; L603-E607 HydrophobicContact CG-CG 4.35Å; L603-E607 WeakPolarHBondContact O-CB 3.43Å; L603-E607 WeakPolarHBondContact O-CG 3.43Å; L603-E607 PolarHBondContact O-N 2.94Å
604	S	91.9	Very high	88.5	Confident	4 Å²	4	46.7 Å²	46.7	3%	0.028	25%	0.249	C	C	.	.	H	α-helix	trans	-56.3	-38.6	174	167.4	0	0	0	0	112.4	L149 P600 I602 L608	L149-S604 PolarHBondContact O-OG 2.9Å; P600-S604 WeakPolarHBondContact O-CB 3.1Å; P600-S604 PolarHBondContact O-N 3.39Å; I602-S604 PolarHBondContact O-N 2.84Å; S604-L608 VanDerWaalsContact O-CB 3.26Å; S604-L608 WeakPolarHBondContact O-CB 3.5Å; S604-L608 PolarHBondContact O-N 3.47Å
605	S	91.8	Very high	86.7	Confident	31 Å²	31	50.7 Å²	50.7	22%	0.217	26%	0.264	C	S	.	.	H	α-helix	trans	-69.1	-39.7	178.2	-60.7	0	0	0	0	112.4	Q601 I602 L603 L609	Q601-S605 WeakPolarHBondContact O-CB 3.46Å; Q601-S605 PolarHBondContact O-N 3.36Å; Q601-S605 PolarHBondContact O-OG 3.43Å; I602-S605 WeakPolarHBondContact O-CA 3.4Å; I602-S605 WeakPolarHBondContact O-CB 3.5Å; I602-S605 PolarHBondContact O-N 2.83Å; L603-S605 PolarHBondContact O-N 3.37Å; S605-L609 PolarHBondContact O-N 2.9Å
606	I	93.4	Very high	84.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-71.5	-43	177.9	-61.9	171.8	0	0	0	111.2	I446 A449 R450 A453 Y534 M581 L584 I602 L603 L608 L609 Q610	I446-I606 HydrophobicContact CG2-CG2 4.12Å; A449-I606 HydrophobicContact CB-CD1 4.48Å; R450-I606 HydrophobicContact CB-CG2 3.68Å; R450-I606 HydrophobicContact CG-CG2 4.09Å; A453-I606 HydrophobicContact CB-CD1 4.18Å; Y534-I606 WeakPolarHBondContact OH-CD1 3.49Å; M581-I606 HydrophobicContact CE-CG1 4.35Å; L584-I606 HydrophobicContact CD2-CD1 3.9Å; L584-I606 HydrophobicContact CD2-CG1 3.4Å; L584-I606 VanDerWaalsContact CD2-CG1 3.4Å; I602-I606 HydrophobicContact CG2-CD1 3.85Å; I602-I606 WeakPolarHBondContact O-CG1 3.4Å; I602-I606 PolarHBondContact O-N 3.25Å; L603-I606 PolarHBondContact O-N 3.29Å; L603-I606 VanDerWaalsContact O-N 3.14Å; I606-L608 PolarHBondContact O-N 3.46Å; I606-L609 WeakPolarHBondContact O-CB 3.36Å; I606-L609 PolarHBondContact O-N 2.91Å; I606-L609 VanDerWaalsContact O-N 3.14Å; I606-Q610 PolarHBondContact O-N 3.48Å
