A0A096NYB3_PAPAN Loading...

Exostosin-like 3

Glycosyltransferase which regulates the biosynthesis of heparan sulfate (HS). Initiates HS synthesis by transferring the first N-acetyl-alpha-D-glucosamine (alpha-GlcNAc) residue (GlcNAcT-I activity) to the tetrasaccharide linker (GlcA-Gal-Gal-Xyl-)Ser core linker. May also transfer alpha-GlcNAc residues during HS elongation (GlcNAcT-II activity). Lacks glucuronyl transferase II (GlcAT-II) activity. Important for both skeletal development and hematopoiesis, through the formation of HS proteoglycans (HSPGs). Through the synthesis of HS, regulates postnatal pancreatic islet maturation and insulin secretion. Receptor for REG3A, REG3B and REG3G, induces the activation of downstream signaling pathways such as PI3K-AKT or RAS-RAF-MEK-ERK signaling pathway. Required for the function of REG3A in regulating keratinocyte proliferation and differentiation. Required for the inhibition of skin inflammation mediated by REG3A through the activation of PI3K-AKT-STAT3 pathway. Required for the function of REG3A and REG3G in glucose tolerance in pancreas. Expressed in microglia, is activated by nociceptor-derived REG3G in response to endotoxins, leading to the inhibition of kynurenine pathway to prevent endotoxic death.

AlphaFold DB , UniProt , Accession A0A096NYB3, Species PAPAN (Papio anubis, Olive baboon), Gene EXTL3, Length 919 aa.

						>A0A096NYB3_PAPAN|A0A096NYB3|EXTL3
MTGYTMLRNGGVGNGGQTCMLRWSNRIRLTWLSFTLFVILVFFPLIAHYYLTTLDEADEAGKRIFGPRVGNELCEVKHVLDLCRIRESVSEELLQLEAKRQELNSEIAKLNLKIEACKKSIENAKQDLLQLKNVISQTEHSYKELMAQNQPKLSLPIRLLPEKDDAGLPPPKATRGCRLHNCFDYSRCPLTSGFPVYVYDSDQFVFGSYLDPLVKQAFQATARANVYVTENADIACLYVILVGEMQEPVVLRPAELEKQLHSLPHWRTDGHNHVIINLSRKSDTQNLLYNVSTGRAMVAQSTFYAVQYRPGFDLVVSPLVHAMSEPNFMEIPPQVPVKRKYLFTFQGEKIESLRSSLQEARSFEEEMESDPPADYDDRIIATLKAVQDSKLDQVLVEFTCKNQPKPSLPTEWALCGEREDRLELLKLSTFALIITPGDPRLVISSGCATRLFEALEVGAVPVVLGEQVQLPYQDMLQWNEAALVVPKPRVTEVHFLLRSLSDSDLLAMRRQGRFLWETYFSTADSIFNTVLAMIRTRIQIPAAPIREEAAAEIPHRSGKAAGTDPNMADNGDLDLGPVETEPPYASPRYLRNFTLTVTDFYRSWNSAPGPFHLFPHTPFDPVLPSEAKFLGSGTGFRPIGGGAGGSGKEFQAALGGNVPREQFTVVMLTYEREEVLMNSLERLNGLPYLNKVVVVWNSPKLPSEDLLWPDIGVPIMVVRTEKNSLNNRFLPWNEIETEAILSIDDDAHLRHDEIMFGFRVWREARDRIVGFPGRYHAWDIPHQSWLYNSNYSCELSMVLTGAAFFHKYYAYLYSYVMPQAIRDMVDEYINCEDIAMNFLVSHITRKPPIKVTSRWTFRCPGCPQALSHDDSHFHERHKCINFFVKVYGYMPLLYTQFRVDSVLFKTRLPHDKTKCFKFI
					

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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	32.8	Very low	29.7	Very low	233 Å²	233	150.1 Å²	150.1	100%	1.148	84%	0.843	S	S	*	*				0	120.2	0	-89.9	167.6	164.9	0	0	107.9
2	T	30.8	Very low	29.8	Very low	144 Å²	144	150.7 Å²	150.7	88%	0.883	85%	0.852	S	S	*	*			trans	36.6	126.4	147.9	53.2	0	0	0	0	118.6
3	G	29.8	Very low	29.7	Very low	64 Å²	64	144.8 Å²	144.8	66%	0.66	85%	0.846	S	S	*	*			cis	119.5	120.6	24.4	0	0	0	0	0	110.5
4	Y	31.8	Very low	29.7	Very low	230 Å²	230	147.1 Å²	147.1	90%	0.902	85%	0.853	S	S	*	*			trans	62.4	146.2	160.8	-70	-91.1	0	0	0	118.4
5	T	30.9	Very low	29.6	Very low	123 Å²	123	142.4 Å²	142.4	76%	0.755	85%	0.849	S	S	*	*			cis	-171.8	133.1	46.2	-1.5	0	0	0	0	109.3
6	M	30	Very low	29.4	Very low	170 Å²	170	138.9 Å²	138.9	84%	0.837	85%	0.851	S	S	*	*				37.2	128.7	110.5	-84.4	-136.6	-127	0	0	121.5
7	L	28	Very low	29.6	Very low	168 Å²	168	141.8 Å²	141.8	88%	0.88	85%	0.853	S	S	*	*			trans	173.6	121.3	132.9	-92.3	156.5	0	0	0	106.8
8	R	28.5	Very low	29.7	Very low	214 Å²	214	141.7 Å²	141.7	81%	0.808	85%	0.853	S	S	*	*			cis	91.4	128.6	39	-147.7	-169.3	-178.6	177.7	2.9	114.7
9	N	30.3	Very low	29.7	Very low	150 Å²	150	140.3 Å²	140.3	80%	0.802	85%	0.849	S	S	*	*			trans	87.7	137.1	167.6	-70.1	-7.6	0	0	0	117.6
10	G	27.8	Very low	29.7	Very low	82 Å²	82	141.5 Å²	141.5	85%	0.845	85%	0.847	S	S	*	*			cis	157.3	152.4	1.7	0	0	0	0	0	111.5
11	G	26.7	Very low	29.8	Very low	73 Å²	73	141.1 Å²	141.1	75%	0.753	84%	0.84	S	S	*	*			trans	137.5	92.4	170.8	0	0	0	0	0	111.4
12	V	30.6	Very low	29.9	Very low	157 Å²	157	141.3 Å²	141.3	95%	0.952	83%	0.828	S	S	*	*				72.4	114.7	62.9	-174	0	0	0	0	114.5
13	G	28.1	Very low	29.9	Very low	75 Å²	75	146 Å²	146	77%	0.773	83%	0.83	S	S	*	*			trans	179.8	88.8	166.4	0	0	0	0	0	113.2
14	N	29.6	Very low	30.3	Very low	176 Å²	176	147.2 Å²	147.2	94%	0.941	83%	0.828	S	S	*	*			trans	-45.3	161.2	168.5	-99.6	-14.9	0	0	0	114.3
15	G	28.4	Very low	30.7	Very low	77 Å²	77	143 Å²	143	79%	0.794	82%	0.821	S	S	*	*			cis	166	165.7	8.8	0	0	0	0	0	110.3
16	G	27.1	Very low	31.7	Very low	86 Å²	86	148.4 Å²	148.4	89%	0.887	83%	0.828	S	S	*	*			trans	158.8	100.9	170.5	0	0	0	0	0	114.8
17	Q	32.1	Very low	32.7	Very low	189 Å²	189	146.8 Å²	146.8	88%	0.883	82%	0.821	S	S	*	*			trans	-90.1	157.7	-176.5	-75.9	173.5	-34.8	0	0	114.8
18	T	31	Very low	34	Very low	140 Å²	140	147.8 Å²	147.8	86%	0.859	81%	0.813	S	S	*	*				-172.7	116.2	127.8	41.8	0	0	0	0	106.6
19	C	29.5	Very low	35.4	Very low	115 Å²	115	144.7 Å²	144.7	78%	0.777	81%	0.812	S	S	*	*			cis	82.9	134.8	49.8	-152.2	0	0	0	0	116
20	M	29.6	Very low	36.9	Very low	163 Å²	163	142.4 Å²	142.4	80%	0.803	80%	0.804	S	S	*	*			trans	90.3	130.7	174.2	-49.9	-78.7	-118.7	0	0	115.6
21	L	32.4	Very low	38.4	Very low	134 Å²	134	147.9 Å²	147.9	70%	0.702	80%	0.799	S	S	*	*			cis	-160.7	141	1.1	-143.6	90.1	0	0	0	109.2
22	R	36	Very low	40.2	Very low	237 Å²	237	149.3 Å²	149.3	89%	0.894	79%	0.789	S	S	*	*			trans	-79.2	150.8	159.5	-90.9	175.6	166.5	177.1	-3	109.1
23	W	30.7	Very low	41.8	Very low	243 Å²	243	146 Å²	146	92%	0.92	77%	0.772	S	S	*	*			trans	-164.3	105.9	142.6	-109.8	42.3	0	0	0	109.6
24	S	38.2	Very low	43.8	Very low	90 Å²	90	148.8 Å²	148.8	63%	0.629	76%	0.764	S	S	*	*				40.9	120.5	121.9	-165.5	0	0	0	0	117.9
25	N	39.9	Very low	45.6	Very low	141 Å²	141	143 Å²	143	75%	0.754	74%	0.735	S	S	*	*				-173	126.5	106.7	-91.9	-17.1	0	0	0	113.5	I27	N25-I27 PolarHBondContact O-N 2.98Å
26	R	50.9	Low	47.6	Very low	236 Å²	236	144.2 Å²	144.2	89%	0.891	72%	0.723	S	S	*	*			trans	-70.4	110.8	164.4	-70	179	-179.6	-171.4	-0.7	108.7
27	I	51.7	Low	49.7	Very low	136 Å²	136	146.1 Å²	146.1	70%	0.697	71%	0.706	S	S	*	*			trans	-98.4	114.2	161.6	-64.9	172.8	0	0	0	106.8	N25 L29	N25-I27 PolarHBondContact O-N 2.98Å; I27-L29 PolarHBondContact O-N 2.95Å
28	R	56	Low	51.4	Low	189 Å²	189	139.7 Å²	139.7	71%	0.713	68%	0.68	S	S	*	*			trans	-71.1	126.4	-179.2	-72.5	-179.4	175	171.8	-1.6	109.3	T30 W31	R28-T30 PolarHBondContact O-N 3.38Å; R28-W31 PolarHBondContact O-N 3.02Å
29	L	57.2	Low	53.3	Low	150 Å²	150	137.8 Å²	137.8	79%	0.785	66%	0.664	S	S	*	*	H	α-helix	trans	-48.6	-22.4	177.4	-146.7	79.6	0	0	0	114	I27 W31 S33	I27-L29 PolarHBondContact O-N 2.95Å; L29-W31 VanDerWaalsContact C-N 3.33Å; L29-W31 PolarHBondContact O-N 3Å; L29-S33 PolarHBondContact O-N 3.46Å
30	T	61.8	Low	55.2	Low	102 Å²	102	138 Å²	138	63%	0.626	66%	0.656	S	S	*	*	H	α-helix	trans	-67.5	-27.2	176.6	54.7	0	0	0	0	113.8	R28 F34	R28-T30 PolarHBondContact O-N 3.38Å; T30-F34 PolarHBondContact O-N 3.34Å
31	W	59.1	Low	57.2	Low	196 Å²	196	133.1 Å²	133.1	74%	0.742	64%	0.635	S	S	*	*	H	α-helix	trans	-77.7	-36.8	178.6	-130.6	58	0	0	0	112	R28 L29 F34 T35	R28-W31 PolarHBondContact O-N 3.02Å; L29-W31 VanDerWaalsContact C-N 3.33Å; L29-W31 PolarHBondContact O-N 3Å; W31-F34 PolarHBondContact O-N 3.27Å; W31-T35 PolarHBondContact O-N 3.08Å; W31-T35 PolarHBondContact O-OG1 3.47Å
32	L	65.2	Low	58.8	Low	104 Å²	104	132.6 Å²	132.6	55%	0.545	63%	0.628	S	S	.	*	H	α-helix	trans	-64.9	-40.5	174.6	-98.7	154.1	0	0	0	112.2	T35 L36	L32-T35 VanDerWaalsContact CA-OG1 3.31Å; L32-T35 WeakPolarHBondContact CA-OG1 3.36Å; L32-T35 PolarHBondContact O-N 3.45Å; L32-T35 PolarHBondContact O-OG1 2.94Å; L32-L36 WeakPolarHBondContact O-CB 3.42Å; L32-L36 PolarHBondContact O-N 3.02Å
33	S	64.1	Low	60.3	Low	86 Å²	86	128.2 Å²	128.2	60%	0.601	62%	0.616	S	S	*	*	H	α-helix	trans	-66.5	-38.5	176.1	177.6	0	0	0	0	112.5	L29 L36 F37	L29-S33 PolarHBondContact O-N 3.46Å; S33-L36 PolarHBondContact O-N 3.47Å; S33-F37 WeakPolarHBondContact O-CB 3.49Å; S33-F37 PolarHBondContact O-N 3.47Å; S33-F37 VanDerWaalsContact O-N 3.08Å
34	F	69.6	Low	62	Low	135 Å²	135	120.2 Å²	120.2	59%	0.592	60%	0.595	S	S	*	*	H	α-helix	trans	-67.5	-42.6	175.2	-172.8	-100.4	0	0	0	112	T30 W31 L36 F37 V38	T30-F34 PolarHBondContact O-N 3.34Å; W31-F34 PolarHBondContact O-N 3.27Å; F34-L36 VanDerWaalsContact C-N 3.34Å; F34-L36 PolarHBondContact O-N 3.46Å; F34-F37 PolarHBondContact O-N 2.95Å; F34-V38 HydrophobicContact CD1-CG2 4.29Å; F34-V38 HydrophobicContact CE1-CG2 3.98Å; F34-V38 HydrophobicContact CZ-CG2 4.22Å; F34-V38 WeakPolarHBondContact O-CG2 3.41Å; F34-V38 PolarHBondContact O-N 2.89Å
35	T	66.6	Low	63.2	Low	55 Å²	55	121.1 Å²	121.1	34%	0.337	59%	0.592	S	S	.	*	H	α-helix	trans	-65.1	-36.3	175.8	45.9	0	0	0	0	112.7	W31 L32 V38 I39	W31-T35 PolarHBondContact O-N 3.08Å; W31-T35 PolarHBondContact O-OG1 3.47Å; L32-T35 VanDerWaalsContact CA-OG1 3.31Å; L32-T35 WeakPolarHBondContact CA-OG1 3.36Å; L32-T35 PolarHBondContact O-N 3.45Å; L32-T35 PolarHBondContact O-OG1 2.94Å; T35-V38 PolarHBondContact O-N 3.49Å; T35-I39 WeakPolarHBondContact O-CD1 3.27Å; T35-I39 VanDerWaalsContact O-CG1 3.25Å; T35-I39 WeakPolarHBondContact O-CG1 3.36Å; T35-I39 PolarHBondContact O-N 3.05Å
36	L	71.6	Confident	64.4	Low	102 Å²	102	118.4 Å²	118.4	53%	0.534	58%	0.577	S	S	.	*	H	α-helix	trans	-69.1	-37.1	177.4	-141.2	98.4	0	0	0	111.7	L32 S33 F34 I39 L40	L32-L36 WeakPolarHBondContact O-CB 3.42Å; L32-L36 PolarHBondContact O-N 3.02Å; S33-L36 PolarHBondContact O-N 3.47Å; F34-L36 VanDerWaalsContact C-N 3.34Å; F34-L36 PolarHBondContact O-N 3.46Å; L36-I39 PolarHBondContact O-N 2.95Å; L36-L40 HydrophobicContact CD2-CD1 3.86Å; L36-L40 HydrophobicContact CG-CD1 4.22Å; L36-L40 WeakPolarHBondContact O-CB 3.26Å; L36-L40 WeakPolarHBondContact O-CG 3.36Å; L36-L40 PolarHBondContact O-N 3.43Å
37	F	71	Confident	65.1	Low	125 Å²	125	109.4 Å²	109.4	55%	0.548	55%	0.553	S	S	.	*	H	α-helix	trans	-66.6	-41.4	175.2	-177	-99.9	0	0	0	112.1	S33 F34 L40 V41	S33-F37 WeakPolarHBondContact O-CB 3.49Å; S33-F37 PolarHBondContact O-N 3.47Å; S33-F37 VanDerWaalsContact O-N 3.08Å; F34-F37 PolarHBondContact O-N 2.95Å; F37-L40 PolarHBondContact O-N 3.34Å; F37-V41 HydrophobicContact CD2-CG2 4.08Å; F37-V41 HydrophobicContact CE2-CG2 3.83Å; F37-V41 HydrophobicContact CZ-CG2 4.1Å; F37-V41 WeakPolarHBondContact O-CB 3.43Å; F37-V41 WeakPolarHBondContact O-CG2 3.48Å; F37-V41 PolarHBondContact O-N 3.49Å
38	V	67	Low	65.6	Low	54 Å²	54	108.9 Å²	108.9	33%	0.327	55%	0.547	S	S	.	.	H	α-helix	trans	-63.5	-41.9	174.5	173.9	0	0	0	0	110.9	F34 T35 F42	F34-V38 HydrophobicContact CD1-CG2 4.29Å; F34-V38 HydrophobicContact CE1-CG2 3.98Å; F34-V38 HydrophobicContact CZ-CG2 4.22Å; F34-V38 WeakPolarHBondContact O-CG2 3.41Å; F34-V38 PolarHBondContact O-N 2.89Å; T35-V38 PolarHBondContact O-N 3.49Å; V38-F42 HydrophobicContact CG1-CB 4.39Å; V38-F42 VanDerWaalsContact O-CB 3.27Å; V38-F42 WeakPolarHBondContact O-CB 3.42Å; V38-F42 PolarHBondContact O-N 3.37Å
39	I	71.6	Confident	66	Low	101 Å²	101	107.3 Å²	107.3	52%	0.518	54%	0.542	S	S	.	.	H	α-helix	trans	-69.3	-38.9	178.8	-66.7	165.3	0	0	0	111.9	T35 L36 F43	T35-I39 WeakPolarHBondContact O-CD1 3.27Å; T35-I39 VanDerWaalsContact O-CG1 3.25Å; T35-I39 WeakPolarHBondContact O-CG1 3.36Å; T35-I39 PolarHBondContact O-N 3.05Å; L36-I39 PolarHBondContact O-N 2.95Å; I39-F43 WeakPolarHBondContact O-CB 3.35Å
40	L	69.9	Low	66	Low	118 Å²	118	107.2 Å²	107.2	62%	0.618	53%	0.532	S	S	*	.	H	α-helix	trans	-81.1	-20.4	-176.4	-75.1	166.4	0	0	0	114	L36 F37 P44	L36-L40 HydrophobicContact CD2-CD1 3.86Å; L36-L40 HydrophobicContact CG-CD1 4.22Å; L36-L40 WeakPolarHBondContact O-CB 3.26Å; L36-L40 WeakPolarHBondContact O-CG 3.36Å; L36-L40 PolarHBondContact O-N 3.43Å; F37-L40 PolarHBondContact O-N 3.34Å; L40-P44 WeakPolarHBondContact O-CD 3.5Å; L40-P44 VanDerWaalsContact O-CG 3.32Å; L40-P44 WeakPolarHBondContact O-CG 3.35Å
41	V	69.9	Low	65.7	Low	61 Å²	61	108.1 Å²	108.1	37%	0.37	53%	0.533	S	S	.	.	H	α-helix	trans	-109.5	-44	-177.8	-178.3	0	0	0	0	112.6	F37 L45	F37-V41 HydrophobicContact CD2-CG2 4.08Å; F37-V41 HydrophobicContact CE2-CG2 3.83Å; F37-V41 HydrophobicContact CZ-CG2 4.1Å; F37-V41 WeakPolarHBondContact O-CB 3.43Å; F37-V41 WeakPolarHBondContact O-CG2 3.48Å; F37-V41 PolarHBondContact O-N 3.49Å; V41-L45 HydrophobicContact CG1-CD1 4.38Å
42	F	67.1	Low	65.4	Low	124 Å²	124	102.6 Å²	102.6	54%	0.544	52%	0.521	S	S	.	.	H	α-helix	trans	-79.1	-33.1	-177.1	-92.4	-93.3	0	0	0	113.3	V38 L45 I46	V38-F42 HydrophobicContact CG1-CB 4.39Å; V38-F42 VanDerWaalsContact O-CB 3.27Å; V38-F42 WeakPolarHBondContact O-CB 3.42Å; V38-F42 PolarHBondContact O-N 3.37Å; F42-L45 PolarHBondContact O-N 2.93Å; F42-I46 VanDerWaalsContact O-CG1 3.26Å; F42-I46 WeakPolarHBondContact O-CG1 3.33Å; F42-I46 PolarHBondContact O-N 3.13Å
43	F	67.4	Low	64.7	Low	145 Å²	145	100.7 Å²	100.7	64%	0.636	51%	0.514	S	S	*	.	H	α-helix	trans	-68.6	-40.9	-178.5	-121.3	-86.5	0	0	0	113.3	I39 L45 I46 A47	I39-F43 WeakPolarHBondContact O-CB 3.35Å; F43-L45 VanDerWaalsContact C-N 3.33Å; F43-L45 PolarHBondContact O-N 2.94Å; F43-I46 PolarHBondContact O-N 3.13Å; F43-A47 WeakPolarHBondContact O-CB 3.36Å; F43-A47 PolarHBondContact O-N 3.36Å
44	P	67.3	Low	63.9	Low	75 Å²	75	102.9 Å²	102.9	49%	0.487	52%	0.518	S	S	.	.	H	α-helix	trans	-65.7	-33.4	172	-22.7	34.3	0	0	0	113.2	L40 A47 H48	L40-P44 WeakPolarHBondContact O-CD 3.5Å; L40-P44 VanDerWaalsContact O-CG 3.32Å; L40-P44 WeakPolarHBondContact O-CG 3.35Å; P44-A47 PolarHBondContact O-N 3.49Å; P44-H48 WeakPolarHBondContact O-CB 3.43Å; P44-H48 PolarHBondContact O-N 3Å
45	L	63.2	Low	62.6	Low	109 Å²	109	103.7 Å²	103.7	57%	0.571	53%	0.528	S	S	*	.	H	α-helix	trans	-70	-37.6	176.2	-94.4	158.2	0	0	0	112.4	V41 F42 F43 Y49	V41-L45 HydrophobicContact CG1-CD1 4.38Å; F42-L45 PolarHBondContact O-N 2.93Å; F43-L45 VanDerWaalsContact C-N 3.33Å; F43-L45 PolarHBondContact O-N 2.94Å; L45-Y49 WeakPolarHBondContact O-CB 3.2Å; L45-Y49 PolarHBondContact O-N 2.88Å
46	I	65.4	Low	61.4	Low	83 Å²	83	109.9 Å²	109.9	43%	0.426	55%	0.554	S	S	.	*	H	α-helix	trans	-70.3	-40.5	173.5	-67.3	165.1	0	0	0	110.6	F42 F43 H48 Y49 Y50	F42-I46 VanDerWaalsContact O-CG1 3.26Å; F42-I46 WeakPolarHBondContact O-CG1 3.33Å; F42-I46 PolarHBondContact O-N 3.13Å; F43-I46 PolarHBondContact O-N 3.13Å; I46-H48 VanDerWaalsContact C-N 3.33Å; I46-H48 PolarHBondContact O-N 3.33Å; I46-Y49 PolarHBondContact O-N 3.1Å; I46-Y50 HydrophobicContact CG2-CD2 3.82Å; I46-Y50 HydrophobicContact CG2-CE2 4.06Å; I46-Y50 WeakPolarHBondContact O-CD2 3.49Å; I46-Y50 PolarHBondContact O-N 3.38Å
47	A	63.7	Low	60	Low	47 Å²	47	108.6 Å²	108.6	39%	0.388	56%	0.558	S	S	.	*	H	α-helix	trans	-63.4	-39.2	174.6	0	0	0	0	0	111.8	F43 P44 L51	F43-A47 WeakPolarHBondContact O-CB 3.36Å; F43-A47 PolarHBondContact O-N 3.36Å; P44-A47 PolarHBondContact O-N 3.49Å; A47-L51 WeakPolarHBondContact O-CB 3.31Å; A47-L51 WeakPolarHBondContact O-CD1 3.45Å; A47-L51 WeakPolarHBondContact O-CG 3.45Å; A47-L51 PolarHBondContact O-N 3.48Å
48	H	63.7	Low	58.3	Low	126 Å²	126	110.7 Å²	110.7	58%	0.583	58%	0.575	S	S	*	*	H	α-helix	trans	-69.5	-40.3	176.1	-159	37	0	0	0	112	P44 I46 L51 T52	P44-H48 WeakPolarHBondContact O-CB 3.43Å; P44-H48 PolarHBondContact O-N 3Å; I46-H48 VanDerWaalsContact C-N 3.33Å; I46-H48 PolarHBondContact O-N 3.33Å; H48-L51 PolarHBondContact O-N 2.98Å; H48-T52 PolarHBondContact O-N 3.03Å; H48-T52 PolarHBondContact O-OG1 3.44Å
49	Y	63	Low	56.8	Low	155 Å²	155	117.2 Å²	117.2	61%	0.608	60%	0.602	S	S	*	*	H	α-helix	trans	-60	-46.4	173.6	-178.4	-103.2	0	0	0	112.2	L45 I46 T52 T53	L45-Y49 WeakPolarHBondContact O-CB 3.2Å; L45-Y49 PolarHBondContact O-N 2.88Å; I46-Y49 PolarHBondContact O-N 3.1Å; Y49-T52 WeakPolarHBondContact CA-OG1 3.25Å; Y49-T52 PolarHBondContact O-N 3.01Å; Y49-T52 PolarHBondContact O-OG1 3.48Å; Y49-T53 HydrophobicContact CE1-CG2 4.44Å; Y49-T53 HydrophobicContact CE2-CG2 4.5Å; Y49-T53 WeakPolarHBondContact O-CG2 3.32Å; Y49-T53 PolarHBondContact O-N 2.92Å; Y49-T53 VanDerWaalsContact O-N 3.1Å; Y49-T53 PolarHBondContact O-OG1 2.94Å; Y49-T53 VanDerWaalsContact O-OG1 3.13Å
50	Y	57.7	Low	55	Low	148 Å²	148	117.5 Å²	117.5	58%	0.58	62%	0.619	S	S	*	*	H	α-helix	trans	-69.6	-32.6	178.2	-91	-81.8	0	0	0	113.6	I46 T53 L54	I46-Y50 HydrophobicContact CG2-CD2 3.82Å; I46-Y50 HydrophobicContact CG2-CE2 4.06Å; I46-Y50 WeakPolarHBondContact O-CD2 3.49Å; I46-Y50 PolarHBondContact O-N 3.38Å; Y50-T53 WeakPolarHBondContact CA-OG1 3.37Å; Y50-T53 PolarHBondContact O-N 2.87Å; Y50-T53 PolarHBondContact O-OG1 3.41Å; Y50-T53 VanDerWaalsContact O-OG1 3.13Å; Y50-L54 WeakPolarHBondContact O-CD1 3.38Å; Y50-L54 WeakPolarHBondContact O-CG 3.44Å; Y50-L54 PolarHBondContact O-N 3.31Å
51	L	56	Low	53.3	Low	121 Å²	121	115.6 Å²	115.6	63%	0.634	63%	0.628	S	S	*	*	H	α-helix	trans	-70.3	-32.3	173.8	-81.5	161.6	0	0	0	112.3	A47 H48	A47-L51 WeakPolarHBondContact O-CB 3.31Å; A47-L51 WeakPolarHBondContact O-CD1 3.45Å; A47-L51 WeakPolarHBondContact O-CG 3.45Å; A47-L51 PolarHBondContact O-N 3.48Å; H48-L51 PolarHBondContact O-N 2.98Å
52	T	53.2	Low	51.5	Low	81 Å²	81	121.5 Å²	121.5	50%	0.497	65%	0.649	S	S	.	*	H	α-helix	trans	-79.5	-20.1	174.7	48.8	0	0	0	0	114.1	H48 Y49	H48-T52 PolarHBondContact O-N 3.03Å; H48-T52 PolarHBondContact O-OG1 3.44Å; Y49-T52 WeakPolarHBondContact CA-OG1 3.25Å; Y49-T52 PolarHBondContact O-N 3.01Å; Y49-T52 PolarHBondContact O-OG1 3.48Å
53	T	50.6	Low	49.9	Very low	64 Å²	64	125.7 Å²	125.7	39%	0.393	66%	0.661	S	S	.	*	S	Bend	trans	-91.5	-5	176.4	53.1	0	0	0	0	114.2	Y49 Y50	Y49-T53 HydrophobicContact CE1-CG2 4.44Å; Y49-T53 HydrophobicContact CE2-CG2 4.5Å; Y49-T53 WeakPolarHBondContact O-CG2 3.32Å; Y49-T53 PolarHBondContact O-N 2.92Å; Y49-T53 VanDerWaalsContact O-N 3.1Å; Y49-T53 PolarHBondContact O-OG1 2.94Å; Y49-T53 VanDerWaalsContact O-OG1 3.13Å; Y50-T53 WeakPolarHBondContact CA-OG1 3.37Å; Y50-T53 PolarHBondContact O-N 2.87Å; Y50-T53 PolarHBondContact O-OG1 3.41Å; Y50-T53 VanDerWaalsContact O-OG1 3.13Å
54	L	46	Very low	48.2	Very low	131 Å²	131	125 Å²	125	69%	0.686	66%	0.662	S	S	*	*	S	Bend	trans	-90.9	-6	175.5	-77.3	166.2	0	0	0	113.3	Y50	Y50-L54 WeakPolarHBondContact O-CD1 3.38Å; Y50-L54 WeakPolarHBondContact O-CG 3.44Å; Y50-L54 PolarHBondContact O-N 3.31Å
55	D	43.8	Very low	46.6	Very low	152 Å²	152	131 Å²	131	81%	0.813	68%	0.681	S	S	*	*	S	Bend	trans	-90.7	0.4	176.9	-100.1	-11	0	0	0	114
56	E	41	Very low	45.1	Very low	185 Å²	185	128.8 Å²	128.8	86%	0.864	69%	0.685	S	S	*	*	S	Bend	trans	-118	11.5	-179.4	-85.4	-168.1	161.4	0	0	115.5
57	A	42.1	Very low	43.7	Very low	76 Å²	76	131.3 Å²	131.3	63%	0.628	71%	0.707	S	S	*	*	S	Bend	trans	-145.4	74.9	178.7	0	0	0	0	0	113.5
58	D	35.6	Very low	42.3	Very low	168 Å²	168	140.9 Å²	140.9	90%	0.898	73%	0.733	S	S	*	*			trans	-169.9	83.6	138	-114.6	-11.8	0	0	0	111.3
59	E	35	Very low	40.9	Very low	192 Å²	192	142.4 Å²	142.4	90%	0.897	75%	0.751	S	S	*	*			trans	-87.5	142.1	152.1	-101.9	-157.9	157.3	0	0	109.3
60	A	33.3	Very low	39.6	Very low	107 Å²	107	138.4 Å²	138.4	88%	0.884	76%	0.757	S	S	*	*			trans	92.3	84.8	166.4	0	0	0	0	0	118.3
61	G	33.9	Very low	38.7	Very low	78 Å²	78	139.1 Å²	139.1	80%	0.804	77%	0.77	S	S	*	*			trans	-163.2	55.1	170.2	0	0	0	0	0	116
62	K	33.4	Very low	37.8	Very low	184 Å²	184	141.8 Å²	141.8	80%	0.8	78%	0.78	S	S	*	*			trans	1.6	119.8	162.1	-83.3	171.5	-178.8	167	0	119.8
63	R	31.8	Very low	37.3	Very low	213 Å²	213	145.3 Å²	145.3	80%	0.804	80%	0.795	S	S	*	*				83.4	138	120.4	-134.1	-174.7	-114.7	-164.3	-1.3	114.1
64	I	32.2	Very low	36.4	Very low	129 Å²	129	149 Å²	149	66%	0.662	82%	0.821	S	S	*	*			cis	-162.4	132.6	48.4	-56.9	119.8	0	0	0	110.7
65	F	34.6	Very low	36.5	Very low	201 Å²	201	151.7 Å²	151.7	88%	0.882	83%	0.83	S	S	*	*			trans	137.6	85.8	141.6	-80.8	-69.7	0	0	0	113.4
66	G	31.2	Very low	36.5	Very low	63 Å²	63	150.6 Å²	150.6	65%	0.649	83%	0.829	S	S	*	*			trans	-115.7	151.8	149.7	0	0	0	0	0	108.5
67	P	36.4	Very low	37	Very low	137 Å²	137	151.7 Å²	151.7	89%	0.89	83%	0.831	S	S	*	*			trans	-81.2	139.6	-171.4	32	-32	0	0	0	111.4
68	R	33.7	Very low	37.5	Very low	248 Å²	248	155.8 Å²	155.8	94%	0.936	84%	0.837	S	S	*	*			trans	-114.6	139	165.1	-94.1	-172.2	176.6	-173.6	-1.7	110.3
69	V	35.3	Very low	38.4	Very low	158 Å²	158	152.2 Å²	152.2	96%	0.958	82%	0.821	S	S	*	*			trans	-74.9	139.9	169.3	177.3	0	0	0	0	109.6
70	G	33.9	Very low	39.2	Very low	71 Å²	71	149.9 Å²	149.9	73%	0.732	81%	0.814	S	S	*	*			trans	153.7	101.9	166.7	0	0	0	0	0	113.3
71	N	38.8	Very low	40.3	Very low	162 Å²	162	150.5 Å²	150.5	87%	0.866	80%	0.802	S	S	*	*			trans	-51.5	146	174.8	-71.4	-25.3	0	0	0	113.8
72	E	37.9	Very low	41.3	Very low	178 Å²	178	152.5 Å²	152.5	83%	0.832	79%	0.794	S	S	*	*				-171.2	137.2	113	-103	178.3	-175.1	0	0	112.7
73	L	42.2	Very low	42.4	Very low	155 Å²	155	147 Å²	147	81%	0.812	78%	0.778	S	S	*	*			trans	47.4	111.9	161.6	-84	80.5	0	0	0	120
74	C	33.4	Very low	43.8	Very low	140 Å²	140	145.8 Å²	145.8	95%	0.946	77%	0.773	S	S	*	*				-160.2	117.7	127.3	-112.5	0	0	0	0	110.2
75	E	46	Very low	45.2	Very low	188 Å²	188	144.6 Å²	144.6	88%	0.879	77%	0.767	S	S	*	*			trans	-66.3	162.3	171.8	-73.3	-178	138.2	0	0	112.2
76	V	45.6	Very low	46.9	Very low	130 Å²	130	144.5 Å²	144.5	79%	0.788	76%	0.761	S	S	*	*			trans	105.8	125.7	160.9	-165.3	0	0	0	0	116.4	H78	V76-H78 VanDerWaalsContact C-N 3.31Å; V76-H78 PolarHBondContact O-N 2.98Å
77	K	50	Low	48.6	Very low	207 Å²	207	148.2 Å²	148.2	90%	0.9	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	19.4	-153.3	-141.7	173.6	-176.5	177.8	0	116.3
78	H	53.4	Low	50.3	Low	163 Å²	163	144.6 Å²	144.6	76%	0.755	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.7	-0	-166.3	-129	-78.8	0	0	0	115.8	V76	V76-H78 VanDerWaalsContact C-N 3.31Å; V76-H78 PolarHBondContact O-N 2.98Å
79	V	53.5	Low	52.2	Low	92 Å²	92	136.1 Å²	136.1	56%	0.558	72%	0.715	S	S	*	*	S	Bend	trans	-110.8	-11.2	-173.1	-177.7	0	0	0	0	113.5	D81 L82 C83	V79-D81 PolarHBondContact O-N 3.48Å; V79-L82 PolarHBondContact O-N 3.47Å; V79-C83 PolarHBondContact O-N 3.07Å
80	L	53.1	Low	54	Low	144 Å²	144	132 Å²	132	75%	0.754	69%	0.693	S	S	*	*	H	α-helix	trans	-66.8	-33.3	179.1	-99.3	153	0	0	0	113.4	R84	L80-R84 PolarHBondContact O-N 3.15Å
81	D	55.4	Low	56.1	Low	120 Å²	120	134.7 Å²	134.7	64%	0.642	69%	0.687	S	S	*	*	H	α-helix	trans	-74.2	-33.4	177.6	-71.4	-24.2	0	0	0	112.4	V79 R84 I85	V79-D81 PolarHBondContact O-N 3.48Å; D81-R84 PolarHBondContact O-N 3.07Å; D81-I85 WeakPolarHBondContact O-CD1 3.36Å; D81-I85 VanDerWaalsContact O-CG1 3.25Å; D81-I85 WeakPolarHBondContact O-CG1 3.47Å; D81-I85 PolarHBondContact O-N 3.4Å
82	L	55.8	Low	58.1	Low	119 Å²	119	132.4 Å²	132.4	62%	0.623	67%	0.67	S	S	*	*	H	α-helix	trans	-70.8	-35.1	178.4	-83.8	160.1	0	0	0	113	V79 R86	V79-L82 PolarHBondContact O-N 3.47Å; L82-R86 WeakPolarHBondContact O-CB 3.36Å; L82-R86 PolarHBondContact O-N 3.45Å
83	C	55.3	Low	60	Low	69 Å²	69	129.1 Å²	129.1	47%	0.466	66%	0.658	S	S	.	*	H	α-helix	trans	-69.3	-36.2	174.4	-74.9	0	0	0	0	112.1	V79 R86 E87	V79-C83 PolarHBondContact O-N 3.07Å; C83-R86 PolarHBondContact O-N 3Å; C83-E87 PolarHBondContact O-N 3.4Å
84	R	62	Low	61.8	Low	188 Å²	188	127.3 Å²	127.3	71%	0.709	65%	0.649	S	S	*	*	H	α-helix	trans	-69.2	-39.1	177.4	-141.6	178	-167.5	172.2	2.4	112.4	L80 D81 S88	L80-R84 PolarHBondContact O-N 3.15Å; D81-R84 PolarHBondContact O-N 3.07Å; R84-S88 WeakPolarHBondContact O-CB 3.43Å; R84-S88 PolarHBondContact O-N 3.04Å
85	I	62.7	Low	64.2	Low	103 Å²	103	126.7 Å²	126.7	53%	0.528	63%	0.632	S	S	.	*	H	α-helix	trans	-65.7	-40.6	173.5	-66.9	165.5	0	0	0	110.4	D81 S88 V89	D81-I85 WeakPolarHBondContact O-CD1 3.36Å; D81-I85 VanDerWaalsContact O-CG1 3.25Å; D81-I85 WeakPolarHBondContact O-CG1 3.47Å; D81-I85 PolarHBondContact O-N 3.4Å; I85-S88 PolarHBondContact O-N 3.38Å; I85-V89 HydrophobicContact CG2-CG2 4.03Å; I85-V89 VanDerWaalsContact O-CB 3.31Å; I85-V89 WeakPolarHBondContact O-CB 3.45Å; I85-V89 WeakPolarHBondContact O-CG2 3.39Å; I85-V89 PolarHBondContact O-N 2.98Å
86	R	68.4	Low	66	Low	199 Å²	199	123.1 Å²	123.1	75%	0.751	62%	0.618	S	S	*	*	H	α-helix	trans	-62.7	-42.4	177.2	178.4	-175.5	158.3	-170.1	-6.4	112.5	L82 C83 S90	L82-R86 WeakPolarHBondContact O-CB 3.36Å; L82-R86 PolarHBondContact O-N 3.45Å; C83-R86 PolarHBondContact O-N 3Å; R86-S90 VanDerWaalsContact O-CB 3.26Å; R86-S90 WeakPolarHBondContact O-CB 3.49Å; R86-S90 PolarHBondContact O-N 2.97Å
87	E	67	Low	67.7	Low	141 Å²	141	122.3 Å²	122.3	66%	0.659	61%	0.606	S	S	*	*	H	α-helix	trans	-66.5	-45	176.2	-77.6	177.2	163.8	0	0	111.5	C83 V89 S90 E91	C83-E87 PolarHBondContact O-N 3.4Å; E87-V89 PolarHBondContact O-N 3.22Å; E87-S90 PolarHBondContact O-N 3Å; E87-E91 PolarHBondContact O-N 3.25Å
88	S	73.1	Confident	69.4	Low	62 Å²	62	115 Å²	115	43%	0.434	58%	0.584	S	S	.	*	H	α-helix	trans	-61.1	-43.8	176.2	-171.6	0	0	0	0	112.8	R84 I85 E91 E92	R84-S88 WeakPolarHBondContact O-CB 3.43Å; R84-S88 PolarHBondContact O-N 3.04Å; I85-S88 PolarHBondContact O-N 3.38Å; S88-E91 PolarHBondContact O-N 2.68Å; S88-E92 PolarHBondContact O-N 3.47Å
89	V	73.9	Confident	71	Confident	69 Å²	69	113.5 Å²	113.5	42%	0.418	58%	0.575	S	S	.	*	H	α-helix	trans	-69.8	-34.7	179.3	170.8	0	0	0	0	111.1	I85 E87 L93	I85-V89 HydrophobicContact CG2-CG2 4.03Å; I85-V89 VanDerWaalsContact O-CB 3.31Å; I85-V89 WeakPolarHBondContact O-CB 3.45Å; I85-V89 WeakPolarHBondContact O-CG2 3.39Å; I85-V89 PolarHBondContact O-N 2.98Å; E87-V89 PolarHBondContact O-N 3.22Å; V89-L93 HydrophobicContact CG1-CD1 4.12Å; V89-L93 VanDerWaalsContact O-CB 3.31Å; V89-L93 WeakPolarHBondContact O-CB 3.48Å; V89-L93 PolarHBondContact O-N 2.99Å
90	S	73.6	Confident	72.6	Confident	71 Å²	71	117.2 Å²	117.2	50%	0.497	58%	0.579	S	S	.	*	H	α-helix	trans	-66.5	-38.6	174.7	-173.3	0	0	0	0	111.9	R86 E87 L94	R86-S90 VanDerWaalsContact O-CB 3.26Å; R86-S90 WeakPolarHBondContact O-CB 3.49Å; R86-S90 PolarHBondContact O-N 2.97Å; E87-S90 PolarHBondContact O-N 3Å; S90-L94 WeakPolarHBondContact O-CB 3.38Å; S90-L94 PolarHBondContact O-N 3.19Å; S90-L94 VanDerWaalsContact O-N 3.12Å
91	E	77.1	Confident	74.1	Confident	129 Å²	129	116.7 Å²	116.7	60%	0.603	57%	0.573	S	S	*	*	H	α-helix	trans	-72.3	-40.8	178.9	-161.2	170.1	-169.3	0	0	111.4	E87 S88 L94 Q95	E87-E91 PolarHBondContact O-N 3.25Å; S88-E91 PolarHBondContact O-N 2.68Å; E91-L94 PolarHBondContact O-N 2.97Å; E91-Q95 WeakPolarHBondContact O-CG 3.31Å; E91-Q95 PolarHBondContact O-N 3.49Å
92	E	80.9	Confident	75.7	Confident	113 Å²	113	116.7 Å²	116.7	53%	0.528	57%	0.569	S	S	.	*	H	α-helix	trans	-62.7	-40.6	171.5	-78.1	-173.5	174.5	0	0	112.5	S88 L94 Q95 L96	S88-E92 PolarHBondContact O-N 3.47Å; E92-L94 VanDerWaalsContact C-N 3.32Å; E92-L94 PolarHBondContact O-N 2.94Å; E92-Q95 PolarHBondContact O-N 3.42Å; E92-L96 WeakPolarHBondContact O-CB 3.26Å; E92-L96 VanDerWaalsContact O-CG 3.28Å; E92-L96 WeakPolarHBondContact O-CG 3.43Å; E92-L96 PolarHBondContact O-N 3.43Å
93	L	78.4	Confident	77.2	Confident	109 Å²	109	115.3 Å²	115.3	57%	0.571	56%	0.562	S	S	*	*	H	α-helix	trans	-60.9	-41.9	175.2	-102.9	155.6	0	0	0	111.8	V89 L96 E97	V89-L93 HydrophobicContact CG1-CD1 4.12Å; V89-L93 VanDerWaalsContact O-CB 3.31Å; V89-L93 WeakPolarHBondContact O-CB 3.48Å; V89-L93 PolarHBondContact O-N 2.99Å; L93-L96 PolarHBondContact O-N 3Å; L93-E97 WeakPolarHBondContact O-CB 3.41Å; L93-E97 PolarHBondContact O-N 3.3Å
94	L	80.1	Confident	78.7	Confident	118 Å²	118	116 Å²	116	62%	0.618	56%	0.561	S	S	*	*	H	α-helix	trans	-69.2	-38.1	179.8	-142.9	152.8	0	0	0	111.2	S90 E91 E92 E97 A98	S90-L94 WeakPolarHBondContact O-CB 3.38Å; S90-L94 PolarHBondContact O-N 3.19Å; S90-L94 VanDerWaalsContact O-N 3.12Å; E91-L94 PolarHBondContact O-N 2.97Å; E92-L94 VanDerWaalsContact C-N 3.32Å; E92-L94 PolarHBondContact O-N 2.94Å; L94-E97 PolarHBondContact O-N 3.45Å; L94-A98 WeakPolarHBondContact O-CB 3.43Å; L94-A98 PolarHBondContact O-N 3.37Å
95	Q	82.9	Confident	79.9	Confident	127 Å²	127	109.7 Å²	109.7	59%	0.593	55%	0.545	S	S	*	.	H	α-helix	trans	-66.6	-41	172.2	-72.9	-178.7	4.9	0	0	112.7	E91 E92 E97 A98 K99	E91-Q95 WeakPolarHBondContact O-CG 3.31Å; E91-Q95 PolarHBondContact O-N 3.49Å; E92-Q95 PolarHBondContact O-N 3.42Å; Q95-E97 VanDerWaalsContact C-N 3.33Å; Q95-A98 PolarHBondContact O-N 2.85Å; Q95-K99 WeakPolarHBondContact O-CB 3.47Å; Q95-K99 PolarHBondContact O-N 2.98Å
96	L	83.1	Confident	81.3	Confident	112 Å²	112	109.7 Å²	109.7	59%	0.586	54%	0.543	S	S	*	.	H	α-helix	trans	-66.1	-35.9	175.8	-76.2	170.6	0	0	0	111.8	E92 L93 K99 R100	E92-L96 WeakPolarHBondContact O-CB 3.26Å; E92-L96 VanDerWaalsContact O-CG 3.28Å; E92-L96 WeakPolarHBondContact O-CG 3.43Å; E92-L96 PolarHBondContact O-N 3.43Å; L93-L96 PolarHBondContact O-N 3Å; L96-K99 PolarHBondContact O-N 3.46Å; L96-R100 VanDerWaalsContact O-CB 3.29Å; L96-R100 WeakPolarHBondContact O-CB 3.46Å; L96-R100 PolarHBondContact O-N 3.31Å
97	E	83.1	Confident	82.3	Confident	114 Å²	114	104.2 Å²	104.2	53%	0.533	53%	0.528	S	S	.	.	H	α-helix	trans	-69.1	-41.4	175.7	-168.1	165.9	-158.8	0	0	111.9	L93 L94 Q95 R100 Q101	L93-E97 WeakPolarHBondContact O-CB 3.41Å; L93-E97 PolarHBondContact O-N 3.3Å; L94-E97 PolarHBondContact O-N 3.45Å; Q95-E97 VanDerWaalsContact C-N 3.33Å; E97-R100 WeakPolarHBondContact O-CB 3.5Å; E97-R100 PolarHBondContact O-N 2.89Å; E97-Q101 PolarHBondContact O-N 2.94Å
98	A	83.8	Confident	83.4	Confident	53 Å²	53	99.9 Å²	99.9	44%	0.438	52%	0.516	S	S	.	.	H	α-helix	trans	-60.7	-45.4	172.1	0	0	0	0	0	111.9	L94 Q95 R100 Q101 E102	L94-A98 WeakPolarHBondContact O-CB 3.43Å; L94-A98 PolarHBondContact O-N 3.37Å; Q95-A98 PolarHBondContact O-N 2.85Å; A98-R100 VanDerWaalsContact C-N 3.32Å; A98-R100 PolarHBondContact O-N 3.36Å; A98-Q101 PolarHBondContact O-N 3.37Å; A98-E102 PolarHBondContact O-N 2.98Å
99	K	87.3	Confident	84.3	Confident	132 Å²	132	103.5 Å²	103.5	57%	0.574	52%	0.524	S	S	*	.	H	α-helix	trans	-64.6	-35.6	177.1	-164	172.7	-172.4	174.9	0	112.3	Q95 L96 E102 L103	Q95-K99 WeakPolarHBondContact O-CB 3.47Å; Q95-K99 PolarHBondContact O-N 2.98Å; L96-K99 PolarHBondContact O-N 3.46Å; K99-E102 PolarHBondContact O-N 2.98Å; K99-L103 HydrophobicContact CG-CD1 4.47Å; K99-L103 WeakPolarHBondContact O-CB 3.45Å; K99-L103 WeakPolarHBondContact O-CG 3.45Å; K99-L103 PolarHBondContact O-N 3.29Å
100	R	87.2	Confident	85.1	Confident	170 Å²	170	105.1 Å²	105.1	64%	0.642	53%	0.53	S	S	*	.	H	α-helix	trans	-65.4	-41.2	173.6	-175.8	-176.2	177.9	-160.4	-0.8	111.6	L96 E97 A98 N104	L96-R100 VanDerWaalsContact O-CB 3.29Å; L96-R100 WeakPolarHBondContact O-CB 3.46Å; L96-R100 PolarHBondContact O-N 3.31Å; E97-R100 WeakPolarHBondContact O-CB 3.5Å; E97-R100 PolarHBondContact O-N 2.89Å; A98-R100 VanDerWaalsContact C-N 3.32Å; A98-R100 PolarHBondContact O-N 3.36Å; R100-N104 WeakPolarHBondContact O-CB 3.39Å; R100-N104 PolarHBondContact O-N 3.12Å; R100-N104 PolarHBondContact O-ND2 3.36Å
101	Q	85	Confident	85.9	Confident	132 Å²	132	105.9 Å²	105.9	62%	0.617	53%	0.529	S	S	*	.	H	α-helix	trans	-65.6	-40.9	175.9	-74.6	-175.5	-4.5	0	0	111.9	E97 A98 N104 S105	E97-Q101 PolarHBondContact O-N 2.94Å; A98-Q101 PolarHBondContact O-N 3.37Å; Q101-N104 PolarHBondContact O-N 3.07Å; Q101-S105 PolarHBondContact O-N 3.31Å
102	E	88.4	Confident	86.6	Confident	121 Å²	121	105.2 Å²	105.2	57%	0.565	53%	0.528	S	S	*	.	H	α-helix	trans	-61.2	-50.6	175.6	-173.1	175.9	-165.2	0	0	111.7	A98 K99 N104 S105 E106	A98-E102 PolarHBondContact O-N 2.98Å; K99-E102 PolarHBondContact O-N 2.98Å; E102-N104 VanDerWaalsContact C-N 3.33Å; E102-N104 PolarHBondContact O-N 3.05Å; E102-S105 WeakPolarHBondContact O-CA 3.42Å; E102-S105 WeakPolarHBondContact O-CB 3.41Å; E102-S105 PolarHBondContact O-N 3.39Å; E102-S105 PolarHBondContact O-OG 2.98Å; E102-E106 PolarHBondContact O-N 3.03Å
103	L	87.8	Confident	87.1	Confident	89 Å²	89	107 Å²	107	47%	0.466	53%	0.534	S	S	.	.	H	α-helix	trans	-59.6	-41.2	176.1	-77.6	167.1	0	0	0	112.3	K99 S105 E106 I107	K99-L103 HydrophobicContact CG-CD1 4.47Å; K99-L103 WeakPolarHBondContact O-CB 3.45Å; K99-L103 WeakPolarHBondContact O-CG 3.45Å; K99-L103 PolarHBondContact O-N 3.29Å; L103-S105 VanDerWaalsContact C-N 3.28Å; L103-S105 PolarHBondContact O-N 3.45Å; L103-E106 PolarHBondContact O-N 3.42Å; L103-I107 WeakPolarHBondContact O-CB 3.4Å; L103-I107 VanDerWaalsContact O-CG1 3.24Å; L103-I107 WeakPolarHBondContact O-CG1 3.29Å; L103-I107 PolarHBondContact O-N 3.42Å
104	N	86.6	Confident	87.8	Confident	85 Å²	85	105.8 Å²	105.8	46%	0.455	53%	0.528	S	S	.	.	H	α-helix	trans	-63.5	-35.2	175.3	-76.8	-25.6	0	0	0	112.2	R100 Q101 E102 A108	R100-N104 WeakPolarHBondContact O-CB 3.39Å; R100-N104 PolarHBondContact O-N 3.12Å; R100-N104 PolarHBondContact O-ND2 3.36Å; Q101-N104 PolarHBondContact O-N 3.07Å; E102-N104 VanDerWaalsContact C-N 3.33Å; E102-N104 PolarHBondContact O-N 3.05Å; N104-A108 WeakPolarHBondContact O-CB 3.49Å; N104-A108 PolarHBondContact O-N 3.04Å
105	S	88.2	Confident	88.3	Confident	54 Å²	54	106.3 Å²	106.3	38%	0.378	53%	0.527	S	S	.	.	H	α-helix	trans	-68.5	-37.2	175.3	86.6	0	0	0	0	112.2	Q101 E102 L103 A108 K109	Q101-S105 PolarHBondContact O-N 3.31Å; E102-S105 WeakPolarHBondContact O-CA 3.42Å; E102-S105 WeakPolarHBondContact O-CB 3.41Å; E102-S105 PolarHBondContact O-N 3.39Å; E102-S105 PolarHBondContact O-OG 2.98Å; L103-S105 VanDerWaalsContact C-N 3.28Å; L103-S105 PolarHBondContact O-N 3.45Å; S105-A108 PolarHBondContact O-N 2.87Å; S105-K109 WeakPolarHBondContact O-CG 3.33Å; S105-K109 PolarHBondContact O-N 3.35Å; S105-K109 VanDerWaalsContact O-N 3.07Å
106	E	91.7	Very high	88.7	Confident	103 Å²	103	103.2 Å²	103.2	48%	0.481	52%	0.523	S	S	.	.	H	α-helix	trans	-68.5	-43.1	174.2	-75.1	-165.4	143.2	0	0	111.9	E102 L103 A108 K109 L110	E102-E106 PolarHBondContact O-N 3.03Å; L103-E106 PolarHBondContact O-N 3.42Å; E106-A108 VanDerWaalsContact C-N 3.27Å; E106-A108 PolarHBondContact O-N 3.1Å; E106-K109 PolarHBondContact O-N 3Å; E106-K109 VanDerWaalsContact O-N 3.15Å; E106-L110 WeakPolarHBondContact O-CG 3.49Å; E106-L110 PolarHBondContact O-N 3.34Å
107	I	89.4	Confident	89	Confident	84 Å²	84	101.3 Å²	101.3	43%	0.431	52%	0.518	S	S	.	.	H	α-helix	trans	-58	-42.9	174.4	-70	164.9	0	0	0	110.2	L103 L110 N111	L103-I107 WeakPolarHBondContact O-CB 3.4Å; L103-I107 VanDerWaalsContact O-CG1 3.24Å; L103-I107 WeakPolarHBondContact O-CG1 3.29Å; L103-I107 PolarHBondContact O-N 3.42Å; I107-L110 PolarHBondContact O-N 2.97Å; I107-N111 WeakPolarHBondContact O-CB 3.29Å; I107-N111 VanDerWaalsContact O-CG 3.31Å; I107-N111 PolarHBondContact O-N 3.18Å; I107-N111 PolarHBondContact O-ND2 2.98Å
108	A	90.1	Very high	89.5	Confident	50 Å²	50	102.5 Å²	102.5	41%	0.413	52%	0.522	S	S	.	.	H	α-helix	trans	-62.6	-42.5	176	0	0	0	0	0	112.5	N104 S105 E106 N111 L112	N104-A108 WeakPolarHBondContact O-CB 3.49Å; N104-A108 PolarHBondContact O-N 3.04Å; S105-A108 PolarHBondContact O-N 2.87Å; E106-A108 VanDerWaalsContact C-N 3.27Å; E106-A108 PolarHBondContact O-N 3.1Å; A108-N111 PolarHBondContact O-N 3.33Å; A108-L112 PolarHBondContact O-N 3.36Å
109	K	91.2	Very high	89.9	Confident	139 Å²	139	107.1 Å²	107.1	60%	0.604	53%	0.532	S	S	*	.	H	α-helix	trans	-64.1	-40.8	175	-74.1	174.5	-176.3	169.2	0	112.3	S105 E106 L112 K113	S105-K109 WeakPolarHBondContact O-CG 3.33Å; S105-K109 PolarHBondContact O-N 3.35Å; S105-K109 VanDerWaalsContact O-N 3.07Å; E106-K109 PolarHBondContact O-N 3Å; E106-K109 VanDerWaalsContact O-N 3.15Å; K109-L112 PolarHBondContact O-N 3.4Å; K109-K113 PolarHBondContact O-N 3.03Å; K109-K113 VanDerWaalsContact O-N 3.12Å
110	L	90.6	Very high	90.1	Very high	102 Å²	102	104.4 Å²	104.4	53%	0.534	53%	0.529	S	S	.	.	H	α-helix	trans	-66.4	-40.7	176.8	-73.6	169.6	0	0	0	111.3	E106 I107 L112 K113 I114	E106-L110 WeakPolarHBondContact O-CG 3.49Å; E106-L110 PolarHBondContact O-N 3.34Å; I107-L110 PolarHBondContact O-N 2.97Å; L110-L112 PolarHBondContact O-N 3.42Å; L110-K113 WeakPolarHBondContact O-CB 3.47Å; L110-K113 PolarHBondContact O-N 3.33Å; L110-I114 WeakPolarHBondContact O-CG1 3.24Å; L110-I114 PolarHBondContact O-N 2.85Å
111	N	91.3	Very high	90.3	Very high	88 Å²	88	100.4 Å²	100.4	47%	0.471	52%	0.52	S	S	.	.	H	α-helix	trans	-62.2	-41.6	175.5	-76.8	-28.5	0	0	0	112.4	I107 A108 K113 I114 E115	I107-N111 WeakPolarHBondContact O-CB 3.29Å; I107-N111 VanDerWaalsContact O-CG 3.31Å; I107-N111 PolarHBondContact O-N 3.18Å; I107-N111 PolarHBondContact O-ND2 2.98Å; A108-N111 PolarHBondContact O-N 3.33Å; N111-K113 VanDerWaalsContact C-N 3.33Å; N111-K113 PolarHBondContact O-N 3.35Å; N111-I114 WeakPolarHBondContact O-CB 3.41Å; N111-I114 PolarHBondContact O-N 3.45Å; N111-E115 PolarHBondContact O-N 3.45Å
112	L	92.4	Very high	90.6	Very high	114 Å²	114	98.6 Å²	98.6	60%	0.597	51%	0.511	S	S	*	.	H	α-helix	trans	-61.6	-39.5	173.5	-76.8	167.7	0	0	0	112.3	A108 K109 L110 E115 A116	A108-L112 PolarHBondContact O-N 3.36Å; K109-L112 PolarHBondContact O-N 3.4Å; L110-L112 PolarHBondContact O-N 3.42Å; L112-E115 PolarHBondContact O-N 3.36Å; L112-A116 WeakPolarHBondContact O-CB 3.48Å; L112-A116 PolarHBondContact O-N 2.94Å
113	K	91.6	Very high	90.7	Very high	150 Å²	150	96.6 Å²	96.6	65%	0.652	51%	0.505	S	S	*	.	H	α-helix	trans	-65.4	-39.2	173.7	-75	-177.5	178	-179.2	0	112	K109 L110 N111 A116 C117	K109-K113 PolarHBondContact O-N 3.03Å; K109-K113 VanDerWaalsContact O-N 3.12Å; L110-K113 WeakPolarHBondContact O-CB 3.47Å; L110-K113 PolarHBondContact O-N 3.33Å; N111-K113 VanDerWaalsContact C-N 3.33Å; N111-K113 PolarHBondContact O-N 3.35Å; K113-A116 PolarHBondContact O-N 2.9Å; K113-C117 VanDerWaalsContact O-CB 3.29Å; K113-C117 WeakPolarHBondContact O-CB 3.42Å; K113-C117 PolarHBondContact O-N 3.43Å
114	I	92.3	Very high	90.6	Very high	85 Å²	85	94.9 Å²	94.9	44%	0.436	50%	0.504	S	S	.	.	H	α-helix	trans	-63.2	-44.2	176.2	-70.2	166	0	0	0	110.5	L110 N111 C117 K118	L110-I114 WeakPolarHBondContact O-CG1 3.24Å; L110-I114 PolarHBondContact O-N 2.85Å; N111-I114 WeakPolarHBondContact O-CB 3.41Å; N111-I114 PolarHBondContact O-N 3.45Å; I114-C117 PolarHBondContact O-N 2.93Å; I114-K118 HydrophobicContact CG2-CD 4.32Å; I114-K118 WeakPolarHBondContact O-CB 3.28Å; I114-K118 WeakPolarHBondContact O-CG 3.45Å; I114-K118 PolarHBondContact O-N 3.17Å
115	E	91.7	Very high	90.8	Very high	129 Å²	129	96 Å²	96	60%	0.603	50%	0.504	S	S	*	.	H	α-helix	trans	-64.5	-43	176.3	-78.5	-175.5	157.7	0	0	112.5	N111 L112 C117 K118 K119	N111-E115 PolarHBondContact O-N 3.45Å; L112-E115 PolarHBondContact O-N 3.36Å; E115-C117 VanDerWaalsContact C-N 3.32Å; E115-C117 PolarHBondContact O-N 3.29Å; E115-K118 PolarHBondContact O-N 2.89Å; E115-K119 WeakPolarHBondContact O-CB 3.36Å; E115-K119 PolarHBondContact O-N 3.12Å
116	A	91.3	Very high	90.9	Very high	62 Å²	62	99.3 Å²	99.3	51%	0.512	51%	0.514	S	S	.	.	H	α-helix	trans	-60.8	-42.4	174.8	0	0	0	0	0	111.7	L112 K113 K119 S120	L112-A116 WeakPolarHBondContact O-CB 3.48Å; L112-A116 PolarHBondContact O-N 2.94Å; K113-A116 PolarHBondContact O-N 2.9Å; A116-K119 PolarHBondContact O-N 2.88Å; A116-S120 PolarHBondContact O-N 2.89Å
117	C	89.4	Confident	90.6	Very high	72 Å²	72	98.9 Å²	98.9	49%	0.486	52%	0.515	S	S	.	.	H	α-helix	trans	-66.2	-44.2	177	-164.2	0	0	0	0	111.7	K113 I114 E115 K119 S120 I121	K113-C117 VanDerWaalsContact O-CB 3.29Å; K113-C117 WeakPolarHBondContact O-CB 3.42Å; K113-C117 PolarHBondContact O-N 3.43Å; I114-C117 PolarHBondContact O-N 2.93Å; E115-C117 VanDerWaalsContact C-N 3.32Å; E115-C117 PolarHBondContact O-N 3.29Å; C117-K119 VanDerWaalsContact C-N 3.32Å; C117-K119 PolarHBondContact O-N 3.33Å; C117-S120 WeakPolarHBondContact O-CB 3.18Å; C117-S120 PolarHBondContact O-N 3.38Å; C117-I121 WeakPolarHBondContact O-CG1 3.48Å; C117-I121 PolarHBondContact O-N 3.39Å
118	K	92.6	Very high	90.4	Very high	139 Å²	139	100.3 Å²	100.3	60%	0.604	52%	0.523	S	S	*	.	H	α-helix	trans	-58	-43.6	174.2	-80.1	-178.8	178.5	179.7	0	112.1	I114 E115 I121 E122	I114-K118 HydrophobicContact CG2-CD 4.32Å; I114-K118 WeakPolarHBondContact O-CB 3.28Å; I114-K118 WeakPolarHBondContact O-CG 3.45Å; I114-K118 PolarHBondContact O-N 3.17Å; E115-K118 PolarHBondContact O-N 2.89Å; K118-I121 PolarHBondContact O-N 3.44Å; K118-E122 PolarHBondContact O-N 3.18Å
119	K	92.8	Very high	90.4	Very high	149 Å²	149	102.9 Å²	102.9	65%	0.648	53%	0.529	S	S	*	.	H	α-helix	trans	-64.4	-40.9	176.9	-169.7	177.4	-178.2	179.2	0	111.8	E115 A116 C117 E122 N123	E115-K119 WeakPolarHBondContact O-CB 3.36Å; E115-K119 PolarHBondContact O-N 3.12Å; A116-K119 PolarHBondContact O-N 2.88Å; C117-K119 VanDerWaalsContact C-N 3.32Å; C117-K119 PolarHBondContact O-N 3.33Å; K119-E122 PolarHBondContact O-N 2.85Å; K119-N123 PolarHBondContact O-N 3.41Å
120	S	91.1	Very high	90.2	Very high	75 Å²	75	102.4 Å²	102.4	52%	0.524	53%	0.529	S	S	.	.	H	α-helix	trans	-61.1	-43.8	174.4	-170.3	0	0	0	0	112	A116 C117 E122 N123 A124	A116-S120 PolarHBondContact O-N 2.89Å; C117-S120 WeakPolarHBondContact O-CB 3.18Å; C117-S120 PolarHBondContact O-N 3.38Å; S120-E122 PolarHBondContact O-N 3Å; S120-N123 PolarHBondContact O-N 3.33Å; S120-A124 WeakPolarHBondContact O-CB 3.31Å; S120-A124 PolarHBondContact O-N 3.13Å
121	I	91.3	Very high	89.7	Confident	86 Å²	86	102.9 Å²	102.9	44%	0.441	53%	0.532	S	S	.	.	H	α-helix	trans	-61.2	-43.5	176.7	-69.7	166	0	0	0	111.2	C117 K118 A124 K125	C117-I121 WeakPolarHBondContact O-CG1 3.48Å; C117-I121 PolarHBondContact O-N 3.39Å; K118-I121 PolarHBondContact O-N 3.44Å; I121-A124 PolarHBondContact O-N 3.17Å; I121-K125 HydrophobicContact CG2-CD 4.37Å; I121-K125 WeakPolarHBondContact O-CG 3.14Å; I121-K125 PolarHBondContact O-N 3.02Å
122	E	90.4	Very high	89.2	Confident	94 Å²	94	105.4 Å²	105.4	44%	0.439	54%	0.538	S	S	.	.	H	α-helix	trans	-69.2	-37	178.6	-74.7	-50.3	147.2	0	0	113.2	K118 K119 S120 K125 Q126	K118-E122 PolarHBondContact O-N 3.18Å; K119-E122 PolarHBondContact O-N 2.85Å; S120-E122 PolarHBondContact O-N 3Å; E122-K125 PolarHBondContact O-N 2.9Å; E122-K125 IonicContact OE1-NZ 2.94Å; E122-K125 PolarHBondContact OE1-NZ 3.46Å; E122-K125 WeakPolarHBondContact OE2-CD 3.5Å; E122-K125 IonicContact OE2-NZ 3.9Å; E122-Q126 WeakPolarHBondContact O-CG 3.41Å; E122-Q126 PolarHBondContact O-N 2.85Å
123	N	91.2	Very high	88.6	Confident	79 Å²	79	104.6 Å²	104.6	42%	0.422	54%	0.535	S	S	.	.	H	α-helix	trans	-61.3	-47.5	171.3	-70.8	-5.4	0	0	0	111	K119 S120 K125 Q126 D127	K119-N123 PolarHBondContact O-N 3.41Å; S120-N123 PolarHBondContact O-N 3.33Å; N123-K125 VanDerWaalsContact C-N 3.29Å; N123-K125 PolarHBondContact O-N 3.15Å; N123-Q126 WeakPolarHBondContact O-CB 3.45Å; N123-Q126 PolarHBondContact O-N 3.06Å; N123-Q126 VanDerWaalsContact O-N 3.1Å; N123-D127 PolarHBondContact O-N 3.04Å
124	A	86.7	Confident	88.2	Confident	54 Å²	54	101 Å²	101	45%	0.446	53%	0.525	S	S	.	.	H	α-helix	trans	-61.5	-36.1	178	0	0	0	0	0	112.5	S120 I121 L128	S120-A124 WeakPolarHBondContact O-CB 3.31Å; S120-A124 PolarHBondContact O-N 3.13Å; I121-A124 PolarHBondContact O-N 3.17Å; A124-L128 VanDerWaalsContact O-CB 3.31Å; A124-L128 WeakPolarHBondContact O-CB 3.25Å; A124-L128 PolarHBondContact O-N 3.35Å
125	K	89.6	Confident	87.3	Confident	107 Å²	107	100.1 Å²	100.1	47%	0.465	52%	0.52	S	S	.	.	H	α-helix	trans	-65.7	-41.6	172.9	-78.9	176	-177.5	173.7	0	112.3	I121 E122 N123 L128 L129	I121-K125 HydrophobicContact CG2-CD 4.37Å; I121-K125 WeakPolarHBondContact O-CG 3.14Å; I121-K125 PolarHBondContact O-N 3.02Å; E122-K125 PolarHBondContact O-N 2.9Å; E122-K125 IonicContact OE1-NZ 2.94Å; E122-K125 PolarHBondContact OE1-NZ 3.46Å; E122-K125 WeakPolarHBondContact OE2-CD 3.5Å; E122-K125 IonicContact OE2-NZ 3.9Å; N123-K125 VanDerWaalsContact C-N 3.29Å; N123-K125 PolarHBondContact O-N 3.15Å; K125-L128 PolarHBondContact O-N 3.24Å; K125-L129 WeakPolarHBondContact O-CB 3.45Å; K125-L129 PolarHBondContact O-N 3.12Å
126	Q	89.8	Confident	86.5	Confident	125 Å²	125	97.3 Å²	97.3	58%	0.584	52%	0.515	S	S	*	.	H	α-helix	trans	-64.2	-44.6	175.9	-76.2	-175	-13.2	0	0	111.4	E122 N123 L128 L129 Q130	E122-Q126 WeakPolarHBondContact O-CG 3.41Å; E122-Q126 PolarHBondContact O-N 2.85Å; N123-Q126 WeakPolarHBondContact O-CB 3.45Å; N123-Q126 PolarHBondContact O-N 3.06Å; N123-Q126 VanDerWaalsContact O-N 3.1Å; Q126-L128 VanDerWaalsContact C-N 3.31Å; Q126-L128 PolarHBondContact O-N 3.34Å; Q126-L129 WeakPolarHBondContact O-CB 3.49Å; Q126-L129 PolarHBondContact O-N 2.93Å; Q126-Q130 PolarHBondContact O-N 3.42Å
127	D	86.1	Confident	85.8	Confident	94 Å²	94	101.1 Å²	101.1	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-60.3	-42.2	176	-68.5	-20.7	0	0	0	111.1	N123 Q130 L131	N123-D127 PolarHBondContact O-N 3.04Å; D127-Q130 PolarHBondContact O-N 3.48Å; D127-L131 WeakPolarHBondContact O-CB 3.31Å; D127-L131 PolarHBondContact O-N 3.4Å
128	L	86.3	Confident	84.7	Confident	114 Å²	114	101.3 Å²	101.3	60%	0.597	52%	0.521	S	S	*	.	H	α-helix	trans	-62.1	-45.2	175.7	-168.1	161.7	0	0	0	111.6	A124 K125 Q126 Q130 L131 K132	A124-L128 VanDerWaalsContact O-CB 3.31Å; A124-L128 WeakPolarHBondContact O-CB 3.25Å; A124-L128 PolarHBondContact O-N 3.35Å; K125-L128 PolarHBondContact O-N 3.24Å; Q126-L128 VanDerWaalsContact C-N 3.31Å; Q126-L128 PolarHBondContact O-N 3.34Å; L128-Q130 VanDerWaalsContact C-N 3.33Å; L128-Q130 PolarHBondContact O-N 3.29Å; L128-L131 PolarHBondContact O-N 3.22Å; L128-K132 WeakPolarHBondContact O-CB 3.47Å; L128-K132 PolarHBondContact O-N 2.77Å
129	L	88.2	Confident	83.7	Confident	104 Å²	104	97.2 Å²	97.2	55%	0.545	50%	0.504	S	S	.	.	H	α-helix	trans	-60.3	-42.6	175.3	-98.8	153.5	0	0	0	112	K125 Q126 K132 N133	K125-L129 WeakPolarHBondContact O-CB 3.45Å; K125-L129 PolarHBondContact O-N 3.12Å; Q126-L129 WeakPolarHBondContact O-CB 3.49Å; Q126-L129 PolarHBondContact O-N 2.93Å; L129-K132 PolarHBondContact O-N 3.49Å; L129-N133 PolarHBondContact O-N 2.7Å; L129-N133 VanDerWaalsContact O-N 3.12Å; L129-N133 PolarHBondContact O-ND2 3.42Å
130	Q	88.2	Confident	82.7	Confident	129 Å²	129	95.4 Å²	95.4	60%	0.603	50%	0.498	S	S	*	.	H	α-helix	trans	-66.3	-45	177.7	-169.5	173.6	-4.9	0	0	111.4	Q126 D127 L128 K132 N133 V134	Q126-Q130 PolarHBondContact O-N 3.42Å; D127-Q130 PolarHBondContact O-N 3.48Å; L128-Q130 VanDerWaalsContact C-N 3.33Å; L128-Q130 PolarHBondContact O-N 3.29Å; Q130-K132 VanDerWaalsContact C-N 3.31Å; Q130-K132 PolarHBondContact O-N 2.89Å; Q130-N133 PolarHBondContact O-N 2.84Å; Q130-V134 WeakPolarHBondContact O-CG2 3.36Å; Q130-V134 PolarHBondContact O-N 2.95Å
131	L	79.8	Confident	81.7	Confident	112 Å²	112	94.4 Å²	94.4	59%	0.586	49%	0.491	S	S	*	.	H	α-helix	trans	-58.1	-44.9	174.4	-119	98.2	0	0	0	111.3	D127 L128 N133 V134 I135	D127-L131 WeakPolarHBondContact O-CB 3.31Å; D127-L131 PolarHBondContact O-N 3.4Å; L128-L131 PolarHBondContact O-N 3.22Å; L131-N133 VanDerWaalsContact C-N 3.29Å; L131-N133 PolarHBondContact O-N 2.85Å; L131-V134 PolarHBondContact O-N 2.91Å; L131-V134 VanDerWaalsContact O-N 3.17Å; L131-I135 HydrophobicContact CD2-CD1 4.39Å; L131-I135 VanDerWaalsContact O-CG1 3.29Å; L131-I135 WeakPolarHBondContact O-CG1 3.29Å; L131-I135 PolarHBondContact O-N 3.42Å
132	K	81.2	Confident	80.5	Confident	140 Å²	140	93.3 Å²	93.3	61%	0.609	48%	0.482	S	S	*	.	H	α-helix	trans	-59.4	-40.3	179.3	-171.4	175.2	-179	177.1	0	112	L128 L129 Q130 S136	L128-K132 WeakPolarHBondContact O-CB 3.47Å; L128-K132 PolarHBondContact O-N 2.77Å; L129-K132 PolarHBondContact O-N 3.49Å; Q130-K132 VanDerWaalsContact C-N 3.31Å; Q130-K132 PolarHBondContact O-N 2.89Å; K132-S136 WeakPolarHBondContact O-CB 3.39Å; K132-S136 PolarHBondContact O-N 3.39Å
133	N	80.2	Confident	79.4	Confident	97 Å²	97	94.5 Å²	94.5	52%	0.519	49%	0.485	S	S	.	.	H	α-helix	trans	-67.7	-42	175.8	-71.8	-21.6	0	0	0	112.2	L129 Q130 L131 S136 Q137	L129-N133 PolarHBondContact O-N 2.7Å; L129-N133 VanDerWaalsContact O-N 3.12Å; L129-N133 PolarHBondContact O-ND2 3.42Å; Q130-N133 PolarHBondContact O-N 2.84Å; L131-N133 VanDerWaalsContact C-N 3.29Å; L131-N133 PolarHBondContact O-N 2.85Å; N133-S136 PolarHBondContact O-N 3.38Å; N133-Q137 WeakPolarHBondContact O-CG 3.35Å; N133-Q137 PolarHBondContact O-N 2.97Å
134	V	81.5	Confident	78.3	Confident	75 Å²	75	95.5 Å²	95.5	46%	0.455	49%	0.488	S	S	.	.	H	α-helix	trans	-63.6	-44.1	176.7	174	0	0	0	0	110.9	Q130 L131 Q137 T138	Q130-V134 WeakPolarHBondContact O-CG2 3.36Å; Q130-V134 PolarHBondContact O-N 2.95Å; L131-V134 PolarHBondContact O-N 2.91Å; L131-V134 VanDerWaalsContact O-N 3.17Å; V134-Q137 PolarHBondContact O-N 2.91Å; V134-T138 VanDerWaalsContact O-CB 3.31Å; V134-T138 WeakPolarHBondContact O-CB 3.31Å; V134-T138 PolarHBondContact O-N 2.91Å; V134-T138 PolarHBondContact O-OG1 3.13Å
135	I	74.9	Confident	77.3	Confident	66 Å²	66	97.1 Å²	97.1	34%	0.338	49%	0.488	S	S	.	.	H	α-helix	trans	-59.4	-48.5	175.6	-69.2	166.9	0	0	0	109.7	L131 Q137 T138 E139	L131-I135 HydrophobicContact CD2-CD1 4.39Å; L131-I135 VanDerWaalsContact O-CG1 3.29Å; L131-I135 WeakPolarHBondContact O-CG1 3.29Å; L131-I135 PolarHBondContact O-N 3.42Å; I135-Q137 PolarHBondContact O-N 3.47Å; I135-T138 PolarHBondContact O-N 2.98Å; I135-E139 WeakPolarHBondContact O-CB 3.47Å; I135-E139 PolarHBondContact O-N 3.01Å
136	S	74	Confident	76.1	Confident	70 Å²	70	93.3 Å²	93.3	49%	0.49	47%	0.472	S	S	.	.	H	α-helix	trans	-60.9	-42.3	179.4	-178.6	0	0	0	0	113	K132 N133 H140	K132-S136 WeakPolarHBondContact O-CB 3.39Å; K132-S136 PolarHBondContact O-N 3.39Å; N133-S136 PolarHBondContact O-N 3.38Å; S136-H140 PolarHBondContact O-N 3.17Å
137	Q	76.3	Confident	74.8	Confident	143 Å²	143	90.2 Å²	90.2	67%	0.668	47%	0.468	S	S	*	.	H	α-helix	trans	-66	-42.8	175.1	-76.6	-179.1	-16.6	0	0	112.1	N133 V134 I135 H140 S141	N133-Q137 WeakPolarHBondContact O-CG 3.35Å; N133-Q137 PolarHBondContact O-N 2.97Å; V134-Q137 PolarHBondContact O-N 2.91Å; I135-Q137 PolarHBondContact O-N 3.47Å; Q137-H140 PolarHBondContact O-N 3.15Å; Q137-S141 WeakPolarHBondContact O-CB 3.33Å; Q137-S141 PolarHBondContact O-N 2.75Å; Q137-S141 PolarHBondContact O-OG 2.93Å
138	T	67.2	Low	73.8	Confident	75 Å²	75	92.6 Å²	92.6	46%	0.46	48%	0.476	S	S	.	.	H	α-helix	trans	-63	-44.9	178.4	-54.8	0	0	0	0	110.3	V134 I135 H140 S141 Y142	V134-T138 VanDerWaalsContact O-CB 3.31Å; V134-T138 WeakPolarHBondContact O-CB 3.31Å; V134-T138 PolarHBondContact O-N 2.91Å; V134-T138 PolarHBondContact O-OG1 3.13Å; I135-T138 PolarHBondContact O-N 2.98Å; T138-H140 VanDerWaalsContact C-N 3.34Å; T138-H140 PolarHBondContact O-N 3.19Å; T138-S141 PolarHBondContact O-N 3.49Å; T138-S141 PolarHBondContact O-OG 3.29Å; T138-Y142 WeakPolarHBondContact O-CB 3.44Å; T138-Y142 PolarHBondContact O-N 3.4Å
139	E	71.2	Confident	72.6	Confident	53 Å²	53	91.7 Å²	91.7	25%	0.248	47%	0.472	C	S	.	.	H	α-helix	trans	-59.2	-44.2	176.2	-168.7	-168.2	162.5	0	0	111.6	I135 Y142 K143	I135-E139 WeakPolarHBondContact O-CB 3.47Å; I135-E139 PolarHBondContact O-N 3.01Å; E139-Y142 PolarHBondContact O-N 3.45Å; E139-K143 WeakPolarHBondContact O-CG 3.34Å; E139-K143 PolarHBondContact O-N 2.98Å; E139-K143 WeakPolarHBondContact OE1-CE 3.4Å; E139-K143 IonicContact OE1-NZ 3.97Å; E139-K143 PolarHBondContact OE1-NZ 3.34Å
140	H	71.6	Confident	71.5	Confident	112 Å²	112	91.1 Å²	91.1	52%	0.519	47%	0.466	S	S	.	.	H	α-helix	trans	-65	-45.5	178	-165	-6.5	0	0	0	111.8	S136 Q137 T138 Y142 K143 E144	S136-H140 PolarHBondContact O-N 3.17Å; Q137-H140 PolarHBondContact O-N 3.15Å; T138-H140 VanDerWaalsContact C-N 3.34Å; T138-H140 PolarHBondContact O-N 3.19Å; H140-Y142 VanDerWaalsContact C-N 3.28Å; H140-Y142 PolarHBondContact O-N 3.05Å; H140-K143 PolarHBondContact O-N 3.35Å; H140-E144 IonicContact CE1-OE1 3.18Å; H140-E144 PolarHBondContact CE1-OE1 3.24Å; H140-E144 IonicContact ND1-OE1 2.68Å; H140-E144 IonicContact NE2-OE1 3.81Å; H140-E144 WeakPolarHBondContact O-CG 3.48Å; H140-E144 PolarHBondContact O-N 2.59Å
141	S	69.3	Low	70.1	Confident	53 Å²	53	88.9 Å²	88.9	37%	0.371	46%	0.463	S	S	.	.	H	α-helix	trans	-62.2	-36.7	176.9	74	0	0	0	0	112.2	Q137 T138 E144 L145	Q137-S141 WeakPolarHBondContact O-CB 3.33Å; Q137-S141 PolarHBondContact O-N 2.75Å; Q137-S141 PolarHBondContact O-OG 2.93Å; T138-S141 PolarHBondContact O-N 3.49Å; T138-S141 PolarHBondContact O-OG 3.29Å; S141-E144 PolarHBondContact O-N 3.29Å; S141-L145 WeakPolarHBondContact O-CB 3.3Å; S141-L145 WeakPolarHBondContact O-CG 3.27Å; S141-L145 PolarHBondContact O-N 3.25Å
142	Y	67.2	Low	69.2	Low	64 Å²	64	93.7 Å²	93.7	25%	0.251	48%	0.48	S	S	.	.	H	α-helix	trans	-67.3	-44.8	175.1	176.8	-98.7	0	0	0	111.5	T138 E139 H140 E144 L145 M146	T138-Y142 WeakPolarHBondContact O-CB 3.44Å; T138-Y142 PolarHBondContact O-N 3.4Å; E139-Y142 PolarHBondContact O-N 3.45Å; H140-Y142 VanDerWaalsContact C-N 3.28Å; H140-Y142 PolarHBondContact O-N 3.05Å; Y142-E144 VanDerWaalsContact C-N 3.27Å; Y142-E144 PolarHBondContact O-N 3.18Å; Y142-L145 PolarHBondContact O-N 3.46Å; Y142-M146 HydrophobicContact CD1-CG 3.95Å; Y142-M146 HydrophobicContact CD2-CG 4.38Å; Y142-M146 HydrophobicContact CE1-CG 3.5Å; Y142-M146 VanDerWaalsContact CE1-CG 3.5Å; Y142-M146 HydrophobicContact CE1-SD 3.65Å; Y142-M146 HydrophobicContact CE2-CG 3.99Å; Y142-M146 HydrophobicContact CE2-SD 4.32Å; Y142-M146 HydrophobicContact CG-CG 4.37Å; Y142-M146 WeakPolarHBondContact O-CB 3.37Å; Y142-M146 VanDerWaalsContact O-CG 3.28Å; Y142-M146 WeakPolarHBondContact O-CG 3.1Å; Y142-M146 PolarHBondContact O-N 3.37Å; Y142-M146 PolarHBondContact OH-SD 2.75Å
143	K	67.7	Low	68.2	Low	118 Å²	118	94.4 Å²	94.4	51%	0.513	49%	0.489	S	S	.	.	H	α-helix	trans	-58.8	-40.4	174.9	-77.2	177	-175.6	167.5	0	111.5	E139 H140 A147	E139-K143 WeakPolarHBondContact O-CG 3.34Å; E139-K143 PolarHBondContact O-N 2.98Å; E139-K143 WeakPolarHBondContact OE1-CE 3.4Å; E139-K143 IonicContact OE1-NZ 3.97Å; E139-K143 PolarHBondContact OE1-NZ 3.34Å; H140-K143 PolarHBondContact O-N 3.35Å; K143-A147 WeakPolarHBondContact O-CB 3.36Å; K143-A147 PolarHBondContact O-N 3.46Å
144	E	68.6	Low	67.5	Low	101 Å²	101	94.7 Å²	94.7	47%	0.472	50%	0.499	S	S	.	.	H	α-helix	trans	-64.9	-46.5	174.8	-72.5	-178.6	167	0	0	112.1	H140 S141 Y142 M146 A147 Q148	H140-E144 IonicContact CE1-OE1 3.18Å; H140-E144 PolarHBondContact CE1-OE1 3.24Å; H140-E144 IonicContact ND1-OE1 2.68Å; H140-E144 IonicContact NE2-OE1 3.81Å; H140-E144 WeakPolarHBondContact O-CG 3.48Å; H140-E144 PolarHBondContact O-N 2.59Å; S141-E144 PolarHBondContact O-N 3.29Å; Y142-E144 VanDerWaalsContact C-N 3.27Å; Y142-E144 PolarHBondContact O-N 3.18Å; E144-M146 PolarHBondContact O-N 3.48Å; E144-A147 PolarHBondContact O-N 2.9Å; E144-Q148 WeakPolarHBondContact O-CG 3.29Å; E144-Q148 PolarHBondContact O-N 2.94Å
145	L	64.5	Low	66.7	Low	87 Å²	87	97.7 Å²	97.7	46%	0.455	51%	0.511	S	S	.	.	H	α-helix	trans	-62.8	-39.3	176.8	-79	166.7	0	0	0	112.8	S141 Y142 Q148 N149	S141-L145 WeakPolarHBondContact O-CB 3.3Å; S141-L145 WeakPolarHBondContact O-CG 3.27Å; S141-L145 PolarHBondContact O-N 3.25Å; Y142-L145 PolarHBondContact O-N 3.46Å; L145-Q148 PolarHBondContact O-N 2.95Å; L145-N149 PolarHBondContact O-N 3.42Å; L145-N149 PolarHBondContact O-ND2 3.39Å
146	M	64.1	Low	66.4	Low	27 Å²	27	98 Å²	98	13%	0.133	52%	0.518	C	S	.	.	H	α-helix	trans	-63.4	-46.6	173.7	-74.1	-114.3	79.7	0	0	110.8	Y142 E144 Q148 N149 Q150	Y142-M146 HydrophobicContact CD1-CG 3.95Å; Y142-M146 HydrophobicContact CD2-CG 4.38Å; Y142-M146 HydrophobicContact CE1-CG 3.5Å; Y142-M146 VanDerWaalsContact CE1-CG 3.5Å; Y142-M146 HydrophobicContact CE1-SD 3.65Å; Y142-M146 HydrophobicContact CE2-CG 3.99Å; Y142-M146 HydrophobicContact CE2-SD 4.32Å; Y142-M146 HydrophobicContact CG-CG 4.37Å; Y142-M146 WeakPolarHBondContact O-CB 3.37Å; Y142-M146 VanDerWaalsContact O-CG 3.28Å; Y142-M146 WeakPolarHBondContact O-CG 3.1Å; Y142-M146 PolarHBondContact O-N 3.37Å; Y142-M146 PolarHBondContact OH-SD 2.75Å; E144-M146 PolarHBondContact O-N 3.48Å; M146-Q148 VanDerWaalsContact C-N 3.3Å; M146-Q148 PolarHBondContact O-N 3.29Å; M146-N149 PolarHBondContact O-N 2.94Å; M146-Q150 CarbonylContact O-C 3.54Å; M146-Q150 WeakPolarHBondContact O-CA 3.36Å; M146-Q150 PolarHBondContact O-N 2.86Å
147	A	63.3	Low	66.6	Low	60 Å²	60	101.5 Å²	101.5	50%	0.496	53%	0.529	S	S	.	.	H	α-helix	trans	-64.3	-32.9	179	0	0	0	0	0	113	K143 E144 P151	K143-A147 WeakPolarHBondContact O-CB 3.36Å; K143-A147 PolarHBondContact O-N 3.46Å; E144-A147 PolarHBondContact O-N 2.9Å; A147-P151 WeakPolarHBondContact O-CA 3.24Å
148	Q	63.8	Low	66.8	Low	144 Å²	144	101.1 Å²	101.1	67%	0.673	52%	0.522	S	S	*	.	H	α-helix	trans	-71	-40.5	176.9	-75.2	176.3	5.8	0	0	113.1	E144 L145 M146	E144-Q148 WeakPolarHBondContact O-CG 3.29Å; E144-Q148 PolarHBondContact O-N 2.94Å; L145-Q148 PolarHBondContact O-N 2.95Å; M146-Q148 VanDerWaalsContact C-N 3.3Å; M146-Q148 PolarHBondContact O-N 3.29Å
149	N	61.4	Low	67.5	Low	96 Å²	96	102.4 Å²	102.4	51%	0.513	53%	0.525	S	S	.	.	H	α-helix	trans	-94.9	-24.6	-174.7	-67	-67.4	0	0	0	113.7	L145 M146 T634	L145-N149 PolarHBondContact O-N 3.42Å; L145-N149 PolarHBondContact O-ND2 3.39Å; M146-N149 PolarHBondContact O-N 2.94Å; N149-T634 HydrophobicContact CB-CG2 3.48Å; N149-T634 VanDerWaalsContact CB-CG2 3.48Å; N149-T634 WeakPolarHBondContact ND2-CG2 3.47Å
150	Q	65.3	Low	67.8	Low	91 Å²	91	104.5 Å²	104.5	43%	0.425	54%	0.538	S	S	.	.	S	Bend	trans	-133.4	82.6	173.4	-70.9	-175.4	-9.4	0	0	108.4	M146 K152	M146-Q150 CarbonylContact O-C 3.54Å; M146-Q150 WeakPolarHBondContact O-CA 3.36Å; M146-Q150 PolarHBondContact O-N 2.86Å; Q150-K152 PolarHBondContact O-N 2.97Å; Q150-K152 VanDerWaalsContact O-N 3.12Å
151	P	59.6	Low	67.9	Low	83 Å²	83	99.9 Å²	99.9	54%	0.539	52%	0.518	S	S	.	.			trans	-57.3	125.6	175.6	24.1	-32.3	0	0	0	108.2	A147 L153	A147-P151 WeakPolarHBondContact O-CA 3.24Å; P151-L153 PolarHBondContact O-N 3.24Å
152	K	59.9	Low	67.9	Low	213 Å²	213	104.8 Å²	104.8	93%	0.926	54%	0.535	S	S	*	.			trans	-63.9	93.2	169.6	-76.7	-172.9	177.9	-175.9	0	107.4	Q150 S154	Q150-K152 PolarHBondContact O-N 2.97Å; Q150-K152 VanDerWaalsContact O-N 3.12Å; K152-S154 PolarHBondContact O-N 3.32Å
153	L	60.3	Low	67.7	Low	155 Å²	155	111 Å²	111	81%	0.812	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-68.6	116.8	173.4	-66	171.6	0	0	0	107.1	P151	P151-L153 PolarHBondContact O-N 3.24Å
154	S	65.3	Low	67.4	Low	103 Å²	103	112.8 Å²	112.8	72%	0.72	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-63.8	151.5	165.4	49.5	0	0	0	0	108.9	K152	K152-S154 PolarHBondContact O-N 3.32Å
155	L	65.8	Low	66.9	Low	137 Å²	137	111.3 Å²	111.3	72%	0.717	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-54.6	129.4	169.5	-70.6	168.9	0	0	0	108.1	I157	L155-I157 PolarHBondContact O-N 3.05Å
156	P	68.1	Low	66.6	Low	72 Å²	72	112.2 Å²	112.2	47%	0.468	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-59.6	144.5	175.9	-12.9	23	0	0	0	109.1	R158 T191 F593	P156-R158 PolarHBondContact O-N 3.22Å; P156-T191 HydrophobicContact CB-CG2 3.59Å; P156-T191 HydrophobicContact CG-CG2 3.87Å; P156-F593 HydrophobicContact CG-CE2 4.42Å; P156-F593 HydrophobicContact CG-CZ 4.47Å
157	I	77.8	Confident	66.3	Low	144 Å²	144	112.9 Å²	112.9	74%	0.738	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-55.7	132.1	-180	-61.5	171.6	0	0	0	108.5	L155 L159 T191	L155-I157 PolarHBondContact O-N 3.05Å; I157-L159 PolarHBondContact O-N 2.86Å; I157-T191 PolarHBondContact O-OG1 3.43Å
158	R	80.8	Confident	66.3	Low	136 Å²	136	113.5 Å²	113.5	51%	0.513	60%	0.602	S	S	.	*			trans	-60.8	103.6	175.6	177.9	171.6	-170.2	-167.5	3.7	109.6	P156 L160 T191 S192	P156-R158 PolarHBondContact O-N 3.22Å; R158-L160 HydrophobicContact CG-CD2 4.37Å; R158-T191 WeakPolarHBondContact CG-O 3.24Å; R158-S192 VanDerWaalsContact CZ-O 3.22Å; R158-S192 PolarHBondContact NE-O 3.4Å; R158-S192 PolarHBondContact NH2-O 3.06Å
159	L	81	Confident	66.4	Low	101 Å²	101	111.6 Å²	111.6	53%	0.529	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-72.3	126.6	170.3	-59.4	176.7	0	0	0	109.9	I157 P189 T191 S192	I157-L159 PolarHBondContact O-N 2.86Å; L159-P189 HydrophobicContact CB-CB 3.62Å; L159-P189 HydrophobicContact CB-CG 3.79Å; L159-P189 HydrophobicContact CD1-CB 4.14Å; L159-P189 HydrophobicContact CG-CB 4.49Å; L159-T191 PolarHBondContact N-OG1 3.41Å; L159-S192 WeakPolarHBondContact O-CA 3.5Å
160	L	79.4	Confident	66.5	Low	98 Å²	98	111.9 Å²	111.9	51%	0.513	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-95.6	156.8	171.9	-63.7	179.2	0	0	0	109.7	R158 I234	R158-L160 HydrophobicContact CG-CD2 4.37Å; L160-I234 HydrophobicContact CD2-CG2 4.49Å
161	P	73.3	Confident	66.4	Low	15 Å²	15	109.2 Å²	109.2	10%	0.097	60%	0.6	C	S	.	*	P	Polyproline II helix	trans	-54.3	138.7	171.5	-23.6	33.4	0	0	0	111.7	R187	P161-R187 HydrophobicContact CB-CB 4.15Å; P161-R187 HydrophobicContact CB-CG 4.08Å; P161-R187 HydrophobicContact CG-CB 4.24Å
162	E	68.3	Low	66.4	Low	155 Å²	155	116 Å²	116	72%	0.724	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-66.5	143.6	170	-69.5	-175.7	173.3	0	0	110.3
163	K	64	Low	66.7	Low	195 Å²	195	108.9 Å²	108.9	85%	0.848	60%	0.602	S	S	*	*	S	Bend	trans	-77.7	-31.1	-178	-72.9	-172.6	176	-174.1	0	113.2
164	D	59.8	Low	67	Low	155 Å²	155	104.7 Å²	104.7	83%	0.829	58%	0.582	S	S	*	*	S	Bend	trans	-107.5	93.4	-177.1	-67.4	-31.7	0	0	0	109.3
165	D	60.1	Low	67.2	Low	70 Å²	70	108.3 Å²	108.3	37%	0.374	58%	0.58	S	S	.	*			trans	-102	122.7	-178.3	-174.3	4	0	0	0	110	G167 R267	D165-G167 PolarHBondContact O-N 3.38Å; D165-G167 PolarHBondContact OD1-N 2.98Å; D165-G167 VanDerWaalsContact OD1-N 3.13Å; D165-R267 IonicContact OD2-NH1 3.25Å
166	A	56.3	Low	67.6	Low	107 Å²	107	103.6 Å²	103.6	88%	0.884	57%	0.565	S	S	*	*			trans	-69.3	-9.5	179.4	0	0	0	0	0	112.9
167	G	59.2	Low	68.3	Low	41 Å²	41	100.1 Å²	100.1	42%	0.423	54%	0.543	S	S	.	.			trans	69.8	137.2	178.2	0	0	0	0	0	112.6	D165	D165-G167 PolarHBondContact O-N 3.38Å; D165-G167 PolarHBondContact OD1-N 2.98Å; D165-G167 VanDerWaalsContact OD1-N 3.13Å
168	L	63.8	Low	68.8	Low	73 Å²	73	97.7 Å²	97.7	38%	0.382	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-72.1	130.8	172.2	-69.1	168.2	0	0	0	109.5	R295	L168-R295 PolarHBondContact O-NH2 3.17Å
169	P	64.8	Low	69.2	Low	103 Å²	103	92.5 Å²	92.5	67%	0.669	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-59.7	136.5	178.2	25.2	-33.8	0	0	0	109.8	R295	P169-R295 VanDerWaalsContact C-NH2 3.34Å; P169-R295 PolarHBondContact O-NH2 3.3Å
170	P	63.9	Low	69.4	Low	103 Å²	103	94.7 Å²	94.7	67%	0.669	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-54.2	140.6	-171.1	21.7	-33.3	0	0	0	111.6
171	P	63.3	Low	69.7	Low	35 Å²	35	92.6 Å²	92.6	23%	0.227	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-68.8	138.7	-175.8	29.7	-30.1	0	0	0	109.7	A173 R295	P171-A173 PolarHBondContact O-N 2.81Å; P171-A173 VanDerWaalsContact O-N 3.13Å; P171-R295 HydrophobicContact CG-CG 4.49Å
172	K	59.9	Low	70.3	Confident	226 Å²	226	91.9 Å²	91.9	98%	0.983	50%	0.498	S	S	*	.	S	Bend	trans	-59.6	-24.5	178.4	-67.6	-176.3	179.8	179.8	0	113.3
173	A	65.2	Low	71.4	Confident	62 Å²	62	84.7 Å²	84.7	51%	0.512	46%	0.464	S	S	.	.			trans	-147.2	123	172.2	0	0	0	0	0	110.4	P171 R175 G176	P171-A173 PolarHBondContact O-N 2.81Å; P171-A173 VanDerWaalsContact O-N 3.13Å; A173-R175 PolarHBondContact O-N 2.9Å; A173-G176 PolarHBondContact O-N 2.85Å; A173-G176 VanDerWaalsContact O-N 3.11Å
174	T	67.2	Low	72.5	Confident	67 Å²	67	76.1 Å²	76.1	41%	0.411	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-62.4	-26.2	179.3	49.6	0	0	0	0	113.4	G176 C177	T174-G176 PolarHBondContact O-N 2.72Å; T174-C177 WeakPolarHBondContact O-CB 2.68Å; T174-C177 PolarHBondContact O-N 3.19Å
175	R	68.6	Low	73.9	Confident	179 Å²	179	73.4 Å²	73.4	68%	0.675	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-65.7	-22.2	175.2	-67.8	-173.2	178.1	-178.9	1.9	113.9	A173 C177 V306	A173-R175 PolarHBondContact O-N 2.9Å; R175-C177 VanDerWaalsContact C-N 3.28Å; R175-C177 PolarHBondContact O-N 3.15Å; R175-V306 PolarHBondContact NE-O 3.27Å
176	G	75.4	Confident	75.1	Confident	38 Å²	38	72.7 Å²	72.7	39%	0.392	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-84.6	5.3	177.8	0	0	0	0	0	114.2	A173 T174 R178 N181	A173-G176 PolarHBondContact O-N 2.85Å; A173-G176 VanDerWaalsContact O-N 3.11Å; T174-G176 PolarHBondContact O-N 2.72Å; G176-R178 PolarHBondContact O-N 3.49Å; G176-N181 PolarHBondContact O-ND2 3.01Å
177	C	81.8	Confident	76.5	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	37%	0.366	C	S	.	.			trans	-63.9	130.6	-177.4	-85.7	0	0	0	0	112.4	T174 R175 N181 C182 F312	T174-C177 WeakPolarHBondContact O-CB 2.68Å; T174-C177 PolarHBondContact O-N 3.19Å; R175-C177 VanDerWaalsContact C-N 3.28Å; R175-C177 PolarHBondContact O-N 3.15Å; C177-N181 WeakPolarHBondContact CA-OD1 3.43Å; C177-C182 WeakPolarHBondContact CA-SG 3.36Å; C177-C182 HydrophobicContact CB-CB 3.64Å; C177-C182 WeakPolarHBondContact CB-SG 2.98Å; C177-C182 WeakPolarHBondContact SG-CB 3.2Å; C177-C182 CovalentContact SG-SG 2.04Å; C177-C182 PolarHBondContact SG-SG 3.05Å; C177-F312 HydrophobicContact CB-CD1 4.29Å; C177-F312 HydrophobicContact CB-CE1 4.32Å
178	R	88.3	Confident	78	Confident	92 Å²	92	66.1 Å²	66.1	35%	0.347	35%	0.348	S	S	.	.			trans	-141.3	165.2	177.5	-65.7	-64.1	-176.6	-98.9	5.4	107.2	G176 H180 N181 C182 P310	G176-R178 PolarHBondContact O-N 3.49Å; R178-H180 VanDerWaalsContact C-N 3.3Å; R178-H180 PolarHBondContact O-N 3.06Å; R178-N181 PolarHBondContact N-OD1 2.9Å; R178-N181 PolarHBondContact O-N 2.94Å; R178-N181 PolarHBondContact O-OD1 3.27Å; R178-C182 PolarHBondContact O-N 2.99Å; R178-P310 PolarHBondContact NH1-O 3.44Å
179	L	89.4	Confident	79.2	Confident	27 Å²	27	63.6 Å²	63.6	14%	0.141	34%	0.336	C	S	.	.	H	α-helix	trans	-55.1	-45.9	-179.8	-67.8	166.7	0	0	0	112	N181 F183 M297 F312 R537 I538	L179-N181 VanDerWaalsContact C-N 3.27Å; L179-N181 PolarHBondContact O-N 3.1Å; L179-F183 HydrophobicContact CD2-CB 4.22Å; L179-F183 HydrophobicContact CD2-CG 4.42Å; L179-F183 WeakPolarHBondContact O-CB 3.09Å; L179-F183 PolarHBondContact O-N 3.18Å; L179-F183 VanDerWaalsContact O-N 3.08Å; L179-M297 HydrophobicContact CD2-CE 4.02Å; L179-F312 HydrophobicContact CD2-CD2 4.16Å; L179-F312 HydrophobicContact CD2-CE2 4.4Å; L179-F312 HydrophobicContact CG-CD2 4.44Å; L179-R537 HydrophobicContact CD1-CB 3.76Å; L179-R537 HydrophobicContact CD1-CG 4.17Å; L179-I538 HydrophobicContact CD2-CG2 4.4Å
180	H	85.7	Confident	80.2	Confident	148 Å²	148	63.1 Å²	63.1	69%	0.685	33%	0.327	S	S	*	.	H	α-helix	trans	-66.6	-19	-176.7	70	-93.6	0	0	0	115.6	R178	R178-H180 VanDerWaalsContact C-N 3.3Å; R178-H180 PolarHBondContact O-N 3.06Å
181	N	85.3	Confident	81.3	Confident	53 Å²	53	59.6 Å²	59.6	28%	0.283	30%	0.304	S	S	.	.	H	α-helix	trans	-116.6	-25.3	-175.4	67.8	8.7	0	0	0	113.9	G176 C177 R178 L179 R295	G176-N181 PolarHBondContact O-ND2 3.01Å; C177-N181 WeakPolarHBondContact CA-OD1 3.43Å; R178-N181 PolarHBondContact N-OD1 2.9Å; R178-N181 PolarHBondContact O-N 2.94Å; R178-N181 PolarHBondContact O-OD1 3.27Å; L179-N181 VanDerWaalsContact C-N 3.27Å; L179-N181 PolarHBondContact O-N 3.1Å; N181-R295 PolarHBondContact O-NH1 2.91Å
182	C	87.1	Confident	82.3	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-115	-16.9	-176.8	-68.5	0	0	0	0	113.8	C177 R178 R295 F312	C177-C182 WeakPolarHBondContact CA-SG 3.36Å; C177-C182 HydrophobicContact CB-CB 3.64Å; C177-C182 WeakPolarHBondContact CB-SG 2.98Å; C177-C182 WeakPolarHBondContact SG-CB 3.2Å; C177-C182 CovalentContact SG-SG 2.04Å; C177-C182 PolarHBondContact SG-SG 3.05Å; R178-C182 PolarHBondContact O-N 2.99Å; C182-R295 HydrophobicContact CB-CB 4.21Å; C182-R295 HydrophobicContact CB-CG 4.04Å; C182-F312 HydrophobicContact CB-CE2 4.06Å; C182-F312 HydrophobicContact CB-CZ 3.91Å
183	F	90.1	Very high	83.7	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.018	27%	0.267	C	S	.	.	S	Bend	trans	-95.7	135.6	172.6	-166	-93.7	0	0	0	110.5	L179 Y185 C188 L237 N272 M297 F312 I538	L179-F183 HydrophobicContact CD2-CB 4.22Å; L179-F183 HydrophobicContact CD2-CG 4.42Å; L179-F183 WeakPolarHBondContact O-CB 3.09Å; L179-F183 PolarHBondContact O-N 3.18Å; L179-F183 VanDerWaalsContact O-N 3.08Å; F183-Y185 HydrophobicContact CB-CE2 4.47Å; F183-Y185 HydrophobicContact CD1-CD1 4.48Å; F183-Y185 HydrophobicContact CD1-CD2 4.07Å; F183-Y185 HydrophobicContact CD1-CE2 4.12Å; F183-Y185 HydrophobicContact CD1-CG 4.26Å; F183-C188 HydrophobicContact CE1-CB 4.01Å; F183-C188 HydrophobicContact CZ-CB 4.34Å; F183-C188 VanDerWaalsContact CZ-SG 3.5Å; F183-L237 HydrophobicContact CE2-CD1 4.07Å; F183-N272 HydrophobicContact CE2-CB 4.35Å; F183-M297 HydrophobicContact CD2-CE 3.46Å; F183-M297 VanDerWaalsContact CD2-CE 3.46Å; F183-M297 HydrophobicContact CE2-CE 3.75Å; F183-F312 HydrophobicContact CB-CE2 4.44Å; F183-I538 HydrophobicContact CD1-CG2 4.07Å; F183-I538 HydrophobicContact CE1-CD1 4.25Å; F183-I538 HydrophobicContact CE1-CG2 3.72Å; F183-I538 HydrophobicContact CZ-CD1 4.03Å; F183-I538 HydrophobicContact CZ-CG2 3.95Å
184	D	88	Confident	85	Confident	16 Å²	16	46.3 Å²	46.3	9%	0.086	24%	0.243	C	C	.	.			trans	-95.8	105.5	176.4	174.1	22.1	0	0	0	110.6	S186 R187 N272	D184-S186 VanDerWaalsContact C-N 3.28Å; D184-S186 PolarHBondContact O-N 2.88Å; D184-S186 VanDerWaalsContact OD1-CB 3.23Å; D184-S186 WeakPolarHBondContact OD1-CB 3.29Å; D184-S186 PolarHBondContact OD1-N 3.13Å; D184-S186 PolarHBondContact OD1-OG 2.89Å; D184-S186 PolarHBondContact OD2-OG 2.88Å; D184-R187 WeakPolarHBondContact OD2-CG 3.47Å; D184-N272 WeakPolarHBondContact CB-OD1 3.41Å; D184-N272 PolarHBondContact N-OD1 2.98Å; D184-N272 PolarHBondContact O-ND2 3.33Å
185	Y	88.9	Confident	86.3	Confident	98 Å²	98	43.4 Å²	43.4	38%	0.384	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-72.9	-18.4	178.5	-74.1	-94	0	0	0	113.2	F183 R187 C188 I538	F183-Y185 HydrophobicContact CB-CE2 4.47Å; F183-Y185 HydrophobicContact CD1-CD1 4.48Å; F183-Y185 HydrophobicContact CD1-CD2 4.07Å; F183-Y185 HydrophobicContact CD1-CE2 4.12Å; F183-Y185 HydrophobicContact CD1-CG 4.26Å; Y185-R187 PolarHBondContact O-N 2.8Å; Y185-C188 CarbonylContact O-C 3.6Å; Y185-C188 VanDerWaalsContact O-C 3.26Å; Y185-C188 PolarHBondContact O-N 3.43Å; Y185-I538 HydrophobicContact CE1-CB 4.11Å; Y185-I538 HydrophobicContact CE1-CG2 4.21Å
186	S	85	Confident	87.6	Confident	55 Å²	55	34.9 Å²	34.9	39%	0.385	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-63.4	-29.3	-177.8	76.7	0	0	0	0	112.4	D184 P189	D184-S186 VanDerWaalsContact C-N 3.28Å; D184-S186 PolarHBondContact O-N 2.88Å; D184-S186 VanDerWaalsContact OD1-CB 3.23Å; D184-S186 WeakPolarHBondContact OD1-CB 3.29Å; D184-S186 PolarHBondContact OD1-N 3.13Å; D184-S186 PolarHBondContact OD1-OG 2.89Å; D184-S186 PolarHBondContact OD2-OG 2.88Å; S186-P189 WeakPolarHBondContact O-CD 3.46Å
