A0A077ZC78_TRITR Loading...

Staphylococcal nuclease domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A077ZC78, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 921 aa.

						>A0A077ZC78_TRITR|A0A077ZC78
MATSSEVGTPSTQTAPKMGIVKQILGDGSVVIRGQPKGGPPPERQLSLSYVVVPRLARRPTDAFPTEIKDEPYAWEAREWMRKFLVGKQVQFKLEYTIPNTGREFGTLLVKINGTVCNVADKLVSEGLAELRPVKIKDERHKFLSELAAAAVAARKGKWSNDNPADHIRKIVWTVDNPREFVEAHKGKPIKAIIDYVRDGSTVRAIVLPNYTPITVMMSGIRSPTFKLGDGGAIVGAEPYAEEAKYFTECRLLQQDVEIWIESVSNQNFLGTIIHPNGDIAESLLREGFARCVDWTIGLVTGGSERLRAAERKAKERRLRLWKSYEAPAASADGPKVYQAKVTEIVLGDAMIVKKADGSSQKIWLSSVRSPRWEDLNVTRINQNGNRQVRPRPLYDIPFLFQAREFLRHKLVGKTVQYTVDYVQPASGQFPERVCCTVIINGQNVGEMLIAKGLATVFRHRQGDENRSSQYDQLLMAEQQAEKKGLGIHGAKSNGDMESSSGNKADKLIMRVQELQGNASKSKQFLPFLQRAGRSVGVVEFVAAGSRLRIYVPKESCLLTLLLGGINCPRPLRPVGSGGAEAPAEPFSTEAMQFTRDKCFQKEVEFEVDSVDKAGNFIGSCFVGGKNLAELLLEEGFGSVHFTADRSKYGNALRAAEKVAKENSRGVWSLPDYQQESQDEKDEEEEQNDSMSFGILPERVPDYRPVLVTDIQPNLRFFVQYFDQGEVLEKMMNDLRADMASSLSPTSSYEPKKGQLCAALFSCDKQWYRARVENIKSYDQFDVIYIDFGNRETRNATQLAPLPPAYANHPPGAKECALALVKLPPDIEYCAFAMRHFDDIVKDEQCMLNVEYRDGNIDYVTLLHNDTDVGKSLLRSGYCNVSPRRDRRLQSLITEYQQAEMEAKKERLNVWQYGDFTGTDL
					

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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	27.7	Very low	44.2	Very low	235 Å²	235	99.5 Å²	99.5	100%	1.158	62%	0.617	S	S	*	*				0	107.3	0	-69.9	179.5	-173.9	0	0	107.7	T3	M1-T3 PolarHBondContact O-N 3.29Å
2	A	28.1	Very low	45.2	Very low	110 Å²	110	101.8 Å²	101.8	91%	0.909	63%	0.631	S	S	*	*			trans	-72	91.6	-180	0	0	0	0	0	108.8	S4	A2-S4 PolarHBondContact O-N 3.4Å
3	T	29.5	Very low	46	Very low	120 Å²	120	108.9 Å²	108.9	74%	0.736	65%	0.652	S	S	*	*			trans	-56.6	124.5	171.8	47.4	0	0	0	0	108.4	M1 S5	M1-T3 PolarHBondContact O-N 3.29Å; T3-S5 PolarHBondContact O-N 3Å
4	S	35.3	Very low	47.2	Very low	107 Å²	107	104.1 Å²	104.1	75%	0.748	62%	0.624	S	S	*	*			trans	9.7	87	165.6	56.4	0	0	0	0	113.8	A2 E6	A2-S4 PolarHBondContact O-N 3.4Å; S4-E6 PolarHBondContact O-N 2.91Å
5	S	42.5	Very low	49.2	Very low	67 Å²	67	102.2 Å²	102.2	47%	0.469	62%	0.624	S	S	.	*			trans	-43.7	116.7	170.9	54.8	0	0	0	0	108.9	T3 V7	T3-S5 PolarHBondContact O-N 3Å; S5-V7 VanDerWaalsContact C-N 3.32Å; S5-V7 WeakPolarHBondContact O-CG2 3.24Å; S5-V7 PolarHBondContact O-N 2.9Å
6	E	43.4	Very low	51.4	Low	96 Å²	96	100.1 Å²	100.1	45%	0.449	61%	0.612	S	S	.	*			trans	-56.4	92.3	178.5	-65.9	177.2	138.3	0	0	109.5	S4 G8 I98	S4-E6 PolarHBondContact O-N 2.91Å; E6-G8 PolarHBondContact O-N 3.33Å; E6-G8 VanDerWaalsContact O-N 3.08Å; E6-I98 HydrophobicContact CB-CG2 3.93Å; E6-I98 VanDerWaalsContact CD-CG2 3.4Å; E6-I98 HydrophobicContact CG-CG2 4.11Å; E6-I98 WeakPolarHBondContact OE2-CG2 3.39Å
7	V	51	Low	53.8	Low	114 Å²	114	100.1 Å²	100.1	69%	0.691	60%	0.602	S	S	*	*			trans	-73.2	103.3	173	-178	0	0	0	0	105.5	S5	S5-V7 VanDerWaalsContact C-N 3.32Å; S5-V7 WeakPolarHBondContact O-CG2 3.24Å; S5-V7 PolarHBondContact O-N 2.9Å
8	G	52.8	Low	56	Low	13 Å²	13	100.4 Å²	100.4	13%	0.134	60%	0.598	C	S	.	*	P	Polyproline II helix	trans	-58.5	143	177.7	0	0	0	0	0	111	E6 P10 T97	E6-G8 PolarHBondContact O-N 3.33Å; E6-G8 VanDerWaalsContact O-N 3.08Å; G8-P10 WeakPolarHBondContact O-CD 3.46Å; G8-T97 WeakPolarHBondContact CA-O 3.45Å
9	T	56.8	Low	58	Low	90 Å²	90	95.6 Å²	95.6	55%	0.552	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-68.1	120	173.9	-45.1	0	0	0	0	107.6	S11 Y96 T97	T9-S11 PolarHBondContact O-N 3.39Å; T9-Y96 WeakPolarHBondContact O-CA 2.98Å; T9-Y96 WeakPolarHBondContact O-CB 3.28Å; T9-T97 PolarHBondContact N-O 3.46Å; T9-T97 PolarHBondContact O-N 3.3Å
10	P	60.6	Low	59.9	Low	107 Å²	107	92.1 Å²	92.1	70%	0.695	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.4	130.3	177.1	22.6	-30.3	0	0	0	109.1	G8	G8-P10 WeakPolarHBondContact O-CD 3.46Å
11	S	58.3	Low	61.6	Low	36 Å²	36	87.7 Å²	87.7	25%	0.252	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-68.9	139.7	175.3	66.6	0	0	0	0	109.9	T9 Q13 L94 E95	T9-S11 PolarHBondContact O-N 3.39Å; S11-Q13 PolarHBondContact O-N 2.93Å; S11-L94 PolarHBondContact OG-O 3.34Å; S11-E95 PolarHBondContact N-O 3.42Å; S11-E95 PolarHBondContact OG-O 2.64Å; S11-E95 VanDerWaalsContact OG-O 3.09Å
12	T	56.5	Low	64.8	Low	127 Å²	127	77.7 Å²	77.7	78%	0.779	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-52.2	137.6	163.9	42.8	0	0	0	0	108.1	T14	T12-T14 VanDerWaalsContact C-N 3.32Å; T12-T14 PolarHBondContact O-N 3.14Å
13	Q	55.7	Low	68	Low	194 Å²	194	74.5 Å²	74.5	91%	0.907	44%	0.439	S	S	*	.			trans	-44.7	93	-171.8	-72.9	-173.1	10.3	0	0	111.6	S11	S11-Q13 PolarHBondContact O-N 2.93Å
14	T	62.7	Low	71.2	Confident	42 Å²	42	68.9 Å²	68.9	26%	0.258	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-86.4	125.7	-177.7	29.7	0	0	0	0	106.9	T12 L94	T12-T14 VanDerWaalsContact C-N 3.32Å; T12-T14 PolarHBondContact O-N 3.14Å; T14-L94 PolarHBondContact OG1-O 3.42Å
15	A	77.7	Confident	74	Confident	75 Å²	75	65.7 Å²	65.7	62%	0.62	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-55.6	139.4	172.1	0	0	0	0	0	109.1	K17	A15-K17 PolarHBondContact O-N 3.05Å
16	P	84.4	Confident	76.1	Confident	68 Å²	68	64 Å²	64	44%	0.442	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-61.2	137	179	25.7	-33.5	0	0	0	110.4	Q91 F92	P16-Q91 HydrophobicContact CB-CG 3.75Å; P16-F92 WeakPolarHBondContact CA-O 3.5Å
17	K	91.7	Very high	78	Confident	101 Å²	101	61.4 Å²	61.4	44%	0.439	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	155.5	-178.6	-64.8	-177.8	-177.1	178.8	0	110.4	A15 Q91 F92	A15-K17 PolarHBondContact O-N 3.05Å; K17-Q91 CarbonylContact O-C 3.52Å; K17-Q91 VanDerWaalsContact O-CA 3.32Å; K17-Q91 WeakPolarHBondContact O-CA 3.32Å; K17-F92 HydrophobicContact CB-CD1 4.28Å; K17-F92 HydrophobicContact CB-CD2 4.49Å; K17-F92 HydrophobicContact CB-CE1 3.74Å; K17-F92 HydrophobicContact CB-CE2 3.98Å; K17-F92 HydrophobicContact CB-CZ 3.58Å; K17-F92 HydrophobicContact CD-CE2 4.29Å; K17-F92 HydrophobicContact CD-CZ 4.22Å; K17-F92 PolarHBondContact N-O 2.99Å; K17-F92 WeakPolarHBondContact O-CD1 3.2Å; K17-F92 PolarHBondContact O-N 2.93Å
18	M	93.2	Very high	79.6	Confident	106 Å²	106	56.1 Å²	56.1	52%	0.522	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	145.3	174.8	-61.1	-58.1	-66.7	0	0	110.5	Q89 V90 Q91	M18-Q89 HydrophobicContact CE-CG 3.83Å; M18-V90 WeakPolarHBondContact CA-O 3.2Å; M18-Q91 HydrophobicContact CE-CB 4.32Å; M18-Q91 HydrophobicContact SD-CB 3.58Å; M18-Q91 VanDerWaalsContact SD-CB 3.58Å; M18-Q91 HydrophobicContact SD-CG 3.8Å
19	G	94.4	Very high	81.6	Confident	8 Å²	8	55.5 Å²	55.5	8%	0.082	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	-177.7	173.2	0	0	0	0	0	112	R33 Q89 V90	G19-R33 WeakPolarHBondContact CA-O 3.49Å; G19-Q89 CarbonylContact O-C 3.54Å; G19-Q89 WeakPolarHBondContact O-CA 3.28Å; G19-V90 PolarHBondContact N-O 3.45Å; G19-V90 PolarHBondContact O-N 3.27Å
20	I	95	Very high	83.5	Confident	25 Å²	25	51.2 Å²	51.2	13%	0.128	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.2	176.4	-60.5	171.5	0	0	0	107.9	K22 I32 R33 K88	I20-K22 PolarHBondContact O-N 2.98Å; I20-I32 WeakPolarHBondContact O-CA 3.28Å; I20-R33 HydrophobicContact CB-CG 4.18Å; I20-R33 PolarHBondContact N-O 3Å; I20-R33 WeakPolarHBondContact O-CG 3.39Å; I20-R33 PolarHBondContact O-N 3.3Å; I20-K88 WeakPolarHBondContact CA-O 3.38Å
21	V	96.4	Very high	85.2	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	116.4	176.4	178.8	0	0	0	0	109.1	I24 V30 L85 G87 K88 V90	V21-I24 HydrophobicContact CG1-CD1 3.64Å; V21-V30 HydrophobicContact CG1-CB 4.37Å; V21-L85 HydrophobicContact CB-CB 4.39Å; V21-L85 WeakPolarHBondContact CB-O 3.23Å; V21-L85 HydrophobicContact CG1-CB 4.14Å; V21-L85 HydrophobicContact CG2-CB 4.25Å; V21-G87 PolarHBondContact O-N 3.04Å; V21-K88 PolarHBondContact N-O 2.91Å; V21-V90 HydrophobicContact CG2-CB 4.29Å; V21-V90 HydrophobicContact CG2-CG1 3.6Å; V21-V90 HydrophobicContact CG2-CG2 3.69Å
22	K	95.3	Very high	87	Confident	24 Å²	24	45 Å²	45	10%	0.104	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-49.5	177.7	177.6	-178	178.4	179.5	0	111.2	I20 V31 R33 E43 E249 L253	I20-K22 PolarHBondContact O-N 2.98Å; K22-V31 HydrophobicContact CB-CG1 4.43Å; K22-V31 WeakPolarHBondContact CB-O 3.46Å; K22-V31 HydrophobicContact CD-CG1 4.39Å; K22-V31 PolarHBondContact N-O 3.4Å; K22-R33 HydrophobicContact CB-CB 4.39Å; K22-R33 HydrophobicContact CB-CG 4.21Å; K22-E43 HydrophobicContact CD-CG 4.47Å; K22-E43 WeakPolarHBondContact CD-OE1 3.37Å; K22-E43 WeakPolarHBondContact CE-OE1 3.38Å; K22-E43 IonicContact NZ-OE1 3.69Å; K22-E43 PolarHBondContact NZ-OE1 3.23Å; K22-E43 IonicContact NZ-OE2 3.57Å; K22-E43 PolarHBondContact NZ-OE2 3.48Å; K22-E249 VanDerWaalsContact CE-CD 3.48Å; K22-E249 WeakPolarHBondContact CE-OE2 3.33Å; K22-E249 VanDerWaalsContact NZ-CD 3.28Å; K22-E249 IonicContact NZ-OE1 3.61Å; K22-E249 PolarHBondContact NZ-OE1 2.52Å; K22-E249 VanDerWaalsContact NZ-OE1 3.14Å; K22-E249 IonicContact NZ-OE2 2.75Å; K22-E249 PolarHBondContact NZ-OE2 3.43Å; K22-L253 HydrophobicContact CD-CD2 4.45Å; K22-L253 HydrophobicContact CG-CD2 3.93Å