607	E	90.9	Very high	82.3	Confident	56 Å²	56	58.6 Å²	58.6	26%	0.262	31%	0.309	S	S	.	.	H	α-helix	trans	-63.2	-42.9	177.6	-72	177.4	166	0	0	111.6	R450 L603 L609 Q610 H611	R450-E607 HydrophobicContact CG-CG 4.46Å; L603-E607 HydrophobicContact CD1-CG 4.16Å; L603-E607 HydrophobicContact CG-CG 4.35Å; L603-E607 WeakPolarHBondContact O-CB 3.43Å; L603-E607 WeakPolarHBondContact O-CG 3.43Å; L603-E607 PolarHBondContact O-N 2.94Å; E607-L609 PolarHBondContact O-N 3.12Å; E607-Q610 PolarHBondContact O-N 2.72Å; E607-H611 PolarHBondContact O-CD2 3.33Å; E607-H611 PolarHBondContact O-N 3.22Å
608	L	86.4	Confident	80	Confident	52 Å²	52	67.7 Å²	67.7	27%	0.272	34%	0.343	S	S	.	.	H	α-helix	trans	-59.9	-38.3	174.3	-172.1	69.4	0	0	0	111.5	S604 I606 S612	S604-L608 VanDerWaalsContact O-CB 3.26Å; S604-L608 WeakPolarHBondContact O-CB 3.5Å; S604-L608 PolarHBondContact O-N 3.47Å; I606-L608 PolarHBondContact O-N 3.46Å; L608-S612 PolarHBondContact O-N 2.94Å
609	L	84.9	Confident	77.9	Confident	11 Å²	11	70.7 Å²	70.7	6%	0.058	37%	0.368	C	S	.	.	H	α-helix	trans	-65.6	-47.5	175.5	172.8	65.5	0	0	0	111.4	I446 P578 A580 M581 S605 I606 E607 H611 S612 L613	I446-L609 HydrophobicContact CD1-CD2 4.01Å; I446-L609 HydrophobicContact CG1-CD2 4.5Å; P578-L609 HydrophobicContact CB-CD1 3.43Å; P578-L609 VanDerWaalsContact CB-CD1 3.43Å; P578-L609 HydrophobicContact CB-CD2 4.1Å; P578-L609 HydrophobicContact CB-CG 4.36Å; P578-L609 HydrophobicContact CG-CD1 3.92Å; P578-L609 HydrophobicContact CG-CD2 4.21Å; A580-L609 HydrophobicContact CB-CD1 4.28Å; M581-L609 HydrophobicContact CB-CD2 3.81Å; M581-L609 HydrophobicContact CE-CD2 3.93Å; S605-L609 PolarHBondContact O-N 2.9Å; I606-L609 WeakPolarHBondContact O-CB 3.36Å; I606-L609 PolarHBondContact O-N 2.91Å; I606-L609 VanDerWaalsContact O-N 3.14Å; E607-L609 PolarHBondContact O-N 3.12Å; L609-H611 PolarHBondContact O-N 3.48Å; L609-S612 WeakPolarHBondContact CA-OG 3.41Å; L609-S612 CarbonylContact O-C 3.6Å; L609-S612 WeakPolarHBondContact O-CA 3.05Å; L609-S612 PolarHBondContact O-N 3Å; L609-S612 PolarHBondContact O-OG 2.91Å; L609-L613 HydrophobicContact CD1-CD2 4.45Å; L609-L613 PolarHBondContact O-N 3.43Å; L609-L613 VanDerWaalsContact O-N 3.08Å
610	Q	82.8	Confident	76	Confident	76 Å²	76	75.7 Å²	75.7	36%	0.355	41%	0.409	S	S	.	.	H	α-helix	trans	-57.9	-35.5	-178.6	-167.4	178.2	14.7	0	0	112.2	I606 E607 S612	I606-Q610 PolarHBondContact O-N 3.48Å; E607-Q610 PolarHBondContact O-N 2.72Å; Q610-S612 VanDerWaalsContact C-N 3.31Å; Q610-S612 PolarHBondContact O-N 3.16Å