187	R	86.4	Confident	88.6	Confident	4 Å²	4	35.1 Å²	35.1	2%	0.015	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-88.3	-10.9	175	-57.2	-160.7	73.9	-136.9	6.3	114.6	P161 D184 Y185 P189 A232 D233 A235 C236 Y238 R267	P161-R187 HydrophobicContact CB-CB 4.15Å; P161-R187 HydrophobicContact CB-CG 4.08Å; P161-R187 HydrophobicContact CG-CB 4.24Å; D184-R187 WeakPolarHBondContact OD2-CG 3.47Å; Y185-R187 PolarHBondContact O-N 2.8Å; R187-P189 WeakPolarHBondContact O-CD 3.21Å; R187-A232 PolarHBondContact NH2-O 2.75Å; R187-A232 VanDerWaalsContact NH2-O 3.16Å; R187-D233 PolarHBondContact NH2-O 3.5Å; R187-A235 PolarHBondContact NH1-O 3.29Å; R187-A235 PolarHBondContact NH2-O 3.47Å; R187-C236 WeakPolarHBondContact O-CA 3.22Å; R187-C236 WeakPolarHBondContact O-CB 2.99Å; R187-Y238 VanDerWaalsContact CZ-OH 3.31Å; R187-Y238 PolarHBondContact NH1-OH 3.37Å; R187-Y238 PolarHBondContact NH2-OH 2.71Å; R187-R267 VanDerWaalsContact CD-NH1 3.28Å; R187-R267 VanDerWaalsContact NE-NH2 3.12Å
188	C	90.3	Very high	89.3	Confident	5 Å²	5	36.4 Å²	36.4	3%	0.034	19%	0.19	C	C	.	.	S	Bend	trans	-120.5	56.3	177.8	-57.3	0	0	0	0	112.2	F183 Y185 C236 I538 I540	F183-C188 HydrophobicContact CE1-CB 4.01Å; F183-C188 HydrophobicContact CZ-CB 4.34Å; F183-C188 VanDerWaalsContact CZ-SG 3.5Å; Y185-C188 CarbonylContact O-C 3.6Å; Y185-C188 VanDerWaalsContact O-C 3.26Å; Y185-C188 PolarHBondContact O-N 3.43Å; C188-C236 HydrophobicContact CB-CB 3.98Å; C188-C236 WeakPolarHBondContact CB-SG 3.45Å; C188-C236 VanDerWaalsContact SG-C 3.55Å; C188-C236 WeakPolarHBondContact SG-CA 3.28Å; C188-C236 WeakPolarHBondContact SG-CB 3.4Å; C188-C236 PolarHBondContact SG-O 3Å; C188-C236 CovalentContact SG-SG 2.02Å; C188-C236 PolarHBondContact SG-SG 3.22Å; C188-I538 HydrophobicContact CB-CD1 4.1Å; C188-I540 HydrophobicContact CB-CD1 4.14Å
189	P	88.8	Confident	89.5	Confident	21 Å²	21	32.5 Å²	32.5	14%	0.136	18%	0.176	C	C	.	.			trans	-54.4	149.9	171.4	-23.6	30.9	0	0	0	111.9	L159 S186 R187 T191 S192	L159-P189 HydrophobicContact CB-CB 3.62Å; L159-P189 HydrophobicContact CB-CG 3.79Å; L159-P189 HydrophobicContact CD1-CB 4.14Å; L159-P189 HydrophobicContact CG-CB 4.49Å; S186-P189 WeakPolarHBondContact O-CD 3.46Å; R187-P189 WeakPolarHBondContact O-CD 3.21Å; P189-T191 PolarHBondContact O-N 3.22Å; P189-S192 VanDerWaalsContact O-CB 3.22Å; P189-S192 WeakPolarHBondContact O-CB 3.34Å; P189-S192 PolarHBondContact O-N 3.37Å; P189-S192 PolarHBondContact O-OG 3.37Å
190	L	86.3	Confident	89.5	Confident	93 Å²	93	34.2 Å²	34.2	49%	0.487	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-30.2	-179.1	-69.6	172.3	0	0	0	113.7	Q539	L190-Q539 HydrophobicContact CD2-CB 4.49Å; L190-Q539 WeakPolarHBondContact CD2-O 3.38Å
191	T	86.2	Confident	89.5	Confident	28 Å²	28	27.4 Å²	27.4	17%	0.172	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	3.3	-176.6	56.5	0	0	0	0	113.6	P156 I157 R158 L159 P189 G193 F593	P156-T191 HydrophobicContact CB-CG2 3.59Å; P156-T191 HydrophobicContact CG-CG2 3.87Å; I157-T191 PolarHBondContact O-OG1 3.43Å; R158-T191 WeakPolarHBondContact CG-O 3.24Å; L159-T191 PolarHBondContact N-OG1 3.41Å; P189-T191 PolarHBondContact O-N 3.22Å; T191-G193 PolarHBondContact O-N 2.84Å; T191-F593 HydrophobicContact CG2-CE1 4.26Å; T191-F593 HydrophobicContact CG2-CZ 4.17Å
192	S	85.3	Confident	89.5	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.007	17%	0.166	C	C	.	.	S	Bend	trans	-67	-19.1	-175.3	62.4	0	0	0	0	113.8	R158 L159 P189 F194 P195	R158-S192 VanDerWaalsContact CZ-O 3.22Å; R158-S192 PolarHBondContact NE-O 3.4Å; R158-S192 PolarHBondContact NH2-O 3.06Å; L159-S192 WeakPolarHBondContact O-CA 3.5Å; P189-S192 VanDerWaalsContact O-CB 3.22Å; P189-S192 WeakPolarHBondContact O-CB 3.34Å; P189-S192 PolarHBondContact O-N 3.37Å; P189-S192 PolarHBondContact O-OG 3.37Å; S192-F194 VanDerWaalsContact C-N 3.33Å; S192-F194 PolarHBondContact OG-N 2.82Å; S192-P195 WeakPolarHBondContact O-CD 3.38Å
193	G	87.9	Confident	89.4	Confident	43 Å²	43	35.9 Å²	35.9	44%	0.443	20%	0.195	S	C	.	.			trans	79.1	13.6	-175.9	0	0	0	0	0	114.1	T191	T191-G193 PolarHBondContact O-N 2.84Å
194	F	93.8	Very high	89	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.201	C	C	.	.			trans	51.8	52.3	177.7	-167	-118.5	0	0	0	114.9	S192 V196 Y227 C236 L237 L531 I534 R535 I538 I540	S192-F194 VanDerWaalsContact C-N 3.33Å; S192-F194 PolarHBondContact OG-N 2.82Å; F194-V196 HydrophobicContact CD1-CG2 4.08Å; F194-V196 HydrophobicContact CE1-CG2 3.88Å; F194-V196 HydrophobicContact CZ-CG2 4.34Å; F194-V196 PolarHBondContact O-N 3.38Å; F194-Y227 HydrophobicContact CB-CD1 4.1Å; F194-Y227 HydrophobicContact CB-CE1 4.41Å; F194-Y227 AromaticContact CD1-CD1 3.99Å; F194-Y227 HydrophobicContact CD1-CD1 3.99Å; F194-Y227 HydrophobicContact CD1-CE1 4.41Å; F194-Y227 HydrophobicContact CD1-CG 4.13Å; F194-C236 VanDerWaalsContact CD2-SG 3.54Å; F194-L237 HydrophobicContact CZ-CD2 4Å; F194-L531 HydrophobicContact CE1-CB 4.2Å; F194-L531 HydrophobicContact CE1-CD2 4.34Å; F194-I534 HydrophobicContact CE2-CG2 4.18Å; F194-I534 HydrophobicContact CZ-CB 4.28Å; F194-I534 HydrophobicContact CZ-CG2 3.99Å; F194-R535 HydrophobicContact CD1-CB 4.1Å; F194-R535 HydrophobicContact CD1-CG 4.24Å; F194-R535 HydrophobicContact CE1-CB 3.9Å; F194-R535 HydrophobicContact CE2-CB 4.44Å; F194-R535 HydrophobicContact CG-CB 4.44Å; F194-R535 HydrophobicContact CG-CG 4.31Å; F194-R535 HydrophobicContact CZ-CB 4.07Å; F194-I538 HydrophobicContact CD2-CD1 3.82Å; F194-I538 HydrophobicContact CE2-CD1 3.58Å; F194-I540 HydrophobicContact CB-CD1 4.44Å; F194-I540 HydrophobicContact CB-CG2 4.04Å; F194-I540 HydrophobicContact CD2-CD1 4.07Å
195	P	94.5	Very high	88.5	Confident	7 Å²	7	40.5 Å²	40.5	5%	0.045	22%	0.222	C	C	.	.			trans	-65.8	134.2	178	27	-33.3	0	0	0	111.3	S192 Y227 T229 I234 C236 L237	S192-P195 WeakPolarHBondContact O-CD 3.38Å; P195-Y227 CarbonylContact C-O 3.52Å; P195-Y227 WeakPolarHBondContact CA-O 3.34Å; P195-T229 HydrophobicContact CB-CG2 3.94Å; P195-I234 WeakPolarHBondContact CG-O 3.48Å; P195-C236 HydrophobicContact CG-CB 4.28Å; P195-C236 WeakPolarHBondContact O-CB 3.46Å; P195-C236 PolarHBondContact O-N 3.35Å; P195-L237 PolarHBondContact O-N 3.43Å
196	V	96.4	Very high	88	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.1	-176.8	-179.1	0	0	0	0	109.7	F194 V198 Y227 V228 T229 L237 V239 L531	F194-V196 HydrophobicContact CD1-CG2 4.08Å; F194-V196 HydrophobicContact CE1-CG2 3.88Å; F194-V196 HydrophobicContact CZ-CG2 4.34Å; F194-V196 PolarHBondContact O-N 3.38Å; V196-V198 HydrophobicContact CG1-CG2 4.31Å; V196-Y227 PolarHBondContact N-O 3.39Å; V196-V228 CarbonylContact O-C 3.56Å; V196-V228 VanDerWaalsContact O-CA 3.26Å; V196-V228 WeakPolarHBondContact O-CA 3.28Å; V196-T229 PolarHBondContact O-N 2.7Å; V196-L237 WeakPolarHBondContact CA-O 3.45Å; V196-L237 HydrophobicContact CG1-CB 4.36Å; V196-L237 HydrophobicContact CG1-CD2 4.33Å; V196-L237 HydrophobicContact CG2-CB 4.18Å; V196-L237 HydrophobicContact CG2-CD2 4.33Å; V196-V239 HydrophobicContact CG1-CB 4.45Å; V196-V239 HydrophobicContact CG1-CG2 3.51Å; V196-L531 HydrophobicContact CG1-CD2 4.22Å; V196-L531 HydrophobicContact CG2-CD1 4.36Å; V196-L531 HydrophobicContact CG2-CD2 4.06Å
197	Y	95.9	Very high	87.7	Confident	42 Å²	42	33.4 Å²	33.4	17%	0.165	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.7	171.5	-179.6	-91.9	0	0	0	109.8	Y199 A232 L237 Y238 V239	Y197-Y199 HydrophobicContact CD1-CD2 4.49Å; Y197-Y199 AromaticContact CE1-CD1 3.92Å; Y197-Y199 HydrophobicContact CE1-CD1 3.92Å; Y197-Y199 HydrophobicContact CE1-CD2 4.47Å; Y197-Y199 AromaticContact CE1-CE1 3.98Å; Y197-Y199 HydrophobicContact CE1-CE1 3.98Å; Y197-Y199 HydrophobicContact CE1-CG 4.18Å; Y197-A232 HydrophobicContact CD1-CB 4.48Å; Y197-A232 HydrophobicContact CD2-CB 3.82Å; Y197-A232 HydrophobicContact CE2-CB 3.91Å; Y197-A232 HydrophobicContact CG-CB 4.09Å; Y197-L237 PolarHBondContact N-O 3.03Å; Y197-Y238 AromaticContact CD1-CD1 3.71Å; Y197-Y238 HydrophobicContact CD1-CD1 3.71Å; Y197-Y238 HydrophobicContact CD1-CE1 4.15Å; Y197-Y238 HydrophobicContact CG-CD1 4.07Å; Y197-Y238 HydrophobicContact CG-CE1 4.25Å; Y197-Y238 CarbonylContact O-C 3.58Å; Y197-Y238 WeakPolarHBondContact O-CA 3.41Å; Y197-V239 PolarHBondContact O-N 2.83Å
198	V	95.7	Very high	87.5	Confident	27 Å²	27	37 Å²	37	16%	0.164	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.3	178.9	-177.5	0	0	0	0	108.5	V196 F218 A222 V228 V239 F527	V196-V198 HydrophobicContact CG1-CG2 4.31Å; V198-F218 HydrophobicContact CG1-CE1 3.58Å; V198-F218 HydrophobicContact CG1-CZ 4.08Å; V198-A222 HydrophobicContact CB-CB 4.47Å; V198-A222 HydrophobicContact CG1-CB 4.23Å; V198-A222 HydrophobicContact CG2-CB 4.13Å; V198-V228 HydrophobicContact CG2-CG1 4.06Å; V198-V228 HydrophobicContact CG2-CG2 3.94Å; V198-V239 HydrophobicContact CG2-CB 4.33Å; V198-F527 HydrophobicContact CG2-CZ 4.22Å
199	Y	93.1	Very high	87.1	Confident	11 Å²	11	40.7 Å²	40.7	4%	0.043	23%	0.225	C	C	.	.			trans	-68	134.6	175.2	-79.4	-79.3	0	0	0	110.9	Y197 S201 F204 Y238 V239 I240 L263 H265 H273	Y197-Y199 HydrophobicContact CD1-CD2 4.49Å; Y197-Y199 AromaticContact CE1-CD1 3.92Å; Y197-Y199 HydrophobicContact CE1-CD1 3.92Å; Y197-Y199 HydrophobicContact CE1-CD2 4.47Å; Y197-Y199 AromaticContact CE1-CE1 3.98Å; Y197-Y199 HydrophobicContact CE1-CE1 3.98Å; Y197-Y199 HydrophobicContact CE1-CG 4.18Å; Y199-S201 PolarHBondContact O-N 3.39Å; Y199-F204 AromaticContact CD1-CE2 3.88Å; Y199-F204 HydrophobicContact CD1-CE2 3.88Å; Y199-F204 AromaticContact CD1-CZ 3.83Å; Y199-F204 HydrophobicContact CD1-CZ 3.83Å; Y199-F204 HydrophobicContact CE1-CZ 4.41Å; Y199-F204 HydrophobicContact CG-CE2 4.36Å; Y199-Y238 HydrophobicContact CE2-CD1 4.38Å; Y199-V239 PolarHBondContact N-O 2.97Å; Y199-I240 HydrophobicContact CD2-CD1 4.31Å; Y199-I240 HydrophobicContact CD2-CG1 3.38Å; Y199-I240 HydrophobicContact CE2-CD1 4.36Å; Y199-I240 HydrophobicContact CE2-CG1 3.89Å; Y199-I240 HydrophobicContact CG-CG1 4.18Å; Y199-L263 HydrophobicContact CD1-CD2 4.24Å; Y199-L263 HydrophobicContact CE1-CB 4.33Å; Y199-L263 HydrophobicContact CE1-CD2 4.28Å; Y199-L263 HydrophobicContact CE2-CD1 4.43Å; Y199-H265 WeakPolarHBondContact OH-CA 3.49Å; Y199-H265 WeakPolarHBondContact OH-CB 3.46Å; Y199-H265 PolarHBondContact OH-N 3.04Å; Y199-H273 AromaticContact CE2-CD2 3.9Å; Y199-H273 AromaticContact CE2-NE2 3.82Å; Y199-H273 PolarHBondContact OH-NE2 2.82Å
200	D	89.5	Confident	87	Confident	62 Å²	62	39.9 Å²	39.9	33%	0.332	22%	0.22	S	C	.	.			trans	-74.1	112.7	172.3	-176.6	7.4	0	0	0	110	D202 Q203 F204	D200-D202 PolarHBondContact O-N 2.65Å; D200-D202 WeakPolarHBondContact OD1-CB 3.41Å; D200-D202 PolarHBondContact OD1-N 3.16Å; D200-D202 VanDerWaalsContact OD1-N 3.11Å; D200-Q203 HydrophobicContact CB-CG 4.05Å; D200-Q203 PolarHBondContact O-N 3.38Å; D200-Q203 PolarHBondContact OD2-NE2 2.66Å; D200-F204 WeakPolarHBondContact O-CD2 3.27Å; D200-F204 WeakPolarHBondContact O-CE2 3.39Å
201	S	85.4	Confident	87	Confident	5 Å²	5	36.6 Å²	36.6	4%	0.035	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-64.6	-22.4	-179.2	52.9	0	0	0	0	112.9	Y199 Q203 F204 G207 K215 Q219	Y199-S201 PolarHBondContact O-N 3.39Å; S201-Q203 PolarHBondContact O-N 3.36Å; S201-F204 PolarHBondContact O-N 2.81Å; S201-G207 WeakPolarHBondContact O-CA 3.09Å; S201-K215 VanDerWaalsContact OG-CE 3.28Å; S201-K215 WeakPolarHBondContact OG-CE 2.7Å; S201-Q219 PolarHBondContact OG-NE2 2.9Å
202	D	85	Confident	87.2	Confident	101 Å²	101	38.9 Å²	38.9	54%	0.54	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-66	-20.1	176.8	-75	-61.7	0	0	0	113.7	D200 F204 K215 Q219	D200-D202 PolarHBondContact O-N 2.65Å; D200-D202 WeakPolarHBondContact OD1-CB 3.41Å; D200-D202 PolarHBondContact OD1-N 3.16Å; D200-D202 VanDerWaalsContact OD1-N 3.11Å; D202-F204 VanDerWaalsContact C-N 3.32Å; D202-K215 VanDerWaalsContact CG-NZ 3.29Å; D202-K215 WeakPolarHBondContact OD1-CE 2.83Å; D202-K215 IonicContact OD1-NZ 3.28Å; D202-K215 PolarHBondContact OD1-NZ 2.97Å; D202-K215 WeakPolarHBondContact OD2-CE 3.41Å; D202-K215 IonicContact OD2-NZ 3.96Å; D202-Q219 PolarHBondContact OD2-NE2 3.12Å; D202-Q219 VanDerWaalsContact OD2-NE2 3.13Å
203	Q	84.8	Confident	87.3	Confident	130 Å²	130	41.6 Å²	41.6	61%	0.607	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-83.3	-9.1	-178.2	-60.5	-180	15	0	0	113.4	D200 S201	D200-Q203 HydrophobicContact CB-CG 4.05Å; D200-Q203 PolarHBondContact O-N 3.38Å; D200-Q203 PolarHBondContact OD2-NE2 2.66Å; S201-Q203 PolarHBondContact O-N 3.36Å
204	F	82.2	Confident	87.2	Confident	33 Å²	33	39.6 Å²	39.6	15%	0.145	21%	0.211	C	C	.	.	S	Bend	trans	-124.3	146.5	-171.3	-52.6	-70.5	0	0	0	112.4	Y199 D200 S201 D202 F206 G207 L263	Y199-F204 AromaticContact CD1-CE2 3.88Å; Y199-F204 HydrophobicContact CD1-CE2 3.88Å; Y199-F204 AromaticContact CD1-CZ 3.83Å; Y199-F204 HydrophobicContact CD1-CZ 3.83Å; Y199-F204 HydrophobicContact CE1-CZ 4.41Å; Y199-F204 HydrophobicContact CG-CE2 4.36Å; D200-F204 WeakPolarHBondContact O-CD2 3.27Å; D200-F204 WeakPolarHBondContact O-CE2 3.39Å; S201-F204 PolarHBondContact O-N 2.81Å; D202-F204 VanDerWaalsContact C-N 3.32Å; F204-F206 VanDerWaalsContact C-N 3.34Å; F204-F206 HydrophobicContact CB-CD1 3.79Å; F204-F206 HydrophobicContact CB-CE1 3.38Å; F204-F206 HydrophobicContact CB-CZ 3.82Å; F204-F206 HydrophobicContact CD2-CE1 4.3Å; F204-F206 HydrophobicContact CD2-CZ 4.11Å; F204-F206 AromaticContact CG-CE1 3.87Å; F204-F206 HydrophobicContact CG-CE1 3.87Å; F204-F206 HydrophobicContact CG-CZ 4.15Å; F204-F206 PolarHBondContact O-N 2.67Å; F204-G207 PolarHBondContact O-N 2.74Å; F204-L263 HydrophobicContact CD1-CD2 3.75Å; F204-L263 HydrophobicContact CD2-CD2 4.19Å; F204-L263 HydrophobicContact CE1-CD2 3.34Å; F204-L263 HydrophobicContact CE2-CD2 3.82Å; F204-L263 HydrophobicContact CG-CD2 4.16Å; F204-L263 HydrophobicContact CZ-CD2 3.38Å
205	V	77.8	Confident	87	Confident	85 Å²	85	40.9 Å²	40.9	52%	0.515	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-59.9	-40.9	-175.7	178.6	0	0	0	0	112.2	G207 S208 Y209	V205-G207 PolarHBondContact O-N 2.79Å; V205-S208 PolarHBondContact O-N 3.34Å; V205-S208 PolarHBondContact O-OG 2.86Å; V205-Y209 HydrophobicContact CG1-CE2 3.98Å; V205-Y209 WeakPolarHBondContact O-CD2 3.28Å; V205-Y209 WeakPolarHBondContact O-CE2 3.28Å
206	F	77.9	Confident	86.8	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.009	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-62.5	-29	176.2	66.7	-95.2	0	0	0	112.6	F204 S208 Y209 I240 L241 L251 Q259	F204-F206 VanDerWaalsContact C-N 3.34Å; F204-F206 HydrophobicContact CB-CD1 3.79Å; F204-F206 HydrophobicContact CB-CE1 3.38Å; F204-F206 HydrophobicContact CB-CZ 3.82Å; F204-F206 HydrophobicContact CD2-CE1 4.3Å; F204-F206 HydrophobicContact CD2-CZ 4.11Å; F204-F206 AromaticContact CG-CE1 3.87Å; F204-F206 HydrophobicContact CG-CE1 3.87Å; F204-F206 HydrophobicContact CG-CZ 4.15Å; F204-F206 PolarHBondContact O-N 2.67Å; F206-S208 VanDerWaalsContact C-N 3.29Å; F206-S208 PolarHBondContact O-N 3.31Å; F206-Y209 PolarHBondContact O-N 2.86Å; F206-Y209 VanDerWaalsContact O-N 3.11Å; F206-I240 HydrophobicContact CE2-CG2 4.28Å; F206-I240 HydrophobicContact CZ-CG2 3.86Å; F206-L241 VanDerWaalsContact CE2-O 3.24Å; F206-L241 WeakPolarHBondContact CE2-O 3.36Å; F206-L251 HydrophobicContact CB-CD1 4.38Å; F206-Q259 HydrophobicContact CD1-CB 4.39Å
207	G	79.6	Confident	86.5	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.01	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-75	-14.3	-176.8	0	0	0	0	0	114.8	S201 F204 V205 Y209 K215	S201-G207 WeakPolarHBondContact O-CA 3.09Å; F204-G207 PolarHBondContact O-N 2.74Å; V205-G207 PolarHBondContact O-N 2.79Å; G207-Y209 VanDerWaalsContact C-N 3.32Å; G207-K215 PolarHBondContact O-NZ 2.88Å
208	S	80.3	Confident	86.2	Confident	79 Å²	79	44.2 Å²	44.2	55%	0.552	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-76.2	-19.2	167.9	62.5	0	0	0	0	113.6	V205 F206	V205-S208 PolarHBondContact O-N 3.34Å; V205-S208 PolarHBondContact O-OG 2.86Å; F206-S208 VanDerWaalsContact C-N 3.29Å; F206-S208 PolarHBondContact O-N 3.31Å
209	Y	82.9	Confident	85.9	Confident	83 Å²	83	44.9 Å²	44.9	33%	0.325	24%	0.235	S	C	.	.	S	Bend	trans	-94.7	-8.5	179.2	-56.4	-62.1	0	0	0	113.2	V205 F206 G207 M245 Q246 V249 L251	V205-Y209 HydrophobicContact CG1-CE2 3.98Å; V205-Y209 WeakPolarHBondContact O-CD2 3.28Å; V205-Y209 WeakPolarHBondContact O-CE2 3.28Å; F206-Y209 PolarHBondContact O-N 2.86Å; F206-Y209 VanDerWaalsContact O-N 3.11Å; G207-Y209 VanDerWaalsContact C-N 3.32Å; Y209-M245 CarbonylContact O-C 3.5Å; Y209-M245 WeakPolarHBondContact O-CA 3.22Å; Y209-Q246 PolarHBondContact O-N 3.43Å; Y209-V249 HydrophobicContact CD1-CB 4.38Å; Y209-V249 HydrophobicContact CD1-CG1 4.13Å; Y209-V249 HydrophobicContact CD1-CG2 3.92Å; Y209-V249 HydrophobicContact CE1-CG1 4.2Å; Y209-V249 HydrophobicContact CE1-CG2 4.32Å; Y209-V249 HydrophobicContact CG-CG1 4.32Å; Y209-L251 HydrophobicContact CD2-CD1 4Å
210	L	86.4	Confident	85.8	Confident	5 Å²	5	46.9 Å²	46.9	3%	0.026	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-61.5	142.3	178.3	-76.7	173.7	0	0	0	111.5	P212 K215 L241 V242	L210-P212 WeakPolarHBondContact O-CD 3.14Å; L210-K215 HydrophobicContact CB-CB 4.35Å; L210-K215 HydrophobicContact CB-CD 4.49Å; L210-L241 HydrophobicContact CD1-CD2 3.94Å; L210-L241 HydrophobicContact CD1-CG 4.2Å; L210-L241 HydrophobicContact CD2-CG 4.44Å; L210-V242 VanDerWaalsContact CD2-C 3.44Å; L210-V242 WeakPolarHBondContact CD2-O 3.17Å
211	D	87.4	Confident	85.9	Confident	24 Å²	24	44.5 Å²	44.5	13%	0.128	24%	0.242	C	C	.	.			trans	-54.3	123.8	168.1	179	-87.1	0	0	0	109.6	L213 V214 K215 E244 R280	D211-L213 PolarHBondContact O-N 2.7Å; D211-L213 WeakPolarHBondContact OD1-CA 3.25Å; D211-L213 VanDerWaalsContact OD1-CB 3.22Å; D211-L213 WeakPolarHBondContact OD1-CB 2.95Å; D211-L213 PolarHBondContact OD1-N 3.23Å; D211-V214 HydrophobicContact CB-CB 4.17Å; D211-V214 HydrophobicContact CB-CG2 3.85Å; D211-V214 PolarHBondContact O-N 3.23Å; D211-V214 PolarHBondContact OD1-N 3.3Å; D211-K215 WeakPolarHBondContact O-CB 2.94Å; D211-K215 PolarHBondContact O-N 2.83Å; D211-E244 PolarHBondContact N-O 3.39Å; D211-R280 IonicContact OD1-NH1 3.33Å; D211-R280 IonicContact OD2-NH1 3.88Å
212	P	88.6	Confident	86.2	Confident	76 Å²	76	44.6 Å²	44.6	49%	0.494	24%	0.242	S	C	.	.	H	α-helix	trans	-58.7	-33.1	-174.6	-27.4	34.7	0	0	0	113.5	L210 Q216	L210-P212 WeakPolarHBondContact O-CD 3.14Å; P212-Q216 VanDerWaalsContact O-CB 3.28Å; P212-Q216 WeakPolarHBondContact O-CB 3.48Å; P212-Q216 PolarHBondContact O-N 3.29Å
213	L	87.4	Confident	86.5	Confident	58 Å²	58	49.7 Å²	49.7	30%	0.304	25%	0.254	S	S	.	.	H	α-helix	trans	-72.7	-44.2	-179.4	-173.8	69.3	0	0	0	110.7	D211 K215 Q216 A217 A322 M323	D211-L213 PolarHBondContact O-N 2.7Å; D211-L213 WeakPolarHBondContact OD1-CA 3.25Å; D211-L213 VanDerWaalsContact OD1-CB 3.22Å; D211-L213 WeakPolarHBondContact OD1-CB 2.95Å; D211-L213 PolarHBondContact OD1-N 3.23Å; L213-K215 VanDerWaalsContact C-N 3.31Å; L213-K215 PolarHBondContact O-N 3.28Å; L213-Q216 PolarHBondContact O-N 2.86Å; L213-A217 WeakPolarHBondContact O-CB 3.41Å; L213-A217 PolarHBondContact O-N 3.11Å; L213-A322 HydrophobicContact CD1-CB 4.12Å; L213-A322 HydrophobicContact CD2-CB 3.48Å; L213-A322 VanDerWaalsContact CD2-CB 3.48Å; L213-A322 HydrophobicContact CG-CB 3.46Å; L213-A322 VanDerWaalsContact CG-CB 3.46Å; L213-M323 HydrophobicContact CD1-CG 3.79Å
214	V	87.6	Confident	86.8	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60	-44.5	174.9	179.1	0	0	0	0	110.5	D211 F218 L241 L278 R280 L319	D211-V214 HydrophobicContact CB-CB 4.17Å; D211-V214 HydrophobicContact CB-CG2 3.85Å; D211-V214 PolarHBondContact O-N 3.23Å; D211-V214 PolarHBondContact OD1-N 3.3Å; V214-F218 VanDerWaalsContact O-CB 3.3Å; V214-F218 WeakPolarHBondContact O-CB 3.36Å; V214-F218 PolarHBondContact O-N 2.92Å; V214-L241 HydrophobicContact CG1-CD1 4.37Å; V214-L278 HydrophobicContact CG1-CB 4.38Å; V214-R280 HydrophobicContact CG2-CB 4.44Å; V214-L319 HydrophobicContact CB-CD2 4.44Å; V214-L319 HydrophobicContact CG1-CD2 4.17Å; V214-L319 HydrophobicContact CG2-CD2 4.2Å
215	K	89.4	Confident	87.4	Confident	28 Å²	28	46.4 Å²	46.4	12%	0.122	25%	0.253	C	S	.	.	H	α-helix	trans	-62.9	-50	178.5	179.3	175.4	177.1	173.2	0	112.3	S201 D202 G207 L210 D211 L213 F218 Q219	S201-K215 VanDerWaalsContact OG-CE 3.28Å; S201-K215 WeakPolarHBondContact OG-CE 2.7Å; D202-K215 VanDerWaalsContact CG-NZ 3.29Å; D202-K215 WeakPolarHBondContact OD1-CE 2.83Å; D202-K215 IonicContact OD1-NZ 3.28Å; D202-K215 PolarHBondContact OD1-NZ 2.97Å; D202-K215 WeakPolarHBondContact OD2-CE 3.41Å; D202-K215 IonicContact OD2-NZ 3.96Å; G207-K215 PolarHBondContact O-NZ 2.88Å; L210-K215 HydrophobicContact CB-CB 4.35Å; L210-K215 HydrophobicContact CB-CD 4.49Å; D211-K215 WeakPolarHBondContact O-CB 2.94Å; D211-K215 PolarHBondContact O-N 2.83Å; L213-K215 VanDerWaalsContact C-N 3.31Å; L213-K215 PolarHBondContact O-N 3.28Å; K215-F218 PolarHBondContact O-N 2.69Å; K215-Q219 WeakPolarHBondContact O-CB 3.17Å; K215-Q219 WeakPolarHBondContact O-CG 3.43Å; K215-Q219 PolarHBondContact O-N 2.95Å
216	Q	89.7	Confident	88.2	Confident	108 Å²	108	47.9 Å²	47.9	51%	0.505	26%	0.262	S	S	.	.	H	α-helix	trans	-62	-45.3	-180	-176	-178.8	6.8	0	0	111.4	P212 L213 Q219 A220 M323	P212-Q216 VanDerWaalsContact O-CB 3.28Å; P212-Q216 WeakPolarHBondContact O-CB 3.48Å; P212-Q216 PolarHBondContact O-N 3.29Å; L213-Q216 PolarHBondContact O-N 2.86Å; Q216-Q219 PolarHBondContact O-N 3.06Å; Q216-A220 VanDerWaalsContact O-CB 3.31Å; Q216-A220 WeakPolarHBondContact O-CB 3.29Å; Q216-A220 PolarHBondContact O-N 2.8Å; Q216-M323 HydrophobicContact CG-CE 3.88Å; Q216-M323 HydrophobicContact CG-SD 4.24Å
217	A	88.9	Confident	89	Confident	2 Å²	2	49.2 Å²	49.2	2%	0.017	27%	0.267	C	S	.	.	H	α-helix	trans	-58.1	-50.5	177.4	0	0	0	0	0	111.7	L213 Q219 A220 T221 A322 M323 A523	L213-A217 WeakPolarHBondContact O-CB 3.41Å; L213-A217 PolarHBondContact O-N 3.11Å; A217-Q219 PolarHBondContact O-N 2.85Å; A217-A220 PolarHBondContact O-N 3.37Å; A217-T221 WeakPolarHBondContact O-CB 3.3Å; A217-T221 PolarHBondContact O-N 2.76Å; A217-T221 PolarHBondContact O-OG1 2.76Å; A217-T221 VanDerWaalsContact O-OG1 3.13Å; A217-A322 HydrophobicContact CB-CB 4.3Å; A217-A322 WeakPolarHBondContact CB-O 3.05Å; A217-M323 VanDerWaalsContact CA-SD 3.53Å; A217-M323 HydrophobicContact CB-CG 4.12Å; A217-M323 HydrophobicContact CB-SD 3.87Å; A217-A523 HydrophobicContact CB-CB 3.8Å
218	F	89.9	Confident	89.7	Confident	9 Å²	9	51.3 Å²	51.3	4%	0.039	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-44.9	179.7	-177.7	-93.5	0	0	0	112.8	V198 V214 K215 T221 A222 V239 L241 I276 F527	V198-F218 HydrophobicContact CG1-CE1 3.58Å; V198-F218 HydrophobicContact CG1-CZ 4.08Å; V214-F218 VanDerWaalsContact O-CB 3.3Å; V214-F218 WeakPolarHBondContact O-CB 3.36Å; V214-F218 PolarHBondContact O-N 2.92Å; K215-F218 PolarHBondContact O-N 2.69Å; F218-T221 PolarHBondContact O-N 2.64Å; F218-A222 WeakPolarHBondContact O-CB 3.38Å; F218-A222 PolarHBondContact O-N 2.83Å; F218-V239 HydrophobicContact CZ-CG1 3.87Å; F218-L241 HydrophobicContact CB-CD2 3.76Å; F218-L241 HydrophobicContact CD1-CB 3.93Å; F218-L241 HydrophobicContact CD1-CD2 3.81Å; F218-L241 HydrophobicContact CD1-CG 4.33Å; F218-L241 HydrophobicContact CD2-CD1 4.07Å; F218-L241 HydrophobicContact CE1-CB 3.84Å; F218-L241 HydrophobicContact CE2-CD1 4.44Å; F218-L241 HydrophobicContact CG-CB 4.32Å; F218-L241 HydrophobicContact CG-CD1 4.16Å; F218-L241 HydrophobicContact CG-CD2 3.78Å; F218-L241 HydrophobicContact CG-CG 4.31Å; F218-L241 HydrophobicContact CZ-CB 4.16Å; F218-I276 HydrophobicContact CE2-CD1 3.88Å; F218-I276 HydrophobicContact CE2-CG2 4.48Å; F218-I276 HydrophobicContact CZ-CD1 4.38Å; F218-F527 HydrophobicContact CD2-CD2 4.16Å; F218-F527 AromaticContact CE2-CD2 3.51Å; F218-F527 HydrophobicContact CE2-CD2 3.51Å; F218-F527 AromaticContact CE2-CE2 3.59Å; F218-F527 HydrophobicContact CE2-CE2 3.59Å; F218-F527 HydrophobicContact CZ-CD2 4.14Å; F218-F527 AromaticContact CZ-CE2 3.72Å; F218-F527 HydrophobicContact CZ-CE2 3.72Å
219	Q	90.2	Very high	90.4	Very high	41 Å²	41	49.1 Å²	49.1	19%	0.192	26%	0.263	C	S	.	.	H	α-helix	trans	-64.6	-39.5	178.2	-75.1	179.3	-16.8	0	0	111.9	S201 D202 K215 Q216 A217 A222 R223	S201-Q219 PolarHBondContact OG-NE2 2.9Å; D202-Q219 PolarHBondContact OD2-NE2 3.12Å; D202-Q219 VanDerWaalsContact OD2-NE2 3.13Å; K215-Q219 WeakPolarHBondContact O-CB 3.17Å; K215-Q219 WeakPolarHBondContact O-CG 3.43Å; K215-Q219 PolarHBondContact O-N 2.95Å; Q216-Q219 PolarHBondContact O-N 3.06Å; A217-Q219 PolarHBondContact O-N 2.85Å; Q219-A222 PolarHBondContact O-N 2.93Å; Q219-R223 WeakPolarHBondContact O-CG 3.28Å; Q219-R223 PolarHBondContact O-N 2.73Å; Q219-R223 VanDerWaalsContact O-N 3.15Å
220	A	90.8	Very high	90.9	Very high	53 Å²	53	54.3 Å²	54.3	44%	0.438	29%	0.29	S	S	.	.	H	α-helix	trans	-63.1	-47.5	176.6	0	0	0	0	0	111.3	Q216 A217 R223 A224	Q216-A220 VanDerWaalsContact O-CB 3.31Å; Q216-A220 WeakPolarHBondContact O-CB 3.29Å; Q216-A220 PolarHBondContact O-N 2.8Å; A217-A220 PolarHBondContact O-N 3.37Å; A220-R223 PolarHBondContact O-N 2.69Å; A220-A224 PolarHBondContact O-N 3.24Å
221	T	90.9	Very high	91.2	Very high	12 Å²	12	57.5 Å²	57.5	7%	0.074	31%	0.307	C	S	.	.	H	α-helix	trans	-61	-45.4	176	-67.2	0	0	0	0	112.4	A217 F218 R223 A224 N225 D524 F527	A217-T221 WeakPolarHBondContact O-CB 3.3Å; A217-T221 PolarHBondContact O-N 2.76Å; A217-T221 PolarHBondContact O-OG1 2.76Å; A217-T221 VanDerWaalsContact O-OG1 3.13Å; F218-T221 PolarHBondContact O-N 2.64Å; T221-R223 VanDerWaalsContact C-N 3.29Å; T221-R223 PolarHBondContact O-N 2.61Å; T221-A224 PolarHBondContact O-N 3.29Å; T221-N225 PolarHBondContact O-N 3.2Å; T221-D524 HydrophobicContact CG2-CB 4.25Å; T221-D524 PolarHBondContact OG1-N 2.98Å; T221-F527 HydrophobicContact CG2-CB 3.46Å; T221-F527 VanDerWaalsContact CG2-CB 3.46Å; T221-F527 HydrophobicContact CG2-CD1 3.5Å; T221-F527 VanDerWaalsContact CG2-CD1 3.5Å; T221-F527 HydrophobicContact CG2-CE1 4.4Å; T221-F527 HydrophobicContact CG2-CG 3.67Å
222	A	92.8	Very high	91.3	Very high	6 Å²	6	56.8 Å²	56.8	5%	0.05	31%	0.305	C	S	.	.	H	α-helix	trans	-60.2	-38.7	178.7	0	0	0	0	0	112.3	V198 F218 Q219 V228 F527	V198-A222 HydrophobicContact CB-CB 4.47Å; V198-A222 HydrophobicContact CG1-CB 4.23Å; V198-A222 HydrophobicContact CG2-CB 4.13Å; F218-A222 WeakPolarHBondContact O-CB 3.38Å; F218-A222 PolarHBondContact O-N 2.83Å; Q219-A222 PolarHBondContact O-N 2.93Å; A222-V228 VanDerWaalsContact O-CB 3.29Å; A222-V228 WeakPolarHBondContact O-CB 3.46Å; A222-V228 VanDerWaalsContact O-CG2 3.26Å; A222-V228 WeakPolarHBondContact O-CG2 3.31Å; A222-F527 HydrophobicContact CB-CZ 4.37Å
223	R	91.9	Very high	91.3	Very high	208 Å²	208	58.2 Å²	58.2	79%	0.785	31%	0.308	S	S	*	.	H	α-helix	trans	-69.8	-31.9	179.2	-72.5	174.7	-175.5	176.6	4.3	113.6	Q219 A220 T221	Q219-R223 WeakPolarHBondContact O-CG 3.28Å; Q219-R223 PolarHBondContact O-N 2.73Å; Q219-R223 VanDerWaalsContact O-N 3.15Å; A220-R223 PolarHBondContact O-N 2.69Å; T221-R223 VanDerWaalsContact C-N 3.29Å; T221-R223 PolarHBondContact O-N 2.61Å
224	A	91.1	Very high	91.4	Very high	78 Å²	78	57.5 Å²	57.5	65%	0.645	30%	0.304	S	S	*	.	H	α-helix	trans	-82.7	-16.3	-179.4	0	0	0	0	0	113.3	A220 T221	A220-A224 PolarHBondContact O-N 3.24Å; T221-A224 PolarHBondContact O-N 3.29Å
225	N	93.9	Very high	91.7	Very high	17 Å²	17	57.5 Å²	57.5	9%	0.091	30%	0.304	C	S	.	.			trans	-78.3	133.4	-172.1	-175.1	-71.6	0	0	0	113.1	T221 Y227 V228 F527 N528	T221-N225 PolarHBondContact O-N 3.2Å; N225-Y227 VanDerWaalsContact C-N 3.27Å; N225-Y227 PolarHBondContact O-N 3.44Å; N225-Y227 WeakPolarHBondContact OD1-CB 3.41Å; N225-Y227 VanDerWaalsContact OD1-CD2 3.3Å; N225-Y227 WeakPolarHBondContact OD1-CD2 3.42Å; N225-Y227 PolarHBondContact OD1-N 3Å; N225-V228 HydrophobicContact CB-CG2 3.96Å; N225-V228 PolarHBondContact O-N 3.4Å; N225-F527 HydrophobicContact CB-CE1 4.07Å; N225-N528 PolarHBondContact ND2-OD1 3.48Å
226	V	93.4	Very high	91.8	Very high	116 Å²	116	56.2 Å²	56.2	70%	0.703	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.6	-175.5	-177.5	0	0	0	0	113.8	A543	V226-A543 HydrophobicContact CG1-CB 4.24Å
227	Y	95.1	Very high	92.1	Very high	30 Å²	30	51 Å²	51	12%	0.118	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-18.2	-178.4	-57.5	-72.5	0	0	0	113	F194 P195 V196 N225 L531 A542 A543	F194-Y227 HydrophobicContact CB-CD1 4.1Å; F194-Y227 HydrophobicContact CB-CE1 4.41Å; F194-Y227 AromaticContact CD1-CD1 3.99Å; F194-Y227 HydrophobicContact CD1-CD1 3.99Å; F194-Y227 HydrophobicContact CD1-CE1 4.41Å; F194-Y227 HydrophobicContact CD1-CG 4.13Å; P195-Y227 CarbonylContact C-O 3.52Å; P195-Y227 WeakPolarHBondContact CA-O 3.34Å; V196-Y227 PolarHBondContact N-O 3.39Å; N225-Y227 VanDerWaalsContact C-N 3.27Å; N225-Y227 PolarHBondContact O-N 3.44Å; N225-Y227 WeakPolarHBondContact OD1-CB 3.41Å; N225-Y227 VanDerWaalsContact OD1-CD2 3.3Å; N225-Y227 WeakPolarHBondContact OD1-CD2 3.42Å; N225-Y227 PolarHBondContact OD1-N 3Å; Y227-L531 HydrophobicContact CD2-CD1 4.5Å; Y227-A542 WeakPolarHBondContact OH-CA 3.27Å; Y227-A543 HydrophobicContact CE1-CB 3.91Å; Y227-A543 PolarHBondContact OH-N 3.25Å
228	V	95.8	Very high	92.4	Very high	44 Å²	44	51 Å²	51	27%	0.267	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-73.3	134.1	-174.1	175.4	0	0	0	0	110.8	V196 V198 A222 N225 F527	V196-V228 CarbonylContact O-C 3.56Å; V196-V228 VanDerWaalsContact O-CA 3.26Å; V196-V228 WeakPolarHBondContact O-CA 3.28Å; V198-V228 HydrophobicContact CG2-CG1 4.06Å; V198-V228 HydrophobicContact CG2-CG2 3.94Å; A222-V228 VanDerWaalsContact O-CB 3.29Å; A222-V228 WeakPolarHBondContact O-CB 3.46Å; A222-V228 VanDerWaalsContact O-CG2 3.26Å; A222-V228 WeakPolarHBondContact O-CG2 3.31Å; N225-V228 HydrophobicContact CB-CG2 3.96Å; N225-V228 PolarHBondContact O-N 3.4Å; V228-F527 HydrophobicContact CG2-CE1 4.29Å; V228-F527 HydrophobicContact CG2-CZ 4.31Å
229	T	94.3	Very high	92.7	Very high	33 Å²	33	50.6 Å²	50.6	20%	0.202	27%	0.272	C	S	.	.			trans	-128.9	146	179.6	-170.8	0	0	0	0	111.4	P195 V196 N231 I234 A235	P195-T229 HydrophobicContact CB-CG2 3.94Å; V196-T229 PolarHBondContact O-N 2.7Å; T229-N231 VanDerWaalsContact C-N 3.31Å; T229-N231 WeakPolarHBondContact CG2-O 3Å; T229-N231 PolarHBondContact OG1-N 3.33Å; T229-I234 HydrophobicContact CG2-CG1 4.31Å; T229-A235 HydrophobicContact CG2-CB 4.42Å
230	E	93.1	Very high	92.9	Very high	193 Å²	193	48.7 Å²	48.7	90%	0.902	26%	0.263	S	S	*	.	S	Bend	trans	-78.1	-18.2	173.8	-60.7	-176.6	167.3	0	0	112.4
231	N	92.1	Very high	92.9	Very high	71 Å²	71	46.3 Å²	46.3	38%	0.38	24%	0.243	S	C	.	.			trans	-94.3	106.8	-176.9	-174.8	-13.4	0	0	0	111.6	T229 D233 I234	T229-N231 VanDerWaalsContact C-N 3.31Å; T229-N231 WeakPolarHBondContact CG2-O 3Å; T229-N231 PolarHBondContact OG1-N 3.33Å; N231-D233 VanDerWaalsContact C-N 3.29Å; N231-D233 PolarHBondContact O-N 3.33Å; N231-D233 WeakPolarHBondContact OD1-CB 2.67Å; N231-D233 PolarHBondContact OD1-N 3Å; N231-I234 HydrophobicContact CB-CD1 4.12Å; N231-I234 HydrophobicContact CB-CG1 3.93Å; N231-I234 WeakPolarHBondContact O-CG1 3.4Å
232	A	90.8	Very high	92.7	Very high	9 Å²	9	45.7 Å²	45.7	7%	0.074	24%	0.24	C	C	.	.	S	Bend	trans	-65.6	-24.4	-179.9	0	0	0	0	0	114.5	R187 Y197 A235 Y238 H265	R187-A232 PolarHBondContact NH2-O 2.75Å; R187-A232 VanDerWaalsContact NH2-O 3.16Å; Y197-A232 HydrophobicContact CD1-CB 4.48Å; Y197-A232 HydrophobicContact CD2-CB 3.82Å; Y197-A232 HydrophobicContact CE2-CB 3.91Å; Y197-A232 HydrophobicContact CG-CB 4.09Å; A232-A235 WeakPolarHBondContact O-CB 2.73Å; A232-A235 PolarHBondContact O-N 3.2Å; A232-Y238 HydrophobicContact CB-CE1 4.13Å; A232-Y238 PolarHBondContact O-OH 3.48Å; A232-H265 WeakPolarHBondContact CB-NE2 3.47Å
233	D	88	Confident	92.1	Very high	106 Å²	106	45.4 Å²	45.4	57%	0.567	24%	0.237	S	C	*	.	S	Bend	trans	-72.7	-35.4	-175.6	-66.9	-27.3	0	0	0	111.9	R187 N231	R187-D233 PolarHBondContact NH2-O 3.5Å; N231-D233 VanDerWaalsContact C-N 3.29Å; N231-D233 PolarHBondContact O-N 3.33Å; N231-D233 WeakPolarHBondContact OD1-CB 2.67Å; N231-D233 PolarHBondContact OD1-N 3Å
234	I	90.1	Very high	91.6	Very high	44 Å²	44	36 Å²	36	23%	0.226	20%	0.202	C	C	.	.	S	Bend	trans	-87.2	-8.2	178.9	65.2	171	0	0	0	113.1	L160 P195 T229 N231	L160-I234 HydrophobicContact CD2-CG2 4.49Å; P195-I234 WeakPolarHBondContact CG-O 3.48Å; T229-I234 HydrophobicContact CG2-CG1 4.31Å; N231-I234 HydrophobicContact CB-CD1 4.12Å; N231-I234 HydrophobicContact CB-CG1 3.93Å; N231-I234 WeakPolarHBondContact O-CG1 3.4Å
235	A	92.4	Very high	91.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.			trans	-65.4	132.6	-174.7	0	0	0	0	0	112	R187 T229 A232 Y238	R187-A235 PolarHBondContact NH1-O 3.29Å; R187-A235 PolarHBondContact NH2-O 3.47Å; T229-A235 HydrophobicContact CG2-CB 4.42Å; A232-A235 WeakPolarHBondContact O-CB 2.73Å; A232-A235 PolarHBondContact O-N 3.2Å; A235-Y238 HydrophobicContact CB-CE1 4.08Å
236	C	92.8	Very high	90.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-78.4	-39.7	169.8	153.7	0	0	0	0	110.5	R187 C188 F194 P195 N272	R187-C236 WeakPolarHBondContact O-CA 3.22Å; R187-C236 WeakPolarHBondContact O-CB 2.99Å; C188-C236 HydrophobicContact CB-CB 3.98Å; C188-C236 WeakPolarHBondContact CB-SG 3.45Å; C188-C236 VanDerWaalsContact SG-C 3.55Å; C188-C236 WeakPolarHBondContact SG-CA 3.28Å; C188-C236 WeakPolarHBondContact SG-CB 3.4Å; C188-C236 PolarHBondContact SG-O 3Å; C188-C236 CovalentContact SG-SG 2.02Å; C188-C236 PolarHBondContact SG-SG 3.22Å; F194-C236 VanDerWaalsContact CD2-SG 3.54Å; P195-C236 HydrophobicContact CG-CB 4.28Å; P195-C236 WeakPolarHBondContact O-CB 3.46Å; P195-C236 PolarHBondContact O-N 3.35Å; C236-N272 WeakPolarHBondContact O-CB 3.44Å; C236-N272 PolarHBondContact O-ND2 3.25Å
237	L	95.3	Very high	89	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144.3	-174	-162.9	77.4	0	0	0	110.9	F183 F194 P195 V196 Y197 V239 N272 V274 L531 I534	F183-L237 HydrophobicContact CE2-CD1 4.07Å; F194-L237 HydrophobicContact CZ-CD2 4Å; P195-L237 PolarHBondContact O-N 3.43Å; V196-L237 WeakPolarHBondContact CA-O 3.45Å; V196-L237 HydrophobicContact CG1-CB 4.36Å; V196-L237 HydrophobicContact CG1-CD2 4.33Å; V196-L237 HydrophobicContact CG2-CB 4.18Å; V196-L237 HydrophobicContact CG2-CD2 4.33Å; Y197-L237 PolarHBondContact N-O 3.03Å; L237-V239 HydrophobicContact CD2-CG2 3.93Å; L237-V239 HydrophobicContact CG-CG2 4.35Å; L237-N272 WeakPolarHBondContact CD1-O 3.24Å; L237-V274 HydrophobicContact CD1-CG2 3.59Å; L237-V274 HydrophobicContact CD2-CG2 3.82Å; L237-V274 HydrophobicContact CG-CG2 3.79Å; L237-L531 HydrophobicContact CD2-CD2 3.86Å; L237-I534 HydrophobicContact CD1-CG2 4.12Å; L237-I534 HydrophobicContact CD2-CD1 3.97Å; L237-I534 HydrophobicContact CD2-CG2 4.46Å
238	Y	95.4	Very high	87.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.2	171.8	-62.4	-78.4	0	0	0	110.2	R187 Y197 Y199 A232 A235 H265 N272 H273 V274	R187-Y238 VanDerWaalsContact CZ-OH 3.31Å; R187-Y238 PolarHBondContact NH1-OH 3.37Å; R187-Y238 PolarHBondContact NH2-OH 2.71Å; Y197-Y238 AromaticContact CD1-CD1 3.71Å; Y197-Y238 HydrophobicContact CD1-CD1 3.71Å; Y197-Y238 HydrophobicContact CD1-CE1 4.15Å; Y197-Y238 HydrophobicContact CG-CD1 4.07Å; Y197-Y238 HydrophobicContact CG-CE1 4.25Å; Y197-Y238 CarbonylContact O-C 3.58Å; Y197-Y238 WeakPolarHBondContact O-CA 3.41Å; Y199-Y238 HydrophobicContact CE2-CD1 4.38Å; A232-Y238 HydrophobicContact CB-CE1 4.13Å; A232-Y238 PolarHBondContact O-OH 3.48Å; A235-Y238 HydrophobicContact CB-CE1 4.08Å; Y238-H265 HydrophobicContact CD1-CB 4.41Å; Y238-H265 HydrophobicContact CE1-CB 3.93Å; Y238-H265 HydrophobicContact CE2-CB 4.45Å; Y238-N272 PolarHBondContact N-O 2.91Å; Y238-H273 VanDerWaalsContact CB-CD2 3.48Å; Y238-H273 WeakPolarHBondContact CB-CD2 3.5Å; Y238-H273 AromaticContact CD2-CE1 3.46Å; Y238-H273 VanDerWaalsContact CD2-CE1 3.46Å; Y238-H273 WeakPolarHBondContact CD2-CE1 3.46Å; Y238-H273 AromaticContact CD2-ND1 3.94Å; Y238-H273 AromaticContact CD2-NE2 3.81Å; Y238-H273 AromaticContact CG-CE1 3.87Å; Y238-H273 AromaticContact CG-NE2 3.72Å; Y238-H273 CarbonylContact O-C 3.58Å; Y238-H273 VanDerWaalsContact O-CA 3.27Å; Y238-H273 WeakPolarHBondContact O-CA 3.41Å; Y238-V274 PolarHBondContact O-N 3.4Å
239	V	96.1	Very high	85.7	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.3	-176.1	-175.9	0	0	0	0	110.7	V196 Y197 V198 Y199 F218 L237 V274 I276 F527 L531	V196-V239 HydrophobicContact CG1-CB 4.45Å; V196-V239 HydrophobicContact CG1-CG2 3.51Å; Y197-V239 PolarHBondContact O-N 2.83Å; V198-V239 HydrophobicContact CG2-CB 4.33Å; Y199-V239 PolarHBondContact N-O 2.97Å; F218-V239 HydrophobicContact CZ-CG1 3.87Å; L237-V239 HydrophobicContact CD2-CG2 3.93Å; L237-V239 HydrophobicContact CG-CG2 4.35Å; V239-V274 WeakPolarHBondContact CA-O 3.38Å; V239-V274 HydrophobicContact CG2-CB 4.4Å; V239-I276 HydrophobicContact CG1-CD1 3.43Å; V239-I276 VanDerWaalsContact CG1-CD1 3.43Å; V239-I276 HydrophobicContact CG1-CG1 4.03Å; V239-F527 HydrophobicContact CG1-CE2 4.27Å; V239-L531 HydrophobicContact CG2-CD2 4.43Å
240	I	93.7	Very high	84.2	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	131.2	-180	-53.3	151.5	0	0	0	108.7	Y199 F206 V242 L260 L263 W266 V274 I275 I276	Y199-I240 HydrophobicContact CD2-CD1 4.31Å; Y199-I240 HydrophobicContact CD2-CG1 3.38Å; Y199-I240 HydrophobicContact CE2-CD1 4.36Å; Y199-I240 HydrophobicContact CE2-CG1 3.89Å; Y199-I240 HydrophobicContact CG-CG1 4.18Å; F206-I240 HydrophobicContact CE2-CG2 4.28Å; F206-I240 HydrophobicContact CZ-CG2 3.86Å; I240-V242 HydrophobicContact CG2-CG2 4.4Å; I240-L260 HydrophobicContact CD1-CD2 4.33Å; I240-L263 HydrophobicContact CD1-CD1 3.26Å; I240-L263 HydrophobicContact CG1-CD1 3.86Å; I240-W266 HydrophobicContact CD1-CE3 4.29Å; I240-W266 HydrophobicContact CD1-CZ3 3.82Å; I240-V274 PolarHBondContact N-O 2.87Å; I240-I275 HydrophobicContact CD1-CG1 4.41Å; I240-I276 PolarHBondContact O-N 3.19Å
241	L	91.6	Very high	83.1	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	115.9	172.1	177.3	69.9	0	0	0	110.2	F206 L210 V214 F218 I276 L278	F206-L241 VanDerWaalsContact CE2-O 3.24Å; F206-L241 WeakPolarHBondContact CE2-O 3.36Å; L210-L241 HydrophobicContact CD1-CD2 3.94Å; L210-L241 HydrophobicContact CD1-CG 4.2Å; L210-L241 HydrophobicContact CD2-CG 4.44Å; V214-L241 HydrophobicContact CG1-CD1 4.37Å; F218-L241 HydrophobicContact CB-CD2 3.76Å; F218-L241 HydrophobicContact CD1-CB 3.93Å; F218-L241 HydrophobicContact CD1-CD2 3.81Å; F218-L241 HydrophobicContact CD1-CG 4.33Å; F218-L241 HydrophobicContact CD2-CD1 4.07Å; F218-L241 HydrophobicContact CE1-CB 3.84Å; F218-L241 HydrophobicContact CE2-CD1 4.44Å; F218-L241 HydrophobicContact CG-CB 4.32Å; F218-L241 HydrophobicContact CG-CD1 4.16Å; F218-L241 HydrophobicContact CG-CD2 3.78Å; F218-L241 HydrophobicContact CG-CG 4.31Å; F218-L241 HydrophobicContact CZ-CB 4.16Å; L241-I276 HydrophobicContact CD1-CG2 4.32Å; L241-L278 HydrophobicContact CD1-CD1 4.5Å
242	V	86.6	Confident	82.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.247	C	C	.	.			trans	-100.2	-30.4	171.8	173.7	0	0	0	0	112.1	L210 I240 L256 I275 I276	L210-V242 VanDerWaalsContact CD2-C 3.44Å; L210-V242 WeakPolarHBondContact CD2-O 3.17Å; I240-V242 HydrophobicContact CG2-CG2 4.4Å; V242-L256 HydrophobicContact CG1-CD1 4.48Å; V242-L256 HydrophobicContact CG1-CD2 4.27Å; V242-I275 HydrophobicContact CB-CG2 4.17Å; V242-I275 HydrophobicContact CG2-CG2 3.59Å; V242-I276 PolarHBondContact N-O 3.18Å
243	G	81.3	Confident	82.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.26	C	S	.	.			trans	49.5	-180	165.4	0	0	0	0	0	118.7	I276 N277 L287	G243-I276 PolarHBondContact N-O 3.05Å; G243-N277 PolarHBondContact O-OD1 3.2Å; G243-L287 VanDerWaalsContact O-CD1 3.3Å; G243-L287 WeakPolarHBondContact O-CD1 3.47Å
244	E	81.4	Confident	82.1	Confident	10 Å²	10	48.8 Å²	48.8	5%	0.047	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-71.7	140.1	166.8	-173.7	175.1	156.6	0	0	110.7	D211 L278 R280 K281 T284	D211-E244 PolarHBondContact N-O 3.39Å; E244-L278 PolarHBondContact N-O 2.95Å; E244-R280 WeakPolarHBondContact OE2-CA 3.24Å; E244-R280 VanDerWaalsContact OE2-CB 3.3Å; E244-R280 WeakPolarHBondContact OE2-CB 3.46Å; E244-R280 PolarHBondContact OE2-N 2.98Å; E244-K281 WeakPolarHBondContact OE1-CD 3.22Å; E244-K281 WeakPolarHBondContact OE1-CE 3.33Å; E244-K281 VanDerWaalsContact OE1-CG 3.26Å; E244-K281 WeakPolarHBondContact OE1-CG 3.28Å; E244-K281 IonicContact OE1-NZ 2.81Å; E244-K281 PolarHBondContact OE1-NZ 3.3Å; E244-K281 PolarHBondContact OE2-N 3.35Å; E244-T284 HydrophobicContact CG-CG2 4.26Å; E244-T284 PolarHBondContact OE2-OG1 3.32Å
245	M	81.1	Confident	81.9	Confident	20 Å²	20	50.5 Å²	50.5	10%	0.099	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-97.3	150.2	-179.8	-63.9	172.1	179.8	0	0	111.9	Y209 L251 L287	Y209-M245 CarbonylContact O-C 3.5Å; Y209-M245 WeakPolarHBondContact O-CA 3.22Å; M245-L251 HydrophobicContact CE-CB 4.38Å; M245-L251 HydrophobicContact CE-CD1 3.27Å; M245-L251 HydrophobicContact CE-CG 4.35Å; M245-L251 HydrophobicContact SD-CB 4.46Å; M245-L251 HydrophobicContact SD-CD1 3.71Å; M245-L251 HydrophobicContact SD-CG 4.4Å; M245-L287 HydrophobicContact CE-CD1 3.86Å; M245-L287 HydrophobicContact CE-CD2 4.38Å; M245-L287 HydrophobicContact CG-CD1 4.21Å; M245-L287 HydrophobicContact SD-CD1 4.08Å; M245-L287 HydrophobicContact SD-CD2 4.06Å
246	Q	76.9	Confident	81.6	Confident	114 Å²	114	50.7 Å²	50.7	53%	0.533	27%	0.27	S	S	.	.	S	Bend	trans	-62.5	148.7	167.9	-159.7	169.2	16	0	0	109.9	Y209	Y209-Q246 PolarHBondContact O-N 3.43Å
247	E	65.8	Low	81.4	Confident	166 Å²	166	53.4 Å²	53.4	78%	0.776	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-19	146.7	-176.4	-67.2	-170.5	167.2	0	0	118.2	V249	E247-V249 VanDerWaalsContact C-N 3.3Å; E247-V249 PolarHBondContact O-N 2.98Å
248	P	59	Low	81.1	Confident	125 Å²	125	60.1 Å²	60.1	81%	0.812	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn		-58.1	81.8	-126.4	37.8	-34.5	0	0	0	113.9	V250	P248-V250 PolarHBondContact O-N 2.88Å
249	V	61.5	Low	80.7	Confident	55 Å²	55	61 Å²	61	33%	0.333	32%	0.316	S	S	.	.			trans	-80.7	100.1	164.2	-175.3	0	0	0	0	107.9	Y209 E247 L251	Y209-V249 HydrophobicContact CD1-CB 4.38Å; Y209-V249 HydrophobicContact CD1-CG1 4.13Å; Y209-V249 HydrophobicContact CD1-CG2 3.92Å; Y209-V249 HydrophobicContact CE1-CG1 4.2Å; Y209-V249 HydrophobicContact CE1-CG2 4.32Å; Y209-V249 HydrophobicContact CG-CG1 4.32Å; E247-V249 VanDerWaalsContact C-N 3.3Å; E247-V249 PolarHBondContact O-N 2.98Å; V249-L251 VanDerWaalsContact C-N 3.31Å; V249-L251 HydrophobicContact CG1-CG 4.32Å; V249-L251 PolarHBondContact O-N 3.35Å
250	V	62.9	Low	80.3	Confident	130 Å²	130	61 Å²	61	79%	0.788	32%	0.316	S	S	*	.			trans	-75.1	88.4	172.3	-176	0	0	0	0	108.4	P248 R252	P248-V250 PolarHBondContact O-N 2.88Å; V250-R252 PolarHBondContact O-N 3.47Å
251	L	70.1	Confident	80.1	Confident	30 Å²	30	64.9 Å²	64.9	16%	0.157	33%	0.334	C	S	.	.			trans	-66.4	122.2	167	-87	165.8	0	0	0	108.8	F206 Y209 M245 V249 E255	F206-L251 HydrophobicContact CB-CD1 4.38Å; Y209-L251 HydrophobicContact CD2-CD1 4Å; M245-L251 HydrophobicContact CE-CB 4.38Å; M245-L251 HydrophobicContact CE-CD1 3.27Å; M245-L251 HydrophobicContact CE-CG 4.35Å; M245-L251 HydrophobicContact SD-CB 4.46Å; M245-L251 HydrophobicContact SD-CD1 3.71Å; M245-L251 HydrophobicContact SD-CG 4.4Å; V249-L251 VanDerWaalsContact C-N 3.31Å; V249-L251 HydrophobicContact CG1-CG 4.32Å; V249-L251 PolarHBondContact O-N 3.35Å; L251-E255 HydrophobicContact CD2-CG 4.42Å
252	R	80.4	Confident	80	Confident	197 Å²	197	68.6 Å²	68.6	74%	0.743	36%	0.36	S	S	*	.			trans	-66	135.1	176.6	-75.9	-175.4	-101.9	174.9	-5.5	108.9	V250 A254 E255 L256	V250-R252 PolarHBondContact O-N 3.47Å; R252-A254 PolarHBondContact O-N 3.28Å; R252-A254 VanDerWaalsContact O-N 3.11Å; R252-E255 WeakPolarHBondContact O-CB 3.43Å; R252-E255 PolarHBondContact O-N 3.21Å; R252-L256 PolarHBondContact O-N 2.67Å
253	P	84.1	Confident	80.1	Confident	56 Å²	56	68.9 Å²	68.9	36%	0.364	36%	0.362	S	S	.	.	H	α-helix	trans	-50.3	-40.4	-179.8	-32.1	36.6	0	0	0	114.1	E255 L256 E257 V291	P253-E255 VanDerWaalsContact C-N 3.33Å; P253-E255 PolarHBondContact O-N 2.97Å; P253-L256 PolarHBondContact O-N 3.06Å; P253-E257 WeakPolarHBondContact O-CB 3.1Å; P253-E257 PolarHBondContact O-N 3.25Å; P253-V291 HydrophobicContact CB-CG2 3.75Å
254	A	86.5	Confident	80.4	Confident	73 Å²	73	73.5 Å²	73.5	60%	0.603	39%	0.392	S	S	*	.	H	α-helix	trans	-65.4	-31.1	178.6	0	0	0	0	0	113.9	R252 K258	R252-A254 PolarHBondContact O-N 3.28Å; R252-A254 VanDerWaalsContact O-N 3.11Å; A254-K258 WeakPolarHBondContact O-CB 3.34Å; A254-K258 PolarHBondContact O-N 3.25Å; A254-K258 VanDerWaalsContact O-N 3.15Å
255	E	85.8	Confident	80.7	Confident	80 Å²	80	75.6 Å²	75.6	37%	0.374	40%	0.402	S	S	.	.	H	α-helix	trans	-74.8	-41.4	176.9	-176.8	58.6	-150.5	0	0	110.4	L251 R252 P253 K258 Q259	L251-E255 HydrophobicContact CD2-CG 4.42Å; R252-E255 WeakPolarHBondContact O-CB 3.43Å; R252-E255 PolarHBondContact O-N 3.21Å; P253-E255 VanDerWaalsContact C-N 3.33Å; P253-E255 PolarHBondContact O-N 2.97Å; E255-K258 PolarHBondContact O-N 3.37Å; E255-Q259 WeakPolarHBondContact O-CG 3.25Å; E255-Q259 PolarHBondContact O-N 3Å; E255-Q259 PolarHBondContact OE1-NE2 3.25Å; E255-Q259 VanDerWaalsContact OE1-NE2 3.09Å
256	L	86.3	Confident	81	Confident	4 Å²	4	74.9 Å²	74.9	2%	0.021	40%	0.398	C	S	.	.	H	α-helix	trans	-62.9	-42.6	175.1	-176.5	58.2	0	0	0	111.4	V242 R252 P253 K258 Q259 L260 L288 V291	V242-L256 HydrophobicContact CG1-CD1 4.48Å; V242-L256 HydrophobicContact CG1-CD2 4.27Å; R252-L256 PolarHBondContact O-N 2.67Å; P253-L256 PolarHBondContact O-N 3.06Å; L256-K258 PolarHBondContact O-N 2.73Å; L256-Q259 PolarHBondContact O-N 2.91Å; L256-L260 HydrophobicContact CG-CD1 4.44Å; L256-L260 WeakPolarHBondContact O-CG 3.22Å; L256-L260 PolarHBondContact O-N 3.48Å; L256-L288 HydrophobicContact CD2-CD2 3.89Å; L256-V291 HydrophobicContact CD2-CG2 4.3Å
257	E	88.5	Confident	80.8	Confident	57 Å²	57	74.2 Å²	74.2	27%	0.266	39%	0.39	S	S	.	.	H	α-helix	trans	-58	-47.5	174.4	-174.7	172.1	151.6	0	0	111.9	P253 Q259 L260 H261 V291 S292	P253-E257 WeakPolarHBondContact O-CB 3.1Å; P253-E257 PolarHBondContact O-N 3.25Å; E257-Q259 VanDerWaalsContact C-N 3.29Å; E257-Q259 PolarHBondContact O-N 2.9Å; E257-L260 PolarHBondContact O-N 3.11Å; E257-H261 PolarHBondContact O-CD2 3.15Å; E257-H261 PolarHBondContact O-N 3.45Å; E257-V291 HydrophobicContact CB-CG1 4.12Å; E257-S292 VanDerWaalsContact CD-CB 3.48Å; E257-S292 WeakPolarHBondContact OE1-CB 3.26Å; E257-S292 WeakPolarHBondContact OE2-CB 3.46Å; E257-S292 PolarHBondContact OE2-N 2.86Å
258	K	88.4	Confident	81.2	Confident	141 Å²	141	71.8 Å²	71.8	61%	0.613	39%	0.387	S	S	*	.	H	α-helix	trans	-60.3	-39.8	177.4	-175.3	-176.3	175.4	-169	0	111.9	A254 E255 L256 H261 S262	A254-K258 WeakPolarHBondContact O-CB 3.34Å; A254-K258 PolarHBondContact O-N 3.25Å; A254-K258 VanDerWaalsContact O-N 3.15Å; E255-K258 PolarHBondContact O-N 3.37Å; L256-K258 PolarHBondContact O-N 2.73Å; K258-H261 PolarHBondContact O-N 3.44Å; K258-S262 WeakPolarHBondContact O-CB 3.44Å; K258-S262 PolarHBondContact O-N 2.81Å; K258-S262 VanDerWaalsContact O-N 3.1Å
259	Q	86.9	Confident	82.3	Confident	19 Å²	19	66.9 Å²	66.9	9%	0.089	35%	0.354	C	S	.	.	H	α-helix	trans	-68.3	-43.2	178.1	-72.3	-179.7	15.8	0	0	112	F206 E255 L256 E257 H261 S262	F206-Q259 HydrophobicContact CD1-CB 4.39Å; E255-Q259 WeakPolarHBondContact O-CG 3.25Å; E255-Q259 PolarHBondContact O-N 3Å; E255-Q259 PolarHBondContact OE1-NE2 3.25Å; E255-Q259 VanDerWaalsContact OE1-NE2 3.09Å; L256-Q259 PolarHBondContact O-N 2.91Å; E257-Q259 VanDerWaalsContact C-N 3.29Å; E257-Q259 PolarHBondContact O-N 2.9Å; Q259-H261 VanDerWaalsContact C-N 3.31Å; Q259-H261 PolarHBondContact O-N 3.33Å; Q259-S262 PolarHBondContact O-N 2.92Å; Q259-S262 VanDerWaalsContact O-N 3.11Å; Q259-S262 PolarHBondContact O-OG 2.97Å
260	L	88.4	Confident	83.5	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-59.2	-43.4	174.5	-69.6	172.4	0	0	0	111.5	I240 L256 E257 S262 L263 W266 I275 V291	I240-L260 HydrophobicContact CD1-CD2 4.33Å; L256-L260 HydrophobicContact CG-CD1 4.44Å; L256-L260 WeakPolarHBondContact O-CG 3.22Å; L256-L260 PolarHBondContact O-N 3.48Å; E257-L260 PolarHBondContact O-N 3.11Å; L260-S262 PolarHBondContact O-N 3.42Å; L260-L263 HydrophobicContact CD2-CD1 4.34Å; L260-L263 WeakPolarHBondContact O-CB 2.93Å; L260-L263 WeakPolarHBondContact O-CD1 3.49Å; L260-L263 VanDerWaalsContact O-CG 3.28Å; L260-L263 WeakPolarHBondContact O-CG 3.22Å; L260-L263 PolarHBondContact O-N 2.86Å; L260-W266 HydrophobicContact CB-CH2 4.45Å; L260-W266 HydrophobicContact CB-CZ2 4.5Å; L260-I275 HydrophobicContact CD1-CD1 3.92Å; L260-I275 HydrophobicContact CD2-CD1 4.29Å; L260-V291 HydrophobicContact CD1-CG1 4.17Å
261	H	88.4	Confident	84.6	Confident	82 Å²	82	58.8 Å²	58.8	38%	0.38	30%	0.304	S	S	.	.	H	α-helix	trans	-70.5	-17.3	178.6	-73	-158	0	0	0	113.6	E257 K258 Q259 L263 W266	E257-H261 PolarHBondContact O-CD2 3.15Å; E257-H261 PolarHBondContact O-N 3.45Å; K258-H261 PolarHBondContact O-N 3.44Å; Q259-H261 VanDerWaalsContact C-N 3.31Å; Q259-H261 PolarHBondContact O-N 3.33Å; H261-L263 VanDerWaalsContact C-N 3.32Å; H261-W266 AromaticContact CD2-CD1 3.99Å; H261-W266 AromaticContact CD2-CE2 3.8Å; H261-W266 AromaticContact CD2-NE1 3.22Å; H261-W266 PolarHBondContact CD2-NE1 2.77Å; H261-W266 AromaticContact CG-NE1 3.88Å; H261-W266 AromaticContact NE2-NE1 3.66Å
262	S	88.8	Confident	85.6	Confident	81 Å²	81	57.5 Å²	57.5	57%	0.566	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-5.4	176.6	75.7	0	0	0	0	113.9	K258 Q259 L260	K258-S262 WeakPolarHBondContact O-CB 3.44Å; K258-S262 PolarHBondContact O-N 2.81Å; K258-S262 VanDerWaalsContact O-N 3.1Å; Q259-S262 PolarHBondContact O-N 2.92Å; Q259-S262 VanDerWaalsContact O-N 3.11Å; Q259-S262 PolarHBondContact O-OG 2.97Å; L260-S262 PolarHBondContact O-N 3.42Å
263	L	89.5	Confident	86.3	Confident	7 Å²	7	48.2 Å²	48.2	4%	0.037	26%	0.262	C	S	.	.	S	Bend	trans	-65	135	-178.6	-66.8	171.9	0	0	0	111.3	Y199 F204 I240 L260 H261 H265 W266	Y199-L263 HydrophobicContact CD1-CD2 4.24Å; Y199-L263 HydrophobicContact CE1-CB 4.33Å; Y199-L263 HydrophobicContact CE1-CD2 4.28Å; Y199-L263 HydrophobicContact CE2-CD1 4.43Å; F204-L263 HydrophobicContact CD1-CD2 3.75Å; F204-L263 HydrophobicContact CD2-CD2 4.19Å; F204-L263 HydrophobicContact CE1-CD2 3.34Å; F204-L263 HydrophobicContact CE2-CD2 3.82Å; F204-L263 HydrophobicContact CG-CD2 4.16Å; F204-L263 HydrophobicContact CZ-CD2 3.38Å; I240-L263 HydrophobicContact CD1-CD1 3.26Å; I240-L263 HydrophobicContact CG1-CD1 3.86Å; L260-L263 HydrophobicContact CD2-CD1 4.34Å; L260-L263 WeakPolarHBondContact O-CB 2.93Å; L260-L263 WeakPolarHBondContact O-CD1 3.49Å; L260-L263 VanDerWaalsContact O-CG 3.28Å; L260-L263 WeakPolarHBondContact O-CG 3.22Å; L260-L263 PolarHBondContact O-N 2.86Å; H261-L263 VanDerWaalsContact C-N 3.32Å; L263-H265 PolarHBondContact O-N 3.15Å; L263-W266 HydrophobicContact CB-CB 4.16Å; L263-W266 HydrophobicContact CD1-CE3 4.13Å; L263-W266 WeakPolarHBondContact O-CB 3.45Å; L263-W266 PolarHBondContact O-N 3.25Å; L263-W266 VanDerWaalsContact O-N 3.09Å
264	P	88.2	Confident	86.9	Confident	97 Å²	97	45.5 Å²	45.5	63%	0.63	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.6	-172.2	-29.4	33.4	0	0	0	116.3
265	H	88.1	Confident	87.3	Confident	54 Å²	54	42 Å²	42	25%	0.25	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	15.8	-177.7	-47.4	-72.7	0	0	0	113.4	Y199 A232 Y238 L263 R267 H273	Y199-H265 WeakPolarHBondContact OH-CA 3.49Å; Y199-H265 WeakPolarHBondContact OH-CB 3.46Å; Y199-H265 PolarHBondContact OH-N 3.04Å; A232-H265 WeakPolarHBondContact CB-NE2 3.47Å; Y238-H265 HydrophobicContact CD1-CB 4.41Å; Y238-H265 HydrophobicContact CE1-CB 3.93Å; Y238-H265 HydrophobicContact CE2-CB 4.45Å; L263-H265 PolarHBondContact O-N 3.15Å; H265-R267 WeakPolarHBondContact O-CG 3.47Å; H265-R267 PolarHBondContact O-N 3.06Å; H265-R267 VanDerWaalsContact O-N 3.1Å; H265-H273 PolarHBondContact O-CE1 3.22Å; H265-H273 PolarHBondContact O-NE2 3.21Å
266	W	87.1	Confident	87.6	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.015	20%	0.199	C	C	.	.			trans	-61.3	-19.9	178.4	-168.1	-110.1	0	0	0	113.9	I240 L260 H261 L263 T268 G270 H273 I275 A296	I240-W266 HydrophobicContact CD1-CE3 4.29Å; I240-W266 HydrophobicContact CD1-CZ3 3.82Å; L260-W266 HydrophobicContact CB-CH2 4.45Å; L260-W266 HydrophobicContact CB-CZ2 4.5Å; H261-W266 AromaticContact CD2-CD1 3.99Å; H261-W266 AromaticContact CD2-CE2 3.8Å; H261-W266 AromaticContact CD2-NE1 3.22Å; H261-W266 PolarHBondContact CD2-NE1 2.77Å; H261-W266 AromaticContact CG-NE1 3.88Å; H261-W266 AromaticContact NE2-NE1 3.66Å; L263-W266 HydrophobicContact CB-CB 4.16Å; L263-W266 HydrophobicContact CD1-CE3 4.13Å; L263-W266 WeakPolarHBondContact O-CB 3.45Å; L263-W266 PolarHBondContact O-N 3.25Å; L263-W266 VanDerWaalsContact O-N 3.09Å; W266-T268 PolarHBondContact O-N 2.87Å; W266-G270 VanDerWaalsContact CE2-CA 3.47Å; W266-G270 PolarHBondContact O-N 3.25Å; W266-H273 HydrophobicContact CE3-CB 4.2Å; W266-H273 AromaticContact CE3-CD2 3.47Å; W266-H273 VanDerWaalsContact CE3-CD2 3.47Å; W266-H273 AromaticContact CE3-CG 3.65Å; W266-H273 AromaticContact CE3-NE2 3.89Å; W266-H273 HydrophobicContact CH2-CB 4.44Å; W266-H273 HydrophobicContact CZ3-CB 3.68Å; W266-H273 AromaticContact CZ3-CD2 3.74Å; W266-H273 AromaticContact CZ3-CG 3.66Å; W266-I275 HydrophobicContact CH2-CD1 4.23Å; W266-A296 HydrophobicContact CH2-CB 3.49Å; W266-A296 VanDerWaalsContact CH2-CB 3.49Å; W266-A296 HydrophobicContact CZ2-CB 4.36Å; W266-A296 HydrophobicContact CZ3-CB 4.04Å
267	R	71.3	Confident	87.8	Confident	101 Å²	101	38.5 Å²	38.5	38%	0.381	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	-21.6	174.4	-72.3	168	-177.7	-130.9	-5.2	117.6	D165 R187 H265	D165-R267 IonicContact OD2-NH1 3.25Å; R187-R267 VanDerWaalsContact CD-NH1 3.28Å; R187-R267 VanDerWaalsContact NE-NH2 3.12Å; H265-R267 WeakPolarHBondContact O-CG 3.47Å; H265-R267 PolarHBondContact O-N 3.06Å; H265-R267 VanDerWaalsContact O-N 3.1Å
268	T	75.4	Confident	87.6	Confident	115 Å²	115	36 Å²	36	71%	0.706	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	156.5	-37.2	160.4	36.1	0	0	0	0	110.7	W266	W266-T268 PolarHBondContact O-N 2.87Å
269	D	81.1	Confident	87.4	Confident	21 Å²	21	29.5 Å²	29.5	11%	0.112	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134	12	-176.6	73	3.3	0	0	0	114.2	H271 G294 R295	D269-H271 IonicContact OD1-CD2 2.77Å; D269-H271 IonicContact OD1-CE1 3.48Å; D269-H271 PolarHBondContact OD1-CE1 3.36Å; D269-H271 IonicContact OD1-CG 2.81Å; D269-H271 IonicContact OD1-ND1 3.82Å; D269-H271 PolarHBondContact OD1-ND1 3.4Å; D269-H271 IonicContact OD1-NE2 3.23Å; D269-H271 IonicContact OD2-CE1 2.91Å; D269-G294 CarbonylContact O-C 3.56Å; D269-G294 WeakPolarHBondContact O-CA 3.26Å; D269-R295 PolarHBondContact O-N 2.86Å; D269-R295 WeakPolarHBondContact OD1-CD 3.34Å; D269-R295 IonicContact OD1-NE 2.73Å; D269-R295 VanDerWaalsContact OD2-CD 3.26Å; D269-R295 WeakPolarHBondContact OD2-CD 3.28Å; D269-R295 IonicContact OD2-CZ 3.76Å; D269-R295 IonicContact OD2-NE 3.06Å; D269-R295 PolarHBondContact OD2-NE 3.15Å; D269-R295 IonicContact OD2-NH2 3.8Å
270	G	86.6	Confident	87.2	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	29.2	173.1	0	0	0	0	0	115.7	W266 N272 H273 R295 A296	W266-G270 VanDerWaalsContact CE2-CA 3.47Å; W266-G270 PolarHBondContact O-N 3.25Å; G270-N272 PolarHBondContact O-N 2.98Å; G270-H273 WeakPolarHBondContact O-CB 3.34Å; G270-H273 PolarHBondContact O-N 3.17Å; G270-H273 VanDerWaalsContact O-N 3.1Å; G270-H273 PolarHBondContact O-ND1 3.47Å; G270-R295 CarbonylContact O-C 3.43Å; G270-A296 WeakPolarHBondContact O-CA 3.4Å; G270-A296 PolarHBondContact O-N 3.35Å
271	H	86.4	Confident	86.9	Confident	15 Å²	15	38 Å²	38	7%	0.069	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	132.3	173.6	-65.5	92.4	0	0	0	112.4	D269 H273 R295	D269-H271 IonicContact OD1-CD2 2.77Å; D269-H271 IonicContact OD1-CE1 3.48Å; D269-H271 PolarHBondContact OD1-CE1 3.36Å; D269-H271 IonicContact OD1-CG 2.81Å; D269-H271 IonicContact OD1-ND1 3.82Å; D269-H271 PolarHBondContact OD1-ND1 3.4Å; D269-H271 IonicContact OD1-NE2 3.23Å; D269-H271 IonicContact OD2-CE1 2.91Å; H271-H273 PolarHBondContact O-CE1 2.92Å; H271-H273 PolarHBondContact O-N 3.45Å; H271-H273 PolarHBondContact O-ND1 3Å; H271-R295 WeakPolarHBondContact CD2-CD 3.15Å; H271-R295 WeakPolarHBondContact NE2-CD 3.39Å; H271-R295 PolarHBondContact NE2-NE 2.81Å; H271-R295 VanDerWaalsContact NE2-NE 3.13Å
272	N	91.9	Very high	86.3	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.021	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	18.3	179	-62.1	22.3	0	0	0	114.4	F183 D184 C236 L237 Y238 G270	F183-N272 HydrophobicContact CE2-CB 4.35Å; D184-N272 WeakPolarHBondContact CB-OD1 3.41Å; D184-N272 PolarHBondContact N-OD1 2.98Å; D184-N272 PolarHBondContact O-ND2 3.33Å; C236-N272 WeakPolarHBondContact O-CB 3.44Å; C236-N272 PolarHBondContact O-ND2 3.25Å; L237-N272 WeakPolarHBondContact CD1-O 3.24Å; Y238-N272 PolarHBondContact N-O 2.91Å; G270-N272 PolarHBondContact O-N 2.98Å
273	H	94.3	Very high	85.6	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	148	171.7	-69.3	65.8	0	0	0	110.6	Y199 Y238 H265 W266 G270 H271 A296 M297	Y199-H273 AromaticContact CE2-CD2 3.9Å; Y199-H273 AromaticContact CE2-NE2 3.82Å; Y199-H273 PolarHBondContact OH-NE2 2.82Å; Y238-H273 VanDerWaalsContact CB-CD2 3.48Å; Y238-H273 WeakPolarHBondContact CB-CD2 3.5Å; Y238-H273 AromaticContact CD2-CE1 3.46Å; Y238-H273 VanDerWaalsContact CD2-CE1 3.46Å; Y238-H273 WeakPolarHBondContact CD2-CE1 3.46Å; Y238-H273 AromaticContact CD2-ND1 3.94Å; Y238-H273 AromaticContact CD2-NE2 3.81Å; Y238-H273 AromaticContact CG-CE1 3.87Å; Y238-H273 AromaticContact CG-NE2 3.72Å; Y238-H273 CarbonylContact O-C 3.58Å; Y238-H273 VanDerWaalsContact O-CA 3.27Å; Y238-H273 WeakPolarHBondContact O-CA 3.41Å; H265-H273 PolarHBondContact O-CE1 3.22Å; H265-H273 PolarHBondContact O-NE2 3.21Å; W266-H273 HydrophobicContact CE3-CB 4.2Å; W266-H273 AromaticContact CE3-CD2 3.47Å; W266-H273 VanDerWaalsContact CE3-CD2 3.47Å; W266-H273 AromaticContact CE3-CG 3.65Å; W266-H273 AromaticContact CE3-NE2 3.89Å; W266-H273 HydrophobicContact CH2-CB 4.44Å; W266-H273 HydrophobicContact CZ3-CB 3.68Å; W266-H273 AromaticContact CZ3-CD2 3.74Å; W266-H273 AromaticContact CZ3-CG 3.66Å; G270-H273 WeakPolarHBondContact O-CB 3.34Å; G270-H273 PolarHBondContact O-N 3.17Å; G270-H273 VanDerWaalsContact O-N 3.1Å; G270-H273 PolarHBondContact O-ND1 3.47Å; H271-H273 PolarHBondContact O-CE1 2.92Å; H271-H273 PolarHBondContact O-N 3.45Å; H271-H273 PolarHBondContact O-ND1 3Å; H273-A296 HydrophobicContact CB-CB 3.75Å; H273-A296 CarbonylContact O-C 3.44Å; H273-A296 VanDerWaalsContact O-CA 3.27Å; H273-A296 WeakPolarHBondContact O-CA 3.32Å; H273-M297 PolarHBondContact O-N 2.99Å
274	V	96	Very high	84.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	120.9	173.4	-173.2	0	0	0	0	108.1	L237 Y238 V239 I240 I276 M297 A299 V530 I534	L237-V274 HydrophobicContact CD1-CG2 3.59Å; L237-V274 HydrophobicContact CD2-CG2 3.82Å; L237-V274 HydrophobicContact CG-CG2 3.79Å; Y238-V274 PolarHBondContact O-N 3.4Å; V239-V274 WeakPolarHBondContact CA-O 3.38Å; V239-V274 HydrophobicContact CG2-CB 4.4Å; I240-V274 PolarHBondContact N-O 2.87Å; V274-I276 HydrophobicContact CG1-CG1 4.07Å; V274-M297 CarbonylContact C-O 3.5Å; V274-M297 WeakPolarHBondContact CA-O 3.43Å; V274-M297 HydrophobicContact CG1-CB 4.47Å; V274-M297 HydrophobicContact CG2-CB 4.29Å; V274-A299 HydrophobicContact CG1-CB 4.46Å; V274-V530 HydrophobicContact CG1-CG1 4.47Å; V274-I534 HydrophobicContact CB-CD1 4.48Å; V274-I534 HydrophobicContact CG1-CD1 4.16Å; V274-I534 HydrophobicContact CG2-CD1 3.56Å
275	I	94.8	Very high	84.3	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	116.9	174.8	-57.5	170.9	0	0	0	107.3	I240 V242 L260 W266 L288 T293 A296 M297 A299	I240-I275 HydrophobicContact CD1-CG1 4.41Å; V242-I275 HydrophobicContact CB-CG2 4.17Å; V242-I275 HydrophobicContact CG2-CG2 3.59Å; L260-I275 HydrophobicContact CD1-CD1 3.92Å; L260-I275 HydrophobicContact CD2-CD1 4.29Å; W266-I275 HydrophobicContact CH2-CD1 4.23Å; I275-L288 HydrophobicContact CG2-CD1 3.85Å; I275-L288 HydrophobicContact CG2-CD2 4.43Å; I275-T293 HydrophobicContact CD1-CG2 3.7Å; I275-A296 HydrophobicContact CD1-CB 4.04Å; I275-A296 HydrophobicContact CG1-CB 4.2Å; I275-M297 PolarHBondContact N-O 3.03Å; I275-A299 PolarHBondContact O-N 3.45Å
276	I	93.3	Very high	84.1	Confident	3 Å²	3	35.5 Å²	35.5	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	115.2	177.8	-63.3	179.5	0	0	0	108.4	F218 V239 I240 L241 V242 G243 V274 L278 A299 F527 V530	F218-I276 HydrophobicContact CE2-CD1 3.88Å; F218-I276 HydrophobicContact CE2-CG2 4.48Å; F218-I276 HydrophobicContact CZ-CD1 4.38Å; V239-I276 HydrophobicContact CG1-CD1 3.43Å; V239-I276 VanDerWaalsContact CG1-CD1 3.43Å; V239-I276 HydrophobicContact CG1-CG1 4.03Å; I240-I276 PolarHBondContact O-N 3.19Å; L241-I276 HydrophobicContact CD1-CG2 4.32Å; V242-I276 PolarHBondContact N-O 3.18Å; G243-I276 PolarHBondContact N-O 3.05Å; V274-I276 HydrophobicContact CG1-CG1 4.07Å; I276-L278 HydrophobicContact CG2-CD1 4.13Å; I276-L278 HydrophobicContact CG2-CD2 3.81Å; I276-L278 HydrophobicContact CG2-CG 3.64Å; I276-A299 HydrophobicContact CG1-CB 4.18Å; I276-F527 HydrophobicContact CD1-CD2 4.19Å; I276-F527 HydrophobicContact CD1-CE2 4.34Å; I276-V530 HydrophobicContact CD1-CG1 4.11Å
277	N	90.6	Very high	83.8	Confident	7 Å²	7	37.7 Å²	37.7	4%	0.037	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	90.6	176.2	176.4	28.7	0	0	0	109.3	G243 L288 A299 Q300	G243-N277 PolarHBondContact O-OD1 3.2Å; N277-L288 HydrophobicContact CB-CD1 4.21Å; N277-A299 PolarHBondContact N-O 2.89Å; N277-Q300 HydrophobicContact CB-CB 3.87Å; N277-Q300 PolarHBondContact ND2-OE1 3.1Å; N277-Q300 WeakPolarHBondContact O-CA 3.42Å
278	L	84.9	Confident	84.6	Confident	5 Å²	5	32.9 Å²	32.9	3%	0.026	17%	0.166	C	C	.	.			trans	-86.8	121.7	179.7	-59.3	176.1	0	0	0	110.2	V214 L241 E244 I276 V316 L319 I526	V214-L278 HydrophobicContact CG1-CB 4.38Å; L241-L278 HydrophobicContact CD1-CD1 4.5Å; E244-L278 PolarHBondContact N-O 2.95Å; I276-L278 HydrophobicContact CG2-CD1 4.13Å; I276-L278 HydrophobicContact CG2-CD2 3.81Å; I276-L278 HydrophobicContact CG2-CG 3.64Å; L278-V316 HydrophobicContact CD2-CG2 4.03Å; L278-L319 HydrophobicContact CB-CB 4.32Å; L278-L319 HydrophobicContact CD1-CD2 4.12Å; L278-I526 HydrophobicContact CD2-CG2 3.85Å
279	S	82.8	Confident	85.1	Confident	4 Å²	4	31.9 Å²	31.9	3%	0.028	15%	0.15	C	C	.	.			trans	-86.1	136.2	167	60	0	0	0	0	110.4	S301 P318 L319 S445	S279-S301 WeakPolarHBondContact OG-CB 3.36Å; S279-S301 PolarHBondContact OG-OG 3.47Å; S279-P318 CarbonylContact O-C 3.46Å; S279-P318 VanDerWaalsContact O-CA 3.27Å; S279-P318 WeakPolarHBondContact O-CA 3.28Å; S279-P318 WeakPolarHBondContact O-CB 3.45Å; S279-L319 PolarHBondContact O-N 3.09Å; S279-S445 WeakPolarHBondContact CB-OG 3.49Å; S279-S445 PolarHBondContact OG-OG 2.84Å
280	R	84.1	Confident	85.4	Confident	103 Å²	103	36.9 Å²	36.9	39%	0.389	18%	0.177	S	C	.	.			trans	-103.3	-38.1	169	170.8	-178.6	163.8	-173.2	-2	110.4	D211 V214 E244 L319	D211-R280 IonicContact OD1-NH1 3.33Å; D211-R280 IonicContact OD2-NH1 3.88Å; V214-R280 HydrophobicContact CG2-CB 4.44Å; E244-R280 WeakPolarHBondContact OE2-CA 3.24Å; E244-R280 VanDerWaalsContact OE2-CB 3.3Å; E244-R280 WeakPolarHBondContact OE2-CB 3.46Å; E244-R280 PolarHBondContact OE2-N 2.98Å; R280-L319 WeakPolarHBondContact CG-O 3.33Å
281	K	80.4	Confident	85.4	Confident	95 Å²	95	37.5 Å²	37.5	41%	0.413	18%	0.18	S	C	.	.	S	Bend	trans	-88.6	154.5	176.4	-60.7	176.8	-165	151.8	0	112	E244 D283 T284 S445	E244-K281 WeakPolarHBondContact OE1-CD 3.22Å; E244-K281 WeakPolarHBondContact OE1-CE 3.33Å; E244-K281 VanDerWaalsContact OE1-CG 3.26Å; E244-K281 WeakPolarHBondContact OE1-CG 3.28Å; E244-K281 IonicContact OE1-NZ 2.81Å; E244-K281 PolarHBondContact OE1-NZ 3.3Å; E244-K281 PolarHBondContact OE2-N 3.35Å; K281-D283 VanDerWaalsContact C-N 3.28Å; K281-D283 WeakPolarHBondContact CB-OD1 3.47Å; K281-D283 PolarHBondContact O-N 2.94Å; K281-T284 PolarHBondContact O-OG1 3.49Å; K281-S445 PolarHBondContact O-OG 3.05Å
282	S	76.5	Confident	85.5	Confident	33 Å²	33	39.1 Å²	39.1	23%	0.231	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-22	176.1	51.4	0	0	0	0	112.9	S407 L414	S282-S407 VanDerWaalsContact O-CB 3.22Å; S282-S407 WeakPolarHBondContact O-CB 3.23Å; S282-S407 PolarHBondContact O-OG 2.8Å; S282-L414 WeakPolarHBondContact OG-CD1 3.42Å
283	D	74	Confident	85.3	Confident	60 Å²	60	39.6 Å²	39.6	32%	0.321	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	2.8	-180	67.2	-16.6	0	0	0	113.9	K281 Q285	K281-D283 VanDerWaalsContact C-N 3.28Å; K281-D283 WeakPolarHBondContact CB-OD1 3.47Å; K281-D283 PolarHBondContact O-N 2.94Å; D283-Q285 PolarHBondContact O-N 3.02Å
284	T	74.8	Confident	84.9	Confident	16 Å²	16	40 Å²	40	10%	0.098	20%	0.201	C	C	.	.			trans	-59.8	123.7	179.9	-48.1	0	0	0	0	111.1	E244 K281	E244-T284 HydrophobicContact CG-CG2 4.26Å; E244-T284 PolarHBondContact OE2-OG1 3.32Å; K281-T284 PolarHBondContact O-OG1 3.49Å
285	Q	75.1	Confident	84.6	Confident	143 Å²	143	40.2 Å²	40.2	67%	0.668	20%	0.202	S	C	*	.			trans	-82.5	160.5	177.3	-64.2	-173.5	-1.8	0	0	112.1	D283 L287	D283-Q285 PolarHBondContact O-N 3.02Å; Q285-L287 PolarHBondContact O-N 3.45Å
286	N	84.1	Confident	84.5	Confident	16 Å²	16	40.2 Å²	40.2	9%	0.086	20%	0.202	C	C	.	.			trans	-74.6	93.5	174.4	-178.9	-2.6	0	0	0	111	L288 Y289 Q300 T302 Y304 Q307	N286-L288 PolarHBondContact O-N 3.46Å; N286-L288 PolarHBondContact OD1-N 3.48Å; N286-L288 VanDerWaalsContact OD1-N 3.09Å; N286-Y289 VanDerWaalsContact O-CB 3.3Å; N286-Y289 WeakPolarHBondContact O-CB 3.49Å; N286-Y289 PolarHBondContact O-N 3.09Å; N286-Y289 PolarHBondContact OD1-N 3.3Å; N286-Q300 PolarHBondContact OD1-OE1 3.26Å; N286-T302 HydrophobicContact CB-CG2 4.15Å; N286-Y304 HydrophobicContact CB-CE2 4.16Å; N286-Q307 PolarHBondContact ND2-OE1 2.88Å
287	L	81.9	Confident	84.5	Confident	49 Å²	49	40.2 Å²	40.2	26%	0.257	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.5	177.8	-66.6	168.9	0	0	0	113.8	G243 M245 Q285 Y289	G243-L287 VanDerWaalsContact O-CD1 3.3Å; G243-L287 WeakPolarHBondContact O-CD1 3.47Å; M245-L287 HydrophobicContact CE-CD1 3.86Å; M245-L287 HydrophobicContact CE-CD2 4.38Å; M245-L287 HydrophobicContact CG-CD1 4.21Å; M245-L287 HydrophobicContact SD-CD1 4.08Å; M245-L287 HydrophobicContact SD-CD2 4.06Å; Q285-L287 PolarHBondContact O-N 3.45Å; L287-Y289 VanDerWaalsContact C-N 3.31Å
288	L	87.3	Confident	84.7	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	4.7	-179.1	-63.1	174.2	0	0	0	112.4	L256 I275 N277 N286 N290 V291 V298 Q307	L256-L288 HydrophobicContact CD2-CD2 3.89Å; I275-L288 HydrophobicContact CG2-CD1 3.85Å; I275-L288 HydrophobicContact CG2-CD2 4.43Å; N277-L288 HydrophobicContact CB-CD1 4.21Å; N286-L288 PolarHBondContact O-N 3.46Å; N286-L288 PolarHBondContact OD1-N 3.48Å; N286-L288 VanDerWaalsContact OD1-N 3.09Å; L288-N290 PolarHBondContact O-N 2.79Å; L288-V291 HydrophobicContact CD2-CG1 4.48Å; L288-V291 PolarHBondContact O-N 3.18Å; L288-V298 HydrophobicContact CD1-CG1 3.54Å; L288-V298 HydrophobicContact CD1-CG2 4.45Å; L288-Q307 PolarHBondContact O-NE2 2.94Å
289	Y	86.6	Confident	85.2	Confident	95 Å²	95	39.7 Å²	39.7	37%	0.373	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	128	176.5	-169.5	-109.5	0	0	0	110.5	N286 L287 V291 Y304 V306	N286-Y289 VanDerWaalsContact O-CB 3.3Å; N286-Y289 WeakPolarHBondContact O-CB 3.49Å; N286-Y289 PolarHBondContact O-N 3.09Å; N286-Y289 PolarHBondContact OD1-N 3.3Å; L287-Y289 VanDerWaalsContact C-N 3.31Å; Y289-V291 PolarHBondContact O-N 3.23Å; Y289-Y304 AromaticContact CD2-CD2 3.36Å; Y289-Y304 HydrophobicContact CD2-CD2 3.36Å; Y289-Y304 AromaticContact CD2-CE2 3.62Å; Y289-Y304 HydrophobicContact CD2-CE2 3.62Å; Y289-Y304 HydrophobicContact CD2-CG 4.26Å; Y289-Y304 AromaticContact CE2-CD2 3.52Å; Y289-Y304 HydrophobicContact CE2-CD2 3.52Å; Y289-Y304 AromaticContact CE2-CE2 3.9Å; Y289-Y304 HydrophobicContact CE2-CE2 3.9Å; Y289-Y304 AromaticContact CE2-CG 4Å; Y289-Y304 HydrophobicContact CE2-CG 4Å; Y289-Y304 HydrophobicContact CG-CD2 4.35Å; Y289-Y304 HydrophobicContact CG-CE2 4.21Å; Y289-V306 HydrophobicContact CE2-CG2 4.49Å
290	N	86.1	Confident	85.7	Confident	126 Å²	126	39.6 Å²	39.6	67%	0.674	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	20.5	-173.2	-64.8	-21.5	0	0	0	115.8	L288	L288-N290 PolarHBondContact O-N 2.79Å
291	V	87.7	Confident	85.9	Confident	13 Å²	13	34.8 Å²	34.8	8%	0.079	18%	0.18	C	C	.	.			trans	-95.5	128.8	170.1	179.6	0	0	0	0	109.2	P253 L256 E257 L260 L288 Y289 T293	P253-V291 HydrophobicContact CB-CG2 3.75Å; L256-V291 HydrophobicContact CD2-CG2 4.3Å; E257-V291 HydrophobicContact CB-CG1 4.12Å; L260-V291 HydrophobicContact CD1-CG1 4.17Å; L288-V291 HydrophobicContact CD2-CG1 4.48Å; L288-V291 PolarHBondContact O-N 3.18Å; Y289-V291 PolarHBondContact O-N 3.23Å; V291-T293 PolarHBondContact O-N 3.01Å
292	S	87.3	Confident	86.3	Confident	49 Å²	49	30.8 Å²	30.8	34%	0.343	16%	0.164	S	C	.	.			trans	-75.9	109.1	172.9	-172.9	0	0	0	0	110.3	E257	E257-S292 VanDerWaalsContact CD-CB 3.48Å; E257-S292 WeakPolarHBondContact OE1-CB 3.26Å; E257-S292 WeakPolarHBondContact OE2-CB 3.46Å; E257-S292 PolarHBondContact OE2-N 2.86Å
293	T	88.1	Confident	87	Confident	14 Å²	14	29.2 Å²	29.2	9%	0.086	15%	0.153	C	C	.	.			trans	-94.2	1.4	176.9	58.3	0	0	0	0	113.3	I275 V291 R295 A296 V298	I275-T293 HydrophobicContact CD1-CG2 3.7Å; V291-T293 PolarHBondContact O-N 3.01Å; T293-R295 PolarHBondContact O-N 3.4Å; T293-A296 WeakPolarHBondContact O-CB 3.49Å; T293-A296 PolarHBondContact O-N 3.27Å; T293-V298 HydrophobicContact CG2-CG2 3.97Å
294	G	87.2	Confident	87.7	Confident	9 Å²	9	28.3 Å²	28.3	9%	0.093	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	-120.2	-176.9	0	0	0	0	0	112.6	D269 R309	D269-G294 CarbonylContact O-C 3.56Å; D269-G294 WeakPolarHBondContact O-CA 3.26Å; G294-R309 PolarHBondContact O-NH1 3.23Å; G294-R309 VanDerWaalsContact O-NH1 3.09Å