23	Q	95.9	Very high	88.8	Confident	43 Å²	43	40.7 Å²	40.7	20%	0.201	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	154.7	-175.1	56.7	173	7.4	0	0	111.4	L25 V31 L253 Q254	Q23-L25 HydrophobicContact CG-CD2 4.31Å; Q23-V31 HydrophobicContact CG-CB 3.58Å; Q23-V31 HydrophobicContact CG-CG1 4.44Å; Q23-V31 HydrophobicContact CG-CG2 3.72Å; Q23-V31 PolarHBondContact N-O 3.33Å; Q23-V31 PolarHBondContact O-N 3.31Å; Q23-L253 HydrophobicContact CB-CD2 4.12Å; Q23-Q254 VanDerWaalsContact CB-NE2 3.35Å
24	I	96.6	Very high	90.4	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	139.9	169.1	-36.2	-63.3	0	0	0	108.5	V21 V30 R78 M81 L85 V86 Q254	V21-I24 HydrophobicContact CG1-CD1 3.64Å; I24-V30 HydrophobicContact CD1-CB 4.4Å; I24-V30 HydrophobicContact CD1-CG1 3.61Å; I24-V30 HydrophobicContact CG2-CG1 4.46Å; I24-R78 PolarHBondContact O-NE 3.02Å; I24-R78 PolarHBondContact O-NH2 3.44Å; I24-M81 HydrophobicContact CD1-CB 4.26Å; I24-M81 HydrophobicContact CG1-CB 4.04Å; I24-M81 HydrophobicContact CG2-CB 3.92Å; I24-M81 HydrophobicContact CG2-CE 3.88Å; I24-M81 HydrophobicContact CG2-SD 3.88Å; I24-L85 HydrophobicContact CD1-CB 4.07Å; I24-L85 HydrophobicContact CD1-CD1 4.16Å; I24-V86 HydrophobicContact CD1-CG2 4.17Å; I24-V86 HydrophobicContact CG1-CG2 3.92Å; I24-Q254 PolarHBondContact O-NE2 2.71Å
25	L	94.2	Very high	91.4	Very high	41 Å²	41	36.3 Å²	36.3	22%	0.215	21%	0.207	C	C	.	.			trans	-99.6	169.1	180	-54.9	-176.6	0	0	0	110.9	Q23 D27 G28 S29 V31 Q45	Q23-L25 HydrophobicContact CG-CD2 4.31Å; L25-D27 PolarHBondContact O-N 3.33Å; L25-G28 PolarHBondContact O-N 3.4Å; L25-S29 PolarHBondContact N-O 2.96Å; L25-V31 HydrophobicContact CD1-CG2 3.99Å; L25-V31 HydrophobicContact CD2-CG2 4.11Å; L25-V31 HydrophobicContact CG-CG2 4.14Å; L25-Q45 HydrophobicContact CD1-CG 3.9Å
26	G	84.8	Confident	91.5	Very high	31 Å²	31	35.4 Å²	35.4	32%	0.32	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-2.9	-172.5	0	0	0	0	0	116.5	R55 L56	G26-R55 WeakPolarHBondContact O-CA 3.22Å; G26-L56 PolarHBondContact O-N 2.9Å
27	D	84.9	Confident	91.2	Very high	41 Å²	41	41.4 Å²	41.4	22%	0.219	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	18.3	177.8	65	-4.6	0	0	0	113	L25 S29 R103	L25-D27 PolarHBondContact O-N 3.33Å; D27-S29 PolarHBondContact O-N 2.95Å; D27-S29 WeakPolarHBondContact OD1-CB 3.18Å; D27-S29 PolarHBondContact OD1-N 2.92Å; D27-S29 PolarHBondContact OD1-OG 3.39Å; D27-R103 IonicContact OD2-CZ 3.53Å; D27-R103 IonicContact OD2-NH1 3.68Å; D27-R103 PolarHBondContact OD2-NH1 3.44Å; D27-R103 IonicContact OD2-NH2 2.71Å
28	G	83.8	Confident	90.2	Very high	4 Å²	4	41.3 Å²	41.3	4%	0.041	24%	0.241	C	C	.	.	S	Bend	trans	79.7	0.9	-176.3	0	0	0	0	0	114.4	L25 M81	L25-G28 PolarHBondContact O-N 3.4Å; G28-M81 WeakPolarHBondContact O-CE 3.42Å
29	S	94.8	Very high	89.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.23	C	C	.	.			trans	-69.7	152.4	171.2	-52.4	0	0	0	0	111.3	L25 D27 L46 S47	L25-S29 PolarHBondContact N-O 2.96Å; D27-S29 PolarHBondContact O-N 2.95Å; D27-S29 WeakPolarHBondContact OD1-CB 3.18Å; D27-S29 PolarHBondContact OD1-N 2.92Å; D27-S29 PolarHBondContact OD1-OG 3.39Å; S29-L46 WeakPolarHBondContact CA-O 3.43Å; S29-S47 PolarHBondContact OG-OG 3.14Å; S29-S47 VanDerWaalsContact OG-OG 3.07Å
30	V	97	Very high	88.3	Confident	0 Å²	0	40 Å²	40	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145	173.3	-59	0	0	0	0	110.2	V21 I24 I32 Q45 L46 M81 L85 L108	V21-V30 HydrophobicContact CG1-CB 4.37Å; I24-V30 HydrophobicContact CD1-CB 4.4Å; I24-V30 HydrophobicContact CD1-CG1 3.61Å; I24-V30 HydrophobicContact CG2-CG1 4.46Å; V30-I32 HydrophobicContact CG2-CD1 3.94Å; V30-I32 HydrophobicContact CG2-CG1 3.79Å; V30-Q45 CarbonylContact O-C 3.46Å; V30-Q45 WeakPolarHBondContact O-CA 3.29Å; V30-L46 HydrophobicContact CG2-CB 4.26Å; V30-L46 PolarHBondContact N-O 3.28Å; V30-L46 PolarHBondContact O-N 3.24Å; V30-M81 HydrophobicContact CG1-CE 3.82Å; V30-L85 HydrophobicContact CG1-CD1 4.38Å; V30-L108 HydrophobicContact CG1-CD2 4.13Å; V30-L108 HydrophobicContact CG2-CD2 3.77Å
31	V	96.6	Very high	87.9	Confident	9 Å²	9	39.1 Å²	39.1	6%	0.055	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	122.6	165.5	-179.1	0	0	0	0	107.9	K22 Q23 L25 E43	K22-V31 HydrophobicContact CB-CG1 4.43Å; K22-V31 WeakPolarHBondContact CB-O 3.46Å; K22-V31 HydrophobicContact CD-CG1 4.39Å; K22-V31 PolarHBondContact N-O 3.4Å; Q23-V31 HydrophobicContact CG-CB 3.58Å; Q23-V31 HydrophobicContact CG-CG1 4.44Å; Q23-V31 HydrophobicContact CG-CG2 3.72Å; Q23-V31 PolarHBondContact N-O 3.33Å; Q23-V31 PolarHBondContact O-N 3.31Å; L25-V31 HydrophobicContact CD1-CG2 3.99Å; L25-V31 HydrophobicContact CD2-CG2 4.11Å; L25-V31 HydrophobicContact CG-CG2 4.14Å; V31-E43 HydrophobicContact CG1-CB 3.98Å; V31-E43 HydrophobicContact CG1-CG 4.29Å; V31-E43 WeakPolarHBondContact CG1-OE2 3.38Å
32	I	96.3	Very high	87.5	Confident	4 Å²	4	43.8 Å²	43.8	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.1	-178.5	-54.7	171.1	0	0	0	107.4	I20 V30 E43 R44 L46 V90 F92 L108	I20-I32 WeakPolarHBondContact O-CA 3.28Å; V30-I32 HydrophobicContact CG2-CD1 3.94Å; V30-I32 HydrophobicContact CG2-CG1 3.79Å; I32-E43 CarbonylContact O-C 3.58Å; I32-E43 WeakPolarHBondContact O-CA 3.45Å; I32-R44 PolarHBondContact N-O 3.02Å; I32-R44 PolarHBondContact O-N 3.09Å; I32-L46 HydrophobicContact CD1-CB 4.15Å; I32-L46 HydrophobicContact CD1-CD2 4.11Å; I32-V90 HydrophobicContact CD1-CG2 4.36Å; I32-V90 HydrophobicContact CG1-CG2 4.49Å; I32-V90 HydrophobicContact CG2-CG2 4.19Å; I32-F92 HydrophobicContact CD1-CB 3.94Å; I32-F92 HydrophobicContact CD1-CD1 3.72Å; I32-F92 HydrophobicContact CD1-CD2 4.17Å; I32-F92 HydrophobicContact CD1-CE1 4.23Å; I32-F92 HydrophobicContact CD1-CG 3.68Å; I32-F92 HydrophobicContact CG2-CD1 4.08Å; I32-F92 HydrophobicContact CG2-CE1 3.78Å; I32-F92 HydrophobicContact CG2-CZ 4.47Å; I32-L108 HydrophobicContact CD1-CD1 3.75Å
33	R	94.1	Very high	87.4	Confident	35 Å²	35	46.8 Å²	46.8	13%	0.132	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	149.5	175.3	66.9	176.7	-177.2	84.8	-5	111.5	G19 I20 K22 P41 P42 E43 Y246	G19-R33 WeakPolarHBondContact CA-O 3.49Å; I20-R33 HydrophobicContact CB-CG 4.18Å; I20-R33 PolarHBondContact N-O 3Å; I20-R33 WeakPolarHBondContact O-CG 3.39Å; I20-R33 PolarHBondContact O-N 3.3Å; K22-R33 HydrophobicContact CB-CB 4.39Å; K22-R33 HydrophobicContact CB-CG 4.21Å; R33-P41 HydrophobicContact CB-CB 4.34Å; R33-P41 HydrophobicContact CB-CG 4.05Å; R33-P41 HydrophobicContact CG-CG 4.43Å; R33-P42 CarbonylContact C-O 3.53Å; R33-P42 WeakPolarHBondContact CA-O 3.48Å; R33-E43 HydrophobicContact CB-CG 4.15Å; R33-Y246 PolarHBondContact NH1-OH 3.02Å
34	G	89.7	Confident	87.2	Confident	20 Å²	20	48.9 Å²	48.9	21%	0.206	29%	0.291	C	S	.	.			trans	-78.4	-166.1	169.5	0	0	0	0	0	113.7	P41 P42	G34-P41 VanDerWaalsContact O-CB 3.26Å; G34-P41 WeakPolarHBondContact O-CB 3.27Å; G34-P42 PolarHBondContact N-O 3.41Å
35	Q	83.7	Confident	87.2	Confident	124 Å²	124	53 Å²	53	58%	0.579	31%	0.31	S	S	*	.			trans	-84	138.2	167.9	-67.4	-67.3	-8.4	0	0	109.8	K37	Q35-K37 PolarHBondContact O-N 2.94Å
36	P	78.6	Confident	87.2	Confident	57 Å²	57	51 Å²	51	37%	0.37	30%	0.3	S	S	.	.			trans	-65.3	133.6	176.9	27	-32.9	0	0	0	110.5	Y246	P36-Y246 HydrophobicContact CG-CE1 4.5Å
37	K	79.3	Confident	87.8	Confident	194 Å²	194	49.9 Å²	49.9	84%	0.843	29%	0.287	S	S	*	.	S	Bend	trans	-136.6	85.5	177.6	-69.6	-173.2	180	-175.4	0	109.8	Q35 G39	Q35-K37 PolarHBondContact O-N 2.94Å; K37-G39 VanDerWaalsContact C-N 3.27Å; K37-G39 PolarHBondContact O-N 3.38Å
38	G	70.3	Confident	88.2	Confident	98 Å²	98	48.2 Å²	48.2	100%	1.01	28%	0.278	S	S	*	.	S	Bend	trans	73	14	179.6	0	0	0	0	0	115.3
39	G	72.5	Confident	88.6	Confident	27 Å²	27	48.3 Å²	48.3	28%	0.278	28%	0.278	S	S	.	.	S	Bend	trans	176.2	-174.8	-177.9	0	0	0	0	0	111.3	K37	K37-G39 VanDerWaalsContact C-N 3.27Å; K37-G39 PolarHBondContact O-N 3.38Å
40	P	74.5	Confident	88.5	Confident	61 Å²	61	50.6 Å²	50.6	40%	0.396	29%	0.287	S	S	.	.	S	Bend	trans	-58.1	139.5	174.8	24.4	-32.2	0	0	0	110.6	E242	P40-E242 WeakPolarHBondContact CD-OE2 3.28Å; P40-E242 HydrophobicContact CG-CB 4.4Å; P40-E242 WeakPolarHBondContact CG-OE2 3.42Å