611	H	75.5	Confident	74.3	Confident	121 Å²	121	78.3 Å²	78.3	56%	0.56	43%	0.429	S	S	*	.	H	α-helix	trans	-72.5	-21.2	174.3	-66.5	-53.4	0	0	0	114.7	K148 E607 L609	K148-H611 PolarHBondContact NZ-CD2 2.9Å; K148-H611 PolarHBondContact NZ-CE1 3.04Å; K148-H611 VanDerWaalsContact NZ-CE1 3.33Å; K148-H611 PolarHBondContact NZ-ND1 3.13Å; K148-H611 PolarHBondContact NZ-NE2 3.04Å; E607-H611 PolarHBondContact O-CD2 3.33Å; E607-H611 PolarHBondContact O-N 3.22Å; L609-H611 PolarHBondContact O-N 3.48Å
612	S	72.5	Confident	72.4	Confident	81 Å²	81	85.6 Å²	85.6	57%	0.566	46%	0.463	S	S	*	.	H	α-helix	trans	-94.2	-13	179.9	69.9	0	0	0	0	113.8	L608 L609 Q610	L608-S612 PolarHBondContact O-N 2.94Å; L609-S612 WeakPolarHBondContact CA-OG 3.41Å; L609-S612 CarbonylContact O-C 3.6Å; L609-S612 WeakPolarHBondContact O-CA 3.05Å; L609-S612 PolarHBondContact O-N 3Å; L609-S612 PolarHBondContact O-OG 2.91Å; Q610-S612 VanDerWaalsContact C-N 3.31Å; Q610-S612 PolarHBondContact O-N 3.16Å
613	L	69.8	Low	70.4	Confident	40 Å²	40	89.6 Å²	89.6	21%	0.209	49%	0.489	C	S	.	.	S	Bend	trans	-63.1	130.2	173.7	-69.3	169.1	0	0	0	108.7	I446 P578 L609 K615	I446-L613 HydrophobicContact CD1-CD1 3.54Å; I446-L613 HydrophobicContact CD1-CD2 4.07Å; I446-L613 HydrophobicContact CD1-CG 4.35Å; I446-L613 HydrophobicContact CG2-CD1 4.4Å; P578-L613 HydrophobicContact CG-CD2 3.8Å; L609-L613 HydrophobicContact CD1-CD2 4.45Å; L609-L613 PolarHBondContact O-N 3.43Å; L609-L613 VanDerWaalsContact O-N 3.08Å; L613-K615 PolarHBondContact O-N 2.74Å
614	P	61.2	Low	68.5	Low	90 Å²	90	92.5 Å²	92.5	58%	0.584	51%	0.511	S	S	*	.			trans	-57.8	116.5	175	-15.6	26.4	0	0	0	108.2	I616	P614-I616 WeakPolarHBondContact CB-O 3.41Å; P614-I616 PolarHBondContact O-N 3.39Å; P614-I616 VanDerWaalsContact O-N 3.15Å
615	K	56.1	Low	66.4	Low	213 Å²	213	98.3 Å²	98.3	93%	0.926	54%	0.541	S	S	*	.	S	Bend	trans	-62.1	-16.2	167.9	-65.1	-174.5	179.2	-175.4	0	111.2	L613	L613-K615 PolarHBondContact O-N 2.74Å
616	I	50.2	Low	64.4	Low	113 Å²	113	104.9 Å²	104.9	58%	0.579	57%	0.568	S	S	*	*	S	Bend	trans	-143	129.6	-177.7	-55.2	174.1	0	0	0	107.2	P614 R618	P614-I616 WeakPolarHBondContact CB-O 3.41Å; P614-I616 PolarHBondContact O-N 3.39Å; P614-I616 VanDerWaalsContact O-N 3.15Å; I616-R618 PolarHBondContact O-N 3.09Å
617	N	45.5	Very low	62.3	Low	166 Å²	166	116.9 Å²	116.9	89%	0.888	61%	0.614	S	S	*	*			trans	-58.9	108.4	175.5	-105.7	-29.3	0	0	0	110.1
618	R	49.2	Very low	60.1	Low	203 Å²	203	117.7 Å²	117.7	77%	0.766	63%	0.63	S	S	*	*			trans	-132	140.1	168.6	-69.6	-173.6	176.8	156.2	-0.7	108.5	I616	I616-R618 PolarHBondContact O-N 3.09Å