295	R	89.2	Confident	88.4	Confident	5 Å²	5	30.2 Å²	30.2	2%	0.019	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-2.8	177.5	-64.6	-177.9	-172.3	-120.6	-5	114	L168 P169 P171 N181 C182 D269 G270 H271 T293 M297 F312	L168-R295 PolarHBondContact O-NH2 3.17Å; P169-R295 VanDerWaalsContact C-NH2 3.34Å; P169-R295 PolarHBondContact O-NH2 3.3Å; P171-R295 HydrophobicContact CG-CG 4.49Å; N181-R295 PolarHBondContact O-NH1 2.91Å; C182-R295 HydrophobicContact CB-CB 4.21Å; C182-R295 HydrophobicContact CB-CG 4.04Å; D269-R295 PolarHBondContact O-N 2.86Å; D269-R295 WeakPolarHBondContact OD1-CD 3.34Å; D269-R295 IonicContact OD1-NE 2.73Å; D269-R295 VanDerWaalsContact OD2-CD 3.26Å; D269-R295 WeakPolarHBondContact OD2-CD 3.28Å; D269-R295 IonicContact OD2-CZ 3.76Å; D269-R295 IonicContact OD2-NE 3.06Å; D269-R295 PolarHBondContact OD2-NE 3.15Å; D269-R295 IonicContact OD2-NH2 3.8Å; G270-R295 CarbonylContact O-C 3.43Å; H271-R295 WeakPolarHBondContact CD2-CD 3.15Å; H271-R295 WeakPolarHBondContact NE2-CD 3.39Å; H271-R295 PolarHBondContact NE2-NE 2.81Å; H271-R295 VanDerWaalsContact NE2-NE 3.13Å; T293-R295 PolarHBondContact O-N 3.4Å; R295-M297 PolarHBondContact O-N 2.99Å; R295-F312 WeakPolarHBondContact O-CE1 3.43Å; R295-F312 WeakPolarHBondContact O-CZ 3.33Å
296	A	92.3	Very high	88.9	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.15	C	C	.	.			trans	-65.2	132.9	178.2	0	0	0	0	0	110.1	W266 G270 H273 I275 T293 R309	W266-A296 HydrophobicContact CH2-CB 3.49Å; W266-A296 VanDerWaalsContact CH2-CB 3.49Å; W266-A296 HydrophobicContact CZ2-CB 4.36Å; W266-A296 HydrophobicContact CZ3-CB 4.04Å; G270-A296 WeakPolarHBondContact O-CA 3.4Å; G270-A296 PolarHBondContact O-N 3.35Å; H273-A296 HydrophobicContact CB-CB 3.75Å; H273-A296 CarbonylContact O-C 3.44Å; H273-A296 VanDerWaalsContact O-CA 3.27Å; H273-A296 WeakPolarHBondContact O-CA 3.32Å; I275-A296 HydrophobicContact CD1-CB 4.04Å; I275-A296 HydrophobicContact CG1-CB 4.2Å; T293-A296 WeakPolarHBondContact O-CB 3.49Å; T293-A296 PolarHBondContact O-N 3.27Å; A296-R309 PolarHBondContact O-NH2 3.41Å
297	M	94.6	Very high	89.1	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	143.6	169.1	-83.9	-174.3	-116.5	0	0	109.7	L179 F183 H273 V274 I275 R295 F312 I534	L179-M297 HydrophobicContact CD2-CE 4.02Å; F183-M297 HydrophobicContact CD2-CE 3.46Å; F183-M297 VanDerWaalsContact CD2-CE 3.46Å; F183-M297 HydrophobicContact CE2-CE 3.75Å; H273-M297 PolarHBondContact O-N 2.99Å; V274-M297 CarbonylContact C-O 3.5Å; V274-M297 WeakPolarHBondContact CA-O 3.43Å; V274-M297 HydrophobicContact CG1-CB 4.47Å; V274-M297 HydrophobicContact CG2-CB 4.29Å; I275-M297 PolarHBondContact N-O 3.03Å; R295-M297 PolarHBondContact O-N 2.99Å; M297-F312 HydrophobicContact CB-CE1 4.28Å; M297-F312 HydrophobicContact CE-CE2 4.14Å; M297-F312 HydrophobicContact CE-CZ 4.48Å; M297-F312 HydrophobicContact CG-CD1 3.74Å; M297-F312 HydrophobicContact CG-CD2 4.12Å; M297-F312 HydrophobicContact CG-CE1 3.47Å; M297-F312 VanDerWaalsContact CG-CE1 3.47Å; M297-F312 HydrophobicContact CG-CE2 3.89Å; M297-F312 HydrophobicContact CG-CG 4.07Å; M297-F312 HydrophobicContact CG-CZ 3.56Å; M297-F312 VanDerWaalsContact CG-O 3.29Å; M297-F312 WeakPolarHBondContact CG-O 3.46Å; M297-I534 HydrophobicContact CE-CG2 4.28Å; M297-I534 HydrophobicContact SD-CD1 4.4Å; M297-I534 HydrophobicContact SD-CG1 4.16Å
298	V	94.5	Very high	89.6	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.3	176.3	-179.3	0	0	0	0	109.3	L288 T293 Q300 F303 D313 L314	L288-V298 HydrophobicContact CD1-CG1 3.54Å; L288-V298 HydrophobicContact CD1-CG2 4.45Å; T293-V298 HydrophobicContact CG2-CG2 3.97Å; V298-Q300 HydrophobicContact CG1-CB 4.38Å; V298-Q300 HydrophobicContact CG1-CG 3.93Å; V298-F303 HydrophobicContact CB-CE1 4.45Å; V298-F303 HydrophobicContact CB-CZ 4.39Å; V298-F303 HydrophobicContact CG1-CE1 4.23Å; V298-F303 HydrophobicContact CG1-CZ 4.11Å; V298-D313 PolarHBondContact N-OD1 2.94Å; V298-D313 WeakPolarHBondContact O-CB 3.34Å; V298-L314 PolarHBondContact O-N 2.87Å
299	A	95.1	Very high	89.8	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	108.1	174.1	0	0	0	0	0	109.4	V274 I275 I276 N277 L314 V316 V530	V274-A299 HydrophobicContact CG1-CB 4.46Å; I275-A299 PolarHBondContact O-N 3.45Å; I276-A299 HydrophobicContact CG1-CB 4.18Å; N277-A299 PolarHBondContact N-O 2.89Å; A299-L314 VanDerWaalsContact CA-O 3.28Å; A299-L314 WeakPolarHBondContact CA-O 3.16Å; A299-L314 HydrophobicContact CB-CB 3.78Å; A299-L314 HydrophobicContact CB-CD1 4.09Å; A299-V316 HydrophobicContact CB-CG1 3.86Å; A299-V530 HydrophobicContact CB-CG2 4.46Å
300	Q	92.3	Very high	89.9	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	162	-176.6	66.5	-177.9	-5.7	0	0	113.9	N277 N286 V298 T302 F303 L314 V316	N277-Q300 HydrophobicContact CB-CB 3.87Å; N277-Q300 PolarHBondContact ND2-OE1 3.1Å; N277-Q300 WeakPolarHBondContact O-CA 3.42Å; N286-Q300 PolarHBondContact OD1-OE1 3.26Å; V298-Q300 HydrophobicContact CG1-CB 4.38Å; V298-Q300 HydrophobicContact CG1-CG 3.93Å; Q300-T302 WeakPolarHBondContact CG-O 3.46Å; Q300-T302 PolarHBondContact NE2-O 3.33Å; Q300-F303 HydrophobicContact CB-CE2 4.34Å; Q300-F303 HydrophobicContact CG-CD1 4.21Å; Q300-F303 HydrophobicContact CG-CD2 3.72Å; Q300-F303 HydrophobicContact CG-CE1 3.82Å; Q300-F303 HydrophobicContact CG-CE2 3.27Å; Q300-F303 HydrophobicContact CG-CG 4.19Å; Q300-F303 HydrophobicContact CG-CZ 3.35Å; Q300-F303 VanDerWaalsContact NE2-CD1 3.26Å; Q300-F303 VanDerWaalsContact O-CE2 3.3Å; Q300-F303 WeakPolarHBondContact O-CE2 3.22Å; Q300-L314 PolarHBondContact N-O 3.07Å; Q300-L314 VanDerWaalsContact N-O 3.08Å; Q300-V316 PolarHBondContact O-N 2.74Å; Q300-V316 VanDerWaalsContact O-N 3.16Å
301	S	88.9	Confident	90.1	Very high	2 Å²	2	21 Å²	21	1%	0.014	13%	0.133	C	C	.	.	S	Bend	trans	-88.6	-6	-176.2	-40.9	0	0	0	0	114.3	S279 S444	S279-S301 WeakPolarHBondContact OG-CB 3.36Å; S279-S301 PolarHBondContact OG-OG 3.47Å; S301-S444 CarbonylContact O-C 3.57Å
302	T	89.4	Confident	90.3	Very high	11 Å²	11	20.5 Å²	20.5	7%	0.067	13%	0.13	C	C	.	.			trans	-135.6	126.7	178.7	-62.7	0	0	0	0	110.3	N286 Q300 I443 S445	N286-T302 HydrophobicContact CB-CG2 4.15Å; Q300-T302 WeakPolarHBondContact CG-O 3.46Å; Q300-T302 PolarHBondContact NE2-O 3.33Å; T302-I443 WeakPolarHBondContact CA-O 3.45Å; T302-S445 PolarHBondContact OG1-N 2.85Å
303	F	90.8	Very high	90.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.3	-179.5	-85	-79.4	0	0	0	112.5	V298 Q300 Y308 D313 L314 V315 L441 V442 I443	V298-F303 HydrophobicContact CB-CE1 4.45Å; V298-F303 HydrophobicContact CB-CZ 4.39Å; V298-F303 HydrophobicContact CG1-CE1 4.23Å; V298-F303 HydrophobicContact CG1-CZ 4.11Å; Q300-F303 HydrophobicContact CB-CE2 4.34Å; Q300-F303 HydrophobicContact CG-CD1 4.21Å; Q300-F303 HydrophobicContact CG-CD2 3.72Å; Q300-F303 HydrophobicContact CG-CE1 3.82Å; Q300-F303 HydrophobicContact CG-CE2 3.27Å; Q300-F303 HydrophobicContact CG-CG 4.19Å; Q300-F303 HydrophobicContact CG-CZ 3.35Å; Q300-F303 VanDerWaalsContact NE2-CD1 3.26Å; Q300-F303 VanDerWaalsContact O-CE2 3.3Å; Q300-F303 WeakPolarHBondContact O-CE2 3.22Å; F303-Y308 HydrophobicContact CB-CD2 4.45Å; F303-Y308 AromaticContact CD1-CD2 3.77Å; F303-Y308 HydrophobicContact CD1-CD2 3.77Å; F303-Y308 HydrophobicContact CD1-CG 4.27Å; F303-Y308 HydrophobicContact CD2-CD2 4.13Å; F303-Y308 AromaticContact CE1-CD2 3.9Å; F303-Y308 HydrophobicContact CE1-CD2 3.9Å; F303-Y308 HydrophobicContact CE2-CD2 4.23Å; F303-Y308 AromaticContact CG-CD2 3.88Å; F303-Y308 HydrophobicContact CG-CD2 3.88Å; F303-Y308 HydrophobicContact CG-CG 4.4Å; F303-Y308 HydrophobicContact CZ-CD2 4.1Å; F303-D313 HydrophobicContact CE1-CB 4.13Å; F303-D313 HydrophobicContact CZ-CB 3.97Å; F303-L314 VanDerWaalsContact CE2-O 3.27Å; F303-L314 WeakPolarHBondContact CE2-O 3.42Å; F303-V315 HydrophobicContact CD2-CG2 3.91Å; F303-V315 HydrophobicContact CE2-CG2 4.13Å; F303-L441 WeakPolarHBondContact O-CD1 3.22Å; F303-V442 HydrophobicContact CB-CB 3.87Å; F303-V442 HydrophobicContact CB-CG1 4.27Å; F303-V442 HydrophobicContact CB-CG2 4.48Å; F303-V442 WeakPolarHBondContact O-CB 3.26Å; F303-V442 PolarHBondContact O-N 3.14Å; F303-I443 HydrophobicContact CB-CG2 4.42Å; F303-I443 HydrophobicContact CD2-CG2 4.47Å; F303-I443 PolarHBondContact N-O 2.98Å; F303-I443 PolarHBondContact O-N 2.82Å
304	Y	89.2	Confident	91	Very high	42 Å²	42	17.6 Å²	17.6	17%	0.165	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	146.6	162.4	-61	-81.7	0	0	0	110.2	N286 Y289 V306 Q307 Y308 L408 R440 L441	N286-Y304 HydrophobicContact CB-CE2 4.16Å; Y289-Y304 AromaticContact CD2-CD2 3.36Å; Y289-Y304 HydrophobicContact CD2-CD2 3.36Å; Y289-Y304 AromaticContact CD2-CE2 3.62Å; Y289-Y304 HydrophobicContact CD2-CE2 3.62Å; Y289-Y304 HydrophobicContact CD2-CG 4.26Å; Y289-Y304 AromaticContact CE2-CD2 3.52Å; Y289-Y304 HydrophobicContact CE2-CD2 3.52Å; Y289-Y304 AromaticContact CE2-CE2 3.9Å; Y289-Y304 HydrophobicContact CE2-CE2 3.9Å; Y289-Y304 AromaticContact CE2-CG 4Å; Y289-Y304 HydrophobicContact CE2-CG 4Å; Y289-Y304 HydrophobicContact CG-CD2 4.35Å; Y289-Y304 HydrophobicContact CG-CE2 4.21Å; Y304-V306 PolarHBondContact O-N 3.16Å; Y304-V306 VanDerWaalsContact O-N 3.15Å; Y304-Q307 PolarHBondContact O-N 3Å; Y304-Y308 PolarHBondContact O-N 3.03Å; Y304-L408 VanDerWaalsContact OH-CD2 3.27Å; Y304-L408 WeakPolarHBondContact OH-CD2 3.45Å; Y304-R440 CarbonylContact C-O 3.55Å; Y304-R440 WeakPolarHBondContact CA-O 3.42Å; Y304-L441 HydrophobicContact CD1-CD1 3.97Å; Y304-L441 HydrophobicContact CE1-CD1 3.86Å
305	A	87.9	Confident	91.3	Very high	55 Å²	55	17.5 Å²	17.5	46%	0.455	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.1	-178.5	0	0	0	0	0	112.9	Q307 R440 V442	A305-Q307 VanDerWaalsContact C-N 3.3Å; A305-Q307 PolarHBondContact O-N 2.96Å; A305-R440 WeakPolarHBondContact CB-O 3.44Å; A305-R440 PolarHBondContact N-O 2.78Å; A305-V442 HydrophobicContact CB-CG2 4.01Å
306	V	86.9	Confident	91.5	Very high	68 Å²	68	17.2 Å²	17.2	41%	0.412	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-21.5	176.4	-67.8	0	0	0	0	114	R175 Y289 Y304	R175-V306 PolarHBondContact NE-O 3.27Å; Y289-V306 HydrophobicContact CE2-CG2 4.49Å; Y304-V306 PolarHBondContact O-N 3.16Å; Y304-V306 VanDerWaalsContact O-N 3.15Å
307	Q	88.6	Confident	91.4	Very high	36 Å²	36	17.4 Å²	17.4	17%	0.168	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-39.6	-179.2	-177	-176.3	23	0	0	111.7	N286 L288 Y304 A305 R309	N286-Q307 PolarHBondContact ND2-OE1 2.88Å; L288-Q307 PolarHBondContact O-NE2 2.94Å; Y304-Q307 PolarHBondContact O-N 3Å; A305-Q307 VanDerWaalsContact C-N 3.3Å; A305-Q307 PolarHBondContact O-N 2.96Å; Q307-R309 PolarHBondContact O-N 3.05Å
308	Y	90.9	Very high	91	Very high	26 Å²	26	17.3 Å²	17.3	10%	0.102	11%	0.107	C	C	.	.			trans	-65.6	125.8	-174.5	-179.2	-113	0	0	0	112	F303 Y304 P310 D313 V315 V442 Q469	F303-Y308 HydrophobicContact CB-CD2 4.45Å; F303-Y308 AromaticContact CD1-CD2 3.77Å; F303-Y308 HydrophobicContact CD1-CD2 3.77Å; F303-Y308 HydrophobicContact CD1-CG 4.27Å; F303-Y308 HydrophobicContact CD2-CD2 4.13Å; F303-Y308 AromaticContact CE1-CD2 3.9Å; F303-Y308 HydrophobicContact CE1-CD2 3.9Å; F303-Y308 HydrophobicContact CE2-CD2 4.23Å; F303-Y308 AromaticContact CG-CD2 3.88Å; F303-Y308 HydrophobicContact CG-CD2 3.88Å; F303-Y308 HydrophobicContact CG-CG 4.4Å; F303-Y308 HydrophobicContact CZ-CD2 4.1Å; Y304-Y308 PolarHBondContact O-N 3.03Å; Y308-P310 HydrophobicContact CD1-CG 4.08Å; Y308-P310 HydrophobicContact CE1-CB 4.18Å; Y308-P310 HydrophobicContact CE1-CG 3.94Å; Y308-P310 WeakPolarHBondContact O-CD 3.28Å; Y308-D313 HydrophobicContact CD2-CB 3.9Å; Y308-D313 HydrophobicContact CE2-CB 3.96Å; Y308-V315 HydrophobicContact CE2-CG2 3.89Å; Y308-V442 HydrophobicContact CD1-CG1 4.23Å; Y308-V442 HydrophobicContact CD1-CG2 4.25Å; Y308-V442 HydrophobicContact CG-CG1 4.39Å; Y308-V442 HydrophobicContact CG-CG2 4.37Å; Y308-Q469 HydrophobicContact CE1-CG 4.34Å
309	R	91.3	Very high	90.6	Very high	13 Å²	13	17.2 Å²	17.2	5%	0.049	11%	0.106	C	C	.	.			trans	-103.7	104	174.5	-61.3	166.5	-73.7	-172.1	3.7	109.8	G294 A296 Q307 G311 F312 D313	G294-R309 PolarHBondContact O-NH1 3.23Å; G294-R309 VanDerWaalsContact O-NH1 3.09Å; A296-R309 PolarHBondContact O-NH2 3.41Å; Q307-R309 PolarHBondContact O-N 3.05Å; R309-G311 PolarHBondContact O-N 2.86Å; R309-F312 HydrophobicContact CB-CB 4.01Å; R309-F312 HydrophobicContact CB-CD1 4.48Å; R309-F312 PolarHBondContact O-N 3.45Å; R309-F312 VanDerWaalsContact O-N 3.08Å; R309-D313 VanDerWaalsContact CB-OD2 3.23Å; R309-D313 WeakPolarHBondContact CB-OD2 3.35Å; R309-D313 WeakPolarHBondContact CG-OD2 3.3Å; R309-D313 IonicContact CZ-OD1 3.02Å; R309-D313 IonicContact CZ-OD2 3.49Å; R309-D313 PolarHBondContact N-OD2 2.64Å; R309-D313 IonicContact NE-OD1 3.44Å; R309-D313 PolarHBondContact NE-OD1 3.34Å; R309-D313 IonicContact NE-OD2 3.29Å; R309-D313 PolarHBondContact NE-OD2 2.95Å; R309-D313 IonicContact NH2-OD1 2.68Å; R309-D313 PolarHBondContact NH2-OD1 3.11Å; R309-D313 IonicContact NH2-OD2 3.9Å; R309-D313 PolarHBondContact NH2-OD2 3.39Å; R309-D313 PolarHBondContact O-N 2.83Å
310	P	89.8	Confident	89.8	Confident	66 Å²	66	18.7 Å²	18.7	43%	0.429	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	137.2	-178.6	-24.3	33.7	0	0	0	112.3	R178 Y308 F312	R178-P310 PolarHBondContact NH1-O 3.44Å; Y308-P310 HydrophobicContact CD1-CG 4.08Å; Y308-P310 HydrophobicContact CE1-CB 4.18Å; Y308-P310 HydrophobicContact CE1-CG 3.94Å; Y308-P310 WeakPolarHBondContact O-CD 3.28Å; P310-F312 PolarHBondContact O-N 2.68Å
311	G	89.4	Confident	89.2	Confident	28 Å²	28	20 Å²	20	29%	0.289	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	2.9	-177.6	0	0	0	0	0	115.1	R309 R537	R309-G311 PolarHBondContact O-N 2.86Å; G311-R537 VanDerWaalsContact C-NH2 3.3Å; G311-R537 VanDerWaalsContact O-CZ 3.27Å; G311-R537 PolarHBondContact O-NE 3.44Å
312	F	92.6	Very high	87.9	Confident	2 Å²	2	20.4 Å²	20.4	1%	0.009	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-53.9	176.8	-168.5	-103.5	0	0	0	111.2	C177 L179 C182 F183 R295 M297 R309 P310 R537	C177-F312 HydrophobicContact CB-CD1 4.29Å; C177-F312 HydrophobicContact CB-CE1 4.32Å; L179-F312 HydrophobicContact CD2-CD2 4.16Å; L179-F312 HydrophobicContact CD2-CE2 4.4Å; L179-F312 HydrophobicContact CG-CD2 4.44Å; C182-F312 HydrophobicContact CB-CE2 4.06Å; C182-F312 HydrophobicContact CB-CZ 3.91Å; F183-F312 HydrophobicContact CB-CE2 4.44Å; R295-F312 WeakPolarHBondContact O-CE1 3.43Å; R295-F312 WeakPolarHBondContact O-CZ 3.33Å; M297-F312 HydrophobicContact CB-CE1 4.28Å; M297-F312 HydrophobicContact CE-CE2 4.14Å; M297-F312 HydrophobicContact CE-CZ 4.48Å; M297-F312 HydrophobicContact CG-CD1 3.74Å; M297-F312 HydrophobicContact CG-CD2 4.12Å; M297-F312 HydrophobicContact CG-CE1 3.47Å; M297-F312 VanDerWaalsContact CG-CE1 3.47Å; M297-F312 HydrophobicContact CG-CE2 3.89Å; M297-F312 HydrophobicContact CG-CG 4.07Å; M297-F312 HydrophobicContact CG-CZ 3.56Å; M297-F312 VanDerWaalsContact CG-O 3.29Å; M297-F312 WeakPolarHBondContact CG-O 3.46Å; R309-F312 HydrophobicContact CB-CB 4.01Å; R309-F312 HydrophobicContact CB-CD1 4.48Å; R309-F312 PolarHBondContact O-N 3.45Å; R309-F312 VanDerWaalsContact O-N 3.08Å; P310-F312 PolarHBondContact O-N 2.68Å; F312-R537 VanDerWaalsContact C-NH1 3.28Å; F312-R537 PolarHBondContact O-NH1 3.32Å
313	D	94.6	Very high	86.6	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.144	C	C	.	.	S	Bend	trans	-77.9	167.3	174.1	-66.6	-39.2	0	0	0	112.3	V298 F303 Y308 R309 R537	V298-D313 PolarHBondContact N-OD1 2.94Å; V298-D313 WeakPolarHBondContact O-CB 3.34Å; F303-D313 HydrophobicContact CE1-CB 4.13Å; F303-D313 HydrophobicContact CZ-CB 3.97Å; Y308-D313 HydrophobicContact CD2-CB 3.9Å; Y308-D313 HydrophobicContact CE2-CB 3.96Å; R309-D313 VanDerWaalsContact CB-OD2 3.23Å; R309-D313 WeakPolarHBondContact CB-OD2 3.35Å; R309-D313 WeakPolarHBondContact CG-OD2 3.3Å; R309-D313 IonicContact CZ-OD1 3.02Å; R309-D313 IonicContact CZ-OD2 3.49Å; R309-D313 PolarHBondContact N-OD2 2.64Å; R309-D313 IonicContact NE-OD1 3.44Å; R309-D313 PolarHBondContact NE-OD1 3.34Å; R309-D313 IonicContact NE-OD2 3.29Å; R309-D313 PolarHBondContact NE-OD2 2.95Å; R309-D313 IonicContact NH2-OD1 2.68Å; R309-D313 PolarHBondContact NH2-OD1 3.11Å; R309-D313 IonicContact NH2-OD2 3.9Å; R309-D313 PolarHBondContact NH2-OD2 3.39Å; R309-D313 PolarHBondContact O-N 2.83Å; D313-R537 PolarHBondContact O-NH1 3.17Å; D313-R537 PolarHBondContact O-NH2 2.91Å; D313-R537 VanDerWaalsContact O-NH2 3.1Å
314	L	94.9	Very high	85.2	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	114.8	-170.3	-77	157.9	0	0	0	110.3	V298 A299 Q300 F303 V316 Y472 V530 M533 I534	V298-L314 PolarHBondContact O-N 2.87Å; A299-L314 VanDerWaalsContact CA-O 3.28Å; A299-L314 WeakPolarHBondContact CA-O 3.16Å; A299-L314 HydrophobicContact CB-CB 3.78Å; A299-L314 HydrophobicContact CB-CD1 4.09Å; Q300-L314 PolarHBondContact N-O 3.07Å; Q300-L314 VanDerWaalsContact N-O 3.08Å; F303-L314 VanDerWaalsContact CE2-O 3.27Å; F303-L314 WeakPolarHBondContact CE2-O 3.42Å; L314-V316 HydrophobicContact CB-CG1 4.4Å; L314-V316 PolarHBondContact O-N 3.03Å; L314-Y472 HydrophobicContact CD2-CD1 4.42Å; L314-V530 HydrophobicContact CD1-CG1 4.07Å; L314-M533 HydrophobicContact CD2-CB 3.93Å; L314-M533 HydrophobicContact CD2-CE 3.21Å; L314-M533 HydrophobicContact CD2-CG 3.56Å; L314-M533 HydrophobicContact CD2-SD 3.5Å; L314-M533 WeakPolarHBondContact CD2-SD 3.47Å; L314-M533 HydrophobicContact CG-CE 4.26Å; L314-I534 HydrophobicContact CD1-CD1 4.01Å; L314-I534 HydrophobicContact CD1-CG1 3.95Å
315	V	94.3	Very high	84.1	Confident	6 Å²	6	32.9 Å²	32.9	4%	0.036	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	119.2	165.2	-179.6	0	0	0	0	108.2	F303 Y308 I443 Q469 P471 Y472	F303-V315 HydrophobicContact CD2-CG2 3.91Å; F303-V315 HydrophobicContact CE2-CG2 4.13Å; Y308-V315 HydrophobicContact CE2-CG2 3.89Å; V315-I443 HydrophobicContact CG1-CD1 3.88Å; V315-I443 HydrophobicContact CG1-CG2 3.7Å; V315-I443 HydrophobicContact CG2-CG2 4.25Å; V315-Q469 HydrophobicContact CG2-CB 4.33Å; V315-P471 HydrophobicContact CG1-CB 4.46Å; V315-P471 HydrophobicContact CG1-CG 4.3Å; V315-P471 WeakPolarHBondContact O-CA 3.19Å; V315-Y472 WeakPolarHBondContact O-CD1 3.47Å; V315-Y472 PolarHBondContact O-N 2.93Å; V315-Y472 VanDerWaalsContact O-N 3.11Å
316	V	92.8	Very high	83.1	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.			trans	-110.6	159.4	179.5	-54	0	0	0	0	111.4	L278 A299 Q300 L314 Y472 V530	L278-V316 HydrophobicContact CD2-CG2 4.03Å; A299-V316 HydrophobicContact CB-CG1 3.86Å; Q300-V316 PolarHBondContact O-N 2.74Å; Q300-V316 VanDerWaalsContact O-N 3.16Å; L314-V316 HydrophobicContact CB-CG1 4.4Å; L314-V316 PolarHBondContact O-N 3.03Å; V316-Y472 HydrophobicContact CB-CE1 4.41Å; V316-Y472 HydrophobicContact CG1-CE1 3.9Å; V316-V530 HydrophobicContact CG1-CG2 3.79Å
317	S	89.8	Confident	82.4	Confident	3 Å²	3	31.5 Å²	31.5	2%	0.021	18%	0.177	C	C	.	.			trans	-73.7	149.3	172.1	179.3	0	0	0	0	110.9	F520	S317-F520 VanDerWaalsContact CB-CD1 3.49Å
318	P	87.8	Confident	81.6	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.177	C	C	.	.			trans	-60	149.4	167.4	26.7	-35.9	0	0	0	111.4	S279 V320 A448	S279-P318 CarbonylContact O-C 3.46Å; S279-P318 VanDerWaalsContact O-CA 3.27Å; S279-P318 WeakPolarHBondContact O-CA 3.28Å; S279-P318 WeakPolarHBondContact O-CB 3.45Å; P318-V320 HydrophobicContact CB-CG2 4.31Å; P318-V320 HydrophobicContact CG-CG2 4.2Å; P318-V320 PolarHBondContact O-N 2.97Å; P318-A448 HydrophobicContact CG-CB 4.23Å
319	L	85.1	Confident	80.7	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.192	C	C	.	.			trans	-87.2	79.1	177	-175.8	63.2	0	0	0	110.2	V214 L278 S279 R280 A322 A523 I526	V214-L319 HydrophobicContact CB-CD2 4.44Å; V214-L319 HydrophobicContact CG1-CD2 4.17Å; V214-L319 HydrophobicContact CG2-CD2 4.2Å; L278-L319 HydrophobicContact CB-CB 4.32Å; L278-L319 HydrophobicContact CD1-CD2 4.12Å; S279-L319 PolarHBondContact O-N 3.09Å; R280-L319 WeakPolarHBondContact CG-O 3.33Å; L319-A322 HydrophobicContact CD2-CB 4.36Å; L319-A322 HydrophobicContact CG-CB 4.42Å; L319-A523 HydrophobicContact CD1-CB 3.69Å; L319-A523 HydrophobicContact CD2-CB 4.43Å; L319-I526 HydrophobicContact CD1-CD1 3.97Å
320	V	78.9	Confident	80.1	Confident	31 Å²	31	40.1 Å²	40.1	19%	0.188	22%	0.219	C	C	.	.	S	Bend	trans	-78.7	-45.6	-179.7	-177.3	0	0	0	0	111.2	P318 F452	P318-V320 HydrophobicContact CB-CG2 4.31Å; P318-V320 HydrophobicContact CG-CG2 4.2Å; P318-V320 PolarHBondContact O-N 2.97Å; V320-F452 HydrophobicContact CB-CD1 4.01Å; V320-F452 HydrophobicContact CB-CE1 3.55Å; V320-F452 HydrophobicContact CB-CE2 4.43Å; V320-F452 HydrophobicContact CB-CZ 3.77Å; V320-F452 HydrophobicContact CG1-CD1 4.29Å; V320-F452 HydrophobicContact CG1-CE1 3.78Å; V320-F452 HydrophobicContact CG1-CZ 4.39Å; V320-F452 HydrophobicContact CG2-CD1 3.69Å; V320-F452 HydrophobicContact CG2-CD2 4.44Å; V320-F452 HydrophobicContact CG2-CE1 3.78Å; V320-F452 HydrophobicContact CG2-CE2 4.5Å; V320-F452 HydrophobicContact CG2-CG 4.04Å; V320-F452 HydrophobicContact CG2-CZ 4.18Å
321	H	78.5	Confident	79.8	Confident	29 Å²	29	38.1 Å²	38.1	13%	0.134	21%	0.205	C	C	.	.	S	Bend	trans	-102.9	103.1	173.8	-56.4	-59.2	0	0	0	110	R418 F452 E456 S521	H321-R418 PolarHBondContact CE1-NH2 2.89Å; H321-R418 PolarHBondContact NE2-NH2 3.15Å; H321-F452 AromaticContact CD2-CZ 3.71Å; H321-E456 IonicContact CE1-OE1 2.7Å; H321-E456 PolarHBondContact CE1-OE1 2.92Å; H321-E456 IonicContact NE2-OE1 2.95Å; H321-E456 PolarHBondContact NE2-OE1 3.42Å; H321-S521 VanDerWaalsContact CB-O 3.3Å; H321-S521 WeakPolarHBondContact CB-O 3.33Å; H321-S521 PolarHBondContact CD2-O 3Å
322	A	63.4	Low	79.8	Confident	10 Å²	10	37.7 Å²	37.7	8%	0.083	20%	0.197	C	C	.	.	S	Bend	trans	-75.8	-39.6	-172.4	0	0	0	0	0	114.1	L213 A217 L319 A523	L213-A322 HydrophobicContact CD1-CB 4.12Å; L213-A322 HydrophobicContact CD2-CB 3.48Å; L213-A322 VanDerWaalsContact CD2-CB 3.48Å; L213-A322 HydrophobicContact CG-CB 3.46Å; L213-A322 VanDerWaalsContact CG-CB 3.46Å; A217-A322 HydrophobicContact CB-CB 4.3Å; A217-A322 WeakPolarHBondContact CB-O 3.05Å; L319-A322 HydrophobicContact CD2-CB 4.36Å; L319-A322 HydrophobicContact CG-CB 4.42Å; A322-A523 WeakPolarHBondContact O-CB 3.39Å
323	M	60.8	Low	79.7	Confident	96 Å²	96	41.2 Å²	41.2	47%	0.473	22%	0.22	S	C	.	.	S	Bend	trans	-135.1	-27	-164.9	-69.8	-87.6	-78.6	0	0	115.3	L213 Q216 A217	L213-M323 HydrophobicContact CD1-CG 3.79Å; Q216-M323 HydrophobicContact CG-CE 3.88Å; Q216-M323 HydrophobicContact CG-SD 4.24Å; A217-M323 VanDerWaalsContact CA-SD 3.53Å; A217-M323 HydrophobicContact CB-CG 4.12Å; A217-M323 HydrophobicContact CB-SD 3.87Å
324	S	61.6	Low	79.6	Confident	79 Å²	79	41.7 Å²	41.7	55%	0.552	22%	0.222	S	C	*	.	S	Bend	trans	-100.5	135.9	-176.7	55	0	0	0	0	111.3
325	E	65.9	Low	79.4	Confident	140 Å²	140	45 Å²	45	65%	0.654	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-51.8	137.7	160.7	-72.7	-171.7	179	0	0	109.1	N327	E325-N327 PolarHBondContact O-N 3.37Å
326	P	66.3	Low	79.3	Confident	15 Å²	15	49.2 Å²	49.2	10%	0.097	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-60.5	133.7	178.8	22.6	-30.8	0	0	0	110.2	F328 I331 W516	P326-F328 PolarHBondContact O-N 2.78Å; P326-I331 HydrophobicContact CB-CD1 4.12Å; P326-W516 HydrophobicContact CB-CH2 3.32Å; P326-W516 HydrophobicContact CB-CZ2 4.03Å; P326-W516 HydrophobicContact CB-CZ3 4.15Å; P326-W516 HydrophobicContact CG-CH2 3.41Å; P326-W516 VanDerWaalsContact CG-CH2 3.41Å; P326-W516 HydrophobicContact CG-CZ2 4.21Å; P326-W516 HydrophobicContact CG-CZ3 3.8Å
327	N	73.8	Confident	79.3	Confident	78 Å²	78	50.2 Å²	50.2	42%	0.417	28%	0.276	S	S	.	.			trans	-65	105.5	178.1	-175	-2	0	0	0	109.8	E325 M329 E330	E325-N327 PolarHBondContact O-N 3.37Å; N327-M329 PolarHBondContact O-N 2.96Å; N327-M329 VanDerWaalsContact OD1-CB 3.29Å; N327-M329 WeakPolarHBondContact OD1-CB 3.41Å; N327-M329 PolarHBondContact OD1-N 3.18Å; N327-M329 VanDerWaalsContact OD1-N 3.07Å; N327-E330 HydrophobicContact CB-CB 4.36Å; N327-E330 HydrophobicContact CB-CG 4.15Å; N327-E330 PolarHBondContact ND2-OE1 2.7Å; N327-E330 PolarHBondContact O-N 3.22Å
328	F	71.9	Confident	79.5	Confident	38 Å²	38	55.6 Å²	55.6	17%	0.167	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-23	178.5	-60.3	-78.1	0	0	0	113.1	P326 E330 I331 P818 V886	P326-F328 PolarHBondContact O-N 2.78Å; F328-E330 VanDerWaalsContact C-N 3.33Å; F328-I331 HydrophobicContact CD1-CD1 4.22Å; F328-P818 HydrophobicContact CE2-CB 4.25Å; F328-P818 HydrophobicContact CZ-CB 4.27Å; F328-P818 HydrophobicContact CZ-CG 4.3Å; F328-V886 HydrophobicContact CB-CG1 4.41Å; F328-V886 HydrophobicContact CD1-CG1 4.41Å; F328-V886 HydrophobicContact CG-CG1 4.27Å
329	M	71.1	Confident	79.9	Confident	87 Å²	87	57.2 Å²	57.2	43%	0.429	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.7	178.4	-58.6	-65.8	-91.8	0	0	114	N327 F882 K885	N327-M329 PolarHBondContact O-N 2.96Å; N327-M329 VanDerWaalsContact OD1-CB 3.29Å; N327-M329 WeakPolarHBondContact OD1-CB 3.41Å; N327-M329 PolarHBondContact OD1-N 3.18Å; N327-M329 VanDerWaalsContact OD1-N 3.07Å; M329-F882 HydrophobicContact SD-CE2 4.34Å; M329-K885 HydrophobicContact CE-CD 3.81Å; M329-K885 HydrophobicContact SD-CD 3.48Å; M329-K885 WeakPolarHBondContact SD-CD 3.45Å; M329-K885 WeakPolarHBondContact SD-CE 3.23Å; M329-K885 HydrophobicContact SD-CG 4.02Å
330	E	77.8	Confident	80.4	Confident	131 Å²	131	62.5 Å²	62.5	61%	0.612	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-12.6	-179.2	-70.8	171.6	-154.3	0	0	113	N327 F328	N327-E330 HydrophobicContact CB-CB 4.36Å; N327-E330 HydrophobicContact CB-CG 4.15Å; N327-E330 PolarHBondContact ND2-OE1 2.7Å; N327-E330 PolarHBondContact O-N 3.22Å; F328-E330 VanDerWaalsContact C-N 3.33Å
331	I	83.9	Confident	81.3	Confident	24 Å²	24	62.9 Å²	62.9	12%	0.123	33%	0.326	C	S	.	.	S	Bend	trans	-74.4	129.6	179.6	-73.8	148	0	0	0	109.4	P326 F328 R513 W516	P326-I331 HydrophobicContact CB-CD1 4.12Å; F328-I331 HydrophobicContact CD1-CD1 4.22Å; I331-R513 VanDerWaalsContact CG1-NH1 3.32Å; I331-W516 HydrophobicContact CD1-CH2 4.03Å; I331-W516 HydrophobicContact CD1-CZ3 4.11Å; I331-W516 HydrophobicContact CG1-CH2 4.4Å
332	P	89.4	Confident	82.1	Confident	20 Å²	20	62.6 Å²	62.6	13%	0.13	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-70.8	148.3	-178.8	29.6	-35.2	0	0	0	111.6	K426 V457	P332-K426 HydrophobicContact CB-CG 4.3Å; P332-K426 HydrophobicContact CG-CG 4.22Å; P332-V457 HydrophobicContact CG-CB 3.92Å; P332-V457 WeakPolarHBondContact CG-O 3.46Å
333	P	91.8	Very high	83.8	Confident	75 Å²	75	62.2 Å²	62.2	49%	0.487	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-64.7	151.5	174.6	29.2	-35.2	0	0	0	111.1	V335 R339 G888	P333-V335 VanDerWaalsContact C-N 3.28Å; P333-R339 PolarHBondContact O-NH2 2.85Å; P333-G888 CarbonylContact C-O 3.51Å; P333-G888 VanDerWaalsContact CA-O 3.31Å; P333-G888 WeakPolarHBondContact CA-O 3.46Å
334	Q	91.7	Very high	85.5	Confident	11 Å²	11	57.8 Å²	57.8	5%	0.051	30%	0.3	C	S	.	.	S	Bend	trans	-78.1	-19.1	179.3	-55.2	-172.6	29.3	0	0	112.3	L506 R509 G888	Q334-L506 HydrophobicContact CB-CD1 4.06Å; Q334-R509 PolarHBondContact O-NH1 3.45Å; Q334-G888 PolarHBondContact N-O 3.05Å
335	V	90.8	Very high	87.1	Confident	72 Å²	72	54.1 Å²	54.1	44%	0.436	28%	0.275	S	S	.	.			trans	-110.3	140.5	173.8	-67.4	0	0	0	0	110.4	P333 V337 L506	P333-V335 VanDerWaalsContact C-N 3.28Å; V335-V337 HydrophobicContact CG1-CG2 4.4Å; V335-L506 HydrophobicContact CG1-CD1 4.35Å
336	P	92.7	Very high	88.4	Confident	93 Å²	93	49.2 Å²	49.2	60%	0.604	25%	0.252	S	S	*	.	S	Bend	cis	-69.3	146.9	3.7	30.6	-36.3	0	0	0	113	R509	P336-R509 PolarHBondContact O-NH1 3.13Å
337	V	93	Very high	89.5	Confident	22 Å²	22	48.5 Å²	48.5	13%	0.133	25%	0.247	C	C	.	.	S	Bend	trans	-63.6	-46.4	-175.6	-176.5	0	0	0	0	110.3	V335 D502 L505 L506 R509	V335-V337 HydrophobicContact CG1-CG2 4.4Å; V337-D502 HydrophobicContact CB-CB 4.48Å; V337-D502 HydrophobicContact CG1-CB 4.23Å; V337-D502 VanDerWaalsContact CG1-O 3.31Å; V337-D502 WeakPolarHBondContact CG1-O 3.44Å; V337-L505 HydrophobicContact CG1-CB 3.64Å; V337-L505 HydrophobicContact CG1-CD2 3.42Å; V337-L505 VanDerWaalsContact CG1-CD2 3.42Å; V337-L505 HydrophobicContact CG1-CG 3.55Å; V337-L506 HydrophobicContact CG1-CB 4.29Å; V337-L506 HydrophobicContact CG2-CB 4.09Å; V337-L506 HydrophobicContact CG2-CD1 4.4Å; V337-L506 HydrophobicContact CG2-CD2 4.46Å; V337-R509 PolarHBondContact O-NH1 3.25Å; V337-R509 PolarHBondContact O-NH2 3.11Å
338	K	94.1	Very high	90.2	Very high	115 Å²	115	46 Å²	46	50%	0.5	23%	0.233	S	C	.	.	S	Bend	trans	-92.3	129.9	170.5	-69.9	171.3	172	144.1	0	109.7	D502 L505	K338-D502 WeakPolarHBondContact CE-OD1 3.42Å; K338-D502 IonicContact NZ-OD1 2.96Å; K338-D502 PolarHBondContact NZ-OD1 3.36Å; K338-L505 HydrophobicContact CG-CD2 4.15Å
339	R	95.3	Very high	90.5	Very high	34 Å²	34	45.6 Å²	45.6	13%	0.128	23%	0.231	C	C	.	.			trans	-104.6	178.7	178.5	-67.4	171.7	172.7	174.9	1.3	110.2	P333 Y341 L425 K426 L427 S428 T429 V457 R509	P333-R339 PolarHBondContact O-NH2 2.85Å; R339-Y341 VanDerWaalsContact C-N 3.33Å; R339-Y341 PolarHBondContact O-N 3.05Å; R339-L425 PolarHBondContact NH1-O 3.4Å; R339-K426 VanDerWaalsContact CD-O 3.27Å; R339-K426 WeakPolarHBondContact CD-O 3.36Å; R339-K426 PolarHBondContact NE-O 3.23Å; R339-K426 PolarHBondContact NH1-O 3.47Å; R339-L427 VanDerWaalsContact CB-O 3.25Å; R339-L427 WeakPolarHBondContact CB-O 3.44Å; R339-S428 WeakPolarHBondContact CD-O 3.15Å; R339-S428 PolarHBondContact NH1-O 3.33Å; R339-T429 PolarHBondContact N-OG1 3.16Å; R339-V457 VanDerWaalsContact CZ-O 3.31Å; R339-V457 PolarHBondContact NH1-O 3.12Å; R339-V457 PolarHBondContact NH2-O 2.83Å; R339-R509 VanDerWaalsContact CD-NH2 3.33Å
340	K	95.8	Very high	90.4	Very high	112 Å²	112	44.2 Å²	44.2	49%	0.487	23%	0.225	S	C	.	.	S	Bend	trans	-49.7	-51.6	-175.3	-179.5	-176.3	178.3	-166.5	0	112.3	Q393 L427	K340-Q393 VanDerWaalsContact CG-OE1 3.25Å; K340-Q393 WeakPolarHBondContact O-CB 3.4Å; K340-L427 HydrophobicContact CB-CB 4.38Å; K340-L427 HydrophobicContact CD-CD1 4.46Å; K340-L427 PolarHBondContact N-O 3.42Å
341	Y	97.2	Very high	89.6	Confident	39 Å²	39	42.3 Å²	42.3	15%	0.153	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	136.8	178.3	-59.5	-74.8	0	0	0	110.6	R339 T344 Q393 L395 L424 L427 T429	R339-Y341 VanDerWaalsContact C-N 3.33Å; R339-Y341 PolarHBondContact O-N 3.05Å; Y341-T344 HydrophobicContact CD1-CG2 4.49Å; Y341-T344 HydrophobicContact CD2-CG2 4.02Å; Y341-T344 HydrophobicContact CG-CG2 3.77Å; Y341-Q393 CarbonylContact C-O 3.12Å; Y341-Q393 VanDerWaalsContact CA-O 3.23Å; Y341-Q393 WeakPolarHBondContact CA-O 3.41Å; Y341-Q393 HydrophobicContact CD1-CB 4.01Å; Y341-Q393 HydrophobicContact CE1-CB 4.46Å; Y341-L395 HydrophobicContact CD1-CB 4.05Å; Y341-L395 HydrophobicContact CE1-CB 4.02Å; Y341-L424 HydrophobicContact CD2-CD1 4.23Å; Y341-L424 HydrophobicContact CE2-CD1 4.02Å; Y341-L427 HydrophobicContact CD2-CB 3.91Å; Y341-L427 HydrophobicContact CE2-CB 4.14Å; Y341-L427 HydrophobicContact CE2-CD1 4.3Å; Y341-L427 PolarHBondContact N-O 3.21Å; Y341-T429 WeakPolarHBondContact O-CB 3.38Å; Y341-T429 PolarHBondContact O-N 3.42Å; Y341-T429 PolarHBondContact O-OG1 2.94Å
342	L	96.9	Very high	87.9	Confident	24 Å²	24	44.1 Å²	44.1	13%	0.126	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	-58.6	170.7	177.6	65.2	0	0	0	108.8	D392 Q393 V394 T429 F430 L497 R498	L342-D392 HydrophobicContact CB-CB 4.18Å; L342-D392 HydrophobicContact CD2-CB 4.13Å; L342-Q393 PolarHBondContact N-O 3.24Å; L342-V394 HydrophobicContact CB-CG2 4.3Å; L342-T429 VanDerWaalsContact O-CB 3.28Å; L342-T429 WeakPolarHBondContact O-CB 3.39Å; L342-F430 HydrophobicContact CD1-CD2 4.1Å; L342-F430 HydrophobicContact CD1-CE2 4Å; L342-F430 VanDerWaalsContact O-CD2 3.26Å; L342-F430 WeakPolarHBondContact O-CD2 3.28Å; L342-F430 PolarHBondContact O-N 3.35Å; L342-L497 HydrophobicContact CD1-CB 4.47Å; L342-R498 HydrophobicContact CD2-CG 4.17Å
343	F	97.1	Very high	85.7	Confident	1 Å²	1	47.4 Å²	47.4	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	156.9	170.8	67	-96.7	0	0	0	111	L383 V386 V394 L395 V396 F430 L432 L497	F343-L383 HydrophobicContact CE2-CD2 3.94Å; F343-L383 HydrophobicContact CZ-CD2 3.96Å; F343-V386 HydrophobicContact CE1-CG1 4.25Å; F343-V386 HydrophobicContact CZ-CG1 4.1Å; F343-V394 HydrophobicContact CD1-CG1 4.45Å; F343-V394 HydrophobicContact CD1-CG2 4.02Å; F343-V394 HydrophobicContact CD2-CG1 3.9Å; F343-V394 HydrophobicContact CE1-CG1 3.99Å; F343-V394 HydrophobicContact CE1-CG2 3.67Å; F343-V394 HydrophobicContact CE2-CG1 3.36Å; F343-V394 HydrophobicContact CG-CG1 4.41Å; F343-V394 HydrophobicContact CZ-CB 4.36Å; F343-V394 HydrophobicContact CZ-CG1 3.41Å; F343-V394 VanDerWaalsContact CZ-CG1 3.41Å; F343-V394 HydrophobicContact CZ-CG2 3.97Å; F343-L395 PolarHBondContact O-N 2.9Å; F343-V396 HydrophobicContact CD2-CG1 4.4Å; F343-V396 HydrophobicContact CE2-CG1 3.82Å; F343-F430 VanDerWaalsContact CA-O 3.27Å; F343-F430 WeakPolarHBondContact CA-O 3.35Å; F343-F430 HydrophobicContact CB-CB 3.83Å; F343-L432 HydrophobicContact CD2-CB 4.49Å; F343-L432 HydrophobicContact CD2-CD2 4.46Å; F343-L432 HydrophobicContact CE2-CD2 4.43Å; F343-L497 HydrophobicContact CB-CD1 4.16Å; F343-L497 HydrophobicContact CD1-CD1 3.71Å; F343-L497 HydrophobicContact CE1-CD1 4.47Å; F343-L497 HydrophobicContact CG-CD1 4.2Å
344	T	97.1	Very high	83.2	Confident	3 Å²	3	53 Å²	53	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	150.1	176.1	60.9	0	0	0	0	112.3	Y341 L395 L424 S428 F430 L432	Y341-T344 HydrophobicContact CD1-CG2 4.49Å; Y341-T344 HydrophobicContact CD2-CG2 4.02Å; Y341-T344 HydrophobicContact CG-CG2 3.77Å; T344-L395 CarbonylContact C-O 3.6Å; T344-L395 WeakPolarHBondContact CA-O 3.06Å; T344-L395 HydrophobicContact CG2-CB 3.98Å; T344-L424 HydrophobicContact CG2-CD1 4.1Å; T344-L424 HydrophobicContact CG2-CG 4.31Å; T344-S428 WeakPolarHBondContact CB-OG 3.33Å; T344-S428 WeakPolarHBondContact CG2-OG 3.42Å; T344-S428 WeakPolarHBondContact OG1-CB 3.47Å; T344-S428 PolarHBondContact OG1-OG 3.3Å; T344-F430 PolarHBondContact N-O 3.31Å; T344-L432 WeakPolarHBondContact O-CB 3.41Å; T344-L432 PolarHBondContact O-N 2.84Å
345	F	95.5	Very high	80.9	Confident	3 Å²	3	55 Å²	55	1%	0.013	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	133.4	171.5	-179.2	-101.5	0	0	0	109.6	L395 V396 E397 F398 W412 L432 I434	F345-L395 PolarHBondContact N-O 3.23Å; F345-V396 HydrophobicContact CB-CB 4.36Å; F345-V396 HydrophobicContact CB-CG1 3.93Å; F345-V396 CarbonylContact O-C 3.59Å; F345-V396 WeakPolarHBondContact O-CA 3.2Å; F345-E397 PolarHBondContact O-N 3.25Å; F345-F398 AromaticContact CD1-CD1 3.94Å; F345-F398 HydrophobicContact CD1-CD1 3.94Å; F345-F398 AromaticContact CD1-CE1 3.6Å; F345-F398 HydrophobicContact CD1-CE1 3.6Å; F345-F398 HydrophobicContact CD1-CZ 4.28Å; F345-F398 AromaticContact CE1-CD1 3.66Å; F345-F398 HydrophobicContact CE1-CD1 3.66Å; F345-F398 AromaticContact CE1-CE1 3.61Å; F345-F398 HydrophobicContact CE1-CE1 3.61Å; F345-W412 HydrophobicContact CE1-CD2 4.38Å; F345-W412 HydrophobicContact CE1-CE3 4Å; F345-W412 HydrophobicContact CE1-CZ3 4.27Å; F345-W412 HydrophobicContact CZ-CB 4.19Å; F345-W412 AromaticContact CZ-CD2 3.86Å; F345-W412 HydrophobicContact CZ-CD2 3.86Å; F345-W412 AromaticContact CZ-CE3 3.88Å; F345-W412 HydrophobicContact CZ-CE3 3.88Å; F345-W412 HydrophobicContact CZ-CG 4.01Å; F345-L432 HydrophobicContact CB-CB 4.13Å; F345-L432 HydrophobicContact CB-CD2 4.19Å; F345-L432 HydrophobicContact CD2-CB 4.34Å; F345-L432 WeakPolarHBondContact CD2-O 3.29Å; F345-I434 HydrophobicContact CD1-CD1 4.21Å; F345-I434 HydrophobicContact CD2-CD1 3.95Å; F345-I434 HydrophobicContact CD2-CG1 3.96Å; F345-I434 HydrophobicContact CE1-CD1 3.87Å; F345-I434 HydrophobicContact CE2-CB 4.02Å; F345-I434 HydrophobicContact CE2-CD1 3.59Å; F345-I434 HydrophobicContact CE2-CG1 3.57Å; F345-I434 HydrophobicContact CG-CD1 4.25Å; F345-I434 HydrophobicContact CZ-CB 4.33Å; F345-I434 HydrophobicContact CZ-CD1 3.54Å; F345-I434 HydrophobicContact CZ-CG1 4Å
346	Q	92.7	Very high	78.5	Confident	37 Å²	37	54.7 Å²	54.7	17%	0.173	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	121.9	169.5	-70.1	-174.8	-42.1	0	0	109.2	E397 C415 L424 R450	Q346-E397 WeakPolarHBondContact CA-O 3.5Å; Q346-E397 HydrophobicContact CG-CB 4.18Å; Q346-E397 PolarHBondContact NE2-OE2 3.46Å; Q346-C415 HydrophobicContact CB-CB 4.38Å; Q346-L424 HydrophobicContact CG-CD2 3.66Å; Q346-R450 PolarHBondContact O-NH1 3.45Å; Q346-R450 PolarHBondContact O-NH2 3.32Å
347	G	90.4	Very high	76.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.279	C	S	.	.			trans	-179.5	159.6	172.9	0	0	0	0	0	112.5	E397 F398 A413	G347-E397 PolarHBondContact N-O 2.99Å; G347-F398 CarbonylContact O-C 3.36Å; G347-F398 WeakPolarHBondContact O-CA 3.48Å; G347-A413 WeakPolarHBondContact CA-O 3.49Å
348	E	87.5	Confident	73.5	Confident	24 Å²	24	61.7 Å²	61.7	11%	0.112	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-128.8	139.3	-177.9	-177.5	176.6	165.3	0	0	111.1	C400 P404 A413	E348-C400 HydrophobicContact CB-CB 4.41Å; E348-C400 VanDerWaalsContact CB-SG 3.57Å; E348-C400 VanDerWaalsContact OE2-CB 3.3Å; E348-C400 WeakPolarHBondContact OE2-CB 3.37Å; E348-C400 PolarHBondContact OE2-N 3.05Å; E348-P404 HydrophobicContact CB-CG 3.85Å; E348-P404 HydrophobicContact CG-CG 4.24Å; E348-P404 WeakPolarHBondContact OE2-CG 3.45Å; E348-A413 PolarHBondContact N-O 2.87Å; E348-A413 WeakPolarHBondContact O-CB 3.35Å; E348-A413 PolarHBondContact O-N 3.3Å
349	K	79.4	Confident	70.9	Confident	31 Å²	31	62.2 Å²	62.2	14%	0.135	31%	0.305	C	S	.	.			trans	-100.7	115.2	176.5	-173.4	178.7	178.3	179.6	0	109	E351 S352 D374 D376 W412	K349-E351 VanDerWaalsContact C-N 3.34Å; K349-E351 PolarHBondContact O-N 3.09Å; K349-S352 WeakPolarHBondContact O-CB 3.42Å; K349-S352 PolarHBondContact O-N 3.33Å; K349-S352 PolarHBondContact O-OG 3.04Å; K349-D374 IonicContact NZ-OD1 2.83Å; K349-D374 IonicContact NZ-OD2 3.13Å; K349-D374 PolarHBondContact NZ-OD2 3.02Å; K349-D376 IonicContact NZ-OD2 3.89Å; K349-D376 PolarHBondContact NZ-OD2 2.96Å; K349-W412 HydrophobicContact CB-CE3 4.17Å; K349-W412 HydrophobicContact CB-CH2 4.35Å; K349-W412 HydrophobicContact CB-CZ3 4.06Å
350	I	68.8	Low	68.2	Low	57 Å²	57	64.7 Å²	64.7	29%	0.292	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-19.6	-171.6	-73.1	158.9	0	0	0	113.3	S352 L353 P404 P406 A413	I350-S352 PolarHBondContact O-N 3.36Å; I350-L353 PolarHBondContact O-N 2.78Å; I350-P404 HydrophobicContact CD1-CG 4.34Å; I350-P404 VanDerWaalsContact CD1-O 3.31Å; I350-P404 WeakPolarHBondContact CD1-O 3.31Å; I350-P406 HydrophobicContact CD1-CB 3.93Å; I350-P406 HydrophobicContact CD1-CG 3.39Å; I350-A413 HydrophobicContact CD1-CB 4.33Å
351	E	60.6	Low	65.5	Low	92 Å²	92	70.3 Å²	70.3	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-61.8	-25.9	172	-74	-180	158	0	0	112.9	K349 L353 R354 S355	K349-E351 VanDerWaalsContact C-N 3.34Å; K349-E351 PolarHBondContact O-N 3.09Å; E351-L353 PolarHBondContact O-N 2.87Å; E351-R354 PolarHBondContact O-N 2.73Å; E351-R354 VanDerWaalsContact O-N 3.08Å; E351-S355 PolarHBondContact O-N 3.41Å
352	S	48.8	Very low	62.7	Low	61 Å²	61	72.5 Å²	72.5	43%	0.427	37%	0.372	S	S	.	.	H	α-helix	trans	-64.7	-19.2	177.2	69.7	0	0	0	0	114.1	K349 I350 S355 S356	K349-S352 WeakPolarHBondContact O-CB 3.42Å; K349-S352 PolarHBondContact O-N 3.33Å; K349-S352 PolarHBondContact O-OG 3.04Å; I350-S352 PolarHBondContact O-N 3.36Å; S352-S355 PolarHBondContact O-OG 3.2Å; S352-S356 WeakPolarHBondContact O-CB 3.14Å; S352-S356 PolarHBondContact O-N 3.11Å; S352-S356 PolarHBondContact O-OG 3.23Å
353	L	41.9	Very low	59.9	Low	89 Å²	89	80.3 Å²	80.3	47%	0.466	41%	0.406	S	S	.	.	H	α-helix	trans	-81.1	-25	174.4	-89	150.8	0	0	0	113	I350 E351 S356 L357	I350-L353 PolarHBondContact O-N 2.78Å; E351-L353 PolarHBondContact O-N 2.87Å; L353-S356 WeakPolarHBondContact CA-OG 3.29Å; L353-S356 PolarHBondContact O-OG 2.81Å; L353-L357 WeakPolarHBondContact O-CD1 3.5Å; L353-L357 PolarHBondContact O-N 2.81Å
354	R	40.7	Very low	57.1	Low	193 Å²	193	89.4 Å²	89.4	73%	0.728	45%	0.448	S	S	*	.	H	α-helix	trans	-77.3	-43	173.1	-84.8	-175	178.7	159.2	0.6	111	E351 S356 L357 Q358	E351-R354 PolarHBondContact O-N 2.73Å; E351-R354 VanDerWaalsContact O-N 3.08Å; R354-S356 PolarHBondContact O-N 3.4Å; R354-L357 PolarHBondContact O-N 2.98Å; R354-Q358 WeakPolarHBondContact O-CB 3.28Å; R354-Q358 PolarHBondContact O-N 2.77Å
355	S	41.8	Very low	54.4	Low	53 Å²	53	97.8 Å²	97.8	37%	0.371	49%	0.487	S	S	.	.	H	α-helix	trans	-62.3	-42.3	176.4	63.2	0	0	0	0	111.7	E351 S352 L357 Q358 E359	E351-S355 PolarHBondContact O-N 3.41Å; S352-S355 PolarHBondContact O-OG 3.2Å; S355-L357 VanDerWaalsContact C-N 3.28Å; S355-L357 PolarHBondContact O-N 2.81Å; S355-Q358 CarbonylContact O-C 3.46Å; S355-Q358 PolarHBondContact O-N 2.68Å; S355-Q358 VanDerWaalsContact O-N 3.09Å; S355-E359 VanDerWaalsContact O-CB 3.3Å; S355-E359 WeakPolarHBondContact O-CB 3.04Å; S355-E359 WeakPolarHBondContact O-CG 3.36Å; S355-E359 PolarHBondContact O-N 3.11Å
356	S	41.3	Very low	51.5	Low	66 Å²	66	106.5 Å²	106.5	46%	0.462	53%	0.528	S	S	.	.	H	α-helix	trans	-69.3	-19.7	177.4	46	0	0	0	0	114.7	S352 L353 R354	S352-S356 WeakPolarHBondContact O-CB 3.14Å; S352-S356 PolarHBondContact O-N 3.11Å; S352-S356 PolarHBondContact O-OG 3.23Å; L353-S356 WeakPolarHBondContact CA-OG 3.29Å; L353-S356 PolarHBondContact O-OG 2.81Å; R354-S356 PolarHBondContact O-N 3.4Å
357	L	41.6	Very low	48.9	Very low	133 Å²	133	113.6 Å²	113.6	70%	0.696	56%	0.563	S	S	*	*	H	α-helix	trans	-89.5	-20.4	169.7	-79.2	165.2	0	0	0	113.4	L353 R354 S355	L353-L357 WeakPolarHBondContact O-CD1 3.5Å; L353-L357 PolarHBondContact O-N 2.81Å; R354-L357 PolarHBondContact O-N 2.98Å; S355-L357 VanDerWaalsContact C-N 3.28Å; S355-L357 PolarHBondContact O-N 2.81Å
358	Q	40.2	Very low	46.5	Very low	129 Å²	129	123 Å²	123	60%	0.603	61%	0.607	S	S	*	*	H	α-helix	trans	-92.8	-30.8	177.4	-119.9	160.4	-32.3	0	0	112.9	R354 S355 A360 R361 S362	R354-Q358 WeakPolarHBondContact O-CB 3.28Å; R354-Q358 PolarHBondContact O-N 2.77Å; S355-Q358 CarbonylContact O-C 3.46Å; S355-Q358 PolarHBondContact O-N 2.68Å; S355-Q358 VanDerWaalsContact O-N 3.09Å; Q358-A360 PolarHBondContact O-N 3.19Å; Q358-R361 WeakPolarHBondContact O-CA 3.43Å; Q358-R361 PolarHBondContact O-N 3.26Å; Q358-S362 PolarHBondContact O-N 2.72Å
359	E	38.9	Very low	44	Very low	126 Å²	126	126.2 Å²	126.2	59%	0.589	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-18.5	172.5	-80.8	175.8	168	0	0	112.5	S355 R361	S355-E359 VanDerWaalsContact O-CB 3.3Å; S355-E359 WeakPolarHBondContact O-CB 3.04Å; S355-E359 WeakPolarHBondContact O-CG 3.36Å; S355-E359 PolarHBondContact O-N 3.11Å; E359-R361 PolarHBondContact O-N 3Å
360	A	37.5	Very low	41.9	Very low	86 Å²	86	132.6 Å²	132.6	71%	0.711	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-3.2	169.4	0	0	0	0	0	113.7	Q358	Q358-A360 PolarHBondContact O-N 3.19Å
361	R	39	Very low	40.4	Very low	230 Å²	230	134.7 Å²	134.7	87%	0.868	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.4	-4.3	-174.6	-77.9	-171.6	175.7	-176.8	0	116.4	Q358 E359	Q358-R361 WeakPolarHBondContact O-CA 3.43Å; Q358-R361 PolarHBondContact O-N 3.26Å; E359-R361 PolarHBondContact O-N 3Å
362	S	39.2	Very low	39.4	Very low	85 Å²	85	136.1 Å²	136.1	59%	0.594	70%	0.703	S	S	*	*			trans	-140.5	83.3	176.4	55.1	0	0	0	0	110.8	Q358	Q358-S362 PolarHBondContact O-N 2.72Å
363	F	37.8	Very low	39.3	Very low	188 Å²	188	137.2 Å²	137.2	83%	0.825	72%	0.715	S	S	*	*	S	Bend	trans	-111.6	20.1	177	-128.4	-82.7	0	0	0	113.3
364	E	38.6	Very low	40.4	Very low	191 Å²	191	136.1 Å²	136.1	89%	0.893	71%	0.71	S	S	*	*	S	Bend	trans	-136.8	-2.3	179.1	-73.9	-166.9	157.8	0	0	117
365	E	40.4	Very low	41.8	Very low	180 Å²	180	133.3 Å²	133.3	84%	0.841	70%	0.7	S	S	*	*	S	Bend	trans	-140.2	89.6	178.2	-76.6	-177.3	157.4	0	0	111.1
366	E	34.6	Very low	43.6	Very low	186 Å²	186	131.1 Å²	131.1	87%	0.869	68%	0.684	S	S	*	*			trans	-179.3	73.1	146.2	-101.1	171.4	-159.6	0	0	109.1
367	M	38.5	Very low	45.6	Very low	186 Å²	186	132.8 Å²	132.8	92%	0.916	69%	0.688	S	S	*	*			trans	-113.7	72.5	164.5	-170.7	175.9	75.8	0	0	107.4
368	E	40	Very low	47.7	Very low	196 Å²	196	133 Å²	133	92%	0.916	68%	0.68	S	S	*	*	S	Bend	trans	170.3	72.1	160.2	-100.1	174.6	-174.5	0	0	110.3
369	S	34.8	Very low	50	Low	93 Å²	93	127 Å²	127	65%	0.65	65%	0.651	S	S	*	*	S	Bend	trans	-165.9	136.9	147.7	54.5	0	0	0	0	108.2	P371	S369-P371 VanDerWaalsContact O-CD 3.26Å; S369-P371 WeakPolarHBondContact O-CD 3.21Å; S369-P371 VanDerWaalsContact O-N 3.13Å
370	D	36	Very low	52.5	Low	164 Å²	164	122.6 Å²	122.6	88%	0.877	63%	0.632	S	S	*	*			trans	-56.6	116.2	171.4	-93.4	-33.8	0	0	0	108.4
371	P	36.4	Very low	55	Low	102 Å²	102	121.4 Å²	121.4	66%	0.662	62%	0.622	S	S	*	*			trans	-68.1	136.3	174.4	27.2	-29.8	0	0	0	107.5	S369 A373	S369-P371 VanDerWaalsContact O-CD 3.26Å; S369-P371 WeakPolarHBondContact O-CD 3.21Å; S369-P371 VanDerWaalsContact O-N 3.13Å; P371-A373 PolarHBondContact O-N 3.12Å
372	P	39.6	Very low	57.5	Low	122 Å²	122	111.6 Å²	111.6	79%	0.792	59%	0.587	S	S	*	*			trans	-59.8	109.6	164.1	26.1	-29.4	0	0	0	105.6	D374	P372-D374 PolarHBondContact O-N 3.03Å
373	A	45.6	Very low	60.1	Low	83 Å²	83	107.6 Å²	107.6	69%	0.686	56%	0.559	S	S	*	*			trans	-52.7	110.6	176.3	0	0	0	0	0	107.7	P371 Y375	P371-A373 PolarHBondContact O-N 3.12Å; A373-Y375 PolarHBondContact O-N 2.97Å
374	D	65.6	Low	62.8	Low	66 Å²	66	103.6 Å²	103.6	35%	0.353	54%	0.542	S	S	.	.			trans	-61.5	109.5	177.5	-171.1	-3.7	0	0	0	106.3	K349 P372 D376 D377 R378	K349-D374 IonicContact NZ-OD1 2.83Å; K349-D374 IonicContact NZ-OD2 3.13Å; K349-D374 PolarHBondContact NZ-OD2 3.02Å; P372-D374 PolarHBondContact O-N 3.03Å; D374-D376 PolarHBondContact O-N 3.32Å; D374-D376 WeakPolarHBondContact OD1-CB 3.34Å; D374-D376 PolarHBondContact OD1-N 3.48Å; D374-D376 VanDerWaalsContact OD1-N 3.16Å; D374-D377 PolarHBondContact O-N 3.28Å; D374-R378 PolarHBondContact O-N 3.37Å
375	Y	71.5	Confident	65.4	Low	135 Å²	135	97.3 Å²	97.3	53%	0.529	52%	0.523	S	S	.	.	H	α-helix	trans	-55.1	-26.9	-179.9	-81.2	-84.6	0	0	0	110.8	A373 R378 I379 P488	A373-Y375 PolarHBondContact O-N 2.97Å; Y375-R378 PolarHBondContact O-N 3.01Å; Y375-I379 WeakPolarHBondContact O-CD1 3.04Å; Y375-I379 WeakPolarHBondContact O-CG1 3.27Å; Y375-I379 PolarHBondContact O-N 3.1Å; Y375-P488 HydrophobicContact CE1-CG 4.06Å
376	D	79	Confident	67.9	Low	6 Å²	6	90 Å²	90	3%	0.032	49%	0.49	C	S	.	.	H	α-helix	trans	-66.2	-40.9	177.6	-64.1	-23.7	0	0	0	112	K349 D374 R378 I379 I380 W412 K487	K349-D376 IonicContact NZ-OD2 3.89Å; K349-D376 PolarHBondContact NZ-OD2 2.96Å; D374-D376 PolarHBondContact O-N 3.32Å; D374-D376 WeakPolarHBondContact OD1-CB 3.34Å; D374-D376 PolarHBondContact OD1-N 3.48Å; D374-D376 VanDerWaalsContact OD1-N 3.16Å; D376-R378 VanDerWaalsContact C-N 3.32Å; D376-R378 PolarHBondContact O-N 2.78Å; D376-I379 WeakPolarHBondContact O-CB 3.17Å; D376-I379 PolarHBondContact O-N 2.99Å; D376-I379 VanDerWaalsContact O-N 3.11Å; D376-I380 VanDerWaalsContact O-CG1 3.28Å; D376-I380 WeakPolarHBondContact O-CG1 3.16Å; D376-I380 PolarHBondContact O-N 3.07Å; D376-W412 HydrophobicContact CB-CZ2 4.23Å; D376-K487 IonicContact OD1-NZ 3.83Å
377	D	82.8	Confident	70.8	Confident	102 Å²	102	83.9 Å²	83.9	55%	0.545	46%	0.461	S	S	.	.	H	α-helix	trans	-63.1	-40.4	176.7	-73.7	-27.1	0	0	0	111.6	D374 I379 I380 A381	D374-D377 PolarHBondContact O-N 3.28Å; D377-I379 VanDerWaalsContact C-N 3.33Å; D377-I379 PolarHBondContact O-N 3.1Å; D377-I380 PolarHBondContact O-N 3.38Å; D377-A381 WeakPolarHBondContact O-CB 3.24Å; D377-A381 PolarHBondContact O-N 3.19Å
378	R	85.6	Confident	73.4	Confident	138 Å²	138	80.7 Å²	80.7	52%	0.521	45%	0.448	S	S	.	.	H	α-helix	trans	-65.2	-38.3	174.4	-174.8	173.2	175.3	-172.9	-3	111.6	D374 Y375 D376 T382	D374-R378 PolarHBondContact O-N 3.37Å; Y375-R378 PolarHBondContact O-N 3.01Å; D376-R378 VanDerWaalsContact C-N 3.32Å; D376-R378 PolarHBondContact O-N 2.78Å; R378-T382 VanDerWaalsContact O-CB 3.27Å; R378-T382 WeakPolarHBondContact O-CB 3.42Å; R378-T382 PolarHBondContact O-N 2.95Å; R378-T382 PolarHBondContact O-OG1 3.18Å
379	I	88.6	Confident	75.8	Confident	2 Å²	2	74 Å²	74	1%	0.01	42%	0.423	C	S	.	.	H	α-helix	trans	-62.3	-49	174.4	-71.5	162.4	0	0	0	109.8	Y375 D376 D377 A381 T382 L383 I434 K487 V490	Y375-I379 WeakPolarHBondContact O-CD1 3.04Å; Y375-I379 WeakPolarHBondContact O-CG1 3.27Å; Y375-I379 PolarHBondContact O-N 3.1Å; D376-I379 WeakPolarHBondContact O-CB 3.17Å; D376-I379 PolarHBondContact O-N 2.99Å; D376-I379 VanDerWaalsContact O-N 3.11Å; D377-I379 VanDerWaalsContact C-N 3.33Å; D377-I379 PolarHBondContact O-N 3.1Å; I379-A381 PolarHBondContact O-N 2.82Å; I379-T382 PolarHBondContact O-N 2.86Å; I379-L383 HydrophobicContact CG2-CD1 3.57Å; I379-L383 HydrophobicContact CG2-CG 4.23Å; I379-L383 WeakPolarHBondContact O-CB 3.24Å; I379-L383 VanDerWaalsContact O-CG 3.26Å; I379-L383 WeakPolarHBondContact O-CG 3.33Å; I379-L383 PolarHBondContact O-N 2.97Å; I379-I434 HydrophobicContact CG2-CD1 3.88Å; I379-K487 HydrophobicContact CD1-CB 4.31Å; I379-K487 HydrophobicContact CD1-CD 4.24Å; I379-K487 HydrophobicContact CD1-CG 4.27Å; I379-V490 HydrophobicContact CB-CG2 4.38Å; I379-V490 HydrophobicContact CG1-CB 4.14Å; I379-V490 HydrophobicContact CG1-CG1 4.09Å; I379-V490 HydrophobicContact CG1-CG2 4.07Å; I379-V490 HydrophobicContact CG2-CG2 4.2Å
380	I	90.8	Very high	78.3	Confident	34 Å²	34	78 Å²	78	17%	0.174	43%	0.429	C	S	.	.	H	α-helix	trans	-57.9	-50.7	178.3	-64.8	166.9	0	0	0	110.5	D376 D377 T382 L383 K384 F398 W412	D376-I380 VanDerWaalsContact O-CG1 3.28Å; D376-I380 WeakPolarHBondContact O-CG1 3.16Å; D376-I380 PolarHBondContact O-N 3.07Å; D377-I380 PolarHBondContact O-N 3.38Å; I380-T382 PolarHBondContact O-N 3.11Å; I380-L383 PolarHBondContact O-N 3.15Å; I380-K384 HydrophobicContact CG2-CD 3.96Å; I380-K384 HydrophobicContact CG2-CG 4.43Å; I380-K384 WeakPolarHBondContact O-CB 3.07Å; I380-K384 WeakPolarHBondContact O-CG 3.4Å; I380-K384 PolarHBondContact O-N 2.97Å; I380-F398 HydrophobicContact CB-CE2 4.45Å; I380-F398 HydrophobicContact CB-CZ 4.41Å; I380-F398 HydrophobicContact CG1-CD1 3.84Å; I380-F398 HydrophobicContact CG1-CD2 4.5Å; I380-F398 HydrophobicContact CG1-CE1 3.89Å; I380-F398 HydrophobicContact CG1-CG 4.15Å; I380-F398 HydrophobicContact CG1-CZ 4.24Å; I380-F398 HydrophobicContact CG2-CD2 3.9Å; I380-F398 HydrophobicContact CG2-CE2 4.01Å; I380-F398 HydrophobicContact CG2-CG 4.24Å; I380-F398 HydrophobicContact CG2-CZ 4.46Å; I380-W412 HydrophobicContact CD1-CH2 3.87Å; I380-W412 HydrophobicContact CG1-CH2 3.98Å
381	A	90.5	Very high	80.7	Confident	61 Å²	61	76 Å²	76	50%	0.504	42%	0.417	S	S	.	.	H	α-helix	trans	-60.3	-44.3	-179.7	0	0	0	0	0	111.9	D377 I379 A385	D377-A381 WeakPolarHBondContact O-CB 3.24Å; D377-A381 PolarHBondContact O-N 3.19Å; I379-A381 PolarHBondContact O-N 2.82Å; A381-A385 WeakPolarHBondContact O-CB 3.26Å; A381-A385 PolarHBondContact O-N 3.48Å
382	T	92.8	Very high	83.3	Confident	23 Å²	23	73.5 Å²	73.5	14%	0.141	40%	0.398	C	S	.	.	H	α-helix	trans	-64.4	-47.9	179.4	-57.6	0	0	0	0	111.4	R378 I379 I380 A385 V386 V490 T491	R378-T382 VanDerWaalsContact O-CB 3.27Å; R378-T382 WeakPolarHBondContact O-CB 3.42Å; R378-T382 PolarHBondContact O-N 2.95Å; R378-T382 PolarHBondContact O-OG1 3.18Å; I379-T382 PolarHBondContact O-N 2.86Å; I380-T382 PolarHBondContact O-N 3.11Å; T382-A385 PolarHBondContact O-N 3.43Å; T382-V386 WeakPolarHBondContact O-CG2 3.48Å; T382-V386 PolarHBondContact O-N 2.95Å; T382-V490 HydrophobicContact CG2-CG1 4.33Å; T382-V490 HydrophobicContact CG2-CG2 4.26Å; T382-T491 HydrophobicContact CG2-CG2 3.86Å
383	L	93.8	Very high	86	Confident	2 Å²	2	73 Å²	73	1%	0.01	39%	0.385	C	S	.	.	H	α-helix	trans	-69.5	-36.8	-177.1	-66.4	176.2	0	0	0	112.1	F343 I379 I380 V386 Q387 V396 F398 L432 I434 V490	F343-L383 HydrophobicContact CE2-CD2 3.94Å; F343-L383 HydrophobicContact CZ-CD2 3.96Å; I379-L383 HydrophobicContact CG2-CD1 3.57Å; I379-L383 HydrophobicContact CG2-CG 4.23Å; I379-L383 WeakPolarHBondContact O-CB 3.24Å; I379-L383 VanDerWaalsContact O-CG 3.26Å; I379-L383 WeakPolarHBondContact O-CG 3.33Å; I379-L383 PolarHBondContact O-N 2.97Å; I380-L383 PolarHBondContact O-N 3.15Å; L383-V386 PolarHBondContact O-N 2.96Å; L383-Q387 PolarHBondContact O-N 3.49Å; L383-V396 HydrophobicContact CB-CG1 4.25Å; L383-V396 HydrophobicContact CB-CG2 4.1Å; L383-F398 HydrophobicContact CB-CZ 4.03Å; L383-F398 HydrophobicContact CD1-CE1 4.43Å; L383-F398 HydrophobicContact CD1-CZ 3.92Å; L383-L432 HydrophobicContact CD1-CD2 3.56Å; L383-L432 HydrophobicContact CD2-CD2 4.11Å; L383-I434 HydrophobicContact CD1-CD1 4.37Å; L383-V490 HydrophobicContact CD2-CG2 4.22Å; L383-V490 HydrophobicContact CG-CG2 4.28Å
384	K	93.6	Very high	88.4	Confident	103 Å²	103	69.6 Å²	69.6	45%	0.448	36%	0.356	S	S	.	.	H	α-helix	trans	-62.9	-44.6	171.2	-75.3	-177.7	178	176.9	0	111.5	I380 V386 Q387 D388 F398	I380-K384 HydrophobicContact CG2-CD 3.96Å; I380-K384 HydrophobicContact CG2-CG 4.43Å; I380-K384 WeakPolarHBondContact O-CB 3.07Å; I380-K384 WeakPolarHBondContact O-CG 3.4Å; I380-K384 PolarHBondContact O-N 2.97Å; K384-V386 VanDerWaalsContact C-N 3.28Å; K384-V386 PolarHBondContact O-N 3.26Å; K384-Q387 PolarHBondContact O-N 3.48Å; K384-Q387 VanDerWaalsContact O-N 3.11Å; K384-D388 WeakPolarHBondContact O-CB 3.48Å; K384-D388 VanDerWaalsContact O-CG 3.3Å; K384-D388 PolarHBondContact O-N 2.86Å; K384-F398 HydrophobicContact CG-CD2 4.4Å; K384-F398 HydrophobicContact CG-CE2 4.03Å
385	A	93.3	Very high	89.8	Confident	60 Å²	60	67.8 Å²	67.8	50%	0.496	35%	0.346	S	S	.	.	H	α-helix	trans	-59.8	-38.1	176	0	0	0	0	0	112.5	A381 T382 D388 S389	A381-A385 WeakPolarHBondContact O-CB 3.26Å; A381-A385 PolarHBondContact O-N 3.48Å; T382-A385 PolarHBondContact O-N 3.43Å; A385-D388 PolarHBondContact O-N 2.69Å; A385-S389 PolarHBondContact O-N 2.72Å
386	V	93.5	Very high	90.9	Very high	25 Å²	25	61.8 Å²	61.8	15%	0.152	32%	0.324	C	S	.	.	H	α-helix	trans	-64.2	-45.4	173.6	172.5	0	0	0	0	111.2	F343 T382 L383 K384 D388 S389 V394 H494	F343-V386 HydrophobicContact CE1-CG1 4.25Å; F343-V386 HydrophobicContact CZ-CG1 4.1Å; T382-V386 WeakPolarHBondContact O-CG2 3.48Å; T382-V386 PolarHBondContact O-N 2.95Å; L383-V386 PolarHBondContact O-N 2.96Å; K384-V386 VanDerWaalsContact C-N 3.28Å; K384-V386 PolarHBondContact O-N 3.26Å; V386-D388 PolarHBondContact O-N 2.88Å; V386-S389 WeakPolarHBondContact O-CB 3.35Å; V386-S389 PolarHBondContact O-N 2.96Å; V386-S389 PolarHBondContact O-OG 2.63Å; V386-V394 HydrophobicContact CG1-CG2 4.17Å; V386-H494 HydrophobicContact CG1-CB 4.08Å; V386-H494 HydrophobicContact CG2-CB 4.11Å
387	Q	93.8	Very high	91.5	Very high	58 Å²	58	64.6 Å²	64.6	27%	0.271	34%	0.336	S	S	.	.	H	α-helix	trans	-61.5	-41.8	176	178.5	170.5	-12.2	0	0	112.2	L383 K384 S389 K390 V394 V396	L383-Q387 PolarHBondContact O-N 3.49Å; K384-Q387 PolarHBondContact O-N 3.48Å; K384-Q387 VanDerWaalsContact O-N 3.11Å; Q387-S389 VanDerWaalsContact C-N 3.31Å; Q387-S389 PolarHBondContact O-N 3.1Å; Q387-K390 PolarHBondContact O-N 3.07Å; Q387-V394 HydrophobicContact CB-CG1 4.4Å; Q387-V394 WeakPolarHBondContact CG-O 3.33Å; Q387-V396 HydrophobicContact CB-CG2 4.35Å; Q387-V396 PolarHBondContact OE1-O 3.5Å
388	D	93.6	Very high	91.9	Very high	120 Å²	120	60.7 Å²	60.7	64%	0.642	31%	0.314	S	S	*	.	H	α-helix	trans	-70.9	-25.6	-179.7	-69.7	-25.2	0	0	0	113.2	K384 A385 V386 K390	K384-D388 WeakPolarHBondContact O-CB 3.48Å; K384-D388 VanDerWaalsContact O-CG 3.3Å; K384-D388 PolarHBondContact O-N 2.86Å; A385-D388 PolarHBondContact O-N 2.69Å; V386-D388 PolarHBondContact O-N 2.88Å; D388-K390 PolarHBondContact O-N 3.13Å
389	S	91.4	Very high	92	Very high	54 Å²	54	59.1 Å²	59.1	38%	0.378	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-24	176.2	79.6	0	0	0	0	113.3	A385 V386 Q387 L391	A385-S389 PolarHBondContact O-N 2.72Å; V386-S389 WeakPolarHBondContact O-CB 3.35Å; V386-S389 PolarHBondContact O-N 2.96Å; V386-S389 PolarHBondContact O-OG 2.63Å; Q387-S389 VanDerWaalsContact C-N 3.31Å; Q387-S389 PolarHBondContact O-N 3.1Å; S389-L391 PolarHBondContact O-N 3.17Å; S389-L391 PolarHBondContact OG-N 3.21Å
390	K	86.4	Confident	91.9	Very high	179 Å²	179	60 Å²	60	78%	0.778	33%	0.326	S	S	*	.			trans	53.3	17.6	-177.4	-61.5	177	-175.6	178.6	0	114.9	Q387 D388 D392	Q387-K390 PolarHBondContact O-N 3.07Å; D388-K390 PolarHBondContact O-N 3.13Å; K390-D392 VanDerWaalsContact C-N 3.34Å
391	L	87.1	Confident	91.5	Very high	122 Å²	122	68 Å²	68	64%	0.639	36%	0.36	S	S	*	.	S	Bend	trans	-65.9	-38.2	176.5	-70.4	174.6	0	0	0	111.9	S389	S389-L391 PolarHBondContact O-N 3.17Å; S389-L391 PolarHBondContact OG-N 3.21Å
392	D	91.6	Very high	90.9	Very high	48 Å²	48	70.1 Å²	70.1	26%	0.257	36%	0.363	S	S	.	.	S	Bend	trans	-133	160.2	170.9	-62.2	-68.1	0	0	0	109.4	L342 K390 V394 H494 R498	L342-D392 HydrophobicContact CB-CB 4.18Å; L342-D392 HydrophobicContact CD2-CB 4.13Å; K390-D392 VanDerWaalsContact C-N 3.34Å; D392-V394 HydrophobicContact CB-CG2 4.5Å; D392-V394 PolarHBondContact O-N 3.26Å; D392-V394 VanDerWaalsContact O-N 3.16Å; D392-H494 IonicContact OD2-CD2 3.33Å; D392-H494 IonicContact OD2-CE1 2.87Å; D392-H494 PolarHBondContact OD2-CE1 3.29Å; D392-H494 IonicContact OD2-NE2 3.09Å; D392-H494 PolarHBondContact OD2-NE2 2.65Å; D392-R498 IonicContact OD1-NH1 2.81Å; D392-R498 PolarHBondContact OD1-NH1 2.99Å; D392-R498 VanDerWaalsContact OD1-NH1 3.08Å; D392-R498 WeakPolarHBondContact OD2-CD 3.2Å; D392-R498 IonicContact OD2-CZ 3.35Å; D392-R498 IonicContact OD2-NE 3.73Å; D392-R498 IonicContact OD2-NH1 2.78Å; D392-R498 PolarHBondContact OD2-NH1 2.98Å
393	Q	94.7	Very high	90	Very high	112 Å²	112	78.3 Å²	78.3	52%	0.523	40%	0.4	S	S	.	.			trans	-75	105.9	170.9	-63.9	-174.7	28	0	0	109.1	K340 Y341 L342	K340-Q393 VanDerWaalsContact CG-OE1 3.25Å; K340-Q393 WeakPolarHBondContact O-CB 3.4Å; Y341-Q393 CarbonylContact C-O 3.12Å; Y341-Q393 VanDerWaalsContact CA-O 3.23Å; Y341-Q393 WeakPolarHBondContact CA-O 3.41Å; Y341-Q393 HydrophobicContact CD1-CB 4.01Å; Y341-Q393 HydrophobicContact CE1-CB 4.46Å; L342-Q393 PolarHBondContact N-O 3.24Å
394	V	96.1	Very high	89.2	Confident	11 Å²	11	79.2 Å²	79.2	7%	0.067	41%	0.406	C	S	.	.			trans	-119.6	141.3	174.8	171.2	0	0	0	0	108.1	L342 F343 V386 Q387 D392 V396	L342-V394 HydrophobicContact CB-CG2 4.3Å; F343-V394 HydrophobicContact CD1-CG1 4.45Å; F343-V394 HydrophobicContact CD1-CG2 4.02Å; F343-V394 HydrophobicContact CD2-CG1 3.9Å; F343-V394 HydrophobicContact CE1-CG1 3.99Å; F343-V394 HydrophobicContact CE1-CG2 3.67Å; F343-V394 HydrophobicContact CE2-CG1 3.36Å; F343-V394 HydrophobicContact CG-CG1 4.41Å; F343-V394 HydrophobicContact CZ-CB 4.36Å; F343-V394 HydrophobicContact CZ-CG1 3.41Å; F343-V394 VanDerWaalsContact CZ-CG1 3.41Å; F343-V394 HydrophobicContact CZ-CG2 3.97Å; V386-V394 HydrophobicContact CG1-CG2 4.17Å; Q387-V394 HydrophobicContact CB-CG1 4.4Å; Q387-V394 WeakPolarHBondContact CG-O 3.33Å; D392-V394 HydrophobicContact CB-CG2 4.5Å; D392-V394 PolarHBondContact O-N 3.26Å; D392-V394 VanDerWaalsContact O-N 3.16Å; V394-V396 HydrophobicContact CG1-CG1 4.06Å
395	L	95.5	Very high	88.1	Confident	29 Å²	29	81.9 Å²	81.9	15%	0.152	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	110.8	173.9	-177	72.7	0	0	0	109.8	Y341 F343 T344 F345 E397 L424	Y341-L395 HydrophobicContact CD1-CB 4.05Å; Y341-L395 HydrophobicContact CE1-CB 4.02Å; F343-L395 PolarHBondContact O-N 2.9Å; T344-L395 CarbonylContact C-O 3.6Å; T344-L395 WeakPolarHBondContact CA-O 3.06Å; T344-L395 HydrophobicContact CG2-CB 3.98Å; F345-L395 PolarHBondContact N-O 3.23Å; L395-E397 HydrophobicContact CD1-CG 4.4Å; L395-E397 HydrophobicContact CG-CG 4.49Å; L395-L424 HydrophobicContact CD2-CD1 3.46Å; L395-L424 VanDerWaalsContact CD2-CD1 3.46Å; L395-L424 HydrophobicContact CD2-CD2 3.85Å; L395-L424 HydrophobicContact CD2-CG 4.31Å
396	V	94.6	Very high	87	Confident	9 Å²	9	81.4 Å²	81.4	6%	0.055	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.3	171	-62	0	0	0	0	110.7	F343 F345 L383 Q387 V394 F398	F343-V396 HydrophobicContact CD2-CG1 4.4Å; F343-V396 HydrophobicContact CE2-CG1 3.82Å; F345-V396 HydrophobicContact CB-CB 4.36Å; F345-V396 HydrophobicContact CB-CG1 3.93Å; F345-V396 CarbonylContact O-C 3.59Å; F345-V396 WeakPolarHBondContact O-CA 3.2Å; L383-V396 HydrophobicContact CB-CG1 4.25Å; L383-V396 HydrophobicContact CB-CG2 4.1Å; Q387-V396 HydrophobicContact CB-CG2 4.35Å; Q387-V396 PolarHBondContact OE1-O 3.5Å; V394-V396 HydrophobicContact CG1-CG1 4.06Å; V396-F398 HydrophobicContact CB-CE2 3.86Å; V396-F398 HydrophobicContact CB-CZ 4Å; V396-F398 HydrophobicContact CG2-CE2 3.65Å; V396-F398 HydrophobicContact CG2-CZ 4.12Å
397	E	92.4	Very high	85.8	Confident	65 Å²	65	80.9 Å²	80.9	30%	0.304	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	121.6	176.7	-61.1	-179	163.7	0	0	109.4	F345 Q346 G347 L395	F345-E397 PolarHBondContact O-N 3.25Å; Q346-E397 WeakPolarHBondContact CA-O 3.5Å; Q346-E397 HydrophobicContact CG-CB 4.18Å; Q346-E397 PolarHBondContact NE2-OE2 3.46Å; G347-E397 PolarHBondContact N-O 2.99Å; L395-E397 HydrophobicContact CD1-CG 4.4Å; L395-E397 HydrophobicContact CG-CG 4.49Å
398	F	90.9	Very high	84.8	Confident	19 Å²	19	79.1 Å²	79.1	8%	0.083	40%	0.399	C	S	.	.			trans	-104.7	1.8	-177.6	-60.7	-76.5	0	0	0	113.4	F345 G347 I380 L383 K384 V396 W412 I434	F345-F398 AromaticContact CD1-CD1 3.94Å; F345-F398 HydrophobicContact CD1-CD1 3.94Å; F345-F398 AromaticContact CD1-CE1 3.6Å; F345-F398 HydrophobicContact CD1-CE1 3.6Å; F345-F398 HydrophobicContact CD1-CZ 4.28Å; F345-F398 AromaticContact CE1-CD1 3.66Å; F345-F398 HydrophobicContact CE1-CD1 3.66Å; F345-F398 AromaticContact CE1-CE1 3.61Å; F345-F398 HydrophobicContact CE1-CE1 3.61Å; G347-F398 CarbonylContact O-C 3.36Å; G347-F398 WeakPolarHBondContact O-CA 3.48Å; I380-F398 HydrophobicContact CB-CE2 4.45Å; I380-F398 HydrophobicContact CB-CZ 4.41Å; I380-F398 HydrophobicContact CG1-CD1 3.84Å; I380-F398 HydrophobicContact CG1-CD2 4.5Å; I380-F398 HydrophobicContact CG1-CE1 3.89Å; I380-F398 HydrophobicContact CG1-CG 4.15Å; I380-F398 HydrophobicContact CG1-CZ 4.24Å; I380-F398 HydrophobicContact CG2-CD2 3.9Å; I380-F398 HydrophobicContact CG2-CE2 4.01Å; I380-F398 HydrophobicContact CG2-CG 4.24Å; I380-F398 HydrophobicContact CG2-CZ 4.46Å; L383-F398 HydrophobicContact CB-CZ 4.03Å; L383-F398 HydrophobicContact CD1-CE1 4.43Å; L383-F398 HydrophobicContact CD1-CZ 3.92Å; K384-F398 HydrophobicContact CG-CD2 4.4Å; K384-F398 HydrophobicContact CG-CE2 4.03Å; V396-F398 HydrophobicContact CB-CE2 3.86Å; V396-F398 HydrophobicContact CB-CZ 4Å; V396-F398 HydrophobicContact CG2-CE2 3.65Å; V396-F398 HydrophobicContact CG2-CZ 4.12Å; F398-W412 HydrophobicContact CB-CZ3 4.43Å; F398-W412 AromaticContact CD1-CH2 3.73Å; F398-W412 HydrophobicContact CD1-CH2 3.73Å; F398-W412 AromaticContact CD1-CZ3 3.66Å; F398-W412 HydrophobicContact CD1-CZ3 3.66Å; F398-W412 HydrophobicContact CE1-CH2 4.29Å; F398-W412 HydrophobicContact CE1-CZ3 4.49Å; F398-I434 HydrophobicContact CE1-CD1 4.45Å
399	T	87.4	Confident	83.8	Confident	106 Å²	106	77.7 Å²	77.7	65%	0.65	40%	0.396	S	S	*	.	S	Bend	trans	-135.4	121.4	-178.3	51.8	0	0	0	0	108.1
400	C	86.1	Confident	83.1	Confident	19 Å²	19	76.9 Å²	76.9	13%	0.128	39%	0.389	C	S	.	.			trans	-82	151.1	179.8	-57	0	0	0	0	110.4	E348 N402 P404 C415	E348-C400 HydrophobicContact CB-CB 4.41Å; E348-C400 VanDerWaalsContact CB-SG 3.57Å; E348-C400 VanDerWaalsContact OE2-CB 3.3Å; E348-C400 WeakPolarHBondContact OE2-CB 3.37Å; E348-C400 PolarHBondContact OE2-N 3.05Å; C400-N402 VanDerWaalsContact C-N 3.29Å; C400-N402 WeakPolarHBondContact CB-O 3.48Å; C400-N402 PolarHBondContact O-N 2.99Å; C400-P404 HydrophobicContact CB-CB 4.45Å; C400-P404 HydrophobicContact CB-CG 4.14Å; C400-C415 VanDerWaalsContact CA-SG 3.58Å; C400-C415 HydrophobicContact CB-CB 3.77Å; C400-C415 WeakPolarHBondContact CB-SG 3.22Å; C400-C415 WeakPolarHBondContact SG-CA 3.35Å; C400-C415 WeakPolarHBondContact SG-CB 3.4Å; C400-C415 CovalentContact SG-SG 2.04Å; C400-C415 PolarHBondContact SG-SG 2.75Å
401	K	81.9	Confident	82.8	Confident	203 Å²	203	68.6 Å²	68.6	88%	0.883	35%	0.353	S	S	*	.	S	Bend	trans	-69.1	-29.2	174.9	-67.7	177.9	-177.9	171.2	0	112.9
402	N	79.3	Confident	82.7	Confident	106 Å²	106	63.1 Å²	63.1	57%	0.567	32%	0.324	S	S	*	.	S	Bend	trans	-110.4	155.5	178.6	-61.9	-14.7	0	0	0	109.1	C400 P404	C400-N402 VanDerWaalsContact C-N 3.29Å; C400-N402 WeakPolarHBondContact CB-O 3.48Å; C400-N402 PolarHBondContact O-N 2.99Å; N402-P404 WeakPolarHBondContact O-CD 3.29Å; N402-P404 VanDerWaalsContact O-N 3.13Å
403	Q	73.9	Confident	82.5	Confident	195 Å²	195	61 Å²	61	91%	0.911	31%	0.313	S	S	*	.			trans	-65.2	109.1	173.7	-72.5	-175.4	-3.5	0	0	110.3
404	P	75.2	Confident	82.3	Confident	21 Å²	21	56.5 Å²	56.5	14%	0.136	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-81.2	151.7	-176.3	32.7	-27.6	0	0	0	110.1	E348 I350 C400 N402 A413	E348-P404 HydrophobicContact CB-CG 3.85Å; E348-P404 HydrophobicContact CG-CG 4.24Å; E348-P404 WeakPolarHBondContact OE2-CG 3.45Å; I350-P404 HydrophobicContact CD1-CG 4.34Å; I350-P404 VanDerWaalsContact CD1-O 3.31Å; I350-P404 WeakPolarHBondContact CD1-O 3.31Å; C400-P404 HydrophobicContact CB-CB 4.45Å; C400-P404 HydrophobicContact CB-CG 4.14Å; N402-P404 WeakPolarHBondContact O-CD 3.29Å; N402-P404 VanDerWaalsContact O-N 3.13Å; P404-A413 HydrophobicContact CB-CB 3.67Å; P404-A413 HydrophobicContact CG-CB 3.97Å
405	K	71.6	Confident	81.9	Confident	159 Å²	159	56.4 Å²	56.4	69%	0.691	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-102.3	118	174.8	-68.9	-178.6	-177	175.5	0	109.2
406	P	69.4	Low	81.5	Confident	49 Å²	49	56.6 Å²	56.6	32%	0.318	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-83.8	139.5	177.7	34.8	-29.7	0	0	0	109.5	I350 L408 A413	I350-P406 HydrophobicContact CD1-CB 3.93Å; I350-P406 HydrophobicContact CD1-CG 3.39Å; P406-L408 VanDerWaalsContact C-N 3.32Å; P406-A413 HydrophobicContact CB-CB 4.2Å
407	S	68.1	Low	81.2	Confident	14 Å²	14	62.3 Å²	62.3	10%	0.098	33%	0.327	C	S	.	.	S	Bend	trans	-63.7	-40.6	165.2	21.8	0	0	0	0	111.6	S282 E411	S282-S407 VanDerWaalsContact O-CB 3.22Å; S282-S407 WeakPolarHBondContact O-CB 3.23Å; S282-S407 PolarHBondContact O-OG 2.8Å; S407-E411 PolarHBondContact OG-OE2 3.26Å
408	L	74.4	Confident	81	Confident	21 Å²	21	61.8 Å²	61.8	11%	0.11	32%	0.322	C	S	.	.	S	Bend	trans	-137	146.8	-175.1	-66.2	172.8	0	0	0	110.9	Y304 P406 T410 E411 L441	Y304-L408 VanDerWaalsContact OH-CD2 3.27Å; Y304-L408 WeakPolarHBondContact OH-CD2 3.45Å; P406-L408 VanDerWaalsContact C-N 3.32Å; L408-T410 VanDerWaalsContact C-N 3.28Å; L408-T410 PolarHBondContact O-N 3.34Å; L408-E411 HydrophobicContact CB-CB 4.04Å; L408-E411 WeakPolarHBondContact O-CB 3.45Å; L408-E411 PolarHBondContact O-N 3.2Å; L408-E411 VanDerWaalsContact O-N 3.17Å; L408-L441 HydrophobicContact CD1-CD1 3.63Å; L408-L441 HydrophobicContact CD1-CD2 3.8Å; L408-L441 HydrophobicContact CD1-CG 4.38Å
409	P	72	Confident	80.9	Confident	90 Å²	90	66.2 Å²	66.2	58%	0.584	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-37.4	-177.2	-27.1	34.9	0	0	0	114.9	E411	P409-E411 VanDerWaalsContact C-N 3.34Å; P409-E411 PolarHBondContact O-N 3.4Å
410	T	76.7	Confident	81.1	Confident	37 Å²	37	65.6 Å²	65.6	23%	0.227	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	11.5	-175.9	60.8	0	0	0	0	113.7	L408 P436 G437 D438	L408-T410 VanDerWaalsContact C-N 3.28Å; L408-T410 PolarHBondContact O-N 3.34Å; T410-P436 WeakPolarHBondContact O-CA 3.48Å; T410-P436 WeakPolarHBondContact O-CB 3.48Å; T410-G437 PolarHBondContact O-N 2.94Å; T410-D438 HydrophobicContact CG2-CB 4.3Å
411	E	80	Confident	81.3	Confident	5 Å²	5	65.9 Å²	65.9	2%	0.023	33%	0.334	C	S	.	.	S	Bend	trans	-104.5	147.7	-174.4	-178.9	165.2	-160.9	0	0	112.1	S407 L408 P409 A413 P436 S444 G446 C447	S407-E411 PolarHBondContact OG-OE2 3.26Å; L408-E411 HydrophobicContact CB-CB 4.04Å; L408-E411 WeakPolarHBondContact O-CB 3.45Å; L408-E411 PolarHBondContact O-N 3.2Å; L408-E411 VanDerWaalsContact O-N 3.17Å; P409-E411 VanDerWaalsContact C-N 3.34Å; P409-E411 PolarHBondContact O-N 3.4Å; E411-A413 PolarHBondContact O-N 2.04Å; E411-P436 HydrophobicContact CB-CB 4.46Å; E411-P436 HydrophobicContact CB-CG 4.07Å; E411-P436 HydrophobicContact CG-CG 4.03Å; E411-S444 WeakPolarHBondContact OE1-CB 3.25Å; E411-S444 PolarHBondContact OE1-OG 2.66Å; E411-S444 VanDerWaalsContact OE2-CB 3.24Å; E411-S444 WeakPolarHBondContact OE2-CB 3.49Å; E411-S444 PolarHBondContact OE2-OG 3.43Å; E411-G446 WeakPolarHBondContact OE1-CA 3.38Å; E411-G446 PolarHBondContact OE1-N 2.79Å; E411-C447 PolarHBondContact OE1-N 2.84Å; E411-C447 VanDerWaalsContact OE1-N 3.14Å
412	W	85.8	Confident	81.9	Confident	7 Å²	7	57 Å²	57	3%	0.027	30%	0.296	C	S	.	.			trans	-76	104.8	172.6	-69.7	92	0	0	0	110.3	F345 K349 D376 I380 F398 R450	F345-W412 HydrophobicContact CE1-CD2 4.38Å; F345-W412 HydrophobicContact CE1-CE3 4Å; F345-W412 HydrophobicContact CE1-CZ3 4.27Å; F345-W412 HydrophobicContact CZ-CB 4.19Å; F345-W412 AromaticContact CZ-CD2 3.86Å; F345-W412 HydrophobicContact CZ-CD2 3.86Å; F345-W412 AromaticContact CZ-CE3 3.88Å; F345-W412 HydrophobicContact CZ-CE3 3.88Å; F345-W412 HydrophobicContact CZ-CG 4.01Å; K349-W412 HydrophobicContact CB-CE3 4.17Å; K349-W412 HydrophobicContact CB-CH2 4.35Å; K349-W412 HydrophobicContact CB-CZ3 4.06Å; D376-W412 HydrophobicContact CB-CZ2 4.23Å; I380-W412 HydrophobicContact CD1-CH2 3.87Å; I380-W412 HydrophobicContact CG1-CH2 3.98Å; F398-W412 HydrophobicContact CB-CZ3 4.43Å; F398-W412 AromaticContact CD1-CH2 3.73Å; F398-W412 HydrophobicContact CD1-CH2 3.73Å; F398-W412 AromaticContact CD1-CZ3 3.66Å; F398-W412 HydrophobicContact CD1-CZ3 3.66Å; F398-W412 HydrophobicContact CE1-CH2 4.29Å; F398-W412 HydrophobicContact CE1-CZ3 4.49Å; W412-R450 PolarHBondContact O-NH2 2.93Å
413	A	87.3	Confident	82.6	Confident	3 Å²	3	58.2 Å²	58.2	3%	0.025	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-61.8	147.6	-178.9	0	0	0	0	0	111.2	G347 E348 I350 P404 P406 E411 R450	G347-A413 WeakPolarHBondContact CA-O 3.49Å; E348-A413 PolarHBondContact N-O 2.87Å; E348-A413 WeakPolarHBondContact O-CB 3.35Å; E348-A413 PolarHBondContact O-N 3.3Å; I350-A413 HydrophobicContact CD1-CB 4.33Å; P404-A413 HydrophobicContact CB-CB 3.67Å; P404-A413 HydrophobicContact CG-CB 3.97Å; P406-A413 HydrophobicContact CB-CB 4.2Å; E411-A413 PolarHBondContact O-N 2.04Å; A413-R450 PolarHBondContact O-NH2 2.88Å
414	L	88.8	Confident	83.6	Confident	18 Å²	18	50 Å²	50	9%	0.094	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-76.7	133.9	177.7	-70.7	133.1	0	0	0	109.9	S282 T449 R450	S282-L414 WeakPolarHBondContact OG-CD1 3.42Å; L414-T449 HydrophobicContact CD1-CG2 4.45Å; L414-R450 HydrophobicContact CD2-CG 3.77Å