41	P	86.2	Confident	88.3	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.032	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-66.1	146.6	-176.8	26.7	-32.9	0	0	0	111.1	R33 G34 Y246	R33-P41 HydrophobicContact CB-CB 4.34Å; R33-P41 HydrophobicContact CB-CG 4.05Å; R33-P41 HydrophobicContact CG-CG 4.43Å; G34-P41 VanDerWaalsContact O-CB 3.26Å; G34-P41 WeakPolarHBondContact O-CB 3.27Å; P41-Y246 VanDerWaalsContact CD-CE2 3.49Å; P41-Y246 HydrophobicContact CG-CD2 4.15Å; P41-Y246 HydrophobicContact CG-CE2 3.54Å
42	P	88.6	Confident	88.3	Confident	99 Å²	99	53 Å²	53	64%	0.643	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-62.3	140.9	174.4	26.8	-34.2	0	0	0	110.5	R33 G34	R33-P42 CarbonylContact C-O 3.53Å; R33-P42 WeakPolarHBondContact CA-O 3.48Å; G34-P42 PolarHBondContact N-O 3.41Å
43	E	92.3	Very high	88.2	Confident	88 Å²	88	53.3 Å²	53.3	41%	0.411	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.2	-178.5	-65.8	-177.5	-168.8	0	0	111	K22 V31 I32 R33	K22-E43 HydrophobicContact CD-CG 4.47Å; K22-E43 WeakPolarHBondContact CD-OE1 3.37Å; K22-E43 WeakPolarHBondContact CE-OE1 3.38Å; K22-E43 IonicContact NZ-OE1 3.69Å; K22-E43 PolarHBondContact NZ-OE1 3.23Å; K22-E43 IonicContact NZ-OE2 3.57Å; K22-E43 PolarHBondContact NZ-OE2 3.48Å; V31-E43 HydrophobicContact CG1-CB 3.98Å; V31-E43 HydrophobicContact CG1-CG 4.29Å; V31-E43 WeakPolarHBondContact CG1-OE2 3.38Å; I32-E43 CarbonylContact O-C 3.58Å; I32-E43 WeakPolarHBondContact O-CA 3.45Å; R33-E43 HydrophobicContact CB-CG 4.15Å
44	R	92.7	Very high	88.3	Confident	86 Å²	86	52.4 Å²	52.4	33%	0.325	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	130.8	173.9	-179.5	172.6	-89.5	-138.3	-9.4	109.5	I32 E104	I32-R44 PolarHBondContact N-O 3.02Å; I32-R44 PolarHBondContact O-N 3.09Å; R44-E104 VanDerWaalsContact CD-OE2 3.24Å; R44-E104 WeakPolarHBondContact CD-OE2 3.43Å; R44-E104 IonicContact CZ-OE1 3.8Å; R44-E104 IonicContact CZ-OE2 3.31Å; R44-E104 VanDerWaalsContact CZ-OE2 3.27Å; R44-E104 IonicContact NE-OE2 3.63Å; R44-E104 PolarHBondContact NE-OE2 2.8Å; R44-E104 IonicContact NH1-OE1 3.98Å; R44-E104 PolarHBondContact NH1-OE1 2.59Å; R44-E104 IonicContact NH1-OE2 2.85Å; R44-E104 PolarHBondContact NH1-OE2 2.91Å; R44-E104 IonicContact NH2-OE1 2.88Å; R44-E104 PolarHBondContact NH2-OE1 2.91Å
45	Q	95.6	Very high	88.5	Confident	89 Å²	89	58.8 Å²	58.8	42%	0.416	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.7	172.4	-178.4	176.2	-26.6	0	0	109.5	L25 V30	L25-Q45 HydrophobicContact CD1-CG 3.9Å; V30-Q45 CarbonylContact O-C 3.46Å; V30-Q45 WeakPolarHBondContact O-CA 3.29Å
46	L	96	Very high	88.9	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.9	177.3	-174.2	74.8	0	0	0	109.7	S29 V30 I32 F92 L94 E104 L108	S29-L46 WeakPolarHBondContact CA-O 3.43Å; V30-L46 HydrophobicContact CG2-CB 4.26Å; V30-L46 PolarHBondContact N-O 3.28Å; V30-L46 PolarHBondContact O-N 3.24Å; I32-L46 HydrophobicContact CD1-CB 4.15Å; I32-L46 HydrophobicContact CD1-CD2 4.11Å; L46-F92 HydrophobicContact CD2-CB 3.74Å; L46-F92 HydrophobicContact CD2-CD2 4.21Å; L46-F92 HydrophobicContact CD2-CG 4.33Å; L46-L94 HydrophobicContact CD1-CD1 4.35Å; L46-E104 HydrophobicContact CD1-CB 4.4Å; L46-L108 HydrophobicContact CD2-CD1 4.44Å
47	S	95.8	Very high	89.5	Confident	6 Å²	6	52.2 Å²	52.2	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	143.8	170.9	-51.8	0	0	0	0	109.9	S29 S49 E104 F105 G106	S29-S47 PolarHBondContact OG-OG 3.14Å; S29-S47 VanDerWaalsContact OG-OG 3.07Å; S47-S49 PolarHBondContact O-N 3.22Å; S47-E104 WeakPolarHBondContact CB-O 3.33Å; S47-E104 PolarHBondContact N-O 3.02Å; S47-E104 PolarHBondContact OG-O 3.03Å; S47-F105 VanDerWaalsContact CB-CD1 3.41Å; S47-F105 CarbonylContact O-C 3.57Å; S47-F105 VanDerWaalsContact O-CA 3.28Å; S47-F105 WeakPolarHBondContact O-CA 3.36Å; S47-G106 PolarHBondContact O-N 2.93Å
48	L	94.8	Very high	89.9	Confident	7 Å²	7	50.5 Å²	50.5	4%	0.037	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	128.2	177.8	-61.5	178.2	0	0	0	110.6	V51 M81 L108 V119 L123	L48-V51 HydrophobicContact CB-CG2 3.51Å; L48-V51 HydrophobicContact CD1-CG2 4.25Å; L48-M81 HydrophobicContact CD1-CE 3.98Å; L48-L108 HydrophobicContact CD2-CB 3.65Å; L48-L108 HydrophobicContact CD2-CD2 4.14Å; L48-V119 HydrophobicContact CD1-CB 4.48Å; L48-V119 HydrophobicContact CD1-CG1 3.9Å; L48-V119 HydrophobicContact CD2-CB 4.3Å; L48-V119 HydrophobicContact CD2-CG1 4.39Å; L48-L123 HydrophobicContact CD1-CD1 3.45Å; L48-L123 VanDerWaalsContact CD1-CD1 3.45Å
49	S	91.6	Very high	90.7	Very high	5 Å²	5	51.5 Å²	51.5	4%	0.035	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	158.7	174.1	59.4	0	0	0	0	111.9	S47 V51 E95 G106	S47-S49 PolarHBondContact O-N 3.22Å; S49-V51 PolarHBondContact O-N 3.23Å; S49-E95 WeakPolarHBondContact CB-OE2 3.36Å; S49-E95 PolarHBondContact OG-OE2 3.3Å; S49-G106 PolarHBondContact N-O 2.8Å; S49-G106 PolarHBondContact OG-O 2.96Å
50	Y	91.6	Very high	91.3	Very high	48 Å²	48	52.3 Å²	52.3	19%	0.188	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	-7.5	-179.9	-60.8	-88.8	0	0	0	117.5	R132 D138 R140 H141 L144	Y50-R132 WeakPolarHBondContact O-CB 3.43Å; Y50-R132 PolarHBondContact O-N 3.37Å; Y50-D138 PolarHBondContact OH-OD2 2.72Å; Y50-R140 HydrophobicContact CD2-CG 4.12Å; Y50-R140 HydrophobicContact CE1-CG 4.45Å; Y50-R140 HydrophobicContact CE2-CG 3.99Å; Y50-R140 HydrophobicContact CG-CG 4.44Å; Y50-H141 HydrophobicContact CD1-CB 4.48Å; Y50-L144 VanDerWaalsContact CB-CD1 3.43Å; Y50-L144 HydrophobicContact CG-CD1 4Å
51	V	94.6	Very high	91.7	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.024	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	159	-175.8	-60.6	0	0	0	0	113.4	L48 S49 A120 V124 A129 E130 R132	L48-V51 HydrophobicContact CB-CG2 3.51Å; L48-V51 HydrophobicContact CD1-CG2 4.25Å; S49-V51 PolarHBondContact O-N 3.23Å; V51-A120 HydrophobicContact CG1-CB 3.93Å; V51-A120 HydrophobicContact CG2-CB 4.17Å; V51-V124 HydrophobicContact CG1-CG2 3.64Å; V51-A129 HydrophobicContact CB-CB 4.18Å; V51-E130 CarbonylContact C-O 3.55Å; V51-E130 WeakPolarHBondContact CA-O 3.44Å; V51-R132 PolarHBondContact O-NE 2.97Å; V51-R132 PolarHBondContact O-NH2 2.88Å
52	V	94.9	Very high	91.5	Very high	55 Å²	55	60.9 Å²	60.9	33%	0.333	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	117.8	169.9	-177.9	0	0	0	0	107.1	A129 E130 R132	V52-A129 WeakPolarHBondContact O-CA 3.44Å; V52-E130 PolarHBondContact N-O 3.42Å; V52-E130 PolarHBondContact O-N 3.41Å; V52-R132 HydrophobicContact CG2-CB 3.95Å; V52-R132 HydrophobicContact CG2-CG 4.22Å
53	V	95.2	Very high	91.2	Very high	11 Å²	11	59.9 Å²	59.9	7%	0.067	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-95.5	137.1	176.2	-177.5	0	0	0	0	108.2	A77 L123 A129	V53-A77 HydrophobicContact CG1-CB 3.84Å; V53-L123 HydrophobicContact CG2-CD1 4.13Å; V53-A129 HydrophobicContact CG2-CB 4.16Å
54	P	95.1	Very high	90.7	Very high	17 Å²	17	63 Å²	63	11%	0.11	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-58.8	141.1	178.2	-19.7	30	0	0	0	111.7	E71 A74 L128	P54-E71 WeakPolarHBondContact CA-OE2 3.41Å; P54-E71 HydrophobicContact CB-CB 3.84Å; P54-A74 HydrophobicContact CB-CB 3.85Å; P54-A74 WeakPolarHBondContact O-CB 3.29Å; P54-L128 VanDerWaalsContact CD-O 3.23Å; P54-L128 WeakPolarHBondContact CD-O 3.19Å
55	R	93.9	Very high	90.3	Very high	153 Å²	153	63.7 Å²	63.7	58%	0.577	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-85.3	135.2	-170.9	-63.9	178.2	179.8	173.7	3.6	112.4	G26 E71 A74	G26-R55 WeakPolarHBondContact O-CA 3.22Å; R55-E71 HydrophobicContact CB-CG 4.36Å; R55-E71 PolarHBondContact N-OE2 2.98Å; R55-E71 PolarHBondContact O-N 3.26Å; R55-A74 VanDerWaalsContact O-CB 3.26Å; R55-A74 WeakPolarHBondContact O-CB 3.23Å
56	L	93.3	Very high	89.8	Confident	28 Å²	28	64.8 Å²	64.8	15%	0.147	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-72.4	155.2	171.7	-64.6	175.9	0	0	0	112.4	G26 D70 A74 W75 R78	G26-L56 PolarHBondContact O-N 2.9Å; L56-D70 WeakPolarHBondContact CA-OD1 3.28Å; L56-A74 HydrophobicContact CD2-CB 3.88Å; L56-A74 WeakPolarHBondContact CD2-O 3.03Å; L56-W75 HydrophobicContact CD2-CB 4.49Å; L56-W75 HydrophobicContact CD2-CE3 4.32Å; L56-R78 HydrophobicContact CD1-CB 4.08Å; L56-R78 HydrophobicContact CD1-CG 3.65Å; L56-R78 HydrophobicContact CD2-CB 4.09Å; L56-R78 HydrophobicContact CD2-CG 4.46Å; L56-R78 HydrophobicContact CG-CB 4.4Å; L56-R78 HydrophobicContact CG-CG 4.49Å
57	A	91.3	Very high	89.2	Confident	16 Å²	16	68.3 Å²	68.3	13%	0.132	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-55.2	147.9	172.7	0	0	0	0	0	111.9	I68 D70 I171 W173	A57-I68 CarbonylContact C-O 3.52Å; A57-I68 WeakPolarHBondContact CA-O 3.32Å; A57-I68 WeakPolarHBondContact CB-O 3.47Å; A57-D70 VanDerWaalsContact CB-OD1 3.28Å; A57-D70 WeakPolarHBondContact CB-OD1 3.4Å; A57-D70 PolarHBondContact N-OD1 3.44Å; A57-I171 HydrophobicContact CB-CD1 3.54Å; A57-W173 HydrophobicContact CB-CH2 4.32Å; A57-W173 HydrophobicContact CB-CZ2 3.92Å