619	S	53.9	Low	58	Low	121 Å²	121	119.1 Å²	119.1	85%	0.846	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-58.4	148.7	175.5	-54.8	0	0	0	0	111.1	S621	S619-S621 PolarHBondContact O-N 3.07Å
620	A	57.3	Low	55.9	Low	105 Å²	105	126.5 Å²	126.5	87%	0.868	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-61.3	129.6	177.1	0	0	0	0	0	110.7
621	S	60.1	Low	53.5	Low	114 Å²	114	130.1 Å²	130.1	80%	0.797	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-77	157.7	171	57.9	0	0	0	0	111.2	S619	S619-S621 PolarHBondContact O-N 3.07Å
622	E	53.3	Low	51.4	Low	181 Å²	181	131.8 Å²	131.8	85%	0.846	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-56.7	134.8	179.4	-155.1	172.1	-173.7	0	0	112
623	P	56.6	Low	49.6	Very low	83 Å²	83	135 Å²	135	54%	0.539	73%	0.729	S	S	.	*	P	Polyproline II helix	trans	-69.8	145.7	-179.8	27.5	-33.1	0	0	0	111.6	L625	P623-L625 PolarHBondContact O-N 2.91Å; P623-L625 VanDerWaalsContact O-N 3.07Å
624	S	54.6	Low	47.8	Very low	81 Å²	81	141.4 Å²	141.4	57%	0.566	76%	0.762	S	S	*	*			trans	-73.1	101.9	173.3	38	0	0	0	0	110	Q166	Q166-S624 PolarHBondContact NE2-OG 3.48Å; Q166-S624 PolarHBondContact OE1-O 2.85Å
625	L	48.1	Very low	46.4	Very low	126 Å²	126	144.1 Å²	144.1	66%	0.66	77%	0.771	S	S	*	*			trans	-78.5	138.1	173.7	-78.5	171.8	0	0	0	110.7	P623	P623-L625 PolarHBondContact O-N 2.91Å; P623-L625 VanDerWaalsContact O-N 3.07Å
626	H	49.5	Very low	45.2	Very low	169 Å²	169	138.3 Å²	138.3	78%	0.782	76%	0.763	S	S	*	*			trans	67	83.6	169.3	-60.6	76.8	0	0	0	118.2
627	R	50.5	Low	44.2	Very low	253 Å²	253	138.5 Å²	138.5	96%	0.955	77%	0.773	S	S	*	*			trans	-136.7	12.9	153.1	-147.7	-179.6	-94.3	153.3	-8.6	113.5
628	A	45.2	Very low	43.6	Very low	73 Å²	73	136.3 Å²	136.3	60%	0.603	77%	0.766	S	S	*	*			trans	-120.1	66.5	-179.1	0	0	0	0	0	110.2	F141	F141-A628 VanDerWaalsContact O-CB 3.27Å; F141-A628 WeakPolarHBondContact O-CB 3.29Å
629	A	41.7	Very low	43	Very low	81 Å²	81	133.8 Å²	133.8	67%	0.669	77%	0.767	S	S	*	*	S	Bend	trans	-142.3	117.8	163.6	0	0	0	0	0	107.4
630	H	39.6	Very low	42	Very low	167 Å²	167	133.6 Å²	133.6	77%	0.773	76%	0.761	S	S	*	*			trans	38	99.4	156.6	-61.8	-86.6	0	0	0	118	E632	H630-E632 PolarHBondContact O-N 3.05Å
631	T	32.7	Very low	41	Very low	152 Å²	152	134.8 Å²	134.8	93%	0.933	76%	0.757	S	S	*	*			trans	-79.9	73.6	150.3	45.4	0	0	0	0	108.7