415	C	88.7	Confident	84.6	Confident	9 Å²	9	50 Å²	50	6%	0.061	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-85.1	141.4	174.6	-61.1	0	0	0	0	111.2	Q346 C400 R421	Q346-C415 HydrophobicContact CB-CB 4.38Å; C400-C415 VanDerWaalsContact CA-SG 3.58Å; C400-C415 HydrophobicContact CB-CB 3.77Å; C400-C415 WeakPolarHBondContact CB-SG 3.22Å; C400-C415 WeakPolarHBondContact SG-CA 3.35Å; C400-C415 WeakPolarHBondContact SG-CB 3.4Å; C400-C415 CovalentContact SG-SG 2.04Å; C400-C415 PolarHBondContact SG-SG 2.75Å; C415-R421 WeakPolarHBondContact O-CD 3.38Å; C415-R421 WeakPolarHBondContact O-CG 3.42Å; C415-R421 PolarHBondContact O-NH1 3.2Å
416	G	86.4	Confident	85.7	Confident	33 Å²	33	46.3 Å²	46.3	34%	0.34	24%	0.243	S	C	.	.	S	Bend	trans	64.7	-169.9	168.9	0	0	0	0	0	115	R421	G416-R421 PolarHBondContact O-NH1 3.17Å
417	E	88.1	Confident	87	Confident	129 Å²	129	47.8 Å²	47.8	60%	0.603	25%	0.248	S	C	*	.			trans	-81	167.3	173.5	-64.6	-56.3	141.3	0	0	110.9	E419 D420 R421	E417-E419 VanDerWaalsContact C-N 3.33Å; E417-E419 PolarHBondContact O-N 3.15Å; E417-D420 PolarHBondContact N-OD2 3.13Å; E417-D420 PolarHBondContact O-N 3.02Å; E417-R421 VanDerWaalsContact C-NH1 3.32Å; E417-R421 PolarHBondContact O-N 3.26Å; E417-R421 PolarHBondContact O-NH1 2.85Å
418	R	88.5	Confident	88.3	Confident	55 Å²	55	47.1 Å²	47.1	21%	0.208	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-43.6	-178	177.4	175.2	172.5	-100.1	-0.9	111.7	H321 D420 R421 L422 E456	H321-R418 PolarHBondContact CE1-NH2 2.89Å; H321-R418 PolarHBondContact NE2-NH2 3.15Å; R418-D420 VanDerWaalsContact C-N 3.32Å; R418-D420 PolarHBondContact O-N 2.86Å; R418-R421 WeakPolarHBondContact O-CB 3.39Å; R418-R421 PolarHBondContact O-N 2.72Å; R418-R421 VanDerWaalsContact O-N 3.13Å; R418-L422 HydrophobicContact CG-CD1 4.09Å; R418-L422 HydrophobicContact CG-CG 4.16Å; R418-L422 WeakPolarHBondContact O-CG 3.46Å; R418-L422 PolarHBondContact O-N 3.02Å; R418-E456 IonicContact CZ-OE2 3.6Å; R418-E456 IonicContact NH2-OE1 2.6Å; R418-E456 PolarHBondContact NH2-OE1 3.21Å; R418-E456 IonicContact NH2-OE2 2.8Å; R418-E456 PolarHBondContact NH2-OE2 2.87Å
419	E	89.4	Confident	89.4	Confident	112 Å²	112	46.2 Å²	46.2	52%	0.523	24%	0.239	S	C	.	.	H	α-helix	trans	-58.3	-45.2	-176.6	-68.2	66.2	-145.2	0	0	111	E417 R421 L422 E423	E417-E419 VanDerWaalsContact C-N 3.33Å; E417-E419 PolarHBondContact O-N 3.15Å; E419-R421 VanDerWaalsContact C-N 3.33Å; E419-R421 PolarHBondContact O-N 2.99Å; E419-L422 PolarHBondContact O-N 2.9Å; E419-E423 WeakPolarHBondContact O-CG 3.01Å; E419-E423 PolarHBondContact O-N 2.76Å
420	D	90.8	Very high	90.7	Very high	92 Å²	92	42 Å²	42	49%	0.492	21%	0.211	S	C	.	.	H	α-helix	trans	-59.6	-43	177.2	-60.1	-38.7	0	0	0	111.8	E417 R418 E423 L424	E417-D420 PolarHBondContact N-OD2 3.13Å; E417-D420 PolarHBondContact O-N 3.02Å; R418-D420 VanDerWaalsContact C-N 3.32Å; R418-D420 PolarHBondContact O-N 2.86Å; D420-E423 PolarHBondContact O-N 3.28Å; D420-L424 PolarHBondContact O-N 2.94Å
421	R	92.3	Very high	91.7	Very high	26 Å²	26	40.4 Å²	40.4	10%	0.098	20%	0.202	C	C	.	.	H	α-helix	trans	-65.4	-43.3	178.1	-65.1	-167.3	-59.2	-83.6	3.4	111.4	C415 G416 E417 R418 E419 E423 L424 L425 E453	C415-R421 WeakPolarHBondContact O-CD 3.38Å; C415-R421 WeakPolarHBondContact O-CG 3.42Å; C415-R421 PolarHBondContact O-NH1 3.2Å; G416-R421 PolarHBondContact O-NH1 3.17Å; E417-R421 VanDerWaalsContact C-NH1 3.32Å; E417-R421 PolarHBondContact O-N 3.26Å; E417-R421 PolarHBondContact O-NH1 2.85Å; R418-R421 WeakPolarHBondContact O-CB 3.39Å; R418-R421 PolarHBondContact O-N 2.72Å; R418-R421 VanDerWaalsContact O-N 3.13Å; E419-R421 VanDerWaalsContact C-N 3.33Å; E419-R421 PolarHBondContact O-N 2.99Å; R421-E423 VanDerWaalsContact C-N 3.34Å; R421-E423 PolarHBondContact O-N 2.92Å; R421-L424 PolarHBondContact O-N 3.47Å; R421-L425 VanDerWaalsContact O-CG 3.31Å; R421-L425 WeakPolarHBondContact O-CG 3.17Å; R421-L425 PolarHBondContact O-N 2.94Å; R421-E453 IonicContact CZ-OE1 3.23Å; R421-E453 IonicContact CZ-OE2 2.92Å; R421-E453 IonicContact NE-OE1 3.77Å; R421-E453 PolarHBondContact NE-OE1 3.36Å; R421-E453 IonicContact NE-OE2 2.68Å; R421-E453 PolarHBondContact NE-OE2 3.09Å; R421-E453 IonicContact NH2-OE1 2.7Å; R421-E453 PolarHBondContact NH2-OE1 3.27Å; R421-E453 IonicContact NH2-OE2 3.37Å
422	L	93.6	Very high	92.5	Very high	17 Å²	17	40.4 Å²	40.4	9%	0.089	20%	0.202	C	C	.	.	H	α-helix	trans	-64.3	-38.5	179.1	-65.6	-175.5	0	0	0	111.8	R418 E419 L424 L425 K426 E453 V457	R418-L422 HydrophobicContact CG-CD1 4.09Å; R418-L422 HydrophobicContact CG-CG 4.16Å; R418-L422 WeakPolarHBondContact O-CG 3.46Å; R418-L422 PolarHBondContact O-N 3.02Å; E419-L422 PolarHBondContact O-N 2.9Å; L422-L424 VanDerWaalsContact C-N 3.31Å; L422-L424 PolarHBondContact O-N 2.7Å; L422-L425 PolarHBondContact O-N 2.87Å; L422-K426 WeakPolarHBondContact O-CB 3.42Å; L422-K426 WeakPolarHBondContact O-CG 3.39Å; L422-K426 PolarHBondContact O-N 3.28Å; L422-E453 HydrophobicContact CD2-CB 3.9Å; L422-E453 HydrophobicContact CD2-CG 3.99Å; L422-V457 HydrophobicContact CB-CG1 4.38Å; L422-V457 HydrophobicContact CD2-CG1 3.8Å
423	E	93.7	Very high	92.9	Very high	131 Å²	131	40.1 Å²	40.1	61%	0.612	20%	0.201	S	C	*	.	H	α-helix	trans	-59	-42.4	175.1	-74.1	-169.1	169	0	0	112.2	E419 D420 R421	E419-E423 WeakPolarHBondContact O-CG 3.01Å; E419-E423 PolarHBondContact O-N 2.76Å; D420-E423 PolarHBondContact O-N 3.28Å; R421-E423 VanDerWaalsContact C-N 3.34Å; R421-E423 PolarHBondContact O-N 2.92Å
424	L	94.8	Very high	93.1	Very high	22 Å²	22	40.3 Å²	40.3	12%	0.115	20%	0.202	C	C	.	.	H	α-helix	trans	-67.2	-46.6	175.4	178.7	62.1	0	0	0	112	Y341 T344 Q346 L395 D420 R421 L422 K426 L427 S428	Y341-L424 HydrophobicContact CD2-CD1 4.23Å; Y341-L424 HydrophobicContact CE2-CD1 4.02Å; T344-L424 HydrophobicContact CG2-CD1 4.1Å; T344-L424 HydrophobicContact CG2-CG 4.31Å; Q346-L424 HydrophobicContact CG-CD2 3.66Å; L395-L424 HydrophobicContact CD2-CD1 3.46Å; L395-L424 VanDerWaalsContact CD2-CD1 3.46Å; L395-L424 HydrophobicContact CD2-CD2 3.85Å; L395-L424 HydrophobicContact CD2-CG 4.31Å; D420-L424 PolarHBondContact O-N 2.94Å; R421-L424 PolarHBondContact O-N 3.47Å; L422-L424 VanDerWaalsContact C-N 3.31Å; L422-L424 PolarHBondContact O-N 2.7Å; L424-K426 VanDerWaalsContact C-N 3.28Å; L424-K426 PolarHBondContact O-N 3.44Å; L424-L427 WeakPolarHBondContact O-CB 3.46Å; L424-L427 PolarHBondContact O-N 2.83Å; L424-S428 PolarHBondContact O-N 2.83Å; L424-S428 PolarHBondContact O-OG 2.99Å
425	L	95.6	Very high	93	Very high	20 Å²	20	39.5 Å²	39.5	11%	0.105	20%	0.197	C	C	.	.	H	α-helix	trans	-65.6	-31.5	-177.9	-67.8	174.2	0	0	0	112.2	R339 R421 L422 L427 S428 A431 E453 V457	R339-L425 PolarHBondContact NH1-O 3.4Å; R421-L425 VanDerWaalsContact O-CG 3.31Å; R421-L425 WeakPolarHBondContact O-CG 3.17Å; R421-L425 PolarHBondContact O-N 2.94Å; L422-L425 PolarHBondContact O-N 2.87Å; L425-L427 PolarHBondContact O-N 2.8Å; L425-S428 WeakPolarHBondContact O-CB 3.11Å; L425-S428 PolarHBondContact O-N 2.74Å; L425-A431 HydrophobicContact CD2-CB 3.72Å; L425-E453 HydrophobicContact CD1-CB 3.84Å; L425-V457 HydrophobicContact CB-CG2 3.47Å; L425-V457 VanDerWaalsContact CB-CG2 3.47Å
426	K	95.2	Very high	92.7	Very high	83 Å²	83	39.3 Å²	39.3	36%	0.361	20%	0.196	S	C	.	.	H	α-helix	trans	-58.2	-27.3	170.7	-78.6	170.7	-179	178.8	0	113	P332 R339 L422 L424 V457	P332-K426 HydrophobicContact CB-CG 4.3Å; P332-K426 HydrophobicContact CG-CG 4.22Å; R339-K426 VanDerWaalsContact CD-O 3.27Å; R339-K426 WeakPolarHBondContact CD-O 3.36Å; R339-K426 PolarHBondContact NE-O 3.23Å; R339-K426 PolarHBondContact NH1-O 3.47Å; L422-K426 WeakPolarHBondContact O-CB 3.42Å; L422-K426 WeakPolarHBondContact O-CG 3.39Å; L422-K426 PolarHBondContact O-N 3.28Å; L424-K426 VanDerWaalsContact C-N 3.28Å; L424-K426 PolarHBondContact O-N 3.44Å; K426-V457 HydrophobicContact CG-CB 4.12Å; K426-V457 HydrophobicContact CG-CG1 4Å
427	L	96.1	Very high	92	Very high	79 Å²	79	39.7 Å²	39.7	41%	0.414	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-3.2	176.3	-60.6	177.6	0	0	0	113.5	R339 K340 Y341 L424 L425	R339-L427 VanDerWaalsContact CB-O 3.25Å; R339-L427 WeakPolarHBondContact CB-O 3.44Å; K340-L427 HydrophobicContact CB-CB 4.38Å; K340-L427 HydrophobicContact CD-CD1 4.46Å; K340-L427 PolarHBondContact N-O 3.42Å; Y341-L427 HydrophobicContact CD2-CB 3.91Å; Y341-L427 HydrophobicContact CE2-CB 4.14Å; Y341-L427 HydrophobicContact CE2-CD1 4.3Å; Y341-L427 PolarHBondContact N-O 3.21Å; L424-L427 WeakPolarHBondContact O-CB 3.46Å; L424-L427 PolarHBondContact O-N 2.83Å; L425-L427 PolarHBondContact O-N 2.8Å
428	S	96.9	Very high	91.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.1	-170.1	-55.4	0	0	0	0	111.7	R339 T344 L424 L425	R339-S428 WeakPolarHBondContact CD-O 3.15Å; R339-S428 PolarHBondContact NH1-O 3.33Å; T344-S428 WeakPolarHBondContact CB-OG 3.33Å; T344-S428 WeakPolarHBondContact CG2-OG 3.42Å; T344-S428 WeakPolarHBondContact OG1-CB 3.47Å; T344-S428 PolarHBondContact OG1-OG 3.3Å; L424-S428 PolarHBondContact O-N 2.83Å; L424-S428 PolarHBondContact O-OG 2.99Å; L425-S428 WeakPolarHBondContact O-CB 3.11Å; L425-S428 PolarHBondContact O-N 2.74Å
429	T	97.4	Very high	91	Very high	2 Å²	2	37 Å²	37	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-49.8	175.8	-52.5	0	0	0	0	110.9	R339 Y341 L342 V460 L505	R339-T429 PolarHBondContact N-OG1 3.16Å; Y341-T429 WeakPolarHBondContact O-CB 3.38Å; Y341-T429 PolarHBondContact O-N 3.42Å; Y341-T429 PolarHBondContact O-OG1 2.94Å; L342-T429 VanDerWaalsContact O-CB 3.28Å; L342-T429 WeakPolarHBondContact O-CB 3.39Å; T429-V460 PolarHBondContact O-N 3.21Å; T429-L505 HydrophobicContact CG2-CD1 4.07Å; T429-L505 HydrophobicContact CG2-CD2 3.42Å; T429-L505 VanDerWaalsContact CG2-CD2 3.42Å; T429-L505 HydrophobicContact CG2-CG 4.28Å
430	F	98.1	Very high	90.6	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	146.1	173.4	-60	-81.1	0	0	0	110.7	L342 F343 T344 V460 V462 L483 L497 L500 L505	L342-F430 HydrophobicContact CD1-CD2 4.1Å; L342-F430 HydrophobicContact CD1-CE2 4Å; L342-F430 VanDerWaalsContact O-CD2 3.26Å; L342-F430 WeakPolarHBondContact O-CD2 3.28Å; L342-F430 PolarHBondContact O-N 3.35Å; F343-F430 VanDerWaalsContact CA-O 3.27Å; F343-F430 WeakPolarHBondContact CA-O 3.35Å; F343-F430 HydrophobicContact CB-CB 3.83Å; T344-F430 PolarHBondContact N-O 3.31Å; F430-V460 CarbonylContact C-O 3.58Å; F430-V460 WeakPolarHBondContact CA-O 3.48Å; F430-V460 HydrophobicContact CD1-CB 3.67Å; F430-V460 HydrophobicContact CD1-CG1 3.88Å; F430-V460 HydrophobicContact CE1-CB 3.95Å; F430-V460 HydrophobicContact CE1-CG1 3.97Å; F430-V462 HydrophobicContact CB-CG2 3.78Å; F430-V462 HydrophobicContact CD1-CG2 3.67Å; F430-V462 HydrophobicContact CG-CG2 4Å; F430-L483 HydrophobicContact CE1-CD1 4.19Å; F430-L497 HydrophobicContact CB-CD1 4.34Å; F430-L497 HydrophobicContact CD1-CD2 3.83Å; F430-L497 HydrophobicContact CD2-CB 4.11Å; F430-L497 HydrophobicContact CD2-CD1 3.95Å; F430-L497 HydrophobicContact CD2-CD2 4.06Å; F430-L497 HydrophobicContact CD2-CG 4.25Å; F430-L497 HydrophobicContact CE1-CD2 3.83Å; F430-L497 HydrophobicContact CE2-CB 3.85Å; F430-L497 HydrophobicContact CE2-CD2 4.07Å; F430-L497 HydrophobicContact CE2-CG 4.34Å; F430-L497 HydrophobicContact CG-CD1 4.13Å; F430-L497 HydrophobicContact CG-CD2 3.96Å; F430-L497 HydrophobicContact CZ-CB 4.33Å; F430-L497 HydrophobicContact CZ-CD2 3.96Å; F430-L500 HydrophobicContact CE1-CD1 3.8Å; F430-L500 HydrophobicContact CZ-CD1 3.64Å; F430-L505 HydrophobicContact CE1-CD1 3.66Å; F430-L505 HydrophobicContact CE2-CD1 4.39Å; F430-L505 HydrophobicContact CZ-CD1 3.57Å
431	A	97.6	Very high	90.4	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.033	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	114.7	172.2	0	0	0	0	0	108.7	L425 A454 A459 V460 V462	L425-A431 HydrophobicContact CD2-CB 3.72Å; A431-A454 HydrophobicContact CB-CB 3.54Å; A431-A459 HydrophobicContact CB-CB 4.07Å; A431-V460 PolarHBondContact N-O 3.48Å; A431-V462 PolarHBondContact O-N 3.18Å
432	L	96.7	Very high	90.2	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	130.3	179.7	-167.3	67.6	0	0	0	109.8	F343 T344 F345 L383 I434 V462 L464	F343-L432 HydrophobicContact CD2-CB 4.49Å; F343-L432 HydrophobicContact CD2-CD2 4.46Å; F343-L432 HydrophobicContact CE2-CD2 4.43Å; T344-L432 WeakPolarHBondContact O-CB 3.41Å; T344-L432 PolarHBondContact O-N 2.84Å; F345-L432 HydrophobicContact CB-CB 4.13Å; F345-L432 HydrophobicContact CB-CD2 4.19Å; F345-L432 HydrophobicContact CD2-CB 4.34Å; F345-L432 WeakPolarHBondContact CD2-O 3.29Å; L383-L432 HydrophobicContact CD1-CD2 3.56Å; L383-L432 HydrophobicContact CD2-CD2 4.11Å; L432-I434 HydrophobicContact CD2-CG1 4.38Å; L432-I434 HydrophobicContact CG-CG1 4.4Å; L432-V462 HydrophobicContact CD1-CB 4.03Å; L432-V462 HydrophobicContact CD1-CG1 3.85Å; L432-L464 HydrophobicContact CD1-CD1 3.72Å; L432-L464 HydrophobicContact CD1-CD2 4.23Å; L432-L464 HydrophobicContact CD1-CG 3.67Å; L432-L464 HydrophobicContact CD2-CD1 4.05Å; L432-L464 HydrophobicContact CG-CD1 4.12Å; L432-L464 HydrophobicContact CG-CG 4.38Å
433	I	94.7	Very high	90	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	106.4	179.2	-55.9	178.9	0	0	0	107.7	R450 L451 P461 V462 V463 L464	I433-R450 HydrophobicContact CD1-CB 4.11Å; I433-R450 HydrophobicContact CG1-CB 4.08Å; I433-R450 HydrophobicContact CG2-CB 4.32Å; I433-L451 HydrophobicContact CD1-CB 4.05Å; I433-L451 HydrophobicContact CD1-CD1 4.21Å; I433-P461 HydrophobicContact CD1-CB 3.99Å; I433-V462 PolarHBondContact N-O 3.05Å; I433-V463 HydrophobicContact CB-CG2 4.41Å; I433-V463 HydrophobicContact CD1-CG2 4.44Å; I433-V463 CarbonylContact O-C 3.43Å; I433-V463 WeakPolarHBondContact O-CA 3.49Å; I433-L464 PolarHBondContact O-N 3.2Å
434	I	91.2	Very high	89.7	Confident	7 Å²	7	27.7 Å²	27.7	4%	0.036	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	118.8	178.3	-53.6	177.8	0	0	0	108.6	F345 I379 L383 F398 L432 L464	F345-I434 HydrophobicContact CD1-CD1 4.21Å; F345-I434 HydrophobicContact CD2-CD1 3.95Å; F345-I434 HydrophobicContact CD2-CG1 3.96Å; F345-I434 HydrophobicContact CE1-CD1 3.87Å; F345-I434 HydrophobicContact CE2-CB 4.02Å; F345-I434 HydrophobicContact CE2-CD1 3.59Å; F345-I434 HydrophobicContact CE2-CG1 3.57Å; F345-I434 HydrophobicContact CG-CD1 4.25Å; F345-I434 HydrophobicContact CZ-CB 4.33Å; F345-I434 HydrophobicContact CZ-CD1 3.54Å; F345-I434 HydrophobicContact CZ-CG1 4Å; I379-I434 HydrophobicContact CG2-CD1 3.88Å; L383-I434 HydrophobicContact CD1-CD1 4.37Å; F398-I434 HydrophobicContact CE1-CD1 4.45Å; L432-I434 HydrophobicContact CD2-CG1 4.38Å; L432-I434 HydrophobicContact CG-CG1 4.4Å; I434-L464 HydrophobicContact CG1-CD1 4.27Å
435	T	87.7	Confident	89.3	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-73	149.6	-178.8	63.1	0	0	0	0	111.1	V463 L464 V468 K487	T435-V463 HydrophobicContact CG2-CG1 3.56Å; T435-L464 WeakPolarHBondContact CB-O 3.24Å; T435-L464 VanDerWaalsContact CG2-O 3.28Å; T435-L464 WeakPolarHBondContact CG2-O 3.45Å; T435-L464 PolarHBondContact N-O 2.96Å; T435-L464 PolarHBondContact OG1-O 2.97Å; T435-V468 HydrophobicContact CG2-CB 4.16Å; T435-V468 HydrophobicContact CG2-CG2 3.32Å; T435-K487 WeakPolarHBondContact O-CE 3.18Å; T435-K487 PolarHBondContact O-NZ 2.76Å; T435-K487 WeakPolarHBondContact OG1-CE 3.38Å
436	P	82.3	Confident	88.9	Confident	6 Å²	6	25.8 Å²	25.8	4%	0.039	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-56.4	155.2	178.3	-29.1	39.6	0	0	0	113.5	T410 E411 L441 K487	T410-P436 WeakPolarHBondContact O-CA 3.48Å; T410-P436 WeakPolarHBondContact O-CB 3.48Å; E411-P436 HydrophobicContact CB-CB 4.46Å; E411-P436 HydrophobicContact CB-CG 4.07Å; E411-P436 HydrophobicContact CG-CG 4.03Å; P436-L441 HydrophobicContact CB-CD2 3.7Å; P436-L441 HydrophobicContact CG-CD2 3.53Å; P436-K487 PolarHBondContact O-NZ 2.73Å
437	G	72.6	Confident	88.6	Confident	41 Å²	41	22.1 Å²	22.1	42%	0.423	12%	0.123	S	C	.	.	S	Bend	trans	-73.3	-21.9	179.6	0	0	0	0	0	114.7	T410 P439	T410-G437 PolarHBondContact O-N 2.94Å; G437-P439 VanDerWaalsContact O-CD 3.27Å; G437-P439 WeakPolarHBondContact O-CD 3.07Å
438	D	78.5	Confident	88.3	Confident	22 Å²	22	18.4 Å²	18.4	12%	0.118	10%	0.104	C	C	.	.			trans	-72.1	113.3	-176.9	-170.2	-14.6	0	0	0	111.4	T410 R440 L441	T410-D438 HydrophobicContact CG2-CB 4.3Å; D438-R440 PolarHBondContact O-N 3.43Å; D438-R440 VanDerWaalsContact O-N 3.13Å; D438-R440 VanDerWaalsContact OD1-CB 3.22Å; D438-R440 WeakPolarHBondContact OD1-CB 3.38Å; D438-R440 WeakPolarHBondContact OD1-CG 3.33Å; D438-R440 IonicContact OD1-CZ 3.89Å; D438-R440 PolarHBondContact OD1-N 2.84Å; D438-R440 IonicContact OD1-NE 2.81Å; D438-R440 PolarHBondContact OD1-NE 3.02Å; D438-R440 IonicContact OD1-NH2 3.85Å; D438-R440 IonicContact OD2-CZ 3.69Å; D438-R440 IonicContact OD2-NE 2.73Å; D438-R440 PolarHBondContact OD2-NE 3.15Å; D438-R440 IonicContact OD2-NH2 3.29Å; D438-R440 PolarHBondContact OD2-NH2 3.31Å; D438-L441 HydrophobicContact CB-CB 4.4Å; D438-L441 PolarHBondContact O-N 3.48Å; D438-L441 VanDerWaalsContact O-N 3.13Å
439	P	75.5	Confident	88.1	Confident	106 Å²	106	18.8 Å²	18.8	69%	0.688	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-11.8	179.4	29.9	-36.4	0	0	0	113.3	G437 L441	G437-P439 VanDerWaalsContact O-CD 3.27Å; G437-P439 WeakPolarHBondContact O-CD 3.07Å; P439-L441 VanDerWaalsContact C-N 3.32Å
440	R	82.4	Confident	87.9	Confident	158 Å²	158	20 Å²	20	60%	0.596	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-8	177.1	-55.8	170.3	-63.4	177	5	112.3	Y304 A305 D438	Y304-R440 CarbonylContact C-O 3.55Å; Y304-R440 WeakPolarHBondContact CA-O 3.42Å; A305-R440 WeakPolarHBondContact CB-O 3.44Å; A305-R440 PolarHBondContact N-O 2.78Å; D438-R440 PolarHBondContact O-N 3.43Å; D438-R440 VanDerWaalsContact O-N 3.13Å; D438-R440 VanDerWaalsContact OD1-CB 3.22Å; D438-R440 WeakPolarHBondContact OD1-CB 3.38Å; D438-R440 WeakPolarHBondContact OD1-CG 3.33Å; D438-R440 IonicContact OD1-CZ 3.89Å; D438-R440 PolarHBondContact OD1-N 2.84Å; D438-R440 IonicContact OD1-NE 2.81Å; D438-R440 PolarHBondContact OD1-NE 3.02Å; D438-R440 IonicContact OD1-NH2 3.85Å; D438-R440 IonicContact OD2-CZ 3.69Å; D438-R440 IonicContact OD2-NE 2.73Å; D438-R440 PolarHBondContact OD2-NE 3.15Å; D438-R440 IonicContact OD2-NH2 3.29Å; D438-R440 PolarHBondContact OD2-NH2 3.31Å
441	L	85.7	Confident	87.7	Confident	9 Å²	9	20 Å²	20	5%	0.047	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	129.4	-179.4	-170.5	75.5	0	0	0	110.3	F303 Y304 L408 P436 D438 P439	F303-L441 WeakPolarHBondContact O-CD1 3.22Å; Y304-L441 HydrophobicContact CD1-CD1 3.97Å; Y304-L441 HydrophobicContact CE1-CD1 3.86Å; L408-L441 HydrophobicContact CD1-CD1 3.63Å; L408-L441 HydrophobicContact CD1-CD2 3.8Å; L408-L441 HydrophobicContact CD1-CG 4.38Å; P436-L441 HydrophobicContact CB-CD2 3.7Å; P436-L441 HydrophobicContact CG-CD2 3.53Å; D438-L441 HydrophobicContact CB-CB 4.4Å; D438-L441 PolarHBondContact O-N 3.48Å; D438-L441 VanDerWaalsContact O-N 3.13Å; P439-L441 VanDerWaalsContact C-N 3.32Å
442	V	87.6	Confident	87.5	Confident	12 Å²	12	20 Å²	20	7%	0.073	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-45.2	176.8	171.7	0	0	0	0	110.5	F303 A305 Y308 V468 Q469	F303-V442 HydrophobicContact CB-CB 3.87Å; F303-V442 HydrophobicContact CB-CG1 4.27Å; F303-V442 HydrophobicContact CB-CG2 4.48Å; F303-V442 WeakPolarHBondContact O-CB 3.26Å; F303-V442 PolarHBondContact O-N 3.14Å; A305-V442 HydrophobicContact CB-CG2 4.01Å; Y308-V442 HydrophobicContact CD1-CG1 4.23Å; Y308-V442 HydrophobicContact CD1-CG2 4.25Å; Y308-V442 HydrophobicContact CG-CG1 4.39Å; Y308-V442 HydrophobicContact CG-CG2 4.37Å; V442-V468 WeakPolarHBondContact O-CA 3.35Å; V442-Q469 HydrophobicContact CG1-CB 3.52Å; V442-Q469 HydrophobicContact CG1-CG 3.62Å; V442-Q469 PolarHBondContact O-N 2.79Å; V442-Q469 VanDerWaalsContact O-N 3.13Å
443	I	89.2	Confident	87.4	Confident	2 Å²	2	20 Å²	20	1%	0.01	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	151.6	174.9	-171.7	161.9	0	0	0	109.1	T302 F303 V315 A448 V468 Q469 P471	T302-I443 WeakPolarHBondContact CA-O 3.45Å; F303-I443 HydrophobicContact CB-CG2 4.42Å; F303-I443 HydrophobicContact CD2-CG2 4.47Å; F303-I443 PolarHBondContact N-O 2.98Å; F303-I443 PolarHBondContact O-N 2.82Å; V315-I443 HydrophobicContact CG1-CD1 3.88Å; V315-I443 HydrophobicContact CG1-CG2 3.7Å; V315-I443 HydrophobicContact CG2-CG2 4.25Å; I443-A448 HydrophobicContact CD1-CB 4.1Å; I443-A448 HydrophobicContact CG1-CB 4.46Å; I443-V468 HydrophobicContact CG1-CG1 4.48Å; I443-Q469 WeakPolarHBondContact CD1-O 3.13Å; I443-P471 HydrophobicContact CD1-CG 4.45Å
444	S	87.9	Confident	87.4	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.007	11%	0.109	C	C	.	.			trans	-116.7	157.6	172.3	51.3	0	0	0	0	111.8	S301 E411 G446 C447 A448	S301-S444 CarbonylContact O-C 3.57Å; E411-S444 WeakPolarHBondContact OE1-CB 3.25Å; E411-S444 PolarHBondContact OE1-OG 2.66Å; E411-S444 VanDerWaalsContact OE2-CB 3.24Å; E411-S444 WeakPolarHBondContact OE2-CB 3.49Å; E411-S444 PolarHBondContact OE2-OG 3.43Å; S444-G446 VanDerWaalsContact C-N 3.3Å; S444-G446 PolarHBondContact O-N 3.25Å; S444-C447 PolarHBondContact O-N 2.7Å; S444-C447 VanDerWaalsContact OG-CB 3.28Å; S444-C447 WeakPolarHBondContact OG-CB 3.25Å; S444-C447 PolarHBondContact OG-N 3.22Å; S444-A448 WeakPolarHBondContact O-CB 3.49Å; S444-A448 PolarHBondContact O-N 3.29Å
445	S	86.1	Confident	87.6	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-55.4	-44.4	172.5	-161.7	0	0	0	0	111.2	S279 K281 T302 C447 A448 T449	S279-S445 WeakPolarHBondContact CB-OG 3.49Å; S279-S445 PolarHBondContact OG-OG 2.84Å; K281-S445 PolarHBondContact O-OG 3.05Å; T302-S445 PolarHBondContact OG1-N 2.85Å; S445-C447 PolarHBondContact O-N 3.42Å; S445-A448 PolarHBondContact O-N 3.05Å; S445-T449 WeakPolarHBondContact O-CB 3.48Å; S445-T449 PolarHBondContact O-N 3.28Å; S445-T449 PolarHBondContact O-OG1 3.23Å
446	G	87.2	Confident	87.8	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-62.7	-42.4	178.6	0	0	0	0	0	114.2	E411 S444 T449 R450	E411-G446 WeakPolarHBondContact OE1-CA 3.38Å; E411-G446 PolarHBondContact OE1-N 2.79Å; S444-G446 VanDerWaalsContact C-N 3.3Å; S444-G446 PolarHBondContact O-N 3.25Å; G446-T449 PolarHBondContact O-N 3.42Å; G446-R450 WeakPolarHBondContact O-CG 3.18Å; G446-R450 PolarHBondContact O-N 3.45Å
447	C	88.9	Confident	88.4	Confident	6 Å²	6	20.4 Å²	20.4	4%	0.041	11%	0.112	C	C	.	.	H	α-helix	trans	-62.2	-45	173.6	-173.6	0	0	0	0	111.4	E411 S444 S445 T449 R450 L451	E411-C447 PolarHBondContact OE1-N 2.84Å; E411-C447 VanDerWaalsContact OE1-N 3.14Å; S444-C447 PolarHBondContact O-N 2.7Å; S444-C447 VanDerWaalsContact OG-CB 3.28Å; S444-C447 WeakPolarHBondContact OG-CB 3.25Å; S444-C447 PolarHBondContact OG-N 3.22Å; S445-C447 PolarHBondContact O-N 3.42Å; C447-T449 VanDerWaalsContact C-N 3.34Å; C447-T449 PolarHBondContact O-N 3.03Å; C447-R450 PolarHBondContact O-N 3.34Å; C447-L451 PolarHBondContact O-N 3.16Å
448	A	90.9	Very high	89.4	Confident	2 Å²	2	19 Å²	19	2%	0.017	10%	0.097	C	C	.	.	H	α-helix	trans	-64.8	-36.5	177.6	0	0	0	0	0	112.3	P318 I443 S444 S445 L451 F452	P318-A448 HydrophobicContact CG-CB 4.23Å; I443-A448 HydrophobicContact CD1-CB 4.1Å; I443-A448 HydrophobicContact CG1-CB 4.46Å; S444-A448 WeakPolarHBondContact O-CB 3.49Å; S444-A448 PolarHBondContact O-N 3.29Å; S445-A448 PolarHBondContact O-N 3.05Å; A448-L451 PolarHBondContact O-N 2.92Å; A448-F452 WeakPolarHBondContact O-CB 3.47Å; A448-F452 PolarHBondContact O-N 2.94Å
449	T	91.8	Very high	90.2	Very high	7 Å²	7	18.1 Å²	18.1	4%	0.043	9%	0.093	C	C	.	.	H	α-helix	trans	-63.3	-45.2	173.5	-60.4	0	0	0	0	111.6	L414 S445 G446 C447 L451 F452 E453	L414-T449 HydrophobicContact CD1-CG2 4.45Å; S445-T449 WeakPolarHBondContact O-CB 3.48Å; S445-T449 PolarHBondContact O-N 3.28Å; S445-T449 PolarHBondContact O-OG1 3.23Å; G446-T449 PolarHBondContact O-N 3.42Å; C447-T449 VanDerWaalsContact C-N 3.34Å; C447-T449 PolarHBondContact O-N 3.03Å; T449-L451 VanDerWaalsContact C-N 3.32Å; T449-L451 PolarHBondContact O-N 2.98Å; T449-F452 WeakPolarHBondContact O-CB 3.3Å; T449-F452 PolarHBondContact O-N 3.42Å; T449-E453 HydrophobicContact CG2-CG 4.35Å; T449-E453 WeakPolarHBondContact CG2-OE1 3.46Å; T449-E453 WeakPolarHBondContact O-CG 3.35Å; T449-E453 PolarHBondContact O-N 3.35Å
450	R	92.5	Very high	91.3	Very high	27 Å²	27	13.1 Å²	13.1	10%	0.102	6%	0.06	C	C	.	.	H	α-helix	trans	-61.9	-41.2	176.7	-69.4	176.7	178.9	-83.8	1.2	112.1	Q346 W412 A413 L414 I433 G446 C447 A454	Q346-R450 PolarHBondContact O-NH1 3.45Å; Q346-R450 PolarHBondContact O-NH2 3.32Å; W412-R450 PolarHBondContact O-NH2 2.93Å; A413-R450 PolarHBondContact O-NH2 2.88Å; L414-R450 HydrophobicContact CD2-CG 3.77Å; I433-R450 HydrophobicContact CD1-CB 4.11Å; I433-R450 HydrophobicContact CG1-CB 4.08Å; I433-R450 HydrophobicContact CG2-CB 4.32Å; G446-R450 WeakPolarHBondContact O-CG 3.18Å; G446-R450 PolarHBondContact O-N 3.45Å; C447-R450 PolarHBondContact O-N 3.34Å; R450-A454 VanDerWaalsContact O-CB 3.3Å; R450-A454 WeakPolarHBondContact O-CB 3.27Å; R450-A454 PolarHBondContact O-N 3.46Å
451	L	94.4	Very high	92.1	Very high	4 Å²	4	5.6 Å²	5.6	2%	0.021	3%	0.032	C	C	.	.	H	α-helix	trans	-60.9	-47.7	175.2	-178.6	68	0	0	0	110.7	I433 C447 A448 T449 A454 L455 P461 L470 P471 W478	I433-L451 HydrophobicContact CD1-CB 4.05Å; I433-L451 HydrophobicContact CD1-CD1 4.21Å; C447-L451 PolarHBondContact O-N 3.16Å; A448-L451 PolarHBondContact O-N 2.92Å; T449-L451 VanDerWaalsContact C-N 3.32Å; T449-L451 PolarHBondContact O-N 2.98Å; L451-A454 PolarHBondContact O-N 3.31Å; L451-L455 HydrophobicContact CD1-CD1 4.43Å; L451-L455 HydrophobicContact CG-CD1 4.24Å; L451-L455 VanDerWaalsContact O-CG 3.28Å; L451-L455 WeakPolarHBondContact O-CG 3.17Å; L451-L455 PolarHBondContact O-N 2.8Å; L451-L455 VanDerWaalsContact O-N 3.11Å; L451-P461 HydrophobicContact CD1-CB 3.77Å; L451-P461 HydrophobicContact CD1-CG 3.76Å; L451-L470 HydrophobicContact CD2-CD2 3.91Å; L451-P471 HydrophobicContact CD2-CG 4.18Å; L451-W478 HydrophobicContact CD1-CH2 4.23Å; L451-W478 HydrophobicContact CD1-CZ3 3.95Å; L451-W478 HydrophobicContact CD2-CH2 3.64Å; L451-W478 HydrophobicContact CD2-CZ2 4.1Å; L451-W478 HydrophobicContact CD2-CZ3 4.18Å; L451-W478 HydrophobicContact CG-CH2 4.14Å; L451-W478 HydrophobicContact CG-CZ3 4.36Å
452	F	94	Very high	92.6	Very high	2 Å²	2	5.2 Å²	5.2	1%	0.009	3%	0.03	C	C	.	.	H	α-helix	trans	-58.2	-52.1	177.5	-179.2	-84	0	0	0	112.2	V320 H321 A448 T449 A454 L455 E456 W516 F520	V320-F452 HydrophobicContact CB-CD1 4.01Å; V320-F452 HydrophobicContact CB-CE1 3.55Å; V320-F452 HydrophobicContact CB-CE2 4.43Å; V320-F452 HydrophobicContact CB-CZ 3.77Å; V320-F452 HydrophobicContact CG1-CD1 4.29Å; V320-F452 HydrophobicContact CG1-CE1 3.78Å; V320-F452 HydrophobicContact CG1-CZ 4.39Å; V320-F452 HydrophobicContact CG2-CD1 3.69Å; V320-F452 HydrophobicContact CG2-CD2 4.44Å; V320-F452 HydrophobicContact CG2-CE1 3.78Å; V320-F452 HydrophobicContact CG2-CE2 4.5Å; V320-F452 HydrophobicContact CG2-CG 4.04Å; V320-F452 HydrophobicContact CG2-CZ 4.18Å; H321-F452 AromaticContact CD2-CZ 3.71Å; A448-F452 WeakPolarHBondContact O-CB 3.47Å; A448-F452 PolarHBondContact O-N 2.94Å; T449-F452 WeakPolarHBondContact O-CB 3.3Å; T449-F452 PolarHBondContact O-N 3.42Å; F452-A454 VanDerWaalsContact C-N 3.31Å; F452-A454 PolarHBondContact O-N 3.43Å; F452-L455 PolarHBondContact O-N 3.05Å; F452-E456 WeakPolarHBondContact CE1-OE2 3.48Å; F452-E456 WeakPolarHBondContact O-CB 3.45Å; F452-E456 PolarHBondContact O-N 3.37Å; F452-W516 AromaticContact CD2-CD1 3.99Å; F452-W516 AromaticContact CD2-NE1 3.97Å; F452-W516 AromaticContact CE1-NE1 3.65Å; F452-W516 AromaticContact CE2-CD1 3.73Å; F452-W516 AromaticContact CE2-NE1 3.35Å; F452-W516 AromaticContact CZ-NE1 3.17Å; F452-F520 HydrophobicContact CD2-CB 4.05Å; F452-F520 HydrophobicContact CE2-CB 4.05Å; F452-F520 WeakPolarHBondContact CE2-O 3.44Å
453	E	93.9	Very high	93	Very high	4 Å²	4	4.7 Å²	4.7	2%	0.019	3%	0.027	C	C	.	.	H	α-helix	trans	-61.9	-38.5	-178.5	-71.6	176.5	179.3	0	0	112	R421 L422 L425 T449 V457	R421-E453 IonicContact CZ-OE1 3.23Å; R421-E453 IonicContact CZ-OE2 2.92Å; R421-E453 IonicContact NE-OE1 3.77Å; R421-E453 PolarHBondContact NE-OE1 3.36Å; R421-E453 IonicContact NE-OE2 2.68Å; R421-E453 PolarHBondContact NE-OE2 3.09Å; R421-E453 IonicContact NH2-OE1 2.7Å; R421-E453 PolarHBondContact NH2-OE1 3.27Å; R421-E453 IonicContact NH2-OE2 3.37Å; L422-E453 HydrophobicContact CD2-CB 3.9Å; L422-E453 HydrophobicContact CD2-CG 3.99Å; L425-E453 HydrophobicContact CD1-CB 3.84Å; T449-E453 HydrophobicContact CG2-CG 4.35Å; T449-E453 WeakPolarHBondContact CG2-OE1 3.46Å; T449-E453 WeakPolarHBondContact O-CG 3.35Å; T449-E453 PolarHBondContact O-N 3.35Å; E453-V457 WeakPolarHBondContact O-CG2 3.22Å; E453-V457 PolarHBondContact O-N 2.87Å
454	A	95.8	Very high	93.1	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-63	-46.9	176	0	0	0	0	0	111.9	A431 R450 L451 F452 G458 A459 P461	A431-A454 HydrophobicContact CB-CB 3.54Å; R450-A454 VanDerWaalsContact O-CB 3.3Å; R450-A454 WeakPolarHBondContact O-CB 3.27Å; R450-A454 PolarHBondContact O-N 3.46Å; L451-A454 PolarHBondContact O-N 3.31Å; F452-A454 VanDerWaalsContact C-N 3.31Å; F452-A454 PolarHBondContact O-N 3.43Å; A454-G458 PolarHBondContact O-N 2.78Å; A454-G458 VanDerWaalsContact O-N 3.16Å; A454-A459 CarbonylContact C-O 3.55Å; A454-A459 PolarHBondContact O-N 3.35Å; A454-P461 HydrophobicContact CB-CB 4.48Å; A454-P461 HydrophobicContact CB-CG 3.98Å
455	L	95.3	Very high	93	Very high	3 Å²	3	4.6 Å²	4.6	2%	0.016	3%	0.026	C	C	.	.	H	α-helix	trans	-66.6	-41.1	179.1	-64.1	172.3	0	0	0	112.1	L451 F452 V457 G458 P461 W478 W516 F520	L451-L455 HydrophobicContact CD1-CD1 4.43Å; L451-L455 HydrophobicContact CG-CD1 4.24Å; L451-L455 VanDerWaalsContact O-CG 3.28Å; L451-L455 WeakPolarHBondContact O-CG 3.17Å; L451-L455 PolarHBondContact O-N 2.8Å; L451-L455 VanDerWaalsContact O-N 3.11Å; F452-L455 PolarHBondContact O-N 3.05Å; L455-V457 VanDerWaalsContact C-N 3.3Å; L455-V457 PolarHBondContact O-N 3.01Å; L455-G458 PolarHBondContact O-N 3.26Å; L455-G458 VanDerWaalsContact O-N 3.11Å; L455-P461 HydrophobicContact CD2-CG 3.79Å; L455-P461 HydrophobicContact CG-CG 4.15Å; L455-W478 HydrophobicContact CD1-CH2 3.93Å; L455-W478 HydrophobicContact CD1-CZ3 3.98Å; L455-W516 HydrophobicContact CB-CB 3.96Å; L455-W516 HydrophobicContact CB-CG 4.38Å; L455-F520 HydrophobicContact CD1-CD2 3.98Å; L455-F520 HydrophobicContact CD1-CE2 3.89Å
456	E	92.3	Very high	92.5	Very high	19 Å²	19	10.8 Å²	10.8	9%	0.089	6%	0.055	C	C	.	.	H	α-helix	trans	-54.4	-45	178.6	174.6	168.9	-153.5	0	0	112.2	H321 R418 F452 R513 W516	H321-E456 IonicContact CE1-OE1 2.7Å; H321-E456 PolarHBondContact CE1-OE1 2.92Å; H321-E456 IonicContact NE2-OE1 2.95Å; H321-E456 PolarHBondContact NE2-OE1 3.42Å; R418-E456 IonicContact CZ-OE2 3.6Å; R418-E456 IonicContact NH2-OE1 2.6Å; R418-E456 PolarHBondContact NH2-OE1 3.21Å; R418-E456 IonicContact NH2-OE2 2.8Å; R418-E456 PolarHBondContact NH2-OE2 2.87Å; F452-E456 WeakPolarHBondContact CE1-OE2 3.48Å; F452-E456 WeakPolarHBondContact O-CB 3.45Å; F452-E456 PolarHBondContact O-N 3.37Å; E456-R513 PolarHBondContact O-NH1 3.08Å; E456-W516 HydrophobicContact CB-CD2 4.43Å; E456-W516 HydrophobicContact CB-CZ2 3.95Å; E456-W516 HydrophobicContact CG-CH2 4.23Å; E456-W516 HydrophobicContact CG-CZ2 3.56Å
457	V	93.3	Very high	92	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.018	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	5.4	-178.8	-57.7	0	0	0	0	113.6	P332 R339 L422 L425 K426 E453 L455 A459	P332-V457 HydrophobicContact CG-CB 3.92Å; P332-V457 WeakPolarHBondContact CG-O 3.46Å; R339-V457 VanDerWaalsContact CZ-O 3.31Å; R339-V457 PolarHBondContact NH1-O 3.12Å; R339-V457 PolarHBondContact NH2-O 2.83Å; L422-V457 HydrophobicContact CB-CG1 4.38Å; L422-V457 HydrophobicContact CD2-CG1 3.8Å; L425-V457 HydrophobicContact CB-CG2 3.47Å; L425-V457 VanDerWaalsContact CB-CG2 3.47Å; K426-V457 HydrophobicContact CG-CB 4.12Å; K426-V457 HydrophobicContact CG-CG1 4Å; E453-V457 WeakPolarHBondContact O-CG2 3.22Å; E453-V457 PolarHBondContact O-N 2.87Å; L455-V457 VanDerWaalsContact C-N 3.3Å; L455-V457 PolarHBondContact O-N 3.01Å; V457-A459 VanDerWaalsContact C-N 3.3Å; V457-A459 HydrophobicContact CG2-CB 4.14Å; V457-A459 PolarHBondContact O-N 3.2Å
458	G	94	Very high	91.7	Very high	12 Å²	12	15.5 Å²	15.5	12%	0.124	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	25.3	179.2	0	0	0	0	0	114.6	A454 L455 R509	A454-G458 PolarHBondContact O-N 2.78Å; A454-G458 VanDerWaalsContact O-N 3.16Å; L455-G458 PolarHBondContact O-N 3.26Å; L455-G458 VanDerWaalsContact O-N 3.11Å; G458-R509 WeakPolarHBondContact O-CD 3.42Å; G458-R509 WeakPolarHBondContact O-CG 3.49Å; G458-R509 PolarHBondContact O-NE 2.88Å
459	A	96.5	Very high	91.7	Very high	2 Å²	2	18.3 Å²	18.3	2%	0.017	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-83.2	130.2	166.6	0	0	0	0	0	108.7	A431 A454 V457 P461	A431-A459 HydrophobicContact CB-CB 4.07Å; A454-A459 CarbonylContact C-O 3.55Å; A454-A459 PolarHBondContact O-N 3.35Å; V457-A459 VanDerWaalsContact C-N 3.3Å; V457-A459 HydrophobicContact CG2-CB 4.14Å; V457-A459 PolarHBondContact O-N 3.2Å; A459-P461 VanDerWaalsContact O-CD 3.28Å; A459-P461 WeakPolarHBondContact O-CD 3.36Å
460	V	98.1	Very high	91.8	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.012	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	120.1	-176.5	174.8	0	0	0	0	109.7	T429 F430 A431 L505 M508 R509	T429-V460 PolarHBondContact O-N 3.21Å; F430-V460 CarbonylContact C-O 3.58Å; F430-V460 WeakPolarHBondContact CA-O 3.48Å; F430-V460 HydrophobicContact CD1-CB 3.67Å; F430-V460 HydrophobicContact CD1-CG1 3.88Å; F430-V460 HydrophobicContact CE1-CB 3.95Å; F430-V460 HydrophobicContact CE1-CG1 3.97Å; A431-V460 PolarHBondContact N-O 3.48Å; V460-L505 HydrophobicContact CB-CD1 4.31Å; V460-L505 HydrophobicContact CG2-CD1 3.71Å; V460-M508 HydrophobicContact CG1-CB 4.31Å; V460-M508 HydrophobicContact CG1-CE 3.74Å; V460-M508 HydrophobicContact CG1-SD 4.14Å; V460-M508 HydrophobicContact CG2-CB 3.98Å; V460-R509 HydrophobicContact CG2-CG 3.74Å
461	P	97.8	Very high	91.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	135.3	-179.3	-17.9	31.3	0	0	0	111.7	I433 L451 A454 L455 A459 A481 A482 L483	I433-P461 HydrophobicContact CD1-CB 3.99Å; L451-P461 HydrophobicContact CD1-CB 3.77Å; L451-P461 HydrophobicContact CD1-CG 3.76Å; A454-P461 HydrophobicContact CB-CB 4.48Å; A454-P461 HydrophobicContact CB-CG 3.98Å; L455-P461 HydrophobicContact CD2-CG 3.79Å; L455-P461 HydrophobicContact CG-CG 4.15Å; A459-P461 VanDerWaalsContact O-CD 3.28Å; A459-P461 WeakPolarHBondContact O-CD 3.36Å; P461-A481 WeakPolarHBondContact CD-O 3.46Å; P461-A482 HydrophobicContact CB-CB 4Å; P461-A482 HydrophobicContact CG-CB 4.27Å; P461-A482 WeakPolarHBondContact O-CA 3.33Å; P461-L483 PolarHBondContact O-N 2.8Å
462	V	97.5	Very high	91.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	101.6	172.8	-177.6	0	0	0	0	107.8	F430 A431 L432 I433 L483 V493 L497	F430-V462 HydrophobicContact CB-CG2 3.78Å; F430-V462 HydrophobicContact CD1-CG2 3.67Å; F430-V462 HydrophobicContact CG-CG2 4Å; A431-V462 PolarHBondContact O-N 3.18Å; L432-V462 HydrophobicContact CD1-CB 4.03Å; L432-V462 HydrophobicContact CD1-CG1 3.85Å; I433-V462 PolarHBondContact N-O 3.05Å; V462-L483 CarbonylContact C-O 3.56Å; V462-L483 WeakPolarHBondContact CA-O 3.27Å; V462-L483 HydrophobicContact CG1-CB 4.47Å; V462-L483 HydrophobicContact CG2-CB 4.39Å; V462-L483 HydrophobicContact CG2-CD1 4.31Å; V462-V493 HydrophobicContact CG1-CG1 4.45Å; V462-L497 HydrophobicContact CG1-CD2 4.5Å; V462-L497 HydrophobicContact CG2-CD1 4.42Å; V462-L497 HydrophobicContact CG2-CD2 3.73Å
463	V	95.4	Very high	91.8	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	116	-175.4	-176.1	0	0	0	0	109.5	I433 T435 L470 L483 V484 V485	I433-V463 HydrophobicContact CB-CG2 4.41Å; I433-V463 HydrophobicContact CD1-CG2 4.44Å; I433-V463 CarbonylContact O-C 3.43Å; I433-V463 WeakPolarHBondContact O-CA 3.49Å; T435-V463 HydrophobicContact CG2-CG1 3.56Å; V463-L470 HydrophobicContact CG2-CD2 4.36Å; V463-L483 PolarHBondContact N-O 3.16Å; V463-V484 HydrophobicContact CB-CG2 4.32Å; V463-V485 PolarHBondContact O-N 3.04Å
464	L	92.2	Very high	91.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	98	174.7	-65.2	-173	0	0	0	111.1	L432 I433 I434 T435 V485 V490 V493	L432-L464 HydrophobicContact CD1-CD1 3.72Å; L432-L464 HydrophobicContact CD1-CD2 4.23Å; L432-L464 HydrophobicContact CD1-CG 3.67Å; L432-L464 HydrophobicContact CD2-CD1 4.05Å; L432-L464 HydrophobicContact CG-CD1 4.12Å; L432-L464 HydrophobicContact CG-CG 4.38Å; I433-L464 PolarHBondContact O-N 3.2Å; I434-L464 HydrophobicContact CG1-CD1 4.27Å; T435-L464 WeakPolarHBondContact CB-O 3.24Å; T435-L464 VanDerWaalsContact CG2-O 3.28Å; T435-L464 WeakPolarHBondContact CG2-O 3.45Å; T435-L464 PolarHBondContact N-O 2.96Å; T435-L464 PolarHBondContact OG1-O 2.97Å; L464-V485 CarbonylContact C-O 3.51Å; L464-V485 WeakPolarHBondContact CA-O 3.46Å; L464-V485 HydrophobicContact CD2-CB 3.99Å; L464-V485 HydrophobicContact CD2-CG1 4.32Å; L464-V490 HydrophobicContact CD1-CG2 4.25Å; L464-V493 HydrophobicContact CD2-CG2 3.8Å
465	G	86	Confident	91.5	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.01	12%	0.119	C	C	.	.			trans	134.7	128.6	178.8	0	0	0	0	0	112	V485	G465-V485 PolarHBondContact N-O 3.16Å
466	E	74.9	Confident	91.5	Very high	130 Å²	130	24.1 Å²	24.1	61%	0.607	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-16	-175.8	-66.3	-175.6	153.2	0	0	113.4	V468 P486	E466-V468 PolarHBondContact O-N 3.38Å; E466-P486 HydrophobicContact CG-CB 3.97Å; E466-P486 HydrophobicContact CG-CG 4.06Å; E466-P486 VanDerWaalsContact OE1-CD 3.27Å; E466-P486 WeakPolarHBondContact OE1-CD 3.4Å; E466-P486 WeakPolarHBondContact OE1-CG 3.41Å
467	Q	76.4	Confident	91.6	Very high	94 Å²	94	26.2 Å²	26.2	44%	0.439	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-4.7	-179	53.5	-92.9	9.6	0	0	114.9
468	V	83.1	Confident	91.7	Very high	13 Å²	13	26.7 Å²	26.7	8%	0.079	13%	0.131	C	C	.	.			trans	-87.7	135	-175.6	172.2	0	0	0	0	112.2	T435 V442 I443 E466 L470	T435-V468 HydrophobicContact CG2-CB 4.16Å; T435-V468 HydrophobicContact CG2-CG2 3.32Å; V442-V468 WeakPolarHBondContact O-CA 3.35Å; I443-V468 HydrophobicContact CG1-CG1 4.48Å; E466-V468 PolarHBondContact O-N 3.38Å; V468-L470 HydrophobicContact CG1-CD2 4.07Å
469	Q	90.1	Very high	91.7	Very high	61 Å²	61	31.7 Å²	31.7	29%	0.285	16%	0.155	S	C	.	.			trans	-96.6	112.4	167.3	-65.8	-70.7	-25.8	0	0	109.5	Y308 V315 V442 I443	Y308-Q469 HydrophobicContact CE1-CG 4.34Å; V315-Q469 HydrophobicContact CG2-CB 4.33Å; V442-Q469 HydrophobicContact CG1-CB 3.52Å; V442-Q469 HydrophobicContact CG1-CG 3.62Å; V442-Q469 PolarHBondContact O-N 2.79Å; V442-Q469 VanDerWaalsContact O-N 3.13Å; I443-Q469 WeakPolarHBondContact CD1-O 3.13Å
470	L	93.5	Very high	91.7	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.031	17%	0.172	C	C	.	.			trans	-72	157.9	176.5	-59.7	176.4	0	0	0	110.7	L451 V463 V468 Y472 Q473 W478 V484	L451-L470 HydrophobicContact CD2-CD2 3.91Å; V463-L470 HydrophobicContact CG2-CD2 4.36Å; V468-L470 HydrophobicContact CG1-CD2 4.07Å; L470-Y472 PolarHBondContact O-N 2.94Å; L470-Q473 VanDerWaalsContact O-CB 3.25Å; L470-Q473 WeakPolarHBondContact O-CB 3.24Å; L470-Q473 PolarHBondContact O-N 3.4Å; L470-W478 HydrophobicContact CB-CD2 3.98Å; L470-W478 HydrophobicContact CB-CG 4.09Å; L470-W478 HydrophobicContact CB-CZ2 3.99Å; L470-W478 HydrophobicContact CD1-CB 3.85Å; L470-W478 HydrophobicContact CD1-CD2 3.51Å; L470-W478 HydrophobicContact CD1-CE3 3.91Å; L470-W478 HydrophobicContact CD1-CG 3.48Å; L470-W478 VanDerWaalsContact CD1-CG 3.48Å; L470-W478 HydrophobicContact CG-CD2 4.38Å; L470-W478 HydrophobicContact CG-CG 4.42Å; L470-V484 HydrophobicContact CD1-CG2 4.31Å
471	P	94.5	Very high	91.6	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.013	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	132.7	177.8	-27.6	36.1	0	0	0	112.5	V315 I443 L451 Q473 W478 F520	V315-P471 HydrophobicContact CG1-CB 4.46Å; V315-P471 HydrophobicContact CG1-CG 4.3Å; V315-P471 WeakPolarHBondContact O-CA 3.19Å; I443-P471 HydrophobicContact CD1-CG 4.45Å; L451-P471 HydrophobicContact CD2-CG 4.18Å; P471-Q473 PolarHBondContact O-N 2.99Å; P471-W478 HydrophobicContact CB-CZ2 4.46Å; P471-W478 WeakPolarHBondContact O-CZ2 3.5Å; P471-W478 PolarHBondContact O-NE1 3.33Å; P471-F520 HydrophobicContact CB-CE1 3.78Å; P471-F520 HydrophobicContact CB-CZ 4.16Å
472	Y	94.4	Very high	91.5	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.02	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	30.4	-179.8	-42.4	-58.9	0	0	0	115.5	L314 V315 V316 L470 D474 M475 L476 F520 T529 V530	L314-Y472 HydrophobicContact CD2-CD1 4.42Å; V315-Y472 WeakPolarHBondContact O-CD1 3.47Å; V315-Y472 PolarHBondContact O-N 2.93Å; V315-Y472 VanDerWaalsContact O-N 3.11Å; V316-Y472 HydrophobicContact CB-CE1 4.41Å; V316-Y472 HydrophobicContact CG1-CE1 3.9Å; L470-Y472 PolarHBondContact O-N 2.94Å; Y472-D474 PolarHBondContact O-N 2.95Å; Y472-M475 PolarHBondContact O-N 2.7Å; Y472-L476 HydrophobicContact CD2-CD1 4.15Å; Y472-L476 PolarHBondContact O-N 3.37Å; Y472-F520 HydrophobicContact CD2-CD1 4.36Å; Y472-F520 AromaticContact CD2-CE1 3.5Å; Y472-F520 HydrophobicContact CD2-CE1 3.5Å; Y472-F520 HydrophobicContact CD2-CZ 4.28Å; Y472-F520 AromaticContact CE2-CD1 3.92Å; Y472-F520 HydrophobicContact CE2-CD1 3.92Å; Y472-F520 AromaticContact CE2-CE1 3.51Å; Y472-F520 HydrophobicContact CE2-CE1 3.51Å; Y472-T529 HydrophobicContact CD1-CG2 4.13Å; Y472-T529 HydrophobicContact CD2-CG2 3.68Å; Y472-T529 HydrophobicContact CE1-CG2 3.88Å; Y472-T529 HydrophobicContact CE2-CG2 3.41Å; Y472-T529 VanDerWaalsContact CE2-CG2 3.41Å; Y472-T529 HydrophobicContact CG-CG2 4.04Å; Y472-V530 HydrophobicContact CE1-CG2 4.4Å
473	Q	92.6	Very high	91.5	Very high	75 Å²	75	36.9 Å²	36.9	35%	0.35	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-24	-175.6	176.7	164.3	-26.2	0	0	115	L470 P471 M475	L470-Q473 VanDerWaalsContact O-CB 3.25Å; L470-Q473 WeakPolarHBondContact O-CB 3.24Å; L470-Q473 PolarHBondContact O-N 3.4Å; P471-Q473 PolarHBondContact O-N 2.99Å; Q473-M475 PolarHBondContact O-N 3.45Å
474	D	89.9	Confident	91.4	Very high	61 Å²	61	40 Å²	40	33%	0.326	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.9	175.2	-66.2	-16.9	0	0	0	113.4	Y472 M533 R537	Y472-D474 PolarHBondContact O-N 2.95Å; D474-M533 HydrophobicContact CB-CE 4.38Å; D474-R537 IonicContact OD2-CZ 3.73Å; D474-R537 IonicContact OD2-NE 3.78Å; D474-R537 IonicContact OD2-NH2 3.86Å; D474-R537 PolarHBondContact OD2-NH2 3.34Å
475	M	93.4	Very high	91.5	Very high	12 Å²	12	40.3 Å²	40.3	6%	0.059	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-32.5	-173.9	-58.7	-63.3	177.6	0	0	112.6	Y472 Q473 M533 T536 R537 F600 W604 N605	Y472-M475 PolarHBondContact O-N 2.7Å; Q473-M475 PolarHBondContact O-N 3.45Å; M475-M533 HydrophobicContact CE-SD 4.18Å; M475-M533 HydrophobicContact CG-CG 4.21Å; M475-T536 HydrophobicContact CE-CG2 3.86Å; M475-T536 HydrophobicContact SD-CG2 4.12Å; M475-R537 HydrophobicContact CE-CG 3.82Å; M475-F600 HydrophobicContact SD-CD2 3.85Å; M475-F600 HydrophobicContact SD-CE2 4.04Å; M475-W604 HydrophobicContact CB-CB 4.31Å; M475-W604 HydrophobicContact CB-CD2 3.51Å; M475-W604 HydrophobicContact CB-CE3 3.58Å; M475-W604 HydrophobicContact CB-CG 3.86Å; M475-W604 HydrophobicContact CB-CZ3 4.12Å; M475-W604 HydrophobicContact CG-CD2 3.98Å; M475-W604 HydrophobicContact CG-CE3 4.23Å; M475-W604 HydrophobicContact CG-CG 4.49Å; M475-W604 HydrophobicContact CG-CH2 4.4Å; M475-W604 HydrophobicContact CG-CZ2 4.15Å; M475-W604 HydrophobicContact CG-CZ3 4.42Å; M475-N605 PolarHBondContact O-ND2 3.13Å
476	L	95.9	Very high	91.7	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.037	21%	0.209	C	C	.	.	S	Bend	trans	-90	131.5	-175.7	-58.2	-173.9	0	0	0	112.1	Y472 W478 L515 Y519 F520 W604	Y472-L476 HydrophobicContact CD2-CD1 4.15Å; Y472-L476 PolarHBondContact O-N 3.37Å; L476-W478 VanDerWaalsContact C-N 3.34Å; L476-W478 HydrophobicContact CD1-CZ2 4.3Å; L476-W478 PolarHBondContact O-N 3.05Å; L476-L515 HydrophobicContact CD1-CD2 4.24Å; L476-L515 HydrophobicContact CD2-CD2 3.87Å; L476-L515 HydrophobicContact CG-CD2 4.48Å; L476-Y519 HydrophobicContact CD1-CD2 4.15Å; L476-Y519 HydrophobicContact CD2-CD2 3.79Å; L476-Y519 HydrophobicContact CD2-CE2 3.54Å; L476-F520 HydrophobicContact CD1-CE1 4.36Å; L476-F520 HydrophobicContact CD1-CZ 3.71Å; L476-W604 HydrophobicContact CD2-CE3 3.85Å
477	Q	94.7	Very high	92.4	Very high	63 Å²	63	36.1 Å²	36.1	29%	0.294	18%	0.183	S	C	.	.			trans	-82.2	78.1	174.9	-70.3	-177.3	-86.6	0	0	110.3	N479 E480 N605	Q477-N479 WeakPolarHBondContact CB-OD1 3.4Å; Q477-N479 PolarHBondContact O-N 2.75Å; Q477-N479 PolarHBondContact O-OD1 3.5Å; Q477-E480 HydrophobicContact CB-CG 4.32Å; Q477-E480 PolarHBondContact O-N 2.98Å; Q477-N605 PolarHBondContact N-OD1 2.82Å
478	W	94.8	Very high	93	Very high	13 Å²	13	35 Å²	35	5%	0.049	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-60.6	-25.7	-178.2	-79.6	106.6	0	0	0	114.3	L451 L455 L470 P471 L476 E480 A481 A482 L515 F520	L451-W478 HydrophobicContact CD1-CH2 4.23Å; L451-W478 HydrophobicContact CD1-CZ3 3.95Å; L451-W478 HydrophobicContact CD2-CH2 3.64Å; L451-W478 HydrophobicContact CD2-CZ2 4.1Å; L451-W478 HydrophobicContact CD2-CZ3 4.18Å; L451-W478 HydrophobicContact CG-CH2 4.14Å; L451-W478 HydrophobicContact CG-CZ3 4.36Å; L455-W478 HydrophobicContact CD1-CH2 3.93Å; L455-W478 HydrophobicContact CD1-CZ3 3.98Å; L470-W478 HydrophobicContact CB-CD2 3.98Å; L470-W478 HydrophobicContact CB-CG 4.09Å; L470-W478 HydrophobicContact CB-CZ2 3.99Å; L470-W478 HydrophobicContact CD1-CB 3.85Å; L470-W478 HydrophobicContact CD1-CD2 3.51Å; L470-W478 HydrophobicContact CD1-CE3 3.91Å; L470-W478 HydrophobicContact CD1-CG 3.48Å; L470-W478 VanDerWaalsContact CD1-CG 3.48Å; L470-W478 HydrophobicContact CG-CD2 4.38Å; L470-W478 HydrophobicContact CG-CG 4.42Å; P471-W478 HydrophobicContact CB-CZ2 4.46Å; P471-W478 WeakPolarHBondContact O-CZ2 3.5Å; P471-W478 PolarHBondContact O-NE1 3.33Å; L476-W478 VanDerWaalsContact C-N 3.34Å; L476-W478 HydrophobicContact CD1-CZ2 4.3Å; L476-W478 PolarHBondContact O-N 3.05Å; W478-E480 PolarHBondContact O-N 2.86Å; W478-A481 HydrophobicContact CE3-CB 4.47Å; W478-A481 PolarHBondContact O-N 3.04Å; W478-A482 HydrophobicContact CE3-CB 4.16Å; W478-A482 PolarHBondContact O-N 2.83Å; W478-A482 VanDerWaalsContact O-O 3.11Å; W478-L515 HydrophobicContact CE3-CD1 4.37Å; W478-L515 HydrophobicContact CZ3-CD1 4.28Å; W478-F520 AromaticContact CH2-CE2 3.66Å; W478-F520 HydrophobicContact CH2-CE2 3.66Å; W478-F520 AromaticContact CH2-CZ 3.78Å; W478-F520 HydrophobicContact CH2-CZ 3.78Å; W478-F520 HydrophobicContact CZ2-CE2 4.06Å; W478-F520 AromaticContact CZ2-CZ 3.67Å; W478-F520 HydrophobicContact CZ2-CZ 3.67Å
479	N	94.1	Very high	93.4	Very high	117 Å²	117	39.6 Å²	39.6	63%	0.626	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-62.3	-20.1	174.6	62.7	-38.7	0	0	0	113.6	Q477	Q477-N479 WeakPolarHBondContact CB-OD1 3.4Å; Q477-N479 PolarHBondContact O-N 2.75Å; Q477-N479 PolarHBondContact O-OD1 3.5Å
480	E	95.6	Very high	93.5	Very high	79 Å²	79	36.9 Å²	36.9	37%	0.369	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-87.8	-12	175.1	-64.1	-177.2	-174.1	0	0	112.9	Q477 W478 M508 Q511	Q477-E480 HydrophobicContact CB-CG 4.32Å; Q477-E480 PolarHBondContact O-N 2.98Å; W478-E480 PolarHBondContact O-N 2.86Å; E480-M508 VanDerWaalsContact O-CA 3.24Å; E480-M508 WeakPolarHBondContact O-CA 3.48Å; E480-M508 WeakPolarHBondContact O-CG 3.44Å; E480-Q511 HydrophobicContact CB-CB 4.48Å; E480-Q511 HydrophobicContact CB-CG 3.87Å; E480-Q511 WeakPolarHBondContact O-CB 3.32Å
481	A	96.7	Very high	93.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-22.4	-175.8	0	0	0	0	0	114.3	P461 W478 Q511 L515	P461-A481 WeakPolarHBondContact CD-O 3.46Å; W478-A481 HydrophobicContact CE3-CB 4.47Å; W478-A481 PolarHBondContact O-N 3.04Å; A481-Q511 HydrophobicContact CB-CB 4.22Å; A481-Q511 HydrophobicContact CB-CG 3.99Å; A481-L515 HydrophobicContact CB-CD1 3.67Å
482	A	96.6	Very high	93.4	Very high	2 Å²	2	44.1 Å²	44.1	2%	0.017	23%	0.227	C	C	.	.			trans	-143.7	157.7	-174.9	0	0	0	0	0	111.4	P461 W478	P461-A482 HydrophobicContact CB-CB 4Å; P461-A482 HydrophobicContact CG-CB 4.27Å; P461-A482 WeakPolarHBondContact O-CA 3.33Å; W478-A482 HydrophobicContact CE3-CB 4.16Å; W478-A482 PolarHBondContact O-N 2.83Å; W478-A482 VanDerWaalsContact O-O 3.11Å
483	L	96.1	Very high	93.4	Very high	32 Å²	32	44 Å²	44	17%	0.168	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.2	172.6	-59.9	174.8	0	0	0	109.2	F430 P461 V462 V463 L497 L500 M508	F430-L483 HydrophobicContact CE1-CD1 4.19Å; P461-L483 PolarHBondContact O-N 2.8Å; V462-L483 CarbonylContact C-O 3.56Å; V462-L483 WeakPolarHBondContact CA-O 3.27Å; V462-L483 HydrophobicContact CG1-CB 4.47Å; V462-L483 HydrophobicContact CG2-CB 4.39Å; V462-L483 HydrophobicContact CG2-CD1 4.31Å; V463-L483 PolarHBondContact N-O 3.16Å; L483-L497 HydrophobicContact CD1-CD2 3.53Å; L483-L500 HydrophobicContact CD1-CD1 3.66Å; L483-M508 HydrophobicContact CD2-CE 3.76Å; L483-M508 HydrophobicContact CD2-SD 4.29Å; L483-M508 HydrophobicContact CG-CE 3.93Å
484	V	94.5	Very high	93.5	Very high	66 Å²	66	41.9 Å²	41.9	40%	0.4	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	121.1	173.2	-174.8	0	0	0	0	108.1	V463 L470	V463-V484 HydrophobicContact CB-CG2 4.32Å; L470-V484 HydrophobicContact CD1-CG2 4.31Å
485	V	93.6	Very high	93.8	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.042	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.8	-175.1	-178.1	0	0	0	0	109.4	V463 L464 G465 R489 V493 L496	V463-V485 PolarHBondContact O-N 3.04Å; L464-V485 CarbonylContact C-O 3.51Å; L464-V485 WeakPolarHBondContact CA-O 3.46Å; L464-V485 HydrophobicContact CD2-CB 3.99Å; L464-V485 HydrophobicContact CD2-CG1 4.32Å; G465-V485 PolarHBondContact N-O 3.16Å; V485-R489 HydrophobicContact CG1-CB 3.87Å; V485-V493 HydrophobicContact CG1-CG2 4.14Å; V485-L496 HydrophobicContact CG2-CD2 3.86Å
486	P	91.3	Very high	93.9	Very high	26 Å²	26	48.1 Å²	48.1	17%	0.169	24%	0.243	C	C	.	.			trans	-60.1	139.8	175	1.8	-5.7	0	0	0	112.2	E466 P488 R489	E466-P486 HydrophobicContact CG-CB 3.97Å; E466-P486 HydrophobicContact CG-CG 4.06Å; E466-P486 VanDerWaalsContact OE1-CD 3.27Å; E466-P486 WeakPolarHBondContact OE1-CD 3.4Å; E466-P486 WeakPolarHBondContact OE1-CG 3.41Å; P486-P488 VanDerWaalsContact C-CD 3.44Å; P486-P488 VanDerWaalsContact C-N 3.3Å; P486-R489 HydrophobicContact CG-CG 4.22Å; P486-R489 PolarHBondContact O-N 2.83Å
487	K	88.7	Confident	93.9	Very high	18 Å²	18	48.1 Å²	48.1	8%	0.078	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-48.6	-42.6	177.3	-70.8	-172.4	177.1	-169	0	113.5	D376 I379 T435 P436 R489 V490	D376-K487 IonicContact OD1-NZ 3.83Å; I379-K487 HydrophobicContact CD1-CB 4.31Å; I379-K487 HydrophobicContact CD1-CD 4.24Å; I379-K487 HydrophobicContact CD1-CG 4.27Å; T435-K487 WeakPolarHBondContact O-CE 3.18Å; T435-K487 PolarHBondContact O-NZ 2.76Å; T435-K487 WeakPolarHBondContact OG1-CE 3.38Å; P436-K487 PolarHBondContact O-NZ 2.73Å; K487-R489 PolarHBondContact O-N 2.81Å; K487-R489 VanDerWaalsContact O-N 3.14Å; K487-V490 WeakPolarHBondContact O-CB 3.31Å; K487-V490 PolarHBondContact O-N 2.94Å; K487-V490 VanDerWaalsContact O-N 3.16Å
488	P	89	Confident	93.9	Very high	71 Å²	71	51.5 Å²	51.5	46%	0.461	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-59.1	-23.6	177.3	-27.9	36.2	0	0	0	115.7	Y375 P486 V490	Y375-P488 HydrophobicContact CE1-CG 4.06Å; P486-P488 VanDerWaalsContact C-CD 3.44Å; P486-P488 VanDerWaalsContact C-N 3.3Å; P488-V490 VanDerWaalsContact C-N 3.27Å; P488-V490 PolarHBondContact O-N 2.68Å
489	R	91.6	Very high	94	Very high	108 Å²	108	54.3 Å²	54.3	41%	0.408	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-87.8	13.2	179.7	-66.7	-174	70.6	-165.8	-0.6	113.4	V485 P486 K487 T491 E492 V493	V485-R489 HydrophobicContact CG1-CB 3.87Å; P486-R489 HydrophobicContact CG-CG 4.22Å; P486-R489 PolarHBondContact O-N 2.83Å; K487-R489 PolarHBondContact O-N 2.81Å; K487-R489 VanDerWaalsContact O-N 3.14Å; R489-T491 PolarHBondContact O-N 2.84Å; R489-T491 VanDerWaalsContact O-N 3.08Å; R489-E492 IonicContact CZ-OE2 2.74Å; R489-E492 IonicContact NE-OE1 2.63Å; R489-E492 IonicContact NE-OE2 3.81Å; R489-E492 PolarHBondContact NE-OE2 3.48Å; R489-E492 IonicContact NH2-OE2 3.49Å; R489-E492 PolarHBondContact NH2-OE2 3.46Å; R489-E492 WeakPolarHBondContact O-CB 3.44Å; R489-E492 PolarHBondContact O-N 3Å; R489-V493 PolarHBondContact O-N 2.61Å
490	V	91.9	Very high	94.1	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.03	25%	0.253	C	S	.	.	H	α-helix	trans	-51.7	-34.5	179.7	65.2	0	0	0	0	113.3	I379 T382 L383 L464 K487 P488 E492 V493	I379-V490 HydrophobicContact CB-CG2 4.38Å; I379-V490 HydrophobicContact CG1-CB 4.14Å; I379-V490 HydrophobicContact CG1-CG1 4.09Å; I379-V490 HydrophobicContact CG1-CG2 4.07Å; I379-V490 HydrophobicContact CG2-CG2 4.2Å; T382-V490 HydrophobicContact CG2-CG1 4.33Å; T382-V490 HydrophobicContact CG2-CG2 4.26Å; L383-V490 HydrophobicContact CD2-CG2 4.22Å; L383-V490 HydrophobicContact CG-CG2 4.28Å; L464-V490 HydrophobicContact CD1-CG2 4.25Å; K487-V490 WeakPolarHBondContact O-CB 3.31Å; K487-V490 PolarHBondContact O-N 2.94Å; K487-V490 VanDerWaalsContact O-N 3.16Å; P488-V490 VanDerWaalsContact C-N 3.27Å; P488-V490 PolarHBondContact O-N 2.68Å; V490-E492 PolarHBondContact O-N 3.37Å; V490-V493 WeakPolarHBondContact O-CB 3.31Å; V490-V493 PolarHBondContact O-N 3.09Å
491	T	92.5	Very high	94.1	Very high	76 Å²	76	48.6 Å²	48.6	47%	0.466	25%	0.249	S	C	.	.	H	α-helix	trans	-66.1	-21.7	177.8	51.7	0	0	0	0	113.8	T382 R489	T382-T491 HydrophobicContact CG2-CG2 3.86Å; R489-T491 PolarHBondContact O-N 2.84Å; R489-T491 VanDerWaalsContact O-N 3.08Å
492	E	94.2	Very high	94.1	Very high	84 Å²	84	52.4 Å²	52.4	39%	0.393	27%	0.27	S	S	.	.	H	α-helix	trans	-96.1	-11.9	-179.1	-62.3	169.8	-142.6	0	0	112.7	R489 V490 H494 F495 L496	R489-E492 IonicContact CZ-OE2 2.74Å; R489-E492 IonicContact NE-OE1 2.63Å; R489-E492 IonicContact NE-OE2 3.81Å; R489-E492 PolarHBondContact NE-OE2 3.48Å; R489-E492 IonicContact NH2-OE2 3.49Å; R489-E492 PolarHBondContact NH2-OE2 3.46Å; R489-E492 WeakPolarHBondContact O-CB 3.44Å; R489-E492 PolarHBondContact O-N 3Å; V490-E492 PolarHBondContact O-N 3.37Å; E492-H494 PolarHBondContact O-N 2.97Å; E492-F495 PolarHBondContact O-N 3.11Å; E492-L496 WeakPolarHBondContact O-CB 3.29Å; E492-L496 PolarHBondContact O-N 3.29Å
493	V	94.1	Very high	94.1	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.012	30%	0.296	C	S	.	.	H	α-helix	trans	-58.8	-46.2	-173.7	172.6	0	0	0	0	111.2	V462 L464 V485 R489 V490 F495 L496 L497	V462-V493 HydrophobicContact CG1-CG1 4.45Å; L464-V493 HydrophobicContact CD2-CG2 3.8Å; V485-V493 HydrophobicContact CG1-CG2 4.14Å; R489-V493 PolarHBondContact O-N 2.61Å; V490-V493 WeakPolarHBondContact O-CB 3.31Å; V490-V493 PolarHBondContact O-N 3.09Å; V493-F495 VanDerWaalsContact C-N 3.31Å; V493-F495 PolarHBondContact O-N 3.08Å; V493-L496 PolarHBondContact O-N 3.34Å; V493-L497 HydrophobicContact CG1-CD1 3.81Å; V493-L497 HydrophobicContact CG1-CG 4.09Å; V493-L497 VanDerWaalsContact O-CG 3.27Å; V493-L497 WeakPolarHBondContact O-CG 3.16Å; V493-L497 PolarHBondContact O-N 3.43Å
494	H	95.4	Very high	94.1	Very high	31 Å²	31	58.6 Å²	58.6	14%	0.144	31%	0.309	C	S	.	.	H	α-helix	trans	-58.4	-42.8	179.5	178.3	-112.4	0	0	0	112.3	V386 D392 E492 R498	V386-H494 HydrophobicContact CG1-CB 4.08Å; V386-H494 HydrophobicContact CG2-CB 4.11Å; D392-H494 IonicContact OD2-CD2 3.33Å; D392-H494 IonicContact OD2-CE1 2.87Å; D392-H494 PolarHBondContact OD2-CE1 3.29Å; D392-H494 IonicContact OD2-NE2 3.09Å; D392-H494 PolarHBondContact OD2-NE2 2.65Å; E492-H494 PolarHBondContact O-N 2.97Å; H494-R498 WeakPolarHBondContact O-CG 3.21Å; H494-R498 PolarHBondContact O-N 3.26Å
495	F	95.1	Very high	94.2	Very high	154 Å²	154	55.6 Å²	55.6	68%	0.675	29%	0.291	S	S	*	.	H	α-helix	trans	-65.9	-46.8	175.2	172.4	-96.7	0	0	0	112	E492 V493 L497 R498 S499	E492-F495 PolarHBondContact O-N 3.11Å; V493-F495 VanDerWaalsContact C-N 3.31Å; V493-F495 PolarHBondContact O-N 3.08Å; F495-L497 PolarHBondContact O-N 2.78Å; F495-R498 PolarHBondContact O-N 3.15Å; F495-S499 PolarHBondContact O-N 3.09Å; F495-S499 VanDerWaalsContact O-N 3.15Å
496	L	95.9	Very high	94.3	Very high	50 Å²	50	56.8 Å²	56.8	26%	0.262	30%	0.297	S	S	.	.	H	α-helix	trans	-57.7	-47.8	-179.8	179.1	65.6	0	0	0	111.5	V485 E492 V493 R498 S499	V485-L496 HydrophobicContact CG2-CD2 3.86Å; E492-L496 WeakPolarHBondContact O-CB 3.29Å; E492-L496 PolarHBondContact O-N 3.29Å; V493-L496 PolarHBondContact O-N 3.34Å; L496-R498 VanDerWaalsContact C-N 3.28Å; L496-R498 PolarHBondContact O-N 3.43Å; L496-S499 WeakPolarHBondContact O-CB 3.3Å; L496-S499 PolarHBondContact O-N 2.58Å; L496-S499 VanDerWaalsContact O-N 3.08Å; L496-S499 PolarHBondContact O-OG 3.2Å
497	L	96.4	Very high	94.5	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-64.8	-32.4	-178.7	-63.3	-178.4	0	0	0	112.6	L342 F343 F430 V462 L483 V493 F495 S499	L342-L497 HydrophobicContact CD1-CB 4.47Å; F343-L497 HydrophobicContact CB-CD1 4.16Å; F343-L497 HydrophobicContact CD1-CD1 3.71Å; F343-L497 HydrophobicContact CE1-CD1 4.47Å; F343-L497 HydrophobicContact CG-CD1 4.2Å; F430-L497 HydrophobicContact CB-CD1 4.34Å; F430-L497 HydrophobicContact CD1-CD2 3.83Å; F430-L497 HydrophobicContact CD2-CB 4.11Å; F430-L497 HydrophobicContact CD2-CD1 3.95Å; F430-L497 HydrophobicContact CD2-CD2 4.06Å; F430-L497 HydrophobicContact CD2-CG 4.25Å; F430-L497 HydrophobicContact CE1-CD2 3.83Å; F430-L497 HydrophobicContact CE2-CB 3.85Å; F430-L497 HydrophobicContact CE2-CD2 4.07Å; F430-L497 HydrophobicContact CE2-CG 4.34Å; F430-L497 HydrophobicContact CG-CD1 4.13Å; F430-L497 HydrophobicContact CG-CD2 3.96Å; F430-L497 HydrophobicContact CZ-CB 4.33Å; F430-L497 HydrophobicContact CZ-CD2 3.96Å; V462-L497 HydrophobicContact CG1-CD2 4.5Å; V462-L497 HydrophobicContact CG2-CD1 4.42Å; V462-L497 HydrophobicContact CG2-CD2 3.73Å; L483-L497 HydrophobicContact CD1-CD2 3.53Å; V493-L497 HydrophobicContact CG1-CD1 3.81Å; V493-L497 HydrophobicContact CG1-CG 4.09Å; V493-L497 VanDerWaalsContact O-CG 3.27Å; V493-L497 WeakPolarHBondContact O-CG 3.16Å; V493-L497 PolarHBondContact O-N 3.43Å; F495-L497 PolarHBondContact O-N 2.78Å; L497-S499 VanDerWaalsContact C-N 3.31Å
498	R	94.6	Very high	94.9	Very high	135 Å²	135	57.4 Å²	57.4	51%	0.509	31%	0.305	S	S	.	.	H	α-helix	trans	-73.5	-22.5	174.9	-72	174.6	63.8	110.7	1.4	113.5	L342 D392 H494 F495 L496 L500	L342-R498 HydrophobicContact CD2-CG 4.17Å; D392-R498 IonicContact OD1-NH1 2.81Å; D392-R498 PolarHBondContact OD1-NH1 2.99Å; D392-R498 VanDerWaalsContact OD1-NH1 3.08Å; D392-R498 WeakPolarHBondContact OD2-CD 3.2Å; D392-R498 IonicContact OD2-CZ 3.35Å; D392-R498 IonicContact OD2-NE 3.73Å; D392-R498 IonicContact OD2-NH1 2.78Å; D392-R498 PolarHBondContact OD2-NH1 2.98Å; H494-R498 WeakPolarHBondContact O-CG 3.21Å; H494-R498 PolarHBondContact O-N 3.26Å; F495-R498 PolarHBondContact O-N 3.15Å; L496-R498 VanDerWaalsContact C-N 3.28Å; L496-R498 PolarHBondContact O-N 3.43Å; R498-L500 VanDerWaalsContact C-N 3.31Å
499	S	95.8	Very high	95.2	Very high	72 Å²	72	54.1 Å²	54.1	50%	0.503	28%	0.283	S	S	.	.	H	α-helix	trans	-77.2	-17	-178.6	75.6	0	0	0	0	113.7	F495 L496 L497	F495-S499 PolarHBondContact O-N 3.09Å; F495-S499 VanDerWaalsContact O-N 3.15Å; L496-S499 WeakPolarHBondContact O-CB 3.3Å; L496-S499 PolarHBondContact O-N 2.58Å; L496-S499 VanDerWaalsContact O-N 3.08Å; L496-S499 PolarHBondContact O-OG 3.2Å; L497-S499 VanDerWaalsContact C-N 3.31Å
500	L	96.3	Very high	95.4	Very high	34 Å²	34	52.1 Å²	52.1	18%	0.178	28%	0.276	C	S	.	.	S	Bend	trans	-72.1	134.1	-179.6	-65.9	175.9	0	0	0	111.8	F430 L483 R498	F430-L500 HydrophobicContact CE1-CD1 3.8Å; F430-L500 HydrophobicContact CZ-CD1 3.64Å; L483-L500 HydrophobicContact CD1-CD1 3.66Å; R498-L500 VanDerWaalsContact C-N 3.31Å
501	S	96.8	Very high	95.6	Very high	41 Å²	41	53.1 Å²	53.1	29%	0.287	28%	0.28	S	S	.	.			trans	-73.8	157.9	175.6	76.8	0	0	0	0	111.4	S503 D504 L505	S501-S503 PolarHBondContact O-N 2.83Å; S501-S503 PolarHBondContact OG-OG 3.14Å; S501-D504 WeakPolarHBondContact CB-OD2 3.33Å; S501-D504 PolarHBondContact O-N 3.2Å; S501-D504 PolarHBondContact OG-N 2.65Å; S501-D504 VanDerWaalsContact OG-N 3.11Å; S501-D504 PolarHBondContact OG-OD2 2.73Å; S501-L505 WeakPolarHBondContact O-CB 3Å; S501-L505 PolarHBondContact O-N 3.13Å
502	D	96.1	Very high	95.8	Very high	80 Å²	80	49.7 Å²	49.7	43%	0.428	26%	0.26	S	S	.	.	H	α-helix	trans	-64.9	-29.9	176.8	-66.5	-13.1	0	0	0	111.8	V337 K338 L506	V337-D502 HydrophobicContact CB-CB 4.48Å; V337-D502 HydrophobicContact CG1-CB 4.23Å; V337-D502 VanDerWaalsContact CG1-O 3.31Å; V337-D502 WeakPolarHBondContact CG1-O 3.44Å; K338-D502 WeakPolarHBondContact CE-OD1 3.42Å; K338-D502 IonicContact NZ-OD1 2.96Å; K338-D502 PolarHBondContact NZ-OD1 3.36Å; D502-L506 WeakPolarHBondContact O-CB 3.34Å; D502-L506 PolarHBondContact O-N 2.79Å
503	S	95.4	Very high	95.7	Very high	81 Å²	81	46.3 Å²	46.3	57%	0.566	24%	0.244	S	C	*	.	H	α-helix	trans	-67.6	-43.7	174.7	40.6	0	0	0	0	112.5	S501 L506 A507	S501-S503 PolarHBondContact O-N 2.83Å; S501-S503 PolarHBondContact OG-OG 3.14Å; S503-L506 PolarHBondContact O-N 2.86Å; S503-A507 WeakPolarHBondContact O-CB 3.1Å; S503-A507 PolarHBondContact O-N 2.82Å
504	D	96.4	Very high	95.8	Very high	83 Å²	83	47.3 Å²	47.3	44%	0.444	25%	0.248	S	C	.	.	H	α-helix	trans	-66.6	-45.2	178.4	-59.2	-35.5	0	0	0	109.8	S501 L506 A507 M508	S501-D504 WeakPolarHBondContact CB-OD2 3.33Å; S501-D504 PolarHBondContact O-N 3.2Å; S501-D504 PolarHBondContact OG-N 2.65Å; S501-D504 VanDerWaalsContact OG-N 3.11Å; S501-D504 PolarHBondContact OG-OD2 2.73Å; D504-L506 VanDerWaalsContact C-N 3.33Å; D504-L506 PolarHBondContact O-N 3.34Å; D504-A507 WeakPolarHBondContact O-CB 3.35Å; D504-A507 PolarHBondContact O-N 2.71Å; D504-A507 VanDerWaalsContact O-N 3.09Å; D504-M508 WeakPolarHBondContact O-CG 3.07Å; D504-M508 PolarHBondContact O-N 3.01Å
505	L	96.5	Very high	95.8	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-60.9	-41.4	179	-176.1	62.6	0	0	0	112	V337 K338 T429 F430 V460 S501 M508 R509	V337-L505 HydrophobicContact CG1-CB 3.64Å; V337-L505 HydrophobicContact CG1-CD2 3.42Å; V337-L505 VanDerWaalsContact CG1-CD2 3.42Å; V337-L505 HydrophobicContact CG1-CG 3.55Å; K338-L505 HydrophobicContact CG-CD2 4.15Å; T429-L505 HydrophobicContact CG2-CD1 4.07Å; T429-L505 HydrophobicContact CG2-CD2 3.42Å; T429-L505 VanDerWaalsContact CG2-CD2 3.42Å; T429-L505 HydrophobicContact CG2-CG 4.28Å; F430-L505 HydrophobicContact CE1-CD1 3.66Å; F430-L505 HydrophobicContact CE2-CD1 4.39Å; F430-L505 HydrophobicContact CZ-CD1 3.57Å; V460-L505 HydrophobicContact CB-CD1 4.31Å; V460-L505 HydrophobicContact CG2-CD1 3.71Å; S501-L505 WeakPolarHBondContact O-CB 3Å; S501-L505 PolarHBondContact O-N 3.13Å; L505-M508 PolarHBondContact O-N 2.85Å; L505-R509 WeakPolarHBondContact O-CG 3.02Å; L505-R509 PolarHBondContact O-N 2.84Å
506	L	95.4	Very high	95.8	Very high	33 Å²	33	38.5 Å²	38.5	17%	0.173	21%	0.209	C	C	.	.	H	α-helix	trans	-67.9	-36.8	174.6	-176.3	60.1	0	0	0	112	Q334 V335 V337 D502 S503 D504 R509 R510	Q334-L506 HydrophobicContact CB-CD1 4.06Å; V335-L506 HydrophobicContact CG1-CD1 4.35Å; V337-L506 HydrophobicContact CG1-CB 4.29Å; V337-L506 HydrophobicContact CG2-CB 4.09Å; V337-L506 HydrophobicContact CG2-CD1 4.4Å; V337-L506 HydrophobicContact CG2-CD2 4.46Å; D502-L506 WeakPolarHBondContact O-CB 3.34Å; D502-L506 PolarHBondContact O-N 2.79Å; S503-L506 PolarHBondContact O-N 2.86Å; D504-L506 VanDerWaalsContact C-N 3.33Å; D504-L506 PolarHBondContact O-N 3.34Å; L506-R509 PolarHBondContact O-N 3Å; L506-R510 WeakPolarHBondContact O-CG 3.29Å; L506-R510 PolarHBondContact O-N 2.04Å
507	A	95.8	Very high	95.6	Very high	41 Å²	41	38.9 Å²	38.9	34%	0.339	21%	0.209	S	C	.	.	H	α-helix	trans	-62.1	-44.8	173.8	0	0	0	0	0	111	S503 D504 R509 R510 Q511	S503-A507 WeakPolarHBondContact O-CB 3.1Å; S503-A507 PolarHBondContact O-N 2.82Å; D504-A507 WeakPolarHBondContact O-CB 3.35Å; D504-A507 PolarHBondContact O-N 2.71Å; D504-A507 VanDerWaalsContact O-N 3.09Å; A507-R509 PolarHBondContact O-N 3.16Å; A507-R510 PolarHBondContact O-N 3.08Å; A507-Q511 PolarHBondContact O-N 3.35Å
508	M	97.2	Very high	95.4	Very high	15 Å²	15	39.6 Å²	39.6	7%	0.074	21%	0.214	C	C	.	.	H	α-helix	trans	-62.5	-41.3	177.1	-65.6	-174.9	81.9	0	0	112.9	V460 E480 L483 D504 L505 Q511 G512	V460-M508 HydrophobicContact CG1-CB 4.31Å; V460-M508 HydrophobicContact CG1-CE 3.74Å; V460-M508 HydrophobicContact CG1-SD 4.14Å; V460-M508 HydrophobicContact CG2-CB 3.98Å; E480-M508 VanDerWaalsContact O-CA 3.24Å; E480-M508 WeakPolarHBondContact O-CA 3.48Å; E480-M508 WeakPolarHBondContact O-CG 3.44Å; L483-M508 HydrophobicContact CD2-CE 3.76Å; L483-M508 HydrophobicContact CD2-SD 4.29Å; L483-M508 HydrophobicContact CG-CE 3.93Å; D504-M508 WeakPolarHBondContact O-CG 3.07Å; D504-M508 PolarHBondContact O-N 3.01Å; L505-M508 PolarHBondContact O-N 2.85Å; M508-Q511 PolarHBondContact O-N 3.33Å; M508-G512 PolarHBondContact O-N 2.75Å
509	R	95.8	Very high	95.4	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.011	19%	0.19	C	C	.	.	H	α-helix	trans	-62.3	-44.1	174.3	-76.1	-173.3	167.6	179	6.1	112.9	Q334 P336 V337 R339 G458 V460 L505 L506 A507 Q511 G512 R513	Q334-R509 PolarHBondContact O-NH1 3.45Å; P336-R509 PolarHBondContact O-NH1 3.13Å; V337-R509 PolarHBondContact O-NH1 3.25Å; V337-R509 PolarHBondContact O-NH2 3.11Å; R339-R509 VanDerWaalsContact CD-NH2 3.33Å; G458-R509 WeakPolarHBondContact O-CD 3.42Å; G458-R509 WeakPolarHBondContact O-CG 3.49Å; G458-R509 PolarHBondContact O-NE 2.88Å; V460-R509 HydrophobicContact CG2-CG 3.74Å; L505-R509 WeakPolarHBondContact O-CG 3.02Å; L505-R509 PolarHBondContact O-N 2.84Å; L506-R509 PolarHBondContact O-N 3Å; A507-R509 PolarHBondContact O-N 3.16Å; R509-Q511 VanDerWaalsContact C-N 3.34Å; R509-G512 PolarHBondContact O-N 3.48Å; R509-R513 VanDerWaalsContact O-CB 3.3Å; R509-R513 WeakPolarHBondContact O-CB 3.45Å; R509-R513 PolarHBondContact O-N 3.27Å
510	R	95	Very high	95.3	Very high	65 Å²	65	30 Å²	30	25%	0.245	17%	0.166	C	C	.	.	H	α-helix	trans	-61.9	-44.4	176.1	-77.9	-172.7	-56.7	-141	-0.1	111.3	L506 A507 R513 F514	L506-R510 WeakPolarHBondContact O-CG 3.29Å; L506-R510 PolarHBondContact O-N 2.04Å; A507-R510 PolarHBondContact O-N 3.08Å; R510-R513 WeakPolarHBondContact O-CB 3.42Å; R510-R513 PolarHBondContact O-N 2.95Å; R510-F514 WeakPolarHBondContact O-CB 3.39Å; R510-F514 PolarHBondContact O-N 3.47Å
511	Q	96.6	Very high	94.9	Very high	27 Å²	27	28.7 Å²	28.7	13%	0.126	16%	0.16	C	C	.	.	H	α-helix	trans	-64.4	-47.1	178.2	-169.5	64.8	5.2	0	0	110.8	E480 A481 A507 M508 R509 R513 F514 L515 N605	E480-Q511 HydrophobicContact CB-CB 4.48Å; E480-Q511 HydrophobicContact CB-CG 3.87Å; E480-Q511 WeakPolarHBondContact O-CB 3.32Å; A481-Q511 HydrophobicContact CB-CB 4.22Å; A481-Q511 HydrophobicContact CB-CG 3.99Å; A507-Q511 PolarHBondContact O-N 3.35Å; M508-Q511 PolarHBondContact O-N 3.33Å; R509-Q511 VanDerWaalsContact C-N 3.34Å; Q511-R513 VanDerWaalsContact C-N 3.27Å; Q511-R513 PolarHBondContact O-N 2.02Å; Q511-F514 WeakPolarHBondContact O-CB 3.23Å; Q511-F514 PolarHBondContact O-N 3.23Å; Q511-L515 HydrophobicContact CG-CG 4.44Å; Q511-L515 WeakPolarHBondContact O-CG 3.3Å; Q511-L515 PolarHBondContact O-N 3.4Å; Q511-N605 PolarHBondContact NE2-O 2.69Å
512	G	95.9	Very high	94.5	Very high	4 Å²	4	27.5 Å²	27.5	4%	0.041	15%	0.151	C	C	.	.	H	α-helix	trans	-58.1	-39.7	176	0	0	0	0	0	112.9	M508 R509 L515 W516	M508-G512 PolarHBondContact O-N 2.75Å; R509-G512 PolarHBondContact O-N 3.48Å; G512-L515 PolarHBondContact O-N 3.14Å; G512-W516 WeakPolarHBondContact O-CB 3.34Å; G512-W516 PolarHBondContact O-N 3.26Å
513	R	93.6	Very high	94.2	Very high	13 Å²	13	24 Å²	24	5%	0.049	13%	0.134	C	C	.	.	H	α-helix	trans	-62.1	-49.8	174	-179.3	62.2	-179.4	178.8	8.7	112	I331 E456 R509 R510 Q511 L515 W516 E517	I331-R513 VanDerWaalsContact CG1-NH1 3.32Å; E456-R513 PolarHBondContact O-NH1 3.08Å; R509-R513 VanDerWaalsContact O-CB 3.3Å; R509-R513 WeakPolarHBondContact O-CB 3.45Å; R509-R513 PolarHBondContact O-N 3.27Å; R510-R513 WeakPolarHBondContact O-CB 3.42Å; R510-R513 PolarHBondContact O-N 2.95Å; Q511-R513 VanDerWaalsContact C-N 3.27Å; Q511-R513 PolarHBondContact O-N 2.02Å; R513-L515 PolarHBondContact O-N 2.88Å; R513-W516 VanDerWaalsContact CZ-CZ3 3.43Å; R513-W516 PolarHBondContact O-N 2.84Å; R513-E517 HydrophobicContact CG-CG 4.48Å; R513-E517 IonicContact CZ-OE1 3.71Å; R513-E517 VanDerWaalsContact NE-CD 3.28Å; R513-E517 IonicContact NE-OE1 2.78Å; R513-E517 PolarHBondContact NE-OE1 3.31Å; R513-E517 IonicContact NE-OE2 3.72Å; R513-E517 IonicContact NH2-OE1 3.44Å; R513-E517 PolarHBondContact NH2-OE1 3.1Å; R513-E517 WeakPolarHBondContact O-CG 3.18Å; R513-E517 PolarHBondContact O-N 3.39Å
514	F	95	Very high	94	Very high	22 Å²	22	23.3 Å²	23.3	10%	0.096	12%	0.124	C	C	.	.	H	α-helix	trans	-57.2	-48.1	176.4	163.8	-108.9	0	0	0	111.5	R510 Q511 W516 E517 T518 Y519 S606 A607	R510-F514 WeakPolarHBondContact O-CB 3.39Å; R510-F514 PolarHBondContact O-N 3.47Å; Q511-F514 WeakPolarHBondContact O-CB 3.23Å; Q511-F514 PolarHBondContact O-N 3.23Å; F514-W516 VanDerWaalsContact C-N 3.31Å; F514-W516 PolarHBondContact O-N 2.88Å; F514-E517 PolarHBondContact O-N 2.79Å; F514-T518 WeakPolarHBondContact CD2-OG1 3.49Å; F514-T518 HydrophobicContact CE2-CG2 3.95Å; F514-T518 WeakPolarHBondContact CE2-OG1 3.25Å; F514-T518 HydrophobicContact CZ-CG2 4.14Å; F514-T518 WeakPolarHBondContact O-CB 3.35Å; F514-T518 PolarHBondContact O-N 3.49Å; F514-T518 PolarHBondContact O-OG1 2.83Å; F514-Y519 HydrophobicContact CE1-CE2 4.06Å; F514-Y519 HydrophobicContact CZ-CE2 4.18Å; F514-S606 VanDerWaalsContact CZ-C 3.43Å; F514-A607 HydrophobicContact CD2-CB 4.11Å; F514-A607 VanDerWaalsContact CE2-CA 3.49Å; F514-A607 HydrophobicContact CE2-CB 3.89Å
515	L	96.2	Very high	93.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.6	-42.5	179.4	-66.2	-175.3	0	0	0	111.6	L476 W478 A481 Q511 G512 R513 Y519 F520	L476-L515 HydrophobicContact CD1-CD2 4.24Å; L476-L515 HydrophobicContact CD2-CD2 3.87Å; L476-L515 HydrophobicContact CG-CD2 4.48Å; W478-L515 HydrophobicContact CE3-CD1 4.37Å; W478-L515 HydrophobicContact CZ3-CD1 4.28Å; A481-L515 HydrophobicContact CB-CD1 3.67Å; Q511-L515 HydrophobicContact CG-CG 4.44Å; Q511-L515 WeakPolarHBondContact O-CG 3.3Å; Q511-L515 PolarHBondContact O-N 3.4Å; G512-L515 PolarHBondContact O-N 3.14Å; R513-L515 PolarHBondContact O-N 2.88Å; L515-Y519 HydrophobicContact CB-CD2 4.4Å; L515-Y519 HydrophobicContact CD2-CD2 3.8Å; L515-Y519 HydrophobicContact CD2-CE2 3.68Å; L515-Y519 WeakPolarHBondContact O-CB 3.44Å; L515-Y519 PolarHBondContact O-N 2.53Å; L515-F520 HydrophobicContact CB-CE2 4.06Å