58	R	88	Confident	88.9	Confident	157 Å²	157	72.3 Å²	72.3	59%	0.592	37%	0.372	S	S	*	.	B	Isolated β-bridge	trans	-118.9	128.7	172.9	-64.2	-173.9	-179	175.4	-0.8	109.5	I68	R58-I68 HydrophobicContact CB-CB 4.23Å; R58-I68 HydrophobicContact CB-CD1 4.38Å; R58-I68 PolarHBondContact N-O 3.03Å; R58-I68 PolarHBondContact O-N 3.08Å
59	R	86.7	Confident	88.7	Confident	119 Å²	119	78.6 Å²	78.6	45%	0.449	40%	0.399	S	S	.	.			trans	-57.1	135.8	174.2	-172.4	-177.4	170.6	155.9	0.6	109.8	T61 W173	R59-T61 PolarHBondContact O-N 2.81Å; R59-W173 HydrophobicContact CB-CD2 3.98Å; R59-W173 HydrophobicContact CB-CE3 3.6Å; R59-W173 HydrophobicContact CB-CH2 4.08Å; R59-W173 HydrophobicContact CB-CZ2 4.41Å; R59-W173 HydrophobicContact CB-CZ3 3.67Å; R59-W173 HydrophobicContact CG-CB 4.36Å; R59-W173 HydrophobicContact CG-CD2 3.85Å; R59-W173 HydrophobicContact CG-CE3 3.66Å; R59-W173 HydrophobicContact CG-CG 4.17Å; R59-W173 HydrophobicContact CG-CZ3 4.26Å
60	P	85.5	Confident	88.8	Confident	44 Å²	44	78.6 Å²	78.6	29%	0.286	40%	0.399	S	S	.	.			trans	-52.2	134.9	166.2	-28.3	36.2	0	0	0	112.4	F64 P65 E67	P60-F64 WeakPolarHBondContact CA-O 3.24Å; P60-P65 WeakPolarHBondContact CB-O 3.37Å; P60-E67 HydrophobicContact CG-CB 3.8Å; P60-E67 HydrophobicContact CG-CG 4.42Å
61	T	82.8	Confident	89	Confident	72 Å²	72	80.3 Å²	80.3	44%	0.442	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-128.5	165.2	171.2	62.5	0	0	0	0	109.5	R59 A63 F64 P65	R59-T61 PolarHBondContact O-N 2.81Å; T61-A63 PolarHBondContact O-N 3.43Å; T61-A63 VanDerWaalsContact O-N 3.13Å; T61-F64 PolarHBondContact N-O 3.31Å; T61-F64 CarbonylContact O-C 3.56Å; T61-F64 PolarHBondContact O-N 3.1Å; T61-F64 VanDerWaalsContact O-O 3.07Å; T61-F64 PolarHBondContact OG1-N 3.38Å; T61-P65 WeakPolarHBondContact O-CA 3.43Å; T61-P65 VanDerWaalsContact O-N 3.11Å
62	D	80.5	Confident	89	Confident	175 Å²	175	82.5 Å²	82.5	94%	0.936	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.5	178	-58.6	-30.1	0	0	0	112.3
63	A	82.4	Confident	89	Confident	77 Å²	77	80.3 Å²	80.3	64%	0.636	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-27	175.4	0	0	0	0	0	113.7	T61	T61-A63 PolarHBondContact O-N 3.43Å; T61-A63 VanDerWaalsContact O-N 3.13Å
64	F	82.8	Confident	89.1	Confident	155 Å²	155	79.9 Å²	79.9	68%	0.68	41%	0.406	S	S	*	.	B	Isolated β-bridge	trans	-138.5	80.9	-179.7	-64.9	-78.6	0	0	0	109.2	P60 T61 T66	P60-F64 WeakPolarHBondContact CA-O 3.24Å; T61-F64 PolarHBondContact N-O 3.31Å; T61-F64 CarbonylContact O-C 3.56Å; T61-F64 PolarHBondContact O-N 3.1Å; T61-F64 VanDerWaalsContact O-O 3.07Å; T61-F64 PolarHBondContact OG1-N 3.38Å; F64-T66 PolarHBondContact O-N 2.55Å
65	P	82.9	Confident	89	Confident	99 Å²	99	80.3 Å²	80.3	64%	0.643	41%	0.405	S	S	*	.			trans	-72.2	-18.9	-169.5	27.3	-35.3	0	0	0	113.2	P60 T61	P60-P65 WeakPolarHBondContact CB-O 3.37Å; T61-P65 WeakPolarHBondContact O-CA 3.43Å; T61-P65 VanDerWaalsContact O-N 3.11Å
66	T	86.2	Confident	89.1	Confident	113 Å²	113	75.9 Å²	75.9	69%	0.693	39%	0.391	S	S	*	.	S	Bend	trans	-83.5	124.9	179.8	-39.7	0	0	0	0	110.6	F64 I68	F64-T66 PolarHBondContact O-N 2.55Å; T66-I68 PolarHBondContact O-N 3.41Å
67	E	84	Confident	89.2	Confident	73 Å²	73	74.5 Å²	74.5	34%	0.341	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-62.2	129.8	172.9	-175.7	-176.8	-170.5	0	0	110.8	P60 W173	P60-E67 HydrophobicContact CG-CB 3.8Å; P60-E67 HydrophobicContact CG-CG 4.42Å; E67-W173 PolarHBondContact OE1-NE1 3.23Å
68	I	89.1	Confident	89.4	Confident	90 Å²	90	74.6 Å²	74.6	46%	0.462	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-94.8	120	165.9	-61.4	171.5	0	0	0	106.3	A57 R58 T66	A57-I68 CarbonylContact C-O 3.52Å; A57-I68 WeakPolarHBondContact CA-O 3.32Å; A57-I68 WeakPolarHBondContact CB-O 3.47Å; R58-I68 HydrophobicContact CB-CB 4.23Å; R58-I68 HydrophobicContact CB-CD1 4.38Å; R58-I68 PolarHBondContact N-O 3.03Å; R58-I68 PolarHBondContact O-N 3.08Å; T66-I68 PolarHBondContact O-N 3.41Å
69	K	91	Very high	89.8	Confident	140 Å²	140	68 Å²	68	61%	0.609	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-77.9	161.7	176.8	-63.4	-176.3	179.3	-179.2	0	111.1	I168	K69-I168 HydrophobicContact CB-CG2 4.28Å
70	D	92.7	Very high	90.2	Very high	5 Å²	5	65.1 Å²	65.1	3%	0.027	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-57.8	138.8	169.7	-73.6	-23.9	0	0	0	109	L56 A57 A74 I168 R169	L56-D70 WeakPolarHBondContact CA-OD1 3.28Å; A57-D70 VanDerWaalsContact CB-OD1 3.28Å; A57-D70 WeakPolarHBondContact CB-OD1 3.4Å; A57-D70 PolarHBondContact N-OD1 3.44Å; D70-A74 HydrophobicContact CB-CB 4.27Å; D70-I168 HydrophobicContact CB-CG2 4.25Å; D70-R169 IonicContact OD1-NH2 3.84Å; D70-R169 PolarHBondContact OD1-NH2 2.88Å; D70-R169 VanDerWaalsContact OD1-NH2 3.13Å; D70-R169 WeakPolarHBondContact OD2-CB 3.44Å; D70-R169 WeakPolarHBondContact OD2-CG 3.47Å; D70-R169 IonicContact OD2-CZ 2.84Å; D70-R169 IonicContact OD2-NE 2.76Å; D70-R169 PolarHBondContact OD2-NE 3.2Å; D70-R169 IonicContact OD2-NH2 3.86Å; D70-R169 PolarHBondContact OD2-NH2 2.83Å
71	E	95.3	Very high	90.7	Very high	83 Å²	83	63 Å²	63	39%	0.388	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-66.5	147.6	158.1	-70.3	173	-175.9	0	0	108.6	P54 R55 Y73 A74	P54-E71 WeakPolarHBondContact CA-OE2 3.41Å; P54-E71 HydrophobicContact CB-CB 3.84Å; R55-E71 HydrophobicContact CB-CG 4.36Å; R55-E71 PolarHBondContact N-OE2 2.98Å; R55-E71 PolarHBondContact O-N 3.26Å; E71-Y73 PolarHBondContact O-N 2.91Å; E71-A74 HydrophobicContact CB-CB 4.45Å; E71-A74 WeakPolarHBondContact O-CB 3.48Å; E71-A74 PolarHBondContact O-N 3.46Å
72	P	95.1	Very high	91.4	Very high	50 Å²	50	60 Å²	60	33%	0.325	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	133.3	177.1	-30	36	0	0	0	112.2	A74 P164 I168	P72-A74 PolarHBondContact O-N 3.46Å; P72-P164 HydrophobicContact CB-CB 3.76Å; P72-P164 WeakPolarHBondContact CB-O 3.36Å; P72-P164 HydrophobicContact CG-CB 3.8Å; P72-I168 HydrophobicContact CG-CD1 4.14Å; P72-I168 HydrophobicContact CG-CG1 4.19Å
73	Y	95.6	Very high	92	Very high	10 Å²	10	58.1 Å²	58.1	4%	0.039	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	7.3	-178.3	-60	-94.4	0	0	0	115.8	E71 W75 E76 A77 G157 K158 S160 H167	E71-Y73 PolarHBondContact O-N 2.91Å; Y73-W75 VanDerWaalsContact C-N 3.33Å; Y73-W75 PolarHBondContact O-N 3Å; Y73-E76 VanDerWaalsContact CA-OE2 3.29Å; Y73-E76 WeakPolarHBondContact CA-OE2 3.34Å; Y73-E76 HydrophobicContact CD1-CG 4.49Å; Y73-E76 PolarHBondContact O-N 3.47Å; Y73-A77 WeakPolarHBondContact O-CB 3.26Å; Y73-A77 PolarHBondContact O-N 3.38Å; Y73-G157 VanDerWaalsContact CE1-C 3.5Å; Y73-G157 WeakPolarHBondContact CE1-O 3.48Å; Y73-G157 PolarHBondContact OH-O 3.27Å; Y73-K158 HydrophobicContact CD2-CB 3.52Å; Y73-K158 VanDerWaalsContact CE2-CA 3.46Å; Y73-K158 HydrophobicContact CE2-CB 3.89Å; Y73-K158 HydrophobicContact CG-CB 3.91Å; Y73-S160 PolarHBondContact OH-OG 2.88Å; Y73-H167 HydrophobicContact CD1-CB 4.18Å; Y73-H167 AromaticContact CD1-CG 3.85Å; Y73-H167 AromaticContact CD1-ND1 3.67Å; Y73-H167 HydrophobicContact CD2-CB 3.88Å; Y73-H167 HydrophobicContact CE1-CB 4.25Å; Y73-H167 AromaticContact CE1-CD2 3.68Å; Y73-H167 AromaticContact CE1-CE1 3.34Å; Y73-H167 WeakPolarHBondContact CE1-CE1 3.36Å; Y73-H167 AromaticContact CE1-CG 3.47Å; Y73-H167 VanDerWaalsContact CE1-CG 3.47Å; Y73-H167 AromaticContact CE1-ND1 3.26Å; Y73-H167 VanDerWaalsContact CE1-ND1 3.26Å; Y73-H167 WeakPolarHBondContact CE1-ND1 3.32Å; Y73-H167 AromaticContact CE1-NE2 3.57Å; Y73-H167 HydrophobicContact CE2-CB 3.93Å; Y73-H167 AromaticContact CE2-CD2 3.55Å; Y73-H167 AromaticContact CE2-CG 3.65Å; Y73-H167 HydrophobicContact CG-CB 4.01Å; Y73-H167 AromaticContact CZ-CD2 3.16Å; Y73-H167 AromaticContact CZ-CE1 3.59Å; Y73-H167 AromaticContact CZ-CG 3.37Å; Y73-H167 AromaticContact CZ-ND1 3.64Å; Y73-H167 AromaticContact CZ-NE2 3.29Å; Y73-H167 VanDerWaalsContact CZ-NE2 3.29Å; Y73-H167 PolarHBondContact N-O 2.79Å; Y73-H167 PolarHBondContact OH-CD2 2.98Å; Y73-H167 PolarHBondContact OH-NE2 3.26Å
74	A	95.9	Very high	92.6	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-62.4	-40.1	178.9	0	0	0	0	0	112.4	P54 R55 L56 D70 E71 P72 R78	P54-A74 HydrophobicContact CB-CB 3.85Å; P54-A74 WeakPolarHBondContact O-CB 3.29Å; R55-A74 VanDerWaalsContact O-CB 3.26Å; R55-A74 WeakPolarHBondContact O-CB 3.23Å; L56-A74 HydrophobicContact CD2-CB 3.88Å; L56-A74 WeakPolarHBondContact CD2-O 3.03Å; D70-A74 HydrophobicContact CB-CB 4.27Å; E71-A74 HydrophobicContact CB-CB 4.45Å; E71-A74 WeakPolarHBondContact O-CB 3.48Å; E71-A74 PolarHBondContact O-N 3.46Å; P72-A74 PolarHBondContact O-N 3.46Å; A74-R78 VanDerWaalsContact O-CB 3.23Å; A74-R78 WeakPolarHBondContact O-CB 3.41Å; A74-R78 PolarHBondContact O-N 3.46Å