632	E	33	Very low	39.9	Very low	155 Å²	155	134.9 Å²	134.9	72%	0.724	76%	0.758	S	S	*	*			trans	-136.7	141.1	158.7	-66.8	-167	155.8	0	0	105.8	H630	H630-E632 PolarHBondContact O-N 3.05Å
633	D	34.1	Very low	39.2	Very low	148 Å²	148	131.5 Å²	131.5	79%	0.791	75%	0.751	S	S	*	*			trans	89.6	55.8	-175.1	-49	-28.4	0	0	0	117.4
634	I	31.8	Very low	38.5	Very low	176 Å²	176	139.6 Å²	139.6	90%	0.903	77%	0.771	S	S	*	*			trans	-95.9	86.1	140.2	-63.8	173.8	0	0	0	105.9
635	N	32.3	Very low	37.8	Very low	147 Å²	147	143.4 Å²	143.4	79%	0.786	78%	0.784	S	S	*	*			trans	-116.7	136.1	165.1	-98.6	-12.1	0	0	0	109.4
636	A	30.1	Very low	37.4	Very low	90 Å²	90	142.2 Å²	142.2	74%	0.744	78%	0.784	S	S	*	*			trans	-58.4	167.8	-178	0	0	0	0	0	113.6
637	C	30	Very low	37	Very low	118 Å²	118	139.8 Å²	139.8	80%	0.797	78%	0.781	S	S	*	*			trans	90	118	-175.3	-55.4	0	0	0	0	111.3
638	T	32.8	Very low	36.7	Very low	119 Å²	119	141 Å²	141	73%	0.73	79%	0.794	S	S	*	*			cis	-171	151.4	36.4	-23.5	0	0	0	0	108.8
639	L	36.3	Very low	36.3	Very low	151 Å²	151	144.4 Å²	144.4	79%	0.791	80%	0.803	S	S	*	*			trans	87.4	91.4	153.9	-58	160.2	0	0	0	119.2
640	T	31.8	Very low	36	Very low	117 Å²	117	147.7 Å²	147.7	72%	0.718	81%	0.81	S	S	*	*				-16.4	137.1	125.6	54.9	0	0	0	0	112.7
641	T	36.9	Very low	35.8	Very low	130 Å²	130	146.6 Å²	146.6	80%	0.798	81%	0.812	S	S	*	*				-176.8	134.1	58.5	-19.8	0	0	0	0	110.1
642	S	37.5	Very low	36	Very low	116 Å²	116	146.3 Å²	146.3	81%	0.811	81%	0.805	S	S	*	*			trans	68.7	137.6	144.8	-140.4	0	0	0	0	123.3
643	P	38.9	Very low	36.2	Very low	109 Å²	109	145.8 Å²	145.8	71%	0.708	81%	0.81	S	S	*	*			trans	-107.5	142.9	-171	38.4	-26.2	0	0	0	113.7
644	R	41.8	Very low	36.3	Very low	254 Å²	254	145.6 Å²	145.6	96%	0.958	81%	0.811	S	S	*	*			trans	-152	113.8	151.2	-74.5	-161.1	177	152.5	-0.9	111.8
645	L	39.8	Very low	36.7	Very low	160 Å²	160	143.4 Å²	143.4	84%	0.838	81%	0.805	S	S	*	*			trans	-70.8	-179.3	155.9	-93.8	164.4	0	0	0	110.2
646	P	39.3	Very low	37	Very low	101 Å²	101	143.2 Å²	143.2	66%	0.656	81%	0.806	S	S	*	*			cis	-145.3	-174.1	-10.6	29.3	-3.6	0	0	0	116.3
647	V	41.4	Very low	37.6	Very low	118 Å²	118	147.6 Å²	147.6	72%	0.715	81%	0.812	S	S	*	*			trans	72.4	104	152.8	-163.3	0	0	0	0	119.7
648	F	44.4	Very low	38.3	Very low	278 Å²	278	150.3 Å²	150.3	100%	1.219	81%	0.813	S	S	*	*				-145.4	0	102.7	-96.3	-77.2	0	0	0	109.7

Retrieved 648 of 648 residues in 1431.8 ms (Link to these results)

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