516	W	94.4	Very high	93.6	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	I	π-helix	trans	-65.3	-52	177.8	177.2	83.9	0	0	0	112.5	P326 I331 F452 L455 E456 G512 R513 F514 T518 F520 S521	P326-W516 HydrophobicContact CB-CH2 3.32Å; P326-W516 HydrophobicContact CB-CZ2 4.03Å; P326-W516 HydrophobicContact CB-CZ3 4.15Å; P326-W516 HydrophobicContact CG-CH2 3.41Å; P326-W516 VanDerWaalsContact CG-CH2 3.41Å; P326-W516 HydrophobicContact CG-CZ2 4.21Å; P326-W516 HydrophobicContact CG-CZ3 3.8Å; I331-W516 HydrophobicContact CD1-CH2 4.03Å; I331-W516 HydrophobicContact CD1-CZ3 4.11Å; I331-W516 HydrophobicContact CG1-CH2 4.4Å; F452-W516 AromaticContact CD2-CD1 3.99Å; F452-W516 AromaticContact CD2-NE1 3.97Å; F452-W516 AromaticContact CE1-NE1 3.65Å; F452-W516 AromaticContact CE2-CD1 3.73Å; F452-W516 AromaticContact CE2-NE1 3.35Å; F452-W516 AromaticContact CZ-NE1 3.17Å; L455-W516 HydrophobicContact CB-CB 3.96Å; L455-W516 HydrophobicContact CB-CG 4.38Å; E456-W516 HydrophobicContact CB-CD2 4.43Å; E456-W516 HydrophobicContact CB-CZ2 3.95Å; E456-W516 HydrophobicContact CG-CH2 4.23Å; E456-W516 HydrophobicContact CG-CZ2 3.56Å; G512-W516 WeakPolarHBondContact O-CB 3.34Å; G512-W516 PolarHBondContact O-N 3.26Å; R513-W516 VanDerWaalsContact CZ-CZ3 3.43Å; R513-W516 PolarHBondContact O-N 2.84Å; F514-W516 VanDerWaalsContact C-N 3.31Å; F514-W516 PolarHBondContact O-N 2.88Å; W516-T518 VanDerWaalsContact C-N 3.28Å; W516-T518 PolarHBondContact O-N 3.35Å; W516-F520 PolarHBondContact O-N 3.38Å; W516-F520 VanDerWaalsContact O-N 3.15Å; W516-S521 WeakPolarHBondContact O-CA 3.5Å; W516-S521 VanDerWaalsContact O-CB 3.26Å; W516-S521 WeakPolarHBondContact O-CB 3.24Å; W516-S521 PolarHBondContact O-N 3.38Å
517	E	91.6	Very high	93.5	Very high	59 Å²	59	18.6 Å²	18.6	28%	0.276	10%	0.1	S	C	.	.	I	π-helix	trans	-58.9	-41.5	179.6	-70.2	178.4	153.5	0	0	111.7	R513 F514 S521	R513-E517 HydrophobicContact CG-CG 4.48Å; R513-E517 IonicContact CZ-OE1 3.71Å; R513-E517 VanDerWaalsContact NE-CD 3.28Å; R513-E517 IonicContact NE-OE1 2.78Å; R513-E517 PolarHBondContact NE-OE1 3.31Å; R513-E517 IonicContact NE-OE2 3.72Å; R513-E517 IonicContact NH2-OE1 3.44Å; R513-E517 PolarHBondContact NH2-OE1 3.1Å; R513-E517 WeakPolarHBondContact O-CG 3.18Å; R513-E517 PolarHBondContact O-N 3.39Å; F514-E517 PolarHBondContact O-N 2.79Å; E517-S521 PolarHBondContact O-OG 2.69Å
518	T	93.7	Very high	93.5	Very high	21 Å²	21	18.3 Å²	18.3	13%	0.129	9%	0.092	C	C	.	.	I	π-helix	trans	-84.4	-37.6	-169.8	-52.2	0	0	0	0	113.2	F514 W516 F611	F514-T518 WeakPolarHBondContact CD2-OG1 3.49Å; F514-T518 HydrophobicContact CE2-CG2 3.95Å; F514-T518 WeakPolarHBondContact CE2-OG1 3.25Å; F514-T518 HydrophobicContact CZ-CG2 4.14Å; F514-T518 WeakPolarHBondContact O-CB 3.35Å; F514-T518 PolarHBondContact O-N 3.49Å; F514-T518 PolarHBondContact O-OG1 2.83Å; W516-T518 VanDerWaalsContact C-N 3.28Å; W516-T518 PolarHBondContact O-N 3.35Å; T518-F611 HydrophobicContact CG2-CE2 3.53Å; T518-F611 HydrophobicContact CG2-CZ 4.08Å
519	Y	94.8	Very high	93.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.089	C	C	.	.	I	π-helix	trans	-119.2	-22.6	-167.9	-56.1	-60.3	0	0	0	115.3	L476 F514 L515 T529 W604 P610 F611	L476-Y519 HydrophobicContact CD1-CD2 4.15Å; L476-Y519 HydrophobicContact CD2-CD2 3.79Å; L476-Y519 HydrophobicContact CD2-CE2 3.54Å; F514-Y519 HydrophobicContact CE1-CE2 4.06Å; F514-Y519 HydrophobicContact CZ-CE2 4.18Å; L515-Y519 HydrophobicContact CB-CD2 4.4Å; L515-Y519 HydrophobicContact CD2-CD2 3.8Å; L515-Y519 HydrophobicContact CD2-CE2 3.68Å; L515-Y519 WeakPolarHBondContact O-CB 3.44Å; L515-Y519 PolarHBondContact O-N 2.53Å; Y519-T529 WeakPolarHBondContact CA-OG1 3.38Å; Y519-T529 HydrophobicContact CD1-CG2 3.7Å; Y519-T529 WeakPolarHBondContact CD1-OG1 3.4Å; Y519-T529 HydrophobicContact CG-CG2 4.33Å; Y519-W604 HydrophobicContact CD1-CE3 4.49Å; Y519-W604 HydrophobicContact CD1-CZ3 4.23Å; Y519-W604 AromaticContact CE1-CE3 3.86Å; Y519-W604 HydrophobicContact CE1-CE3 3.86Å; Y519-W604 AromaticContact CE1-CZ3 3.95Å; Y519-W604 HydrophobicContact CE1-CZ3 3.95Å; Y519-W604 WeakPolarHBondContact CE2-O 3.44Å; Y519-W604 VanDerWaalsContact CZ-O 3.3Å; Y519-W604 VanDerWaalsContact OH-C 3.25Å; Y519-W604 WeakPolarHBondContact OH-CA 3.39Å; Y519-W604 PolarHBondContact OH-O 2.78Å; Y519-P610 HydrophobicContact CE1-CG 4.44Å; Y519-P610 WeakPolarHBondContact OH-CD 3.34Å; Y519-F611 AromaticContact CD1-CZ 3.93Å; Y519-F611 HydrophobicContact CD1-CZ 3.93Å; Y519-F611 HydrophobicContact CE1-CE2 4.33Å; Y519-F611 AromaticContact CE1-CZ 3.77Å; Y519-F611 HydrophobicContact CE1-CZ 3.77Å
520	F	92.2	Very high	93.4	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.018	9%	0.088	C	C	.	.	I	π-helix	trans	-119.7	-26.6	-169	-51.6	-42.4	0	0	0	113.7	S317 F452 L455 P471 Y472 L476 W478 L515 W516 T522	S317-F520 VanDerWaalsContact CB-CD1 3.49Å; F452-F520 HydrophobicContact CD2-CB 4.05Å; F452-F520 HydrophobicContact CE2-CB 4.05Å; F452-F520 WeakPolarHBondContact CE2-O 3.44Å; L455-F520 HydrophobicContact CD1-CD2 3.98Å; L455-F520 HydrophobicContact CD1-CE2 3.89Å; P471-F520 HydrophobicContact CB-CE1 3.78Å; P471-F520 HydrophobicContact CB-CZ 4.16Å; Y472-F520 HydrophobicContact CD2-CD1 4.36Å; Y472-F520 AromaticContact CD2-CE1 3.5Å; Y472-F520 HydrophobicContact CD2-CE1 3.5Å; Y472-F520 HydrophobicContact CD2-CZ 4.28Å; Y472-F520 AromaticContact CE2-CD1 3.92Å; Y472-F520 HydrophobicContact CE2-CD1 3.92Å; Y472-F520 AromaticContact CE2-CE1 3.51Å; Y472-F520 HydrophobicContact CE2-CE1 3.51Å; L476-F520 HydrophobicContact CD1-CE1 4.36Å; L476-F520 HydrophobicContact CD1-CZ 3.71Å; W478-F520 AromaticContact CH2-CE2 3.66Å; W478-F520 HydrophobicContact CH2-CE2 3.66Å; W478-F520 AromaticContact CH2-CZ 3.78Å; W478-F520 HydrophobicContact CH2-CZ 3.78Å; W478-F520 HydrophobicContact CZ2-CE2 4.06Å; W478-F520 AromaticContact CZ2-CZ 3.67Å; W478-F520 HydrophobicContact CZ2-CZ 3.67Å; L515-F520 HydrophobicContact CB-CE2 4.06Å; W516-F520 PolarHBondContact O-N 3.38Å; W516-F520 VanDerWaalsContact O-N 3.15Å; F520-T522 PolarHBondContact O-N 3.2Å
521	S	88.3	Confident	93.5	Very high	7 Å²	7	14.4 Å²	14.4	5%	0.049	8%	0.077	C	C	.	.	S	Bend	trans	-56.4	-41.3	-163	55.5	0	0	0	0	114.6	H321 W516 E517 S525	H321-S521 VanDerWaalsContact CB-O 3.3Å; H321-S521 WeakPolarHBondContact CB-O 3.33Å; H321-S521 PolarHBondContact CD2-O 3Å; W516-S521 WeakPolarHBondContact O-CA 3.5Å; W516-S521 VanDerWaalsContact O-CB 3.26Å; W516-S521 WeakPolarHBondContact O-CB 3.24Å; W516-S521 PolarHBondContact O-N 3.38Å; E517-S521 PolarHBondContact O-OG 2.69Å; S521-S525 PolarHBondContact OG-OG 3.45Å
522	T	89.5	Confident	93.5	Very high	16 Å²	16	13.3 Å²	13.3	10%	0.098	7%	0.073	C	C	.	.	S	Bend	trans	-138.6	169.5	-173.7	70	0	0	0	0	112.4	F520 D524 S525 I526	F520-T522 PolarHBondContact O-N 3.2Å; T522-D524 PolarHBondContact O-N 2.57Å; T522-D524 PolarHBondContact OG1-N 3.03Å; T522-S525 PolarHBondContact O-N 3.48Å; T522-S525 PolarHBondContact OG1-N 2.91Å; T522-S525 VanDerWaalsContact OG1-N 3.14Å; T522-S525 PolarHBondContact OG1-OG 3.2Å; T522-I526 WeakPolarHBondContact O-CG1 3.32Å; T522-I526 PolarHBondContact O-N 2.87Å
523	A	89.1	Confident	93.5	Very high	7 Å²	7	13.3 Å²	13.3	6%	0.058	7%	0.071	C	C	.	.	H	α-helix	trans	-55.8	-38.6	170.3	0	0	0	0	0	112.5	A217 L319 A322 I526 F527	A217-A523 HydrophobicContact CB-CB 3.8Å; L319-A523 HydrophobicContact CD1-CB 3.69Å; L319-A523 HydrophobicContact CD2-CB 4.43Å; A322-A523 WeakPolarHBondContact O-CB 3.39Å; A523-I526 PolarHBondContact O-N 3.07Å; A523-F527 WeakPolarHBondContact O-CB 3.07Å; A523-F527 PolarHBondContact O-N 2.91Å
524	D	90.5	Very high	93.5	Very high	66 Å²	66	12.7 Å²	12.7	35%	0.353	7%	0.069	S	C	.	.	H	α-helix	trans	-62.3	-50.8	176.8	-176	72	0	0	0	111.2	T221 T522 I526 F527 N528	T221-D524 HydrophobicContact CG2-CB 4.25Å; T221-D524 PolarHBondContact OG1-N 2.98Å; T522-D524 PolarHBondContact O-N 2.57Å; T522-D524 PolarHBondContact OG1-N 3.03Å; D524-I526 VanDerWaalsContact C-N 3.33Å; D524-I526 PolarHBondContact O-N 3.34Å; D524-F527 PolarHBondContact O-N 2.77Å; D524-N528 VanDerWaalsContact O-CB 3.25Å; D524-N528 WeakPolarHBondContact O-CB 3.2Å; D524-N528 VanDerWaalsContact O-CG 3.23Å; D524-N528 PolarHBondContact O-N 3.37Å; D524-N528 PolarHBondContact O-ND2 3.1Å; D524-N528 VanDerWaalsContact O-ND2 3.15Å; D524-N528 PolarHBondContact OD1-ND2 3.45Å; D524-N528 VanDerWaalsContact OD1-ND2 3.09Å; D524-N528 PolarHBondContact OD2-ND2 2.77Å
525	S	92.1	Very high	93.5	Very high	15 Å²	15	11.9 Å²	11.9	11%	0.105	7%	0.065	C	C	.	.	H	α-helix	trans	-56.2	-47.1	175.9	-46.2	0	0	0	0	111.2	S521 T522 T529	S521-S525 PolarHBondContact OG-OG 3.45Å; T522-S525 PolarHBondContact O-N 3.48Å; T522-S525 PolarHBondContact OG1-N 2.91Å; T522-S525 VanDerWaalsContact OG1-N 3.14Å; T522-S525 PolarHBondContact OG1-OG 3.2Å; S525-T529 WeakPolarHBondContact O-CB 3.13Å; S525-T529 PolarHBondContact O-N 3.18Å; S525-T529 PolarHBondContact O-OG1 3.19Å
526	I	93.1	Very high	93.4	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-64.2	-47.8	-178.9	-68.6	166.3	0	0	0	111.3	L278 L319 T522 A523 D524 T529 V530	L278-I526 HydrophobicContact CD2-CG2 3.85Å; L319-I526 HydrophobicContact CD1-CD1 3.97Å; T522-I526 WeakPolarHBondContact O-CG1 3.32Å; T522-I526 PolarHBondContact O-N 2.87Å; A523-I526 PolarHBondContact O-N 3.07Å; D524-I526 VanDerWaalsContact C-N 3.33Å; D524-I526 PolarHBondContact O-N 3.34Å; I526-T529 PolarHBondContact O-N 2.71Å; I526-V530 WeakPolarHBondContact O-CG2 3.41Å; I526-V530 PolarHBondContact O-N 3.44Å
527	F	93.6	Very high	93.2	Very high	5 Å²	5	13.8 Å²	13.8	2%	0.022	7%	0.074	C	C	.	.	H	α-helix	trans	-64.3	-47.2	-179.8	-175.7	-104.4	0	0	0	111.8	V198 F218 T221 A222 N225 V228 V239 I276 A523 D524 T529 V530 L531	V198-F527 HydrophobicContact CG2-CZ 4.22Å; F218-F527 HydrophobicContact CD2-CD2 4.16Å; F218-F527 AromaticContact CE2-CD2 3.51Å; F218-F527 HydrophobicContact CE2-CD2 3.51Å; F218-F527 AromaticContact CE2-CE2 3.59Å; F218-F527 HydrophobicContact CE2-CE2 3.59Å; F218-F527 HydrophobicContact CZ-CD2 4.14Å; F218-F527 AromaticContact CZ-CE2 3.72Å; F218-F527 HydrophobicContact CZ-CE2 3.72Å; T221-F527 HydrophobicContact CG2-CB 3.46Å; T221-F527 VanDerWaalsContact CG2-CB 3.46Å; T221-F527 HydrophobicContact CG2-CD1 3.5Å; T221-F527 VanDerWaalsContact CG2-CD1 3.5Å; T221-F527 HydrophobicContact CG2-CE1 4.4Å; T221-F527 HydrophobicContact CG2-CG 3.67Å; A222-F527 HydrophobicContact CB-CZ 4.37Å; N225-F527 HydrophobicContact CB-CE1 4.07Å; V228-F527 HydrophobicContact CG2-CE1 4.29Å; V228-F527 HydrophobicContact CG2-CZ 4.31Å; V239-F527 HydrophobicContact CG1-CE2 4.27Å; I276-F527 HydrophobicContact CD1-CD2 4.19Å; I276-F527 HydrophobicContact CD1-CE2 4.34Å; A523-F527 WeakPolarHBondContact O-CB 3.07Å; A523-F527 PolarHBondContact O-N 2.91Å; D524-F527 PolarHBondContact O-N 2.77Å; F527-T529 PolarHBondContact O-N 2.95Å; F527-V530 PolarHBondContact O-N 3.4Å; F527-L531 HydrophobicContact CD1-CD1 3.98Å; F527-L531 HydrophobicContact CD1-CG 4.43Å; F527-L531 HydrophobicContact CE1-CD1 3.44Å; F527-L531 VanDerWaalsContact CE1-CD1 3.44Å; F527-L531 HydrophobicContact CE1-CG 4.17Å; F527-L531 HydrophobicContact CZ-CD1 3.81Å; F527-L531 HydrophobicContact CZ-CG 4.3Å; F527-L531 WeakPolarHBondContact O-CG 3.45Å; F527-L531 PolarHBondContact O-N 3.24Å
528	N	94.9	Very high	93.3	Very high	34 Å²	34	11.2 Å²	11.2	18%	0.182	6%	0.062	C	C	.	.	H	α-helix	trans	-59.9	-37.5	176.2	-71.3	-30.1	0	0	0	111	N225 D524 A532 F611	N225-N528 PolarHBondContact ND2-OD1 3.48Å; D524-N528 VanDerWaalsContact O-CB 3.25Å; D524-N528 WeakPolarHBondContact O-CB 3.2Å; D524-N528 VanDerWaalsContact O-CG 3.23Å; D524-N528 PolarHBondContact O-N 3.37Å; D524-N528 PolarHBondContact O-ND2 3.1Å; D524-N528 VanDerWaalsContact O-ND2 3.15Å; D524-N528 PolarHBondContact OD1-ND2 3.45Å; D524-N528 VanDerWaalsContact OD1-ND2 3.09Å; D524-N528 PolarHBondContact OD2-ND2 2.77Å; N528-A532 WeakPolarHBondContact O-CB 3.28Å; N528-A532 PolarHBondContact O-N 3.25Å; N528-F611 HydrophobicContact CB-CD1 4.12Å; N528-F611 HydrophobicContact CB-CE1 4Å
529	T	96.3	Very high	93.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67	-46.8	175.8	-56.8	0	0	0	0	112.1	Y472 Y519 S525 I526 F527 L531 A532 M533 W604	Y472-T529 HydrophobicContact CD1-CG2 4.13Å; Y472-T529 HydrophobicContact CD2-CG2 3.68Å; Y472-T529 HydrophobicContact CE1-CG2 3.88Å; Y472-T529 HydrophobicContact CE2-CG2 3.41Å; Y472-T529 VanDerWaalsContact CE2-CG2 3.41Å; Y472-T529 HydrophobicContact CG-CG2 4.04Å; Y519-T529 WeakPolarHBondContact CA-OG1 3.38Å; Y519-T529 HydrophobicContact CD1-CG2 3.7Å; Y519-T529 WeakPolarHBondContact CD1-OG1 3.4Å; Y519-T529 HydrophobicContact CG-CG2 4.33Å; S525-T529 WeakPolarHBondContact O-CB 3.13Å; S525-T529 PolarHBondContact O-N 3.18Å; S525-T529 PolarHBondContact O-OG1 3.19Å; I526-T529 PolarHBondContact O-N 2.71Å; F527-T529 PolarHBondContact O-N 2.95Å; T529-L531 VanDerWaalsContact C-N 3.32Å; T529-L531 PolarHBondContact O-N 2.62Å; T529-A532 PolarHBondContact O-N 3.3Å; T529-M533 VanDerWaalsContact O-CB 3.24Å; T529-M533 WeakPolarHBondContact O-CB 3.23Å; T529-M533 PolarHBondContact O-N 3.12Å; T529-W604 HydrophobicContact CG2-CH2 3.97Å; T529-W604 HydrophobicContact CG2-CZ3 3.74Å
530	V	96.1	Very high	93	Very high	1 Å²	1	15 Å²	15	1%	0.006	8%	0.078	C	C	.	.	H	α-helix	trans	-56.7	-47.7	176.3	165.5	0	0	0	0	110.6	V274 I276 A299 L314 V316 Y472 I526 F527 M533 I534	V274-V530 HydrophobicContact CG1-CG1 4.47Å; I276-V530 HydrophobicContact CD1-CG1 4.11Å; A299-V530 HydrophobicContact CB-CG2 4.46Å; L314-V530 HydrophobicContact CD1-CG1 4.07Å; V316-V530 HydrophobicContact CG1-CG2 3.79Å; Y472-V530 HydrophobicContact CE1-CG2 4.4Å; I526-V530 WeakPolarHBondContact O-CG2 3.41Å; I526-V530 PolarHBondContact O-N 3.44Å; F527-V530 PolarHBondContact O-N 3.4Å; V530-M533 PolarHBondContact O-N 2.8Å; V530-I534 HydrophobicContact CG1-CD1 4.18Å; V530-I534 WeakPolarHBondContact O-CG1 3.33Å; V530-I534 PolarHBondContact O-N 3.16Å; V530-I534 VanDerWaalsContact O-N 3.14Å
531	L	96.6	Very high	92.9	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-64.3	-45.8	177.2	-68.2	-170.3	0	0	0	112.1	F194 V196 Y227 L237 V239 F527 T529 M533 I534 R535	F194-L531 HydrophobicContact CE1-CB 4.2Å; F194-L531 HydrophobicContact CE1-CD2 4.34Å; V196-L531 HydrophobicContact CG1-CD2 4.22Å; V196-L531 HydrophobicContact CG2-CD1 4.36Å; V196-L531 HydrophobicContact CG2-CD2 4.06Å; Y227-L531 HydrophobicContact CD2-CD1 4.5Å; L237-L531 HydrophobicContact CD2-CD2 3.86Å; V239-L531 HydrophobicContact CG2-CD2 4.43Å; F527-L531 HydrophobicContact CD1-CD1 3.98Å; F527-L531 HydrophobicContact CD1-CG 4.43Å; F527-L531 HydrophobicContact CE1-CD1 3.44Å; F527-L531 VanDerWaalsContact CE1-CD1 3.44Å; F527-L531 HydrophobicContact CE1-CG 4.17Å; F527-L531 HydrophobicContact CZ-CD1 3.81Å; F527-L531 HydrophobicContact CZ-CG 4.3Å; F527-L531 WeakPolarHBondContact O-CG 3.45Å; F527-L531 PolarHBondContact O-N 3.24Å; T529-L531 VanDerWaalsContact C-N 3.32Å; T529-L531 PolarHBondContact O-N 2.62Å; L531-M533 VanDerWaalsContact C-N 3.26Å; L531-M533 PolarHBondContact O-N 3.23Å; L531-I534 PolarHBondContact O-N 3.18Å; L531-R535 WeakPolarHBondContact O-CB 3.36Å; L531-R535 PolarHBondContact O-N 2.78Å
532	A	95.8	Very high	93.1	Very high	4 Å²	4	15.8 Å²	15.8	3%	0.033	8%	0.084	C	C	.	.	H	α-helix	trans	-61.1	-36.6	177.8	0	0	0	0	0	112	N528 T529 T536 W604 P610 F611	N528-A532 WeakPolarHBondContact O-CB 3.28Å; N528-A532 PolarHBondContact O-N 3.25Å; T529-A532 PolarHBondContact O-N 3.3Å; A532-T536 VanDerWaalsContact O-CB 3.28Å; A532-T536 WeakPolarHBondContact O-CB 3.44Å; A532-T536 PolarHBondContact O-N 3.03Å; A532-T536 PolarHBondContact O-OG1 2.87Å; A532-W604 HydrophobicContact CB-CH2 4.14Å; A532-W604 HydrophobicContact CB-CZ2 4Å; A532-P610 HydrophobicContact CB-CG 4.21Å; A532-F611 HydrophobicContact CB-CD1 4.04Å; A532-F611 HydrophobicContact CB-CE1 4.08Å
533	M	95.4	Very high	93.3	Very high	3 Å²	3	16 Å²	16	2%	0.015	9%	0.087	C	C	.	.	H	α-helix	trans	-65.3	-50.8	179.4	-157.2	-71.2	-147.9	0	0	111	L314 D474 M475 T529 V530 L531 T536 R537 W604	L314-M533 HydrophobicContact CD2-CB 3.93Å; L314-M533 HydrophobicContact CD2-CE 3.21Å; L314-M533 HydrophobicContact CD2-CG 3.56Å; L314-M533 HydrophobicContact CD2-SD 3.5Å; L314-M533 WeakPolarHBondContact CD2-SD 3.47Å; L314-M533 HydrophobicContact CG-CE 4.26Å; D474-M533 HydrophobicContact CB-CE 4.38Å; M475-M533 HydrophobicContact CE-SD 4.18Å; M475-M533 HydrophobicContact CG-CG 4.21Å; T529-M533 VanDerWaalsContact O-CB 3.24Å; T529-M533 WeakPolarHBondContact O-CB 3.23Å; T529-M533 PolarHBondContact O-N 3.12Å; V530-M533 PolarHBondContact O-N 2.8Å; L531-M533 VanDerWaalsContact C-N 3.26Å; L531-M533 PolarHBondContact O-N 3.23Å; M533-T536 PolarHBondContact O-N 2.77Å; M533-R537 WeakPolarHBondContact O-CB 3.49Å; M533-R537 PolarHBondContact O-N 3.48Å; M533-R537 WeakPolarHBondContact SD-CD 3.39Å; M533-R537 HydrophobicContact SD-CG 3.8Å; M533-R537 PolarHBondContact SD-NE 2.84Å; M533-W604 HydrophobicContact CB-CH2 3.73Å; M533-W604 HydrophobicContact CB-CZ2 4.11Å; M533-W604 HydrophobicContact CG-CH2 4.06Å; M533-W604 HydrophobicContact CG-CZ2 4.42Å
534	I	95.2	Very high	93.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.8	-49	176.4	-64.4	169.6	0	0	0	109.7	F194 L237 V274 M297 L314 V530 L531 T536 R537 I538	F194-I534 HydrophobicContact CE2-CG2 4.18Å; F194-I534 HydrophobicContact CZ-CB 4.28Å; F194-I534 HydrophobicContact CZ-CG2 3.99Å; L237-I534 HydrophobicContact CD1-CG2 4.12Å; L237-I534 HydrophobicContact CD2-CD1 3.97Å; L237-I534 HydrophobicContact CD2-CG2 4.46Å; V274-I534 HydrophobicContact CB-CD1 4.48Å; V274-I534 HydrophobicContact CG1-CD1 4.16Å; V274-I534 HydrophobicContact CG2-CD1 3.56Å; M297-I534 HydrophobicContact CE-CG2 4.28Å; M297-I534 HydrophobicContact SD-CD1 4.4Å; M297-I534 HydrophobicContact SD-CG1 4.16Å; L314-I534 HydrophobicContact CD1-CD1 4.01Å; L314-I534 HydrophobicContact CD1-CG1 3.95Å; V530-I534 HydrophobicContact CG1-CD1 4.18Å; V530-I534 WeakPolarHBondContact O-CG1 3.33Å; V530-I534 PolarHBondContact O-N 3.16Å; V530-I534 VanDerWaalsContact O-N 3.14Å; L531-I534 PolarHBondContact O-N 3.18Å; I534-T536 VanDerWaalsContact C-N 3.31Å; I534-T536 PolarHBondContact O-N 2.74Å; I534-R537 WeakPolarHBondContact O-CB 3.46Å; I534-R537 PolarHBondContact O-N 3.48Å; I534-R537 VanDerWaalsContact O-N 3.16Å; I534-I538 WeakPolarHBondContact O-CG1 3.47Å; I534-I538 PolarHBondContact O-N 3.33Å
535	R	93.9	Very high	93.5	Very high	5 Å²	5	16.7 Å²	16.7	2%	0.019	9%	0.094	C	C	.	.	H	α-helix	trans	-54.5	-45.5	177.6	-176.9	-172.8	62	71	1.2	112.1	F194 L531 I538 Q539 I540 P541 P610	F194-R535 HydrophobicContact CD1-CB 4.1Å; F194-R535 HydrophobicContact CD1-CG 4.24Å; F194-R535 HydrophobicContact CE1-CB 3.9Å; F194-R535 HydrophobicContact CE2-CB 4.44Å; F194-R535 HydrophobicContact CG-CB 4.44Å; F194-R535 HydrophobicContact CG-CG 4.31Å; F194-R535 HydrophobicContact CZ-CB 4.07Å; L531-R535 WeakPolarHBondContact O-CB 3.36Å; L531-R535 PolarHBondContact O-N 2.78Å; R535-I538 CarbonylContact O-C 3.56Å; R535-I538 WeakPolarHBondContact O-CG1 3.46Å; R535-I538 PolarHBondContact O-N 3.43Å; R535-Q539 PolarHBondContact O-N 2.84Å; R535-I540 HydrophobicContact CG-CB 3.97Å; R535-I540 HydrophobicContact CG-CG2 4.34Å; R535-I540 WeakPolarHBondContact CG-O 3.49Å; R535-I540 PolarHBondContact NH1-O 2.92Å; R535-I540 PolarHBondContact O-N 2.91Å; R535-P541 VanDerWaalsContact NH1-C 3.26Å; R535-P610 PolarHBondContact NH2-O 2.84Å
536	T	93.7	Very high	93.6	Very high	11 Å²	11	23.8 Å²	23.8	7%	0.067	12%	0.119	C	C	.	.	H	α-helix	trans	-65.5	-44.9	178.2	-57.7	0	0	0	0	111	M475 A532 M533 I534 I538 Q539 T596 F600 W604	M475-T536 HydrophobicContact CE-CG2 3.86Å; M475-T536 HydrophobicContact SD-CG2 4.12Å; A532-T536 VanDerWaalsContact O-CB 3.28Å; A532-T536 WeakPolarHBondContact O-CB 3.44Å; A532-T536 PolarHBondContact O-N 3.03Å; A532-T536 PolarHBondContact O-OG1 2.87Å; M533-T536 PolarHBondContact O-N 2.77Å; I534-T536 VanDerWaalsContact C-N 3.31Å; I534-T536 PolarHBondContact O-N 2.74Å; T536-I538 VanDerWaalsContact C-N 3.28Å; T536-I538 PolarHBondContact O-N 2.93Å; T536-Q539 PolarHBondContact O-N 2.77Å; T536-T596 HydrophobicContact CG2-CG2 4.19Å; T536-F600 HydrophobicContact CG2-CB 4.01Å; T536-W604 PolarHBondContact OG1-NE1 2.68Å
537	R	92	Very high	93.5	Very high	29 Å²	29	25.8 Å²	25.8	11%	0.109	13%	0.128	C	C	.	.	H	α-helix	trans	-59.1	-36.1	176.7	-85.7	-177.9	173.2	169.5	-2.1	113	L179 G311 F312 D313 D474 M475 M533 I534	L179-R537 HydrophobicContact CD1-CB 3.76Å; L179-R537 HydrophobicContact CD1-CG 4.17Å; G311-R537 VanDerWaalsContact C-NH2 3.3Å; G311-R537 VanDerWaalsContact O-CZ 3.27Å; G311-R537 PolarHBondContact O-NE 3.44Å; F312-R537 VanDerWaalsContact C-NH1 3.28Å; F312-R537 PolarHBondContact O-NH1 3.32Å; D313-R537 PolarHBondContact O-NH1 3.17Å; D313-R537 PolarHBondContact O-NH2 2.91Å; D313-R537 VanDerWaalsContact O-NH2 3.1Å; D474-R537 IonicContact OD2-CZ 3.73Å; D474-R537 IonicContact OD2-NE 3.78Å; D474-R537 IonicContact OD2-NH2 3.86Å; D474-R537 PolarHBondContact OD2-NH2 3.34Å; M475-R537 HydrophobicContact CE-CG 3.82Å; M533-R537 WeakPolarHBondContact O-CB 3.49Å; M533-R537 PolarHBondContact O-N 3.48Å; M533-R537 WeakPolarHBondContact SD-CD 3.39Å; M533-R537 HydrophobicContact SD-CG 3.8Å; M533-R537 PolarHBondContact SD-NE 2.84Å; I534-R537 WeakPolarHBondContact O-CB 3.46Å; I534-R537 PolarHBondContact O-N 3.48Å; I534-R537 VanDerWaalsContact O-N 3.16Å
538	I	91.9	Very high	93.6	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.026	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	7.7	176.9	70.8	178.6	0	0	0	113.4	L179 F183 Y185 C188 F194 I534 R535 T536 I540	L179-I538 HydrophobicContact CD2-CG2 4.4Å; F183-I538 HydrophobicContact CD1-CG2 4.07Å; F183-I538 HydrophobicContact CE1-CD1 4.25Å; F183-I538 HydrophobicContact CE1-CG2 3.72Å; F183-I538 HydrophobicContact CZ-CD1 4.03Å; F183-I538 HydrophobicContact CZ-CG2 3.95Å; Y185-I538 HydrophobicContact CE1-CB 4.11Å; Y185-I538 HydrophobicContact CE1-CG2 4.21Å; C188-I538 HydrophobicContact CB-CD1 4.1Å; F194-I538 HydrophobicContact CD2-CD1 3.82Å; F194-I538 HydrophobicContact CE2-CD1 3.58Å; I534-I538 WeakPolarHBondContact O-CG1 3.47Å; I534-I538 PolarHBondContact O-N 3.33Å; R535-I538 CarbonylContact O-C 3.56Å; R535-I538 WeakPolarHBondContact O-CG1 3.46Å; R535-I538 PolarHBondContact O-N 3.43Å; T536-I538 VanDerWaalsContact C-N 3.28Å; T536-I538 PolarHBondContact O-N 2.93Å; I538-I540 VanDerWaalsContact C-N 3.3Å; I538-I540 HydrophobicContact CD1-CD1 3.56Å; I538-I540 HydrophobicContact CD1-CG1 4.16Å; I538-I540 HydrophobicContact CG1-CB 4.45Å; I538-I540 HydrophobicContact CG1-CD1 3.95Å; I538-I540 HydrophobicContact CG1-CG1 3.97Å; I538-I540 PolarHBondContact O-N 3.38Å
539	Q	91.7	Very high	93.5	Very high	99 Å²	99	29.6 Å²	29.6	46%	0.463	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	27.4	172	-51.7	-179.6	-16.6	0	0	115.4	L190 R535 T536 V597	L190-Q539 HydrophobicContact CD2-CB 4.49Å; L190-Q539 WeakPolarHBondContact CD2-O 3.38Å; R535-Q539 PolarHBondContact O-N 2.84Å; T536-Q539 PolarHBondContact O-N 2.77Å; Q539-V597 HydrophobicContact CB-CG2 3.97Å; Q539-V597 HydrophobicContact CG-CG2 3.84Å
540	I	91.3	Very high	93.3	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-88.1	132.5	174.5	-63.6	177.3	0	0	0	109	C188 F194 R535 I538	C188-I540 HydrophobicContact CB-CD1 4.14Å; F194-I540 HydrophobicContact CB-CD1 4.44Å; F194-I540 HydrophobicContact CB-CG2 4.04Å; F194-I540 HydrophobicContact CD2-CD1 4.07Å; R535-I540 HydrophobicContact CG-CB 3.97Å; R535-I540 HydrophobicContact CG-CG2 4.34Å; R535-I540 WeakPolarHBondContact CG-O 3.49Å; R535-I540 PolarHBondContact NH1-O 2.92Å; R535-I540 PolarHBondContact O-N 2.91Å; I538-I540 VanDerWaalsContact C-N 3.3Å; I538-I540 HydrophobicContact CD1-CD1 3.56Å; I538-I540 HydrophobicContact CD1-CG1 4.16Å; I538-I540 HydrophobicContact CG1-CB 4.45Å; I538-I540 HydrophobicContact CG1-CD1 3.95Å; I538-I540 HydrophobicContact CG1-CG1 3.97Å; I538-I540 PolarHBondContact O-N 3.38Å
541	P	91	Very high	93.2	Very high	19 Å²	19	33.3 Å²	33.3	12%	0.123	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-66.3	156.3	177.4	27.4	-35.6	0	0	0	112.6	R535 F593 L613	R535-P541 VanDerWaalsContact NH1-C 3.26Å; P541-F593 HydrophobicContact CG-CD1 3.83Å; P541-F593 HydrophobicContact CG-CE1 3.82Å; P541-L613 HydrophobicContact CB-CD2 4.49Å
542	A	92.4	Very high	93	Very high	9 Å²	9	39 Å²	39	7%	0.074	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-66.2	157.3	174.7	0	0	0	0	0	110.6	Y227 L613	Y227-A542 WeakPolarHBondContact OH-CA 3.27Å; A542-L613 HydrophobicContact CB-CB 4.18Å; A542-L613 VanDerWaalsContact O-CB 3.28Å; A542-L613 WeakPolarHBondContact O-CB 3.36Å
543	A	91.8	Very high	92.8	Very high	19 Å²	19	39.7 Å²	39.7	16%	0.157	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-57.6	136.8	168.5	0	0	0	0	0	109.6	V226 Y227 I545 L613	V226-A543 HydrophobicContact CG1-CB 4.24Å; Y227-A543 HydrophobicContact CE1-CB 3.91Å; Y227-A543 PolarHBondContact OH-N 3.25Å; A543-I545 PolarHBondContact O-N 3.02Å; A543-L613 PolarHBondContact O-N 3.46Å
544	P	91.9	Very high	92.4	Very high	80 Å²	80	45.2 Å²	45.2	52%	0.519	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-52.6	137.7	172.2	-26.6	35.2	0	0	0	111.3	Y589 L613	P544-Y589 HydrophobicContact CB-CE1 4.3Å; P544-L613 WeakPolarHBondContact CA-O 3.45Å
545	I	93.3	Very high	92.1	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.041	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-62.3	143.9	170.1	-163.9	156.1	0	0	0	110.1	A543 H612 L613 F614 Y811 Y815	A543-I545 PolarHBondContact O-N 3.02Å; I545-H612 HydrophobicContact CB-CB 4Å; I545-H612 HydrophobicContact CD1-CB 4.23Å; I545-H612 HydrophobicContact CG1-CB 4.37Å; I545-L613 PolarHBondContact N-O 2.76Å; I545-F614 HydrophobicContact CD1-CD1 4.23Å; I545-F614 HydrophobicContact CD1-CE1 3.46Å; I545-F614 VanDerWaalsContact CD1-CE1 3.46Å; I545-F614 HydrophobicContact CD1-CZ 3.87Å; I545-F614 HydrophobicContact CG2-CD1 3.96Å; I545-F614 HydrophobicContact CG2-CE1 4.32Å; I545-Y811 HydrophobicContact CB-CD1 4.38Å; I545-Y811 HydrophobicContact CD1-CD1 4.07Å; I545-Y811 HydrophobicContact CD1-CG 4.24Å; I545-Y811 HydrophobicContact CG1-CD1 4.01Å; I545-Y811 HydrophobicContact CG2-CD1 3.52Å; I545-Y811 HydrophobicContact CG2-CE1 3.55Å; I545-Y811 HydrophobicContact CG2-CG 4.06Å; I545-Y815 HydrophobicContact CD1-CD2 3.98Å; I545-Y815 HydrophobicContact CG1-CD2 4.06Å; I545-Y815 HydrophobicContact CG1-CE2 4.39Å
546	R	92.8	Very high	91.6	Very high	165 Å²	165	56.5 Å²	56.5	62%	0.623	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-65.9	142.5	179.9	-167	177.9	79.2	-176	7.6	110.7	E548 Y811 Y815	R546-E548 IonicContact CZ-OE1 3.08Å; R546-E548 IonicContact NE-OE1 3.83Å; R546-E548 IonicContact NH2-OE1 2.65Å; R546-E548 PolarHBondContact NH2-OE1 3Å; R546-E548 IonicContact NH2-OE2 2.67Å; R546-Y811 WeakPolarHBondContact O-CE1 3.3Å; R546-Y815 VanDerWaalsContact O-CE2 3.29Å; R546-Y815 WeakPolarHBondContact O-CE2 3.32Å
547	E	92.2	Very high	91.1	Very high	43 Å²	43	59.2 Å²	59.2	20%	0.201	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-103.9	148.9	166.1	-66.4	-171.4	129.4	0	0	109.4	R588 N733 K807 Y811	E547-R588 IonicContact OE1-CZ 2.93Å; E547-R588 IonicContact OE1-NH1 3.69Å; E547-R588 PolarHBondContact OE1-NH1 3.34Å; E547-R588 IonicContact OE1-NH2 3.17Å; E547-R588 PolarHBondContact OE1-NH2 3.28Å; E547-R588 VanDerWaalsContact OE1-NH2 3.09Å; E547-R588 IonicContact OE2-CZ 3.79Å; E547-R588 VanDerWaalsContact OE2-CZ 3.29Å; E547-R588 IonicContact OE2-NH1 2.69Å; E547-R588 PolarHBondContact OE2-NH1 3.36Å; E547-R588 IonicContact OE2-NH2 2.73Å; E547-R588 PolarHBondContact OE2-NH2 2.84Å; E547-N733 HydrophobicContact CB-CB 4.14Å; E547-K807 IonicContact OE1-NZ 3.48Å; E547-K807 PolarHBondContact OE1-NZ 3.46Å; E547-Y811 HydrophobicContact CG-CE1 3.97Å; E547-Y811 WeakPolarHBondContact CG-OH 3.42Å; E547-Y811 PolarHBondContact OE1-OH 3.27Å
548	E	94.4	Very high	90.4	Very high	42 Å²	42	58.7 Å²	58.7	20%	0.196	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-81.4	132.3	175.6	-69.5	-56	149.8	0	0	110.4	R546 A550 L730 P731 W732 N733 Y815	R546-E548 IonicContact CZ-OE1 3.08Å; R546-E548 IonicContact NE-OE1 3.83Å; R546-E548 IonicContact NH2-OE1 2.65Å; R546-E548 PolarHBondContact NH2-OE1 3Å; R546-E548 IonicContact NH2-OE2 2.67Å; E548-A550 PolarHBondContact O-N 3.4Å; E548-L730 HydrophobicContact CG-CB 4.29Å; E548-L730 HydrophobicContact CG-CD2 4.23Å; E548-P731 HydrophobicContact CG-CG 4.47Å; E548-P731 PolarHBondContact N-O 3.27Å; E548-W732 HydrophobicContact CB-CD2 4.4Å; E548-W732 HydrophobicContact CB-CE3 3.68Å; E548-W732 HydrophobicContact CB-CZ3 3.86Å; E548-W732 CarbonylContact O-C 3.52Å; E548-W732 WeakPolarHBondContact O-CA 3.45Å; E548-N733 PolarHBondContact O-N 3.33Å; E548-N733 PolarHBondContact O-OD1 3.49Å; E548-Y815 VanDerWaalsContact CD-OH 3.24Å; E548-Y815 WeakPolarHBondContact CG-OH 3.36Å; E548-Y815 WeakPolarHBondContact OE1-CE1 3.49Å; E548-Y815 PolarHBondContact OE1-OH 3.41Å
549	A	94.2	Very high	89.3	Confident	76 Å²	76	66.5 Å²	66.5	63%	0.628	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-78.1	121.5	179.3	0	0	0	0	0	110.2	A551 W732	A549-A551 PolarHBondContact O-N 2.95Å; A549-W732 WeakPolarHBondContact O-CZ3 3.33Å
550	A	92.2	Very high	87.7	Confident	23 Å²	23	64.2 Å²	64.2	19%	0.19	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-72	119.8	175.3	0	0	0	0	0	111.5	E548 E552 M716 V718 W732 N733 E734	E548-A550 PolarHBondContact O-N 3.4Å; A550-E552 PolarHBondContact O-N 2.85Å; A550-M716 HydrophobicContact CB-CE 4.16Å; A550-M716 HydrophobicContact CB-SD 3.98Å; A550-V718 HydrophobicContact CB-CG1 4.22Å; A550-V718 HydrophobicContact CB-CG2 3.95Å; A550-W732 HydrophobicContact CB-CE3 4.24Å; A550-N733 PolarHBondContact N-OD1 3.35Å; A550-E734 HydrophobicContact CB-CB 4.49Å; A550-E734 HydrophobicContact CB-CG 3.6Å
551	A	93.1	Very high	85.4	Confident	57 Å²	57	69.6 Å²	69.6	47%	0.471	40%	0.399	S	S	.	.			trans	-84.5	92.5	168	0	0	0	0	0	109.5	A549 R719	A549-A551 PolarHBondContact O-N 2.95Å; A551-R719 HydrophobicContact CB-CB 4.33Å; A551-R719 WeakPolarHBondContact O-CB 3.36Å; A551-R719 PolarHBondContact O-N 2.89Å
552	E	92.8	Very high	83.4	Confident	120 Å²	120	72.5 Å²	72.5	56%	0.561	43%	0.433	S	S	*	.	B	Isolated β-bridge	trans	-67.1	135.3	-176.3	-171.6	178	-172.5	0	0	112.5	A550 M716 V717	A550-E552 PolarHBondContact O-N 2.85Å; E552-M716 HydrophobicContact CG-CG 4.48Å; E552-V717 CarbonylContact C-O 3.57Å; E552-V717 WeakPolarHBondContact CA-O 3.35Å
553	I	90.9	Very high	81.2	Confident	18 Å²	18	74.7 Å²	74.7	9%	0.092	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-91.3	116.5	167.3	-55	178.7	0	0	0	107.9	H555 W696 L701 P702 V717 R719	I553-H555 PolarHBondContact O-N 3.26Å; I553-H555 PolarHBondContact O-ND1 3.27Å; I553-H555 VanDerWaalsContact O-ND1 3.14Å; I553-W696 HydrophobicContact CD1-CB 3.99Å; I553-W696 HydrophobicContact CD1-CG 3.91Å; I553-L701 HydrophobicContact CD1-CD2 3.85Å; I553-L701 HydrophobicContact CG1-CD2 4.4Å; I553-L701 HydrophobicContact CG2-CD2 4.5Å; I553-P702 HydrophobicContact CD1-CG 4.39Å; I553-P702 HydrophobicContact CG2-CG 4.22Å; I553-V717 HydrophobicContact CB-CB 4.21Å; I553-V717 HydrophobicContact CB-CG1 4.09Å; I553-V717 HydrophobicContact CD1-CG1 4.05Å; I553-V717 HydrophobicContact CG1-CG1 4.36Å; I553-V717 PolarHBondContact N-O 3.26Å; I553-R719 HydrophobicContact CD1-CB 3.89Å; I553-R719 HydrophobicContact CD1-CG 4.39Å; I553-R719 HydrophobicContact CG1-CB 3.77Å
554	P	88.7	Confident	78.9	Confident	120 Å²	120	78.3 Å²	78.3	78%	0.779	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-59.3	134.3	176.3	-22.8	33.4	0	0	0	111.1
555	H	87.1	Confident	76.7	Confident	50 Å²	50	79.4 Å²	79.4	23%	0.231	47%	0.469	C	S	.	.			trans	-146.2	161.2	-178.7	62.2	-76.9	0	0	0	111.5	I553 W708 I715	I553-H555 PolarHBondContact O-N 3.26Å; I553-H555 PolarHBondContact O-ND1 3.27Å; I553-H555 VanDerWaalsContact O-ND1 3.14Å; H555-W708 HydrophobicContact CB-CD2 4.41Å; H555-W708 HydrophobicContact CB-CG 4.22Å; H555-W708 AromaticContact CD2-CD1 3.89Å; H555-W708 AromaticContact CD2-CD2 3.88Å; H555-W708 AromaticContact CD2-CG 3.61Å; H555-I715 PolarHBondContact CE1-O 2.85Å; H555-I715 PolarHBondContact NE2-O 3.47Å
556	R	85.1	Confident	74.4	Confident	191 Å²	191	84.9 Å²	84.9	72%	0.721	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.8	178.1	-65	-178.7	-176.5	173.6	5.2	109.6	L707 W708	R556-L707 HydrophobicContact CB-CD1 4.49Å; R556-W708 PolarHBondContact O-N 3.25Å
557	S	82.7	Confident	72.1	Confident	69 Å²	69	83.6 Å²	83.6	48%	0.483	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	143.8	173	-64.8	0	0	0	0	110.9	W708	S557-W708 CarbonylContact C-O 3.44Å; S557-W708 VanDerWaalsContact CA-O 3.28Å; S557-W708 WeakPolarHBondContact CA-O 3.28Å
558	G	77.4	Confident	70	Confident	18 Å²	18	82.6 Å²	82.6	19%	0.186	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169	175.3	174.8	0	0	0	0	0	113.2	W708 D710	G558-W708 PolarHBondContact N-O 2.74Å; G558-D710 PolarHBondContact O-N 3.41Å; G558-D710 VanDerWaalsContact O-N 3.15Å
559	K	68.1	Low	67.7	Low	169 Å²	169	86.5 Å²	86.5	74%	0.735	52%	0.522	S	S	*	.			trans	-87.4	121.5	175.5	-66.1	-174.6	177.6	-175	0	109.1	D710	K559-D710 HydrophobicContact CG-CB 4.37Å
560	A	58.2	Low	65.4	Low	51 Å²	51	87.1 Å²	87.1	42%	0.421	52%	0.515	S	S	.	.			trans	-61.7	141.3	173.4	0	0	0	0	0	110.3	G562 T563	A560-G562 PolarHBondContact O-N 3.42Å; A560-T563 HydrophobicContact CB-CG2 4.3Å; A560-T563 PolarHBondContact O-OG1 3.19Å
561	A	43.3	Very low	63.3	Low	114 Å²	114	87.2 Å²	87.2	94%	0.942	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	110.8	178.2	0	0	0	0	0	109.8
562	G	49	Very low	61.4	Low	81 Å²	81	91.6 Å²	91.6	84%	0.835	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.4	5.2	173.5	0	0	0	0	0	116.1	A560 D564	A560-G562 PolarHBondContact O-N 3.42Å; G562-D564 PolarHBondContact O-N 2.95Å
563	T	46.2	Very low	59.9	Low	54 Å²	54	86.6 Å²	86.6	33%	0.331	51%	0.511	S	S	.	.			trans	-80	111.2	173.7	38.2	0	0	0	0	110.7	A560 E681	A560-T563 HydrophobicContact CB-CG2 4.3Å; A560-T563 PolarHBondContact O-OG1 3.19Å; T563-E681 WeakPolarHBondContact CB-OE1 3.5Å; T563-E681 WeakPolarHBondContact CG2-OE1 3.48Å; T563-E681 PolarHBondContact OG1-OE1 2.93Å
564	D	43.5	Very low	58.6	Low	95 Å²	95	90.4 Å²	90.4	51%	0.508	53%	0.532	S	S	.	.			trans	-63.6	123.2	171.7	-167.5	-19.6	0	0	0	107.6	G562 N566 M567	G562-D564 PolarHBondContact O-N 2.95Å; D564-N566 PolarHBondContact O-N 3.46Å; D564-N566 PolarHBondContact OD1-N 2.88Å; D564-N566 PolarHBondContact OD1-ND2 3.43Å; D564-N566 VanDerWaalsContact OD1-ND2 3.11Å; D564-M567 PolarHBondContact O-N 3.39Å
565	P	45.7	Very low	57.4	Low	104 Å²	104	85.7 Å²	85.7	68%	0.675	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-56.7	-10	177.4	20.6	-31.8	0	0	0	113.8
566	N	44.3	Very low	56.1	Low	123 Å²	123	83.5 Å²	83.5	66%	0.658	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-87.1	6.7	174.2	-63.6	-48.8	0	0	0	115.5	D564 A568	D564-N566 PolarHBondContact O-N 3.46Å; D564-N566 PolarHBondContact OD1-N 2.88Å; D564-N566 PolarHBondContact OD1-ND2 3.43Å; D564-N566 VanDerWaalsContact OD1-ND2 3.11Å; N566-A568 VanDerWaalsContact C-N 3.32Å
567	M	44.6	Very low	54.7	Low	138 Å²	138	78.7 Å²	78.7	68%	0.68	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-76.3	-15.1	176.1	-104.9	-176.2	79	0	0	114.4	D564 D569	D564-M567 PolarHBondContact O-N 3.39Å; M567-D569 PolarHBondContact O-N 3.08Å
568	A	48	Very low	53.7	Low	22 Å²	22	79 Å²	79	18%	0.182	48%	0.484	C	S	.	.	S	Bend	trans	-67.7	112.9	156.9	0	0	0	0	0	106.2	N566 N570	N566-A568 VanDerWaalsContact C-N 3.32Å; A568-N570 PolarHBondContact O-N 3.01Å
569	D	45.9	Very low	52.7	Low	124 Å²	124	79.8 Å²	79.8	66%	0.663	48%	0.482	S	S	*	.			trans	-62.6	67.4	173.2	-175.4	25.3	0	0	0	109.7	M567 G571	M567-D569 PolarHBondContact O-N 3.08Å; D569-G571 PolarHBondContact O-N 3.42Å
570	N	46.8	Very low	51.9	Low	88 Å²	88	77.3 Å²	77.3	47%	0.471	48%	0.482	S	S	.	.			trans	-77.6	67.8	173.8	-71	-18.6	0	0	0	105.8	A568 D572	A568-N570 PolarHBondContact O-N 3.01Å; N570-D572 VanDerWaalsContact C-N 3.28Å; N570-D572 PolarHBondContact O-N 3.24Å
571	G	48.8	Very low	51.8	Low	26 Å²	26	77.9 Å²	77.9	27%	0.268	48%	0.476	S	S	.	.			trans	-60	85.4	-177.6	0	0	0	0	0	112	D569 L573	D569-G571 PolarHBondContact O-N 3.42Å; G571-L573 WeakPolarHBondContact O-CB 3.39Å; G571-L573 WeakPolarHBondContact O-CD1 3.46Å; G571-L573 WeakPolarHBondContact O-CG 3.3Å; G571-L573 PolarHBondContact O-N 3.32Å
572	D	53.2	Low	53	Low	148 Å²	148	76.2 Å²	76.2	79%	0.791	46%	0.455	S	S	*	.	S	Bend	trans	40.5	20.7	-179.8	-74.3	-25.1	0	0	0	115.8	N570 K917	N570-D572 VanDerWaalsContact C-N 3.28Å; N570-D572 PolarHBondContact O-N 3.24Å; D572-K917 PolarHBondContact O-NZ 3.4Å
573	L	59.7	Low	54.5	Low	15 Å²	15	75 Å²	75	8%	0.079	43%	0.433	C	S	.	.			trans	-108.1	105.7	-172.1	-94	144.4	0	0	0	106.1	G571 L575 K917 F918	G571-L573 WeakPolarHBondContact O-CB 3.39Å; G571-L573 WeakPolarHBondContact O-CD1 3.46Å; G571-L573 WeakPolarHBondContact O-CG 3.3Å; G571-L573 PolarHBondContact O-N 3.32Å; L573-L575 HydrophobicContact CB-CD2 4.5Å; L573-L575 HydrophobicContact CB-CG 4.49Å; L573-L575 PolarHBondContact O-N 3.17Å; L573-K917 HydrophobicContact CD1-CB 3.76Å; L573-K917 HydrophobicContact CD1-CD 4.18Å; L573-K917 HydrophobicContact CD1-CG 4.14Å; L573-K917 HydrophobicContact CD2-CB 4.15Å; L573-K917 HydrophobicContact CD2-CD 4.31Å; L573-K917 HydrophobicContact CD2-CG 3.86Å; L573-K917 HydrophobicContact CG-CB 4.12Å; L573-K917 HydrophobicContact CG-CD 3.85Å; L573-K917 HydrophobicContact CG-CG 3.92Å; L573-F918 HydrophobicContact CD1-CD2 3.82Å; L573-F918 HydrophobicContact CD1-CE2 4.26Å
574	D	64.1	Low	56.2	Low	99 Å²	99	74.9 Å²	74.9	53%	0.529	43%	0.426	S	S	.	.			trans	-56.8	107.1	164.8	-175.4	1.2	0	0	0	107.3	G576 Q651	D574-G576 PolarHBondContact O-N 3.12Å; D574-G576 VanDerWaalsContact O-N 3.13Å; D574-G576 PolarHBondContact OD1-N 3.42Å; D574-Q651 WeakPolarHBondContact O-CG 3.48Å; D574-Q651 PolarHBondContact O-NE2 2.72Å
575	L	63.2	Low	58.3	Low	20 Å²	20	72.2 Å²	72.2	11%	0.105	42%	0.417	C	S	.	.			trans	-28.3	-54.1	160.9	-30	157	0	0	0	110.6	L573 L654 P687 H751 D752	L573-L575 HydrophobicContact CB-CD2 4.5Å; L573-L575 HydrophobicContact CB-CG 4.49Å; L573-L575 PolarHBondContact O-N 3.17Å; L575-L654 VanDerWaalsContact C-CD1 3.42Å; L575-L654 HydrophobicContact CB-CD1 4.39Å; L575-L654 WeakPolarHBondContact O-CD1 3.36Å; L575-L654 WeakPolarHBondContact O-CD2 3.27Å; L575-L654 WeakPolarHBondContact O-CG 3.26Å; L575-P687 HydrophobicContact CB-CG 4.18Å; L575-H751 HydrophobicContact CD1-CB 3.51Å; L575-D752 HydrophobicContact CD1-CB 4.1Å; L575-D752 HydrophobicContact CD2-CB 4.27Å
576	G	59.6	Low	60.3	Low	5 Å²	5	67.6 Å²	67.6	5%	0.052	39%	0.388	C	S	.	.	S	Bend	trans	97.5	163.6	-130.5	0	0	0	0	0	109.3	D574 V578	D574-G576 PolarHBondContact O-N 3.12Å; D574-G576 VanDerWaalsContact O-N 3.13Å; D574-G576 PolarHBondContact OD1-N 3.42Å; G576-V578 PolarHBondContact O-N 2.89Å
577	P	56.3	Low	62.2	Low	89 Å²	89	63.9 Å²	63.9	58%	0.578	37%	0.37	S	S	*	.			trans	-62.4	126.1	-176.5	24.3	-32	0	0	0	110.5	E579	P577-E579 PolarHBondContact O-N 3.35Å
578	V	61.3	Low	64.3	Low	77 Å²	77	61.8 Å²	61.8	47%	0.467	36%	0.355	S	S	.	.			trans	-56.4	122.7	159.4	-175	0	0	0	0	105.6	G576 T580 G685	G576-V578 PolarHBondContact O-N 2.89Å; V578-T580 PolarHBondContact O-N 3.36Å; V578-G685 VanDerWaalsContact CG2-O 3.25Å; V578-G685 WeakPolarHBondContact CG2-O 3.33Å
579	E	57.5	Low	66.1	Low	33 Å²	33	63.2 Å²	63.2	15%	0.154	36%	0.356	C	S	.	.			trans	-62.2	107.3	-178.6	-62.1	-147.2	152.4	0	0	107.6	P577 E581 R637 R660 Q662	P577-E579 PolarHBondContact O-N 3.35Å; E579-E581 PolarHBondContact O-N 2.9Å; E579-R637 IonicContact OE1-CZ 2.66Å; E579-R637 IonicContact OE1-NH1 2.81Å; E579-R637 PolarHBondContact OE1-NH1 3.08Å; E579-R637 IonicContact OE1-NH2 3.79Å; E579-R637 PolarHBondContact OE1-NH2 3.23Å; E579-R660 IonicContact OE1-NE 2.74Å; E579-R660 IonicContact OE1-NH2 3.09Å; E579-R660 IonicContact OE2-CZ 2.77Å; E579-R660 IonicContact OE2-NE 2.79Å; E579-R660 IonicContact OE2-NH2 3.58Å; E579-R660 PolarHBondContact OE2-NH2 3.12Å; E579-Q662 PolarHBondContact OE2-NE2 3.16Å
580	T	50.1	Low	67.7	Low	118 Å²	118	63.4 Å²	63.4	72%	0.724	36%	0.356	S	S	*	.			trans	-76.4	0.3	170	46.2	0	0	0	0	111.4	V578	V578-T580 PolarHBondContact O-N 3.36Å
581	E	57.8	Low	69.2	Low	63 Å²	63	62.8 Å²	62.8	29%	0.294	35%	0.347	S	S	.	.	S	Bend	trans	-89.4	152.4	178.8	-66.7	-174.6	-166	0	0	110.7	E579 R660	E579-E581 PolarHBondContact O-N 2.9Å; E581-R660 IonicContact OE2-CZ 3.97Å; E581-R660 IonicContact OE2-NH1 3.34Å; E581-R660 PolarHBondContact OE2-NH1 3.33Å; E581-R660 IonicContact OE2-NH2 2.65Å; E581-R660 PolarHBondContact OE2-NH2 3.02Å
582	P	67.3	Low	70.7	Confident	78 Å²	78	62.8 Å²	62.8	51%	0.506	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-60.4	154.5	177.4	25.9	-34.7	0	0	0	111.9	Y584	P582-Y584 PolarHBondContact O-N 3.19Å
583	P	80.6	Confident	72	Confident	57 Å²	57	58.9 Å²	58.9	37%	0.37	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-48.4	132.7	175.1	-28	34.8	0	0	0	112.6	N690 P714	P583-N690 WeakPolarHBondContact CB-ND2 3.41Å; P583-N690 WeakPolarHBondContact CB-O 3.28Å; P583-N690 VanDerWaalsContact CG-O 3.28Å; P583-N690 WeakPolarHBondContact CG-O 3.42Å; P583-P714 HydrophobicContact CG-CG 4.25Å
584	Y	81.1	Confident	73.1	Confident	50 Å²	50	61.6 Å²	61.6	20%	0.196	33%	0.334	C	S	.	.			trans	-106.7	111.1	-179.6	177	-95.3	0	0	0	110.2	P582 R660 Q662 N690	P582-Y584 PolarHBondContact O-N 3.19Å; Y584-R660 HydrophobicContact CD1-CG 4.29Å; Y584-R660 WeakPolarHBondContact CE1-O 3.39Å; Y584-Q662 PolarHBondContact O-OE1 3.42Å; Y584-N690 PolarHBondContact N-ND2 3.06Å; Y584-N690 PolarHBondContact O-ND2 2.94Å
585	A	87.4	Confident	74.1	Confident	39 Å²	39	58.6 Å²	58.6	32%	0.322	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-70	144.3	174.8	0	0	0	0	0	112.1	E736	A585-E736 HydrophobicContact CB-CB 3.82Å
586	S	89.3	Confident	75	Confident	7 Å²	7	58.2 Å²	58.2	5%	0.049	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-63.4	134	169.3	-77.3	0	0	0	0	110.1	R588 E736 E738	S586-R588 PolarHBondContact O-N 3.23Å; S586-E736 WeakPolarHBondContact CB-O 3.36Å; S586-E736 PolarHBondContact N-O 3.34Å; S586-E738 PolarHBondContact OG-N 3.2Å; S586-E738 VanDerWaalsContact OG-N 3.11Å
587	P	84.6	Confident	76.3	Confident	46 Å²	46	61 Å²	61	30%	0.299	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-57.7	132.8	172.7	-24.5	34.4	0	0	0	111.7	L590	P587-L590 HydrophobicContact CB-CD1 3.75Å; P587-L590 HydrophobicContact CB-CD2 4.02Å; P587-L590 HydrophobicContact CB-CG 3.9Å
588	R	87.4	Confident	77.9	Confident	93 Å²	93	61 Å²	61	35%	0.351	33%	0.331	S	S	.	.			trans	-107.8	144.8	-176.9	-62	176.4	62.3	165.7	-0.4	111.4	E547 S586 L590 P615	E547-R588 IonicContact OE1-CZ 2.93Å; E547-R588 IonicContact OE1-NH1 3.69Å; E547-R588 PolarHBondContact OE1-NH1 3.34Å; E547-R588 IonicContact OE1-NH2 3.17Å; E547-R588 PolarHBondContact OE1-NH2 3.28Å; E547-R588 VanDerWaalsContact OE1-NH2 3.09Å; E547-R588 IonicContact OE2-CZ 3.79Å; E547-R588 VanDerWaalsContact OE2-CZ 3.29Å; E547-R588 IonicContact OE2-NH1 2.69Å; E547-R588 PolarHBondContact OE2-NH1 3.36Å; E547-R588 IonicContact OE2-NH2 2.73Å; E547-R588 PolarHBondContact OE2-NH2 2.84Å; S586-R588 PolarHBondContact O-N 3.23Å; R588-L590 VanDerWaalsContact C-N 3.27Å; R588-L590 PolarHBondContact O-N 3.02Å; R588-P615 HydrophobicContact CB-CB 4.21Å; R588-P615 HydrophobicContact CG-CB 4.11Å
589	Y	85.7	Confident	79.1	Confident	52 Å²	52	59.5 Å²	59.5	20%	0.204	32%	0.321	C	S	.	.			trans	59.3	26.4	171.2	-53.4	-71.6	0	0	0	115.8	P544 R591 N592 L613 P615	P544-Y589 HydrophobicContact CB-CE1 4.3Å; Y589-R591 PolarHBondContact O-N 3.44Å; Y589-N592 PolarHBondContact O-N 2.98Å; Y589-N592 PolarHBondContact O-OD1 3.05Å; Y589-L613 HydrophobicContact CD1-CD2 3.68Å; Y589-L613 HydrophobicContact CD1-CG 3.84Å; Y589-L613 HydrophobicContact CE1-CD2 4Å; Y589-L613 HydrophobicContact CE1-CG 3.96Å; Y589-P615 HydrophobicContact CE1-CB 4.24Å; Y589-P615 HydrophobicContact CE1-CG 4.19Å; Y589-P615 HydrophobicContact CE2-CB 4.37Å; Y589-P615 PolarHBondContact N-O 2.79Å
590	L	80.1	Confident	80.5	Confident	129 Å²	129	60.2 Å²	60.2	68%	0.675	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-26.3	-176.7	-71	179.8	0	0	0	114.8	P587 R588	P587-L590 HydrophobicContact CB-CD1 3.75Å; P587-L590 HydrophobicContact CB-CD2 4.02Å; P587-L590 HydrophobicContact CB-CG 3.9Å; R588-L590 VanDerWaalsContact C-N 3.27Å; R588-L590 PolarHBondContact O-N 3.02Å
591	R	79.1	Confident	82.5	Confident	75 Å²	75	60.8 Å²	60.8	28%	0.283	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	10.4	-174.4	-62	176.3	66.1	-149.1	0.1	113.6	Y589 F593 T594 L595 D620	Y589-R591 PolarHBondContact O-N 3.44Å; R591-F593 PolarHBondContact O-N 2.81Å; R591-T594 PolarHBondContact O-N 3.04Å; R591-T594 VanDerWaalsContact O-N 3.09Å; R591-T594 PolarHBondContact O-OG1 2.76Å; R591-L595 VanDerWaalsContact O-CB 3.24Å; R591-L595 WeakPolarHBondContact O-CB 3.31Å; R591-L595 PolarHBondContact O-N 3Å; R591-D620 IonicContact CZ-OD1 3.78Å; R591-D620 IonicContact NH1-OD1 3.58Å; R591-D620 PolarHBondContact NH1-OD1 2.7Å
592	N	78.7	Confident	84	Confident	25 Å²	25	62.5 Å²	62.5	13%	0.134	32%	0.317	C	S	.	.	H	α-helix	trans	-52.5	-49.9	-169	58	-8.6	0	0	0	114.9	Y589 L613	Y589-N592 PolarHBondContact O-N 2.98Å; Y589-N592 PolarHBondContact O-OD1 3.05Å; N592-L613 HydrophobicContact CB-CD1 3.9Å; N592-L613 HydrophobicContact CB-CD2 3.55Å; N592-L613 HydrophobicContact CB-CG 4.32Å
593	F	81.1	Confident	85.2	Confident	67 Å²	67	60.1 Å²	60.1	29%	0.294	30%	0.302	S	S	.	.	H	α-helix	trans	-74.3	-26.5	-179.2	-68.5	-76.1	0	0	0	113.1	P156 T191 P541 R591	P156-F593 HydrophobicContact CG-CE2 4.42Å; P156-F593 HydrophobicContact CG-CZ 4.47Å; T191-F593 HydrophobicContact CG2-CE1 4.26Å; T191-F593 HydrophobicContact CG2-CZ 4.17Å; P541-F593 HydrophobicContact CG-CD1 3.83Å; P541-F593 HydrophobicContact CG-CE1 3.82Å; R591-F593 PolarHBondContact O-N 2.81Å
594	T	83.8	Confident	85.9	Confident	71 Å²	71	57.4 Å²	57.4	44%	0.436	28%	0.284	S	S	.	.	H	α-helix	trans	-86.2	-29.2	178.9	52.1	0	0	0	0	112.8	R591 T596 V597 T598	R591-T594 PolarHBondContact O-N 3.04Å; R591-T594 VanDerWaalsContact O-N 3.09Å; R591-T594 PolarHBondContact O-OG1 2.76Å; T594-T596 VanDerWaalsContact C-N 3.3Å; T594-T596 PolarHBondContact O-N 3.45Å; T594-V597 CarbonylContact O-C 3.22Å; T594-V597 WeakPolarHBondContact O-CA 3.31Å; T594-V597 PolarHBondContact O-N 3.34Å; T594-T598 PolarHBondContact O-N 2.75Å; T594-T598 PolarHBondContact O-OG1 3.21Å
595	L	83.4	Confident	86.6	Confident	36 Å²	36	55.3 Å²	55.3	19%	0.188	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-36.7	-171.7	-171.6	139.4	0	0	0	112.2	R591 V597 D599	R591-L595 VanDerWaalsContact O-CB 3.24Å; R591-L595 WeakPolarHBondContact O-CB 3.31Å; R591-L595 PolarHBondContact O-N 3Å; L595-V597 PolarHBondContact O-N 3.36Å; L595-D599 HydrophobicContact CG-CB 4.21Å; L595-D599 PolarHBondContact O-N 3.09Å
596	T	83.6	Confident	86.9	Confident	13 Å²	13	56.1 Å²	56.1	8%	0.08	28%	0.28	C	S	.	.	H	α-helix	trans	-66.1	-15.3	175.6	-56.3	0	0	0	0	112.7	T536 T594 F600	T536-T596 HydrophobicContact CG2-CG2 4.19Å; T594-T596 VanDerWaalsContact C-N 3.3Å; T594-T596 PolarHBondContact O-N 3.45Å; T596-F600 WeakPolarHBondContact O-CB 3.4Å
597	V	86.2	Confident	87	Confident	63 Å²	63	57 Å²	57	38%	0.382	29%	0.287	S	S	.	.	H	α-helix	trans	-105.7	-42.4	177.2	-176.3	0	0	0	0	111.6	Q539 T594 L595 F600	Q539-V597 HydrophobicContact CB-CG2 3.97Å; Q539-V597 HydrophobicContact CG-CG2 3.84Å; T594-V597 CarbonylContact O-C 3.22Å; T594-V597 WeakPolarHBondContact O-CA 3.31Å; T594-V597 PolarHBondContact O-N 3.34Å; L595-V597 PolarHBondContact O-N 3.36Å; V597-F600 WeakPolarHBondContact O-CD1 3.47Å
598	T	89.3	Confident	87.5	Confident	89 Å²	89	55.8 Å²	55.8	55%	0.546	28%	0.28	S	S	.	.	H	α-helix	trans	-86.5	-27.2	-172.5	61.9	0	0	0	0	113.9	T594	T594-T598 PolarHBondContact O-N 2.75Å; T594-T598 PolarHBondContact O-OG1 3.21Å
599	D	86.8	Confident	87.8	Confident	46 Å²	46	51.8 Å²	51.8	25%	0.246	27%	0.267	C	S	.	.	S	Bend	trans	-128.4	19.2	-171	-157.5	31.5	0	0	0	112.7	L595 Y601 R602 S603	L595-D599 HydrophobicContact CG-CB 4.21Å; L595-D599 PolarHBondContact O-N 3.09Å; D599-Y601 PolarHBondContact O-N 3.01Å; D599-R602 PolarHBondContact O-N 3.1Å; D599-R602 WeakPolarHBondContact OD1-CB 3.48Å; D599-S603 PolarHBondContact O-N 2.84Å
600	F	88.3	Confident	88.2	Confident	48 Å²	48	49.7 Å²	49.7	21%	0.211	26%	0.26	C	S	.	.	H	α-helix	trans	-60.9	-43.1	-174.5	76.4	-88.6	0	0	0	112.1	M475 T536 T596 V597 R602 S603 W604	M475-F600 HydrophobicContact SD-CD2 3.85Å; M475-F600 HydrophobicContact SD-CE2 4.04Å; T536-F600 HydrophobicContact CG2-CB 4.01Å; T596-F600 WeakPolarHBondContact O-CB 3.4Å; V597-F600 WeakPolarHBondContact O-CD1 3.47Å; F600-R602 VanDerWaalsContact C-N 3.31Å; F600-R602 PolarHBondContact O-N 2.75Å; F600-S603 WeakPolarHBondContact CA-OG 3.15Å; F600-S603 PolarHBondContact O-N 2.83Å; F600-S603 VanDerWaalsContact O-N 3.12Å; F600-S603 PolarHBondContact O-OG 2.81Å; F600-W604 VanDerWaalsContact O-CD1 3.26Å; F600-W604 PolarHBondContact O-N 3.3Å
601	Y	90.3	Very high	88.8	Confident	129 Å²	129	45.5 Å²	45.5	51%	0.506	24%	0.236	S	C	.	.	H	α-helix	trans	-55.1	-46.9	178.6	-79.9	-66.2	0	0	0	112.1	D599 W604 N605	D599-Y601 PolarHBondContact O-N 3.01Å; Y601-W604 PolarHBondContact O-N 3.48Å; Y601-N605 WeakPolarHBondContact O-CB 3.35Å; Y601-N605 PolarHBondContact O-N 3.39Å; Y601-N605 VanDerWaalsContact O-N 3.1Å; Y601-N605 PolarHBondContact O-ND2 3.46Å
602	R	91	Very high	89.5	Confident	99 Å²	99	45.9 Å²	45.9	37%	0.374	24%	0.241	S	C	.	.	H	α-helix	trans	-65.3	-44.4	177.6	-171	-177.5	-177.3	174.2	0.7	111.6	D599 F600 W604 N605 S606 F619	D599-R602 PolarHBondContact O-N 3.1Å; D599-R602 WeakPolarHBondContact OD1-CB 3.48Å; F600-R602 VanDerWaalsContact C-N 3.31Å; F600-R602 PolarHBondContact O-N 2.75Å; R602-W604 PolarHBondContact O-N 3.48Å; R602-N605 PolarHBondContact O-N 3Å; R602-S606 VanDerWaalsContact O-CB 3.31Å; R602-S606 WeakPolarHBondContact O-CB 3.41Å; R602-S606 PolarHBondContact O-N 2.92Å; R602-F619 VanDerWaalsContact NH2-CB 3.31Å
603	S	92.1	Very high	90.1	Very high	28 Å²	28	45.4 Å²	45.4	20%	0.196	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-31.5	-180	72.9	0	0	0	0	113.4	D599 F600 G609	D599-S603 PolarHBondContact O-N 2.84Å; F600-S603 WeakPolarHBondContact CA-OG 3.15Å; F600-S603 PolarHBondContact O-N 2.83Å; F600-S603 VanDerWaalsContact O-N 3.12Å; F600-S603 PolarHBondContact O-OG 2.81Å; S603-G609 CarbonylContact O-C 3.58Å; S603-G609 WeakPolarHBondContact O-CA 3.44Å
604	W	95.4	Very high	90.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-85.1	-22.1	177.8	-82.1	82.8	0	0	0	113.4	M475 L476 Y519 T529 A532 M533 T536 F600 Y601 R602 P610	M475-W604 HydrophobicContact CB-CB 4.31Å; M475-W604 HydrophobicContact CB-CD2 3.51Å; M475-W604 HydrophobicContact CB-CE3 3.58Å; M475-W604 HydrophobicContact CB-CG 3.86Å; M475-W604 HydrophobicContact CB-CZ3 4.12Å; M475-W604 HydrophobicContact CG-CD2 3.98Å; M475-W604 HydrophobicContact CG-CE3 4.23Å; M475-W604 HydrophobicContact CG-CG 4.49Å; M475-W604 HydrophobicContact CG-CH2 4.4Å; M475-W604 HydrophobicContact CG-CZ2 4.15Å; M475-W604 HydrophobicContact CG-CZ3 4.42Å; L476-W604 HydrophobicContact CD2-CE3 3.85Å; Y519-W604 HydrophobicContact CD1-CE3 4.49Å; Y519-W604 HydrophobicContact CD1-CZ3 4.23Å; Y519-W604 AromaticContact CE1-CE3 3.86Å; Y519-W604 HydrophobicContact CE1-CE3 3.86Å; Y519-W604 AromaticContact CE1-CZ3 3.95Å; Y519-W604 HydrophobicContact CE1-CZ3 3.95Å; Y519-W604 WeakPolarHBondContact CE2-O 3.44Å; Y519-W604 VanDerWaalsContact CZ-O 3.3Å; Y519-W604 VanDerWaalsContact OH-C 3.25Å; Y519-W604 WeakPolarHBondContact OH-CA 3.39Å; Y519-W604 PolarHBondContact OH-O 2.78Å; T529-W604 HydrophobicContact CG2-CH2 3.97Å; T529-W604 HydrophobicContact CG2-CZ3 3.74Å; A532-W604 HydrophobicContact CB-CH2 4.14Å; A532-W604 HydrophobicContact CB-CZ2 4Å; M533-W604 HydrophobicContact CB-CH2 3.73Å; M533-W604 HydrophobicContact CB-CZ2 4.11Å; M533-W604 HydrophobicContact CG-CH2 4.06Å; M533-W604 HydrophobicContact CG-CZ2 4.42Å; T536-W604 PolarHBondContact OG1-NE1 2.68Å; F600-W604 VanDerWaalsContact O-CD1 3.26Å; F600-W604 PolarHBondContact O-N 3.3Å; Y601-W604 PolarHBondContact O-N 3.48Å; R602-W604 PolarHBondContact O-N 3.48Å; W604-P610 HydrophobicContact CD2-CB 4.4Å; W604-P610 HydrophobicContact CD2-CG 3.75Å; W604-P610 HydrophobicContact CE3-CG 4.22Å; W604-P610 HydrophobicContact CG-CB 4.34Å; W604-P610 HydrophobicContact CG-CG 4.09Å; W604-P610 HydrophobicContact CH2-CG 4.36Å; W604-P610 HydrophobicContact CZ2-CG 3.9Å
605	N	95.6	Very high	90.9	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.032	21%	0.21	C	C	.	.	H	α-helix	trans	-114.2	10.5	-174.2	-64.2	-76.2	0	0	0	113.3	M475 Q477 Q511 Y601 R602	M475-N605 PolarHBondContact O-ND2 3.13Å; Q477-N605 PolarHBondContact N-OD1 2.82Å; Q511-N605 PolarHBondContact NE2-O 2.69Å; Y601-N605 WeakPolarHBondContact O-CB 3.35Å; Y601-N605 PolarHBondContact O-N 3.39Å; Y601-N605 VanDerWaalsContact O-N 3.1Å; Y601-N605 PolarHBondContact O-ND2 3.46Å; R602-N605 PolarHBondContact O-N 3Å
606	S	93.8	Very high	91.2	Very high	56 Å²	56	38.9 Å²	38.9	39%	0.392	20%	0.203	S	C	.	.	S	Bend	trans	-137.2	143.8	175.7	-63	0	0	0	0	111.1	F514 R602 G609	F514-S606 VanDerWaalsContact CZ-C 3.43Å; R602-S606 VanDerWaalsContact O-CB 3.31Å; R602-S606 WeakPolarHBondContact O-CB 3.41Å; R602-S606 PolarHBondContact O-N 2.92Å; S606-G609 PolarHBondContact O-N 3.35Å
607	A	92.2	Very high	91.5	Very high	25 Å²	25	39.5 Å²	39.5	21%	0.207	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	140	176.7	0	0	0	0	0	111.8	F514 I843	F514-A607 HydrophobicContact CD2-CB 4.11Å; F514-A607 VanDerWaalsContact CE2-CA 3.49Å; F514-A607 HydrophobicContact CE2-CB 3.89Å; A607-I843 HydrophobicContact CB-CD1 3.49Å; A607-I843 VanDerWaalsContact CB-CD1 3.49Å
608	P	93.4	Very high	91.8	Very high	22 Å²	22	37.1 Å²	37.1	14%	0.143	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.5	10.1	10.9	39.1	-40.7	0	0	0	115.4	F614 Y808 L812 V816	P608-F614 HydrophobicContact CG-CE2 3.95Å; P608-F614 HydrophobicContact CG-CZ 3.8Å; P608-Y808 WeakPolarHBondContact CD-OH 3.09Å; P608-L812 HydrophobicContact CB-CD2 3.96Å; P608-L812 HydrophobicContact CG-CD2 3.72Å; P608-V816 HydrophobicContact CB-CB 4.38Å; P608-V816 HydrophobicContact CB-CG1 3.73Å; P608-V816 HydrophobicContact CB-CG2 3.77Å; P608-V816 HydrophobicContact CG-CG2 4.46Å
609	G	93.6	Very high	91.9	Very high	8 Å²	8	35.5 Å²	35.5	8%	0.082	18%	0.178	C	C	.	.			trans	92.5	178.9	-170.8	0	0	0	0	0	113.6	S603 S606 F611	S603-G609 CarbonylContact O-C 3.58Å; S603-G609 WeakPolarHBondContact O-CA 3.44Å; S606-G609 PolarHBondContact O-N 3.35Å; G609-F611 VanDerWaalsContact C-N 3.31Å; G609-F611 PolarHBondContact O-N 2.82Å
610	P	94.1	Very high	91.8	Very high	8 Å²	8	36 Å²	36	5%	0.052	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	15.2	-167.5	37.6	-40.2	0	0	0	113.7	Y519 A532 R535 W604	Y519-P610 HydrophobicContact CE1-CG 4.44Å; Y519-P610 WeakPolarHBondContact OH-CD 3.34Å; A532-P610 HydrophobicContact CB-CG 4.21Å; R535-P610 PolarHBondContact NH2-O 2.84Å; W604-P610 HydrophobicContact CD2-CB 4.4Å; W604-P610 HydrophobicContact CD2-CG 3.75Å; W604-P610 HydrophobicContact CE3-CG 4.22Å; W604-P610 HydrophobicContact CG-CB 4.34Å; W604-P610 HydrophobicContact CG-CG 4.09Å; W604-P610 HydrophobicContact CH2-CG 4.36Å; W604-P610 HydrophobicContact CZ2-CG 3.9Å
611	F	93.8	Very high	91.6	Very high	42 Å²	42	38.3 Å²	38.3	18%	0.184	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-24.5	-165.8	-53.8	-63.1	0	0	0	114.8	T518 Y519 N528 A532 G609	T518-F611 HydrophobicContact CG2-CE2 3.53Å; T518-F611 HydrophobicContact CG2-CZ 4.08Å; Y519-F611 AromaticContact CD1-CZ 3.93Å; Y519-F611 HydrophobicContact CD1-CZ 3.93Å; Y519-F611 HydrophobicContact CE1-CE2 4.33Å; Y519-F611 AromaticContact CE1-CZ 3.77Å; Y519-F611 HydrophobicContact CE1-CZ 3.77Å; N528-F611 HydrophobicContact CB-CD1 4.12Å; N528-F611 HydrophobicContact CB-CE1 4Å; A532-F611 HydrophobicContact CB-CD1 4.04Å; A532-F611 HydrophobicContact CB-CE1 4.08Å; G609-F611 VanDerWaalsContact C-N 3.31Å; G609-F611 PolarHBondContact O-N 2.82Å
612	H	92.8	Very high	91.1	Very high	83 Å²	83	38.5 Å²	38.5	38%	0.384	22%	0.215	S	C	.	.			trans	-130.5	145.4	-175.3	-61.3	-65.7	0	0	0	112.5	I545 F614	I545-H612 HydrophobicContact CB-CB 4Å; I545-H612 HydrophobicContact CD1-CB 4.23Å; I545-H612 HydrophobicContact CG1-CB 4.37Å; H612-F614 HydrophobicContact CB-CE2 4.29Å; H612-F614 HydrophobicContact CB-CZ 4.41Å
613	L	91.2	Very high	90.5	Very high	15 Å²	15	38.5 Å²	38.5	8%	0.079	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-94.2	118.6	171.4	176.9	70.2	0	0	0	109.8	P541 A542 A543 P544 I545 Y589 N592	P541-L613 HydrophobicContact CB-CD2 4.49Å; A542-L613 HydrophobicContact CB-CB 4.18Å; A542-L613 VanDerWaalsContact O-CB 3.28Å; A542-L613 WeakPolarHBondContact O-CB 3.36Å; A543-L613 PolarHBondContact O-N 3.46Å; P544-L613 WeakPolarHBondContact CA-O 3.45Å; I545-L613 PolarHBondContact N-O 2.76Å; Y589-L613 HydrophobicContact CD1-CD2 3.68Å; Y589-L613 HydrophobicContact CD1-CG 3.84Å; Y589-L613 HydrophobicContact CE1-CD2 4Å; Y589-L613 HydrophobicContact CE1-CG 3.96Å; N592-L613 HydrophobicContact CB-CD1 3.9Å; N592-L613 HydrophobicContact CB-CD2 3.55Å; N592-L613 HydrophobicContact CB-CG 4.32Å
614	F	91.8	Very high	90	Very high	20 Å²	20	40.5 Å²	40.5	9%	0.088	24%	0.235	C	C	.	.			trans	-87.4	145.6	177	-62.9	-90.4	0	0	0	111.1	I545 P608 H612 H616 T617 Y808 Y811 L812	I545-F614 HydrophobicContact CD1-CD1 4.23Å; I545-F614 HydrophobicContact CD1-CE1 3.46Å; I545-F614 VanDerWaalsContact CD1-CE1 3.46Å; I545-F614 HydrophobicContact CD1-CZ 3.87Å; I545-F614 HydrophobicContact CG2-CD1 3.96Å; I545-F614 HydrophobicContact CG2-CE1 4.32Å; P608-F614 HydrophobicContact CG-CE2 3.95Å; P608-F614 HydrophobicContact CG-CZ 3.8Å; H612-F614 HydrophobicContact CB-CE2 4.29Å; H612-F614 HydrophobicContact CB-CZ 4.41Å; F614-H616 VanDerWaalsContact C-N 3.26Å; F614-H616 PolarHBondContact O-N 3.26Å; F614-T617 HydrophobicContact CB-CG2 4.28Å; F614-Y808 HydrophobicContact CB-CD2 4.26Å; F614-Y808 HydrophobicContact CB-CE2 4.46Å; F614-Y808 AromaticContact CD1-CD2 3.63Å; F614-Y808 HydrophobicContact CD1-CD2 3.63Å; F614-Y808 AromaticContact CD1-CE2 3.72Å; F614-Y808 HydrophobicContact CD1-CE2 3.72Å; F614-Y808 HydrophobicContact CD2-CD2 4.38Å; F614-Y808 AromaticContact CD2-CE2 3.79Å; F614-Y808 HydrophobicContact CD2-CE2 3.79Å; F614-Y808 HydrophobicContact CE1-CD2 4.03Å; F614-Y808 AromaticContact CE1-CE2 3.8Å; F614-Y808 HydrophobicContact CE1-CE2 3.8Å; F614-Y808 AromaticContact CE2-CE2 3.9Å; F614-Y808 HydrophobicContact CE2-CE2 3.9Å; F614-Y808 AromaticContact CG-CD2 3.83Å; F614-Y808 HydrophobicContact CG-CD2 3.83Å; F614-Y808 AromaticContact CG-CE2 3.71Å; F614-Y808 HydrophobicContact CG-CE2 3.71Å; F614-Y808 AromaticContact CZ-CE2 3.92Å; F614-Y808 HydrophobicContact CZ-CE2 3.92Å; F614-Y811 HydrophobicContact CD1-CD2 4.19Å; F614-Y811 HydrophobicContact CD1-CG 4.29Å; F614-Y811 HydrophobicContact CE1-CG 4.33Å; F614-L812 HydrophobicContact CE1-CD2 4.22Å; F614-L812 HydrophobicContact CZ-CD2 4.03Å
615	P	90.3	Very high	89.3	Confident	6 Å²	6	44.8 Å²	44.8	4%	0.039	26%	0.264	C	S	.	.	S	Bend	trans	-58.7	-36.9	175.6	-22.2	29.8	0	0	0	113.9	R588 Y589 Y811	R588-P615 HydrophobicContact CB-CB 4.21Å; R588-P615 HydrophobicContact CG-CB 4.11Å; Y589-P615 HydrophobicContact CE1-CB 4.24Å; Y589-P615 HydrophobicContact CE1-CG 4.19Å; Y589-P615 HydrophobicContact CE2-CB 4.37Å; Y589-P615 PolarHBondContact N-O 2.79Å; P615-Y811 HydrophobicContact CG-CE2 4.44Å
616	H	89.3	Confident	88.6	Confident	11 Å²	11	49.1 Å²	49.1	5%	0.051	28%	0.284	C	S	.	.			trans	-153.4	153	-176.7	48.3	38.1	0	0	0	109	F614 E738 H806 K807	F614-H616 VanDerWaalsContact C-N 3.26Å; F614-H616 PolarHBondContact O-N 3.26Å; H616-E738 HydrophobicContact CB-CG 3.82Å; H616-E738 WeakPolarHBondContact CD2-CG 3.47Å; H616-H806 AromaticContact CE1-CE1 3.96Å; H616-H806 AromaticContact CG-CE1 3.85Å; H616-H806 AromaticContact ND1-CE1 3.33Å; H616-H806 PolarHBondContact ND1-CE1 3.42Å; H616-H806 VanDerWaalsContact ND1-CE1 3.33Å; H616-K807 VanDerWaalsContact CE1-CB 3.48Å; H616-K807 WeakPolarHBondContact CE1-CB 3.39Å
617	T	90.9	Very high	87.9	Confident	25 Å²	25	47 Å²	47	15%	0.153	27%	0.271	C	S	.	.			trans	-130.4	146.2	176.2	72.7	0	0	0	0	110.5	F614 F619 D620	F614-T617 HydrophobicContact CB-CG2 4.28Å; T617-F619 PolarHBondContact O-N 3.24Å; T617-D620 PolarHBondContact N-OD2 3.47Å; T617-D620 PolarHBondContact O-N 2.84Å; T617-D620 VanDerWaalsContact O-OD2 3.09Å; T617-D620 PolarHBondContact OG1-OD2 2.94Å; T617-D620 VanDerWaalsContact OG1-OD2 3.1Å
618	P	92.9	Very high	87.1	Confident	13 Å²	13	47.5 Å²	47.5	8%	0.084	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	1.3	177.1	31	-35.7	0	0	0	112.8	R765 D766 H806 Y808	P618-R765 HydrophobicContact CB-CB 4.14Å; P618-R765 WeakPolarHBondContact CB-O 3.48Å; P618-D766 HydrophobicContact CB-CB 4.34Å; P618-H806 HydrophobicContact CB-CB 4.32Å; P618-Y808 HydrophobicContact CG-CD1 3.92Å; P618-Y808 HydrophobicContact CG-CE1 4.48Å; P618-Y808 HydrophobicContact CG-CG 4.36Å
619	F	90.1	Very high	86.2	Confident	55 Å²	55	50.7 Å²	50.7	24%	0.241	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	6.7	-171.3	-52.1	-56.6	0	0	0	113.3	R602 T617 D766 Y808 I843	R602-F619 VanDerWaalsContact NH2-CB 3.31Å; T617-F619 PolarHBondContact O-N 3.24Å; F619-D766 HydrophobicContact CD1-CB 4.48Å; F619-D766 HydrophobicContact CE1-CB 4.05Å; F619-Y808 AromaticContact CE2-CE1 4Å; F619-Y808 HydrophobicContact CE2-CE1 4Å; F619-I843 HydrophobicContact CZ-CG2 4.29Å
620	D	84.9	Confident	85.3	Confident	58 Å²	58	57.6 Å²	57.6	31%	0.31	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-62.1	143.7	177	-79	-52.5	0	0	0	111.3	R591 T617	R591-D620 IonicContact CZ-OD1 3.78Å; R591-D620 IonicContact NH1-OD1 3.58Å; R591-D620 PolarHBondContact NH1-OD1 2.7Å; T617-D620 PolarHBondContact N-OD2 3.47Å; T617-D620 PolarHBondContact O-N 2.84Å; T617-D620 VanDerWaalsContact O-OD2 3.09Å; T617-D620 PolarHBondContact OG1-OD2 2.94Å; T617-D620 VanDerWaalsContact OG1-OD2 3.1Å
621	P	83.4	Confident	83.6	Confident	96 Å²	96	60.6 Å²	60.6	62%	0.623	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-66	137.1	-175.5	27	-34.5	0	0	0	111
622	V	80.8	Confident	81.9	Confident	133 Å²	133	60 Å²	60	81%	0.806	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-89.8	135.2	179.1	-174.6	0	0	0	0	109.8
623	L	78.8	Confident	80.2	Confident	98 Å²	98	58.3 Å²	58.3	51%	0.513	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-67	146	175.2	-71.1	172	0	0	0	111.4	A627 F636	L623-A627 HydrophobicContact CB-CB 3.9Å; L623-A627 HydrophobicContact CD1-CB 4.36Å; L623-F636 HydrophobicContact CD1-CE2 4Å; L623-F636 HydrophobicContact CD1-CZ 3.92Å
624	P	82.1	Confident	78.7	Confident	71 Å²	71	59 Å²	59	46%	0.461	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-67.6	160.8	177	32.2	-37.5	0	0	0	111.2	E626 A627	P624-E626 WeakPolarHBondContact CB-OE1 3.42Å; P624-E626 PolarHBondContact O-N 3.41Å; P624-E626 VanDerWaalsContact O-N 3.1Å; P624-A627 HydrophobicContact CG-CB 4.34Å; P624-A627 VanDerWaalsContact O-CB 3.27Å; P624-A627 WeakPolarHBondContact O-CB 3.26Å; P624-A627 PolarHBondContact O-N 2.96Å
625	S	79.8	Confident	77.3	Confident	89 Å²	89	58.7 Å²	58.7	62%	0.622	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.6	-170.7	73.2	0	0	0	0	114	K628	S625-K628 WeakPolarHBondContact O-CD 3.07Å; S625-K628 WeakPolarHBondContact O-CE 3.39Å; S625-K628 WeakPolarHBondContact O-CG 3.41Å
626	E	80.8	Confident	76.3	Confident	97 Å²	97	59.6 Å²	59.6	45%	0.453	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-17.9	179.4	60.7	-85.1	-165.3	0	0	113	P624 K628 F629 L630	P624-E626 WeakPolarHBondContact CB-OE1 3.42Å; P624-E626 PolarHBondContact O-N 3.41Å; P624-E626 VanDerWaalsContact O-N 3.1Å; E626-K628 PolarHBondContact O-N 2.91Å; E626-F629 PolarHBondContact O-N 3.49Å; E626-L630 HydrophobicContact CB-CD1 4.23Å; E626-L630 PolarHBondContact O-N 2.99Å
627	A	79.3	Confident	75.3	Confident	13 Å²	13	62.9 Å²	62.9	11%	0.107	38%	0.375	C	S	.	.	H	α-helix	trans	-58.2	-35.8	-176.8	0	0	0	0	0	112.3	L623 P624 F629 G631 S632	L623-A627 HydrophobicContact CB-CB 3.9Å; L623-A627 HydrophobicContact CD1-CB 4.36Å; P624-A627 HydrophobicContact CG-CB 4.34Å; P624-A627 VanDerWaalsContact O-CB 3.27Å; P624-A627 WeakPolarHBondContact O-CB 3.26Å; P624-A627 PolarHBondContact O-N 2.96Å; A627-F629 PolarHBondContact O-N 2.88Å; A627-F629 VanDerWaalsContact O-N 3.15Å; A627-G631 PolarHBondContact O-N 3.41Å; A627-S632 PolarHBondContact O-N 2.68Å; A627-S632 PolarHBondContact O-OG 3.15Å
628	K	74.3	Confident	74.2	Confident	34 Å²	34	64.1 Å²	64.1	15%	0.148	38%	0.383	C	S	.	.	H	α-helix	trans	-60.6	-19.6	175.4	64.3	-176	155.5	154.8	0	114.8	S625 E626 F636 N657	S625-K628 WeakPolarHBondContact O-CD 3.07Å; S625-K628 WeakPolarHBondContact O-CE 3.39Å; S625-K628 WeakPolarHBondContact O-CG 3.41Å; E626-K628 PolarHBondContact O-N 2.91Å; K628-F636 HydrophobicContact CB-CB 3.95Å; K628-F636 HydrophobicContact CB-CD1 3.36Å; K628-F636 HydrophobicContact CB-CD2 4.35Å; K628-F636 HydrophobicContact CB-CE1 3.85Å; K628-F636 HydrophobicContact CB-CG 3.62Å; K628-N657 HydrophobicContact CD-CB 3.58Å; K628-N657 PolarHBondContact NZ-ND2 2.89Å
629	F	75.4	Confident	73.2	Confident	90 Å²	90	63.6 Å²	63.6	40%	0.395	38%	0.38	S	S	.	.	H	α-helix	trans	-113.5	-36.7	-177.6	-52.1	-58.2	0	0	0	113	E626 A627 P638	E626-F629 PolarHBondContact O-N 3.49Å; A627-F629 PolarHBondContact O-N 2.88Å; A627-F629 VanDerWaalsContact O-N 3.15Å; F629-P638 HydrophobicContact CD1-CB 4.15Å; F629-P638 HydrophobicContact CE1-CB 3.57Å
630	L	74.1	Confident	72.2	Confident	153 Å²	153	63.2 Å²	63.2	80%	0.801	39%	0.392	S	S	*	.	H	α-helix	trans	-109.7	-12.6	-166.1	-63.1	179.1	0	0	0	115.1	E626	E626-L630 HydrophobicContact CB-CD1 4.23Å; E626-L630 PolarHBondContact O-N 2.99Å
631	G	59.5	Low	71.4	Confident	70 Å²	70	63.5 Å²	63.5	72%	0.722	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-152.7	-27.3	-168.5	0	0	0	0	0	118.1	A627	A627-G631 PolarHBondContact O-N 3.41Å
632	S	57.4	Low	70.7	Confident	29 Å²	29	60.5 Å²	60.5	20%	0.203	39%	0.394	C	S	.	.			trans	-133.8	32.5	-177	81.2	0	0	0	0	112.7	A627 T634 F636	A627-S632 PolarHBondContact O-N 2.68Å; A627-S632 PolarHBondContact O-OG 3.15Å; S632-T634 CarbonylContact O-C 3.58Å; S632-T634 PolarHBondContact O-N 3.5Å; S632-F636 VanDerWaalsContact O-CD2 3.24Å; S632-F636 WeakPolarHBondContact O-CD2 3.36Å; S632-F636 WeakPolarHBondContact OG-CE2 3.46Å
633	G	56.8	Low	70.1	Confident	49 Å²	49	58.8 Å²	58.8	51%	0.505	39%	0.394	S	S	.	.			trans	-50.9	-13.2	-171	0	0	0	0	0	116	F636	G633-F636 PolarHBondContact O-N 2.75Å
634	T	59.3	Low	69.4	Low	29 Å²	29	55.9 Å²	55.9	18%	0.178	39%	0.388	C	S	.	.	S	Bend	trans	-67.6	128.4	168.6	50.3	0	0	0	0	113.7	N149 S632 F636	N149-T634 HydrophobicContact CB-CG2 3.48Å; N149-T634 VanDerWaalsContact CB-CG2 3.48Å; N149-T634 WeakPolarHBondContact ND2-CG2 3.47Å; S632-T634 CarbonylContact O-C 3.58Å; S632-T634 PolarHBondContact O-N 3.5Å; T634-F636 PolarHBondContact O-N 3.16Å
635	G	64	Low	68.5	Low	13 Å²	13	54.5 Å²	54.5	13%	0.134	39%	0.387	C	S	.	.	S	Bend	trans	84.4	-20.1	-177.8	0	0	0	0	0	113.1	P659 R660	G635-P659 CarbonylContact O-C 3.52Å; G635-P659 VanDerWaalsContact O-C 3.27Å; G635-P659 VanDerWaalsContact O-CA 3.28Å; G635-P659 WeakPolarHBondContact O-CA 3.29Å; G635-R660 PolarHBondContact O-N 2.63Å
636	F	68.6	Low	67.6	Low	26 Å²	26	52.2 Å²	52.2	11%	0.114	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-81.6	140.2	175.4	-72.4	-92.8	0	0	0	111.4	L623 K628 S632 G633 T634 P638 N657 P659	L623-F636 HydrophobicContact CD1-CE2 4Å; L623-F636 HydrophobicContact CD1-CZ 3.92Å; K628-F636 HydrophobicContact CB-CB 3.95Å; K628-F636 HydrophobicContact CB-CD1 3.36Å; K628-F636 HydrophobicContact CB-CD2 4.35Å; K628-F636 HydrophobicContact CB-CE1 3.85Å; K628-F636 HydrophobicContact CB-CG 3.62Å; S632-F636 VanDerWaalsContact O-CD2 3.24Å; S632-F636 WeakPolarHBondContact O-CD2 3.36Å; S632-F636 WeakPolarHBondContact OG-CE2 3.46Å; G633-F636 PolarHBondContact O-N 2.75Å; T634-F636 PolarHBondContact O-N 3.16Å; F636-P638 VanDerWaalsContact O-CD 3.29Å; F636-P638 WeakPolarHBondContact O-CD 3.43Å; F636-N657 VanDerWaalsContact CD1-O 3.28Å; F636-N657 WeakPolarHBondContact CD1-O 3.44Å; F636-N657 WeakPolarHBondContact CE1-O 3.4Å; F636-P659 HydrophobicContact CE1-CG 4Å; F636-P659 HydrophobicContact CE2-CG 3.96Å; F636-P659 HydrophobicContact CZ-CG 3.67Å
637	R	68.6	Low	67	Low	80 Å²	80	47.9 Å²	47.9	30%	0.302	35%	0.353	S	S	.	.			trans	-112.7	78.1	171.1	-69.7	-176	178.8	159.8	-0.6	109.7	E579 I639 Y688	E579-R637 IonicContact OE1-CZ 2.66Å; E579-R637 IonicContact OE1-NH1 2.81Å; E579-R637 PolarHBondContact OE1-NH1 3.08Å; E579-R637 IonicContact OE1-NH2 3.79Å; E579-R637 PolarHBondContact OE1-NH2 3.23Å; R637-I639 PolarHBondContact O-N 2.9Å; R637-Y688 PolarHBondContact NH1-OH 3.13Å
638	P	67.2	Low	66.6	Low	50 Å²	50	54.1 Å²	54.1	33%	0.325	38%	0.377	S	S	.	.			trans	-61.8	125.8	-171.2	23	-32.5	0	0	0	112.4	F629 F636 G640 G641 N657	F629-P638 HydrophobicContact CD1-CB 4.15Å; F629-P638 HydrophobicContact CE1-CB 3.57Å; F636-P638 VanDerWaalsContact O-CD 3.29Å; F636-P638 WeakPolarHBondContact O-CD 3.43Å; P638-G640 PolarHBondContact O-N 3.33Å; P638-G641 PolarHBondContact O-N 2.89Å; P638-G641 VanDerWaalsContact O-N 3.15Å; P638-N657 VanDerWaalsContact CA-OD1 3.24Å; P638-N657 WeakPolarHBondContact CA-OD1 3.19Å
639	I	71.3	Confident	66.4	Low	2 Å²	2	56.1 Å²	56.1	1%	0.01	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-62.1	120.1	178.5	-51.5	178.4	0	0	0	108.8	R637 G641 G642 E649 F650 A653 N657	R637-I639 PolarHBondContact O-N 2.9Å; I639-G641 PolarHBondContact O-N 2.58Å; I639-G641 VanDerWaalsContact O-N 3.17Å; I639-G642 PolarHBondContact O-N 3.15Å; I639-E649 HydrophobicContact CG2-CB 4.05Å; I639-F650 HydrophobicContact CD1-CD1 3.37Å; I639-F650 HydrophobicContact CD1-CD2 4.25Å; I639-F650 HydrophobicContact CD1-CE1 3.19Å; I639-F650 HydrophobicContact CD1-CE2 4.11Å; I639-F650 HydrophobicContact CD1-CG 3.91Å; I639-F650 HydrophobicContact CD1-CZ 3.6Å; I639-F650 HydrophobicContact CG2-CD2 4.01Å; I639-F650 HydrophobicContact CG2-CE2 4.24Å; I639-F650 HydrophobicContact CG2-CG 4.28Å; I639-A653 HydrophobicContact CB-CB 4.24Å; I639-A653 HydrophobicContact CG1-CB 3.81Å; I639-A653 HydrophobicContact CG2-CB 4.21Å; I639-N657 PolarHBondContact N-OD1 2.7Å