75	W	94.5	Very high	93.2	Very high	27 Å²	27	49.1 Å²	49.1	10%	0.102	24%	0.243	C	C	.	.	H	α-helix	trans	-67	-44.1	177.6	178.4	-109.5	0	0	0	111.9	L56 Y73 A77 R78 E79 R169 I193 Y211	L56-W75 HydrophobicContact CD2-CB 4.49Å; L56-W75 HydrophobicContact CD2-CE3 4.32Å; Y73-W75 VanDerWaalsContact C-N 3.33Å; Y73-W75 PolarHBondContact O-N 3Å; W75-A77 PolarHBondContact O-N 3.31Å; W75-R78 CarbonylContact O-C 3.45Å; W75-R78 WeakPolarHBondContact O-CB 3.43Å; W75-R78 PolarHBondContact O-N 3.39Å; W75-E79 HydrophobicContact CD2-CG 4.18Å; W75-E79 HydrophobicContact CZ2-CG 3.74Å; W75-E79 VanDerWaalsContact O-CB 3.31Å; W75-E79 WeakPolarHBondContact O-CB 3.16Å; W75-E79 PolarHBondContact O-N 2.9Å; W75-R169 HydrophobicContact CB-CG 4Å; W75-R169 HydrophobicContact CG-CG 4.12Å; W75-I193 HydrophobicContact CH2-CD1 4Å; W75-I193 HydrophobicContact CZ2-CD1 3.87Å; W75-Y211 HydrophobicContact CD2-CE1 4.25Å; W75-Y211 AromaticContact CE2-CE1 3.48Å; W75-Y211 VanDerWaalsContact CE2-CE1 3.48Å; W75-Y211 HydrophobicContact CH2-CD1 4.4Å; W75-Y211 HydrophobicContact CH2-CE1 4.38Å; W75-Y211 HydrophobicContact CZ2-CD1 4.01Å; W75-Y211 AromaticContact CZ2-CE1 3.57Å; W75-Y211 HydrophobicContact CZ2-CE1 3.57Å; W75-Y211 AromaticContact NE1-CE1 3.54Å; W75-Y211 AromaticContact NE1-CZ 3.87Å
76	E	95.1	Very high	93.8	Very high	59 Å²	59	45.2 Å²	45.2	28%	0.276	22%	0.217	S	C	.	.	H	α-helix	trans	-62.2	-43.9	179.3	-68.7	88	151.9	0	0	110.8	Y73 R78 E79 W80 L128 H167	Y73-E76 VanDerWaalsContact CA-OE2 3.29Å; Y73-E76 WeakPolarHBondContact CA-OE2 3.34Å; Y73-E76 HydrophobicContact CD1-CG 4.49Å; Y73-E76 PolarHBondContact O-N 3.47Å; E76-R78 VanDerWaalsContact C-N 3.35Å; E76-R78 PolarHBondContact O-N 3.48Å; E76-E79 PolarHBondContact O-N 2.86Å; E76-W80 WeakPolarHBondContact O-CB 3.38Å; E76-W80 PolarHBondContact O-N 2.87Å; E76-L128 HydrophobicContact CB-CD2 4.13Å; E76-H167 IonicContact OE1-CE1 3.35Å; E76-H167 IonicContact OE1-CG 2.61Å; E76-H167 IonicContact OE1-ND1 2.86Å; E76-H167 PolarHBondContact OE1-ND1 2.89Å
77	A	96.6	Very high	94.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.4	-47.5	173.4	0	0	0	0	0	111.1	V53 Y73 W75 W80 M81 L128	V53-A77 HydrophobicContact CG1-CB 3.84Å; Y73-A77 WeakPolarHBondContact O-CB 3.26Å; Y73-A77 PolarHBondContact O-N 3.38Å; W75-A77 PolarHBondContact O-N 3.31Å; A77-W80 PolarHBondContact O-N 3.04Å; A77-M81 WeakPolarHBondContact O-CG 3.46Å; A77-M81 PolarHBondContact O-N 2.86Å; A77-L128 HydrophobicContact CB-CB 3.99Å; A77-L128 HydrophobicContact CB-CD2 4.44Å
78	R	95.2	Very high	94.6	Very high	17 Å²	17	43.6 Å²	43.6	6%	0.064	21%	0.213	C	C	.	.	H	α-helix	trans	-64.3	-41.5	179.3	177.6	66.7	178.5	62.1	21.2	113.1	I24 L56 A74 W75 E76 R82	I24-R78 PolarHBondContact O-NE 3.02Å; I24-R78 PolarHBondContact O-NH2 3.44Å; L56-R78 HydrophobicContact CD1-CB 4.08Å; L56-R78 HydrophobicContact CD1-CG 3.65Å; L56-R78 HydrophobicContact CD2-CB 4.09Å; L56-R78 HydrophobicContact CD2-CG 4.46Å; L56-R78 HydrophobicContact CG-CB 4.4Å; L56-R78 HydrophobicContact CG-CG 4.49Å; A74-R78 VanDerWaalsContact O-CB 3.23Å; A74-R78 WeakPolarHBondContact O-CB 3.41Å; A74-R78 PolarHBondContact O-N 3.46Å; W75-R78 CarbonylContact O-C 3.45Å; W75-R78 WeakPolarHBondContact O-CB 3.43Å; W75-R78 PolarHBondContact O-N 3.39Å; E76-R78 VanDerWaalsContact C-N 3.35Å; E76-R78 PolarHBondContact O-N 3.48Å; R78-R82 WeakPolarHBondContact O-CB 3.1Å; R78-R82 PolarHBondContact O-N 2.61Å
79	E	95.1	Very high	94.9	Very high	20 Å²	20	45 Å²	45	9%	0.093	22%	0.218	C	C	.	.	H	α-helix	trans	-66.7	-44.9	177.4	-102.3	-64.7	122.4	0	0	111.3	W75 E76 M81 R82 K83 I193	W75-E79 HydrophobicContact CD2-CG 4.18Å; W75-E79 HydrophobicContact CZ2-CG 3.74Å; W75-E79 VanDerWaalsContact O-CB 3.31Å; W75-E79 WeakPolarHBondContact O-CB 3.16Å; W75-E79 PolarHBondContact O-N 2.9Å; E76-E79 PolarHBondContact O-N 2.86Å; E79-M81 VanDerWaalsContact C-N 3.35Å; E79-M81 PolarHBondContact O-N 2.99Å; E79-R82 WeakPolarHBondContact O-CB 3.44Å; E79-R82 PolarHBondContact O-N 2.86Å; E79-R82 IonicContact OE1-CZ 2.8Å; E79-R82 IonicContact OE1-NE 3.74Å; E79-R82 PolarHBondContact OE1-NE 2.98Å; E79-R82 IonicContact OE1-NH2 3.13Å; E79-R82 PolarHBondContact OE1-NH2 3.41Å; E79-R82 IonicContact OE2-CZ 3.55Å; E79-R82 IonicContact OE2-NE 3.6Å; E79-R82 IonicContact OE2-NH2 3.26Å; E79-R82 PolarHBondContact OE2-NH2 3.35Å; E79-K83 PolarHBondContact O-N 3.11Å; E79-K83 WeakPolarHBondContact OE2-CE 3.34Å; E79-K83 IonicContact OE2-NZ 3.06Å; E79-K83 PolarHBondContact OE2-NZ 3.24Å; E79-I193 WeakPolarHBondContact OE1-CD1 3.44Å
80	W	95.9	Very high	95.1	Very high	57 Å²	57	38.4 Å²	38.4	22%	0.216	19%	0.19	C	C	.	.	H	α-helix	trans	-57.8	-50.6	175.6	-176.6	95.7	0	0	0	110	E76 A77 R82 K83 F84 K122 L123 L128	E76-W80 WeakPolarHBondContact O-CB 3.38Å; E76-W80 PolarHBondContact O-N 2.87Å; A77-W80 PolarHBondContact O-N 3.04Å; W80-R82 VanDerWaalsContact C-N 3.31Å; W80-R82 PolarHBondContact O-N 2.84Å; W80-K83 PolarHBondContact O-N 3.35Å; W80-F84 HydrophobicContact CE3-CB 4.35Å; W80-F84 HydrophobicContact CH2-CB 4.21Å; W80-F84 AromaticContact CH2-CD1 3.32Å; W80-F84 HydrophobicContact CH2-CD1 3.32Å; W80-F84 HydrophobicContact CH2-CD2 4.23Å; W80-F84 AromaticContact CH2-CE1 3.59Å; W80-F84 HydrophobicContact CH2-CE1 3.59Å; W80-F84 HydrophobicContact CH2-CE2 4.42Å; W80-F84 AromaticContact CH2-CG 3.68Å; W80-F84 HydrophobicContact CH2-CG 3.68Å; W80-F84 HydrophobicContact CH2-CZ 4.13Å; W80-F84 HydrophobicContact CZ2-CB 4.42Å; W80-F84 HydrophobicContact CZ2-CD1 4Å; W80-F84 HydrophobicContact CZ2-CD2 4.07Å; W80-F84 HydrophobicContact CZ2-CE1 4.22Å; W80-F84 HydrophobicContact CZ2-CE2 4.26Å; W80-F84 AromaticContact CZ2-CG 3.93Å; W80-F84 HydrophobicContact CZ2-CG 3.93Å; W80-F84 HydrophobicContact CZ2-CZ 4.33Å; W80-F84 HydrophobicContact CZ3-CB 4.2Å; W80-F84 AromaticContact CZ3-CD1 3.75Å; W80-F84 HydrophobicContact CZ3-CD1 3.75Å; W80-F84 HydrophobicContact CZ3-CE1 4.37Å; W80-F84 HydrophobicContact CZ3-CG 4.11Å; W80-F84 WeakPolarHBondContact O-CB 3.31Å; W80-F84 PolarHBondContact O-N 3.05Å; W80-K122 HydrophobicContact CH2-CB 3.36Å; W80-K122 HydrophobicContact CH2-CG 4.35Å; W80-K122 HydrophobicContact CZ2-CB 3.75Å; W80-K122 HydrophobicContact CZ3-CB 4.39Å; W80-L123 HydrophobicContact CD2-CD2 4.39Å; W80-L123 HydrophobicContact CE3-CD2 3.53Å; W80-L123 HydrophobicContact CE3-CG 4.11Å; W80-L123 HydrophobicContact CZ3-CD2 3.82Å; W80-L123 HydrophobicContact CZ3-CG 3.86Å; W80-L128 HydrophobicContact CB-CD1 3.62Å; W80-L128 HydrophobicContact CD2-CD1 4.19Å; W80-L128 HydrophobicContact CG-CD1 3.61Å
81	M	97	Very high	95.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-39.8	176.4	-69.3	-176.3	76.4	0	0	112.1	I24 G28 V30 L48 A77 E79 F84 L85 V119 L123	I24-M81 HydrophobicContact CD1-CB 4.26Å; I24-M81 HydrophobicContact CG1-CB 4.04Å; I24-M81 HydrophobicContact CG2-CB 3.92Å; I24-M81 HydrophobicContact CG2-CE 3.88Å; I24-M81 HydrophobicContact CG2-SD 3.88Å; G28-M81 WeakPolarHBondContact O-CE 3.42Å; V30-M81 HydrophobicContact CG1-CE 3.82Å; L48-M81 HydrophobicContact CD1-CE 3.98Å; A77-M81 WeakPolarHBondContact O-CG 3.46Å; A77-M81 PolarHBondContact O-N 2.86Å; E79-M81 VanDerWaalsContact C-N 3.35Å; E79-M81 PolarHBondContact O-N 2.99Å; M81-F84 PolarHBondContact O-N 2.76Å; M81-L85 HydrophobicContact CB-CD1 4.31Å; M81-L85 HydrophobicContact CE-CD1 3.92Å; M81-L85 WeakPolarHBondContact O-CB 3.22Å; M81-L85 WeakPolarHBondContact O-CG 3.17Å; M81-L85 PolarHBondContact O-N 3.2Å; M81-V119 HydrophobicContact CE-CG1 4.33Å; M81-L123 HydrophobicContact CE-CD1 4.22Å; M81-L123 HydrophobicContact CG-CD1 4.12Å; M81-L123 HydrophobicContact CG-CD2 3.82Å; M81-L123 HydrophobicContact CG-CG 4.37Å; M81-L123 HydrophobicContact SD-CD1 3.8Å; M81-L123 HydrophobicContact SD-CD2 4.3Å
82	R	95.7	Very high	95.2	Very high	8 Å²	8	38.5 Å²	38.5	3%	0.03	19%	0.189	C	C	.	.	H	α-helix	trans	-57.7	-56.9	178.9	-168.7	-178.6	65.7	84.6	-6.3	110.8	R78 E79 W80 F84 L85 V86 Q254 D256	R78-R82 WeakPolarHBondContact O-CB 3.1Å; R78-R82 PolarHBondContact O-N 2.61Å; E79-R82 WeakPolarHBondContact O-CB 3.44Å; E79-R82 PolarHBondContact O-N 2.86Å; E79-R82 IonicContact OE1-CZ 2.8Å; E79-R82 IonicContact OE1-NE 3.74Å; E79-R82 PolarHBondContact OE1-NE 2.98Å; E79-R82 IonicContact OE1-NH2 3.13Å; E79-R82 PolarHBondContact OE1-NH2 3.41Å; E79-R82 IonicContact OE2-CZ 3.55Å; E79-R82 IonicContact OE2-NE 3.6Å; E79-R82 IonicContact OE2-NH2 3.26Å; E79-R82 PolarHBondContact OE2-NH2 3.35Å; W80-R82 VanDerWaalsContact C-N 3.31Å; W80-R82 PolarHBondContact O-N 2.84Å; R82-F84 VanDerWaalsContact C-N 3.27Å; R82-F84 PolarHBondContact O-N 3.3Å; R82-L85 PolarHBondContact O-N 3.28Å; R82-V86 HydrophobicContact CB-CG2 4.47Å; R82-V86 HydrophobicContact CG-CG2 3.92Å; R82-V86 VanDerWaalsContact O-CB 3.31Å; R82-V86 WeakPolarHBondContact O-CB 3.26Å; R82-V86 WeakPolarHBondContact O-CG2 3.47Å; R82-V86 PolarHBondContact O-N 3.43Å; R82-Q254 WeakPolarHBondContact CD-O 3.35Å; R82-Q254 HydrophobicContact CG-CB 3.89Å; R82-Q254 WeakPolarHBondContact CG-O 3.4Å; R82-Q254 PolarHBondContact NH1-O 3.26Å; R82-D256 IonicContact CZ-OD1 3.37Å; R82-D256 IonicContact CZ-OD2 3.43Å; R82-D256 IonicContact NH1-OD1 3.11Å; R82-D256 IonicContact NH1-OD2 2.87Å; R82-D256 PolarHBondContact NH1-OD2 2.98Å; R82-D256 VanDerWaalsContact NH2-CG 3.31Å; R82-D256 IonicContact NH2-OD1 3.28Å; R82-D256 PolarHBondContact NH2-OD1 3.3Å; R82-D256 IonicContact NH2-OD2 2.72Å; R82-D256 PolarHBondContact NH2-OD2 3.38Å
83	K	94.9	Very high	95.1	Very high	137 Å²	137	40.5 Å²	40.5	60%	0.596	19%	0.193	S	C	*	.	H	α-helix	trans	-64.9	-33.5	-178.1	-72.3	175.7	171.5	152	0	112	E79 W80	E79-K83 PolarHBondContact O-N 3.11Å; E79-K83 WeakPolarHBondContact OE2-CE 3.34Å; E79-K83 IonicContact OE2-NZ 3.06Å; E79-K83 PolarHBondContact OE2-NZ 3.24Å; W80-K83 PolarHBondContact O-N 3.35Å
84	F	94.3	Very high	94.9	Very high	42 Å²	42	41 Å²	41	18%	0.184	20%	0.196	C	C	.	.	H	α-helix	trans	-79.6	-35.3	-177.9	-165.6	-113.5	0	0	0	113.3	W80 M81 R82 K88 V110 I112 C117 K122	W80-F84 HydrophobicContact CE3-CB 4.35Å; W80-F84 HydrophobicContact CH2-CB 4.21Å; W80-F84 AromaticContact CH2-CD1 3.32Å; W80-F84 HydrophobicContact CH2-CD1 3.32Å; W80-F84 HydrophobicContact CH2-CD2 4.23Å; W80-F84 AromaticContact CH2-CE1 3.59Å; W80-F84 HydrophobicContact CH2-CE1 3.59Å; W80-F84 HydrophobicContact CH2-CE2 4.42Å; W80-F84 AromaticContact CH2-CG 3.68Å; W80-F84 HydrophobicContact CH2-CG 3.68Å; W80-F84 HydrophobicContact CH2-CZ 4.13Å; W80-F84 HydrophobicContact CZ2-CB 4.42Å; W80-F84 HydrophobicContact CZ2-CD1 4Å; W80-F84 HydrophobicContact CZ2-CD2 4.07Å; W80-F84 HydrophobicContact CZ2-CE1 4.22Å; W80-F84 HydrophobicContact CZ2-CE2 4.26Å; W80-F84 AromaticContact CZ2-CG 3.93Å; W80-F84 HydrophobicContact CZ2-CG 3.93Å; W80-F84 HydrophobicContact CZ2-CZ 4.33Å; W80-F84 HydrophobicContact CZ3-CB 4.2Å; W80-F84 AromaticContact CZ3-CD1 3.75Å; W80-F84 HydrophobicContact CZ3-CD1 3.75Å; W80-F84 HydrophobicContact CZ3-CE1 4.37Å; W80-F84 HydrophobicContact CZ3-CG 4.11Å; W80-F84 WeakPolarHBondContact O-CB 3.31Å; W80-F84 PolarHBondContact O-N 3.05Å; M81-F84 PolarHBondContact O-N 2.76Å; R82-F84 VanDerWaalsContact C-N 3.27Å; R82-F84 PolarHBondContact O-N 3.3Å; F84-K88 WeakPolarHBondContact O-CG 3.45Å; F84-V110 HydrophobicContact CD1-CG1 4.37Å; F84-V110 HydrophobicContact CE1-CG1 3.63Å; F84-V110 HydrophobicContact CZ-CG1 4.15Å; F84-I112 HydrophobicContact CD1-CD1 4.41Å; F84-I112 HydrophobicContact CD2-CD1 3.71Å; F84-I112 HydrophobicContact CE1-CD1 3.92Å; F84-I112 HydrophobicContact CE2-CD1 3.13Å; F84-I112 HydrophobicContact CG-CD1 4.31Å; F84-I112 HydrophobicContact CZ-CD1 3.26Å; F84-C117 HydrophobicContact CZ-CB 4.46Å; F84-K122 HydrophobicContact CE1-CG 4.46Å; F84-K122 HydrophobicContact CZ-CG 4.29Å
85	L	95.9	Very high	94.7	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-118.2	-34.5	-165.9	-58.3	174.9	0	0	0	115.4	V21 I24 V30 M81 R82 G87 K88 L108 V110 V119	V21-L85 HydrophobicContact CB-CB 4.39Å; V21-L85 WeakPolarHBondContact CB-O 3.23Å; V21-L85 HydrophobicContact CG1-CB 4.14Å; V21-L85 HydrophobicContact CG2-CB 4.25Å; I24-L85 HydrophobicContact CD1-CB 4.07Å; I24-L85 HydrophobicContact CD1-CD1 4.16Å; V30-L85 HydrophobicContact CG1-CD1 4.38Å; M81-L85 HydrophobicContact CB-CD1 4.31Å; M81-L85 HydrophobicContact CE-CD1 3.92Å; M81-L85 WeakPolarHBondContact O-CB 3.22Å; M81-L85 WeakPolarHBondContact O-CG 3.17Å; M81-L85 PolarHBondContact O-N 3.2Å; R82-L85 PolarHBondContact O-N 3.28Å; L85-G87 PolarHBondContact O-N 2.96Å; L85-K88 VanDerWaalsContact O-CB 3.24Å; L85-K88 WeakPolarHBondContact O-CB 3.37Å; L85-K88 WeakPolarHBondContact O-CG 3.32Å; L85-K88 PolarHBondContact O-N 3.38Å; L85-L108 HydrophobicContact CD1-CD2 4.2Å; L85-V110 HydrophobicContact CD2-CB 4.18Å; L85-V110 HydrophobicContact CD2-CG1 3.98Å; L85-V110 HydrophobicContact CD2-CG2 4.43Å; L85-V119 HydrophobicContact CD1-CB 4.5Å; L85-V119 HydrophobicContact CD1-CG1 3.57Å; L85-V119 HydrophobicContact CD1-CG2 4.12Å; L85-V119 HydrophobicContact CD2-CG1 4.39Å; L85-V119 HydrophobicContact CD2-CG2 3.58Å; L85-V119 HydrophobicContact CG-CG1 4.47Å; L85-V119 HydrophobicContact CG-CG2 4.47Å
86	V	95.2	Very high	94.4	Very high	17 Å²	17	44 Å²	44	10%	0.103	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	130	-171.2	173.9	0	0	0	0	110.3	I24 R82 K88 Q254	I24-V86 HydrophobicContact CD1-CG2 4.17Å; I24-V86 HydrophobicContact CG1-CG2 3.92Å; R82-V86 HydrophobicContact CB-CG2 4.47Å; R82-V86 HydrophobicContact CG-CG2 3.92Å; R82-V86 VanDerWaalsContact O-CB 3.31Å; R82-V86 WeakPolarHBondContact O-CB 3.26Å; R82-V86 WeakPolarHBondContact O-CG2 3.47Å; R82-V86 PolarHBondContact O-N 3.43Å; V86-K88 PolarHBondContact O-N 2.81Å; V86-Q254 HydrophobicContact CG1-CB 4.39Å; V86-Q254 HydrophobicContact CG2-CB 4.3Å
87	G	92.3	Very high	94.2	Very high	50 Å²	50	43.1 Å²	43.1	52%	0.515	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	-5.7	-175.7	0	0	0	0	0	115.2	V21 L85	V21-G87 PolarHBondContact O-N 3.04Å; L85-G87 PolarHBondContact O-N 2.96Å
88	K	94.4	Very high	93.7	Very high	102 Å²	102	43.5 Å²	43.5	44%	0.443	21%	0.21	S	C	.	.			trans	-81.2	144.1	178.2	-55.6	-58.8	-179.1	-178.2	0	111.6	I20 V21 F84 L85 V86 V110	I20-K88 WeakPolarHBondContact CA-O 3.38Å; V21-K88 PolarHBondContact N-O 2.91Å; F84-K88 WeakPolarHBondContact O-CG 3.45Å; L85-K88 VanDerWaalsContact O-CB 3.24Å; L85-K88 WeakPolarHBondContact O-CB 3.37Å; L85-K88 WeakPolarHBondContact O-CG 3.32Å; L85-K88 PolarHBondContact O-N 3.38Å; V86-K88 PolarHBondContact O-N 2.81Å; K88-V110 HydrophobicContact CB-CG2 3.94Å; K88-V110 HydrophobicContact CG-CG2 4.48Å
89	Q	94.5	Very high	93.2	Very high	121 Å²	121	46.5 Å²	46.5	57%	0.565	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	130.4	169.1	-173.2	174.2	-7.2	0	0	109.5	M18 G19	M18-Q89 HydrophobicContact CE-CG 3.83Å; G19-Q89 CarbonylContact O-C 3.54Å; G19-Q89 WeakPolarHBondContact O-CA 3.28Å
90	V	96.2	Very high	92.8	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	150.1	-175.2	-67.6	0	0	0	0	110.4	M18 G19 V21 I32 L108 L109 V110	M18-V90 WeakPolarHBondContact CA-O 3.2Å; G19-V90 PolarHBondContact N-O 3.45Å; G19-V90 PolarHBondContact O-N 3.27Å; V21-V90 HydrophobicContact CG2-CB 4.29Å; V21-V90 HydrophobicContact CG2-CG1 3.6Å; V21-V90 HydrophobicContact CG2-CG2 3.69Å; I32-V90 HydrophobicContact CD1-CG2 4.36Å; I32-V90 HydrophobicContact CG1-CG2 4.49Å; I32-V90 HydrophobicContact CG2-CG2 4.19Å; V90-L108 HydrophobicContact CB-CD1 3.75Å; V90-L108 HydrophobicContact CB-CG 4.42Å; V90-L108 HydrophobicContact CG1-CD1 4.25Å; V90-L108 HydrophobicContact CG1-CG 4.47Å; V90-L108 HydrophobicContact CG2-CD1 3.74Å; V90-L109 CarbonylContact C-O 3.55Å; V90-L109 VanDerWaalsContact CA-O 3.27Å; V90-L109 WeakPolarHBondContact CA-O 3.28Å; V90-L109 WeakPolarHBondContact CB-O 3.09Å; V90-V110 HydrophobicContact CG1-CB 4.02Å; V90-V110 HydrophobicContact CG1-CG2 4.1Å
91	Q	95.5	Very high	92.3	Very high	73 Å²	73	52.9 Å²	52.9	34%	0.341	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129.8	166.9	-175.8	179.2	1	0	0	107.7	P16 K17 M18 L109	P16-Q91 HydrophobicContact CB-CG 3.75Å; K17-Q91 CarbonylContact O-C 3.52Å; K17-Q91 VanDerWaalsContact O-CA 3.32Å; K17-Q91 WeakPolarHBondContact O-CA 3.32Å; M18-Q91 HydrophobicContact CE-CB 4.32Å; M18-Q91 HydrophobicContact SD-CB 3.58Å; M18-Q91 VanDerWaalsContact SD-CB 3.58Å; M18-Q91 HydrophobicContact SD-CG 3.8Å; Q91-L109 HydrophobicContact CB-CB 4.29Å; Q91-L109 PolarHBondContact N-O 3.08Å; Q91-L109 PolarHBondContact O-N 2.79Å
92	F	94.6	Very high	91.9	Very high	16 Å²	16	55.1 Å²	55.1	7%	0.07	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	145.9	-178.6	67.5	-83.6	0	0	0	111.9	P16 K17 I32 L46 T107 L108	P16-F92 WeakPolarHBondContact CA-O 3.5Å; K17-F92 HydrophobicContact CB-CD1 4.28Å; K17-F92 HydrophobicContact CB-CD2 4.49Å; K17-F92 HydrophobicContact CB-CE1 3.74Å; K17-F92 HydrophobicContact CB-CE2 3.98Å; K17-F92 HydrophobicContact CB-CZ 3.58Å; K17-F92 HydrophobicContact CD-CE2 4.29Å; K17-F92 HydrophobicContact CD-CZ 4.22Å; K17-F92 PolarHBondContact N-O 2.99Å; K17-F92 WeakPolarHBondContact O-CD1 3.2Å; K17-F92 PolarHBondContact O-N 2.93Å; I32-F92 HydrophobicContact CD1-CB 3.94Å; I32-F92 HydrophobicContact CD1-CD1 3.72Å; I32-F92 HydrophobicContact CD1-CD2 4.17Å; I32-F92 HydrophobicContact CD1-CE1 4.23Å; I32-F92 HydrophobicContact CD1-CG 3.68Å; I32-F92 HydrophobicContact CG2-CD1 4.08Å; I32-F92 HydrophobicContact CG2-CE1 3.78Å; I32-F92 HydrophobicContact CG2-CZ 4.47Å; L46-F92 HydrophobicContact CD2-CB 3.74Å; L46-F92 HydrophobicContact CD2-CD2 4.21Å; L46-F92 HydrophobicContact CD2-CG 4.33Å; F92-T107 VanDerWaalsContact CA-O 3.25Å; F92-T107 WeakPolarHBondContact CA-O 3.02Å; F92-L108 HydrophobicContact CB-CD1 3.77Å