640	G	69.6	Low	66.1	Low	48 Å²	48	55.4 Å²	55.4	50%	0.495	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	56.5	29.4	-179	0	0	0	0	0	113.8	P638 G642 A643	P638-G640 PolarHBondContact O-N 3.33Å; G640-G642 PolarHBondContact O-N 3.28Å; G640-G642 VanDerWaalsContact O-N 3.15Å; G640-A643 PolarHBondContact O-N 3.09Å
641	G	68.6	Low	65.7	Low	63 Å²	63	49 Å²	49	65%	0.649	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	64.7	16.8	-176.7	0	0	0	0	0	114.4	P638 I639	P638-G641 PolarHBondContact O-N 2.89Å; P638-G641 VanDerWaalsContact O-N 3.15Å; I639-G641 PolarHBondContact O-N 2.58Å; I639-G641 VanDerWaalsContact O-N 3.17Å
642	G	69.1	Low	65.9	Low	33 Å²	33	48.1 Å²	48.1	34%	0.34	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	98.2	-7.2	179.4	0	0	0	0	0	116.2	I639 G640 G644	I639-G642 PolarHBondContact O-N 3.15Å; G640-G642 PolarHBondContact O-N 3.28Å; G640-G642 VanDerWaalsContact O-N 3.15Å; G642-G644 PolarHBondContact O-N 2.83Å; G642-G644 VanDerWaalsContact O-N 3.13Å
643	A	67	Low	66.1	Low	97 Å²	97	47.8 Å²	47.8	80%	0.802	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-12.5	172.5	0	0	0	0	0	113.3	G640	G640-A643 PolarHBondContact O-N 3.09Å
644	G	65.1	Low	66	Low	38 Å²	38	45.6 Å²	45.6	39%	0.392	31%	0.311	S	S	.	.			trans	71.3	-177.9	-165.6	0	0	0	0	0	110.7	G642	G642-G644 PolarHBondContact O-N 2.83Å; G642-G644 VanDerWaalsContact O-N 3.13Å
645	G	62.7	Low	65.8	Low	42 Å²	42	44.4 Å²	44.4	43%	0.433	31%	0.305	S	S	.	.			trans	-173.4	173.2	-178.1	0	0	0	0	0	114.7
646	S	61.4	Low	65.6	Low	41 Å²	41	44.5 Å²	44.5	29%	0.287	31%	0.306	S	S	.	.			trans	-71	178.4	169.4	77.1	0	0	0	0	110.8	K648 E649 F650	S646-K648 PolarHBondContact O-N 2.9Å; S646-K648 PolarHBondContact OG-N 3.13Å; S646-E649 VanDerWaalsContact CA-OE2 3.3Å; S646-E649 WeakPolarHBondContact CA-OE2 3.37Å; S646-E649 WeakPolarHBondContact CB-OE2 3.27Å; S646-E649 PolarHBondContact N-OE2 2.95Å; S646-E649 PolarHBondContact O-N 3.44Å; S646-E649 VanDerWaalsContact O-OE2 3.14Å; S646-E649 PolarHBondContact OG-OE2 2.81Å; S646-F650 PolarHBondContact O-N 3.34Å
647	G	67	Low	65.5	Low	6 Å²	6	45.3 Å²	45.3	6%	0.062	31%	0.311	C	S	.	.	H	α-helix	trans	-57.3	-23.4	178.3	0	0	0	0	0	114.1	Q651 T913	G647-Q651 WeakPolarHBondContact O-CB 3.4Å; G647-Q651 PolarHBondContact O-N 3.28Å; G647-T913 VanDerWaalsContact CA-O 3.27Å; G647-T913 WeakPolarHBondContact CA-O 3.38Å; G647-T913 PolarHBondContact N-O 3.32Å
648	K	70.8	Confident	65.5	Low	143 Å²	143	44 Å²	44	62%	0.622	31%	0.312	S	S	*	.	H	α-helix	trans	-69.2	-47	179.5	-171.6	-179.3	178.3	-177.3	0	112.4	S646 F650 Q651 A652 T913	S646-K648 PolarHBondContact O-N 2.9Å; S646-K648 PolarHBondContact OG-N 3.13Å; K648-F650 VanDerWaalsContact C-N 3.33Å; K648-Q651 PolarHBondContact O-N 3.11Å; K648-A652 WeakPolarHBondContact O-CB 3.33Å; K648-A652 PolarHBondContact O-N 3.1Å; K648-T913 PolarHBondContact N-OG1 2.86Å
649	E	71.4	Confident	65.8	Low	77 Å²	77	43.8 Å²	43.8	36%	0.36	31%	0.311	S	S	.	.	H	α-helix	trans	-66.8	-38.1	177.6	-64.3	75.1	-161	0	0	111	I639 S646 Q651 A652 A653	I639-E649 HydrophobicContact CG2-CB 4.05Å; S646-E649 VanDerWaalsContact CA-OE2 3.3Å; S646-E649 WeakPolarHBondContact CA-OE2 3.37Å; S646-E649 WeakPolarHBondContact CB-OE2 3.27Å; S646-E649 PolarHBondContact N-OE2 2.95Å; S646-E649 PolarHBondContact O-N 3.44Å; S646-E649 VanDerWaalsContact O-OE2 3.14Å; S646-E649 PolarHBondContact OG-OE2 2.81Å; E649-Q651 VanDerWaalsContact C-N 3.33Å; E649-A652 PolarHBondContact O-N 3.15Å; E649-A653 WeakPolarHBondContact O-CB 3.47Å; E649-A653 PolarHBondContact O-N 3.29Å
650	F	69.5	Low	66	Low	75 Å²	75	44.6 Å²	44.6	33%	0.329	31%	0.314	S	S	.	.	H	α-helix	trans	-67.3	-31.3	174.5	-94	-94.2	0	0	0	113.7	I639 S646 K648 A653 R759 C915	I639-F650 HydrophobicContact CD1-CD1 3.37Å; I639-F650 HydrophobicContact CD1-CD2 4.25Å; I639-F650 HydrophobicContact CD1-CE1 3.19Å; I639-F650 HydrophobicContact CD1-CE2 4.11Å; I639-F650 HydrophobicContact CD1-CG 3.91Å; I639-F650 HydrophobicContact CD1-CZ 3.6Å; I639-F650 HydrophobicContact CG2-CD2 4.01Å; I639-F650 HydrophobicContact CG2-CE2 4.24Å; I639-F650 HydrophobicContact CG2-CG 4.28Å; S646-F650 PolarHBondContact O-N 3.34Å; K648-F650 VanDerWaalsContact C-N 3.33Å; F650-A653 CarbonylContact O-C 3.26Å; F650-R759 PolarHBondContact O-NH2 3Å; F650-C915 HydrophobicContact CB-CB 4.47Å
651	Q	64.8	Low	66.6	Low	19 Å²	19	43.2 Å²	43.2	9%	0.089	29%	0.294	C	S	.	.	H	α-helix	trans	-73.4	-46.3	175.2	-179.7	177.4	5.7	0	0	110.3	D574 G647 K648 E649 A653	D574-Q651 WeakPolarHBondContact O-CG 3.48Å; D574-Q651 PolarHBondContact O-NE2 2.72Å; G647-Q651 WeakPolarHBondContact O-CB 3.4Å; G647-Q651 PolarHBondContact O-N 3.28Å; K648-Q651 PolarHBondContact O-N 3.11Å; E649-Q651 VanDerWaalsContact C-N 3.33Å; Q651-A653 VanDerWaalsContact C-N 3.27Å; Q651-A653 PolarHBondContact O-N 3.14Å
652	A	63.3	Low	67.6	Low	51 Å²	51	40.4 Å²	40.4	42%	0.421	26%	0.264	S	S	.	.	H	α-helix	trans	-62.6	-33.4	175.8	0	0	0	0	0	112.9	K648 E649 L654	K648-A652 WeakPolarHBondContact O-CB 3.33Å; K648-A652 PolarHBondContact O-N 3.1Å; E649-A652 PolarHBondContact O-N 3.15Å; A652-L654 PolarHBondContact O-N 2.93Å
653	A	61.3	Low	68.8	Low	21 Å²	21	38.9 Å²	38.9	17%	0.174	25%	0.248	C	C	.	.			trans	-97.1	69.5	175.5	0	0	0	0	0	111.4	I639 E649 F650 Q651 G655 G656 R759	I639-A653 HydrophobicContact CB-CB 4.24Å; I639-A653 HydrophobicContact CG1-CB 3.81Å; I639-A653 HydrophobicContact CG2-CB 4.21Å; E649-A653 WeakPolarHBondContact O-CB 3.47Å; E649-A653 PolarHBondContact O-N 3.29Å; F650-A653 CarbonylContact O-C 3.26Å; Q651-A653 VanDerWaalsContact C-N 3.27Å; Q651-A653 PolarHBondContact O-N 3.14Å; A653-G655 PolarHBondContact O-N 3Å; A653-G656 PolarHBondContact O-N 2.65Å; A653-R759 PolarHBondContact O-NH2 3Å
654	L	55.4	Low	70.3	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.016	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-34.9	-179.6	-90.7	175.5	0	0	0	115.1	L575 A652 G656 P687 Y688 M755 R759	L575-L654 VanDerWaalsContact C-CD1 3.42Å; L575-L654 HydrophobicContact CB-CD1 4.39Å; L575-L654 WeakPolarHBondContact O-CD1 3.36Å; L575-L654 WeakPolarHBondContact O-CD2 3.27Å; L575-L654 WeakPolarHBondContact O-CG 3.26Å; A652-L654 PolarHBondContact O-N 2.93Å; L654-G656 PolarHBondContact O-N 2.82Å; L654-P687 HydrophobicContact CD1-CB 3.34Å; L654-P687 HydrophobicContact CD1-CG 3.63Å; L654-Y688 HydrophobicContact CB-CD2 4.22Å; L654-Y688 HydrophobicContact CB-CE2 3.24Å; L654-Y688 HydrophobicContact CD1-CD2 4.19Å; L654-Y688 HydrophobicContact CD1-CE2 3.72Å; L654-Y688 HydrophobicContact CG-CE2 4.14Å; L654-M755 HydrophobicContact CD1-CE 4.34Å; L654-M755 HydrophobicContact CD2-CB 4.4Å; L654-M755 HydrophobicContact CD2-CE 4.06Å; L654-M755 HydrophobicContact CD2-CG 4.35Å; L654-R759 VanDerWaalsContact C-NH2 3.34Å; L654-R759 PolarHBondContact O-NE 2.78Å; L654-R759 PolarHBondContact O-NH2 3.44Å
655	G	54.1	Low	71.8	Confident	5 Å²	5	32.4 Å²	32.4	5%	0.052	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-4.5	-175.5	0	0	0	0	0	113.1	A653 V658 Y688 R762	A653-G655 PolarHBondContact O-N 3Å; G655-V658 WeakPolarHBondContact O-CG2 3.26Å; G655-Y688 WeakPolarHBondContact CA-OH 3.42Å; G655-Y688 PolarHBondContact N-OH 3.27Å; G655-R762 PolarHBondContact O-NH1 2.49Å
656	G	61.4	Low	73.5	Confident	14 Å²	14	30.4 Å²	30.4	14%	0.144	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	-159.2	-173.7	0	0	0	0	0	112.1	A653 L654 V658	A653-G656 PolarHBondContact O-N 2.65Å; L654-G656 PolarHBondContact O-N 2.82Å; G656-V658 VanDerWaalsContact C-N 3.27Å; G656-V658 PolarHBondContact O-N 3.17Å
657	N	64.8	Low	75.2	Confident	43 Å²	43	28.6 Å²	28.6	23%	0.23	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	36.4	-177.3	-82.1	-38.9	0	0	0	112.7	K628 F636 P638 I639	K628-N657 HydrophobicContact CD-CB 3.58Å; K628-N657 PolarHBondContact NZ-ND2 2.89Å; F636-N657 VanDerWaalsContact CD1-O 3.28Å; F636-N657 WeakPolarHBondContact CD1-O 3.44Å; F636-N657 WeakPolarHBondContact CE1-O 3.4Å; P638-N657 VanDerWaalsContact CA-OD1 3.24Å; P638-N657 WeakPolarHBondContact CA-OD1 3.19Å; I639-N657 PolarHBondContact N-OD1 2.7Å
658	V	69.3	Low	76.6	Confident	54 Å²	54	29.2 Å²	29.2	33%	0.327	16%	0.159	S	C	.	.	S	Bend	trans	-124	159.3	-173.7	-81	0	0	0	0	110.2	G655 G656 R762	G655-V658 WeakPolarHBondContact O-CG2 3.26Å; G656-V658 VanDerWaalsContact C-N 3.27Å; G656-V658 PolarHBondContact O-N 3.17Å; V658-R762 VanDerWaalsContact CB-NH2 3.34Å
659	P	73.4	Confident	77.6	Confident	45 Å²	45	22.4 Å²	22.4	29%	0.292	13%	0.13	S	C	.	.	B	Isolated β-bridge	trans	-54.8	154.5	-177.9	-26.4	35.5	0	0	0	113	G635 F636 E661 R762	G635-P659 CarbonylContact O-C 3.52Å; G635-P659 VanDerWaalsContact O-C 3.27Å; G635-P659 VanDerWaalsContact O-CA 3.28Å; G635-P659 WeakPolarHBondContact O-CA 3.29Å; F636-P659 HydrophobicContact CE1-CG 4Å; F636-P659 HydrophobicContact CE2-CG 3.96Å; F636-P659 HydrophobicContact CZ-CG 3.67Å; P659-E661 PolarHBondContact O-N 2.88Å; P659-R762 PolarHBondContact O-NH2 2.76Å
660	R	75.9	Confident	78.6	Confident	19 Å²	19	23 Å²	23	7%	0.072	13%	0.129	C	C	.	.			trans	-64.4	123	178.1	-177.1	-172.7	-177.6	166.7	1.7	109.2	E579 E581 Y584 G635	E579-R660 IonicContact OE1-NE 2.74Å; E579-R660 IonicContact OE1-NH2 3.09Å; E579-R660 IonicContact OE2-CZ 2.77Å; E579-R660 IonicContact OE2-NE 2.79Å; E579-R660 IonicContact OE2-NH2 3.58Å; E579-R660 PolarHBondContact OE2-NH2 3.12Å; E581-R660 IonicContact OE2-CZ 3.97Å; E581-R660 IonicContact OE2-NH1 3.34Å; E581-R660 PolarHBondContact OE2-NH1 3.33Å; E581-R660 IonicContact OE2-NH2 2.65Å; E581-R660 PolarHBondContact OE2-NH2 3.02Å; Y584-R660 HydrophobicContact CD1-CG 4.29Å; Y584-R660 WeakPolarHBondContact CE1-O 3.39Å; G635-R660 PolarHBondContact O-N 2.63Å
661	E	83.1	Confident	79.5	Confident	18 Å²	18	24.8 Å²	24.8	8%	0.084	14%	0.139	C	C	.	.			trans	-148.3	134.6	-176.1	-69.5	171.1	152.5	0	0	108.5	P659 Y688 F758 R762 R765	P659-E661 PolarHBondContact O-N 2.88Å; E661-Y688 WeakPolarHBondContact O-CD1 3.28Å; E661-F758 HydrophobicContact CB-CZ 4.43Å; E661-R762 IonicContact OE2-CZ 2.84Å; E661-R762 VanDerWaalsContact OE2-CZ 3.24Å; E661-R762 IonicContact OE2-NE 3.76Å; E661-R762 PolarHBondContact OE2-NE 3.47Å; E661-R762 IonicContact OE2-NH2 3.52Å; E661-R762 PolarHBondContact OE2-NH2 3.4Å; E661-R765 IonicContact OE1-CZ 3.64Å; E661-R765 IonicContact OE1-NH1 3.56Å; E661-R765 PolarHBondContact OE1-NH1 3.17Å; E661-R765 IonicContact OE1-NH2 2.79Å; E661-R765 PolarHBondContact OE1-NH2 3.29Å; E661-R765 IonicContact OE2-CZ 2.73Å; E661-R765 IonicContact OE2-NH1 3.96Å; E661-R765 IonicContact OE2-NH2 3.66Å; E661-R765 PolarHBondContact OE2-NH2 2.86Å
662	Q	89.4	Confident	80.5	Confident	5 Å²	5	26.3 Å²	26.3	2%	0.023	14%	0.144	C	C	.	.			trans	-110.3	173.4	173.5	-68.8	-176.6	-20.2	0	0	110.1	E579 Y584 Y688 N690 T737	E579-Q662 PolarHBondContact OE2-NE2 3.16Å; Y584-Q662 PolarHBondContact O-OE1 3.42Å; Q662-Y688 CarbonylContact C-O 3.58Å; Q662-Y688 VanDerWaalsContact CA-O 3.22Å; Q662-Y688 WeakPolarHBondContact CA-O 3.45Å; Q662-Y688 WeakPolarHBondContact CB-O 3.5Å; Q662-N690 HydrophobicContact CB-CB 3.83Å; Q662-N690 PolarHBondContact OE1-ND2 3.32Å; Q662-T737 HydrophobicContact CB-CG2 4.18Å; Q662-T737 WeakPolarHBondContact O-CB 3.47Å; Q662-T737 WeakPolarHBondContact O-CG2 3.48Å
663	F	94.6	Very high	81.7	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	152.4	173.4	62.8	-92.8	0	0	0	111.6	V665 L686 Y688 L689 N690 A739 L741 I754 M755 F758 F804	F663-V665 HydrophobicContact CD2-CG2 4.17Å; F663-V665 HydrophobicContact CE2-CG2 3.87Å; F663-L686 HydrophobicContact CE2-CD2 4.06Å; F663-L686 HydrophobicContact CZ-CD2 3.8Å; F663-L686 HydrophobicContact CZ-CG 4.22Å; F663-Y688 WeakPolarHBondContact CD1-O 3.37Å; F663-Y688 PolarHBondContact N-O 3.14Å; F663-L689 HydrophobicContact CD2-CD1 4.27Å; F663-L689 HydrophobicContact CE2-CD1 3.91Å; F663-N690 WeakPolarHBondContact O-CB 3.21Å; F663-N690 PolarHBondContact O-N 2.86Å; F663-A739 WeakPolarHBondContact CA-O 3.44Å; F663-A739 HydrophobicContact CB-CB 3.61Å; F663-L741 HydrophobicContact CD2-CB 4.07Å; F663-L741 HydrophobicContact CE2-CB 4.38Å; F663-L741 HydrophobicContact CE2-CD2 4.2Å; F663-I754 HydrophobicContact CE2-CG2 4.22Å; F663-I754 HydrophobicContact CZ-CG2 3.81Å; F663-M755 HydrophobicContact CE1-SD 4.34Å; F663-F758 HydrophobicContact CB-CD2 4.2Å; F663-F758 HydrophobicContact CB-CE2 3.94Å; F663-F758 HydrophobicContact CB-CZ 4.49Å; F663-F758 HydrophobicContact CD1-CB 4.39Å; F663-F758 AromaticContact CD1-CD1 3.84Å; F663-F758 HydrophobicContact CD1-CD1 3.84Å; F663-F758 AromaticContact CD1-CD2 3.72Å; F663-F758 HydrophobicContact CD1-CD2 3.72Å; F663-F758 AromaticContact CD1-CE1 3.96Å; F663-F758 HydrophobicContact CD1-CE1 3.96Å; F663-F758 AromaticContact CD1-CE2 3.85Å; F663-F758 HydrophobicContact CD1-CE2 3.85Å; F663-F758 AromaticContact CD1-CG 3.72Å; F663-F758 HydrophobicContact CD1-CG 3.72Å; F663-F758 AromaticContact CD1-CZ 3.97Å; F663-F758 HydrophobicContact CD1-CZ 3.97Å; F663-F758 HydrophobicContact CE1-CB 4.38Å; F663-F758 HydrophobicContact CE1-CD1 4.08Å; F663-F758 HydrophobicContact CE1-CD2 4.5Å; F663-F758 HydrophobicContact CE1-CE1 4.49Å; F663-F758 HydrophobicContact CE1-CG 4.08Å; F663-F758 HydrophobicContact CG-CD2 4.26Å; F663-F758 HydrophobicContact CG-CE2 4.34Å; F663-F804 HydrophobicContact CB-CE1 4.04Å; F663-F804 HydrophobicContact CD1-CE1 4.12Å; F663-F804 AromaticContact CD2-CE1 3.84Å; F663-F804 HydrophobicContact CD2-CE1 3.84Å; F663-F804 HydrophobicContact CD2-CZ 4.3Å; F663-F804 HydrophobicContact CE2-CE1 4.31Å; F663-F804 HydrophobicContact CE2-CZ 4.32Å; F663-F804 AromaticContact CG-CE1 3.74Å; F663-F804 HydrophobicContact CG-CE1 3.74Å; F663-F804 HydrophobicContact CG-CZ 4.4Å; F663-F804 HydrophobicContact CZ-CZ 4.43Å
664	T	97.4	Very high	82.9	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	135	173.1	-64.4	0	0	0	0	109.1	K691 V693 I735 T737 A739 I740 L741	T664-K691 WeakPolarHBondContact CA-O 3.44Å; T664-V693 HydrophobicContact CG2-CB 4.42Å; T664-V693 HydrophobicContact CG2-CG2 3.7Å; T664-I735 HydrophobicContact CG2-CG1 4.21Å; T664-I735 HydrophobicContact CG2-CG2 4.33Å; T664-T737 WeakPolarHBondContact CB-OG1 3.41Å; T664-T737 PolarHBondContact N-OG1 2.96Å; T664-T737 PolarHBondContact OG1-OG1 3.13Å; T664-A739 PolarHBondContact N-O 3.13Å; T664-A739 VanDerWaalsContact N-O 3.16Å; T664-I740 WeakPolarHBondContact O-CA 3.47Å; T664-L741 PolarHBondContact O-N 2.96Å
665	V	97.8	Very high	84.5	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	132.7	171.5	172.7	0	0	0	0	108.9	F663 M667 L683 L689 K691 V692 V693 L741 I743	F663-V665 HydrophobicContact CD2-CG2 4.17Å; F663-V665 HydrophobicContact CE2-CG2 3.87Å; V665-M667 HydrophobicContact CG1-CE 4.02Å; V665-M667 HydrophobicContact CG1-CG 3.98Å; V665-M667 HydrophobicContact CG1-SD 4.38Å; V665-L683 HydrophobicContact CB-CD1 4.49Å; V665-L683 HydrophobicContact CG1-CD1 4.13Å; V665-L683 HydrophobicContact CG2-CD1 4.41Å; V665-L689 HydrophobicContact CB-CD1 4.08Å; V665-L689 HydrophobicContact CG2-CD1 3.41Å; V665-L689 VanDerWaalsContact CG2-CD1 3.41Å; V665-K691 PolarHBondContact N-O 3.21Å; V665-V692 HydrophobicContact CB-CG1 4.26Å; V665-V692 HydrophobicContact CB-CG2 4.26Å; V665-V692 HydrophobicContact CG1-CG1 4.15Å; V665-V692 CarbonylContact O-C 3.51Å; V665-V692 WeakPolarHBondContact O-CA 3.46Å; V665-V693 PolarHBondContact O-N 2.81Å; V665-L741 CarbonylContact C-O 3.53Å; V665-L741 WeakPolarHBondContact CA-O 3.41Å; V665-L741 HydrophobicContact CG2-CB 4.1Å; V665-L741 HydrophobicContact CG2-CD2 4.06Å; V665-L741 HydrophobicContact CG2-CG 4.36Å; V665-I743 HydrophobicContact CG1-CG2 3.63Å
666	V	98.1	Very high	86.2	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118.5	172.9	179.3	0	0	0	0	108.8	V693 V695 R728 I735 I740 L741 I743	V666-V693 WeakPolarHBondContact CA-O 3.47Å; V666-V693 HydrophobicContact CG2-CB 4.26Å; V666-V695 HydrophobicContact CG1-CG2 3.88Å; V666-R728 HydrophobicContact CG1-CB 4.28Å; V666-I735 HydrophobicContact CG2-CD1 3.99Å; V666-I740 HydrophobicContact CB-CG2 4.17Å; V666-I740 HydrophobicContact CG2-CG2 3.66Å; V666-L741 PolarHBondContact N-O 2.97Å; V666-I743 PolarHBondContact O-N 2.8Å; V666-I743 VanDerWaalsContact O-N 3.07Å
667	M	96.7	Very high	87.6	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	116.3	178.8	-79.1	174.5	175.5	0	0	109.6	V665 L676 L680 L683 V692 V693 V694 V695 I743	V665-M667 HydrophobicContact CG1-CE 4.02Å; V665-M667 HydrophobicContact CG1-CG 3.98Å; V665-M667 HydrophobicContact CG1-SD 4.38Å; M667-L676 HydrophobicContact CB-CD1 4.4Å; M667-L676 HydrophobicContact SD-CD1 4.16Å; M667-L680 HydrophobicContact SD-CD2 3.82Å; M667-L680 HydrophobicContact SD-CG 4.42Å; M667-L683 HydrophobicContact CE-CD1 3.65Å; M667-L683 HydrophobicContact CE-CG 4.32Å; M667-L683 HydrophobicContact SD-CD1 4.48Å; M667-V692 HydrophobicContact SD-CG1 4.35Å; M667-V693 PolarHBondContact N-O 3.14Å; M667-V694 CarbonylContact O-C 3.47Å; M667-V694 WeakPolarHBondContact O-CA 3.2Å; M667-V695 PolarHBondContact O-N 2.94Å; M667-I743 HydrophobicContact CE-CG2 3.41Å; M667-I743 VanDerWaalsContact CE-CG2 3.41Å; M667-I743 HydrophobicContact CG-CG2 3.38Å; M667-I743 HydrophobicContact SD-CG2 4.25Å
668	L	95.4	Very high	88.7	Confident	19 Å²	19	35.5 Å²	35.5	10%	0.099	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	131.6	169.8	-175.8	152.7	0	0	0	108.6	V695 N697 L725 N727 R728	L668-V695 WeakPolarHBondContact CA-O 3.5Å; L668-V695 HydrophobicContact CB-CB 4.33Å; L668-V695 HydrophobicContact CD1-CG1 4.35Å; L668-V695 HydrophobicContact CG-CG1 4.43Å; L668-N697 HydrophobicContact CD2-CB 4.29Å; L668-N697 HydrophobicContact CG-CB 4.44Å; L668-L725 HydrophobicContact CD2-CD2 4.23Å; L668-N727 HydrophobicContact CD1-CB 4.5Å; L668-R728 HydrophobicContact CB-CB 4.06Å; L668-R728 HydrophobicContact CD1-CB 3.88Å
669	T	93.3	Very high	89.7	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.4	177.4	-167.1	0	0	0	0	111.7	L676 V694 V695 W696 N697 D745	T669-L676 HydrophobicContact CG2-CD2 3.85Å; T669-V694 HydrophobicContact CG2-CG1 4.07Å; T669-V695 PolarHBondContact N-O 3.13Å; T669-V695 VanDerWaalsContact N-O 3.09Å; T669-W696 HydrophobicContact CG2-CD2 4.26Å; T669-W696 HydrophobicContact CG2-CE3 3.53Å; T669-W696 HydrophobicContact CG2-CZ3 3.82Å; T669-N697 WeakPolarHBondContact O-CB 3.44Å; T669-N697 PolarHBondContact O-N 2.87Å; T669-N697 VanDerWaalsContact O-N 3.1Å; T669-D745 WeakPolarHBondContact CA-OD2 3.27Å; T669-D745 WeakPolarHBondContact CB-OD2 3.38Å; T669-D745 PolarHBondContact OG1-OD2 2.83Å
670	Y	91.9	Very high	90.6	Very high	88 Å²	88	31.1 Å²	31.1	35%	0.345	15%	0.145	S	C	.	.	S	Bend	trans	-142.5	109.6	173.6	-178.8	-88.6	0	0	0	109.9	R672 N697 N723	Y670-R672 WeakPolarHBondContact O-CG 3.22Å; Y670-R672 PolarHBondContact O-N 2.94Å; Y670-N697 HydrophobicContact CD2-CB 4.34Å; Y670-N723 HydrophobicContact CE2-CB 4.35Å; Y670-N723 WeakPolarHBondContact CE2-ND2 3.38Å
671	E	88.8	Confident	91.3	Very high	113 Å²	113	32.6 Å²	32.6	53%	0.528	15%	0.153	S	C	.	.	S	Bend	trans	56.7	33.7	172.6	-60.5	-169.1	144.6	0	0	113.5	S698	E671-S698 PolarHBondContact N-OG 3.27Å
672	R	86.2	Confident	91.5	Very high	51 Å²	51	37.3 Å²	37.3	19%	0.192	17%	0.17	C	C	.	.			trans	-133.9	46.7	-174.4	-73.4	172.8	176.3	-162.1	-3.9	112.7	Y670 E674 V675 L676 D745 D746 Q864	Y670-R672 WeakPolarHBondContact O-CG 3.22Å; Y670-R672 PolarHBondContact O-N 2.94Å; R672-E674 VanDerWaalsContact C-N 3.34Å; R672-E674 PolarHBondContact O-N 2.91Å; R672-V675 HydrophobicContact CB-CB 4.31Å; R672-V675 PolarHBondContact O-N 3.41Å; R672-L676 WeakPolarHBondContact O-CB 3.25Å; R672-L676 PolarHBondContact O-N 2.91Å; R672-D745 WeakPolarHBondContact CB-OD2 3.45Å; R672-D745 WeakPolarHBondContact CD-OD2 3.32Å; R672-D745 IonicContact NH1-OD1 2.82Å; R672-D745 PolarHBondContact NH1-OD1 2.92Å; R672-D745 VanDerWaalsContact NH1-OD1 3.13Å; R672-D746 IonicContact CZ-OD2 2.76Å; R672-D746 IonicContact NH1-OD2 3.06Å; R672-D746 PolarHBondContact NH1-OD2 3.24Å; R672-Q864 PolarHBondContact NH2-O 3.17Å
673	E	87.5	Confident	91.5	Very high	54 Å²	54	37.4 Å²	37.4	25%	0.252	17%	0.17	S	C	.	.	H	α-helix	trans	-54.3	-45.5	-173.7	-52.1	-166.4	160.6	0	0	113	L676 M677 W696 S703	E673-L676 PolarHBondContact O-N 3.23Å; E673-M677 VanDerWaalsContact O-CG 3.29Å; E673-M677 WeakPolarHBondContact O-CG 3.48Å; E673-M677 PolarHBondContact O-N 3.4Å; E673-W696 HydrophobicContact CG-CH2 3.88Å; E673-W696 WeakPolarHBondContact OE1-CH2 3.45Å; E673-S703 PolarHBondContact OE2-OG 2.93Å
674	E	86.4	Confident	91.2	Very high	154 Å²	154	40.7 Å²	40.7	72%	0.72	19%	0.188	S	C	*	.	H	α-helix	trans	-65.5	-42.3	-179.2	-173	-177	174.2	0	0	112.7	R672 M677 N678	R672-E674 VanDerWaalsContact C-N 3.34Å; R672-E674 PolarHBondContact O-N 2.91Å; E674-M677 PolarHBondContact O-N 2.84Å; E674-N678 PolarHBondContact O-N 3.26Å; E674-N678 VanDerWaalsContact O-N 3.11Å; E674-N678 PolarHBondContact O-ND2 3.39Å; E674-N678 VanDerWaalsContact O-ND2 3.15Å
675	V	88.1	Confident	90.4	Very high	28 Å²	28	41.7 Å²	41.7	17%	0.17	20%	0.199	C	C	.	.	H	α-helix	trans	-66.5	-43.3	179.2	-176.7	0	0	0	0	109.8	R672 M677 N678 S679 D745 D746	R672-V675 HydrophobicContact CB-CB 4.31Å; R672-V675 PolarHBondContact O-N 3.41Å; V675-M677 PolarHBondContact O-N 2.03Å; V675-N678 PolarHBondContact O-N 3.29Å; V675-S679 WeakPolarHBondContact O-CB 3.32Å; V675-S679 PolarHBondContact O-N 2.99Å; V675-S679 PolarHBondContact O-OG 2.93Å; V675-D745 WeakPolarHBondContact CG1-O 3.46Å; V675-D746 HydrophobicContact CG1-CB 4.1Å
676	L	90.8	Very high	89.8	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.1	-49.3	173.8	173	68	0	0	0	111.5	M667 T669 R672 E673 N678 S679 L680 V694 W696 W708 D745	M667-L676 HydrophobicContact CB-CD1 4.4Å; M667-L676 HydrophobicContact SD-CD1 4.16Å; T669-L676 HydrophobicContact CG2-CD2 3.85Å; R672-L676 WeakPolarHBondContact O-CB 3.25Å; R672-L676 PolarHBondContact O-N 2.91Å; E673-L676 PolarHBondContact O-N 3.23Å; L676-N678 VanDerWaalsContact C-N 3.33Å; L676-N678 PolarHBondContact O-N 3.27Å; L676-S679 PolarHBondContact O-N 3.34Å; L676-S679 VanDerWaalsContact O-N 3.11Å; L676-L680 HydrophobicContact CD1-CD1 4.03Å; L676-L680 HydrophobicContact CD1-CD2 4.46Å; L676-L680 HydrophobicContact CD1-CG 3.98Å; L676-L680 HydrophobicContact CD2-CD1 4.36Å; L676-L680 HydrophobicContact CG-CD1 3.85Å; L676-L680 HydrophobicContact CG-CG 4.23Å; L676-L680 WeakPolarHBondContact O-CG 3.43Å; L676-L680 PolarHBondContact O-N 2.9Å; L676-V694 HydrophobicContact CD1-CG1 4.27Å; L676-V694 HydrophobicContact CD1-CG2 4.39Å; L676-V694 HydrophobicContact CD2-CG1 3.78Å; L676-W696 HydrophobicContact CD2-CZ3 4.15Å; L676-W708 HydrophobicContact CD2-CH2 4.04Å; L676-W708 HydrophobicContact CD2-CZ3 4.18Å; L676-D745 HydrophobicContact CD1-CB 4.46Å
677	M	90.5	Very high	89.1	Confident	23 Å²	23	42.2 Å²	42.2	11%	0.113	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-43.1	-178	-70.5	-58.8	154.3	0	0	112	E673 E674 V675 S679 L680 E681 L706 W708 P709	E673-M677 VanDerWaalsContact O-CG 3.29Å; E673-M677 WeakPolarHBondContact O-CG 3.48Å; E673-M677 PolarHBondContact O-N 3.4Å; E674-M677 PolarHBondContact O-N 2.84Å; V675-M677 PolarHBondContact O-N 2.03Å; M677-S679 VanDerWaalsContact C-N 3.32Å; M677-S679 PolarHBondContact O-N 3.28Å; M677-L680 HydrophobicContact CE-CD1 4.5Å; M677-L680 PolarHBondContact O-N 2.99Å; M677-L680 HydrophobicContact SD-CD1 4.15Å; M677-E681 PolarHBondContact O-N 2.89Å; M677-L706 HydrophobicContact CE-CD1 4.25Å; M677-L706 HydrophobicContact CE-CD2 3.3Å; M677-L706 HydrophobicContact CE-CG 3.67Å; M677-L706 HydrophobicContact CG-CD1 4.22Å; M677-W708 HydrophobicContact CE-CD2 3.41Å; M677-W708 VanDerWaalsContact CE-CD2 3.41Å; M677-W708 VanDerWaalsContact CE-CE2 3.46Å; M677-W708 HydrophobicContact CE-CE3 3.6Å; M677-W708 HydrophobicContact CE-CG 3.95Å; M677-W708 HydrophobicContact CE-CH2 3.88Å; M677-W708 HydrophobicContact CE-CZ2 3.71Å; M677-W708 HydrophobicContact CE-CZ3 3.83Å; M677-W708 HydrophobicContact SD-CD2 4.31Å; M677-W708 HydrophobicContact SD-CE3 4.32Å; M677-W708 HydrophobicContact SD-CG 4.48Å; M677-P709 VanDerWaalsContact SD-CD 3.54Å
678	N	88.2	Confident	88.5	Confident	72 Å²	72	42.6 Å²	42.6	39%	0.385	20%	0.203	S	C	.	.	H	α-helix	trans	-63.2	-37.3	174.9	-72.6	-36.1	0	0	0	112.4	E674 V675 L676 R682	E674-N678 PolarHBondContact O-N 3.26Å; E674-N678 VanDerWaalsContact O-N 3.11Å; E674-N678 PolarHBondContact O-ND2 3.39Å; E674-N678 VanDerWaalsContact O-ND2 3.15Å; V675-N678 PolarHBondContact O-N 3.29Å; L676-N678 VanDerWaalsContact C-N 3.33Å; L676-N678 PolarHBondContact O-N 3.27Å; N678-R682 WeakPolarHBondContact O-CG 3.38Å; N678-R682 PolarHBondContact O-N 2.91Å
679	S	90.6	Very high	88.3	Confident	7 Å²	7	42 Å²	42	5%	0.049	20%	0.2	C	C	.	.	H	α-helix	trans	-71.1	-38	176.9	-71.5	0	0	0	0	112.4	V675 L676 M677 R682 D745	V675-S679 WeakPolarHBondContact O-CB 3.32Å; V675-S679 PolarHBondContact O-N 2.99Å; V675-S679 PolarHBondContact O-OG 2.93Å; L676-S679 PolarHBondContact O-N 3.34Å; L676-S679 VanDerWaalsContact O-N 3.11Å; M677-S679 VanDerWaalsContact C-N 3.32Å; M677-S679 PolarHBondContact O-N 3.28Å; S679-R682 PolarHBondContact O-N 2.86Å; S679-D745 WeakPolarHBondContact CB-O 3.33Å; S679-D745 PolarHBondContact OG-O 3.41Å
680	L	92.3	Very high	88.3	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-47.4	173.7	-71.4	171.4	0	0	0	111	M667 L676 M677 R682 L683 V692 V694 W708 P709 I711 I715	M667-L680 HydrophobicContact SD-CD2 3.82Å; M667-L680 HydrophobicContact SD-CG 4.42Å; L676-L680 HydrophobicContact CD1-CD1 4.03Å; L676-L680 HydrophobicContact CD1-CD2 4.46Å; L676-L680 HydrophobicContact CD1-CG 3.98Å; L676-L680 HydrophobicContact CD2-CD1 4.36Å; L676-L680 HydrophobicContact CG-CD1 3.85Å; L676-L680 HydrophobicContact CG-CG 4.23Å; L676-L680 WeakPolarHBondContact O-CG 3.43Å; L676-L680 PolarHBondContact O-N 2.9Å; M677-L680 HydrophobicContact CE-CD1 4.5Å; M677-L680 PolarHBondContact O-N 2.99Å; M677-L680 HydrophobicContact SD-CD1 4.15Å; L680-R682 PolarHBondContact O-N 3.1Å; L680-R682 VanDerWaalsContact O-N 3.17Å; L680-L683 WeakPolarHBondContact O-CB 3.37Å; L680-L683 PolarHBondContact O-N 3.08Å; L680-V692 HydrophobicContact CD2-CB 4.44Å; L680-V692 HydrophobicContact CD2-CG1 3.67Å; L680-V694 HydrophobicContact CD1-CG2 4.47Å; L680-V694 HydrophobicContact CD2-CG2 4.11Å; L680-W708 HydrophobicContact CD1-CE3 3.69Å; L680-W708 HydrophobicContact CD1-CZ3 3.66Å; L680-P709 HydrophobicContact CB-CG 3.53Å; L680-P709 HydrophobicContact CD1-CG 4.42Å; L680-I711 VanDerWaalsContact O-CG2 3.25Å; L680-I711 WeakPolarHBondContact O-CG2 3.35Å; L680-I715 HydrophobicContact CD1-CD1 4.44Å; L680-I715 HydrophobicContact CD2-CD1 4.49Å
681	E	89.4	Confident	88.3	Confident	49 Å²	49	38.5 Å²	38.5	23%	0.229	19%	0.186	C	C	.	.	H	α-helix	trans	-58.4	-32.8	-179.5	-177.9	163.5	-142.1	0	0	112.7	T563 M677 L683 N684 P709	T563-E681 WeakPolarHBondContact CB-OE1 3.5Å; T563-E681 WeakPolarHBondContact CG2-OE1 3.48Å; T563-E681 PolarHBondContact OG1-OE1 2.93Å; M677-E681 PolarHBondContact O-N 2.89Å; E681-L683 PolarHBondContact O-N 2.94Å; E681-N684 WeakPolarHBondContact O-CB 3.26Å; E681-N684 PolarHBondContact O-N 3.38Å; E681-P709 HydrophobicContact CB-CB 4.2Å; E681-P709 HydrophobicContact CB-CG 4.48Å
682	R	87.9	Confident	88.7	Confident	117 Å²	117	33.1 Å²	33.1	44%	0.442	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-17.7	174.9	-69.6	169.9	-169.3	-141.8	16.6	113.9	N678 S679 L680 N684 H748 H751	N678-R682 WeakPolarHBondContact O-CG 3.38Å; N678-R682 PolarHBondContact O-N 2.91Å; S679-R682 PolarHBondContact O-N 2.86Å; L680-R682 PolarHBondContact O-N 3.1Å; L680-R682 VanDerWaalsContact O-N 3.17Å; R682-N684 VanDerWaalsContact C-N 3.26Å; R682-H748 PolarHBondContact NH1-CD2 3.43Å; R682-H748 PolarHBondContact NH2-CD2 2.74Å; R682-H748 PolarHBondContact NH2-NE2 3.12Å; R682-H751 PolarHBondContact O-NE2 3.03Å
683	L	90	Very high	89.2	Confident	7 Å²	7	30.7 Å²	30.7	4%	0.037	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.4	173.9	-58	178.1	0	0	0	112.7	V665 M667 L680 E681 G685 L686 L689 V692 I711 I754	V665-L683 HydrophobicContact CB-CD1 4.49Å; V665-L683 HydrophobicContact CG1-CD1 4.13Å; V665-L683 HydrophobicContact CG2-CD1 4.41Å; M667-L683 HydrophobicContact CE-CD1 3.65Å; M667-L683 HydrophobicContact CE-CG 4.32Å; M667-L683 HydrophobicContact SD-CD1 4.48Å; L680-L683 WeakPolarHBondContact O-CB 3.37Å; L680-L683 PolarHBondContact O-N 3.08Å; E681-L683 PolarHBondContact O-N 2.94Å; L683-G685 PolarHBondContact O-N 3.2Å; L683-L686 HydrophobicContact CD2-CD2 3.84Å; L683-L686 VanDerWaalsContact O-CB 3.22Å; L683-L686 WeakPolarHBondContact O-CB 3.46Å; L683-L686 PolarHBondContact O-N 3.44Å; L683-L689 HydrophobicContact CB-CD2 4.23Å; L683-V692 HydrophobicContact CD1-CG1 4.48Å; L683-V692 HydrophobicContact CD1-CG2 3.8Å; L683-I711 HydrophobicContact CB-CD1 4.34Å; L683-I754 HydrophobicContact CD2-CD1 4.3Å
684	N	88	Confident	89.7	Confident	69 Å²	69	28.1 Å²	28.1	37%	0.369	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	122.7	178.5	-175.7	19.5	0	0	0	111.3	E681 R682 L686 I711 H751	E681-N684 WeakPolarHBondContact O-CB 3.26Å; E681-N684 PolarHBondContact O-N 3.38Å; R682-N684 VanDerWaalsContact C-N 3.26Å; N684-L686 VanDerWaalsContact C-N 3.28Å; N684-L686 PolarHBondContact O-N 3.43Å; N684-I711 HydrophobicContact CB-CB 4.31Å; N684-I711 HydrophobicContact CB-CG2 4.18Å; N684-I711 PolarHBondContact OD1-O 3.26Å; N684-H751 PolarHBondContact O-CE1 3.43Å
685	G	81.4	Confident	90.2	Very high	22 Å²	22	20.8 Å²	20.8	23%	0.227	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	15.5	-179.6	0	0	0	0	0	115.1	V578 L683 P687 I711	V578-G685 VanDerWaalsContact CG2-O 3.25Å; V578-G685 WeakPolarHBondContact CG2-O 3.33Å; L683-G685 PolarHBondContact O-N 3.2Å; G685-P687 VanDerWaalsContact O-CD 3.3Å; G685-P687 WeakPolarHBondContact O-CD 3.27Å; G685-I711 PolarHBondContact N-O 3.48Å
686	L	85.4	Confident	90.5	Very high	8 Å²	8	19.7 Å²	19.7	4%	0.042	10%	0.098	C	C	.	.			trans	-64.1	122.3	176.4	179.3	64.8	0	0	0	110.9	F663 L683 N684 L689 H751 I754 M755	F663-L686 HydrophobicContact CE2-CD2 4.06Å; F663-L686 HydrophobicContact CZ-CD2 3.8Å; F663-L686 HydrophobicContact CZ-CG 4.22Å; L683-L686 HydrophobicContact CD2-CD2 3.84Å; L683-L686 VanDerWaalsContact O-CB 3.22Å; L683-L686 WeakPolarHBondContact O-CB 3.46Å; L683-L686 PolarHBondContact O-N 3.44Å; N684-L686 VanDerWaalsContact C-N 3.28Å; N684-L686 PolarHBondContact O-N 3.43Å; L686-L689 HydrophobicContact CB-CB 4.28Å; L686-L689 HydrophobicContact CB-CD2 4.25Å; L686-L689 HydrophobicContact CD2-CB 4.3Å; L686-L689 HydrophobicContact CD2-CD2 4.31Å; L686-L689 HydrophobicContact CG-CB 4.29Å; L686-L689 WeakPolarHBondContact O-CB 3.5Å; L686-H751 HydrophobicContact CD1-CB 3.91Å; L686-I754 HydrophobicContact CD1-CB 4.36Å; L686-I754 HydrophobicContact CD1-CD1 4.36Å; L686-I754 HydrophobicContact CD1-CG2 4.26Å; L686-I754 HydrophobicContact CD2-CD1 4.13Å; L686-I754 HydrophobicContact CD2-CG2 4.16Å; L686-M755 HydrophobicContact CD1-SD 4.43Å
687	P	81.7	Confident	90.7	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.019	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	150.8	177.6	-25.2	37.2	0	0	0	113	L575 L654 G685 L689 M755	L575-P687 HydrophobicContact CB-CG 4.18Å; L654-P687 HydrophobicContact CD1-CB 3.34Å; L654-P687 HydrophobicContact CD1-CG 3.63Å; G685-P687 VanDerWaalsContact O-CD 3.3Å; G685-P687 WeakPolarHBondContact O-CD 3.27Å; P687-L689 PolarHBondContact O-N 3.49Å; P687-M755 HydrophobicContact CB-CE 4.48Å; P687-M755 HydrophobicContact CB-SD 4.06Å
688	Y	84.6	Confident	90.7	Very high	9 Å²	9	19.4 Å²	19.4	4%	0.035	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	3.8	178.9	-61.3	-93.9	0	0	0	115.9	R637 L654 G655 E661 Q662 F663 N690 M755 F758	R637-Y688 PolarHBondContact NH1-OH 3.13Å; L654-Y688 HydrophobicContact CB-CD2 4.22Å; L654-Y688 HydrophobicContact CB-CE2 3.24Å; L654-Y688 HydrophobicContact CD1-CD2 4.19Å; L654-Y688 HydrophobicContact CD1-CE2 3.72Å; L654-Y688 HydrophobicContact CG-CE2 4.14Å; G655-Y688 WeakPolarHBondContact CA-OH 3.42Å; G655-Y688 PolarHBondContact N-OH 3.27Å; E661-Y688 WeakPolarHBondContact O-CD1 3.28Å; Q662-Y688 CarbonylContact C-O 3.58Å; Q662-Y688 VanDerWaalsContact CA-O 3.22Å; Q662-Y688 WeakPolarHBondContact CA-O 3.45Å; Q662-Y688 WeakPolarHBondContact CB-O 3.5Å; F663-Y688 WeakPolarHBondContact CD1-O 3.37Å; F663-Y688 PolarHBondContact N-O 3.14Å; Y688-N690 PolarHBondContact O-N 3.02Å; Y688-M755 HydrophobicContact CD2-CE 3.27Å; Y688-M755 HydrophobicContact CD2-SD 4.21Å; Y688-M755 HydrophobicContact CE2-CE 3.98Å; Y688-M755 HydrophobicContact CG-CE 3.97Å; Y688-F758 HydrophobicContact CD1-CE1 4.03Å; Y688-F758 HydrophobicContact CG-CD1 4.48Å; Y688-F758 HydrophobicContact CG-CE1 4.01Å
689	L	90.7	Very high	90.7	Very high	7 Å²	7	20.6 Å²	20.6	4%	0.037	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	124.7	171.3	-176.1	62	0	0	0	109.4	F663 V665 L683 L686 P687 V692 I711 V713	F663-L689 HydrophobicContact CD2-CD1 4.27Å; F663-L689 HydrophobicContact CE2-CD1 3.91Å; V665-L689 HydrophobicContact CB-CD1 4.08Å; V665-L689 HydrophobicContact CG2-CD1 3.41Å; V665-L689 VanDerWaalsContact CG2-CD1 3.41Å; L683-L689 HydrophobicContact CB-CD2 4.23Å; L686-L689 HydrophobicContact CB-CB 4.28Å; L686-L689 HydrophobicContact CB-CD2 4.25Å; L686-L689 HydrophobicContact CD2-CB 4.3Å; L686-L689 HydrophobicContact CD2-CD2 4.31Å; L686-L689 HydrophobicContact CG-CB 4.29Å; L686-L689 WeakPolarHBondContact O-CB 3.5Å; P687-L689 PolarHBondContact O-N 3.49Å; L689-V692 HydrophobicContact CD1-CG2 4.31Å; L689-V692 HydrophobicContact CD2-CG2 3.99Å; L689-I711 HydrophobicContact CD2-CD1 4.31Å; L689-V713 HydrophobicContact CD2-CG2 3.5Å; L689-V713 HydrophobicContact CG-CG1 4.4Å; L689-V713 HydrophobicContact CG-CG2 3.82Å; L689-V713 WeakPolarHBondContact O-CG1 3.46Å
690	N	93	Very high	90.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-51.7	175.8	177.3	-88.1	0	0	0	111.5	P583 Y584 Q662 F663 Y688 T737	P583-N690 WeakPolarHBondContact CB-ND2 3.41Å; P583-N690 WeakPolarHBondContact CB-O 3.28Å; P583-N690 VanDerWaalsContact CG-O 3.28Å; P583-N690 WeakPolarHBondContact CG-O 3.42Å; Y584-N690 PolarHBondContact N-ND2 3.06Å; Y584-N690 PolarHBondContact O-ND2 2.94Å; Q662-N690 HydrophobicContact CB-CB 3.83Å; Q662-N690 PolarHBondContact OE1-ND2 3.32Å; F663-N690 WeakPolarHBondContact O-CB 3.21Å; F663-N690 PolarHBondContact O-N 2.86Å; Y688-N690 PolarHBondContact O-N 3.02Å; N690-T737 HydrophobicContact CB-CG2 3.58Å
691	K	93.9	Very high	90.5	Very high	16 Å²	16	32.3 Å²	32.3	7%	0.07	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	156.1	-172	-172.5	-176.4	-63.8	170.4	0	108.8	T664 V665 V693 P714 M716 E734 E736	T664-K691 WeakPolarHBondContact CA-O 3.44Å; V665-K691 PolarHBondContact N-O 3.21Å; K691-V693 HydrophobicContact CD-CG2 4.36Å; K691-P714 WeakPolarHBondContact CA-O 3.33Å; K691-P714 HydrophobicContact CG-CB 4.26Å; K691-P714 VanDerWaalsContact CG-O 3.24Å; K691-P714 WeakPolarHBondContact CG-O 3.09Å; K691-M716 HydrophobicContact CD-CB 4.06Å; K691-E734 PolarHBondContact NZ-O 3.3Å; K691-E734 IonicContact NZ-OE2 3.41Å; K691-E734 PolarHBondContact NZ-OE2 3.42Å; K691-E736 IonicContact NZ-OE1 2.7Å
692	V	96.3	Very high	90.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124	166.3	-173.6	0	0	0	0	109.3	V665 M667 L680 L683 L689 V694 I711 V713 P714 I715 M716	V665-V692 HydrophobicContact CB-CG1 4.26Å; V665-V692 HydrophobicContact CB-CG2 4.26Å; V665-V692 HydrophobicContact CG1-CG1 4.15Å; V665-V692 CarbonylContact O-C 3.51Å; V665-V692 WeakPolarHBondContact O-CA 3.46Å; M667-V692 HydrophobicContact SD-CG1 4.35Å; L680-V692 HydrophobicContact CD2-CB 4.44Å; L680-V692 HydrophobicContact CD2-CG1 3.67Å; L683-V692 HydrophobicContact CD1-CG1 4.48Å; L683-V692 HydrophobicContact CD1-CG2 3.8Å; L689-V692 HydrophobicContact CD1-CG2 4.31Å; L689-V692 HydrophobicContact CD2-CG2 3.99Å; V692-V694 HydrophobicContact CG1-CG2 4.12Å; V692-I711 HydrophobicContact CB-CD1 4.47Å; V692-I711 HydrophobicContact CG2-CD1 3.51Å; V692-V713 HydrophobicContact CG2-CG2 4.45Å; V692-P714 PolarHBondContact N-O 3.33Å; V692-I715 HydrophobicContact CB-CG1 4.43Å; V692-I715 CarbonylContact O-C 3.54Å; V692-I715 WeakPolarHBondContact O-CA 3.44Å; V692-M716 PolarHBondContact O-N 2.65Å
693	V	97.3	Very high	90.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	109.7	173.9	173.5	0	0	0	0	108.2	T664 V665 V666 M667 K691 V695 M716 V718 I735	T664-V693 HydrophobicContact CG2-CB 4.42Å; T664-V693 HydrophobicContact CG2-CG2 3.7Å; V665-V693 PolarHBondContact O-N 2.81Å; V666-V693 WeakPolarHBondContact CA-O 3.47Å; V666-V693 HydrophobicContact CG2-CB 4.26Å; M667-V693 PolarHBondContact N-O 3.14Å; K691-V693 HydrophobicContact CD-CG2 4.36Å; V693-V695 HydrophobicContact CG1-CG2 4.21Å; V693-M716 CarbonylContact C-O 3.54Å; V693-M716 WeakPolarHBondContact CA-O 2.95Å; V693-M716 HydrophobicContact CB-CE 4.07Å; V693-M716 HydrophobicContact CG1-CE 3.65Å; V693-M716 HydrophobicContact CG2-CE 3.56Å; V693-V718 HydrophobicContact CG1-CG2 3.85Å; V693-I735 HydrophobicContact CG2-CG1 4.16Å
694	V	97.2	Very high	89.9	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	111.4	175	179.3	0	0	0	0	108.6	M667 T669 L676 L680 V692 W696 W708 I715 M716 V717 V718	M667-V694 CarbonylContact O-C 3.47Å; M667-V694 WeakPolarHBondContact O-CA 3.2Å; T669-V694 HydrophobicContact CG2-CG1 4.07Å; L676-V694 HydrophobicContact CD1-CG1 4.27Å; L676-V694 HydrophobicContact CD1-CG2 4.39Å; L676-V694 HydrophobicContact CD2-CG1 3.78Å; L680-V694 HydrophobicContact CD1-CG2 4.47Å; L680-V694 HydrophobicContact CD2-CG2 4.11Å; V692-V694 HydrophobicContact CG1-CG2 4.12Å; V694-W696 HydrophobicContact CG1-CE3 4.46Å; V694-W696 PolarHBondContact O-N 3.17Å; V694-W708 HydrophobicContact CB-CZ3 4.37Å; V694-W708 HydrophobicContact CG1-CH2 4.24Å; V694-W708 HydrophobicContact CG1-CZ3 4.39Å; V694-W708 HydrophobicContact CG2-CZ3 4.03Å; V694-I715 HydrophobicContact CG2-CG2 4.06Å; V694-M716 PolarHBondContact N-O 3.41Å; V694-V717 HydrophobicContact CB-CG2 4.45Å; V694-V717 HydrophobicContact CG1-CG1 4.49Å; V694-V717 CarbonylContact O-C 3.52Å; V694-V717 WeakPolarHBondContact O-CA 3.27Å; V694-V718 PolarHBondContact O-N 3.22Å
695	V	96.9	Very high	89.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	103.1	176.3	-179.2	0	0	0	0	108	V666 M667 L668 T669 V693 N697 T720 N727	V666-V695 HydrophobicContact CG1-CG2 3.88Å; M667-V695 PolarHBondContact O-N 2.94Å; L668-V695 WeakPolarHBondContact CA-O 3.5Å; L668-V695 HydrophobicContact CB-CB 4.33Å; L668-V695 HydrophobicContact CD1-CG1 4.35Å; L668-V695 HydrophobicContact CG-CG1 4.43Å; T669-V695 PolarHBondContact N-O 3.13Å; T669-V695 VanDerWaalsContact N-O 3.09Å; V693-V695 HydrophobicContact CG1-CG2 4.21Å; V695-N697 PolarHBondContact O-N 2.94Å; V695-T720 HydrophobicContact CG1-CG2 3.52Å; V695-N727 HydrophobicContact CG1-CB 3.6Å
696	W	95.6	Very high	89.7	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	99.5	-176.1	-166.3	-92.1	0	0	0	110.4	I553 T669 E673 L676 V694 S698 K700 P702 W708 V717 V718 T720	I553-W696 HydrophobicContact CD1-CB 3.99Å; I553-W696 HydrophobicContact CD1-CG 3.91Å; T669-W696 HydrophobicContact CG2-CD2 4.26Å; T669-W696 HydrophobicContact CG2-CE3 3.53Å; T669-W696 HydrophobicContact CG2-CZ3 3.82Å; E673-W696 HydrophobicContact CG-CH2 3.88Å; E673-W696 WeakPolarHBondContact OE1-CH2 3.45Å; L676-W696 HydrophobicContact CD2-CZ3 4.15Å; V694-W696 HydrophobicContact CG1-CE3 4.46Å; V694-W696 PolarHBondContact O-N 3.17Å; W696-S698 PolarHBondContact NE1-O 3.1Å; W696-K700 PolarHBondContact NE1-O 2.98Å; W696-P702 HydrophobicContact CD2-CG 3.81Å; W696-P702 VanDerWaalsContact CE2-CD 3.47Å; W696-P702 HydrophobicContact CE3-CG 3.87Å; W696-P702 HydrophobicContact CH2-CB 3.6Å; W696-P702 HydrophobicContact CH2-CG 3.55Å; W696-P702 HydrophobicContact CZ2-CB 3.81Å; W696-P702 HydrophobicContact CZ2-CG 3.52Å; W696-P702 VanDerWaalsContact CZ2-N 3.32Å; W696-P702 HydrophobicContact CZ3-CB 4.09Å; W696-P702 HydrophobicContact CZ3-CG 3.74Å; W696-W708 HydrophobicContact CZ3-CH2 4.3Å; W696-W708 HydrophobicContact CZ3-CZ2 4.44Å; W696-V717 HydrophobicContact CB-CG1 4.21Å; W696-V717 HydrophobicContact CE3-CG1 4.27Å; W696-V718 VanDerWaalsContact CB-O 3.25Å; W696-V718 WeakPolarHBondContact CB-O 3.26Å; W696-V718 PolarHBondContact N-O 3.1Å; W696-T720 PolarHBondContact O-N 3.09Å; W696-T720 PolarHBondContact O-OG1 3.43Å
697	N	94.4	Very high	89.8	Confident	3 Å²	3	46 Å²	46	2%	0.016	24%	0.242	C	C	.	.			trans	-91.3	-7.8	178.8	-91.9	27.1	0	0	0	113.5	L668 T669 Y670 V695 T720 N723 S724 N727	L668-N697 HydrophobicContact CD2-CB 4.29Å; L668-N697 HydrophobicContact CG-CB 4.44Å; T669-N697 WeakPolarHBondContact O-CB 3.44Å; T669-N697 PolarHBondContact O-N 2.87Å; T669-N697 VanDerWaalsContact O-N 3.1Å; Y670-N697 HydrophobicContact CD2-CB 4.34Å; V695-N697 PolarHBondContact O-N 2.94Å; N697-T720 PolarHBondContact OD1-OG1 3.02Å; N697-N723 PolarHBondContact ND2-OD1 2.89Å; N697-S724 VanDerWaalsContact ND2-C 3.33Å; N697-S724 PolarHBondContact ND2-N 2.79Å; N697-S724 VanDerWaalsContact ND2-N 3.16Å; N697-S724 PolarHBondContact ND2-O 3.49Å; N697-N727 PolarHBondContact OD1-ND2 2.96Å
698	S	90.6	Very high	90.2	Very high	14 Å²	14	46 Å²	46	10%	0.098	24%	0.242	C	C	.	.			trans	-69.3	139.9	179.9	-77.2	0	0	0	0	112.3	E671 W696 K700	E671-S698 PolarHBondContact N-OG 3.27Å; W696-S698 PolarHBondContact NE1-O 3.1Å; S698-K700 VanDerWaalsContact C-N 3.29Å; S698-K700 PolarHBondContact O-N 2.77Å
699	P	87.6	Confident	90.4	Very high	98 Å²	98	46.4 Å²	46.4	64%	0.636	25%	0.245	S	C	*	.	S	Bend	trans	-67.4	-32.5	177.6	26.6	-33.8	0	0	0	112.1
700	K	89.6	Confident	90.3	Very high	159 Å²	159	49.7 Å²	49.7	69%	0.691	26%	0.263	S	S	*	.	S	Bend	trans	-85.5	139.2	173.7	-64.2	178.8	-175.2	170.8	0	109.4	W696 S698	W696-K700 PolarHBondContact NE1-O 2.98Å; S698-K700 VanDerWaalsContact C-N 3.29Å; S698-K700 PolarHBondContact O-N 2.77Å
701	L	88.5	Confident	90	Very high	94 Å²	94	49.9 Å²	49.9	49%	0.492	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-65.3	155.5	171.7	-67.7	173.9	0	0	0	110.3	I553	I553-L701 HydrophobicContact CD1-CD2 3.85Å; I553-L701 HydrophobicContact CG1-CD2 4.4Å; I553-L701 HydrophobicContact CG2-CD2 4.5Å
702	P	87.8	Confident	89.5	Confident	17 Å²	17	52.2 Å²	52.2	11%	0.11	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-55.5	146.4	171.3	-12.6	22	0	0	0	110.5	I553 W696 E704 L706 W708	I553-P702 HydrophobicContact CD1-CG 4.39Å; I553-P702 HydrophobicContact CG2-CG 4.22Å; W696-P702 HydrophobicContact CD2-CG 3.81Å; W696-P702 VanDerWaalsContact CE2-CD 3.47Å; W696-P702 HydrophobicContact CE3-CG 3.87Å; W696-P702 HydrophobicContact CH2-CB 3.6Å; W696-P702 HydrophobicContact CH2-CG 3.55Å; W696-P702 HydrophobicContact CZ2-CB 3.81Å; W696-P702 HydrophobicContact CZ2-CG 3.52Å; W696-P702 VanDerWaalsContact CZ2-N 3.32Å; W696-P702 HydrophobicContact CZ3-CB 4.09Å; W696-P702 HydrophobicContact CZ3-CG 3.74Å; P702-E704 PolarHBondContact O-N 3.26Å; P702-L706 HydrophobicContact CB-CD2 4.2Å; P702-W708 HydrophobicContact CB-CZ2 4.25Å; P702-W708 HydrophobicContact CG-CZ2 4.22Å
703	S	85.4	Confident	89.1	Confident	67 Å²	67	53.8 Å²	53.8	47%	0.469	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-56.7	133.4	176.3	-58.4	0	0	0	0	111.4	E673 D705 L706	E673-S703 PolarHBondContact OE2-OG 2.93Å; S703-D705 PolarHBondContact O-N 2.99Å; S703-L706 WeakPolarHBondContact O-CB 3.21Å; S703-L706 PolarHBondContact O-N 2.94Å
704	E	81.5	Confident	88.8	Confident	187 Å²	187	56.8 Å²	56.8	87%	0.874	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.5	-178.1	-67.2	-171.2	174.9	0	0	113.3	P702 L706	P702-E704 PolarHBondContact O-N 3.26Å; E704-L706 VanDerWaalsContact C-N 3.29Å
705	D	80.5	Confident	88.6	Confident	163 Å²	163	57.3 Å²	57.3	87%	0.872	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-3.6	177.2	-64.3	-41.2	0	0	0	113.2	S703 L707	S703-D705 PolarHBondContact O-N 2.99Å; D705-L707 PolarHBondContact O-N 3.16Å
706	L	84.9	Confident	88.5	Confident	37 Å²	37	57.7 Å²	57.7	19%	0.194	33%	0.326	C	S	.	.			trans	-69.8	117.8	-178.5	-167.9	63.4	0	0	0	110.2	M677 P702 S703 E704 W708	M677-L706 HydrophobicContact CE-CD1 4.25Å; M677-L706 HydrophobicContact CE-CD2 3.3Å; M677-L706 HydrophobicContact CE-CG 3.67Å; M677-L706 HydrophobicContact CG-CD1 4.22Å; P702-L706 HydrophobicContact CB-CD2 4.2Å; S703-L706 WeakPolarHBondContact O-CB 3.21Å; S703-L706 PolarHBondContact O-N 2.94Å; E704-L706 VanDerWaalsContact C-N 3.29Å; L706-W708 HydrophobicContact CD2-CZ2 4.45Å
707	L	87.2	Confident	88.5	Confident	87 Å²	87	57.5 Å²	57.5	46%	0.455	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	112.9	175.7	-169.6	71.3	0	0	0	109.7	R556 D705	R556-L707 HydrophobicContact CB-CD1 4.49Å; D705-L707 PolarHBondContact O-N 3.16Å
708	W	90.7	Very high	88.5	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.015	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	140.7	178.7	-66.9	65.8	0	0	0	110.1	H555 R556 S557 G558 L676 M677 L680 V694 W696 P702 L706 D710 I715 V717	H555-W708 HydrophobicContact CB-CD2 4.41Å; H555-W708 HydrophobicContact CB-CG 4.22Å; H555-W708 AromaticContact CD2-CD1 3.89Å; H555-W708 AromaticContact CD2-CD2 3.88Å; H555-W708 AromaticContact CD2-CG 3.61Å; R556-W708 PolarHBondContact O-N 3.25Å; S557-W708 CarbonylContact C-O 3.44Å; S557-W708 VanDerWaalsContact CA-O 3.28Å; S557-W708 WeakPolarHBondContact CA-O 3.28Å; G558-W708 PolarHBondContact N-O 2.74Å; L676-W708 HydrophobicContact CD2-CH2 4.04Å; L676-W708 HydrophobicContact CD2-CZ3 4.18Å; M677-W708 HydrophobicContact CE-CD2 3.41Å; M677-W708 VanDerWaalsContact CE-CD2 3.41Å; M677-W708 VanDerWaalsContact CE-CE2 3.46Å; M677-W708 HydrophobicContact CE-CE3 3.6Å; M677-W708 HydrophobicContact CE-CG 3.95Å; M677-W708 HydrophobicContact CE-CH2 3.88Å; M677-W708 HydrophobicContact CE-CZ2 3.71Å; M677-W708 HydrophobicContact CE-CZ3 3.83Å; M677-W708 HydrophobicContact SD-CD2 4.31Å; M677-W708 HydrophobicContact SD-CE3 4.32Å; M677-W708 HydrophobicContact SD-CG 4.48Å; L680-W708 HydrophobicContact CD1-CE3 3.69Å; L680-W708 HydrophobicContact CD1-CZ3 3.66Å; V694-W708 HydrophobicContact CB-CZ3 4.37Å; V694-W708 HydrophobicContact CG1-CH2 4.24Å; V694-W708 HydrophobicContact CG1-CZ3 4.39Å; V694-W708 HydrophobicContact CG2-CZ3 4.03Å; W696-W708 HydrophobicContact CZ3-CH2 4.3Å; W696-W708 HydrophobicContact CZ3-CZ2 4.44Å; P702-W708 HydrophobicContact CB-CZ2 4.25Å; P702-W708 HydrophobicContact CG-CZ2 4.22Å; L706-W708 HydrophobicContact CD2-CZ2 4.45Å; W708-D710 PolarHBondContact O-N 3.49Å; W708-I715 HydrophobicContact CE3-CG2 3.79Å; W708-I715 HydrophobicContact CZ3-CG2 3.97Å; W708-V717 HydrophobicContact CD2-CG2 4.37Å; W708-V717 HydrophobicContact CE3-CG2 4.06Å; W708-V717 HydrophobicContact CH2-CB 4.27Å; W708-V717 HydrophobicContact CH2-CG1 3.91Å; W708-V717 HydrophobicContact CH2-CG2 3.3Å; W708-V717 HydrophobicContact CZ2-CG1 4.22Å; W708-V717 HydrophobicContact CZ2-CG2 3.65Å; W708-V717 HydrophobicContact CZ3-CG2 3.52Å
709	P	89.6	Confident	88.7	Confident	17 Å²	17	63.6 Å²	63.6	11%	0.11	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	132.4	-176.7	26.7	-33.9	0	0	0	111.3	M677 L680 E681 I711 I715	M677-P709 VanDerWaalsContact SD-CD 3.54Å; L680-P709 HydrophobicContact CB-CG 3.53Å; L680-P709 HydrophobicContact CD1-CG 4.42Å; E681-P709 HydrophobicContact CB-CB 4.2Å; E681-P709 HydrophobicContact CB-CG 4.48Å; P709-I711 HydrophobicContact CB-CG2 4.11Å; P709-I711 HydrophobicContact CG-CG2 4.21Å; P709-I711 PolarHBondContact O-N 2.67Å; P709-I711 VanDerWaalsContact O-N 3.15Å; P709-I715 HydrophobicContact CG-CD1 4.38Å; P709-I715 VanDerWaalsContact O-CD1 3.26Å; P709-I715 WeakPolarHBondContact O-CD1 2.98Å
710	D	88	Confident	89	Confident	77 Å²	77	59.8 Å²	59.8	41%	0.412	32%	0.321	S	S	.	.			trans	-76.4	96.4	168.5	179.3	15.5	0	0	0	110.2	G558 K559 W708 G712	G558-D710 PolarHBondContact O-N 3.41Å; G558-D710 VanDerWaalsContact O-N 3.15Å; K559-D710 HydrophobicContact CG-CB 4.37Å; W708-D710 PolarHBondContact O-N 3.49Å; D710-G712 PolarHBondContact OD1-N 3.08Å
711	I	86.8	Confident	88.9	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.021	34%	0.335	C	S	.	.			trans	-93.6	3	-177.1	61.1	170.2	0	0	0	113.7	L680 L683 N684 G685 L689 V692 P709 V713 I715	L680-I711 VanDerWaalsContact O-CG2 3.25Å; L680-I711 WeakPolarHBondContact O-CG2 3.35Å; L683-I711 HydrophobicContact CB-CD1 4.34Å; N684-I711 HydrophobicContact CB-CB 4.31Å; N684-I711 HydrophobicContact CB-CG2 4.18Å; N684-I711 PolarHBondContact OD1-O 3.26Å; G685-I711 PolarHBondContact N-O 3.48Å; L689-I711 HydrophobicContact CD2-CD1 4.31Å; V692-I711 HydrophobicContact CB-CD1 4.47Å; V692-I711 HydrophobicContact CG2-CD1 3.51Å; P709-I711 HydrophobicContact CB-CG2 4.11Å; P709-I711 HydrophobicContact CG-CG2 4.21Å; P709-I711 PolarHBondContact O-N 2.67Å; P709-I711 VanDerWaalsContact O-N 3.15Å; I711-V713 HydrophobicContact CD1-CG2 3.61Å; I711-V713 HydrophobicContact CG1-CG2 3.81Å; I711-I715 HydrophobicContact CD1-CD1 4.03Å; I711-I715 HydrophobicContact CD1-CG1 3.81Å; I711-I715 HydrophobicContact CG1-CD1 4.08Å; I711-I715 HydrophobicContact CG1-CG1 4.08Å
712	G	83.3	Confident	89.1	Confident	65 Å²	65	63.2 Å²	63.2	67%	0.67	34%	0.335	S	S	*	.	S	Bend	trans	87.2	-6.6	-178.4	0	0	0	0	0	115.8	D710	D710-G712 PolarHBondContact OD1-N 3.08Å
713	V	87.7	Confident	89.4	Confident	32 Å²	32	65.5 Å²	65.5	19%	0.194	35%	0.346	C	S	.	.	S	Bend	trans	-128.5	160.5	172.9	-61.2	0	0	0	0	110.5	L689 V692 I711 I715	L689-V713 HydrophobicContact CD2-CG2 3.5Å; L689-V713 HydrophobicContact CG-CG1 4.4Å; L689-V713 HydrophobicContact CG-CG2 3.82Å; L689-V713 WeakPolarHBondContact O-CG1 3.46Å; V692-V713 HydrophobicContact CG2-CG2 4.45Å; I711-V713 HydrophobicContact CD1-CG2 3.61Å; I711-V713 HydrophobicContact CG1-CG2 3.81Å; V713-I715 PolarHBondContact O-N 3.27Å
714	P	91.4	Very high	89.9	Confident	64 Å²	64	62.4 Å²	62.4	42%	0.416	33%	0.325	S	S	.	.			trans	-63.1	135.4	177.3	-18.2	31.1	0	0	0	111.8	P583 K691 V692	P583-P714 HydrophobicContact CG-CG 4.25Å; K691-P714 WeakPolarHBondContact CA-O 3.33Å; K691-P714 HydrophobicContact CG-CB 4.26Å; K691-P714 VanDerWaalsContact CG-O 3.24Å; K691-P714 WeakPolarHBondContact CG-O 3.09Å; V692-P714 PolarHBondContact N-O 3.33Å
715	I	93.8	Very high	90.5	Very high	11 Å²	11	54.4 Å²	54.4	6%	0.056	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.3	165.2	-58.3	172.7	0	0	0	106.5	H555 L680 V692 V694 W708 P709 I711 V713 V717	H555-I715 PolarHBondContact CE1-O 2.85Å; H555-I715 PolarHBondContact NE2-O 3.47Å; L680-I715 HydrophobicContact CD1-CD1 4.44Å; L680-I715 HydrophobicContact CD2-CD1 4.49Å; V692-I715 HydrophobicContact CB-CG1 4.43Å; V692-I715 CarbonylContact O-C 3.54Å; V692-I715 WeakPolarHBondContact O-CA 3.44Å; V694-I715 HydrophobicContact CG2-CG2 4.06Å; W708-I715 HydrophobicContact CE3-CG2 3.79Å; W708-I715 HydrophobicContact CZ3-CG2 3.97Å; P709-I715 HydrophobicContact CG-CD1 4.38Å; P709-I715 VanDerWaalsContact O-CD1 3.26Å; P709-I715 WeakPolarHBondContact O-CD1 2.98Å; I711-I715 HydrophobicContact CD1-CD1 4.03Å; I711-I715 HydrophobicContact CD1-CG1 3.81Å; I711-I715 HydrophobicContact CG1-CD1 4.08Å; I711-I715 HydrophobicContact CG1-CG1 4.08Å; V713-I715 PolarHBondContact O-N 3.27Å; I715-V717 HydrophobicContact CG2-CG2 4.34Å
716	M	94.6	Very high	91.3	Very high	7 Å²	7	47.3 Å²	47.3	3%	0.034	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.5	-179.1	-170	-83.7	-58.4	0	0	108.6	A550 E552 K691 V692 V693 V694 V718 E734	A550-M716 HydrophobicContact CB-CE 4.16Å; A550-M716 HydrophobicContact CB-SD 3.98Å; E552-M716 HydrophobicContact CG-CG 4.48Å; K691-M716 HydrophobicContact CD-CB 4.06Å; V692-M716 PolarHBondContact O-N 2.65Å; V693-M716 CarbonylContact C-O 3.54Å; V693-M716 WeakPolarHBondContact CA-O 2.95Å; V693-M716 HydrophobicContact CB-CE 4.07Å; V693-M716 HydrophobicContact CG1-CE 3.65Å; V693-M716 HydrophobicContact CG2-CE 3.56Å; V694-M716 PolarHBondContact N-O 3.41Å; M716-V718 HydrophobicContact CE-CG2 3.28Å; M716-V718 HydrophobicContact SD-CB 4.42Å; M716-V718 HydrophobicContact SD-CG2 3.23Å; M716-V718 WeakPolarHBondContact SD-CG2 3.49Å; M716-E734 HydrophobicContact CE-CB 3.24Å; M716-E734 HydrophobicContact CE-CG 3.43Å; M716-E734 VanDerWaalsContact CE-CG 3.43Å; M716-E734 HydrophobicContact CG-CG 4.24Å; M716-E734 HydrophobicContact SD-CB 4.39Å; M716-E734 HydrophobicContact SD-CG 3.95Å
717	V	95.1	Very high	91.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	109.4	-173	-171.3	0	0	0	0	108.3	E552 I553 V694 W696 W708 I715	E552-V717 CarbonylContact C-O 3.57Å; E552-V717 WeakPolarHBondContact CA-O 3.35Å; I553-V717 HydrophobicContact CB-CB 4.21Å; I553-V717 HydrophobicContact CB-CG1 4.09Å; I553-V717 HydrophobicContact CD1-CG1 4.05Å; I553-V717 HydrophobicContact CG1-CG1 4.36Å; I553-V717 PolarHBondContact N-O 3.26Å; V694-V717 HydrophobicContact CB-CG2 4.45Å; V694-V717 HydrophobicContact CG1-CG1 4.49Å; V694-V717 CarbonylContact O-C 3.52Å; V694-V717 WeakPolarHBondContact O-CA 3.27Å; W696-V717 HydrophobicContact CB-CG1 4.21Å; W696-V717 HydrophobicContact CE3-CG1 4.27Å; W708-V717 HydrophobicContact CD2-CG2 4.37Å; W708-V717 HydrophobicContact CE3-CG2 4.06Å; W708-V717 HydrophobicContact CH2-CB 4.27Å; W708-V717 HydrophobicContact CH2-CG1 3.91Å; W708-V717 HydrophobicContact CH2-CG2 3.3Å; W708-V717 HydrophobicContact CZ2-CG1 4.22Å; W708-V717 HydrophobicContact CZ2-CG2 3.65Å; W708-V717 HydrophobicContact CZ3-CG2 3.52Å; I715-V717 HydrophobicContact CG2-CG2 4.34Å
718	V	95	Very high	92.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.1	-177.1	-172.1	0	0	0	0	109.8	A550 V693 V694 W696 M716 W732	A550-V718 HydrophobicContact CB-CG1 4.22Å; A550-V718 HydrophobicContact CB-CG2 3.95Å; V693-V718 HydrophobicContact CG1-CG2 3.85Å; V694-V718 PolarHBondContact O-N 3.22Å; W696-V718 VanDerWaalsContact CB-O 3.25Å; W696-V718 WeakPolarHBondContact CB-O 3.26Å; W696-V718 PolarHBondContact N-O 3.1Å; M716-V718 HydrophobicContact CE-CG2 3.28Å; M716-V718 HydrophobicContact SD-CB 4.42Å; M716-V718 HydrophobicContact SD-CG2 3.23Å; M716-V718 WeakPolarHBondContact SD-CG2 3.49Å; V718-W732 HydrophobicContact CG1-CD2 4.19Å; V718-W732 HydrophobicContact CG1-CE3 4.12Å; V718-W732 HydrophobicContact CG1-CH2 3.68Å; V718-W732 HydrophobicContact CG1-CZ2 3.72Å; V718-W732 HydrophobicContact CG1-CZ3 3.9Å
719	R	93.8	Very high	92.6	Very high	146 Å²	146	42.3 Å²	42.3	55%	0.551	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	134	168	-172.2	174.8	179	176.5	0.6	110.4	A551 I553	A551-R719 HydrophobicContact CB-CB 4.33Å; A551-R719 WeakPolarHBondContact O-CB 3.36Å; A551-R719 PolarHBondContact O-N 2.89Å; I553-R719 HydrophobicContact CD1-CB 3.89Å; I553-R719 HydrophobicContact CD1-CG 4.39Å; I553-R719 HydrophobicContact CG1-CB 3.77Å
720	T	93.1	Very high	92.9	Very high	17 Å²	17	43.2 Å²	43.2	10%	0.104	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-103.9	155.2	173.6	63.4	0	0	0	0	111.7	V695 W696 N697 N727	V695-T720 HydrophobicContact CG1-CG2 3.52Å; W696-T720 PolarHBondContact O-N 3.09Å; W696-T720 PolarHBondContact O-OG1 3.43Å; N697-T720 PolarHBondContact OD1-OG1 3.02Å; T720-N727 VanDerWaalsContact CB-ND2 3.33Å; T720-N727 WeakPolarHBondContact CB-ND2 3.19Å; T720-N727 HydrophobicContact CG2-CB 3.86Å; T720-N727 WeakPolarHBondContact CG2-ND2 3.4Å
721	E	89.1	Confident	93.3	Very high	209 Å²	209	39.6 Å²	39.6	98%	0.977	21%	0.208	S	C	*	.	S	Bend	trans	-75.2	-36.4	-179.3	-63.3	-174.4	165.2	0	0	112.6
722	K	92.3	Very high	93.8	Very high	116 Å²	116	40.1 Å²	40.1	50%	0.504	21%	0.21	S	C	.	.	S	Bend	trans	-143.1	154.2	-178.6	67.9	178.7	-172	172.3	0	110.4	S724 N727 D826	K722-S724 PolarHBondContact O-N 3.19Å; K722-S724 VanDerWaalsContact O-N 3.1Å; K722-N727 PolarHBondContact O-ND2 3.26Å; K722-D826 WeakPolarHBondContact CE-OD2 3.37Å; K722-D826 IonicContact NZ-OD2 3.79Å; K722-D826 PolarHBondContact NZ-OD2 2.96Å
723	N	93.3	Very high	94.3	Very high	65 Å²	65	39.7 Å²	39.7	35%	0.348	19%	0.192	S	C	.	.			trans	-67.8	108	170.3	-179.2	24.3	0	0	0	109.6	Y670 N697	Y670-N723 HydrophobicContact CE2-CB 4.35Å; Y670-N723 WeakPolarHBondContact CE2-ND2 3.38Å; N697-N723 PolarHBondContact ND2-OD1 2.89Å
724	S	95.6	Very high	94.6	Very high	3 Å²	3	41 Å²	41	2%	0.021	20%	0.196	C	C	.	.			trans	-149.7	132.7	-179.2	169.1	0	0	0	0	110.5	N697 K722 N726 N727 D826	N697-S724 VanDerWaalsContact ND2-C 3.33Å; N697-S724 PolarHBondContact ND2-N 2.79Å; N697-S724 VanDerWaalsContact ND2-N 3.16Å; N697-S724 PolarHBondContact ND2-O 3.49Å; K722-S724 PolarHBondContact O-N 3.19Å; K722-S724 VanDerWaalsContact O-N 3.1Å; S724-N726 PolarHBondContact O-N 2.96Å; S724-N726 WeakPolarHBondContact OG-CB 3.45Å; S724-N726 PolarHBondContact OG-N 2.83Å; S724-N726 VanDerWaalsContact OG-N 3.12Å; S724-N726 PolarHBondContact OG-ND2 3.26Å; S724-N727 WeakPolarHBondContact O-CB 3.45Å; S724-N727 PolarHBondContact O-N 3.15Å; S724-N727 PolarHBondContact O-ND2 3.3Å; S724-D826 VanDerWaalsContact CB-OD1 3.27Å; S724-D826 WeakPolarHBondContact CB-OD1 3.11Å; S724-D826 PolarHBondContact OG-OD1 2.54Å
725	L	95.7	Very high	94.9	Very high	19 Å²	19	38 Å²	38	10%	0.099	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-66.9	-21.3	174.6	-63.1	-173.8	0	0	0	112.4	L668 N727 R728 V825 I829 E832	L668-L725 HydrophobicContact CD2-CD2 4.23Å; L725-N727 PolarHBondContact O-N 3.34Å; L725-R728 WeakPolarHBondContact O-CG 3.28Å; L725-V825 HydrophobicContact CB-CG1 4.28Å; L725-I829 HydrophobicContact CD1-CG2 4.1Å; L725-I829 VanDerWaalsContact CD1-O 3.27Å; L725-I829 WeakPolarHBondContact CD1-O 3.31Å; L725-I829 HydrophobicContact CD2-CG2 4.34Å; L725-I829 HydrophobicContact CG-CG2 3.88Å; L725-E832 HydrophobicContact CB-CB 4.06Å; L725-E832 HydrophobicContact CB-CG 3.98Å; L725-E832 WeakPolarHBondContact CD1-OE2 3.16Å
726	N	96.9	Very high	94.9	Very high	13 Å²	13	41.1 Å²	41.1	7%	0.07	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-62.6	-25.2	176.1	-66.2	-59.7	0	0	0	112.6	S724 R728 F729 Y813 R822 V825 D826	S724-N726 PolarHBondContact O-N 2.96Å; S724-N726 WeakPolarHBondContact OG-CB 3.45Å; S724-N726 PolarHBondContact OG-N 2.83Å; S724-N726 VanDerWaalsContact OG-N 3.12Å; S724-N726 PolarHBondContact OG-ND2 3.26Å; N726-R728 PolarHBondContact O-N 2.83Å; N726-R728 VanDerWaalsContact O-N 3.12Å; N726-F729 PolarHBondContact O-N 3.5Å; N726-Y813 HydrophobicContact CB-CE1 4.27Å; N726-Y813 VanDerWaalsContact OD1-CE1 3.23Å; N726-Y813 WeakPolarHBondContact OD1-CE1 3.41Å; N726-Y813 PolarHBondContact OD1-OH 3.34Å; N726-R822 PolarHBondContact ND2-O 2.9Å; N726-V825 WeakPolarHBondContact OD1-CG1 3.35Å; N726-D826 VanDerWaalsContact ND2-CG 3.35Å; N726-D826 PolarHBondContact ND2-OD1 2.83Å
727	N	96.4	Very high	94.9	Very high	15 Å²	15	40.8 Å²	40.8	8%	0.08	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-59.3	-27.6	-174.9	-66.3	-23.7	0	0	0	113.5	L668 V695 N697 T720 K722 S724 L725 F729 L730 W732	L668-N727 HydrophobicContact CD1-CB 4.5Å; V695-N727 HydrophobicContact CG1-CB 3.6Å; N697-N727 PolarHBondContact OD1-ND2 2.96Å; T720-N727 VanDerWaalsContact CB-ND2 3.33Å; T720-N727 WeakPolarHBondContact CB-ND2 3.19Å; T720-N727 HydrophobicContact CG2-CB 3.86Å; T720-N727 WeakPolarHBondContact CG2-ND2 3.4Å; K722-N727 PolarHBondContact O-ND2 3.26Å; S724-N727 WeakPolarHBondContact O-CB 3.45Å; S724-N727 PolarHBondContact O-N 3.15Å; S724-N727 PolarHBondContact O-ND2 3.3Å; L725-N727 PolarHBondContact O-N 3.34Å; N727-F729 PolarHBondContact O-N 2.81Å; N727-L730 HydrophobicContact CB-CD1 4.41Å; N727-L730 PolarHBondContact O-N 3.26Å; N727-W732 PolarHBondContact O-NE1 3.05Å
728	R	95.5	Very high	94.9	Very high	8 Å²	8	42.1 Å²	42.1	3%	0.03	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-70.4	-17.8	178.1	80.1	-172	-61.9	172.5	11.7	113.8	V666 L668 L725 N726 S742 I743 D744 E832	V666-R728 HydrophobicContact CG1-CB 4.28Å; L668-R728 HydrophobicContact CB-CB 4.06Å; L668-R728 HydrophobicContact CD1-CB 3.88Å; L725-R728 WeakPolarHBondContact O-CG 3.28Å; N726-R728 PolarHBondContact O-N 2.83Å; N726-R728 VanDerWaalsContact O-N 3.12Å; R728-S742 PolarHBondContact NE-OG 3.27Å; R728-S742 PolarHBondContact NH2-OG 3.23Å; R728-I743 VanDerWaalsContact NH2-C 3.27Å; R728-I743 PolarHBondContact NH2-O 3.34Å; R728-D744 IonicContact CZ-OD1 2.97Å; R728-D744 VanDerWaalsContact CZ-OD1 3.29Å; R728-D744 IonicContact NH1-OD1 3.46Å; R728-D744 PolarHBondContact NH1-OD1 2.82Å; R728-D744 IonicContact NH2-OD1 3Å; R728-D744 PolarHBondContact NH2-OD1 2.9Å; R728-E832 IonicContact NH1-OE1 2.68Å
729	F	97.5	Very high	95	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-103.9	2.6	-179.8	-58.3	-50.2	0	0	0	113.2	N726 N727 T800 F805 A810 Y813 S814 E832 M836	N726-F729 PolarHBondContact O-N 3.5Å; N727-F729 PolarHBondContact O-N 2.81Å; F729-T800 HydrophobicContact CE1-CG2 4.22Å; F729-T800 HydrophobicContact CZ-CG2 4.09Å; F729-T800 WeakPolarHBondContact CZ-OG1 3.26Å; F729-F805 HydrophobicContact CD1-CE1 4.24Å; F729-F805 AromaticContact CD1-CZ 3.8Å; F729-F805 HydrophobicContact CD1-CZ 3.8Å; F729-F805 HydrophobicContact CE1-CE1 4.04Å; F729-F805 HydrophobicContact CE1-CZ 4.09Å; F729-A810 WeakPolarHBondContact O-CA 3.45Å; F729-A810 VanDerWaalsContact O-CB 3.26Å; F729-A810 WeakPolarHBondContact O-CB 3.41Å; F729-Y813 HydrophobicContact CB-CD1 3.75Å; F729-Y813 HydrophobicContact CB-CE1 4.15Å; F729-Y813 HydrophobicContact CB-CG 4.07Å; F729-Y813 HydrophobicContact CD2-CD1 4.06Å; F729-Y813 HydrophobicContact CD2-CD2 4.15Å; F729-Y813 AromaticContact CD2-CE1 3.73Å; F729-Y813 HydrophobicContact CD2-CE1 3.73Å; F729-Y813 AromaticContact CD2-CE2 3.81Å; F729-Y813 HydrophobicContact CD2-CE2 3.81Å; F729-Y813 HydrophobicContact CD2-CG 4.28Å; F729-Y813 AromaticContact CD2-CZ 3.61Å; F729-Y813 HydrophobicContact CE2-CE2 4.09Å; F729-Y813 HydrophobicContact CG-CD1 4.32Å; F729-Y813 HydrophobicContact CG-CE1 4.41Å; F729-Y813 HydrophobicContact CG-CG 4.43Å; F729-S814 PolarHBondContact O-OG 3.23Å; F729-E832 HydrophobicContact CE2-CB 3.78Å; F729-E832 HydrophobicContact CE2-CG 3.59Å; F729-E832 HydrophobicContact CZ-CG 4.08Å; F729-M836 HydrophobicContact CB-CE 4.08Å; F729-M836 HydrophobicContact CD1-CE 3.44Å; F729-M836 VanDerWaalsContact CD1-CE 3.44Å; F729-M836 HydrophobicContact CD2-CE 4.07Å; F729-M836 HydrophobicContact CE1-CE 3.77Å; F729-M836 HydrophobicContact CE2-CB 4.43Å; F729-M836 HydrophobicContact CE2-CE 4.32Å; F729-M836 HydrophobicContact CG-CE 3.61Å; F729-M836 HydrophobicContact CZ-CB 4.18Å; F729-M836 HydrophobicContact CZ-CE 4.2Å
730	L	96.9	Very high	95.2	Very high	36 Å²	36	35.4 Å²	35.4	19%	0.188	17%	0.171	C	C	.	.	S	Bend	trans	-63.6	135.9	174.4	-67.6	173.1	0	0	0	109.9	E548 N727 W732	E548-L730 HydrophobicContact CG-CB 4.29Å; E548-L730 HydrophobicContact CG-CD2 4.23Å; N727-L730 HydrophobicContact CB-CD1 4.41Å; N727-L730 PolarHBondContact O-N 3.26Å; L730-W732 HydrophobicContact CB-CD2 4.22Å; L730-W732 HydrophobicContact CB-CZ2 3.99Å; L730-W732 HydrophobicContact CD1-CH2 3.7Å; L730-W732 HydrophobicContact CD1-CZ2 3.43Å; L730-W732 VanDerWaalsContact CD1-CZ2 3.43Å; L730-W732 HydrophobicContact CG-CZ2 4.32Å; L730-W732 PolarHBondContact O-N 2.98Å
731	P	96.3	Very high	95.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.166	C	C	.	.			trans	-79	68.3	-180	33.3	-36.3	0	0	0	110.2	E548 N733 A810 Y811 S814 Y815	E548-P731 HydrophobicContact CG-CG 4.47Å; E548-P731 PolarHBondContact N-O 3.27Å; P731-N733 PolarHBondContact O-N 2.93Å; P731-A810 HydrophobicContact CB-CB 4.2Å; P731-Y811 HydrophobicContact CB-CD1 3.53Å; P731-Y811 HydrophobicContact CB-CD2 4.37Å; P731-Y811 HydrophobicContact CB-CE1 3.43Å; P731-Y811 VanDerWaalsContact CB-CE1 3.43Å; P731-Y811 HydrophobicContact CB-CE2 4.31Å; P731-Y811 HydrophobicContact CB-CG 4.01Å; P731-Y811 HydrophobicContact CG-CD1 3.64Å; P731-Y811 HydrophobicContact CG-CE1 3.85Å; P731-Y811 HydrophobicContact CG-CG 4.34Å; P731-S814 WeakPolarHBondContact CD-OG 3.44Å; P731-Y815 HydrophobicContact CG-CE2 3.65Å
732	W	96.4	Very high	95.8	Very high	16 Å²	16	24.6 Å²	24.6	6%	0.061	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-53.8	136.1	178.4	-60	112.6	0	0	0	110.8	E548 A549 A550 V718 N727 L730 E734 I735 K807	E548-W732 HydrophobicContact CB-CD2 4.4Å; E548-W732 HydrophobicContact CB-CE3 3.68Å; E548-W732 HydrophobicContact CB-CZ3 3.86Å; E548-W732 CarbonylContact O-C 3.52Å; E548-W732 WeakPolarHBondContact O-CA 3.45Å; A549-W732 WeakPolarHBondContact O-CZ3 3.33Å; A550-W732 HydrophobicContact CB-CE3 4.24Å; V718-W732 HydrophobicContact CG1-CD2 4.19Å; V718-W732 HydrophobicContact CG1-CE3 4.12Å; V718-W732 HydrophobicContact CG1-CH2 3.68Å; V718-W732 HydrophobicContact CG1-CZ2 3.72Å; V718-W732 HydrophobicContact CG1-CZ3 3.9Å; N727-W732 PolarHBondContact O-NE1 3.05Å; L730-W732 HydrophobicContact CB-CD2 4.22Å; L730-W732 HydrophobicContact CB-CZ2 3.99Å; L730-W732 HydrophobicContact CD1-CH2 3.7Å; L730-W732 HydrophobicContact CD1-CZ2 3.43Å; L730-W732 VanDerWaalsContact CD1-CZ2 3.43Å; L730-W732 HydrophobicContact CG-CZ2 4.32Å; L730-W732 PolarHBondContact O-N 2.98Å; W732-E734 PolarHBondContact O-N 3.35Å; W732-I735 HydrophobicContact CB-CD1 4.08Å; W732-I735 HydrophobicContact CB-CG1 4.13Å; W732-I735 PolarHBondContact O-N 3.13Å; W732-I735 VanDerWaalsContact O-N 3.11Å; W732-K807 PolarHBondContact O-NZ 3.18Å
733	N	94.6	Very high	96	Very high	56 Å²	56	19.4 Å²	19.4	30%	0.299	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.2	176.3	64.8	-36	0	0	0	112.2	E547 E548 A550 P731 I735	E547-N733 HydrophobicContact CB-CB 4.14Å; E548-N733 PolarHBondContact O-N 3.33Å; E548-N733 PolarHBondContact O-OD1 3.49Å; A550-N733 PolarHBondContact N-OD1 3.35Å; P731-N733 PolarHBondContact O-N 2.93Å; N733-I735 VanDerWaalsContact C-N 3.27Å; N733-I735 PolarHBondContact O-N 3.36Å
734	E	94.3	Very high	95.9	Very high	58 Å²	58	19 Å²	19	27%	0.271	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-14.4	178.1	-67.5	-61	140.7	0	0	115.3	A550 K691 M716 W732 E736	A550-E734 HydrophobicContact CB-CB 4.49Å; A550-E734 HydrophobicContact CB-CG 3.6Å; K691-E734 PolarHBondContact NZ-O 3.3Å; K691-E734 IonicContact NZ-OE2 3.41Å; K691-E734 PolarHBondContact NZ-OE2 3.42Å; M716-E734 HydrophobicContact CE-CB 3.24Å; M716-E734 HydrophobicContact CE-CG 3.43Å; M716-E734 VanDerWaalsContact CE-CG 3.43Å; M716-E734 HydrophobicContact CG-CG 4.24Å; M716-E734 HydrophobicContact SD-CB 4.39Å; M716-E734 HydrophobicContact SD-CG 3.95Å; W732-E734 PolarHBondContact O-N 3.35Å; E734-E736 PolarHBondContact O-N 3.27Å
735	I	96.1	Very high	95.6	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.01	10%	0.095	C	C	.	.			trans	-82.1	98.3	174.4	-59.6	170.2	0	0	0	107.9	T664 V666 V693 W732 N733 I740 K807	T664-I735 HydrophobicContact CG2-CG1 4.21Å; T664-I735 HydrophobicContact CG2-CG2 4.33Å; V666-I735 HydrophobicContact CG2-CD1 3.99Å; V693-I735 HydrophobicContact CG2-CG1 4.16Å; W732-I735 HydrophobicContact CB-CD1 4.08Å; W732-I735 HydrophobicContact CB-CG1 4.13Å; W732-I735 PolarHBondContact O-N 3.13Å; W732-I735 VanDerWaalsContact O-N 3.11Å; N733-I735 VanDerWaalsContact C-N 3.27Å; N733-I735 PolarHBondContact O-N 3.36Å; I735-I740 HydrophobicContact CD1-CD1 4.12Å; I735-I740 HydrophobicContact CG2-CD1 4.02Å; I735-I740 HydrophobicContact CG2-CG1 3.86Å; I735-K807 HydrophobicContact CB-CD 4.28Å; I735-K807 HydrophobicContact CG2-CD 3.89Å; I735-K807 HydrophobicContact CG2-CG 4.46Å; I735-K807 WeakPolarHBondContact O-CE 3.25Å; I735-K807 PolarHBondContact O-NZ 3.37Å
736	E	93.6	Very high	95.1	Very high	77 Å²	77	19.6 Å²	19.6	36%	0.36	10%	0.098	S	C	.	.			trans	-95.5	3	-173.8	-66	175.6	-171.1	0	0	113.8	A585 S586 K691 E734	A585-E736 HydrophobicContact CB-CB 3.82Å; S586-E736 WeakPolarHBondContact CB-O 3.36Å; S586-E736 PolarHBondContact N-O 3.34Å; K691-E736 IonicContact NZ-OE1 2.7Å; E734-E736 PolarHBondContact O-N 3.27Å
737	T	95.3	Very high	94.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-110.5	150.4	-177.2	60.2	0	0	0	0	112.5	Q662 T664 N690 A739	Q662-T737 HydrophobicContact CB-CG2 4.18Å; Q662-T737 WeakPolarHBondContact O-CB 3.47Å; Q662-T737 WeakPolarHBondContact O-CG2 3.48Å; T664-T737 WeakPolarHBondContact CB-OG1 3.41Å; T664-T737 PolarHBondContact N-OG1 2.96Å; T664-T737 PolarHBondContact OG1-OG1 3.13Å; N690-T737 HydrophobicContact CB-CG2 3.58Å; T737-A739 VanDerWaalsContact C-N 3.34Å; T737-A739 PolarHBondContact OG1-O 2.85Å
738	E	94.9	Very high	94.1	Very high	28 Å²	28	20.9 Å²	20.9	13%	0.131	10%	0.104	C	C	.	.	S	Bend	trans	-65.1	-37.3	171.5	-77.4	169.8	-129.3	0	0	112.6	S586 H616 W761 R765 H806 K807	S586-E738 PolarHBondContact OG-N 3.2Å; S586-E738 VanDerWaalsContact OG-N 3.11Å; H616-E738 HydrophobicContact CB-CG 3.82Å; H616-E738 WeakPolarHBondContact CD2-CG 3.47Å; E738-W761 HydrophobicContact CB-CH2 4.11Å; E738-R765 IonicContact OE2-NH1 3.24Å; E738-R765 PolarHBondContact OE2-NH1 3.41Å; E738-H806 CarbonylContact O-C 3.27Å; E738-H806 WeakPolarHBondContact O-CA 3.09Å; E738-H806 IonicContact OE2-NE2 3.27Å; E738-K807 PolarHBondContact O-N 2.87Å
739	A	96.7	Very high	93.7	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	130.9	-180	0	0	0	0	0	111.2	F663 T664 T737 F758 W761	F663-A739 WeakPolarHBondContact CA-O 3.44Å; F663-A739 HydrophobicContact CB-CB 3.61Å; T664-A739 PolarHBondContact N-O 3.13Å; T664-A739 VanDerWaalsContact N-O 3.16Å; T737-A739 VanDerWaalsContact C-N 3.34Å; T737-A739 PolarHBondContact OG1-O 2.85Å; A739-F758 HydrophobicContact CB-CD2 4.27Å; A739-F758 HydrophobicContact CB-CE2 3.71Å; A739-W761 HydrophobicContact CB-CD2 4.28Å; A739-W761 HydrophobicContact CB-CE3 3.82Å; A739-W761 HydrophobicContact CB-CH2 3.56Å; A739-W761 HydrophobicContact CB-CZ2 3.99Å; A739-W761 HydrophobicContact CB-CZ3 3.49Å; A739-W761 VanDerWaalsContact CB-CZ3 3.49Å
740	I	98.2	Very high	93.2	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.015	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.4	169.2	-63.4	172.2	0	0	0	107.9	T664 V666 I735 F804 F805 K807 A810	T664-I740 WeakPolarHBondContact O-CA 3.47Å; V666-I740 HydrophobicContact CB-CG2 4.17Å; V666-I740 HydrophobicContact CG2-CG2 3.66Å; I735-I740 HydrophobicContact CD1-CD1 4.12Å; I735-I740 HydrophobicContact CG2-CD1 4.02Å; I735-I740 HydrophobicContact CG2-CG1 3.86Å; I740-F804 VanDerWaalsContact O-CA 3.26Å; I740-F804 WeakPolarHBondContact O-CA 3.23Å; I740-F805 HydrophobicContact CB-CE1 4.33Å; I740-F805 HydrophobicContact CB-CE2 4.17Å; I740-F805 HydrophobicContact CB-CZ 4.03Å; I740-F805 HydrophobicContact CD1-CE2 3.88Å; I740-F805 HydrophobicContact CD1-CZ 4.16Å; I740-F805 HydrophobicContact CG2-CE1 3.98Å; I740-F805 HydrophobicContact CG2-CE2 4.37Å; I740-F805 HydrophobicContact CG2-CZ 3.75Å; I740-F805 PolarHBondContact N-O 3.1Å; I740-F805 PolarHBondContact O-N 3.5Å; I740-K807 HydrophobicContact CD1-CB 3.79Å; I740-K807 HydrophobicContact CD1-CG 4.08Å; I740-K807 HydrophobicContact CG1-CB 4.22Å; I740-A810 HydrophobicContact CD1-CB 4.48Å