93	K	92.6	Very high	91.7	Very high	92 Å²	92	59.4 Å²	59.4	40%	0.4	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	122.7	178.5	-179.7	179.2	177.5	-173.2	0	108.6	G106 T107	K93-G106 CarbonylContact O-C 3.59Å; K93-G106 WeakPolarHBondContact O-CA 3.27Å; K93-T107 PolarHBondContact N-O 3.43Å; K93-T107 PolarHBondContact O-N 3.04Å
94	L	92.4	Very high	91.6	Very high	20 Å²	20	54.7 Å²	54.7	11%	0.105	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	134.2	170.8	-178.1	66.5	0	0	0	108.3	S11 T14 L46 E104	S11-L94 PolarHBondContact OG-O 3.34Å; T14-L94 PolarHBondContact OG1-O 3.42Å; L46-L94 HydrophobicContact CD1-CD1 4.35Å; L94-E104 HydrophobicContact CD1-CB 3.52Å; L94-E104 HydrophobicContact CD1-CG 3.73Å
95	E	90	Very high	91.5	Very high	45 Å²	45	53.1 Å²	53.1	21%	0.21	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-50.4	177.6	-70.3	175.8	-176.4	0	0	110.1	S11 S49 F105 T107	S11-E95 PolarHBondContact N-O 3.42Å; S11-E95 PolarHBondContact OG-O 2.64Å; S11-E95 VanDerWaalsContact OG-O 3.09Å; S49-E95 WeakPolarHBondContact CB-OE2 3.36Å; S49-E95 PolarHBondContact OG-OE2 3.3Å; E95-F105 PolarHBondContact N-O 3.42Å; E95-T107 WeakPolarHBondContact OE1-CB 3.15Å; E95-T107 PolarHBondContact OE1-OG1 2.97Å
96	Y	89.1	Confident	91.4	Very high	48 Å²	48	53.1 Å²	53.1	19%	0.188	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	158	178.1	61	-89	0	0	0	111.8	T9 I98 F105	T9-Y96 WeakPolarHBondContact O-CA 2.98Å; T9-Y96 WeakPolarHBondContact O-CB 3.28Å; Y96-I98 HydrophobicContact CE2-CG1 4.39Å; Y96-F105 HydrophobicContact CD1-CB 4.09Å; Y96-F105 HydrophobicContact CD2-CB 3.84Å; Y96-F105 HydrophobicContact CD2-CD2 4.22Å; Y96-F105 HydrophobicContact CD2-CG 4.26Å; Y96-F105 HydrophobicContact CE1-CB 3.65Å; Y96-F105 HydrophobicContact CE1-CG 4.4Å; Y96-F105 HydrophobicContact CE2-CB 3.39Å; Y96-F105 HydrophobicContact CE2-CD1 4.28Å; Y96-F105 AromaticContact CE2-CD2 3.59Å; Y96-F105 HydrophobicContact CE2-CD2 3.59Å; Y96-F105 HydrophobicContact CE2-CE2 4.48Å; Y96-F105 AromaticContact CE2-CG 3.48Å; Y96-F105 HydrophobicContact CE2-CG 3.48Å; Y96-F105 VanDerWaalsContact CE2-CG 3.48Å; Y96-F105 HydrophobicContact CG-CB 4.18Å; Y96-F105 AromaticContact CZ-CG 3.56Å; Y96-F105 PolarHBondContact N-O 3.1Å; Y96-F105 PolarHBondContact O-N 2.88Å
97	T	90.5	Very high	91.3	Very high	40 Å²	40	53.3 Å²	53.3	25%	0.245	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.4	172.8	-55.9	0	0	0	0	108.9	G8 T9 P99 R103 E104	G8-T97 WeakPolarHBondContact CA-O 3.45Å; T9-T97 PolarHBondContact N-O 3.46Å; T9-T97 PolarHBondContact O-N 3.3Å; T97-P99 WeakPolarHBondContact O-CD 3.36Å; T97-R103 WeakPolarHBondContact CA-O 3.37Å; T97-E104 HydrophobicContact CG2-CG 4.3Å
98	I	87.2	Confident	91.5	Very high	7 Å²	7	51 Å²	51	4%	0.036	26%	0.263	C	S	.	.			trans	-76.2	120.1	175.6	-64.7	-176	0	0	0	108.9	E6 Y96 N100 T101 G102 R103 F105	E6-I98 HydrophobicContact CB-CG2 3.93Å; E6-I98 VanDerWaalsContact CD-CG2 3.4Å; E6-I98 HydrophobicContact CG-CG2 4.11Å; E6-I98 WeakPolarHBondContact OE2-CG2 3.39Å; Y96-I98 HydrophobicContact CE2-CG1 4.39Å; I98-N100 PolarHBondContact O-N 3.47Å; I98-T101 WeakPolarHBondContact CB-OG1 3.09Å; I98-T101 HydrophobicContact CG2-CG2 4.42Å; I98-T101 WeakPolarHBondContact CG2-OG1 3.45Å; I98-G102 WeakPolarHBondContact O-CA 3.49Å; I98-G102 PolarHBondContact O-N 3.19Å; I98-R103 PolarHBondContact N-O 3Å; I98-F105 HydrophobicContact CD1-CD2 4.01Å; I98-F105 HydrophobicContact CD1-CE2 3.36Å; I98-F105 HydrophobicContact CD1-CZ 4.13Å; I98-F105 HydrophobicContact CG1-CD2 4.06Å; I98-F105 HydrophobicContact CG1-CE2 3.9Å
99	P	83.6	Confident	91.6	Very high	80 Å²	80	48.3 Å²	48.3	52%	0.519	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-43.2	-172.9	-27.7	35.2	0	0	0	114.6	T97	T97-P99 WeakPolarHBondContact O-CD 3.36Å
100	N	86.6	Confident	91.7	Very high	141 Å²	141	42.6 Å²	42.6	75%	0.754	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-33.7	-172.3	-65.1	-18.4	0	0	0	113.7	I98	I98-N100 PolarHBondContact O-N 3.47Å
101	T	86.6	Confident	91.5	Very high	70 Å²	70	49.5 Å²	49.5	43%	0.429	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-12.3	-177.3	60.6	0	0	0	0	112.8	I98 R103	I98-T101 WeakPolarHBondContact CB-OG1 3.09Å; I98-T101 HydrophobicContact CG2-CG2 4.42Å; I98-T101 WeakPolarHBondContact CG2-OG1 3.45Å; T101-R103 PolarHBondContact O-N 3.36Å; T101-R103 VanDerWaalsContact O-N 3.13Å; T101-R103 WeakPolarHBondContact OG1-CB 3.25Å; T101-R103 WeakPolarHBondContact OG1-CG 3.46Å; T101-R103 PolarHBondContact OG1-N 2.99Å
102	G	87.8	Confident	91	Very high	47 Å²	47	48.2 Å²	48.2	49%	0.485	25%	0.252	S	S	.	.			trans	64.4	7.9	-171.6	0	0	0	0	0	113.8	I98 E104	I98-G102 WeakPolarHBondContact O-CA 3.49Å; I98-G102 PolarHBondContact O-N 3.19Å; G102-E104 PolarHBondContact O-N 3.43Å
103	R	90.9	Very high	90.6	Very high	98 Å²	98	55.3 Å²	55.3	37%	0.37	29%	0.29	S	S	.	.			trans	-70.4	122	-175.6	-73.2	178.4	177.8	-137.6	-3	110.5	D27 T97 I98 T101 F105	D27-R103 IonicContact OD2-CZ 3.53Å; D27-R103 IonicContact OD2-NH1 3.68Å; D27-R103 PolarHBondContact OD2-NH1 3.44Å; D27-R103 IonicContact OD2-NH2 2.71Å; T97-R103 WeakPolarHBondContact CA-O 3.37Å; I98-R103 PolarHBondContact N-O 3Å; T101-R103 PolarHBondContact O-N 3.36Å; T101-R103 VanDerWaalsContact O-N 3.13Å; T101-R103 WeakPolarHBondContact OG1-CB 3.25Å; T101-R103 WeakPolarHBondContact OG1-CG 3.46Å; T101-R103 PolarHBondContact OG1-N 2.99Å; R103-F105 HydrophobicContact CB-CD2 4.42Å; R103-F105 HydrophobicContact CB-CE2 3.81Å
104	E	93.6	Very high	90.4	Very high	39 Å²	39	53.4 Å²	53.4	18%	0.182	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	128.4	175.4	-73.6	-165.9	173.3	0	0	110.7	R44 L46 S47 L94 T97 G102	R44-E104 VanDerWaalsContact CD-OE2 3.24Å; R44-E104 WeakPolarHBondContact CD-OE2 3.43Å; R44-E104 IonicContact CZ-OE1 3.8Å; R44-E104 IonicContact CZ-OE2 3.31Å; R44-E104 VanDerWaalsContact CZ-OE2 3.27Å; R44-E104 IonicContact NE-OE2 3.63Å; R44-E104 PolarHBondContact NE-OE2 2.8Å; R44-E104 IonicContact NH1-OE1 3.98Å; R44-E104 PolarHBondContact NH1-OE1 2.59Å; R44-E104 IonicContact NH1-OE2 2.85Å; R44-E104 PolarHBondContact NH1-OE2 2.91Å; R44-E104 IonicContact NH2-OE1 2.88Å; R44-E104 PolarHBondContact NH2-OE1 2.91Å; L46-E104 HydrophobicContact CD1-CB 4.4Å; S47-E104 WeakPolarHBondContact CB-O 3.33Å; S47-E104 PolarHBondContact N-O 3.02Å; S47-E104 PolarHBondContact OG-O 3.03Å; L94-E104 HydrophobicContact CD1-CB 3.52Å; L94-E104 HydrophobicContact CD1-CG 3.73Å; T97-E104 HydrophobicContact CG2-CG 4.3Å; G102-E104 PolarHBondContact O-N 3.43Å
105	F	92.9	Very high	90.3	Very high	8 Å²	8	56.6 Å²	56.6	4%	0.035	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	141	175.6	-76.8	-96.9	0	0	0	111.1	S47 E95 Y96 I98 R103	S47-F105 VanDerWaalsContact CB-CD1 3.41Å; S47-F105 CarbonylContact O-C 3.57Å; S47-F105 VanDerWaalsContact O-CA 3.28Å; S47-F105 WeakPolarHBondContact O-CA 3.36Å; E95-F105 PolarHBondContact N-O 3.42Å; Y96-F105 HydrophobicContact CD1-CB 4.09Å; Y96-F105 HydrophobicContact CD2-CB 3.84Å; Y96-F105 HydrophobicContact CD2-CD2 4.22Å; Y96-F105 HydrophobicContact CD2-CG 4.26Å; Y96-F105 HydrophobicContact CE1-CB 3.65Å; Y96-F105 HydrophobicContact CE1-CG 4.4Å; Y96-F105 HydrophobicContact CE2-CB 3.39Å; Y96-F105 HydrophobicContact CE2-CD1 4.28Å; Y96-F105 AromaticContact CE2-CD2 3.59Å; Y96-F105 HydrophobicContact CE2-CD2 3.59Å; Y96-F105 HydrophobicContact CE2-CE2 4.48Å; Y96-F105 AromaticContact CE2-CG 3.48Å; Y96-F105 HydrophobicContact CE2-CG 3.48Å; Y96-F105 VanDerWaalsContact CE2-CG 3.48Å; Y96-F105 HydrophobicContact CG-CB 4.18Å; Y96-F105 AromaticContact CZ-CG 3.56Å; Y96-F105 PolarHBondContact N-O 3.1Å; Y96-F105 PolarHBondContact O-N 2.88Å; I98-F105 HydrophobicContact CD1-CD2 4.01Å; I98-F105 HydrophobicContact CD1-CE2 3.36Å; I98-F105 HydrophobicContact CD1-CZ 4.13Å; I98-F105 HydrophobicContact CG1-CD2 4.06Å; I98-F105 HydrophobicContact CG1-CE2 3.9Å; R103-F105 HydrophobicContact CB-CD2 4.42Å; R103-F105 HydrophobicContact CB-CE2 3.81Å
106	G	93.1	Very high	90.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	-174.8	177.5	0	0	0	0	0	115.6	S47 S49 K93	S47-G106 PolarHBondContact O-N 2.93Å; S49-G106 PolarHBondContact N-O 2.8Å; S49-G106 PolarHBondContact OG-O 2.96Å; K93-G106 CarbonylContact O-C 3.59Å; K93-G106 WeakPolarHBondContact O-CA 3.27Å