741	L	98.2	Very high	92.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	102.8	162.2	177.4	54.5	0	0	0	108.3	F663 T664 V665 V666 I754 F804	F663-L741 HydrophobicContact CD2-CB 4.07Å; F663-L741 HydrophobicContact CE2-CB 4.38Å; F663-L741 HydrophobicContact CE2-CD2 4.2Å; T664-L741 PolarHBondContact O-N 2.96Å; V665-L741 CarbonylContact C-O 3.53Å; V665-L741 WeakPolarHBondContact CA-O 3.41Å; V665-L741 HydrophobicContact CG2-CB 4.1Å; V665-L741 HydrophobicContact CG2-CD2 4.06Å; V665-L741 HydrophobicContact CG2-CG 4.36Å; V666-L741 PolarHBondContact N-O 2.97Å; L741-I754 HydrophobicContact CD2-CD1 4.42Å; L741-I754 HydrophobicContact CD2-CG1 4.29Å; L741-I754 HydrophobicContact CD2-CG2 3.69Å; L741-F804 HydrophobicContact CB-CD1 3.98Å; L741-F804 HydrophobicContact CB-CE1 3.6Å; L741-F804 HydrophobicContact CB-CZ 3.89Å; L741-F804 HydrophobicContact CD1-CD1 4.49Å; L741-F804 HydrophobicContact CD1-CD2 3.96Å; L741-F804 HydrophobicContact CD1-CE1 4.37Å; L741-F804 HydrophobicContact CD1-CE2 3.79Å; L741-F804 HydrophobicContact CD1-CG 4.31Å; L741-F804 HydrophobicContact CD1-CZ 4.01Å; L741-F804 HydrophobicContact CD2-CE1 4.42Å; L741-F804 HydrophobicContact CD2-CE2 4.24Å; L741-F804 HydrophobicContact CD2-CZ 3.85Å; L741-F804 HydrophobicContact CG-CE1 4.34Å; L741-F804 HydrophobicContact CG-CE2 4.41Å; L741-F804 HydrophobicContact CG-CZ 4.13Å
742	S	97.8	Very high	92	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125.7	169.9	171.9	0	0	0	0	108.9	R728 T800 A802 A803	R728-S742 PolarHBondContact NE-OG 3.27Å; R728-S742 PolarHBondContact NH2-OG 3.23Å; S742-T800 CarbonylContact C-O 3.51Å; S742-T800 WeakPolarHBondContact CB-O 3.41Å; S742-T800 PolarHBondContact OG-O 3.16Å; S742-A802 WeakPolarHBondContact O-CA 3.21Å; S742-A802 PolarHBondContact O-N 3.14Å; S742-A803 PolarHBondContact N-O 2.9Å; S742-A803 PolarHBondContact O-N 3.26Å
743	I	95.3	Very high	91.6	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.031	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	138.1	-177.5	-166.6	173.4	0	0	0	110.2	V665 V666 M667 R728 A747 L749 G801	V665-I743 HydrophobicContact CG1-CG2 3.63Å; V666-I743 PolarHBondContact O-N 2.8Å; V666-I743 VanDerWaalsContact O-N 3.07Å; M667-I743 HydrophobicContact CE-CG2 3.41Å; M667-I743 VanDerWaalsContact CE-CG2 3.41Å; M667-I743 HydrophobicContact CG-CG2 3.38Å; M667-I743 HydrophobicContact SD-CG2 4.25Å; R728-I743 VanDerWaalsContact NH2-C 3.27Å; R728-I743 PolarHBondContact NH2-O 3.34Å; I743-A747 HydrophobicContact CD1-CB 4.24Å; I743-A747 HydrophobicContact CG1-CB 3.69Å; I743-L749 HydrophobicContact CD1-CD1 3.95Å; I743-L749 HydrophobicContact CD1-CG 4.47Å; I743-G801 CarbonylContact C-O 3.47Å; I743-G801 VanDerWaalsContact CA-O 3.24Å; I743-G801 WeakPolarHBondContact CA-O 3.42Å
744	D	92.6	Very high	91.4	Very high	56 Å²	56	20.7 Å²	20.7	30%	0.299	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	150.1	173.3	-64.7	-17	0	0	0	109.9	R728 D746 A747 G801	R728-D744 IonicContact CZ-OD1 2.97Å; R728-D744 VanDerWaalsContact CZ-OD1 3.29Å; R728-D744 IonicContact NH1-OD1 3.46Å; R728-D744 PolarHBondContact NH1-OD1 2.82Å; R728-D744 IonicContact NH2-OD1 3Å; R728-D744 PolarHBondContact NH2-OD1 2.9Å; D744-D746 PolarHBondContact O-N 3.39Å; D744-D746 VanDerWaalsContact O-N 3.07Å; D744-A747 HydrophobicContact CB-CB 4.23Å; D744-A747 PolarHBondContact O-N 3Å; D744-A747 VanDerWaalsContact O-N 3.1Å; D744-G801 PolarHBondContact N-O 3.3Å; D744-G801 WeakPolarHBondContact OD1-CA 3.36Å; D744-G801 VanDerWaalsContact OD2-CA 3.27Å; D744-G801 WeakPolarHBondContact OD2-CA 3.43Å
745	D	89	Confident	91.1	Very high	8 Å²	8	17.9 Å²	17.9	4%	0.043	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.1	-177.1	64.3	-0	0	0	0	113.6	T669 R672 V675 L676 S679	T669-D745 WeakPolarHBondContact CA-OD2 3.27Å; T669-D745 WeakPolarHBondContact CB-OD2 3.38Å; T669-D745 PolarHBondContact OG1-OD2 2.83Å; R672-D745 WeakPolarHBondContact CB-OD2 3.45Å; R672-D745 WeakPolarHBondContact CD-OD2 3.32Å; R672-D745 IonicContact NH1-OD1 2.82Å; R672-D745 PolarHBondContact NH1-OD1 2.92Å; R672-D745 VanDerWaalsContact NH1-OD1 3.13Å; V675-D745 WeakPolarHBondContact CG1-O 3.46Å; L676-D745 HydrophobicContact CD1-CB 4.46Å; S679-D745 WeakPolarHBondContact CB-O 3.33Å; S679-D745 PolarHBondContact OG-O 3.41Å
746	D	84.9	Confident	90.8	Very high	28 Å²	28	18.4 Å²	18.4	15%	0.15	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	3.4	178.3	65.3	9.4	0	0	0	114.8	R672 V675 D744 H748 C859	R672-D746 IonicContact CZ-OD2 2.76Å; R672-D746 IonicContact NH1-OD2 3.06Å; R672-D746 PolarHBondContact NH1-OD2 3.24Å; V675-D746 HydrophobicContact CG1-CB 4.1Å; D744-D746 PolarHBondContact O-N 3.39Å; D744-D746 VanDerWaalsContact O-N 3.07Å; D746-H748 PolarHBondContact O-ND1 2.96Å; D746-C859 HydrophobicContact CB-CB 3.85Å
747	A	87.1	Confident	90.7	Very high	7 Å²	7	14.7 Å²	14.7	6%	0.058	7%	0.071	C	C	.	.			trans	-83	122.4	-178.5	0	0	0	0	0	111.9	I743 D744 F857	I743-A747 HydrophobicContact CD1-CB 4.24Å; I743-A747 HydrophobicContact CG1-CB 3.69Å; D744-A747 HydrophobicContact CB-CB 4.23Å; D744-A747 PolarHBondContact O-N 3Å; D744-A747 VanDerWaalsContact O-N 3.1Å; A747-F857 HydrophobicContact CB-CD2 4.19Å; A747-F857 HydrophobicContact CB-CG 4.17Å
748	H	85.3	Confident	90.5	Very high	48 Å²	48	14.8 Å²	14.8	22%	0.222	7%	0.072	C	C	.	.			trans	-99.9	103	-177.6	-61.3	116.3	0	0	0	111.9	R682 D746 F857	R682-H748 PolarHBondContact NH1-CD2 3.43Å; R682-H748 PolarHBondContact NH2-CD2 2.74Å; R682-H748 PolarHBondContact NH2-NE2 3.12Å; D746-H748 PolarHBondContact O-ND1 2.96Å; H748-F857 WeakPolarHBondContact O-CE1 3.38Å
749	L	87.1	Confident	90.2	Very high	18 Å²	18	15.2 Å²	15.2	9%	0.094	7%	0.072	C	C	.	.			trans	-116.7	140.2	173.9	-74.7	173.9	0	0	0	111.4	I743 E753 I754 F771 A802 F857	I743-L749 HydrophobicContact CD1-CD1 3.95Å; I743-L749 HydrophobicContact CD1-CG 4.47Å; L749-E753 HydrophobicContact CD2-CB 4.24Å; L749-I754 HydrophobicContact CB-CD1 4Å; L749-I754 HydrophobicContact CB-CG1 3.79Å; L749-I754 HydrophobicContact CD1-CG1 4.02Å; L749-F771 HydrophobicContact CD1-CD2 3.87Å; L749-F771 HydrophobicContact CD1-CE2 3.48Å; L749-F771 VanDerWaalsContact CD1-CE2 3.48Å; L749-F771 HydrophobicContact CD1-CZ 4.06Å; L749-F771 HydrophobicContact CD2-CD1 3.99Å; L749-F771 HydrophobicContact CD2-CD2 3.85Å; L749-F771 HydrophobicContact CD2-CE1 3.95Å; L749-F771 HydrophobicContact CD2-CE2 3.84Å; L749-F771 HydrophobicContact CD2-CG 3.95Å; L749-F771 HydrophobicContact CD2-CZ 3.89Å; L749-F771 HydrophobicContact CG-CE2 4.34Å; L749-A802 HydrophobicContact CD1-CB 4.15Å; L749-F857 HydrophobicContact CD2-CE1 3.67Å; L749-F857 HydrophobicContact CD2-CZ 3.59Å; L749-F857 HydrophobicContact CG-CE1 4.02Å; L749-F857 HydrophobicContact CG-CZ 4Å
750	R	87	Confident	90	Very high	61 Å²	61	15.8 Å²	15.8	23%	0.23	8%	0.075	C	C	.	.			trans	-80.5	157.5	169.5	-62.5	-167.5	-45.9	-72.3	-3.4	110.9	D752 E753 I754 F918	R750-D752 VanDerWaalsContact C-N 3.31Å; R750-D752 WeakPolarHBondContact CB-OD1 3.36Å; R750-D752 IonicContact CZ-OD1 2.69Å; R750-D752 IonicContact CZ-OD2 4Å; R750-D752 IonicContact NE-OD1 3.63Å; R750-D752 PolarHBondContact NE-OD1 3.24Å; R750-D752 IonicContact NE-OD2 2.82Å; R750-D752 IonicContact NH2-OD1 3.53Å; R750-D752 PolarHBondContact NH2-OD1 3.11Å; R750-D752 IonicContact NH2-OD2 3.57Å; R750-D752 PolarHBondContact NH2-OD2 2.91Å; R750-D752 PolarHBondContact O-N 3.3Å; R750-E753 HydrophobicContact CB-CG 4.4Å; R750-E753 IonicContact CZ-OE1 3.83Å; R750-E753 IonicContact CZ-OE2 3.66Å; R750-E753 PolarHBondContact N-OE2 3.39Å; R750-E753 IonicContact NH1-OE1 2.7Å; R750-E753 PolarHBondContact NH1-OE1 2.78Å; R750-E753 IonicContact NH1-OE2 3.93Å; R750-E753 PolarHBondContact NH1-OE2 2.94Å; R750-E753 IonicContact NH2-OE1 3.21Å; R750-E753 WeakPolarHBondContact O-CB 3.47Å; R750-E753 PolarHBondContact O-N 2.88Å; R750-I754 WeakPolarHBondContact O-CG1 3.28Å; R750-I754 PolarHBondContact O-N 3.23Å; R750-F918 PolarHBondContact NH2-O 3.5Å
751	H	86.1	Confident	89.8	Confident	18 Å²	18	15.8 Å²	15.8	8%	0.083	8%	0.075	C	C	.	.	H	α-helix	trans	-59.4	-39.6	178.9	-69.2	179.8	0	0	0	112.8	L575 R682 N684 L686 E753 I754 M755	L575-H751 HydrophobicContact CD1-CB 3.51Å; R682-H751 PolarHBondContact O-NE2 3.03Å; N684-H751 PolarHBondContact O-CE1 3.43Å; L686-H751 HydrophobicContact CD1-CB 3.91Å; H751-E753 VanDerWaalsContact C-N 3.35Å; H751-E753 PolarHBondContact O-N 3.3Å; H751-I754 PolarHBondContact O-N 3.04Å; H751-M755 WeakPolarHBondContact O-CB 3.46Å; H751-M755 VanDerWaalsContact O-CG 3.28Å; H751-M755 WeakPolarHBondContact O-CG 3.35Å; H751-M755 PolarHBondContact O-N 3.5Å
752	D	82.3	Confident	89.4	Confident	7 Å²	7	16.7 Å²	16.7	4%	0.037	8%	0.079	C	C	.	.	H	α-helix	trans	-63.9	-39.3	178.1	63.7	-33.6	0	0	0	112.1	L575 R750 F756 F916	L575-D752 HydrophobicContact CD1-CB 4.1Å; L575-D752 HydrophobicContact CD2-CB 4.27Å; R750-D752 VanDerWaalsContact C-N 3.31Å; R750-D752 WeakPolarHBondContact CB-OD1 3.36Å; R750-D752 IonicContact CZ-OD1 2.69Å; R750-D752 IonicContact CZ-OD2 4Å; R750-D752 IonicContact NE-OD1 3.63Å; R750-D752 PolarHBondContact NE-OD1 3.24Å; R750-D752 IonicContact NE-OD2 2.82Å; R750-D752 IonicContact NH2-OD1 3.53Å; R750-D752 PolarHBondContact NH2-OD1 3.11Å; R750-D752 IonicContact NH2-OD2 3.57Å; R750-D752 PolarHBondContact NH2-OD2 2.91Å; R750-D752 PolarHBondContact O-N 3.3Å; D752-F756 VanDerWaalsContact O-CB 3.31Å; D752-F756 WeakPolarHBondContact O-CB 3.3Å; D752-F756 PolarHBondContact O-N 3.14Å; D752-F916 HydrophobicContact CB-CD1 4.2Å
753	E	87.6	Confident	89	Confident	6 Å²	6	25 Å²	25	3%	0.028	12%	0.117	C	C	.	.	H	α-helix	trans	-62.8	-46.2	173.5	-68.8	173.2	141.5	0	0	111.3	L749 R750 H751 F756 G757 F771 R854	L749-E753 HydrophobicContact CD2-CB 4.24Å; R750-E753 HydrophobicContact CB-CG 4.4Å; R750-E753 IonicContact CZ-OE1 3.83Å; R750-E753 IonicContact CZ-OE2 3.66Å; R750-E753 PolarHBondContact N-OE2 3.39Å; R750-E753 IonicContact NH1-OE1 2.7Å; R750-E753 PolarHBondContact NH1-OE1 2.78Å; R750-E753 IonicContact NH1-OE2 3.93Å; R750-E753 PolarHBondContact NH1-OE2 2.94Å; R750-E753 IonicContact NH2-OE1 3.21Å; R750-E753 WeakPolarHBondContact O-CB 3.47Å; R750-E753 PolarHBondContact O-N 2.88Å; H751-E753 VanDerWaalsContact C-N 3.35Å; H751-E753 PolarHBondContact O-N 3.3Å; E753-F756 PolarHBondContact O-N 2.83Å; E753-G757 PolarHBondContact O-N 2.87Å; E753-F771 HydrophobicContact CB-CE1 3.92Å; E753-F771 HydrophobicContact CB-CZ 4.33Å; E753-F771 WeakPolarHBondContact O-CZ 3.47Å; E753-R854 IonicContact OE1-CZ 2.76Å; E753-R854 IonicContact OE1-NE 3.9Å; E753-R854 PolarHBondContact OE1-NE 3.23Å; E753-R854 IonicContact OE1-NH2 2.83Å; E753-R854 PolarHBondContact OE1-NH2 2.98Å; E753-R854 IonicContact OE2-NH2 3.26Å
754	I	91.1	Very high	88.9	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-62.2	-48.8	178.1	-65.2	169.5	0	0	0	110.7	F663 L683 L686 L741 L749 R750 H751 F756 G757 F758 F804	F663-I754 HydrophobicContact CE2-CG2 4.22Å; F663-I754 HydrophobicContact CZ-CG2 3.81Å; L683-I754 HydrophobicContact CD2-CD1 4.3Å; L686-I754 HydrophobicContact CD1-CB 4.36Å; L686-I754 HydrophobicContact CD1-CD1 4.36Å; L686-I754 HydrophobicContact CD1-CG2 4.26Å; L686-I754 HydrophobicContact CD2-CD1 4.13Å; L686-I754 HydrophobicContact CD2-CG2 4.16Å; L741-I754 HydrophobicContact CD2-CD1 4.42Å; L741-I754 HydrophobicContact CD2-CG1 4.29Å; L741-I754 HydrophobicContact CD2-CG2 3.69Å; L749-I754 HydrophobicContact CB-CD1 4Å; L749-I754 HydrophobicContact CB-CG1 3.79Å; L749-I754 HydrophobicContact CD1-CG1 4.02Å; R750-I754 WeakPolarHBondContact O-CG1 3.28Å; R750-I754 PolarHBondContact O-N 3.23Å; H751-I754 PolarHBondContact O-N 3.04Å; I754-F756 VanDerWaalsContact C-N 3.3Å; I754-F756 PolarHBondContact O-N 3.36Å; I754-G757 PolarHBondContact O-N 3.43Å; I754-F758 PolarHBondContact O-N 2.88Å; I754-F804 HydrophobicContact CG2-CE2 4.28Å; I754-F804 HydrophobicContact CG2-CZ 3.89Å; I754-F804 WeakPolarHBondContact O-CE2 3.22Å
755	M	87.6	Confident	89	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.3	-37.1	-179.5	-71.9	-46.9	-53.6	0	0	112.4	L654 F663 L686 P687 Y688 H751 F758 R759 F916	L654-M755 HydrophobicContact CD1-CE 4.34Å; L654-M755 HydrophobicContact CD2-CB 4.4Å; L654-M755 HydrophobicContact CD2-CE 4.06Å; L654-M755 HydrophobicContact CD2-CG 4.35Å; F663-M755 HydrophobicContact CE1-SD 4.34Å; L686-M755 HydrophobicContact CD1-SD 4.43Å; P687-M755 HydrophobicContact CB-CE 4.48Å; P687-M755 HydrophobicContact CB-SD 4.06Å; Y688-M755 HydrophobicContact CD2-CE 3.27Å; Y688-M755 HydrophobicContact CD2-SD 4.21Å; Y688-M755 HydrophobicContact CE2-CE 3.98Å; Y688-M755 HydrophobicContact CG-CE 3.97Å; H751-M755 WeakPolarHBondContact O-CB 3.46Å; H751-M755 VanDerWaalsContact O-CG 3.28Å; H751-M755 WeakPolarHBondContact O-CG 3.35Å; H751-M755 PolarHBondContact O-N 3.5Å; M755-F758 HydrophobicContact CE-CD1 4.13Å; M755-R759 WeakPolarHBondContact O-CG 3.36Å; M755-R759 PolarHBondContact O-N 3.02Å; M755-F916 HydrophobicContact CB-CE1 4.41Å
756	F	88.3	Confident	89.3	Confident	12 Å²	12	25.2 Å²	25.2	5%	0.053	12%	0.115	C	C	.	.	H	α-helix	trans	-65.4	-46.7	172.7	177.1	-109.9	0	0	0	112	D752 E753 I754 F758 R759 V760 V851 T852 V899 D900 F916 I919	D752-F756 VanDerWaalsContact O-CB 3.31Å; D752-F756 WeakPolarHBondContact O-CB 3.3Å; D752-F756 PolarHBondContact O-N 3.14Å; E753-F756 PolarHBondContact O-N 2.83Å; I754-F756 VanDerWaalsContact C-N 3.3Å; I754-F756 PolarHBondContact O-N 3.36Å; F756-F758 VanDerWaalsContact C-N 3.32Å; F756-F758 PolarHBondContact O-N 2.93Å; F756-R759 PolarHBondContact O-N 3.49Å; F756-V760 HydrophobicContact CD2-CG2 4.34Å; F756-V760 HydrophobicContact CE1-CG2 4.12Å; F756-V760 HydrophobicContact CE2-CG2 3.92Å; F756-V760 HydrophobicContact CZ-CG2 3.8Å; F756-V760 WeakPolarHBondContact O-CG2 3.39Å; F756-V760 PolarHBondContact O-N 3.45Å; F756-V851 HydrophobicContact CD1-CB 4.15Å; F756-V851 HydrophobicContact CD1-CG1 4.37Å; F756-V851 HydrophobicContact CE1-CB 3.84Å; F756-V851 HydrophobicContact CE1-CG1 3.92Å; F756-T852 HydrophobicContact CD1-CG2 3.95Å; F756-T852 HydrophobicContact CE1-CG2 4.17Å; F756-V899 WeakPolarHBondContact CE1-O 3.32Å; F756-V899 HydrophobicContact CZ-CG1 3.99Å; F756-D900 VanDerWaalsContact CZ-C 3.43Å; F756-F916 HydrophobicContact CB-CE1 4.09Å; F756-F916 HydrophobicContact CB-CE2 4.15Å; F756-F916 HydrophobicContact CB-CZ 3.84Å; F756-F916 HydrophobicContact CD2-CD2 4.07Å; F756-F916 AromaticContact CD2-CE2 3.67Å; F756-F916 HydrophobicContact CD2-CE2 3.67Å; F756-F916 HydrophobicContact CD2-CZ 4.19Å; F756-F916 HydrophobicContact CG-CE2 4.38Å; F756-I919 HydrophobicContact CB-CD1 3.42Å; F756-I919 VanDerWaalsContact CB-CD1 3.42Å; F756-I919 HydrophobicContact CD1-CD1 4.17Å; F756-I919 HydrophobicContact CD1-CG2 4Å; F756-I919 HydrophobicContact CD2-CD1 4.14Å; F756-I919 HydrophobicContact CE1-CG2 4.14Å; F756-I919 HydrophobicContact CG-CD1 3.65Å; F756-I919 HydrophobicContact CG-CG2 4.43Å
757	G	92.4	Very high	89.9	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-56.1	-45.3	174.9	0	0	0	0	0	112.4	E753 I754 R759 V760 W761	E753-G757 PolarHBondContact O-N 2.87Å; I754-G757 PolarHBondContact O-N 3.43Å; G757-R759 PolarHBondContact O-N 3.04Å; G757-V760 PolarHBondContact O-N 2.98Å; G757-W761 WeakPolarHBondContact O-CB 3.39Å; G757-W761 PolarHBondContact O-N 3.16Å
758	F	91.8	Very high	90.5	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.009	12%	0.117	C	C	.	.	H	α-helix	trans	-60.7	-45.1	176.3	-177.9	-129.4	0	0	0	111.7	E661 F663 Y688 A739 I754 M755 F756 V760 W761 R762 F804	E661-F758 HydrophobicContact CB-CZ 4.43Å; F663-F758 HydrophobicContact CB-CD2 4.2Å; F663-F758 HydrophobicContact CB-CE2 3.94Å; F663-F758 HydrophobicContact CB-CZ 4.49Å; F663-F758 HydrophobicContact CD1-CB 4.39Å; F663-F758 AromaticContact CD1-CD1 3.84Å; F663-F758 HydrophobicContact CD1-CD1 3.84Å; F663-F758 AromaticContact CD1-CD2 3.72Å; F663-F758 HydrophobicContact CD1-CD2 3.72Å; F663-F758 AromaticContact CD1-CE1 3.96Å; F663-F758 HydrophobicContact CD1-CE1 3.96Å; F663-F758 AromaticContact CD1-CE2 3.85Å; F663-F758 HydrophobicContact CD1-CE2 3.85Å; F663-F758 AromaticContact CD1-CG 3.72Å; F663-F758 HydrophobicContact CD1-CG 3.72Å; F663-F758 AromaticContact CD1-CZ 3.97Å; F663-F758 HydrophobicContact CD1-CZ 3.97Å; F663-F758 HydrophobicContact CE1-CB 4.38Å; F663-F758 HydrophobicContact CE1-CD1 4.08Å; F663-F758 HydrophobicContact CE1-CD2 4.5Å; F663-F758 HydrophobicContact CE1-CE1 4.49Å; F663-F758 HydrophobicContact CE1-CG 4.08Å; F663-F758 HydrophobicContact CG-CD2 4.26Å; F663-F758 HydrophobicContact CG-CE2 4.34Å; Y688-F758 HydrophobicContact CD1-CE1 4.03Å; Y688-F758 HydrophobicContact CG-CD1 4.48Å; Y688-F758 HydrophobicContact CG-CE1 4.01Å; A739-F758 HydrophobicContact CB-CD2 4.27Å; A739-F758 HydrophobicContact CB-CE2 3.71Å; I754-F758 PolarHBondContact O-N 2.88Å; M755-F758 HydrophobicContact CE-CD1 4.13Å; F756-F758 VanDerWaalsContact C-N 3.32Å; F756-F758 PolarHBondContact O-N 2.93Å; F758-V760 PolarHBondContact O-N 2.89Å; F758-W761 HydrophobicContact CD2-CE3 4.2Å; F758-W761 HydrophobicContact CE2-CE3 4.06Å; F758-W761 HydrophobicContact CE2-CZ3 4.24Å; F758-W761 WeakPolarHBondContact O-CB 3.22Å; F758-W761 PolarHBondContact O-N 3.33Å; F758-R762 HydrophobicContact CD2-CG 4.31Å; F758-R762 HydrophobicContact CE2-CG 4.02Å; F758-R762 HydrophobicContact CZ-CG 4.16Å; F758-R762 VanDerWaalsContact O-CG 3.29Å; F758-R762 WeakPolarHBondContact O-CG 3.35Å; F758-R762 PolarHBondContact O-N 3.37Å; F758-F804 HydrophobicContact CB-CE1 3.95Å; F758-F804 HydrophobicContact CB-CE2 4.05Å; F758-F804 HydrophobicContact CB-CZ 3.61Å; F758-F804 HydrophobicContact CD2-CD1 4.17Å; F758-F804 AromaticContact CD2-CE1 3.79Å; F758-F804 HydrophobicContact CD2-CE1 3.79Å; F758-F804 HydrophobicContact CD2-CZ 4.35Å; F758-F804 HydrophobicContact CG-CE1 4.23Å; F758-F804 HydrophobicContact CG-CZ 4.36Å; F758-F804 VanDerWaalsContact N-CE2 3.34Å
759	R	87.6	Confident	91.1	Very high	37 Å²	37	24.2 Å²	24.2	14%	0.14	11%	0.106	C	C	.	.	H	α-helix	trans	-59.2	-47.3	176.7	-78.1	179.4	172	-174.8	-14.9	112.4	F650 A653 L654 M755 F756 G757 W761 R762 E763	F650-R759 PolarHBondContact O-NH2 3Å; A653-R759 PolarHBondContact O-NH2 3Å; L654-R759 VanDerWaalsContact C-NH2 3.34Å; L654-R759 PolarHBondContact O-NE 2.78Å; L654-R759 PolarHBondContact O-NH2 3.44Å; M755-R759 WeakPolarHBondContact O-CG 3.36Å; M755-R759 PolarHBondContact O-N 3.02Å; F756-R759 PolarHBondContact O-N 3.49Å; G757-R759 PolarHBondContact O-N 3.04Å; R759-W761 VanDerWaalsContact C-N 3.29Å; R759-W761 PolarHBondContact O-N 3.16Å; R759-R762 PolarHBondContact O-N 2.98Å; R759-E763 PolarHBondContact O-N 2.85Å
760	V	92	Very high	91.5	Very high	13 Å²	13	23.3 Å²	23.3	8%	0.079	10%	0.101	C	C	.	.	H	α-helix	trans	-62.6	-39.5	177.9	176.7	0	0	0	0	110.7	F756 G757 F758 R762 E763 A764 V769 I849 V851 V899	F756-V760 HydrophobicContact CD2-CG2 4.34Å; F756-V760 HydrophobicContact CE1-CG2 4.12Å; F756-V760 HydrophobicContact CE2-CG2 3.92Å; F756-V760 HydrophobicContact CZ-CG2 3.8Å; F756-V760 WeakPolarHBondContact O-CG2 3.39Å; F756-V760 PolarHBondContact O-N 3.45Å; G757-V760 PolarHBondContact O-N 2.98Å; F758-V760 PolarHBondContact O-N 2.89Å; V760-R762 VanDerWaalsContact C-N 3.35Å; V760-R762 PolarHBondContact O-N 3.11Å; V760-E763 PolarHBondContact O-N 3.33Å; V760-A764 PolarHBondContact O-N 3.01Å; V760-V769 HydrophobicContact CB-CG1 3.93Å; V760-V769 HydrophobicContact CG1-CG1 3.66Å; V760-V769 HydrophobicContact CG1-CG2 4.5Å; V760-I849 HydrophobicContact CG1-CD1 4.46Å; V760-I849 HydrophobicContact CG1-CG2 4.06Å; V760-V851 HydrophobicContact CB-CG1 4.07Å; V760-V851 HydrophobicContact CG1-CG1 3.98Å; V760-V851 HydrophobicContact CG2-CG1 4.01Å; V760-V899 HydrophobicContact CG1-CB 4.36Å; V760-V899 HydrophobicContact CG1-CG1 4.37Å; V760-V899 HydrophobicContact CG1-CG2 4.28Å; V760-V899 HydrophobicContact CG2-CB 4.42Å; V760-V899 HydrophobicContact CG2-CG1 3.87Å
761	W	94.8	Very high	91.8	Very high	3 Å²	3	20.4 Å²	20.4	1%	0.011	9%	0.09	C	C	.	.	H	α-helix	trans	-61.8	-39.3	175.7	177.6	84.6	0	0	0	112.9	E738 A739 G757 F758 R759 E763 A764 R765 V769 F804 H806	E738-W761 HydrophobicContact CB-CH2 4.11Å; A739-W761 HydrophobicContact CB-CD2 4.28Å; A739-W761 HydrophobicContact CB-CE3 3.82Å; A739-W761 HydrophobicContact CB-CH2 3.56Å; A739-W761 HydrophobicContact CB-CZ2 3.99Å; A739-W761 HydrophobicContact CB-CZ3 3.49Å; A739-W761 VanDerWaalsContact CB-CZ3 3.49Å; G757-W761 WeakPolarHBondContact O-CB 3.39Å; G757-W761 PolarHBondContact O-N 3.16Å; F758-W761 HydrophobicContact CD2-CE3 4.2Å; F758-W761 HydrophobicContact CE2-CE3 4.06Å; F758-W761 HydrophobicContact CE2-CZ3 4.24Å; F758-W761 WeakPolarHBondContact O-CB 3.22Å; F758-W761 PolarHBondContact O-N 3.33Å; R759-W761 VanDerWaalsContact C-N 3.29Å; R759-W761 PolarHBondContact O-N 3.16Å; W761-E763 PolarHBondContact O-N 2.91Å; W761-A764 CarbonylContact O-C 3.58Å; W761-A764 WeakPolarHBondContact O-CA 3.13Å; W761-A764 PolarHBondContact O-N 3.38Å; W761-R765 HydrophobicContact CH2-CG 4.3Å; W761-R765 HydrophobicContact CZ2-CB 4.43Å; W761-R765 HydrophobicContact CZ2-CG 4.48Å; W761-R765 HydrophobicContact CZ3-CG 4.44Å; W761-R765 WeakPolarHBondContact O-CA 3.45Å; W761-R765 PolarHBondContact O-N 3.08Å; W761-V769 HydrophobicContact CB-CB 4.06Å; W761-V769 HydrophobicContact CB-CG2 4.06Å; W761-F804 HydrophobicContact CB-CB 3.78Å; W761-F804 HydrophobicContact CB-CG 4.29Å; W761-F804 HydrophobicContact CG-CB 3.67Å; W761-F804 HydrophobicContact CG-CG 4.45Å; W761-H806 HydrophobicContact CZ2-CB 3.89Å; W761-H806 AromaticContact CZ2-CD2 3.65Å
762	R	89.8	Confident	92.2	Very high	19 Å²	19	19.9 Å²	19.9	7%	0.072	9%	0.089	C	C	.	.	H	α-helix	trans	-63.3	-26.3	179.5	-67.3	173.7	79.6	-164.4	-0.2	113.5	G655 V658 P659 E661 F758 R759 V760 R765	G655-R762 PolarHBondContact O-NH1 2.49Å; V658-R762 VanDerWaalsContact CB-NH2 3.34Å; P659-R762 PolarHBondContact O-NH2 2.76Å; E661-R762 IonicContact OE2-CZ 2.84Å; E661-R762 VanDerWaalsContact OE2-CZ 3.24Å; E661-R762 IonicContact OE2-NE 3.76Å; E661-R762 PolarHBondContact OE2-NE 3.47Å; E661-R762 IonicContact OE2-NH2 3.52Å; E661-R762 PolarHBondContact OE2-NH2 3.4Å; F758-R762 HydrophobicContact CD2-CG 4.31Å; F758-R762 HydrophobicContact CE2-CG 4.02Å; F758-R762 HydrophobicContact CZ-CG 4.16Å; F758-R762 VanDerWaalsContact O-CG 3.29Å; F758-R762 WeakPolarHBondContact O-CG 3.35Å; F758-R762 PolarHBondContact O-N 3.37Å; R759-R762 PolarHBondContact O-N 2.98Å; V760-R762 VanDerWaalsContact C-N 3.35Å; V760-R762 PolarHBondContact O-N 3.11Å; R762-R765 PolarHBondContact O-NE 2.84Å
763	E	88.9	Confident	92.7	Very high	175 Å²	175	19.6 Å²	19.6	82%	0.818	9%	0.087	S	C	*	.	H	α-helix	trans	-85	-16.2	173.2	-64.3	-179.3	-164.2	0	0	112.9	R759 V760 W761	R759-E763 PolarHBondContact O-N 2.85Å; V760-E763 PolarHBondContact O-N 3.33Å; W761-E763 PolarHBondContact O-N 2.91Å
764	A	93.5	Very high	93	Very high	3 Å²	3	20.2 Å²	20.2	3%	0.025	9%	0.089	C	C	.	.			trans	-137.3	51.1	-175.3	0	0	0	0	0	112.2	V760 W761 D766 R767 V769 I849	V760-A764 PolarHBondContact O-N 3.01Å; W761-A764 CarbonylContact O-C 3.58Å; W761-A764 WeakPolarHBondContact O-CA 3.13Å; W761-A764 PolarHBondContact O-N 3.38Å; A764-D766 PolarHBondContact O-N 3.34Å; A764-D766 VanDerWaalsContact O-N 3.07Å; A764-R767 PolarHBondContact O-N 3.33Å; A764-V769 HydrophobicContact CB-CG2 4.41Å; A764-I849 HydrophobicContact CB-CD1 3.36Å
765	R	94.3	Very high	93.2	Very high	48 Å²	48	21.5 Å²	21.5	18%	0.181	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.4	-173.7	-61.2	-178.2	-174	-126.1	-4.9	113.9	P618 E661 E738 W761 R762 R767 H806	P618-R765 HydrophobicContact CB-CB 4.14Å; P618-R765 WeakPolarHBondContact CB-O 3.48Å; E661-R765 IonicContact OE1-CZ 3.64Å; E661-R765 IonicContact OE1-NH1 3.56Å; E661-R765 PolarHBondContact OE1-NH1 3.17Å; E661-R765 IonicContact OE1-NH2 2.79Å; E661-R765 PolarHBondContact OE1-NH2 3.29Å; E661-R765 IonicContact OE2-CZ 2.73Å; E661-R765 IonicContact OE2-NH1 3.96Å; E661-R765 IonicContact OE2-NH2 3.66Å; E661-R765 PolarHBondContact OE2-NH2 2.86Å; E738-R765 IonicContact OE2-NH1 3.24Å; E738-R765 PolarHBondContact OE2-NH1 3.41Å; W761-R765 HydrophobicContact CH2-CG 4.3Å; W761-R765 HydrophobicContact CZ2-CB 4.43Å; W761-R765 HydrophobicContact CZ2-CG 4.48Å; W761-R765 HydrophobicContact CZ3-CG 4.44Å; W761-R765 WeakPolarHBondContact O-CA 3.45Å; W761-R765 PolarHBondContact O-N 3.08Å; R762-R765 PolarHBondContact O-NE 2.84Å; R765-R767 VanDerWaalsContact C-N 3.26Å; R765-R767 PolarHBondContact O-N 2.92Å; R765-H806 WeakPolarHBondContact O-CB 3.43Å
766	D	96.7	Very high	93.7	Very high	22 Å²	22	21.7 Å²	21.7	12%	0.118	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-10.1	179.4	66	-28.8	0	0	0	113.1	P618 F619 A764 Y809 T844 K846	P618-D766 HydrophobicContact CB-CB 4.34Å; F619-D766 HydrophobicContact CD1-CB 4.48Å; F619-D766 HydrophobicContact CE1-CB 4.05Å; A764-D766 PolarHBondContact O-N 3.34Å; A764-D766 VanDerWaalsContact O-N 3.07Å; D766-Y809 WeakPolarHBondContact O-CE2 3.38Å; D766-Y809 PolarHBondContact O-OH 2.87Å; D766-T844 HydrophobicContact CB-CG2 4.32Å; D766-T844 WeakPolarHBondContact O-CG2 3.27Å; D766-K846 WeakPolarHBondContact OD2-CD 3.48Å; D766-K846 IonicContact OD2-NZ 3.61Å; D766-K846 PolarHBondContact OD2-NZ 3.47Å
767	R	97.2	Very high	94	Very high	60 Å²	60	22.2 Å²	22.2	23%	0.226	10%	0.101	C	C	.	.	S	Bend	trans	-119.4	159.1	-174.8	-69.6	180	-77.5	174.6	0.5	113	A764 R765 K846 P847 I849	A764-R767 PolarHBondContact O-N 3.33Å; R765-R767 VanDerWaalsContact C-N 3.26Å; R765-R767 PolarHBondContact O-N 2.92Å; R767-K846 HydrophobicContact CG-CB 4.2Å; R767-K846 HydrophobicContact CG-CD 4.44Å; R767-P847 VanDerWaalsContact CD-O 3.22Å; R767-P847 WeakPolarHBondContact CD-O 3.35Å; R767-I849 HydrophobicContact CB-CG1 4.47Å
768	I	98.4	Very high	94.1	Very high	2 Å²	2	28 Å²	28	1%	0.01	12%	0.123	C	C	.	.			trans	-73.9	127.4	165.8	-57.5	171.1	0	0	0	107.7	V798 A803 F805 M836 N837 V840 P848 I849	I768-V798 HydrophobicContact CG2-CB 4.18Å; I768-V798 HydrophobicContact CG2-CG1 4.19Å; I768-A803 HydrophobicContact CG2-CB 3.76Å; I768-F805 HydrophobicContact CG1-CB 4.35Å; I768-M836 HydrophobicContact CD1-CG 3.96Å; I768-N837 HydrophobicContact CD1-CB 4.42Å; I768-V840 HydrophobicContact CD1-CB 4.02Å; I768-V840 HydrophobicContact CD1-CG2 3.84Å; I768-V840 HydrophobicContact CG1-CB 4.09Å; I768-V840 HydrophobicContact CG1-CG1 4.14Å; I768-V840 HydrophobicContact CG1-CG2 3.84Å; I768-P848 HydrophobicContact CB-CB 4.27Å; I768-I849 PolarHBondContact O-N 3.44Å
769	V	98.1	Very high	94.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	118.5	178	-178.7	0	0	0	0	108.9	V760 W761 A764 A803 F804 I849 V851	V760-V769 HydrophobicContact CB-CG1 3.93Å; V760-V769 HydrophobicContact CG1-CG1 3.66Å; V760-V769 HydrophobicContact CG1-CG2 4.5Å; W761-V769 HydrophobicContact CB-CB 4.06Å; W761-V769 HydrophobicContact CB-CG2 4.06Å; A764-V769 HydrophobicContact CB-CG2 4.41Å; V769-A803 CarbonylContact O-C 3.44Å; V769-A803 WeakPolarHBondContact O-CA 3.18Å; V769-F804 PolarHBondContact N-O 3.11Å; V769-F804 PolarHBondContact O-N 3.3Å; V769-I849 WeakPolarHBondContact CA-O 3.47Å; V769-I849 HydrophobicContact CG1-CB 4.48Å; V769-I849 HydrophobicContact CG2-CB 4.1Å; V769-I849 HydrophobicContact CG2-CD1 4.12Å; V769-I849 HydrophobicContact CG2-CG1 4.41Å; V769-V851 HydrophobicContact CG1-CG1 3.77Å
770	G	95.9	Very high	94.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	-172.4	-175.2	0	0	0	0	0	114.2	V798 A802 I849 K850 V851	G770-V798 VanDerWaalsContact CA-CG1 3.43Å; G770-A802 WeakPolarHBondContact CA-O 3.45Å; G770-I849 PolarHBondContact N-O 3.39Å; G770-I849 VanDerWaalsContact N-O 3.09Å; G770-K850 WeakPolarHBondContact O-CA 3.28Å; G770-V851 VanDerWaalsContact O-CG2 3.28Å; G770-V851 WeakPolarHBondContact O-CG2 3.47Å; G770-V851 PolarHBondContact O-N 3.5Å
771	F	93.7	Very high	94.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-97.1	-59	-163.2	-49.9	-94.6	0	0	0	112.6	L749 E753 G773 A802 K850 V851 T852 R854 F857	L749-F771 HydrophobicContact CD1-CD2 3.87Å; L749-F771 HydrophobicContact CD1-CE2 3.48Å; L749-F771 VanDerWaalsContact CD1-CE2 3.48Å; L749-F771 HydrophobicContact CD1-CZ 4.06Å; L749-F771 HydrophobicContact CD2-CD1 3.99Å; L749-F771 HydrophobicContact CD2-CD2 3.85Å; L749-F771 HydrophobicContact CD2-CE1 3.95Å; L749-F771 HydrophobicContact CD2-CE2 3.84Å; L749-F771 HydrophobicContact CD2-CG 3.95Å; L749-F771 HydrophobicContact CD2-CZ 3.89Å; L749-F771 HydrophobicContact CG-CE2 4.34Å; E753-F771 HydrophobicContact CB-CE1 3.92Å; E753-F771 HydrophobicContact CB-CZ 4.33Å; E753-F771 WeakPolarHBondContact O-CZ 3.47Å; F771-G773 PolarHBondContact O-N 3.11Å; F771-A802 HydrophobicContact CD2-CB 3.9Å; F771-A802 VanDerWaalsContact CD2-O 3.28Å; F771-A802 WeakPolarHBondContact CD2-O 3.27Å; F771-A802 PolarHBondContact N-O 3.2Å; F771-A802 VanDerWaalsContact N-O 3.15Å; F771-K850 PolarHBondContact O-NZ 2.69Å; F771-V851 HydrophobicContact CD1-CG2 3.58Å; F771-V851 HydrophobicContact CE1-CG2 3.62Å; F771-V851 HydrophobicContact CG-CG2 4.06Å; F771-V851 HydrophobicContact CZ-CG2 4.12Å; F771-T852 HydrophobicContact CD1-CG2 4.03Å; F771-T852 HydrophobicContact CE1-CG2 4Å; F771-R854 CarbonylContact C-O 3.06Å; F771-R854 HydrophobicContact CB-CB 4.02Å; F771-F857 HydrophobicContact CB-CE2 4.34Å; F771-F857 HydrophobicContact CB-CZ 3.98Å; F771-F857 HydrophobicContact CG-CZ 4.39Å
772	P	93.4	Very high	94.4	Very high	7 Å²	7	45.6 Å²	45.6	5%	0.045	22%	0.22	C	C	.	.			trans	-76.1	111.9	-174.5	-14.6	33.8	0	0	0	111	V798 L799 A802 W855 F857	P772-V798 WeakPolarHBondContact O-CA 3.49Å; P772-L799 HydrophobicContact CB-CB 4.19Å; P772-L799 HydrophobicContact CB-CD1 4.31Å; P772-L799 HydrophobicContact CB-CG 4.19Å; P772-L799 HydrophobicContact CG-CB 4.49Å; P772-L799 PolarHBondContact O-N 3.45Å; P772-A802 HydrophobicContact CG-CB 4.43Å; P772-W855 WeakPolarHBondContact CB-O 3.39Å; P772-F857 HydrophobicContact CG-CD2 3.88Å; P772-F857 HydrophobicContact CG-CE2 3.42Å; P772-F857 VanDerWaalsContact CG-CE2 3.42Å; P772-F857 HydrophobicContact CG-CZ 4.47Å
773	G	93.3	Very high	94.5	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	138.5	176.8	0	0	0	0	0	111.8	F771 M797 W855	F771-G773 PolarHBondContact O-N 3.11Å; G773-M797 WeakPolarHBondContact CA-O 3.47Å; G773-W855 VanDerWaalsContact O-CE3 3.27Å; G773-W855 WeakPolarHBondContact O-CZ3 3.35Å
774	R	95	Very high	94.7	Very high	19 Å²	19	44.9 Å²	44.9	7%	0.072	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	167.5	177.4	-64.2	-68.7	-177.9	-84.7	-5.8	110.2	Y787 S789 L795 S796 M797 L799 W855 T856	R774-Y787 HydrophobicContact CB-CE2 3.9Å; R774-Y787 VanDerWaalsContact CD-OH 3.27Å; R774-Y787 WeakPolarHBondContact CD-OH 3.44Å; R774-Y787 HydrophobicContact CG-CE2 4.05Å; R774-Y787 WeakPolarHBondContact CG-OH 3.46Å; R774-Y787 PolarHBondContact NE-OH 3.02Å; R774-S789 VanDerWaalsContact CD-CA 3.42Å; R774-L795 WeakPolarHBondContact O-CA 3.45Å; R774-L795 WeakPolarHBondContact O-CB 3.09Å; R774-S796 PolarHBondContact O-N 3.45Å; R774-M797 HydrophobicContact CB-CB 4.23Å; R774-M797 HydrophobicContact CB-CE 4.43Å; R774-M797 PolarHBondContact N-O 3.35Å; R774-M797 PolarHBondContact O-N 3.49Å; R774-L799 HydrophobicContact CB-CD2 4.19Å; R774-L799 HydrophobicContact CG-CD1 3.96Å; R774-L799 HydrophobicContact CG-CD2 3.62Å; R774-L799 HydrophobicContact CG-CG 3.79Å; R774-W855 PolarHBondContact NH1-O 3.4Å; R774-W855 PolarHBondContact NH2-O 2.9Å; R774-W855 VanDerWaalsContact NH2-O 3.15Å; R774-T856 VanDerWaalsContact NH2-CG2 3.31Å
775	Y	95.5	Very high	94.9	Very high	29 Å²	29	47.2 Å²	47.2	11%	0.114	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	154.4	177.7	64.8	-74.2	0	0	0	112.9	A777 N788 S792 S796 M797 Y894	Y775-A777 HydrophobicContact CD2-CB 4.48Å; Y775-A777 HydrophobicContact CE2-CB 4.32Å; Y775-N788 HydrophobicContact CD1-CB 4.09Å; Y775-N788 HydrophobicContact CD2-CB 4.06Å; Y775-N788 HydrophobicContact CE1-CB 3.71Å; Y775-N788 HydrophobicContact CE2-CB 3.69Å; Y775-N788 HydrophobicContact CG-CB 4.24Å; Y775-N788 PolarHBondContact N-O 3.35Å; Y775-N788 PolarHBondContact O-N 2.96Å; Y775-N788 PolarHBondContact OH-ND2 2.85Å; Y775-N788 VanDerWaalsContact OH-ND2 3.14Å; Y775-N788 PolarHBondContact OH-OD1 2.86Å; Y775-S792 VanDerWaalsContact CE1-CB 3.48Å; Y775-S796 VanDerWaalsContact CA-OG 3.31Å; Y775-S796 WeakPolarHBondContact CA-OG 3.42Å; Y775-M797 VanDerWaalsContact C-CE 3.43Å; Y775-Y894 HydrophobicContact CD2-CE1 4.47Å
776	H	96.3	Very high	94.9	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.019	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	155.6	163.8	65.8	-87	0	0	0	109.5	W785 L786 S796 M797 I880 M890 L892 Y894	H776-W785 AromaticContact CD2-CE3 3.52Å; H776-W785 AromaticContact CD2-CZ3 3.47Å; H776-W785 VanDerWaalsContact CD2-CZ3 3.47Å; H776-W785 WeakPolarHBondContact CD2-CZ3 3.43Å; H776-W785 AromaticContact NE2-CZ3 3.99Å; H776-L786 CarbonylContact C-O 3.43Å; H776-L786 WeakPolarHBondContact CA-O 3.41Å; H776-S796 PolarHBondContact CE1-OG 3.2Å; H776-S796 PolarHBondContact N-OG 3.11Å; H776-S796 VanDerWaalsContact N-OG 3.09Å; H776-S796 WeakPolarHBondContact ND1-CB 3.3Å; H776-S796 PolarHBondContact ND1-OG 2.97Å; H776-M797 HydrophobicContact CB-CE 4.35Å; H776-I880 HydrophobicContact CB-CD1 4.27Å; H776-M890 HydrophobicContact CB-CE 4.44Å; H776-L892 HydrophobicContact CB-CD1 4.35Å; H776-L892 VanDerWaalsContact CE1-CB 3.44Å; H776-L892 WeakPolarHBondContact CE1-CB 3.43Å; H776-L892 WeakPolarHBondContact ND1-CB 3.2Å; H776-Y894 AromaticContact CD2-CZ 3.76Å; H776-Y894 PolarHBondContact CD2-OH 3.42Å; H776-Y894 VanDerWaalsContact CD2-OH 3.28Å; H776-Y894 AromaticContact CE1-CE2 3.95Å; H776-Y894 AromaticContact CE1-CZ 3.8Å; H776-Y894 AromaticContact NE2-CE2 3.52Å; H776-Y894 AromaticContact NE2-CZ 3.46Å; H776-Y894 PolarHBondContact NE2-OH 3.35Å; H776-Y894 WeakPolarHBondContact O-CE1 3.26Å; H776-Y894 VanDerWaalsContact O-CZ 3.26Å; H776-Y894 PolarHBondContact O-OH 3.24Å
777	A	95.1	Very high	94.9	Very high	23 Å²	23	46.8 Å²	46.8	19%	0.19	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	148.4	174.3	0	0	0	0	0	110	Y775 W785 L786	Y775-A777 HydrophobicContact CD2-CB 4.48Å; Y775-A777 HydrophobicContact CE2-CB 4.32Å; A777-W785 CarbonylContact O-C 3.57Å; A777-W785 WeakPolarHBondContact O-CA 3.26Å; A777-L786 PolarHBondContact N-O 2.99Å; A777-L786 PolarHBondContact O-N 3.44Å
778	W	95.1	Very high	94.6	Very high	122 Å²	122	46.3 Å²	46.3	46%	0.462	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	126.7	174.8	-175	-109.4	0	0	0	110.5	Q783 W785	W778-Q783 HydrophobicContact CH2-CB 4.32Å; W778-Q783 WeakPolarHBondContact CH2-O 3.48Å; W778-Q783 VanDerWaalsContact CZ2-C 3.44Å; W778-Q783 HydrophobicContact CZ2-CB 3.89Å; W778-W785 HydrophobicContact CB-CE3 4.05Å; W778-W785 HydrophobicContact CB-CH2 4.21Å; W778-W785 HydrophobicContact CB-CZ3 3.67Å; W778-W785 AromaticContact CE3-CD2 3.42Å; W778-W785 HydrophobicContact CE3-CD2 3.42Å; W778-W785 VanDerWaalsContact CE3-CD2 3.42Å; W778-W785 AromaticContact CE3-CE2 3.4Å; W778-W785 AromaticContact CE3-CE3 3.72Å; W778-W785 HydrophobicContact CE3-CE3 3.72Å; W778-W785 AromaticContact CE3-CG 3.89Å; W778-W785 HydrophobicContact CE3-CG 3.89Å; W778-W785 HydrophobicContact CE3-CH2 4Å; W778-W785 AromaticContact CE3-CZ2 3.72Å; W778-W785 HydrophobicContact CE3-CZ2 3.72Å; W778-W785 AromaticContact CE3-CZ3 4Å; W778-W785 HydrophobicContact CE3-CZ3 4Å; W778-W785 AromaticContact CE3-NE1 3.81Å; W778-W785 HydrophobicContact CG-CZ3 4.45Å; W778-W785 AromaticContact CZ3-CD1 3.7Å; W778-W785 AromaticContact CZ3-CD2 3.87Å; W778-W785 HydrophobicContact CZ3-CD2 3.87Å; W778-W785 AromaticContact CZ3-CE2 3.56Å; W778-W785 AromaticContact CZ3-CG 3.97Å; W778-W785 HydrophobicContact CZ3-CG 3.97Å; W778-W785 HydrophobicContact CZ3-CZ2 4.08Å; W778-W785 AromaticContact CZ3-NE1 3.46Å
779	D	93.4	Very high	94.1	Very high	37 Å²	37	48.2 Å²	48.2	20%	0.198	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	107.2	175	-171.3	35.9	0	0	0	110.7	P781 H782 Q783 S784 L786	D779-P781 VanDerWaalsContact OD1-CD 3.23Å; D779-P781 WeakPolarHBondContact OD1-CD 3.22Å; D779-H782 WeakPolarHBondContact OD2-CB 3.3Å; D779-H782 IonicContact OD2-CE1 2.99Å; D779-H782 IonicContact OD2-CG 2.78Å; D779-H782 IonicContact OD2-ND1 3.36Å; D779-H782 PolarHBondContact OD2-ND1 3.45Å; D779-Q783 VanDerWaalsContact O-CA 3.3Å; D779-Q783 WeakPolarHBondContact O-CA 3.43Å; D779-Q783 PolarHBondContact O-N 3.28Å; D779-S784 WeakPolarHBondContact CB-O 3.5Å; D779-S784 PolarHBondContact N-O 3.46Å; D779-S784 PolarHBondContact O-N 3.22Å; D779-L786 HydrophobicContact CB-CD1 3.63Å; D779-L786 HydrophobicContact CB-CD2 4.37Å; D779-L786 HydrophobicContact CB-CG 3.78Å
780	I	92.9	Very high	93.5	Very high	135 Å²	135	52.8 Å²	52.8	69%	0.692	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-46.6	-173.9	-61.4	169.2	0	0	0	112.4	H782 Q783	I780-H782 PolarHBondContact O-N 3.42Å; I780-Q783 PolarHBondContact O-N 2.92Å
781	P	93.8	Very high	93	Very high	108 Å²	108	59.6 Å²	59.6	70%	0.701	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-40.6	-177.7	-22.8	35.5	0	0	0	113.6	D779	D779-P781 VanDerWaalsContact OD1-CD 3.23Å; D779-P781 WeakPolarHBondContact OD1-CD 3.22Å
782	H	91.1	Very high	92.7	Very high	145 Å²	145	61.1 Å²	61.1	67%	0.671	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-3.9	-178.7	-58.5	94.8	0	0	0	113.4	D779 I780 S784	D779-H782 WeakPolarHBondContact OD2-CB 3.3Å; D779-H782 IonicContact OD2-CE1 2.99Å; D779-H782 IonicContact OD2-CG 2.78Å; D779-H782 IonicContact OD2-ND1 3.36Å; D779-H782 PolarHBondContact OD2-ND1 3.45Å; I780-H782 PolarHBondContact O-N 3.42Å; H782-S784 PolarHBondContact O-N 3.46Å
783	Q	92.4	Very high	92.4	Very high	153 Å²	153	66.4 Å²	66.4	72%	0.715	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	47.6	-175	-61.2	-167.5	-37.1	0	0	112.6	W778 D779 I780	W778-Q783 HydrophobicContact CH2-CB 4.32Å; W778-Q783 WeakPolarHBondContact CH2-O 3.48Å; W778-Q783 VanDerWaalsContact CZ2-C 3.44Å; W778-Q783 HydrophobicContact CZ2-CB 3.89Å; D779-Q783 VanDerWaalsContact O-CA 3.3Å; D779-Q783 WeakPolarHBondContact O-CA 3.43Å; D779-Q783 PolarHBondContact O-N 3.28Å; I780-Q783 PolarHBondContact O-N 2.92Å
784	S	94.6	Very high	92.4	Very high	26 Å²	26	69.5 Å²	69.5	18%	0.182	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	159.7	-175.6	71.2	0	0	0	0	111.8	D779 H782	D779-S784 WeakPolarHBondContact CB-O 3.5Å; D779-S784 PolarHBondContact N-O 3.46Å; D779-S784 PolarHBondContact O-N 3.22Å; H782-S784 PolarHBondContact O-N 3.46Å
785	W	96.1	Very high	92.4	Very high	52 Å²	52	68.9 Å²	68.9	20%	0.197	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	136.8	174.7	-63.9	103.9	0	0	0	111	H776 A777 W778 I880 N881 M890	H776-W785 AromaticContact CD2-CE3 3.52Å; H776-W785 AromaticContact CD2-CZ3 3.47Å; H776-W785 VanDerWaalsContact CD2-CZ3 3.47Å; H776-W785 WeakPolarHBondContact CD2-CZ3 3.43Å; H776-W785 AromaticContact NE2-CZ3 3.99Å; A777-W785 CarbonylContact O-C 3.57Å; A777-W785 WeakPolarHBondContact O-CA 3.26Å; W778-W785 HydrophobicContact CB-CE3 4.05Å; W778-W785 HydrophobicContact CB-CH2 4.21Å; W778-W785 HydrophobicContact CB-CZ3 3.67Å; W778-W785 AromaticContact CE3-CD2 3.42Å; W778-W785 HydrophobicContact CE3-CD2 3.42Å; W778-W785 VanDerWaalsContact CE3-CD2 3.42Å; W778-W785 AromaticContact CE3-CE2 3.4Å; W778-W785 AromaticContact CE3-CE3 3.72Å; W778-W785 HydrophobicContact CE3-CE3 3.72Å; W778-W785 AromaticContact CE3-CG 3.89Å; W778-W785 HydrophobicContact CE3-CG 3.89Å; W778-W785 HydrophobicContact CE3-CH2 4Å; W778-W785 AromaticContact CE3-CZ2 3.72Å; W778-W785 HydrophobicContact CE3-CZ2 3.72Å; W778-W785 AromaticContact CE3-CZ3 4Å; W778-W785 HydrophobicContact CE3-CZ3 4Å; W778-W785 AromaticContact CE3-NE1 3.81Å; W778-W785 HydrophobicContact CG-CZ3 4.45Å; W778-W785 AromaticContact CZ3-CD1 3.7Å; W778-W785 AromaticContact CZ3-CD2 3.87Å; W778-W785 HydrophobicContact CZ3-CD2 3.87Å; W778-W785 AromaticContact CZ3-CE2 3.56Å; W778-W785 AromaticContact CZ3-CG 3.97Å; W778-W785 HydrophobicContact CZ3-CG 3.97Å; W778-W785 HydrophobicContact CZ3-CZ2 4.08Å; W778-W785 AromaticContact CZ3-NE1 3.46Å; W785-I880 HydrophobicContact CB-CG2 3.48Å; W785-I880 VanDerWaalsContact CB-CG2 3.48Å; W785-I880 HydrophobicContact CG-CG2 4.19Å; W785-N881 PolarHBondContact N-OD1 3.09Å; W785-N881 PolarHBondContact O-ND2 3.31Å; W785-M890 HydrophobicContact CB-CE 4.03Å; W785-M890 HydrophobicContact CD2-CE 3.34Å; W785-M890 HydrophobicContact CE3-CE 3.9Å; W785-M890 HydrophobicContact CG-CE 3.4Å; W785-M890 HydrophobicContact CZ2-CB 4.01Å; W785-M890 HydrophobicContact CZ2-CE 4.33Å; W785-M890 HydrophobicContact CZ2-CG 4.3Å
786	L	95.4	Very high	92.5	Very high	49 Å²	49	67.5 Å²	67.5	26%	0.257	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	145	174.6	-56.5	179.8	0	0	0	110.2	H776 A777 D779 H877	H776-L786 CarbonylContact C-O 3.43Å; H776-L786 WeakPolarHBondContact CA-O 3.41Å; A777-L786 PolarHBondContact N-O 2.99Å; A777-L786 PolarHBondContact O-N 3.44Å; D779-L786 HydrophobicContact CB-CD1 3.63Å; D779-L786 HydrophobicContact CB-CD2 4.37Å; D779-L786 HydrophobicContact CB-CG 3.78Å; L786-H877 HydrophobicContact CD2-CB 4.44Å
787	Y	95.4	Very high	92.6	Very high	12 Å²	12	67.3 Å²	67.3	5%	0.047	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	133.5	165.7	171.8	-98.3	0	0	0	109.2	R774 M797 I834 F873 R876 H877 I880	R774-Y787 HydrophobicContact CB-CE2 3.9Å; R774-Y787 VanDerWaalsContact CD-OH 3.27Å; R774-Y787 WeakPolarHBondContact CD-OH 3.44Å; R774-Y787 HydrophobicContact CG-CE2 4.05Å; R774-Y787 WeakPolarHBondContact CG-OH 3.46Å; R774-Y787 PolarHBondContact NE-OH 3.02Å; Y787-M797 HydrophobicContact CD2-CE 3.89Å; Y787-M797 HydrophobicContact CE2-CE 4.19Å; Y787-I834 HydrophobicContact CD2-CD1 3.99Å; Y787-I834 HydrophobicContact CE2-CD1 4.38Å; Y787-F873 AromaticContact CD1-CD1 3.92Å; Y787-F873 HydrophobicContact CD1-CD1 3.92Å; Y787-F873 HydrophobicContact CD1-CE1 4.25Å; Y787-F873 HydrophobicContact CE1-CD1 4.04Å; Y787-F873 AromaticContact CE1-CE1 3.93Å; Y787-F873 HydrophobicContact CE1-CE1 3.93Å; Y787-R876 HydrophobicContact CD1-CB 4.01Å; Y787-R876 HydrophobicContact CG-CB 3.9Å; Y787-R876 PolarHBondContact OH-NH1 3.31Å; Y787-H877 WeakPolarHBondContact CB-ND1 3.2Å; Y787-H877 PolarHBondContact N-CE1 3.35Å; Y787-H877 PolarHBondContact N-ND1 3.02Å; Y787-H877 PolarHBondContact O-CE1 3.42Å; Y787-I880 HydrophobicContact CD2-CD1 4.25Å; Y787-I880 HydrophobicContact CG-CD1 4.45Å
788	N	91.1	Very high	92.7	Very high	50 Å²	50	66.2 Å²	66.2	27%	0.267	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.3	179.5	-158.4	-39.7	0	0	0	111.8	Y775 N790	Y775-N788 HydrophobicContact CD1-CB 4.09Å; Y775-N788 HydrophobicContact CD2-CB 4.06Å; Y775-N788 HydrophobicContact CE1-CB 3.71Å; Y775-N788 HydrophobicContact CE2-CB 3.69Å; Y775-N788 HydrophobicContact CG-CB 4.24Å; Y775-N788 PolarHBondContact N-O 3.35Å; Y775-N788 PolarHBondContact O-N 2.96Å; Y775-N788 PolarHBondContact OH-ND2 2.85Å; Y775-N788 VanDerWaalsContact OH-ND2 3.14Å; Y775-N788 PolarHBondContact OH-OD1 2.86Å; N788-N790 WeakPolarHBondContact OD1-CB 3.21Å; N788-N790 PolarHBondContact OD1-N 2.99Å
789	S	88.4	Confident	92.7	Very high	42 Å²	42	61.4 Å²	61.4	29%	0.294	32%	0.322	S	S	.	.			trans	-107.1	1	179.6	64.4	0	0	0	0	114.8	R774 F873	R774-S789 VanDerWaalsContact CD-CA 3.42Å; S789-F873 VanDerWaalsContact OG-CE1 3.29Å; S789-F873 WeakPolarHBondContact OG-CE1 3.09Å
790	N	85.9	Confident	92.8	Very high	95 Å²	95	59.7 Å²	59.7	51%	0.508	31%	0.312	S	S	.	.	S	Bend	trans	-66.5	158.8	-179.3	-160.8	10.7	0	0	0	111.6	N788 S792	N788-N790 WeakPolarHBondContact OD1-CB 3.21Å; N788-N790 PolarHBondContact OD1-N 2.99Å; N790-S792 PolarHBondContact O-N 3.19Å
791	Y	85.2	Confident	92.9	Very high	144 Å²	144	53.5 Å²	53.5	57%	0.565	28%	0.282	S	S	*	.			trans	-70.1	118.1	173.1	-60.1	-82.3	0	0	0	109.3	W855	Y791-W855 HydrophobicContact CD1-CB 4Å; Y791-W855 AromaticContact CD1-CD1 3.77Å; Y791-W855 AromaticContact CD1-CD2 3.83Å; Y791-W855 HydrophobicContact CD1-CD2 3.83Å; Y791-W855 HydrophobicContact CD1-CE3 4.41Å; Y791-W855 AromaticContact CD1-CG 3.62Å; Y791-W855 HydrophobicContact CD1-CG 3.62Å; Y791-W855 HydrophobicContact CE1-CB 3.44Å; Y791-W855 VanDerWaalsContact CE1-CB 3.44Å; Y791-W855 AromaticContact CE1-CD1 3.74Å; Y791-W855 HydrophobicContact CE1-CD2 4.22Å; Y791-W855 AromaticContact CE1-CG 3.53Å; Y791-W855 HydrophobicContact CE1-CG 3.53Å
792	S	86.6	Confident	93	Very high	31 Å²	31	48.3 Å²	48.3	22%	0.217	25%	0.248	C	C	.	.			trans	-130.7	157	-176	173.2	0	0	0	0	110.9	Y775 N790 E794 W855	Y775-S792 VanDerWaalsContact CE1-CB 3.48Å; N790-S792 PolarHBondContact O-N 3.19Å; S792-E794 VanDerWaalsContact CB-O 3.29Å; S792-E794 WeakPolarHBondContact CB-O 3.46Å; S792-E794 WeakPolarHBondContact OG-CG 3.34Å; S792-E794 PolarHBondContact OG-N 3.3Å; S792-E794 PolarHBondContact OG-O 2.65Å; S792-W855 VanDerWaalsContact O-CH2 3.3Å; S792-W855 WeakPolarHBondContact O-CH2 3.4Å
793	C	88.4	Confident	93.3	Very high	118 Å²	118	41.4 Å²	41.4	80%	0.797	22%	0.217	S	C	*	.	S	Bend	trans	-75.2	-12.3	170.3	-66	0	0	0	0	112.7	Q896	C793-Q896 WeakPolarHBondContact O-CG 3.31Å
794	E	93.1	Very high	93.6	Very high	65 Å²	65	34.1 Å²	34.1	30%	0.304	18%	0.182	S	C	.	.			trans	-125.6	152.7	175.8	66	-175.8	-178.9	0	0	111.4	S792 Y894 T895 Q896	S792-E794 VanDerWaalsContact CB-O 3.29Å; S792-E794 WeakPolarHBondContact CB-O 3.46Å; S792-E794 WeakPolarHBondContact OG-CG 3.34Å; S792-E794 PolarHBondContact OG-N 3.3Å; S792-E794 PolarHBondContact OG-O 2.65Å; E794-Y894 HydrophobicContact CB-CD1 4.49Å; E794-Y894 HydrophobicContact CG-CD1 4.1Å; E794-T895 CarbonylContact C-O 3.58Å; E794-T895 WeakPolarHBondContact CA-O 3.4Å; E794-Q896 HydrophobicContact CB-CG 4.1Å
795	L	95.3	Very high	93.7	Very high	6 Å²	6	33 Å²	33	3%	0.031	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-136.9	158.2	173.5	67.5	106.7	0	0	0	109.4	R774 V798 P848 K850 Y894 T895	R774-L795 WeakPolarHBondContact O-CA 3.45Å; R774-L795 WeakPolarHBondContact O-CB 3.09Å; L795-V798 HydrophobicContact CD1-CG2 4.15Å; L795-P848 HydrophobicContact CD1-CG 3.97Å; L795-K850 HydrophobicContact CD1-CB 4.46Å; L795-K850 HydrophobicContact CD2-CB 3.57Å; L795-K850 HydrophobicContact CD2-CD 3.74Å; L795-K850 HydrophobicContact CD2-CG 4.25Å; L795-Y894 CarbonylContact O-C 3.54Å; L795-Y894 WeakPolarHBondContact O-CA 3.19Å; L795-T895 HydrophobicContact CD1-CG2 3.6Å; L795-T895 HydrophobicContact CD2-CG2 4.3Å; L795-T895 HydrophobicContact CG-CG2 3.62Å; L795-T895 PolarHBondContact N-O 2.93Å; L795-T895 PolarHBondContact O-N 3.48Å
796	S	97.5	Very high	93.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-135.1	-1.6	171.8	48.2	0	0	0	0	113.3	R774 Y775 H776 L893	R774-S796 PolarHBondContact O-N 3.45Å; Y775-S796 VanDerWaalsContact CA-OG 3.31Å; Y775-S796 WeakPolarHBondContact CA-OG 3.42Å; H776-S796 PolarHBondContact CE1-OG 3.2Å; H776-S796 PolarHBondContact N-OG 3.11Å; H776-S796 VanDerWaalsContact N-OG 3.09Å; H776-S796 WeakPolarHBondContact ND1-CB 3.3Å; H776-S796 PolarHBondContact ND1-OG 2.97Å; S796-L893 VanDerWaalsContact CA-O 3.26Å; S796-L893 WeakPolarHBondContact CA-O 3.22Å; S796-L893 WeakPolarHBondContact CB-O 3.43Å
797	M	97.7	Very high	93.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	148.3	177.9	-67.8	172.7	-77.8	0	0	110.4	G773 R774 Y775 H776 Y787 I834 N837 I880 L892	G773-M797 WeakPolarHBondContact CA-O 3.47Å; R774-M797 HydrophobicContact CB-CB 4.23Å; R774-M797 HydrophobicContact CB-CE 4.43Å; R774-M797 PolarHBondContact N-O 3.35Å; R774-M797 PolarHBondContact O-N 3.49Å; Y775-M797 VanDerWaalsContact C-CE 3.43Å; H776-M797 HydrophobicContact CB-CE 4.35Å; Y787-M797 HydrophobicContact CD2-CE 3.89Å; Y787-M797 HydrophobicContact CE2-CE 4.19Å; M797-I834 HydrophobicContact SD-CB 4.41Å; M797-I834 HydrophobicContact SD-CG1 4Å; M797-I834 HydrophobicContact SD-CG2 4.12Å; M797-N837 WeakPolarHBondContact CA-OD1 3.21Å; M797-N837 HydrophobicContact CB-CB 4.35Å; M797-N837 HydrophobicContact CG-CB 3.89Å; M797-I880 HydrophobicContact CE-CD1 4.36Å; M797-L892 HydrophobicContact CE-CD1 4.04Å; M797-L892 HydrophobicContact CG-CD1 3.63Å; M797-L892 HydrophobicContact CG-CD2 3.98Å; M797-L892 HydrophobicContact CG-CG 4.45Å; M797-L892 HydrophobicContact SD-CD1 3.59Å; M797-L892 VanDerWaalsContact SD-CD1 3.59Å
798	V	97	Very high	94	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123.3	165.6	169.3	0	0	0	0	108	I768 G770 P772 L795 T800 A803 N837 P848	I768-V798 HydrophobicContact CG2-CB 4.18Å; I768-V798 HydrophobicContact CG2-CG1 4.19Å; G770-V798 VanDerWaalsContact CA-CG1 3.43Å; P772-V798 WeakPolarHBondContact O-CA 3.49Å; L795-V798 HydrophobicContact CD1-CG2 4.15Å; V798-T800 PolarHBondContact O-N 3.01Å; V798-A803 HydrophobicContact CG1-CB 4.07Å; V798-N837 PolarHBondContact N-OD1 2.91Å; V798-N837 PolarHBondContact O-ND2 3.33Å; V798-N837 PolarHBondContact O-OD1 2.97Å; V798-P848 HydrophobicContact CB-CB 4.06Å; V798-P848 HydrophobicContact CB-CG 4.43Å; V798-P848 HydrophobicContact CG2-CB 3.76Å; V798-P848 HydrophobicContact CG2-CG 3.98Å
799	L	95.9	Very high	94.3	Very high	22 Å²	22	25.8 Å²	25.8	12%	0.115	14%	0.14	C	C	.	.			trans	-69.8	131.6	-174.9	-53.3	-169.9	0	0	0	111	P772 R774 G801 A802 D833	P772-L799 HydrophobicContact CB-CB 4.19Å; P772-L799 HydrophobicContact CB-CD1 4.31Å; P772-L799 HydrophobicContact CB-CG 4.19Å; P772-L799 HydrophobicContact CG-CB 4.49Å; P772-L799 PolarHBondContact O-N 3.45Å; R774-L799 HydrophobicContact CB-CD2 4.19Å; R774-L799 HydrophobicContact CG-CD1 3.96Å; R774-L799 HydrophobicContact CG-CD2 3.62Å; R774-L799 HydrophobicContact CG-CG 3.79Å; L799-G801 PolarHBondContact O-N 2.88Å; L799-A802 PolarHBondContact O-N 3Å; L799-D833 HydrophobicContact CD2-CB 4.47Å; L799-D833 VanDerWaalsContact CD2-OD2 3.24Å; L799-D833 WeakPolarHBondContact CD2-OD2 3.46Å
800	T	96.1	Very high	94.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-3.3	-177.2	48.5	0	0	0	0	113.9	F729 S742 V798 A802 D833 M836	F729-T800 HydrophobicContact CE1-CG2 4.22Å; F729-T800 HydrophobicContact CZ-CG2 4.09Å; F729-T800 WeakPolarHBondContact CZ-OG1 3.26Å; S742-T800 CarbonylContact C-O 3.51Å; S742-T800 WeakPolarHBondContact CB-O 3.41Å; S742-T800 PolarHBondContact OG-O 3.16Å; V798-T800 PolarHBondContact O-N 3.01Å; T800-A802 PolarHBondContact O-N 3.41Å; T800-D833 WeakPolarHBondContact OG1-CA 3.4Å; T800-D833 WeakPolarHBondContact OG1-CB 3.27Å; T800-M836 HydrophobicContact CG2-CB 4.03Å; T800-M836 HydrophobicContact CG2-CG 3.89Å
801	G	93.5	Very high	95.3	Very high	5 Å²	5	19.3 Å²	19.3	5%	0.052	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-7.2	169	0	0	0	0	0	114.4	I743 D744 L799	I743-G801 CarbonylContact C-O 3.47Å; I743-G801 VanDerWaalsContact CA-O 3.24Å; I743-G801 WeakPolarHBondContact CA-O 3.42Å; D744-G801 PolarHBondContact N-O 3.3Å; D744-G801 WeakPolarHBondContact OD1-CA 3.36Å; D744-G801 VanDerWaalsContact OD2-CA 3.27Å; D744-G801 WeakPolarHBondContact OD2-CA 3.43Å; L799-G801 PolarHBondContact O-N 2.88Å
802	A	95.8	Very high	95.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	78	165.2	0	0	0	0	0	108.8	S742 L749 G770 F771 P772 L799 T800 F857	S742-A802 WeakPolarHBondContact O-CA 3.21Å; S742-A802 PolarHBondContact O-N 3.14Å; L749-A802 HydrophobicContact CD1-CB 4.15Å; G770-A802 WeakPolarHBondContact CA-O 3.45Å; F771-A802 HydrophobicContact CD2-CB 3.9Å; F771-A802 VanDerWaalsContact CD2-O 3.28Å; F771-A802 WeakPolarHBondContact CD2-O 3.27Å; F771-A802 PolarHBondContact N-O 3.2Å; F771-A802 VanDerWaalsContact N-O 3.15Å; P772-A802 HydrophobicContact CG-CB 4.43Å; L799-A802 PolarHBondContact O-N 3Å; T800-A802 PolarHBondContact O-N 3.41Å; A802-F857 HydrophobicContact CB-CD2 4.26Å; A802-F857 HydrophobicContact CB-CE2 3.36Å; A802-F857 HydrophobicContact CB-CZ 3.83Å
803	A	97.6	Very high	96.5	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	148.6	179.5	0	0	0	0	0	112.9	S742 I768 V769 V798	S742-A803 PolarHBondContact N-O 2.9Å; S742-A803 PolarHBondContact O-N 3.26Å; I768-A803 HydrophobicContact CG2-CB 3.76Å; V769-A803 CarbonylContact O-C 3.44Å; V769-A803 WeakPolarHBondContact O-CA 3.18Å; V798-A803 HydrophobicContact CG1-CB 4.07Å
804	F	98.4	Very high	96.9	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	134.6	164.7	-72.9	-86.3	0	0	0	110.9	F663 I740 L741 I754 F758 W761 V769	F663-F804 HydrophobicContact CB-CE1 4.04Å; F663-F804 HydrophobicContact CD1-CE1 4.12Å; F663-F804 AromaticContact CD2-CE1 3.84Å; F663-F804 HydrophobicContact CD2-CE1 3.84Å; F663-F804 HydrophobicContact CD2-CZ 4.3Å; F663-F804 HydrophobicContact CE2-CE1 4.31Å; F663-F804 HydrophobicContact CE2-CZ 4.32Å; F663-F804 AromaticContact CG-CE1 3.74Å; F663-F804 HydrophobicContact CG-CE1 3.74Å; F663-F804 HydrophobicContact CG-CZ 4.4Å; F663-F804 HydrophobicContact CZ-CZ 4.43Å; I740-F804 VanDerWaalsContact O-CA 3.26Å; I740-F804 WeakPolarHBondContact O-CA 3.23Å; L741-F804 HydrophobicContact CB-CD1 3.98Å; L741-F804 HydrophobicContact CB-CE1 3.6Å; L741-F804 HydrophobicContact CB-CZ 3.89Å; L741-F804 HydrophobicContact CD1-CD1 4.49Å; L741-F804 HydrophobicContact CD1-CD2 3.96Å; L741-F804 HydrophobicContact CD1-CE1 4.37Å; L741-F804 HydrophobicContact CD1-CE2 3.79Å; L741-F804 HydrophobicContact CD1-CG 4.31Å; L741-F804 HydrophobicContact CD1-CZ 4.01Å; L741-F804 HydrophobicContact CD2-CE1 4.42Å; L741-F804 HydrophobicContact CD2-CE2 4.24Å; L741-F804 HydrophobicContact CD2-CZ 3.85Å; L741-F804 HydrophobicContact CG-CE1 4.34Å; L741-F804 HydrophobicContact CG-CE2 4.41Å; L741-F804 HydrophobicContact CG-CZ 4.13Å; I754-F804 HydrophobicContact CG2-CE2 4.28Å; I754-F804 HydrophobicContact CG2-CZ 3.89Å; I754-F804 WeakPolarHBondContact O-CE2 3.22Å; F758-F804 HydrophobicContact CB-CE1 3.95Å; F758-F804 HydrophobicContact CB-CE2 4.05Å; F758-F804 HydrophobicContact CB-CZ 3.61Å; F758-F804 HydrophobicContact CD2-CD1 4.17Å; F758-F804 AromaticContact CD2-CE1 3.79Å; F758-F804 HydrophobicContact CD2-CE1 3.79Å; F758-F804 HydrophobicContact CD2-CZ 4.35Å; F758-F804 HydrophobicContact CG-CE1 4.23Å; F758-F804 HydrophobicContact CG-CZ 4.36Å; F758-F804 VanDerWaalsContact N-CE2 3.34Å; W761-F804 HydrophobicContact CB-CB 3.78Å; W761-F804 HydrophobicContact CB-CG 4.29Å; W761-F804 HydrophobicContact CG-CB 3.67Å; W761-F804 HydrophobicContact CG-CG 4.45Å; V769-F804 PolarHBondContact N-O 3.11Å; V769-F804 PolarHBondContact O-N 3.3Å
805	F	98.4	Very high	96.9	Very high	1 Å²	1	6.1 Å²	6.1	0%	0.004	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	163.6	166.7	65.3	-90.4	0	0	0	110.4	F729 I740 I768 A810 M836	F729-F805 HydrophobicContact CD1-CE1 4.24Å; F729-F805 AromaticContact CD1-CZ 3.8Å; F729-F805 HydrophobicContact CD1-CZ 3.8Å; F729-F805 HydrophobicContact CE1-CE1 4.04Å; F729-F805 HydrophobicContact CE1-CZ 4.09Å; I740-F805 HydrophobicContact CB-CE1 4.33Å; I740-F805 HydrophobicContact CB-CE2 4.17Å; I740-F805 HydrophobicContact CB-CZ 4.03Å; I740-F805 HydrophobicContact CD1-CE2 3.88Å; I740-F805 HydrophobicContact CD1-CZ 4.16Å; I740-F805 HydrophobicContact CG2-CE1 3.98Å; I740-F805 HydrophobicContact CG2-CE2 4.37Å; I740-F805 HydrophobicContact CG2-CZ 3.75Å; I740-F805 PolarHBondContact N-O 3.1Å; I740-F805 PolarHBondContact O-N 3.5Å; I768-F805 HydrophobicContact CG1-CB 4.35Å; F805-A810 HydrophobicContact CE2-CB 4.46Å; F805-M836 HydrophobicContact CE2-CE 4.39Å
806	H	98	Very high	96.9	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	135.6	-178.7	-166.7	-81.5	0	0	0	111.5	H616 P618 E738 W761 R765 Y808 Y809	H616-H806 AromaticContact CE1-CE1 3.96Å; H616-H806 AromaticContact CG-CE1 3.85Å; H616-H806 AromaticContact ND1-CE1 3.33Å; H616-H806 PolarHBondContact ND1-CE1 3.42Å; H616-H806 VanDerWaalsContact ND1-CE1 3.33Å; P618-H806 HydrophobicContact CB-CB 4.32Å; E738-H806 CarbonylContact O-C 3.27Å; E738-H806 WeakPolarHBondContact O-CA 3.09Å; E738-H806 IonicContact OE2-NE2 3.27Å; W761-H806 HydrophobicContact CZ2-CB 3.89Å; W761-H806 AromaticContact CZ2-CD2 3.65Å; R765-H806 WeakPolarHBondContact O-CB 3.43Å; H806-Y808 WeakPolarHBondContact ND1-CB 3.23Å; H806-Y808 PolarHBondContact ND1-N 2.95Å; H806-Y808 PolarHBondContact O-N 3.29Å; H806-Y809 HydrophobicContact CB-CD2 4.03Å; H806-Y809 HydrophobicContact CB-CE2 4.2Å; H806-Y809 PolarHBondContact O-N 2.94Å
807	K	96.9	Very high	96.7	Very high	3 Å²	3	8.9 Å²	8.9	1%	0.013	5%	0.045	C	C	.	.	H	α-helix	trans	-53.9	-27.3	179.5	178.6	-176.2	-169.6	-173.7	0	113.1	E547 H616 W732 I735 E738 I740 Y809 A810 Y811	E547-K807 IonicContact OE1-NZ 3.48Å; E547-K807 PolarHBondContact OE1-NZ 3.46Å; H616-K807 VanDerWaalsContact CE1-CB 3.48Å; H616-K807 WeakPolarHBondContact CE1-CB 3.39Å; W732-K807 PolarHBondContact O-NZ 3.18Å; I735-K807 HydrophobicContact CB-CD 4.28Å; I735-K807 HydrophobicContact CG2-CD 3.89Å; I735-K807 HydrophobicContact CG2-CG 4.46Å; I735-K807 WeakPolarHBondContact O-CE 3.25Å; I735-K807 PolarHBondContact O-NZ 3.37Å; E738-K807 PolarHBondContact O-N 2.87Å; I740-K807 HydrophobicContact CD1-CB 3.79Å; I740-K807 HydrophobicContact CD1-CG 4.08Å; I740-K807 HydrophobicContact CG1-CB 4.22Å; K807-Y809 PolarHBondContact O-N 3.48Å; K807-A810 WeakPolarHBondContact O-CB 3.27Å; K807-A810 PolarHBondContact O-N 2.99Å; K807-Y811 HydrophobicContact CD-CE2 4.27Å; K807-Y811 WeakPolarHBondContact CE-OH 3.47Å; K807-Y811 HydrophobicContact CG-CE2 3.94Å; K807-Y811 PolarHBondContact NZ-OH 3.03Å; K807-Y811 WeakPolarHBondContact O-CD2 3.35Å; K807-Y811 PolarHBondContact O-N 2.67Å
808	Y	97.1	Very high	96.4	Very high	10 Å²	10	10.3 Å²	10.3	4%	0.039	6%	0.055	C	C	.	.	H	α-helix	trans	-46.1	-42.8	168.2	178.4	-107	0	0	0	113.5	P608 F614 P618 F619 H806 A810 Y811 L812	P608-Y808 WeakPolarHBondContact CD-OH 3.09Å; F614-Y808 HydrophobicContact CB-CD2 4.26Å; F614-Y808 HydrophobicContact CB-CE2 4.46Å; F614-Y808 AromaticContact CD1-CD2 3.63Å; F614-Y808 HydrophobicContact CD1-CD2 3.63Å; F614-Y808 AromaticContact CD1-CE2 3.72Å; F614-Y808 HydrophobicContact CD1-CE2 3.72Å; F614-Y808 HydrophobicContact CD2-CD2 4.38Å; F614-Y808 AromaticContact CD2-CE2 3.79Å; F614-Y808 HydrophobicContact CD2-CE2 3.79Å; F614-Y808 HydrophobicContact CE1-CD2 4.03Å; F614-Y808 AromaticContact CE1-CE2 3.8Å; F614-Y808 HydrophobicContact CE1-CE2 3.8Å; F614-Y808 AromaticContact CE2-CE2 3.9Å; F614-Y808 HydrophobicContact CE2-CE2 3.9Å; F614-Y808 AromaticContact CG-CD2 3.83Å; F614-Y808 HydrophobicContact CG-CD2 3.83Å; F614-Y808 AromaticContact CG-CE2 3.71Å; F614-Y808 HydrophobicContact CG-CE2 3.71Å; F614-Y808 AromaticContact CZ-CE2 3.92Å; F614-Y808 HydrophobicContact CZ-CE2 3.92Å; P618-Y808 HydrophobicContact CG-CD1 3.92Å; P618-Y808 HydrophobicContact CG-CE1 4.48Å; P618-Y808 HydrophobicContact CG-CG 4.36Å; F619-Y808 AromaticContact CE2-CE1 4Å; F619-Y808 HydrophobicContact CE2-CE1 4Å; H806-Y808 WeakPolarHBondContact ND1-CB 3.23Å; H806-Y808 PolarHBondContact ND1-N 2.95Å; H806-Y808 PolarHBondContact O-N 3.29Å; Y808-A810 VanDerWaalsContact C-N 3.32Å; Y808-A810 PolarHBondContact O-N 3.48Å; Y808-Y811 PolarHBondContact O-N 3.23Å; Y808-L812 HydrophobicContact CD1-CD1 4.05Å; Y808-L812 HydrophobicContact CD1-CG 4.34Å; Y808-L812 HydrophobicContact CE1-CD1 3.39Å; Y808-L812 HydrophobicContact CE1-CG 3.97Å; Y808-L812 HydrophobicContact CE2-CD2 4.48Å; Y808-L812 PolarHBondContact O-N 3.33Å
809	Y	98.2	Very high	96.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-73.3	-21.6	-180	-62.7	-57.9	0	0	0	113.6	D766 H806 K807 L812 Y813 V840 I843 T844	D766-Y809 WeakPolarHBondContact O-CE2 3.38Å; D766-Y809 PolarHBondContact O-OH 2.87Å; H806-Y809 HydrophobicContact CB-CD2 4.03Å; H806-Y809 HydrophobicContact CB-CE2 4.2Å; H806-Y809 PolarHBondContact O-N 2.94Å; K807-Y809 PolarHBondContact O-N 3.48Å; Y809-L812 HydrophobicContact CD1-CD1 4.16Å; Y809-L812 HydrophobicContact CE1-CD1 4.48Å; Y809-L812 PolarHBondContact O-N 3.4Å; Y809-Y813 VanDerWaalsContact O-CB 3.25Å; Y809-Y813 WeakPolarHBondContact O-CB 3.45Å; Y809-Y813 PolarHBondContact O-N 3.44Å; Y809-V840 HydrophobicContact CD1-CG2 3.81Å; Y809-V840 HydrophobicContact CD2-CG2 3.81Å; Y809-V840 HydrophobicContact CE1-CG1 4.4Å; Y809-V840 HydrophobicContact CE1-CG2 4.1Å; Y809-V840 HydrophobicContact CE2-CG1 4.07Å; Y809-V840 HydrophobicContact CE2-CG2 4.07Å; Y809-V840 HydrophobicContact CG-CG2 3.67Å; Y809-I843 HydrophobicContact CE1-CB 4.45Å; Y809-I843 HydrophobicContact CE1-CG2 4.27Å; Y809-T844 WeakPolarHBondContact OH-CG2 3.37Å
810	A	97.9	Very high	96	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.008	8%	0.082	C	C	.	.	H	α-helix	trans	-62.8	-46.5	170	0	0	0	0	0	110.6	F729 P731 I740 F805 K807 Y808 L812 Y813 S814	F729-A810 WeakPolarHBondContact O-CA 3.45Å; F729-A810 VanDerWaalsContact O-CB 3.26Å; F729-A810 WeakPolarHBondContact O-CB 3.41Å; P731-A810 HydrophobicContact CB-CB 4.2Å; I740-A810 HydrophobicContact CD1-CB 4.48Å; F805-A810 HydrophobicContact CE2-CB 4.46Å; K807-A810 WeakPolarHBondContact O-CB 3.27Å; K807-A810 PolarHBondContact O-N 2.99Å; Y808-A810 VanDerWaalsContact C-N 3.32Å; Y808-A810 PolarHBondContact O-N 3.48Å; A810-L812 PolarHBondContact O-N 2.89Å; A810-Y813 PolarHBondContact O-N 3.31Å; A810-S814 PolarHBondContact O-N 3.18Å; A810-S814 PolarHBondContact O-OG 3.35Å
811	Y	97.7	Very high	96	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.3	-45	174.9	-63.4	-77.9	0	0	0	112.6	I545 R546 E547 F614 P615 P731 K807 Y808 Y813 S814 Y815	I545-Y811 HydrophobicContact CB-CD1 4.38Å; I545-Y811 HydrophobicContact CD1-CD1 4.07Å; I545-Y811 HydrophobicContact CD1-CG 4.24Å; I545-Y811 HydrophobicContact CG1-CD1 4.01Å; I545-Y811 HydrophobicContact CG2-CD1 3.52Å; I545-Y811 HydrophobicContact CG2-CE1 3.55Å; I545-Y811 HydrophobicContact CG2-CG 4.06Å; R546-Y811 WeakPolarHBondContact O-CE1 3.3Å; E547-Y811 HydrophobicContact CG-CE1 3.97Å; E547-Y811 WeakPolarHBondContact CG-OH 3.42Å; E547-Y811 PolarHBondContact OE1-OH 3.27Å; F614-Y811 HydrophobicContact CD1-CD2 4.19Å; F614-Y811 HydrophobicContact CD1-CG 4.29Å; F614-Y811 HydrophobicContact CE1-CG 4.33Å; P615-Y811 HydrophobicContact CG-CE2 4.44Å; P731-Y811 HydrophobicContact CB-CD1 3.53Å; P731-Y811 HydrophobicContact CB-CD2 4.37Å; P731-Y811 HydrophobicContact CB-CE1 3.43Å; P731-Y811 VanDerWaalsContact CB-CE1 3.43Å; P731-Y811 HydrophobicContact CB-CE2 4.31Å; P731-Y811 HydrophobicContact CB-CG 4.01Å; P731-Y811 HydrophobicContact CG-CD1 3.64Å; P731-Y811 HydrophobicContact CG-CE1 3.85Å; P731-Y811 HydrophobicContact CG-CG 4.34Å; K807-Y811 HydrophobicContact CD-CE2 4.27Å; K807-Y811 WeakPolarHBondContact CE-OH 3.47Å; K807-Y811 HydrophobicContact CG-CE2 3.94Å; K807-Y811 PolarHBondContact NZ-OH 3.03Å; K807-Y811 WeakPolarHBondContact O-CD2 3.35Å; K807-Y811 PolarHBondContact O-N 2.67Å; Y808-Y811 PolarHBondContact O-N 3.23Å; Y811-Y813 VanDerWaalsContact C-N 3.32Å; Y811-Y813 PolarHBondContact O-N 3.21Å; Y811-S814 PolarHBondContact O-N 3.17Å; Y811-Y815 HydrophobicContact CD1-CD2 4.33Å; Y811-Y815 HydrophobicContact CD1-CE2 4.06Å; Y811-Y815 PolarHBondContact O-N 3.09Å
812	L	97.6	Very high	96.1	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	I	π-helix	trans	-64.2	-39.5	179.2	-64.6	-164.9	0	0	0	111.5	P608 F614 Y808 Y809 A810 V816 M817 L839 I843	P608-L812 HydrophobicContact CB-CD2 3.96Å; P608-L812 HydrophobicContact CG-CD2 3.72Å; F614-L812 HydrophobicContact CE1-CD2 4.22Å; F614-L812 HydrophobicContact CZ-CD2 4.03Å; Y808-L812 HydrophobicContact CD1-CD1 4.05Å; Y808-L812 HydrophobicContact CD1-CG 4.34Å; Y808-L812 HydrophobicContact CE1-CD1 3.39Å; Y808-L812 HydrophobicContact CE1-CG 3.97Å; Y808-L812 HydrophobicContact CE2-CD2 4.48Å; Y808-L812 PolarHBondContact O-N 3.33Å; Y809-L812 HydrophobicContact CD1-CD1 4.16Å; Y809-L812 HydrophobicContact CE1-CD1 4.48Å; Y809-L812 PolarHBondContact O-N 3.4Å; A810-L812 PolarHBondContact O-N 2.89Å; L812-V816 HydrophobicContact CB-CB 4.43Å; L812-V816 HydrophobicContact CD2-CB 4.09Å; L812-V816 HydrophobicContact CD2-CG1 4.5Å; L812-V816 HydrophobicContact CD2-CG2 3.63Å; L812-V816 CarbonylContact O-C 3.58Å; L812-V816 WeakPolarHBondContact O-CA 3.22Å; L812-V816 WeakPolarHBondContact O-CB 3.24Å; L812-V816 PolarHBondContact O-N 3.02Å; L812-M817 PolarHBondContact O-N 3.02Å; L812-L839 HydrophobicContact CB-CD1 4.23Å; L812-L839 HydrophobicContact CB-CD2 3.89Å; L812-L839 HydrophobicContact CB-CG 4.47Å; L812-I843 HydrophobicContact CD1-CD1 4.02Å; L812-I843 HydrophobicContact CD1-CG1 3.93Å
813	Y	97.9	Very high	96.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	I	π-helix	trans	-62.4	-45.5	175.9	-171.6	-80.5	0	0	0	111.5	N726 F729 Y809 A810 Y811 M817 R822 A835 M836 L839	N726-Y813 HydrophobicContact CB-CE1 4.27Å; N726-Y813 VanDerWaalsContact OD1-CE1 3.23Å; N726-Y813 WeakPolarHBondContact OD1-CE1 3.41Å; N726-Y813 PolarHBondContact OD1-OH 3.34Å; F729-Y813 HydrophobicContact CB-CD1 3.75Å; F729-Y813 HydrophobicContact CB-CE1 4.15Å; F729-Y813 HydrophobicContact CB-CG 4.07Å; F729-Y813 HydrophobicContact CD2-CD1 4.06Å; F729-Y813 HydrophobicContact CD2-CD2 4.15Å; F729-Y813 AromaticContact CD2-CE1 3.73Å; F729-Y813 HydrophobicContact CD2-CE1 3.73Å; F729-Y813 AromaticContact CD2-CE2 3.81Å; F729-Y813 HydrophobicContact CD2-CE2 3.81Å; F729-Y813 HydrophobicContact CD2-CG 4.28Å; F729-Y813 AromaticContact CD2-CZ 3.61Å; F729-Y813 HydrophobicContact CE2-CE2 4.09Å; F729-Y813 HydrophobicContact CG-CD1 4.32Å; F729-Y813 HydrophobicContact CG-CE1 4.41Å; F729-Y813 HydrophobicContact CG-CG 4.43Å; Y809-Y813 VanDerWaalsContact O-CB 3.25Å; Y809-Y813 WeakPolarHBondContact O-CB 3.45Å; Y809-Y813 PolarHBondContact O-N 3.44Å; A810-Y813 PolarHBondContact O-N 3.31Å; Y811-Y813 VanDerWaalsContact C-N 3.32Å; Y811-Y813 PolarHBondContact O-N 3.21Å; Y813-M817 HydrophobicContact CD2-CE 3.48Å; Y813-M817 VanDerWaalsContact CD2-CE 3.48Å; Y813-M817 HydrophobicContact CD2-SD 4.04Å; Y813-M817 HydrophobicContact CE2-CE 3.75Å; Y813-M817 HydrophobicContact CE2-SD 3.97Å; Y813-M817 HydrophobicContact CG-CE 4.26Å; Y813-M817 WeakPolarHBondContact O-CB 3.32Å; Y813-R822 HydrophobicContact CD1-CG 4.48Å; Y813-R822 HydrophobicContact CE1-CG 3.89Å; Y813-R822 VanDerWaalsContact O-CD 3.28Å; Y813-R822 WeakPolarHBondContact O-CD 3.28Å; Y813-R822 PolarHBondContact O-NE 2.95Å; Y813-A835 HydrophobicContact CE2-CB 3.84Å; Y813-M836 HydrophobicContact CD2-CB 4.44Å; Y813-M836 HydrophobicContact CD2-CE 3.6Å; Y813-M836 HydrophobicContact CD2-SD 4.23Å; Y813-M836 HydrophobicContact CE2-CB 4.46Å; Y813-M836 HydrophobicContact CE2-CE 4.41Å; Y813-M836 HydrophobicContact CG-CE 3.89Å; Y813-L839 HydrophobicContact CD2-CD2 4.38Å
814	S	96.4	Very high	95.9	Very high	7 Å²	7	21.2 Å²	21.2	5%	0.049	11%	0.11	C	C	.	.	I	π-helix	trans	-76.7	-37.6	-175.4	-59.9	0	0	0	0	114.2	F729 P731 A810 Y811 R822	F729-S814 PolarHBondContact O-OG 3.23Å; P731-S814 WeakPolarHBondContact CD-OG 3.44Å; A810-S814 PolarHBondContact O-N 3.18Å; A810-S814 PolarHBondContact O-OG 3.35Å; Y811-S814 PolarHBondContact O-N 3.17Å; S814-R822 PolarHBondContact O-NE 3.5Å; S814-R822 PolarHBondContact O-NH2 3.43Å
815	Y	94.6	Very high	95.8	Very high	74 Å²	74	21.2 Å²	21.2	29%	0.29	11%	0.11	S	C	.	.	I	π-helix	trans	-120	-16.8	-167.4	-53	-54.3	0	0	0	115.3	I545 R546 E548 P731 Y811	I545-Y815 HydrophobicContact CD1-CD2 3.98Å; I545-Y815 HydrophobicContact CG1-CD2 4.06Å; I545-Y815 HydrophobicContact CG1-CE2 4.39Å; R546-Y815 VanDerWaalsContact O-CE2 3.29Å; R546-Y815 WeakPolarHBondContact O-CE2 3.32Å; E548-Y815 VanDerWaalsContact CD-OH 3.24Å; E548-Y815 WeakPolarHBondContact CG-OH 3.36Å; E548-Y815 WeakPolarHBondContact OE1-CE1 3.49Å; E548-Y815 PolarHBondContact OE1-OH 3.41Å; P731-Y815 HydrophobicContact CG-CE2 3.65Å; Y811-Y815 HydrophobicContact CD1-CD2 4.33Å; Y811-Y815 HydrophobicContact CD1-CE2 4.06Å; Y811-Y815 PolarHBondContact O-N 3.09Å
816	V	93.7	Very high	95.7	Very high	58 Å²	58	22.9 Å²	22.9	35%	0.352	12%	0.119	S	C	.	.	I	π-helix	trans	-110.9	-36.4	-177.1	179.5	0	0	0	0	111.8	P608 L812	P608-V816 HydrophobicContact CB-CB 4.38Å; P608-V816 HydrophobicContact CB-CG1 3.73Å; P608-V816 HydrophobicContact CB-CG2 3.77Å; P608-V816 HydrophobicContact CG-CG2 4.46Å; L812-V816 HydrophobicContact CB-CB 4.43Å; L812-V816 HydrophobicContact CD2-CB 4.09Å; L812-V816 HydrophobicContact CD2-CG1 4.5Å; L812-V816 HydrophobicContact CD2-CG2 3.63Å; L812-V816 CarbonylContact O-C 3.58Å; L812-V816 WeakPolarHBondContact O-CA 3.22Å; L812-V816 WeakPolarHBondContact O-CB 3.24Å; L812-V816 PolarHBondContact O-N 3.02Å
817	M	94.2	Very high	95.5	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.03	15%	0.151	C	C	.	.	S	Bend	trans	-60.2	134.5	176.4	-177.5	-176.8	-76	0	0	110.1	L812 Y813 Q819 I821 R822 A835 L839	L812-M817 PolarHBondContact O-N 3.02Å; Y813-M817 HydrophobicContact CD2-CE 3.48Å; Y813-M817 VanDerWaalsContact CD2-CE 3.48Å; Y813-M817 HydrophobicContact CD2-SD 4.04Å; Y813-M817 HydrophobicContact CE2-CE 3.75Å; Y813-M817 HydrophobicContact CE2-SD 3.97Å; Y813-M817 HydrophobicContact CG-CE 4.26Å; Y813-M817 WeakPolarHBondContact O-CB 3.32Å; M817-Q819 PolarHBondContact O-N 3.05Å; M817-I821 HydrophobicContact CE-CG2 4.49Å; M817-I821 HydrophobicContact CG-CB 4.08Å; M817-I821 HydrophobicContact CG-CD1 4.1Å; M817-I821 HydrophobicContact CG-CG2 4.18Å; M817-I821 HydrophobicContact SD-CB 3.91Å; M817-I821 HydrophobicContact SD-CD1 4.48Å; M817-I821 HydrophobicContact SD-CG2 3.38Å; M817-I821 WeakPolarHBondContact SD-CG2 3.3Å; M817-R822 HydrophobicContact SD-CG 4.22Å; M817-A835 HydrophobicContact CE-CB 4.21Å; M817-A835 WeakPolarHBondContact CE-O 3.19Å; M817-A835 HydrophobicContact SD-CB 4.35Å; M817-L839 HydrophobicContact CE-CB 3.62Å; M817-L839 HydrophobicContact CE-CD1 4.34Å; M817-L839 HydrophobicContact CE-CD2 4.01Å; M817-L839 HydrophobicContact CE-CG 4.2Å
818	P	91.9	Very high	95.3	Very high	30 Å²	30	32.4 Å²	32.4	20%	0.195	16%	0.161	C	C	.	.			trans	-50.2	130.1	177.1	-29.2	35.3	0	0	0	111.8	F328 A820 I821 V886	F328-P818 HydrophobicContact CE2-CB 4.25Å; F328-P818 HydrophobicContact CZ-CB 4.27Å; F328-P818 HydrophobicContact CZ-CG 4.3Å; P818-A820 PolarHBondContact O-N 2.94Å; P818-A820 VanDerWaalsContact O-N 3.14Å; P818-I821 WeakPolarHBondContact O-CB 3.3Å; P818-I821 PolarHBondContact O-N 3.36Å; P818-V886 HydrophobicContact CB-CG1 3.95Å; P818-V886 HydrophobicContact CG-CG1 3.91Å
819	Q	91.9	Very high	95.1	Very high	88 Å²	88	34.9 Å²	34.9	41%	0.411	18%	0.175	S	C	.	.	H	α-helix	trans	-54.4	-37.2	-176.8	-178.9	64.1	57.6	0	0	111.7	M817 I821 R822 D823	M817-Q819 PolarHBondContact O-N 3.05Å; Q819-I821 PolarHBondContact O-N 2.78Å; Q819-I821 VanDerWaalsContact O-N 3.12Å; Q819-R822 PolarHBondContact O-N 2.95Å; Q819-D823 PolarHBondContact NE2-OD1 2.92Å; Q819-D823 VanDerWaalsContact O-CG 3.29Å; Q819-D823 PolarHBondContact O-N 2.95Å
820	A	92.5	Very high	94.9	Very high	35 Å²	35	35.2 Å²	35.2	29%	0.289	18%	0.176	S	C	.	.	H	α-helix	trans	-55.8	-30.5	177.8	0	0	0	0	0	114.3	P818 M824 F882	P818-A820 PolarHBondContact O-N 2.94Å; P818-A820 VanDerWaalsContact O-N 3.14Å; A820-M824 PolarHBondContact O-N 2.97Å; A820-M824 VanDerWaalsContact O-N 3.14Å; A820-F882 HydrophobicContact CB-CE1 4.45Å; A820-F882 HydrophobicContact CB-CZ 4.17Å
821	I	95	Very high	94.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-70	-45.3	175	-67.8	179	0	0	0	110.2	M817 P818 Q819 D823 M824 V825 A835 F883 V886 Y887	M817-I821 HydrophobicContact CE-CG2 4.49Å; M817-I821 HydrophobicContact CG-CB 4.08Å; M817-I821 HydrophobicContact CG-CD1 4.1Å; M817-I821 HydrophobicContact CG-CG2 4.18Å; M817-I821 HydrophobicContact SD-CB 3.91Å; M817-I821 HydrophobicContact SD-CD1 4.48Å; M817-I821 HydrophobicContact SD-CG2 3.38Å; M817-I821 WeakPolarHBondContact SD-CG2 3.3Å; P818-I821 WeakPolarHBondContact O-CB 3.3Å; P818-I821 PolarHBondContact O-N 3.36Å; Q819-I821 PolarHBondContact O-N 2.78Å; Q819-I821 VanDerWaalsContact O-N 3.12Å; I821-D823 VanDerWaalsContact C-N 3.33Å; I821-M824 PolarHBondContact O-N 2.77Å; I821-V825 WeakPolarHBondContact O-CG2 3.43Å; I821-V825 PolarHBondContact O-N 3.21Å; I821-V825 VanDerWaalsContact O-N 3.12Å; I821-A835 HydrophobicContact CG2-CB 3.84Å; I821-F883 HydrophobicContact CB-CD1 4.37Å; I821-F883 HydrophobicContact CB-CE1 4.27Å; I821-F883 HydrophobicContact CD1-CD1 4.4Å; I821-F883 HydrophobicContact CG1-CD1 3.96Å; I821-F883 HydrophobicContact CG1-CE1 4.35Å; I821-F883 HydrophobicContact CG2-CD1 3.89Å; I821-F883 HydrophobicContact CG2-CE1 3.59Å; I821-F883 HydrophobicContact CG2-CZ 3.96Å; I821-V886 HydrophobicContact CD1-CB 4.3Å; I821-V886 HydrophobicContact CD1-CG1 3.93Å; I821-V886 HydrophobicContact CG1-CB 4.32Å; I821-V886 HydrophobicContact CG1-CG1 4.05Å; I821-V886 HydrophobicContact CG1-CG2 4.38Å; I821-Y887 HydrophobicContact CD1-CD2 4.15Å; I821-Y887 HydrophobicContact CD1-CE2 3.55Å
822	R	96	Very high	94.7	Very high	44 Å²	44	35.8 Å²	35.8	17%	0.166	18%	0.179	C	C	.	.	H	α-helix	trans	-67.4	-35.4	178.3	-70.6	-171.5	-79.3	110.3	4.4	111.8	N726 Y813 S814 M817 Q819 V825 D826	N726-R822 PolarHBondContact ND2-O 2.9Å; Y813-R822 HydrophobicContact CD1-CG 4.48Å; Y813-R822 HydrophobicContact CE1-CG 3.89Å; Y813-R822 VanDerWaalsContact O-CD 3.28Å; Y813-R822 WeakPolarHBondContact O-CD 3.28Å; Y813-R822 PolarHBondContact O-NE 2.95Å; S814-R822 PolarHBondContact O-NE 3.5Å; S814-R822 PolarHBondContact O-NH2 3.43Å; M817-R822 HydrophobicContact SD-CG 4.22Å; Q819-R822 PolarHBondContact O-N 2.95Å; R822-V825 WeakPolarHBondContact O-CB 3.38Å; R822-V825 PolarHBondContact O-N 3.3Å; R822-D826 PolarHBondContact O-N 3.41Å
823	D	95.6	Very high	94.7	Very high	75 Å²	75	36 Å²	36	40%	0.401	18%	0.18	S	C	.	.	H	α-helix	trans	-64.1	-41.2	174.7	-64	-19.6	0	0	0	111.5	Q819 I821 V825 D826 E827	Q819-D823 PolarHBondContact NE2-OD1 2.92Å; Q819-D823 VanDerWaalsContact O-CG 3.29Å; Q819-D823 PolarHBondContact O-N 2.95Å; I821-D823 VanDerWaalsContact C-N 3.33Å; D823-V825 VanDerWaalsContact C-N 3.33Å; D823-V825 PolarHBondContact O-N 3.14Å; D823-D826 WeakPolarHBondContact O-CB 3.22Å; D823-D826 PolarHBondContact O-N 2.55Å; D823-D826 VanDerWaalsContact O-N 3.17Å; D823-E827 WeakPolarHBondContact O-CB 3.31Å; D823-E827 PolarHBondContact O-N 3.17Å
824	M	94.9	Very high	94.7	Very high	14 Å²	14	36 Å²	36	7%	0.069	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-35.8	175.3	-169.9	-172.7	-165.2	0	0	112.4	A820 I821 D826 E827 Y828 K878 C879 F882 F883	A820-M824 PolarHBondContact O-N 2.97Å; A820-M824 VanDerWaalsContact O-N 3.14Å; I821-M824 PolarHBondContact O-N 2.77Å; M824-D826 VanDerWaalsContact C-N 3.3Å; M824-E827 PolarHBondContact O-N 2.8Å; M824-Y828 HydrophobicContact CE-CD2 4.07Å; M824-Y828 HydrophobicContact CE-CE2 3.46Å; M824-Y828 VanDerWaalsContact CE-CE2 3.46Å; M824-Y828 HydrophobicContact CG-CD2 3.89Å; M824-Y828 HydrophobicContact CG-CE2 3.91Å; M824-Y828 PolarHBondContact O-N 3.5Å; M824-Y828 VanDerWaalsContact O-N 3.08Å; M824-K878 HydrophobicContact CE-CB 4.23Å; M824-C879 HydrophobicContact CE-CB 4.41Å; M824-F882 HydrophobicContact CB-CD1 4.32Å; M824-F882 HydrophobicContact CB-CE1 4.19Å; M824-F882 HydrophobicContact CE-CB 3.44Å; M824-F882 VanDerWaalsContact CE-CB 3.44Å; M824-F882 HydrophobicContact CE-CD1 4.18Å; M824-F882 HydrophobicContact CE-CG 3.88Å; M824-F882 HydrophobicContact CG-CD1 4.31Å; M824-F882 HydrophobicContact SD-CB 3.47Å; M824-F882 WeakPolarHBondContact SD-CB 3.11Å; M824-F882 HydrophobicContact SD-CD1 3.09Å; M824-F882 WeakPolarHBondContact SD-CD1 3.43Å; M824-F882 HydrophobicContact SD-CD2 4.42Å; M824-F882 HydrophobicContact SD-CE1 3.87Å; M824-F882 HydrophobicContact SD-CG 3.42Å; M824-F882 WeakPolarHBondContact SD-CG 3.42Å; M824-F883 HydrophobicContact SD-CD1 4.29Å; M824-F883 HydrophobicContact SD-CE1 3.73Å
825	V	96.3	Very high	94.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-39.3	172.6	169.1	0	0	0	0	110.8	L725 N726 I821 R822 D823 I829 N830 E832 A835 F883	L725-V825 HydrophobicContact CB-CG1 4.28Å; N726-V825 WeakPolarHBondContact OD1-CG1 3.35Å; I821-V825 WeakPolarHBondContact O-CG2 3.43Å; I821-V825 PolarHBondContact O-N 3.21Å; I821-V825 VanDerWaalsContact O-N 3.12Å; R822-V825 WeakPolarHBondContact O-CB 3.38Å; R822-V825 PolarHBondContact O-N 3.3Å; D823-V825 VanDerWaalsContact C-N 3.33Å; D823-V825 PolarHBondContact O-N 3.14Å; V825-I829 WeakPolarHBondContact O-CA 3.45Å; V825-I829 PolarHBondContact O-N 3.47Å; V825-N830 WeakPolarHBondContact CA-O 3.27Å; V825-N830 PolarHBondContact O-N 3.4Å; V825-E832 HydrophobicContact CG1-CB 3.67Å; V825-A835 HydrophobicContact CG2-CB 4.34Å; V825-F883 HydrophobicContact CG2-CZ 4.31Å
826	D	95.6	Very high	95	Very high	36 Å²	36	32.2 Å²	32.2	19%	0.193	17%	0.165	C	C	.	.	H	α-helix	trans	-70.2	-38.1	175.2	-76.6	-15.3	0	0	0	112.4	K722 S724 N726 R822 D823 M824 I829	K722-D826 WeakPolarHBondContact CE-OD2 3.37Å; K722-D826 IonicContact NZ-OD2 3.79Å; K722-D826 PolarHBondContact NZ-OD2 2.96Å; S724-D826 VanDerWaalsContact CB-OD1 3.27Å; S724-D826 WeakPolarHBondContact CB-OD1 3.11Å; S724-D826 PolarHBondContact OG-OD1 2.54Å; N726-D826 VanDerWaalsContact ND2-CG 3.35Å; N726-D826 PolarHBondContact ND2-OD1 2.83Å; R822-D826 PolarHBondContact O-N 3.41Å; D823-D826 WeakPolarHBondContact O-CB 3.22Å; D823-D826 PolarHBondContact O-N 2.55Å; D823-D826 VanDerWaalsContact O-N 3.17Å; M824-D826 VanDerWaalsContact C-N 3.3Å; D826-I829 WeakPolarHBondContact O-CG1 3.46Å
827	E	94.5	Very high	95.3	Very high	142 Å²	142	29.5 Å²	29.5	66%	0.664	15%	0.148	S	C	*	.	H	α-helix	trans	-62.9	-44.8	179	-174	-175.4	156.2	0	0	111.8	D823 M824	D823-E827 WeakPolarHBondContact O-CB 3.31Å; D823-E827 PolarHBondContact O-N 3.17Å; M824-E827 PolarHBondContact O-N 2.8Å
828	Y	92.4	Very high	95.5	Very high	60 Å²	60	29.2 Å²	29.2	24%	0.235	15%	0.147	C	C	.	.	H	α-helix	trans	-94.4	-11	-179.5	-65.1	-41.7	0	0	0	114.6	M824 N830 E875 K878	M824-Y828 HydrophobicContact CE-CD2 4.07Å; M824-Y828 HydrophobicContact CE-CE2 3.46Å; M824-Y828 VanDerWaalsContact CE-CE2 3.46Å; M824-Y828 HydrophobicContact CG-CD2 3.89Å; M824-Y828 HydrophobicContact CG-CE2 3.91Å; M824-Y828 PolarHBondContact O-N 3.5Å; M824-Y828 VanDerWaalsContact O-N 3.08Å; Y828-N830 PolarHBondContact O-N 3.37Å; Y828-E875 HydrophobicContact CD1-CG 4.38Å; Y828-E875 HydrophobicContact CG-CG 4.49Å; Y828-K878 HydrophobicContact CE2-CB 4.47Å
829	I	92.3	Very high	95.8	Very high	63 Å²	63	28 Å²	28	32%	0.323	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	47.8	-171	-48.5	-175.5	0	0	0	109.6	L725 V825 D826	L725-I829 HydrophobicContact CD1-CG2 4.1Å; L725-I829 VanDerWaalsContact CD1-O 3.27Å; L725-I829 WeakPolarHBondContact CD1-O 3.31Å; L725-I829 HydrophobicContact CD2-CG2 4.34Å; L725-I829 HydrophobicContact CG-CG2 3.88Å; V825-I829 WeakPolarHBondContact O-CA 3.45Å; V825-I829 PolarHBondContact O-N 3.47Å; D826-I829 WeakPolarHBondContact O-CG1 3.46Å
830	N	93.6	Very high	96.1	Very high	6 Å²	6	24 Å²	24	3%	0.032	12%	0.12	C	C	.	.			trans	-158.8	173.6	-174	-154.9	-21.9	0	0	0	109.8	V825 Y828 E832 H872 E875 R876	V825-N830 WeakPolarHBondContact CA-O 3.27Å; V825-N830 PolarHBondContact O-N 3.4Å; Y828-N830 PolarHBondContact O-N 3.37Å; N830-E832 VanDerWaalsContact C-N 3.26Å; N830-E832 PolarHBondContact O-N 2.81Å; N830-H872 PolarHBondContact ND2-ND1 3.24Å; N830-H872 VanDerWaalsContact ND2-ND1 3.17Å; N830-E875 PolarHBondContact ND2-OE2 2.79Å; N830-E875 VanDerWaalsContact ND2-OE2 3.14Å; N830-R876 PolarHBondContact OD1-NE 3.47Å; N830-R876 PolarHBondContact OD1-NH2 3.42Å
831	C	95.9	Very high	96.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.107	C	C	.	.			trans	67.7	9.8	168.8	-45.4	0	0	0	0	117.1	D833 I834 A835 C879 F883	C831-D833 PolarHBondContact O-N 3.36Å; C831-I834 HydrophobicContact CB-CB 4.45Å; C831-I834 HydrophobicContact CB-CD1 4.31Å; C831-I834 PolarHBondContact O-N 3.5Å; C831-A835 WeakPolarHBondContact O-CB 3.47Å; C831-A835 PolarHBondContact O-N 3.06Å; C831-C879 HydrophobicContact CB-CB 3.45Å; C831-C879 VanDerWaalsContact CB-CB 3.45Å; C831-C879 WeakPolarHBondContact CB-SG 3.5Å; C831-C879 WeakPolarHBondContact SG-CB 3.27Å; C831-C879 CovalentContact SG-SG 2.03Å; C831-C879 PolarHBondContact SG-SG 2.96Å; C831-F883 HydrophobicContact CB-CE2 4.24Å; C831-F883 HydrophobicContact CB-CZ 4.11Å
832	E	96.9	Very high	96.4	Very high	14 Å²	14	24.8 Å²	24.8	7%	0.065	12%	0.118	C	C	.	.	H	α-helix	trans	-62.6	-36.2	176.3	85.6	-66.5	172.8	0	0	111.3	L725 R728 F729 V825 N830 A835 M836	L725-E832 HydrophobicContact CB-CB 4.06Å; L725-E832 HydrophobicContact CB-CG 3.98Å; L725-E832 WeakPolarHBondContact CD1-OE2 3.16Å; R728-E832 IonicContact NH1-OE1 2.68Å; F729-E832 HydrophobicContact CE2-CB 3.78Å; F729-E832 HydrophobicContact CE2-CG 3.59Å; F729-E832 HydrophobicContact CZ-CG 4.08Å; V825-E832 HydrophobicContact CG1-CB 3.67Å; N830-E832 VanDerWaalsContact C-N 3.26Å; N830-E832 PolarHBondContact O-N 2.81Å; E832-A835 PolarHBondContact O-N 3.48Å; E832-M836 PolarHBondContact O-N 2.68Å
833	D	97.1	Very high	96.4	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.027	12%	0.118	C	C	.	.	H	α-helix	trans	-66.1	-43	174.9	58	-2.9	0	0	0	112.2	L799 T800 C831 M836 N837 R876	L799-D833 HydrophobicContact CD2-CB 4.47Å; L799-D833 VanDerWaalsContact CD2-OD2 3.24Å; L799-D833 WeakPolarHBondContact CD2-OD2 3.46Å; T800-D833 WeakPolarHBondContact OG1-CA 3.4Å; T800-D833 WeakPolarHBondContact OG1-CB 3.27Å; C831-D833 PolarHBondContact O-N 3.36Å; D833-M836 PolarHBondContact O-N 3.23Å; D833-N837 PolarHBondContact O-N 2.8Å; D833-N837 PolarHBondContact O-ND2 3.07Å; D833-R876 IonicContact OD1-CZ 3.37Å; D833-R876 IonicContact OD1-NH1 3.75Å; D833-R876 PolarHBondContact OD1-NH1 3.18Å; D833-R876 IonicContact OD1-NH2 3.27Å; D833-R876 PolarHBondContact OD1-NH2 3.33Å; D833-R876 IonicContact OD2-CZ 2.65Å; D833-R876 VanDerWaalsContact OD2-CZ 3.28Å; D833-R876 IonicContact OD2-NH1 3.96Å; D833-R876 PolarHBondContact OD2-NH1 2.78Å; D833-R876 IonicContact OD2-NH2 3.35Å; D833-R876 PolarHBondContact OD2-NH2 2.99Å
834	I	98.3	Very high	96.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63	-46.7	174.4	-61.5	173.7	0	0	0	109.2	Y787 M797 C831 M836 N837 F838 R876 I880 F883	Y787-I834 HydrophobicContact CD2-CD1 3.99Å; Y787-I834 HydrophobicContact CE2-CD1 4.38Å; M797-I834 HydrophobicContact SD-CB 4.41Å; M797-I834 HydrophobicContact SD-CG1 4Å; M797-I834 HydrophobicContact SD-CG2 4.12Å; C831-I834 HydrophobicContact CB-CB 4.45Å; C831-I834 HydrophobicContact CB-CD1 4.31Å; C831-I834 PolarHBondContact O-N 3.5Å; I834-M836 VanDerWaalsContact C-N 3.33Å; I834-M836 PolarHBondContact O-N 2.7Å; I834-N837 PolarHBondContact O-N 2.95Å; I834-N837 VanDerWaalsContact O-N 3.16Å; I834-F838 HydrophobicContact CG2-CD2 3.68Å; I834-F838 HydrophobicContact CG2-CE2 3.62Å; I834-F838 VanDerWaalsContact O-CD2 3.31Å; I834-F838 WeakPolarHBondContact O-CD2 3.49Å; I834-F838 PolarHBondContact O-N 2.76Å; I834-R876 HydrophobicContact CD1-CB 3.96Å; I834-R876 HydrophobicContact CD1-CG 3.88Å; I834-I880 HydrophobicContact CD1-CD1 4.46Å; I834-I880 HydrophobicContact CD1-CG1 4.17Å; I834-I880 HydrophobicContact CG2-CG1 3.88Å; I834-F883 HydrophobicContact CB-CE2 4.17Å; I834-F883 HydrophobicContact CG2-CD2 3.87Å; I834-F883 HydrophobicContact CG2-CE2 3.86Å
835	A	98.4	Very high	96.5	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.008	11%	0.114	C	C	.	.	H	α-helix	trans	-58.8	-43.4	178.8	0	0	0	0	0	111.7	Y813 M817 I821 V825 C831 E832 F838 L839 F883	Y813-A835 HydrophobicContact CE2-CB 3.84Å; M817-A835 HydrophobicContact CE-CB 4.21Å; M817-A835 WeakPolarHBondContact CE-O 3.19Å; M817-A835 HydrophobicContact SD-CB 4.35Å; I821-A835 HydrophobicContact CG2-CB 3.84Å; V825-A835 HydrophobicContact CG2-CB 4.34Å; C831-A835 WeakPolarHBondContact O-CB 3.47Å; C831-A835 PolarHBondContact O-N 3.06Å; E832-A835 PolarHBondContact O-N 3.48Å; A835-F838 WeakPolarHBondContact O-CB 3.24Å; A835-F838 PolarHBondContact O-N 2.92Å; A835-L839 PolarHBondContact O-N 2.78Å; A835-F883 HydrophobicContact CB-CE2 3.84Å; A835-F883 HydrophobicContact CB-CZ 4.06Å
836	M	98.6	Very high	96.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.4	-42.2	174.9	-174.7	59.4	76.7	0	0	112.3	F729 I768 T800 F805 Y813 E832 D833 I834 L839 V840	F729-M836 HydrophobicContact CB-CE 4.08Å; F729-M836 HydrophobicContact CD1-CE 3.44Å; F729-M836 VanDerWaalsContact CD1-CE 3.44Å; F729-M836 HydrophobicContact CD2-CE 4.07Å; F729-M836 HydrophobicContact CE1-CE 3.77Å; F729-M836 HydrophobicContact CE2-CB 4.43Å; F729-M836 HydrophobicContact CE2-CE 4.32Å; F729-M836 HydrophobicContact CG-CE 3.61Å; F729-M836 HydrophobicContact CZ-CB 4.18Å; F729-M836 HydrophobicContact CZ-CE 4.2Å; I768-M836 HydrophobicContact CD1-CG 3.96Å; T800-M836 HydrophobicContact CG2-CB 4.03Å; T800-M836 HydrophobicContact CG2-CG 3.89Å; F805-M836 HydrophobicContact CE2-CE 4.39Å; Y813-M836 HydrophobicContact CD2-CB 4.44Å; Y813-M836 HydrophobicContact CD2-CE 3.6Å; Y813-M836 HydrophobicContact CD2-SD 4.23Å; Y813-M836 HydrophobicContact CE2-CB 4.46Å; Y813-M836 HydrophobicContact CE2-CE 4.41Å; Y813-M836 HydrophobicContact CG-CE 3.89Å; E832-M836 PolarHBondContact O-N 2.68Å; D833-M836 PolarHBondContact O-N 3.23Å; I834-M836 VanDerWaalsContact C-N 3.33Å; I834-M836 PolarHBondContact O-N 2.7Å; M836-L839 PolarHBondContact O-N 3.28Å; M836-L839 HydrophobicContact SD-CD2 4.2Å; M836-V840 WeakPolarHBondContact O-CG2 3.45Å; M836-V840 PolarHBondContact O-N 2.9Å; M836-V840 HydrophobicContact SD-CG2 4.16Å
837	N	98.6	Very high	96.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65	-39.1	175.8	-81.7	-93.9	0	0	0	112.3	I768 M797 V798 D833 I834 S841 L892	I768-N837 HydrophobicContact CD1-CB 4.42Å; M797-N837 WeakPolarHBondContact CA-OD1 3.21Å; M797-N837 HydrophobicContact CB-CB 4.35Å; M797-N837 HydrophobicContact CG-CB 3.89Å; V798-N837 PolarHBondContact N-OD1 2.91Å; V798-N837 PolarHBondContact O-ND2 3.33Å; V798-N837 PolarHBondContact O-OD1 2.97Å; D833-N837 PolarHBondContact O-N 2.8Å; D833-N837 PolarHBondContact O-ND2 3.07Å; I834-N837 PolarHBondContact O-N 2.95Å; I834-N837 VanDerWaalsContact O-N 3.16Å; N837-S841 WeakPolarHBondContact O-CB 3.44Å; N837-S841 PolarHBondContact O-N 2.75Å; N837-S841 PolarHBondContact O-OG 3.32Å; N837-L892 HydrophobicContact CB-CD2 3.89Å
838	F	98.5	Very high	96.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.7	-48.6	173.5	-95.4	-115.1	0	0	0	110.8	I834 A835 S841 H842 I880 F883 V884 Y887 M890 P891 L892	I834-F838 HydrophobicContact CG2-CD2 3.68Å; I834-F838 HydrophobicContact CG2-CE2 3.62Å; I834-F838 VanDerWaalsContact O-CD2 3.31Å; I834-F838 WeakPolarHBondContact O-CD2 3.49Å; I834-F838 PolarHBondContact O-N 2.76Å; A835-F838 WeakPolarHBondContact O-CB 3.24Å; A835-F838 PolarHBondContact O-N 2.92Å; F838-S841 PolarHBondContact O-N 2.79Å; F838-H842 WeakPolarHBondContact O-CB 3.29Å; F838-H842 PolarHBondContact O-N 3.37Å; F838-I880 HydrophobicContact CE2-CG1 4.46Å; F838-I880 HydrophobicContact CZ-CG2 4.09Å; F838-F883 HydrophobicContact CD1-CB 3.64Å; F838-F883 HydrophobicContact CD1-CD2 4.49Å; F838-F883 HydrophobicContact CD2-CD2 4.26Å; F838-F883 HydrophobicContact CE1-CB 3.49Å; F838-F883 VanDerWaalsContact CE1-CB 3.49Å; F838-F883 HydrophobicContact CE2-CD2 4.38Å; F838-F883 HydrophobicContact CG-CB 4.29Å; F838-F883 HydrophobicContact CG-CD2 4.31Å; F838-F883 HydrophobicContact CZ-CB 4.01Å; F838-V884 HydrophobicContact CE1-CG2 3.96Å; F838-V884 HydrophobicContact CZ-CG2 4.02Å; F838-Y887 HydrophobicContact CB-CE2 3.97Å; F838-Y887 AromaticContact CD1-CD2 3.77Å; F838-Y887 HydrophobicContact CD1-CD2 3.77Å; F838-Y887 AromaticContact CD1-CE2 3.91Å; F838-Y887 HydrophobicContact CD1-CE2 3.91Å; F838-Y887 HydrophobicContact CG-CE2 4.44Å; F838-M890 HydrophobicContact CE1-SD 4.19Å; F838-M890 HydrophobicContact CE2-SD 4.36Å; F838-M890 HydrophobicContact CZ-CE 4.18Å; F838-M890 HydrophobicContact CZ-SD 3.68Å; F838-P891 HydrophobicContact CD1-CG 3.66Å; F838-P891 HydrophobicContact CE1-CG 4.08Å; F838-P891 HydrophobicContact CG-CG 4.47Å; F838-L892 HydrophobicContact CD2-CD1 3.83Å; F838-L892 HydrophobicContact CD2-CD2 3.71Å; F838-L892 HydrophobicContact CD2-CG 3.64Å; F838-L892 HydrophobicContact CE2-CD1 3.36Å; F838-L892 HydrophobicContact CE2-CD2 4.13Å; F838-L892 HydrophobicContact CE2-CG 3.54Å; F838-L892 HydrophobicContact CG-CD2 4.36Å; F838-L892 HydrophobicContact CG-CG 4.38Å; F838-L892 HydrophobicContact CZ-CD1 4.16Å; F838-L892 HydrophobicContact CZ-CG 4.18Å
839	L	98.4	Very high	97	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.021	9%	0.092	C	C	.	.	H	α-helix	trans	-58.8	-55.7	178.4	178.2	66.7	0	0	0	111.8	L812 Y813 M817 A835 M836 S841 H842 I843	L812-L839 HydrophobicContact CB-CD1 4.23Å; L812-L839 HydrophobicContact CB-CD2 3.89Å; L812-L839 HydrophobicContact CB-CG 4.47Å; Y813-L839 HydrophobicContact CD2-CD2 4.38Å; M817-L839 HydrophobicContact CE-CB 3.62Å; M817-L839 HydrophobicContact CE-CD1 4.34Å; M817-L839 HydrophobicContact CE-CD2 4.01Å; M817-L839 HydrophobicContact CE-CG 4.2Å; A835-L839 PolarHBondContact O-N 2.78Å; M836-L839 PolarHBondContact O-N 3.28Å; M836-L839 HydrophobicContact SD-CD2 4.2Å; L839-S841 VanDerWaalsContact C-N 3.32Å; L839-S841 PolarHBondContact O-N 2.97Å; L839-H842 WeakPolarHBondContact O-CB 3.46Å; L839-H842 PolarHBondContact O-N 3.47Å; L839-H842 VanDerWaalsContact O-N 3.16Å; L839-I843 HydrophobicContact CD1-CG1 4.17Å; L839-I843 VanDerWaalsContact O-CG1 3.3Å; L839-I843 WeakPolarHBondContact O-CG1 3.4Å; L839-I843 PolarHBondContact O-N 3.01Å
840	V	98.4	Very high	97.2	Very high	5 Å²	5	16.2 Å²	16.2	3%	0.03	8%	0.078	C	C	.	.	H	α-helix	trans	-63.5	-40.1	-176.6	178	0	0	0	0	111	I768 Y809 M836 I843 T844	I768-V840 HydrophobicContact CD1-CB 4.02Å; I768-V840 HydrophobicContact CD1-CG2 3.84Å; I768-V840 HydrophobicContact CG1-CB 4.09Å; I768-V840 HydrophobicContact CG1-CG1 4.14Å; I768-V840 HydrophobicContact CG1-CG2 3.84Å; Y809-V840 HydrophobicContact CD1-CG2 3.81Å; Y809-V840 HydrophobicContact CD2-CG2 3.81Å; Y809-V840 HydrophobicContact CE1-CG1 4.4Å; Y809-V840 HydrophobicContact CE1-CG2 4.1Å; Y809-V840 HydrophobicContact CE2-CG1 4.07Å; Y809-V840 HydrophobicContact CE2-CG2 4.07Å; Y809-V840 HydrophobicContact CG-CG2 3.67Å; M836-V840 WeakPolarHBondContact O-CG2 3.45Å; M836-V840 PolarHBondContact O-N 2.9Å; M836-V840 HydrophobicContact SD-CG2 4.16Å; V840-I843 PolarHBondContact O-N 2.85Å; V840-T844 HydrophobicContact CG1-CG2 4.11Å; V840-T844 WeakPolarHBondContact O-CB 3.31Å; V840-T844 VanDerWaalsContact O-CG2 3.28Å; V840-T844 WeakPolarHBondContact O-CG2 3.3Å; V840-T844 PolarHBondContact O-N 3.37Å; V840-T844 PolarHBondContact O-OG1 2.95Å
841	S	97.9	Very high	97.1	Very high	2 Å²	2	16 Å²	16	1%	0.014	8%	0.076	C	C	.	.	H	α-helix	trans	-68.3	-34.5	176.6	-56.3	0	0	0	0	112.4	N837 F838 L839 R845 P891	N837-S841 WeakPolarHBondContact O-CB 3.44Å; N837-S841 PolarHBondContact O-N 2.75Å; N837-S841 PolarHBondContact O-OG 3.32Å; F838-S841 PolarHBondContact O-N 2.79Å; L839-S841 VanDerWaalsContact C-N 3.32Å; L839-S841 PolarHBondContact O-N 2.97Å; S841-R845 VanDerWaalsContact O-CA 3.24Å; S841-R845 WeakPolarHBondContact O-CA 3.48Å; S841-R845 PolarHBondContact O-N 2.88Å; S841-R845 PolarHBondContact O-NH1 3.44Å; S841-P891 WeakPolarHBondContact CB-O 3.36Å
842	H	96.4	Very high	96.7	Very high	49 Å²	49	16 Å²	16	23%	0.227	8%	0.076	C	C	.	.	H	α-helix	trans	-64.6	-49	175.3	178.2	88.4	0	0	0	111	F838 L839 R845 Y887 Y889 P891	F838-H842 WeakPolarHBondContact O-CB 3.29Å; F838-H842 PolarHBondContact O-N 3.37Å; L839-H842 WeakPolarHBondContact O-CB 3.46Å; L839-H842 PolarHBondContact O-N 3.47Å; L839-H842 VanDerWaalsContact O-N 3.16Å; H842-R845 WeakPolarHBondContact O-CD 3.38Å; H842-Y887 HydrophobicContact CB-CD1 4.41Å; H842-Y887 HydrophobicContact CB-CE1 3.94Å; H842-Y887 AromaticContact CD2-CE1 3.95Å; H842-Y887 AromaticContact CE1-CD1 3.71Å; H842-Y887 AromaticContact CG-CD1 3.84Å; H842-Y887 AromaticContact CG-CE1 3.57Å; H842-Y887 AromaticContact ND1-CD1 3.36Å; H842-Y887 WeakPolarHBondContact ND1-CD1 3.5Å; H842-Y887 AromaticContact ND1-CE1 3.62Å; H842-Y889 AromaticContact CE1-CE1 3.94Å; H842-Y889 AromaticContact ND1-CE1 3.61Å; H842-Y889 AromaticContact ND1-CZ 3.63Å; H842-Y889 PolarHBondContact ND1-OH 3.34Å; H842-P891 HydrophobicContact CB-CB 3.93Å; H842-P891 HydrophobicContact CB-CG 4.47Å
843	I	96	Very high	95.9	Very high	34 Å²	34	18.8 Å²	18.8	17%	0.174	10%	0.097	C	C	.	.	H	α-helix	trans	-69.3	-45.2	-177.8	-62.3	-65.2	0	0	0	112	A607 F619 Y809 L812 L839 V840	A607-I843 HydrophobicContact CB-CD1 3.49Å; A607-I843 VanDerWaalsContact CB-CD1 3.49Å; F619-I843 HydrophobicContact CZ-CG2 4.29Å; Y809-I843 HydrophobicContact CE1-CB 4.45Å; Y809-I843 HydrophobicContact CE1-CG2 4.27Å; L812-I843 HydrophobicContact CD1-CD1 4.02Å; L812-I843 HydrophobicContact CD1-CG1 3.93Å; L839-I843 HydrophobicContact CD1-CG1 4.17Å; L839-I843 VanDerWaalsContact O-CG1 3.3Å; L839-I843 WeakPolarHBondContact O-CG1 3.4Å; L839-I843 PolarHBondContact O-N 3.01Å; V840-I843 PolarHBondContact O-N 2.85Å
844	T	96.4	Very high	95.2	Very high	19 Å²	19	22.9 Å²	22.9	12%	0.117	11%	0.112	C	C	.	.	H	α-helix	trans	-92.7	-20.6	-170.2	63.8	0	0	0	0	113.7	D766 Y809 V840 K846	D766-T844 HydrophobicContact CB-CG2 4.32Å; D766-T844 WeakPolarHBondContact O-CG2 3.27Å; Y809-T844 WeakPolarHBondContact OH-CG2 3.37Å; V840-T844 HydrophobicContact CG1-CG2 4.11Å; V840-T844 WeakPolarHBondContact O-CB 3.31Å; V840-T844 VanDerWaalsContact O-CG2 3.28Å; V840-T844 WeakPolarHBondContact O-CG2 3.3Å; V840-T844 PolarHBondContact O-N 3.37Å; V840-T844 PolarHBondContact O-OG1 2.95Å; T844-K846 PolarHBondContact O-N 2.85Å; T844-K846 PolarHBondContact OG1-N 3.37Å; T844-K846 VanDerWaalsContact OG1-N 3.13Å
845	R	95.8	Very high	94.1	Very high	71 Å²	71	25 Å²	25	27%	0.268	12%	0.12	S	C	.	.			trans	54.3	31.2	-167.6	-58.5	-52.1	-46.6	150.8	10.9	113.3	S841 H842 Y889 P891 L893	S841-R845 VanDerWaalsContact O-CA 3.24Å; S841-R845 WeakPolarHBondContact O-CA 3.48Å; S841-R845 PolarHBondContact O-N 2.88Å; S841-R845 PolarHBondContact O-NH1 3.44Å; H842-R845 WeakPolarHBondContact O-CD 3.38Å; R845-Y889 PolarHBondContact NH1-OH 2.95Å; R845-P891 PolarHBondContact NH1-O 3.25Å; R845-P891 PolarHBondContact NH2-O 3.22Å; R845-L893 WeakPolarHBondContact O-CD1 3.28Å
846	K	97.3	Very high	93	Very high	91 Å²	91	27.6 Å²	27.6	40%	0.396	14%	0.136	S	C	.	.			trans	-125	147.3	176.8	-64.1	173.7	-172.2	173.6	0	111.1	D766 R767 T844	D766-K846 WeakPolarHBondContact OD2-CD 3.48Å; D766-K846 IonicContact OD2-NZ 3.61Å; D766-K846 PolarHBondContact OD2-NZ 3.47Å; R767-K846 HydrophobicContact CG-CB 4.2Å; R767-K846 HydrophobicContact CG-CD 4.44Å; T844-K846 PolarHBondContact O-N 2.85Å; T844-K846 PolarHBondContact OG1-N 3.37Å; T844-K846 VanDerWaalsContact OG1-N 3.13Å
847	P	97.7	Very high	91.9	Very high	28 Å²	28	29.8 Å²	29.8	18%	0.182	15%	0.146	C	C	.	.			trans	-72.1	160	171	32.2	-35.9	0	0	0	111.3	R767 L893 T895	R767-P847 VanDerWaalsContact CD-O 3.22Å; R767-P847 WeakPolarHBondContact CD-O 3.35Å; P847-L893 HydrophobicContact CB-CB 4.08Å; P847-L893 WeakPolarHBondContact CB-O 3.11Å; P847-T895 HydrophobicContact CB-CG2 3.8Å; P847-T895 HydrophobicContact CG-CG2 4.23Å
848	P	97.5	Very high	90.4	Very high	6 Å²	6	39.5 Å²	39.5	4%	0.039	18%	0.183	C	C	.	.			trans	-68.6	170	174.8	32	-37.2	0	0	0	112	I768 L795 V798	I768-P848 HydrophobicContact CB-CB 4.27Å; L795-P848 HydrophobicContact CD1-CG 3.97Å; V798-P848 HydrophobicContact CB-CB 4.06Å; V798-P848 HydrophobicContact CB-CG 4.43Å; V798-P848 HydrophobicContact CG2-CB 3.76Å; V798-P848 HydrophobicContact CG2-CG 3.98Å
849	I	97.6	Very high	88.9	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.015	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.5	176	-53.5	-179	0	0	0	110.1	V760 A764 R767 I768 V769 G770 F897 V899	V760-I849 HydrophobicContact CG1-CD1 4.46Å; V760-I849 HydrophobicContact CG1-CG2 4.06Å; A764-I849 HydrophobicContact CB-CD1 3.36Å; R767-I849 HydrophobicContact CB-CG1 4.47Å; I768-I849 PolarHBondContact O-N 3.44Å; V769-I849 WeakPolarHBondContact CA-O 3.47Å; V769-I849 HydrophobicContact CG1-CB 4.48Å; V769-I849 HydrophobicContact CG2-CB 4.1Å; V769-I849 HydrophobicContact CG2-CD1 4.12Å; V769-I849 HydrophobicContact CG2-CG1 4.41Å; G770-I849 PolarHBondContact N-O 3.39Å; G770-I849 VanDerWaalsContact N-O 3.09Å; I849-F897 HydrophobicContact CG2-CD1 4.24Å; I849-F897 HydrophobicContact CG2-CE1 4.26Å; I849-V899 HydrophobicContact CG2-CB 4.41Å; I849-V899 HydrophobicContact CG2-CG2 3.53Å
850	K	95.1	Very high	87.1	Confident	3 Å²	3	46.7 Å²	46.7	1%	0.013	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	133	169.7	-177.9	-175.8	174.4	71.7	0	110.5	G770 F771 L795 T852 R854 W855 R898 V899	G770-K850 WeakPolarHBondContact O-CA 3.28Å; F771-K850 PolarHBondContact O-NZ 2.69Å; L795-K850 HydrophobicContact CD1-CB 4.46Å; L795-K850 HydrophobicContact CD2-CB 3.57Å; L795-K850 HydrophobicContact CD2-CD 3.74Å; L795-K850 HydrophobicContact CD2-CG 4.25Å; K850-T852 WeakPolarHBondContact CE-O 3.21Å; K850-R854 PolarHBondContact NZ-O 3.33Å; K850-W855 HydrophobicContact CD-CH2 4.43Å; K850-W855 HydrophobicContact CD-CZ2 4.33Å; K850-R898 HydrophobicContact CD-CG 4.34Å; K850-R898 HydrophobicContact CG-CG 4.27Å; K850-R898 WeakPolarHBondContact O-CA 2.99Å; K850-V899 PolarHBondContact O-N 3.2Å
851	V	93.2	Very high	85.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	146.5	169.2	-67.5	0	0	0	0	111	F756 V760 V769 G770 F771 V899	F756-V851 HydrophobicContact CD1-CB 4.15Å; F756-V851 HydrophobicContact CD1-CG1 4.37Å; F756-V851 HydrophobicContact CE1-CB 3.84Å; F756-V851 HydrophobicContact CE1-CG1 3.92Å; V760-V851 HydrophobicContact CB-CG1 4.07Å; V760-V851 HydrophobicContact CG1-CG1 3.98Å; V760-V851 HydrophobicContact CG2-CG1 4.01Å; V769-V851 HydrophobicContact CG1-CG1 3.77Å; G770-V851 VanDerWaalsContact O-CG2 3.28Å; G770-V851 WeakPolarHBondContact O-CG2 3.47Å; G770-V851 PolarHBondContact O-N 3.5Å; F771-V851 HydrophobicContact CD1-CG2 3.58Å; F771-V851 HydrophobicContact CE1-CG2 3.62Å; F771-V851 HydrophobicContact CG-CG2 4.06Å; F771-V851 HydrophobicContact CZ-CG2 4.12Å; V851-V899 HydrophobicContact CG1-CB 4.41Å
852	T	86.1	Confident	83.6	Confident	1 Å²	1	50 Å²	50	1%	0.006	26%	0.263	C	S	.	.	S	Bend	trans	59.1	175.9	173.4	91.8	0	0	0	0	115.4	F756 F771 K850 R854 R898 V899 I919	F756-T852 HydrophobicContact CD1-CG2 3.95Å; F756-T852 HydrophobicContact CE1-CG2 4.17Å; F771-T852 HydrophobicContact CD1-CG2 4.03Å; F771-T852 HydrophobicContact CE1-CG2 4Å; K850-T852 WeakPolarHBondContact CE-O 3.21Å; T852-R854 VanDerWaalsContact C-N 3.3Å; T852-R854 PolarHBondContact O-N 3.15Å; T852-R854 PolarHBondContact OG1-N 3.11Å; T852-R898 WeakPolarHBondContact O-CD 3.49Å; T852-V899 PolarHBondContact N-O 3.21Å; T852-I919 HydrophobicContact CG2-CG2 3.61Å
853	S	81.8	Confident	81.6	Confident	72 Å²	72	54.1 Å²	54.1	50%	0.503	29%	0.294	S	S	.	.	S	Bend	trans	-82.1	2	178.8	63.2	0	0	0	0	114.9	W855	S853-W855 PolarHBondContact O-N 3.32Å
854	R	81.2	Confident	80	Confident	91 Å²	91	60.2 Å²	60.2	34%	0.343	32%	0.321	S	S	.	.			trans	-69.8	126.6	-178.9	-68.6	-69.3	-173.7	173.1	5.4	110.7	E753 F771 K850 T852	E753-R854 IonicContact OE1-CZ 2.76Å; E753-R854 IonicContact OE1-NE 3.9Å; E753-R854 PolarHBondContact OE1-NE 3.23Å; E753-R854 IonicContact OE1-NH2 2.83Å; E753-R854 PolarHBondContact OE1-NH2 2.98Å; E753-R854 IonicContact OE2-NH2 3.26Å; F771-R854 CarbonylContact C-O 3.06Å; F771-R854 HydrophobicContact CB-CB 4.02Å; K850-R854 PolarHBondContact NZ-O 3.33Å; T852-R854 VanDerWaalsContact C-N 3.3Å; T852-R854 PolarHBondContact O-N 3.15Å; T852-R854 PolarHBondContact OG1-N 3.11Å
855	W	75.6	Confident	78.5	Confident	44 Å²	44	60 Å²	60	17%	0.167	32%	0.321	C	S	.	.			trans	-117.7	-26.7	178.6	-76.7	93.7	0	0	0	113.4	P772 G773 R774 Y791 S792 K850 S853	P772-W855 WeakPolarHBondContact CB-O 3.39Å; G773-W855 VanDerWaalsContact O-CE3 3.27Å; G773-W855 WeakPolarHBondContact O-CZ3 3.35Å; R774-W855 PolarHBondContact NH1-O 3.4Å; R774-W855 PolarHBondContact NH2-O 2.9Å; R774-W855 VanDerWaalsContact NH2-O 3.15Å; Y791-W855 HydrophobicContact CD1-CB 4Å; Y791-W855 AromaticContact CD1-CD1 3.77Å; Y791-W855 AromaticContact CD1-CD2 3.83Å; Y791-W855 HydrophobicContact CD1-CD2 3.83Å; Y791-W855 HydrophobicContact CD1-CE3 4.41Å; Y791-W855 AromaticContact CD1-CG 3.62Å; Y791-W855 HydrophobicContact CD1-CG 3.62Å; Y791-W855 HydrophobicContact CE1-CB 3.44Å; Y791-W855 VanDerWaalsContact CE1-CB 3.44Å; Y791-W855 AromaticContact CE1-CD1 3.74Å; Y791-W855 HydrophobicContact CE1-CD2 4.22Å; Y791-W855 AromaticContact CE1-CG 3.53Å; Y791-W855 HydrophobicContact CE1-CG 3.53Å; S792-W855 VanDerWaalsContact O-CH2 3.3Å; S792-W855 WeakPolarHBondContact O-CH2 3.4Å; K850-W855 HydrophobicContact CD-CH2 4.43Å; K850-W855 HydrophobicContact CD-CZ2 4.33Å; S853-W855 PolarHBondContact O-N 3.32Å
856	T	74.8	Confident	77.1	Confident	56 Å²	56	61.6 Å²	61.6	34%	0.344	34%	0.335	S	S	.	.			trans	-145.9	147.4	178.7	45	0	0	0	0	108.6	R774	R774-T856 VanDerWaalsContact NH2-CG2 3.31Å
857	F	76.3	Confident	75.7	Confident	47 Å²	47	60.5 Å²	60.5	21%	0.206	34%	0.339	C	S	.	.			trans	-99.9	135.3	162.9	-61.1	-77.2	0	0	0	107.3	A747 H748 L749 F771 P772 A802	A747-F857 HydrophobicContact CB-CD2 4.19Å; A747-F857 HydrophobicContact CB-CG 4.17Å; H748-F857 WeakPolarHBondContact O-CE1 3.38Å; L749-F857 HydrophobicContact CD2-CE1 3.67Å; L749-F857 HydrophobicContact CD2-CZ 3.59Å; L749-F857 HydrophobicContact CG-CE1 4.02Å; L749-F857 HydrophobicContact CG-CZ 4Å; F771-F857 HydrophobicContact CB-CE2 4.34Å; F771-F857 HydrophobicContact CB-CZ 3.98Å; F771-F857 HydrophobicContact CG-CZ 4.39Å; P772-F857 HydrophobicContact CG-CD2 3.88Å; P772-F857 HydrophobicContact CG-CE2 3.42Å; P772-F857 VanDerWaalsContact CG-CE2 3.42Å; P772-F857 HydrophobicContact CG-CZ 4.47Å; A802-F857 HydrophobicContact CB-CD2 4.26Å; A802-F857 HydrophobicContact CB-CE2 3.36Å; A802-F857 HydrophobicContact CB-CZ 3.83Å
858	R	66.3	Low	74.3	Confident	204 Å²	204	65.9 Å²	65.9	77%	0.77	36%	0.361	S	S	*	.			trans	-106.7	134.3	172.6	-66	-173.2	-178.6	-170.7	-0.7	107.3	P860	R858-P860 WeakPolarHBondContact O-CD 3.47Å
859	C	66.8	Low	73.1	Confident	29 Å²	29	70.1 Å²	70.1	20%	0.196	38%	0.383	C	S	.	.			trans	-103.5	102.7	170.3	-177.2	0	0	0	0	109.4	D746 G861 C862	D746-C859 HydrophobicContact CB-CB 3.85Å; C859-G861 VanDerWaalsContact C-N 3.26Å; C859-G861 PolarHBondContact O-N 3.22Å; C859-C862 HydrophobicContact CB-CB 3.71Å; C859-C862 WeakPolarHBondContact CB-SG 3.5Å; C859-C862 WeakPolarHBondContact SG-CB 3.44Å; C859-C862 PolarHBondContact SG-N 3.34Å; C859-C862 CovalentContact SG-SG 2.04Å; C859-C862 PolarHBondContact SG-SG 3.26Å
860	P	60.5	Low	71.8	Confident	126 Å²	126	77.6 Å²	77.6	82%	0.818	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.7	179.9	-18.5	32.6	0	0	0	113.8	R858	R858-P860 WeakPolarHBondContact O-CD 3.47Å
861	G	60.1	Low	71.1	Confident	60 Å²	60	79.2 Å²	79.2	62%	0.619	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	3.8	-175.3	0	0	0	0	0	115.2	C859 P863	C859-G861 VanDerWaalsContact C-N 3.26Å; C859-G861 PolarHBondContact O-N 3.22Å; G861-P863 WeakPolarHBondContact O-CD 3.48Å
862	C	63.1	Low	70.6	Confident	17 Å²	17	80 Å²	80	12%	0.115	44%	0.438	C	S	.	.			trans	-87.2	117.2	-178.4	-67	0	0	0	0	109.9	C859 Q864	C859-C862 HydrophobicContact CB-CB 3.71Å; C859-C862 WeakPolarHBondContact CB-SG 3.5Å; C859-C862 WeakPolarHBondContact SG-CB 3.44Å; C859-C862 PolarHBondContact SG-N 3.34Å; C859-C862 CovalentContact SG-SG 2.04Å; C859-C862 PolarHBondContact SG-SG 3.26Å; C862-Q864 VanDerWaalsContact C-N 3.29Å; C862-Q864 PolarHBondContact O-N 3.25Å
863	P	55	Low	70.6	Confident	135 Å²	135	84 Å²	84	88%	0.877	46%	0.456	S	S	*	.	S	Bend	trans	-68.3	-27.6	-177.4	24.7	-32.1	0	0	0	113.2	G861	G861-P863 WeakPolarHBondContact O-CD 3.48Å
864	Q	61.1	Low	70.9	Confident	161 Å²	161	85.6 Å²	85.6	75%	0.752	46%	0.455	S	S	*	.			trans	-148	135.5	175.7	-164.1	170.5	27.2	0	0	109.1	R672 C862	R672-Q864 PolarHBondContact NH2-O 3.17Å; C862-Q864 VanDerWaalsContact C-N 3.29Å; C862-Q864 PolarHBondContact O-N 3.25Å
865	A	65.1	Low	71.5	Confident	14 Å²	14	83.1 Å²	83.1	12%	0.116	45%	0.447	C	S	.	.			trans	-129.2	145.8	172.8	0	0	0	0	0	109.4	S867 H868	A865-S867 PolarHBondContact O-N 3.45Å; A865-S867 VanDerWaalsContact O-N 3.12Å; A865-H868 VanDerWaalsContact CB-CD2 3.44Å; A865-H868 WeakPolarHBondContact CB-CD2 3.19Å; A865-H868 WeakPolarHBondContact O-CB 3.34Å; A865-H868 PolarHBondContact O-N 3.13Å
866	L	66.6	Low	72.4	Confident	106 Å²	106	81.7 Å²	81.7	56%	0.555	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-56.3	-31.5	-177.5	-70.4	166.5	0	0	0	112.6	H868 D869 H872	L866-H868 PolarHBondContact O-N 3.11Å; L866-D869 PolarHBondContact O-N 3.28Å; L866-H872 PolarHBondContact O-ND1 3.05Å
867	S	68	Low	73.4	Confident	68 Å²	68	81 Å²	81	48%	0.476	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-74	-9.9	177.4	62.6	0	0	0	0	114.8	A865	A865-S867 PolarHBondContact O-N 3.45Å; A865-S867 VanDerWaalsContact O-N 3.12Å
868	H	69.3	Low	74.3	Confident	141 Å²	141	83 Å²	83	65%	0.653	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-85	-9.8	176	-70.1	-59.7	0	0	0	112.9	A865 L866	A865-H868 VanDerWaalsContact CB-CD2 3.44Å; A865-H868 WeakPolarHBondContact CB-CD2 3.19Å; A865-H868 WeakPolarHBondContact O-CB 3.34Å; A865-H868 PolarHBondContact O-N 3.13Å; L866-H868 PolarHBondContact O-N 3.11Å
869	D	70.9	Confident	75.7	Confident	94 Å²	94	73.3 Å²	73.3	50%	0.503	41%	0.407	S	S	.	.	S	Bend	trans	-73.7	134	172.8	-167.1	-14.8	0	0	0	110.4	L866 S871 H872	L866-D869 PolarHBondContact O-N 3.28Å; D869-S871 PolarHBondContact O-N 2.92Å; D869-S871 PolarHBondContact OD1-N 2.88Å; D869-S871 VanDerWaalsContact OD1-N 3.1Å; D869-S871 PolarHBondContact OD1-OG 2.98Å; D869-S871 PolarHBondContact OD2-OG 3.47Å; D869-H872 WeakPolarHBondContact O-CB 3.5Å; D869-H872 PolarHBondContact O-N 3.46Å; D869-H872 VanDerWaalsContact O-N 3.13Å
870	D	71	Confident	77.2	Confident	161 Å²	161	71.9 Å²	71.9	86%	0.861	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.5	177.4	-69.9	-30.2	0	0	0	111.6	H872	D870-H872 VanDerWaalsContact C-N 3.33Å
871	S	80.9	Confident	78.9	Confident	36 Å²	36	68.3 Å²	68.3	25%	0.252	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-23.3	177.5	71.6	0	0	0	0	113.6	D869 F873 H874 E875	D869-S871 PolarHBondContact O-N 2.92Å; D869-S871 PolarHBondContact OD1-N 2.88Å; D869-S871 VanDerWaalsContact OD1-N 3.1Å; D869-S871 PolarHBondContact OD1-OG 2.98Å; D869-S871 PolarHBondContact OD2-OG 3.47Å; S871-F873 VanDerWaalsContact C-N 3.33Å; S871-F873 PolarHBondContact O-N 2.96Å; S871-F873 VanDerWaalsContact O-N 3.16Å; S871-H874 WeakPolarHBondContact O-CA 3.28Å; S871-H874 WeakPolarHBondContact O-CB 3.33Å; S871-H874 PolarHBondContact O-N 2.93Å; S871-E875 PolarHBondContact O-N 3.21Å; S871-E875 PolarHBondContact OG-OE1 2.88Å
872	H	81.7	Confident	80.5	Confident	16 Å²	16	67.9 Å²	67.9	7%	0.074	35%	0.353	C	S	.	.	H	α-helix	trans	-54.8	-43.9	-165.5	179.2	81.7	0	0	0	113.6	N830 L866 D869 D870 R876	N830-H872 PolarHBondContact ND2-ND1 3.24Å; N830-H872 VanDerWaalsContact ND2-ND1 3.17Å; L866-H872 PolarHBondContact O-ND1 3.05Å; D869-H872 WeakPolarHBondContact O-CB 3.5Å; D869-H872 PolarHBondContact O-N 3.46Å; D869-H872 VanDerWaalsContact O-N 3.13Å; D870-H872 VanDerWaalsContact C-N 3.33Å; H872-R876 PolarHBondContact CE1-NE 3.24Å; H872-R876 PolarHBondContact NE2-NE 3.31Å; H872-R876 WeakPolarHBondContact O-CG 3.38Å; H872-R876 PolarHBondContact O-N 3.22Å
873	F	85.8	Confident	82.1	Confident	86 Å²	86	67.1 Å²	67.1	38%	0.377	35%	0.347	S	S	.	.	H	α-helix	trans	-70.6	-39.5	178.9	-72.8	-80.8	0	0	0	112	Y787 S789 S871 R876 H877	Y787-F873 AromaticContact CD1-CD1 3.92Å; Y787-F873 HydrophobicContact CD1-CD1 3.92Å; Y787-F873 HydrophobicContact CD1-CE1 4.25Å; Y787-F873 HydrophobicContact CE1-CD1 4.04Å; Y787-F873 AromaticContact CE1-CE1 3.93Å; Y787-F873 HydrophobicContact CE1-CE1 3.93Å; S789-F873 VanDerWaalsContact OG-CE1 3.29Å; S789-F873 WeakPolarHBondContact OG-CE1 3.09Å; S871-F873 VanDerWaalsContact C-N 3.33Å; S871-F873 PolarHBondContact O-N 2.96Å; S871-F873 VanDerWaalsContact O-N 3.16Å; F873-R876 PolarHBondContact O-N 3.25Å; F873-H877 PolarHBondContact O-CE1 3.26Å; F873-H877 VanDerWaalsContact O-CE1 3.27Å; F873-H877 VanDerWaalsContact O-CG 3.24Å; F873-H877 PolarHBondContact O-N 3.26Å; F873-H877 PolarHBondContact O-ND1 3.19Å
874	H	89.3	Confident	84	Confident	105 Å²	105	61.8 Å²	61.8	49%	0.486	31%	0.312	S	S	.	.	H	α-helix	trans	-66.7	-41	-179.6	-175.3	63.1	0	0	0	111.6	S871 H877 K878	S871-H874 WeakPolarHBondContact O-CA 3.28Å; S871-H874 WeakPolarHBondContact O-CB 3.33Å; S871-H874 PolarHBondContact O-N 2.93Å; H874-H877 WeakPolarHBondContact O-CB 3.3Å; H874-H877 PolarHBondContact O-N 2.9Å; H874-K878 PolarHBondContact CD2-NZ 3.23Å; H874-K878 WeakPolarHBondContact NE2-CE 2.94Å; H874-K878 PolarHBondContact NE2-NZ 2.86Å; H874-K878 PolarHBondContact O-N 2.94Å
875	E	92.5	Very high	85.5	Confident	39 Å²	39	58.7 Å²	58.7	18%	0.182	30%	0.296	C	S	.	.	H	α-helix	trans	-59.7	-46.3	171.9	-68.6	174.2	168.9	0	0	111.5	Y828 N830 S871 H877 K878 C879	Y828-E875 HydrophobicContact CD1-CG 4.38Å; Y828-E875 HydrophobicContact CG-CG 4.49Å; N830-E875 PolarHBondContact ND2-OE2 2.79Å; N830-E875 VanDerWaalsContact ND2-OE2 3.14Å; S871-E875 PolarHBondContact O-N 3.21Å; S871-E875 PolarHBondContact OG-OE1 2.88Å; E875-H877 VanDerWaalsContact C-N 3.29Å; E875-H877 PolarHBondContact O-N 3.5Å; E875-K878 WeakPolarHBondContact O-CA 3.32Å; E875-K878 WeakPolarHBondContact O-CB 3.38Å; E875-K878 PolarHBondContact O-N 3.44Å; E875-C879 PolarHBondContact O-N 2.67Å; E875-C879 PolarHBondContact O-SG 3.23Å
876	R	95.3	Very high	86.8	Confident	15 Å²	15	58.3 Å²	58.3	6%	0.057	29%	0.293	C	S	.	.	H	α-helix	trans	-61.5	-35.1	176.2	-74.3	-174.1	170.3	-129	0.1	113	Y787 N830 D833 I834 H872 F873 C879 I880	Y787-R876 HydrophobicContact CD1-CB 4.01Å; Y787-R876 HydrophobicContact CG-CB 3.9Å; Y787-R876 PolarHBondContact OH-NH1 3.31Å; N830-R876 PolarHBondContact OD1-NE 3.47Å; N830-R876 PolarHBondContact OD1-NH2 3.42Å; D833-R876 IonicContact OD1-CZ 3.37Å; D833-R876 IonicContact OD1-NH1 3.75Å; D833-R876 PolarHBondContact OD1-NH1 3.18Å; D833-R876 IonicContact OD1-NH2 3.27Å; D833-R876 PolarHBondContact OD1-NH2 3.33Å; D833-R876 IonicContact OD2-CZ 2.65Å; D833-R876 VanDerWaalsContact OD2-CZ 3.28Å; D833-R876 IonicContact OD2-NH1 3.96Å; D833-R876 PolarHBondContact OD2-NH1 2.78Å; D833-R876 IonicContact OD2-NH2 3.35Å; D833-R876 PolarHBondContact OD2-NH2 2.99Å; I834-R876 HydrophobicContact CD1-CB 3.96Å; I834-R876 HydrophobicContact CD1-CG 3.88Å; H872-R876 PolarHBondContact CE1-NE 3.24Å; H872-R876 PolarHBondContact NE2-NE 3.31Å; H872-R876 WeakPolarHBondContact O-CG 3.38Å; H872-R876 PolarHBondContact O-N 3.22Å; F873-R876 PolarHBondContact O-N 3.25Å; R876-C879 PolarHBondContact O-N 2.04Å; R876-I880 WeakPolarHBondContact O-CG1 3.28Å; R876-I880 PolarHBondContact O-N 3.13Å; R876-I880 VanDerWaalsContact O-N 3.13Å
877	H	94.9	Very high	88	Confident	42 Å²	42	54.2 Å²	54.2	19%	0.194	27%	0.27	C	S	.	.	H	α-helix	trans	-62.7	-44.6	171.7	-59.5	-1.5	0	0	0	111	L786 Y787 F873 H874 E875 I880 N881	L786-H877 HydrophobicContact CD2-CB 4.44Å; Y787-H877 WeakPolarHBondContact CB-ND1 3.2Å; Y787-H877 PolarHBondContact N-CE1 3.35Å; Y787-H877 PolarHBondContact N-ND1 3.02Å; Y787-H877 PolarHBondContact O-CE1 3.42Å; F873-H877 PolarHBondContact O-CE1 3.26Å; F873-H877 VanDerWaalsContact O-CE1 3.27Å; F873-H877 VanDerWaalsContact O-CG 3.24Å; F873-H877 PolarHBondContact O-N 3.26Å; F873-H877 PolarHBondContact O-ND1 3.19Å; H874-H877 WeakPolarHBondContact O-CB 3.3Å; H874-H877 PolarHBondContact O-N 2.9Å; E875-H877 VanDerWaalsContact C-N 3.29Å; E875-H877 PolarHBondContact O-N 3.5Å; H877-I880 PolarHBondContact O-N 3.39Å; H877-N881 PolarHBondContact O-N 3Å; H877-N881 PolarHBondContact O-ND2 3.45Å
878	K	95.6	Very high	89.2	Confident	88 Å²	88	51.2 Å²	51.2	38%	0.383	25%	0.25	S	S	.	.	H	α-helix	trans	-60.5	-46.6	176.3	-70.1	174.3	176.9	167.1	0	111.7	M824 Y828 H874 E875 I880 N881 F882	M824-K878 HydrophobicContact CE-CB 4.23Å; Y828-K878 HydrophobicContact CE2-CB 4.47Å; H874-K878 PolarHBondContact CD2-NZ 3.23Å; H874-K878 WeakPolarHBondContact NE2-CE 2.94Å; H874-K878 PolarHBondContact NE2-NZ 2.86Å; H874-K878 PolarHBondContact O-N 2.94Å; E875-K878 WeakPolarHBondContact O-CA 3.32Å; E875-K878 WeakPolarHBondContact O-CB 3.38Å; E875-K878 PolarHBondContact O-N 3.44Å; K878-I880 PolarHBondContact O-N 3.4Å; K878-N881 PolarHBondContact O-N 3.44Å; K878-F882 WeakPolarHBondContact O-CB 3.3Å; K878-F882 PolarHBondContact O-N 3.33Å
879	C	96.9	Very high	90.4	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-55	-50.4	177.2	-65.5	0	0	0	0	112.2	M824 C831 E875 R876 N881 F882 F883	M824-C879 HydrophobicContact CE-CB 4.41Å; C831-C879 HydrophobicContact CB-CB 3.45Å; C831-C879 VanDerWaalsContact CB-CB 3.45Å; C831-C879 WeakPolarHBondContact CB-SG 3.5Å; C831-C879 WeakPolarHBondContact SG-CB 3.27Å; C831-C879 CovalentContact SG-SG 2.03Å; C831-C879 PolarHBondContact SG-SG 2.96Å; E875-C879 PolarHBondContact O-N 2.67Å; E875-C879 PolarHBondContact O-SG 3.23Å; R876-C879 PolarHBondContact O-N 2.04Å; C879-N881 VanDerWaalsContact C-N 3.34Å; C879-N881 PolarHBondContact O-N 2.77Å; C879-F882 PolarHBondContact O-N 3.02Å; C879-F883 HydrophobicContact CB-CE1 4.46Å; C879-F883 HydrophobicContact CB-CE2 4.02Å; C879-F883 HydrophobicContact CB-CZ 3.93Å; C879-F883 WeakPolarHBondContact O-CB 3.13Å; C879-F883 WeakPolarHBondContact O-CD1 3.12Å; C879-F883 WeakPolarHBondContact O-CD2 3.15Å; C879-F883 WeakPolarHBondContact O-CG 3.44Å; C879-F883 PolarHBondContact O-N 3.26Å
880	I	97.5	Very high	91.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-57.9	-47.9	179.5	-69	179.5	0	0	0	110.9	H776 W785 Y787 M797 I834 F838 R876 H877 K878 F882 F883 V884 M890	H776-I880 HydrophobicContact CB-CD1 4.27Å; W785-I880 HydrophobicContact CB-CG2 3.48Å; W785-I880 VanDerWaalsContact CB-CG2 3.48Å; W785-I880 HydrophobicContact CG-CG2 4.19Å; Y787-I880 HydrophobicContact CD2-CD1 4.25Å; Y787-I880 HydrophobicContact CG-CD1 4.45Å; M797-I880 HydrophobicContact CE-CD1 4.36Å; I834-I880 HydrophobicContact CD1-CD1 4.46Å; I834-I880 HydrophobicContact CD1-CG1 4.17Å; I834-I880 HydrophobicContact CG2-CG1 3.88Å; F838-I880 HydrophobicContact CE2-CG1 4.46Å; F838-I880 HydrophobicContact CZ-CG2 4.09Å; R876-I880 WeakPolarHBondContact O-CG1 3.28Å; R876-I880 PolarHBondContact O-N 3.13Å; R876-I880 VanDerWaalsContact O-N 3.13Å; H877-I880 PolarHBondContact O-N 3.39Å; K878-I880 PolarHBondContact O-N 3.4Å; I880-F882 PolarHBondContact O-N 3.38Å; I880-F883 PolarHBondContact O-N 2.96Å; I880-V884 HydrophobicContact CG2-CG2 4.41Å; I880-V884 WeakPolarHBondContact O-CB 3.39Å; I880-V884 WeakPolarHBondContact O-CG2 3.32Å; I880-V884 PolarHBondContact O-N 3.11Å; I880-M890 HydrophobicContact CG2-CE 3.63Å
881	N	95.4	Very high	92.8	Very high	50 Å²	50	34.1 Å²	34.1	27%	0.267	16%	0.162	S	C	.	.	H	α-helix	trans	-66.1	-38.2	-178.7	-73	-72	0	0	0	112.5	W785 H877 K878 C879 K885	W785-N881 PolarHBondContact N-OD1 3.09Å; W785-N881 PolarHBondContact O-ND2 3.31Å; H877-N881 PolarHBondContact O-N 3Å; H877-N881 PolarHBondContact O-ND2 3.45Å; K878-N881 PolarHBondContact O-N 3.44Å; C879-N881 VanDerWaalsContact C-N 3.34Å; C879-N881 PolarHBondContact O-N 2.77Å; N881-K885 PolarHBondContact O-N 3.36Å; N881-K885 VanDerWaalsContact O-N 3.08Å
882	F	95.2	Very high	93.6	Very high	52 Å²	52	32.6 Å²	32.6	23%	0.228	15%	0.151	C	C	.	.	H	α-helix	trans	-66.6	-45.9	175	-179.7	-100.5	0	0	0	111.8	M329 A820 M824 K878 C879 I880 V884 K885 V886	M329-F882 HydrophobicContact SD-CE2 4.34Å; A820-F882 HydrophobicContact CB-CE1 4.45Å; A820-F882 HydrophobicContact CB-CZ 4.17Å; M824-F882 HydrophobicContact CB-CD1 4.32Å; M824-F882 HydrophobicContact CB-CE1 4.19Å; M824-F882 HydrophobicContact CE-CB 3.44Å; M824-F882 VanDerWaalsContact CE-CB 3.44Å; M824-F882 HydrophobicContact CE-CD1 4.18Å; M824-F882 HydrophobicContact CE-CG 3.88Å; M824-F882 HydrophobicContact CG-CD1 4.31Å; M824-F882 HydrophobicContact SD-CB 3.47Å; M824-F882 WeakPolarHBondContact SD-CB 3.11Å; M824-F882 HydrophobicContact SD-CD1 3.09Å; M824-F882 WeakPolarHBondContact SD-CD1 3.43Å; M824-F882 HydrophobicContact SD-CD2 4.42Å; M824-F882 HydrophobicContact SD-CE1 3.87Å; M824-F882 HydrophobicContact SD-CG 3.42Å; M824-F882 WeakPolarHBondContact SD-CG 3.42Å; K878-F882 WeakPolarHBondContact O-CB 3.3Å; K878-F882 PolarHBondContact O-N 3.33Å; C879-F882 PolarHBondContact O-N 3.02Å; I880-F882 PolarHBondContact O-N 3.38Å; F882-V884 VanDerWaalsContact C-N 3.31Å; F882-V884 PolarHBondContact O-N 2.85Å; F882-K885 WeakPolarHBondContact O-CA 3.34Å; F882-K885 WeakPolarHBondContact O-CB 3.22Å; F882-K885 PolarHBondContact O-N 3.33Å; F882-V886 HydrophobicContact CD1-CG2 4.01Å; F882-V886 HydrophobicContact CE1-CG2 3.63Å; F882-V886 HydrophobicContact CE2-CG2 4.26Å; F882-V886 HydrophobicContact CZ-CG2 3.77Å; F882-V886 WeakPolarHBondContact O-CG2 3.08Å; F882-V886 PolarHBondContact O-N 3.22Å
883	F	95.9	Very high	94.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61	-41.7	177.6	-59.8	-13.6	0	0	0	111.1	I821 M824 V825 C831 I834 A835 F838 C879 I880 K885 V886 Y887	I821-F883 HydrophobicContact CB-CD1 4.37Å; I821-F883 HydrophobicContact CB-CE1 4.27Å; I821-F883 HydrophobicContact CD1-CD1 4.4Å; I821-F883 HydrophobicContact CG1-CD1 3.96Å; I821-F883 HydrophobicContact CG1-CE1 4.35Å; I821-F883 HydrophobicContact CG2-CD1 3.89Å; I821-F883 HydrophobicContact CG2-CE1 3.59Å; I821-F883 HydrophobicContact CG2-CZ 3.96Å; M824-F883 HydrophobicContact SD-CD1 4.29Å; M824-F883 HydrophobicContact SD-CE1 3.73Å; V825-F883 HydrophobicContact CG2-CZ 4.31Å; C831-F883 HydrophobicContact CB-CE2 4.24Å; C831-F883 HydrophobicContact CB-CZ 4.11Å; I834-F883 HydrophobicContact CB-CE2 4.17Å; I834-F883 HydrophobicContact CG2-CD2 3.87Å; I834-F883 HydrophobicContact CG2-CE2 3.86Å; A835-F883 HydrophobicContact CB-CE2 3.84Å; A835-F883 HydrophobicContact CB-CZ 4.06Å; F838-F883 HydrophobicContact CD1-CB 3.64Å; F838-F883 HydrophobicContact CD1-CD2 4.49Å; F838-F883 HydrophobicContact CD2-CD2 4.26Å; F838-F883 HydrophobicContact CE1-CB 3.49Å; F838-F883 VanDerWaalsContact CE1-CB 3.49Å; F838-F883 HydrophobicContact CE2-CD2 4.38Å; F838-F883 HydrophobicContact CG-CB 4.29Å; F838-F883 HydrophobicContact CG-CD2 4.31Å; F838-F883 HydrophobicContact CZ-CB 4.01Å; C879-F883 HydrophobicContact CB-CE1 4.46Å; C879-F883 HydrophobicContact CB-CE2 4.02Å; C879-F883 HydrophobicContact CB-CZ 3.93Å; C879-F883 WeakPolarHBondContact O-CB 3.13Å; C879-F883 WeakPolarHBondContact O-CD1 3.12Å; C879-F883 WeakPolarHBondContact O-CD2 3.15Å; C879-F883 WeakPolarHBondContact O-CG 3.44Å; C879-F883 PolarHBondContact O-N 3.26Å; I880-F883 PolarHBondContact O-N 2.96Å; F883-K885 PolarHBondContact O-N 3.33Å; F883-V886 PolarHBondContact O-N 2.96Å; F883-Y887 VanDerWaalsContact O-CD2 3.31Å; F883-Y887 WeakPolarHBondContact O-CD2 3.48Å; F883-Y887 PolarHBondContact O-N 2.6Å
884	V	95.1	Very high	94.9	Very high	23 Å²	23	34.6 Å²	34.6	14%	0.139	16%	0.16	C	C	.	.	H	α-helix	trans	-57.5	-40.2	173.4	168.6	0	0	0	0	111.4	F838 I880 F882 G888 Y889 M890	F838-V884 HydrophobicContact CE1-CG2 3.96Å; F838-V884 HydrophobicContact CZ-CG2 4.02Å; I880-V884 HydrophobicContact CG2-CG2 4.41Å; I880-V884 WeakPolarHBondContact O-CB 3.39Å; I880-V884 WeakPolarHBondContact O-CG2 3.32Å; I880-V884 PolarHBondContact O-N 3.11Å; F882-V884 VanDerWaalsContact C-N 3.31Å; F882-V884 PolarHBondContact O-N 2.85Å; V884-G888 CarbonylContact O-C 3.48Å; V884-G888 WeakPolarHBondContact O-CA 3.38Å; V884-G888 PolarHBondContact O-N 3.18Å; V884-Y889 PolarHBondContact O-N 3.33Å; V884-Y889 VanDerWaalsContact O-N 3.1Å; V884-M890 HydrophobicContact CG2-CB 4.28Å; V884-M890 HydrophobicContact CG2-CE 3.31Å; V884-M890 HydrophobicContact CG2-SD 3.93Å
885	K	92.8	Very high	95.2	Very high	97 Å²	97	30.6 Å²	30.6	42%	0.422	14%	0.143	S	C	.	.	H	α-helix	trans	-66.7	-45.6	177	-171.7	170	-179.6	-178.9	0	111.7	M329 N881 F882 F883 G888	M329-K885 HydrophobicContact CE-CD 3.81Å; M329-K885 HydrophobicContact SD-CD 3.48Å; M329-K885 WeakPolarHBondContact SD-CD 3.45Å; M329-K885 WeakPolarHBondContact SD-CE 3.23Å; M329-K885 HydrophobicContact SD-CG 4.02Å; N881-K885 PolarHBondContact O-N 3.36Å; N881-K885 VanDerWaalsContact O-N 3.08Å; F882-K885 WeakPolarHBondContact O-CA 3.34Å; F882-K885 WeakPolarHBondContact O-CB 3.22Å; F882-K885 PolarHBondContact O-N 3.33Å; F883-K885 PolarHBondContact O-N 3.33Å; K885-G888 PolarHBondContact O-N 3.2Å
886	V	92.6	Very high	95.3	Very high	6 Å²	6	35.8 Å²	35.8	4%	0.036	17%	0.167	C	C	.	.	H	α-helix	trans	-63.3	-46.3	179	176.4	0	0	0	0	111.8	F328 P818 I821 F882 F883 G888	F328-V886 HydrophobicContact CB-CG1 4.41Å; F328-V886 HydrophobicContact CD1-CG1 4.41Å; F328-V886 HydrophobicContact CG-CG1 4.27Å; P818-V886 HydrophobicContact CB-CG1 3.95Å; P818-V886 HydrophobicContact CG-CG1 3.91Å; I821-V886 HydrophobicContact CD1-CB 4.3Å; I821-V886 HydrophobicContact CD1-CG1 3.93Å; I821-V886 HydrophobicContact CG1-CB 4.32Å; I821-V886 HydrophobicContact CG1-CG1 4.05Å; I821-V886 HydrophobicContact CG1-CG2 4.38Å; F882-V886 HydrophobicContact CD1-CG2 4.01Å; F882-V886 HydrophobicContact CE1-CG2 3.63Å; F882-V886 HydrophobicContact CE2-CG2 4.26Å; F882-V886 HydrophobicContact CZ-CG2 3.77Å; F882-V886 WeakPolarHBondContact O-CG2 3.08Å; F882-V886 PolarHBondContact O-N 3.22Å; F883-V886 PolarHBondContact O-N 2.96Å; V886-G888 PolarHBondContact O-N 2.97Å
887	Y	91.9	Very high	95.2	Very high	19 Å²	19	40.4 Å²	40.4	8%	0.075	19%	0.188	C	C	.	.	H	α-helix	trans	-73	-17.5	175.8	-78.7	-76.1	0	0	0	113.1	I821 F838 H842 F883 Y889 P891	I821-Y887 HydrophobicContact CD1-CD2 4.15Å; I821-Y887 HydrophobicContact CD1-CE2 3.55Å; F838-Y887 HydrophobicContact CB-CE2 3.97Å; F838-Y887 AromaticContact CD1-CD2 3.77Å; F838-Y887 HydrophobicContact CD1-CD2 3.77Å; F838-Y887 AromaticContact CD1-CE2 3.91Å; F838-Y887 HydrophobicContact CD1-CE2 3.91Å; F838-Y887 HydrophobicContact CG-CE2 4.44Å; H842-Y887 HydrophobicContact CB-CD1 4.41Å; H842-Y887 HydrophobicContact CB-CE1 3.94Å; H842-Y887 AromaticContact CD2-CE1 3.95Å; H842-Y887 AromaticContact CE1-CD1 3.71Å; H842-Y887 AromaticContact CG-CD1 3.84Å; H842-Y887 AromaticContact CG-CE1 3.57Å; H842-Y887 AromaticContact ND1-CD1 3.36Å; H842-Y887 WeakPolarHBondContact ND1-CD1 3.5Å; H842-Y887 AromaticContact ND1-CE1 3.62Å; F883-Y887 VanDerWaalsContact O-CD2 3.31Å; F883-Y887 WeakPolarHBondContact O-CD2 3.48Å; F883-Y887 PolarHBondContact O-N 2.6Å; Y887-Y889 WeakPolarHBondContact O-CD1 3.33Å; Y887-Y889 PolarHBondContact O-N 2.79Å; Y887-P891 HydrophobicContact CD1-CG 4.35Å; Y887-P891 HydrophobicContact CD2-CG 4.06Å; Y887-P891 HydrophobicContact CG-CG 3.89Å
888	G	92.3	Very high	95	Very high	6 Å²	6	43.8 Å²	43.8	6%	0.062	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	3.4	-174.9	0	0	0	0	0	115	P333 Q334 V884 K885 V886	P333-G888 CarbonylContact C-O 3.51Å; P333-G888 VanDerWaalsContact CA-O 3.31Å; P333-G888 WeakPolarHBondContact CA-O 3.46Å; Q334-G888 PolarHBondContact N-O 3.05Å; V884-G888 CarbonylContact O-C 3.48Å; V884-G888 WeakPolarHBondContact O-CA 3.38Å; V884-G888 PolarHBondContact O-N 3.18Å; K885-G888 PolarHBondContact O-N 3.2Å; V886-G888 PolarHBondContact O-N 2.97Å
889	Y	93.8	Very high	94.9	Very high	10 Å²	10	41.1 Å²	41.1	4%	0.039	19%	0.19	C	C	.	.	S	Bend	trans	-163	170.8	176.6	76	-73.6	0	0	0	110.9	H842 R845 V884 Y887 P891	H842-Y889 AromaticContact CE1-CE1 3.94Å; H842-Y889 AromaticContact ND1-CE1 3.61Å; H842-Y889 AromaticContact ND1-CZ 3.63Å; H842-Y889 PolarHBondContact ND1-OH 3.34Å; R845-Y889 PolarHBondContact NH1-OH 2.95Å; V884-Y889 PolarHBondContact O-N 3.33Å; V884-Y889 VanDerWaalsContact O-N 3.1Å; Y887-Y889 WeakPolarHBondContact O-CD1 3.33Å; Y887-Y889 PolarHBondContact O-N 2.79Å; Y889-P891 HydrophobicContact CE1-CG 4.4Å; Y889-P891 HydrophobicContact CE2-CB 4.05Å; Y889-P891 HydrophobicContact CE2-CG 4.28Å; Y889-P891 WeakPolarHBondContact O-CD 3.41Å
890	M	96.5	Very high	94.5	Very high	26 Å²	26	42.7 Å²	42.7	13%	0.128	20%	0.199	C	C	.	.			trans	-82	107.8	171.3	177.5	55.6	76.9	0	0	110.7	H776 W785 F838 I880 V884 L892	H776-M890 HydrophobicContact CB-CE 4.44Å; W785-M890 HydrophobicContact CB-CE 4.03Å; W785-M890 HydrophobicContact CD2-CE 3.34Å; W785-M890 HydrophobicContact CE3-CE 3.9Å; W785-M890 HydrophobicContact CG-CE 3.4Å; W785-M890 HydrophobicContact CZ2-CB 4.01Å; W785-M890 HydrophobicContact CZ2-CE 4.33Å; W785-M890 HydrophobicContact CZ2-CG 4.3Å; F838-M890 HydrophobicContact CE1-SD 4.19Å; F838-M890 HydrophobicContact CE2-SD 4.36Å; F838-M890 HydrophobicContact CZ-CE 4.18Å; F838-M890 HydrophobicContact CZ-SD 3.68Å; I880-M890 HydrophobicContact CG2-CE 3.63Å; V884-M890 HydrophobicContact CG2-CB 4.28Å; V884-M890 HydrophobicContact CG2-CE 3.31Å; V884-M890 HydrophobicContact CG2-SD 3.93Å; M890-L892 HydrophobicContact CG-CB 4.41Å; M890-L892 HydrophobicContact SD-CB 3.81Å; M890-L892 HydrophobicContact SD-CD1 4.12Å; M890-L892 HydrophobicContact SD-CG 3.96Å
891	P	96.7	Very high	93.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.203	C	C	.	.			trans	-79	-28.3	-177.5	-15.1	34.1	0	0	0	113.1	F838 S841 H842 R845 Y887 Y889	F838-P891 HydrophobicContact CD1-CG 3.66Å; F838-P891 HydrophobicContact CE1-CG 4.08Å; F838-P891 HydrophobicContact CG-CG 4.47Å; S841-P891 WeakPolarHBondContact CB-O 3.36Å; H842-P891 HydrophobicContact CB-CB 3.93Å; H842-P891 HydrophobicContact CB-CG 4.47Å; R845-P891 PolarHBondContact NH1-O 3.25Å; R845-P891 PolarHBondContact NH2-O 3.22Å; Y887-P891 HydrophobicContact CD1-CG 4.35Å; Y887-P891 HydrophobicContact CD2-CG 4.06Å; Y887-P891 HydrophobicContact CG-CG 3.89Å; Y889-P891 HydrophobicContact CE1-CG 4.4Å; Y889-P891 HydrophobicContact CE2-CB 4.05Å; Y889-P891 HydrophobicContact CE2-CG 4.28Å; Y889-P891 WeakPolarHBondContact O-CD 3.41Å
892	L	98.1	Very high	93.2	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.026	23%	0.232	C	C	.	.			trans	-60.6	142.1	-178.5	-62.5	-177.3	0	0	0	111.2	H776 M797 N837 F838 M890	H776-L892 HydrophobicContact CB-CD1 4.35Å; H776-L892 VanDerWaalsContact CE1-CB 3.44Å; H776-L892 WeakPolarHBondContact CE1-CB 3.43Å; H776-L892 WeakPolarHBondContact ND1-CB 3.2Å; M797-L892 HydrophobicContact CE-CD1 4.04Å; M797-L892 HydrophobicContact CG-CD1 3.63Å; M797-L892 HydrophobicContact CG-CD2 3.98Å; M797-L892 HydrophobicContact CG-CG 4.45Å; M797-L892 HydrophobicContact SD-CD1 3.59Å; M797-L892 VanDerWaalsContact SD-CD1 3.59Å; N837-L892 HydrophobicContact CB-CD2 3.89Å; F838-L892 HydrophobicContact CD2-CD1 3.83Å; F838-L892 HydrophobicContact CD2-CD2 3.71Å; F838-L892 HydrophobicContact CD2-CG 3.64Å; F838-L892 HydrophobicContact CE2-CD1 3.36Å; F838-L892 HydrophobicContact CE2-CD2 4.13Å; F838-L892 HydrophobicContact CE2-CG 3.54Å; F838-L892 HydrophobicContact CG-CD2 4.36Å; F838-L892 HydrophobicContact CG-CG 4.38Å; F838-L892 HydrophobicContact CZ-CD1 4.16Å; F838-L892 HydrophobicContact CZ-CG 4.18Å; M890-L892 HydrophobicContact CG-CB 4.41Å; M890-L892 HydrophobicContact SD-CB 3.81Å; M890-L892 HydrophobicContact SD-CD1 4.12Å; M890-L892 HydrophobicContact SD-CG 3.96Å
893	L	97.1	Very high	92.5	Very high	55 Å²	55	47.7 Å²	47.7	29%	0.288	23%	0.233	S	C	.	.			trans	-122	139.9	178.8	-66.9	175.4	0	0	0	109.7	S796 R845 P847	S796-L893 VanDerWaalsContact CA-O 3.26Å; S796-L893 WeakPolarHBondContact CA-O 3.22Å; S796-L893 WeakPolarHBondContact CB-O 3.43Å; R845-L893 WeakPolarHBondContact O-CD1 3.28Å; P847-L893 HydrophobicContact CB-CB 4.08Å; P847-L893 WeakPolarHBondContact CB-O 3.11Å
894	Y	97.3	Very high	91.8	Very high	88 Å²	88	50.2 Å²	50.2	35%	0.345	24%	0.244	S	C	.	.			trans	-72.5	149.2	172.5	-64.9	-75.3	0	0	0	111.4	Y775 H776 E794 L795	Y775-Y894 HydrophobicContact CD2-CE1 4.47Å; H776-Y894 AromaticContact CD2-CZ 3.76Å; H776-Y894 PolarHBondContact CD2-OH 3.42Å; H776-Y894 VanDerWaalsContact CD2-OH 3.28Å; H776-Y894 AromaticContact CE1-CE2 3.95Å; H776-Y894 AromaticContact CE1-CZ 3.8Å; H776-Y894 AromaticContact NE2-CE2 3.52Å; H776-Y894 AromaticContact NE2-CZ 3.46Å; H776-Y894 PolarHBondContact NE2-OH 3.35Å; H776-Y894 WeakPolarHBondContact O-CE1 3.26Å; H776-Y894 VanDerWaalsContact O-CZ 3.26Å; H776-Y894 PolarHBondContact O-OH 3.24Å; E794-Y894 HydrophobicContact CB-CD1 4.49Å; E794-Y894 HydrophobicContact CG-CD1 4.1Å; L795-Y894 CarbonylContact O-C 3.54Å; L795-Y894 WeakPolarHBondContact O-CA 3.19Å
895	T	96.1	Very high	91.1	Very high	21 Å²	21	57.2 Å²	57.2	13%	0.129	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-146.7	145.3	170.8	-173.9	0	0	0	0	109.9	E794 L795 P847 F897	E794-T895 CarbonylContact C-O 3.58Å; E794-T895 WeakPolarHBondContact CA-O 3.4Å; L795-T895 HydrophobicContact CD1-CG2 3.6Å; L795-T895 HydrophobicContact CD2-CG2 4.3Å; L795-T895 HydrophobicContact CG-CG2 3.62Å; L795-T895 PolarHBondContact N-O 2.93Å; L795-T895 PolarHBondContact O-N 3.48Å; P847-T895 HydrophobicContact CB-CG2 3.8Å; P847-T895 HydrophobicContact CG-CG2 4.23Å; T895-F897 WeakPolarHBondContact OG1-CB 3.13Å; T895-F897 PolarHBondContact OG1-N 3.08Å
896	Q	94.8	Very high	90.6	Very high	149 Å²	149	55.3 Å²	55.3	70%	0.696	27%	0.27	S	S	*	.			trans	-104.3	7.8	170	-57.9	179.9	-10.6	0	0	110.6	C793 E794	C793-Q896 WeakPolarHBondContact O-CG 3.31Å; E794-Q896 HydrophobicContact CB-CG 4.1Å
897	F	92.2	Very high	90.1	Very high	112 Å²	112	66.6 Å²	66.6	49%	0.491	31%	0.311	S	S	.	.			trans	-82.4	119.1	-173.1	-169.6	-109.3	0	0	0	111.1	I849 T895 V899	I849-F897 HydrophobicContact CG2-CD1 4.24Å; I849-F897 HydrophobicContact CG2-CE1 4.26Å; T895-F897 WeakPolarHBondContact OG1-CB 3.13Å; T895-F897 PolarHBondContact OG1-N 3.08Å; F897-V899 HydrophobicContact CD1-CG2 3.98Å; F897-V899 HydrophobicContact CE1-CG2 3.24Å; F897-V899 HydrophobicContact CZ-CG2 3.71Å
898	R	91.5	Very high	89.7	Confident	112 Å²	112	68.2 Å²	68.2	42%	0.423	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.9	169.1	-175	-176.4	80.2	-154.8	-1.1	109	K850 T852 D900	K850-R898 HydrophobicContact CD-CG 4.34Å; K850-R898 HydrophobicContact CG-CG 4.27Å; K850-R898 WeakPolarHBondContact O-CA 2.99Å; T852-R898 WeakPolarHBondContact O-CD 3.49Å; R898-D900 IonicContact CZ-OD2 3.57Å; R898-D900 VanDerWaalsContact CZ-OD2 3.23Å; R898-D900 IonicContact NE-OD1 3.49Å; R898-D900 PolarHBondContact NE-OD1 2.75Å; R898-D900 IonicContact NE-OD2 2.78Å; R898-D900 PolarHBondContact NE-OD2 3.09Å; R898-D900 IonicContact NH2-OD2 3.94Å; R898-D900 PolarHBondContact NH2-OD2 3.29Å
899	V	92.3	Very high	89.2	Confident	32 Å²	32	71.7 Å²	71.7	19%	0.194	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	125.1	176.3	-169.3	0	0	0	0	109.4	F756 V760 I849 K850 V851 T852 F897	F756-V899 WeakPolarHBondContact CE1-O 3.32Å; F756-V899 HydrophobicContact CZ-CG1 3.99Å; V760-V899 HydrophobicContact CG1-CB 4.36Å; V760-V899 HydrophobicContact CG1-CG1 4.37Å; V760-V899 HydrophobicContact CG1-CG2 4.28Å; V760-V899 HydrophobicContact CG2-CB 4.42Å; V760-V899 HydrophobicContact CG2-CG1 3.87Å; I849-V899 HydrophobicContact CG2-CB 4.41Å; I849-V899 HydrophobicContact CG2-CG2 3.53Å; K850-V899 PolarHBondContact O-N 3.2Å; V851-V899 HydrophobicContact CG1-CB 4.41Å; T852-V899 PolarHBondContact N-O 3.21Å; F897-V899 HydrophobicContact CD1-CG2 3.98Å; F897-V899 HydrophobicContact CE1-CG2 3.24Å; F897-V899 HydrophobicContact CZ-CG2 3.71Å
900	D	88.9	Confident	88.5	Confident	34 Å²	34	81.1 Å²	81.1	18%	0.182	39%	0.387	C	S	.	.			trans	-119.6	164	168.7	-64.5	-49.8	0	0	0	108.5	F756 R898 F904	F756-D900 VanDerWaalsContact CZ-C 3.43Å; R898-D900 IonicContact CZ-OD2 3.57Å; R898-D900 VanDerWaalsContact CZ-OD2 3.23Å; R898-D900 IonicContact NE-OD1 3.49Å; R898-D900 PolarHBondContact NE-OD1 2.75Å; R898-D900 IonicContact NE-OD2 2.78Å; R898-D900 PolarHBondContact NE-OD2 3.09Å; R898-D900 IonicContact NH2-OD2 3.94Å; R898-D900 PolarHBondContact NH2-OD2 3.29Å; D900-F904 HydrophobicContact CB-CB 3.9Å; D900-F904 HydrophobicContact CB-CD1 3.54Å; D900-F904 HydrophobicContact CB-CE1 4.24Å; D900-F904 HydrophobicContact CB-CG 3.92Å
901	S	83.3	Confident	87.7	Confident	14 Å²	14	85.3 Å²	85.3	10%	0.098	41%	0.409	C	S	.	.			trans	-56.6	143.5	173.7	176.8	0	0	0	0	111	L903 F904	S901-L903 PolarHBondContact O-N 3.46Å; S901-F904 WeakPolarHBondContact O-CB 3.32Å; S901-F904 PolarHBondContact O-N 2.66Å
902	V	82.8	Confident	86.7	Confident	142 Å²	142	90.3 Å²	90.3	86%	0.861	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-34.6	-175.5	175.9	0	0	0	0	113.2
903	L	80.7	Confident	85.7	Confident	51 Å²	51	93 Å²	93	27%	0.267	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	21.3	179.8	-58.1	175.7	0	0	0	112.6	S901 K905 T906 L908 K914	S901-L903 PolarHBondContact O-N 3.46Å; L903-K905 PolarHBondContact O-N 3.27Å; L903-T906 VanDerWaalsContact C-OG1 3.32Å; L903-T906 WeakPolarHBondContact CA-OG1 3.3Å; L903-T906 HydrophobicContact CD2-CG2 4.42Å; L903-T906 WeakPolarHBondContact O-CB 3.5Å; L903-T906 PolarHBondContact O-N 2.85Å; L903-T906 PolarHBondContact O-OG1 3.48Å; L903-L908 HydrophobicContact CD1-CD1 3.98Å; L903-L908 HydrophobicContact CD1-CD2 4.19Å; L903-L908 HydrophobicContact CD2-CD2 4.32Å; L903-K914 HydrophobicContact CB-CG 4.15Å; L903-K914 VanDerWaalsContact O-CE 3.22Å; L903-K914 WeakPolarHBondContact O-CE 3.39Å; L903-K914 PolarHBondContact O-NZ 3.16Å
904	F	81.3	Confident	84.7	Confident	53 Å²	53	92.6 Å²	92.6	23%	0.232	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	130.6	176.5	175.6	-132.5	0	0	0	110.7	D900 S901 T906 I919	D900-F904 HydrophobicContact CB-CB 3.9Å; D900-F904 HydrophobicContact CB-CD1 3.54Å; D900-F904 HydrophobicContact CB-CE1 4.24Å; D900-F904 HydrophobicContact CB-CG 3.92Å; S901-F904 WeakPolarHBondContact O-CB 3.32Å; S901-F904 PolarHBondContact O-N 2.66Å; F904-T906 PolarHBondContact O-N 3.44Å; F904-T906 PolarHBondContact O-OG1 3.23Å; F904-I919 WeakPolarHBondContact CD2-O 3.47Å; F904-I919 WeakPolarHBondContact CE2-O 3.5Å
905	K	80.3	Confident	83.5	Confident	170 Å²	170	89.6 Å²	89.6	74%	0.739	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	5.7	-174.3	-69.5	178.8	175.8	179.3	0	116	L903	L903-K905 PolarHBondContact O-N 3.27Å
906	T	82.4	Confident	82.4	Confident	57 Å²	57	89.1 Å²	89.1	35%	0.35	43%	0.432	S	S	.	.			trans	-73.4	133.8	171.9	-43.9	0	0	0	0	110	L903 F904 L908 K914	L903-T906 VanDerWaalsContact C-OG1 3.32Å; L903-T906 WeakPolarHBondContact CA-OG1 3.3Å; L903-T906 HydrophobicContact CD2-CG2 4.42Å; L903-T906 WeakPolarHBondContact O-CB 3.5Å; L903-T906 PolarHBondContact O-N 2.85Å; L903-T906 PolarHBondContact O-OG1 3.48Å; F904-T906 PolarHBondContact O-N 3.44Å; F904-T906 PolarHBondContact O-OG1 3.23Å; T906-L908 HydrophobicContact CG2-CD2 4.27Å; T906-K914 WeakPolarHBondContact O-CE 3.34Å; T906-K914 PolarHBondContact O-NZ 3.2Å
907	R	82.7	Confident	80.9	Confident	242 Å²	242	86.5 Å²	86.5	91%	0.913	42%	0.418	S	S	*	.			trans	-81.3	126.8	169.5	-66.7	-178.3	-178.9	176.8	-0	108.2
908	L	81.6	Confident	79.3	Confident	54 Å²	54	87.3 Å²	87.3	28%	0.283	42%	0.422	S	S	.	.			trans	-108.6	145.6	179	-66.2	-177.1	0	0	0	110.5	L903 T906 K912 K914	L903-L908 HydrophobicContact CD1-CD1 3.98Å; L903-L908 HydrophobicContact CD1-CD2 4.19Å; L903-L908 HydrophobicContact CD2-CD2 4.32Å; T906-L908 HydrophobicContact CG2-CD2 4.27Å; L908-K912 HydrophobicContact CB-CB 4.15Å; L908-K912 HydrophobicContact CD1-CB 4.23Å; L908-K914 HydrophobicContact CD1-CB 4.4Å; L908-K914 HydrophobicContact CD1-CG 3.47Å; L908-K914 VanDerWaalsContact CD1-CG 3.47Å; L908-K914 HydrophobicContact CG-CG 4.32Å
909	P	82.4	Confident	77.7	Confident	79 Å²	79	82.9 Å²	82.9	51%	0.513	41%	0.406	S	S	.	.			trans	-55.3	157	164.5	-26.8	37.4	0	0	0	112.4	D911 K912	P909-D911 WeakPolarHBondContact CB-OD1 3.3Å; P909-D911 PolarHBondContact O-N 2.9Å; P909-D911 VanDerWaalsContact O-N 3.13Å; P909-K912 PolarHBondContact O-N 3.35Å
910	H	79.6	Confident	76.9	Confident	208 Å²	208	85.5 Å²	85.5	96%	0.963	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-21	-176.2	-68.2	-71.4	0	0	0	114.6	K912	H910-K912 VanDerWaalsContact C-N 3.34Å
911	D	79.1	Confident	76.3	Confident	113 Å²	113	88.2 Å²	88.2	60%	0.604	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-2.2	177.5	68.4	-58.8	0	0	0	113.6	P909	P909-D911 WeakPolarHBondContact CB-OD1 3.3Å; P909-D911 PolarHBondContact O-N 2.9Å; P909-D911 VanDerWaalsContact O-N 3.13Å
912	K	75.9	Confident	75.9	Confident	105 Å²	105	92.3 Å²	92.3	46%	0.457	45%	0.448	S	S	.	.			trans	-117.8	143.3	-178.3	-57.6	-59.7	-179.6	-162.5	0	111.1	L908 P909 H910	L908-K912 HydrophobicContact CB-CB 4.15Å; L908-K912 HydrophobicContact CD1-CB 4.23Å; P909-K912 PolarHBondContact O-N 3.35Å; H910-K912 VanDerWaalsContact C-N 3.34Å
913	T	76.8	Confident	75.5	Confident	61 Å²	61	89.4 Å²	89.4	37%	0.374	42%	0.423	S	S	.	.			trans	-117.2	152.5	175.8	55.6	0	0	0	0	110.7	G647 K648	G647-T913 VanDerWaalsContact CA-O 3.27Å; G647-T913 WeakPolarHBondContact CA-O 3.38Å; G647-T913 PolarHBondContact N-O 3.32Å; K648-T913 PolarHBondContact N-OG1 2.86Å
914	K	76.3	Confident	75.2	Confident	47 Å²	47	91.8 Å²	91.8	20%	0.204	43%	0.433	C	S	.	.			trans	-83.5	147	169.8	-62.4	-176.2	-179.8	-166.6	0	109.3	L903 T906 L908 F916	L903-K914 HydrophobicContact CB-CG 4.15Å; L903-K914 VanDerWaalsContact O-CE 3.22Å; L903-K914 WeakPolarHBondContact O-CE 3.39Å; L903-K914 PolarHBondContact O-NZ 3.16Å; T906-K914 WeakPolarHBondContact O-CE 3.34Å; T906-K914 PolarHBondContact O-NZ 3.2Å; L908-K914 HydrophobicContact CD1-CB 4.4Å; L908-K914 HydrophobicContact CD1-CG 3.47Å; L908-K914 VanDerWaalsContact CD1-CG 3.47Å; L908-K914 HydrophobicContact CG-CG 4.32Å; K914-F916 VanDerWaalsContact CB-O 3.29Å; K914-F916 WeakPolarHBondContact CB-O 3.37Å; K914-F916 PolarHBondContact O-N 3.45Å
915	C	72.9	Confident	74.8	Confident	26 Å²	26	94.3 Å²	94.3	18%	0.176	45%	0.446	C	S	.	.	S	Bend	trans	-63.9	-30.9	172.7	-50.2	0	0	0	0	112.3	F650	F650-C915 HydrophobicContact CB-CB 4.47Å
916	F	72.4	Confident	74.4	Confident	11 Å²	11	88.9 Å²	88.9	5%	0.048	43%	0.425	C	S	.	.			trans	-134.7	123.6	173.9	-62.2	-78.9	0	0	0	108.1	D752 M755 F756 K914 I919	D752-F916 HydrophobicContact CB-CD1 4.2Å; M755-F916 HydrophobicContact CB-CE1 4.41Å; F756-F916 HydrophobicContact CB-CE1 4.09Å; F756-F916 HydrophobicContact CB-CE2 4.15Å; F756-F916 HydrophobicContact CB-CZ 3.84Å; F756-F916 HydrophobicContact CD2-CD2 4.07Å; F756-F916 AromaticContact CD2-CE2 3.67Å; F756-F916 HydrophobicContact CD2-CE2 3.67Å; F756-F916 HydrophobicContact CD2-CZ 4.19Å; F756-F916 HydrophobicContact CG-CE2 4.38Å; K914-F916 VanDerWaalsContact CB-O 3.29Å; K914-F916 WeakPolarHBondContact CB-O 3.37Å; K914-F916 PolarHBondContact O-N 3.45Å; F916-I919 HydrophobicContact CB-CB 4.4Å; F916-I919 HydrophobicContact CB-CD1 3.38Å; F916-I919 HydrophobicContact CB-CG1 3.73Å; F916-I919 HydrophobicContact CD1-CD1 3.44Å; F916-I919 VanDerWaalsContact CD1-CD1 3.44Å; F916-I919 HydrophobicContact CD1-CG1 4.44Å; F916-I919 HydrophobicContact CD2-CD1 3.85Å; F916-I919 HydrophobicContact CE1-CD1 4.09Å; F916-I919 HydrophobicContact CE2-CD1 4.45Å; F916-I919 HydrophobicContact CG-CD1 3.29Å; F916-I919 HydrophobicContact CG-CG1 4.2Å
917	K	63.2	Low	73.8	Confident	93 Å²	93	91.4 Å²	91.4	40%	0.404	43%	0.431	S	S	.	.	S	Bend	trans	-76.1	-36.9	-175.7	-67.5	177.7	-174.5	167.7	0	111.9	D572 L573	D572-K917 PolarHBondContact O-NZ 3.4Å; L573-K917 HydrophobicContact CD1-CB 3.76Å; L573-K917 HydrophobicContact CD1-CD 4.18Å; L573-K917 HydrophobicContact CD1-CG 4.14Å; L573-K917 HydrophobicContact CD2-CB 4.15Å; L573-K917 HydrophobicContact CD2-CD 4.31Å; L573-K917 HydrophobicContact CD2-CG 3.86Å; L573-K917 HydrophobicContact CG-CB 4.12Å; L573-K917 HydrophobicContact CG-CD 3.85Å; L573-K917 HydrophobicContact CG-CG 3.92Å
918	F	59.5	Low	73	Confident	130 Å²	130	78.8 Å²	78.8	57%	0.57	39%	0.391	S	S	*	.			trans	-131.8	72.6	-170.8	-52.5	-75.4	0	0	0	111.4	L573 R750	L573-F918 HydrophobicContact CD1-CD2 3.82Å; L573-F918 HydrophobicContact CD1-CE2 4.26Å; R750-F918 PolarHBondContact NH2-O 3.5Å
919	I	56.7	Low	72.3	Confident	19 Å²	19	81.1 Å²	81.1	10%	0.097	40%	0.401	C	S	.	.			trans	-127.3	0	170.7	-65.7	-174.6	0	0	0	107.5	F756 T852 F904 F916	F756-I919 HydrophobicContact CB-CD1 3.42Å; F756-I919 VanDerWaalsContact CB-CD1 3.42Å; F756-I919 HydrophobicContact CD1-CD1 4.17Å; F756-I919 HydrophobicContact CD1-CG2 4Å; F756-I919 HydrophobicContact CD2-CD1 4.14Å; F756-I919 HydrophobicContact CE1-CG2 4.14Å; F756-I919 HydrophobicContact CG-CD1 3.65Å; F756-I919 HydrophobicContact CG-CG2 4.43Å; T852-I919 HydrophobicContact CG2-CG2 3.61Å; F904-I919 WeakPolarHBondContact CD2-O 3.47Å; F904-I919 WeakPolarHBondContact CE2-O 3.5Å; F916-I919 HydrophobicContact CB-CB 4.4Å; F916-I919 HydrophobicContact CB-CD1 3.38Å; F916-I919 HydrophobicContact CB-CG1 3.73Å; F916-I919 HydrophobicContact CD1-CD1 3.44Å; F916-I919 VanDerWaalsContact CD1-CD1 3.44Å; F916-I919 HydrophobicContact CD1-CG1 4.44Å; F916-I919 HydrophobicContact CD2-CD1 3.85Å; F916-I919 HydrophobicContact CE1-CD1 4.09Å; F916-I919 HydrophobicContact CE2-CD1 4.45Å; F916-I919 HydrophobicContact CG-CD1 3.29Å; F916-I919 HydrophobicContact CG-CG1 4.2Å

Retrieved 919 of 919 residues in 528 ms (Link to these results)

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