107	T	93.8	Very high	90.7	Very high	22 Å²	22	57.1 Å²	57.1	14%	0.135	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	136	179.8	-79.1	0	0	0	0	110.6	F92 K93 E95 L109 N118	F92-T107 VanDerWaalsContact CA-O 3.25Å; F92-T107 WeakPolarHBondContact CA-O 3.02Å; K93-T107 PolarHBondContact N-O 3.43Å; K93-T107 PolarHBondContact O-N 3.04Å; E95-T107 WeakPolarHBondContact OE1-CB 3.15Å; E95-T107 PolarHBondContact OE1-OG1 2.97Å; T107-L109 HydrophobicContact CG2-CD2 3.7Å; T107-L109 HydrophobicContact CG2-CG 3.87Å; T107-N118 WeakPolarHBondContact CG2-ND2 3.49Å
108	L	95.9	Very high	90.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.7	174.3	-169.7	66.8	0	0	0	109.9	V30 I32 L46 L48 L85 V90 F92 V119	V30-L108 HydrophobicContact CG1-CD2 4.13Å; V30-L108 HydrophobicContact CG2-CD2 3.77Å; I32-L108 HydrophobicContact CD1-CD1 3.75Å; L46-L108 HydrophobicContact CD2-CD1 4.44Å; L48-L108 HydrophobicContact CD2-CB 3.65Å; L48-L108 HydrophobicContact CD2-CD2 4.14Å; L85-L108 HydrophobicContact CD1-CD2 4.2Å; V90-L108 HydrophobicContact CB-CD1 3.75Å; V90-L108 HydrophobicContact CB-CG 4.42Å; V90-L108 HydrophobicContact CG1-CD1 4.25Å; V90-L108 HydrophobicContact CG1-CG 4.47Å; V90-L108 HydrophobicContact CG2-CD1 3.74Å; F92-L108 HydrophobicContact CB-CD1 3.77Å; L108-V119 HydrophobicContact CB-CB 4.32Å; L108-V119 HydrophobicContact CB-CG2 4.14Å; L108-V119 HydrophobicContact CD2-CB 4.33Å; L108-V119 HydrophobicContact CD2-CG2 3.89Å; L108-V119 HydrophobicContact CG-CG2 3.94Å; L108-V119 WeakPolarHBondContact O-CG2 3.43Å; L108-V119 PolarHBondContact O-N 2.8Å
109	L	96.3	Very high	91.4	Very high	46 Å²	46	55.9 Å²	55.9	24%	0.241	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.6	179.1	-53.8	178.9	0	0	0	109.9	V90 Q91 T107 V116 C117 N118	V90-L109 CarbonylContact C-O 3.55Å; V90-L109 VanDerWaalsContact CA-O 3.27Å; V90-L109 WeakPolarHBondContact CA-O 3.28Å; V90-L109 WeakPolarHBondContact CB-O 3.09Å; Q91-L109 HydrophobicContact CB-CB 4.29Å; Q91-L109 PolarHBondContact N-O 3.08Å; Q91-L109 PolarHBondContact O-N 2.79Å; T107-L109 HydrophobicContact CG2-CD2 3.7Å; T107-L109 HydrophobicContact CG2-CG 3.87Å; L109-V116 HydrophobicContact CB-CG1 4.09Å; L109-V116 HydrophobicContact CD1-CG1 4.35Å; L109-C117 WeakPolarHBondContact CA-O 3.37Å; L109-N118 HydrophobicContact CD2-CB 3.71Å
110	V	95.5	Very high	91.9	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.6	176.2	65.4	0	0	0	0	109.4	F84 L85 K88 V90 I112 C117 V119	F84-V110 HydrophobicContact CD1-CG1 4.37Å; F84-V110 HydrophobicContact CE1-CG1 3.63Å; F84-V110 HydrophobicContact CZ-CG1 4.15Å; L85-V110 HydrophobicContact CD2-CB 4.18Å; L85-V110 HydrophobicContact CD2-CG1 3.98Å; L85-V110 HydrophobicContact CD2-CG2 4.43Å; K88-V110 HydrophobicContact CB-CG2 3.94Å; K88-V110 HydrophobicContact CG-CG2 4.48Å; V90-V110 HydrophobicContact CG1-CB 4.02Å; V90-V110 HydrophobicContact CG1-CG2 4.1Å; V110-I112 HydrophobicContact CG1-CD1 4.04Å; V110-I112 HydrophobicContact CG1-CG1 4.29Å; V110-I112 HydrophobicContact CG2-CD1 4.36Å; V110-I112 HydrophobicContact CG2-CG1 4.07Å; V110-C117 HydrophobicContact CG1-CB 4.22Å; V110-C117 PolarHBondContact N-O 3.42Å; V110-C117 PolarHBondContact O-N 3.49Å; V110-V119 HydrophobicContact CG1-CG2 4.19Å
111	K	93.3	Very high	92.4	Very high	146 Å²	146	46.8 Å²	46.8	64%	0.635	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.4	175.7	-170.8	175.7	-179.5	176.5	0	109.5	G114 T115 V116	K111-G114 WeakPolarHBondContact CE-O 3.11Å; K111-T115 WeakPolarHBondContact CA-O 3.36Å; K111-V116 HydrophobicContact CB-CG2 4.48Å; K111-V116 HydrophobicContact CG-CG2 4.33Å
112	I	84.2	Confident	92.8	Very high	46 Å²	46	47.2 Å²	47.2	24%	0.236	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.1	179.7	-60.8	176.5	0	0	0	108.1	F84 V110 G114 T115	F84-I112 HydrophobicContact CD1-CD1 4.41Å; F84-I112 HydrophobicContact CD2-CD1 3.71Å; F84-I112 HydrophobicContact CE1-CD1 3.92Å; F84-I112 HydrophobicContact CE2-CD1 3.13Å; F84-I112 HydrophobicContact CG-CD1 4.31Å; F84-I112 HydrophobicContact CZ-CD1 3.26Å; V110-I112 HydrophobicContact CG1-CD1 4.04Å; V110-I112 HydrophobicContact CG1-CG1 4.29Å; V110-I112 HydrophobicContact CG2-CD1 4.36Å; V110-I112 HydrophobicContact CG2-CG1 4.07Å; I112-G114 PolarHBondContact O-N 2.74Å; I112-G114 VanDerWaalsContact O-N 3.1Å; I112-T115 PolarHBondContact N-O 3.01Å; I112-T115 PolarHBondContact O-N 3.18Å
113	N	86.9	Confident	93.2	Very high	165 Å²	165	45 Å²	45	88%	0.882	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	36.4	-179.3	-58.1	-17	0	0	0	113.5	T115	N113-T115 VanDerWaalsContact C-N 3.3Å; N113-T115 PolarHBondContact O-N 3.49Å
114	G	87.6	Confident	93.5	Very high	53 Å²	53	40.4 Å²	40.4	55%	0.546	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	-21.5	-177.5	0	0	0	0	0	114.9	K111 I112	K111-G114 WeakPolarHBondContact CE-O 3.11Å; I112-G114 PolarHBondContact O-N 2.74Å; I112-G114 VanDerWaalsContact O-N 3.1Å
115	T	91.9	Very high	93.7	Very high	87 Å²	87	39.9 Å²	39.9	53%	0.534	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	126.5	-176.7	-50.5	0	0	0	0	111.6	K111 I112 N113	K111-T115 WeakPolarHBondContact CA-O 3.36Å; I112-T115 PolarHBondContact N-O 3.01Å; I112-T115 PolarHBondContact O-N 3.18Å; N113-T115 VanDerWaalsContact C-N 3.3Å; N113-T115 PolarHBondContact O-N 3.49Å
116	V	92.9	Very high	93.8	Very high	88 Å²	88	42.5 Å²	42.5	53%	0.533	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	122.3	171.5	-178.3	0	0	0	0	108.7	L109 K111	L109-V116 HydrophobicContact CB-CG1 4.09Å; L109-V116 HydrophobicContact CD1-CG1 4.35Å; K111-V116 HydrophobicContact CB-CG2 4.48Å; K111-V116 HydrophobicContact CG-CG2 4.33Å
117	C	94	Very high	94	Very high	16 Å²	16	42.5 Å²	42.5	11%	0.108	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.1	179.9	-62.8	0	0	0	0	109.8	F84 L109 V110 K122	F84-C117 HydrophobicContact CZ-CB 4.46Å; L109-C117 WeakPolarHBondContact CA-O 3.37Å; V110-C117 HydrophobicContact CG1-CB 4.22Å; V110-C117 PolarHBondContact N-O 3.42Å; V110-C117 PolarHBondContact O-N 3.49Å; C117-K122 HydrophobicContact CB-CG 4.23Å
118	N	95.2	Very high	94.1	Very high	20 Å²	20	42.1 Å²	42.1	11%	0.107	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	129.6	164.1	-170.8	-49.5	0	0	0	109.3	T107 L109 A120 D121 K122 R140	T107-N118 WeakPolarHBondContact CG2-ND2 3.49Å; L109-N118 HydrophobicContact CD2-CB 3.71Å; N118-A120 WeakPolarHBondContact OD1-CB 3.22Å; N118-A120 PolarHBondContact OD1-N 2.97Å; N118-D121 HydrophobicContact CB-CB 4.14Å; N118-D121 VanDerWaalsContact CB-OD2 3.28Å; N118-D121 WeakPolarHBondContact CB-OD2 3.39Å; N118-D121 PolarHBondContact O-N 3Å; N118-K122 PolarHBondContact O-N 2.9Å; N118-R140 PolarHBondContact ND2-NH2 2.75Å; N118-R140 PolarHBondContact OD1-NH2 3.05Å
119	V	96	Very high	94.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67.7	-37.8	-174.8	179.7	0	0	0	0	111.9	L48 M81 L85 L108 V110 D121 K122 L123	L48-V119 HydrophobicContact CD1-CB 4.48Å; L48-V119 HydrophobicContact CD1-CG1 3.9Å; L48-V119 HydrophobicContact CD2-CB 4.3Å; L48-V119 HydrophobicContact CD2-CG1 4.39Å; M81-V119 HydrophobicContact CE-CG1 4.33Å; L85-V119 HydrophobicContact CD1-CB 4.5Å; L85-V119 HydrophobicContact CD1-CG1 3.57Å; L85-V119 HydrophobicContact CD1-CG2 4.12Å; L85-V119 HydrophobicContact CD2-CG1 4.39Å; L85-V119 HydrophobicContact CD2-CG2 3.58Å; L85-V119 HydrophobicContact CG-CG1 4.47Å; L85-V119 HydrophobicContact CG-CG2 4.47Å; L108-V119 HydrophobicContact CB-CB 4.32Å; L108-V119 HydrophobicContact CB-CG2 4.14Å; L108-V119 HydrophobicContact CD2-CB 4.33Å; L108-V119 HydrophobicContact CD2-CG2 3.89Å; L108-V119 HydrophobicContact CG-CG2 3.94Å; L108-V119 WeakPolarHBondContact O-CG2 3.43Å; L108-V119 PolarHBondContact O-N 2.8Å; V110-V119 HydrophobicContact CG1-CG2 4.19Å; V119-D121 VanDerWaalsContact C-N 3.33Å; V119-D121 PolarHBondContact O-N 3.17Å; V119-K122 PolarHBondContact O-N 3.43Å; V119-L123 HydrophobicContact CG1-CD1 4.26Å; V119-L123 PolarHBondContact O-N 3.18Å
120	A	95.2	Very high	94	Very high	4 Å²	4	44.3 Å²	44.3	3%	0.033	24%	0.244	C	C	.	.	H	α-helix	trans	-63.3	-41	177.3	0	0	0	0	0	111.2	V51 N118 K122 L123 V124	V51-A120 HydrophobicContact CG1-CB 3.93Å; V51-A120 HydrophobicContact CG2-CB 4.17Å; N118-A120 WeakPolarHBondContact OD1-CB 3.22Å; N118-A120 PolarHBondContact OD1-N 2.97Å; A120-K122 VanDerWaalsContact C-N 3.32Å; A120-K122 PolarHBondContact O-N 3.48Å; A120-L123 PolarHBondContact O-N 2.87Å; A120-V124 WeakPolarHBondContact O-CG2 3.46Å; A120-V124 PolarHBondContact O-N 2.89Å
121	D	96.3	Very high	93.9	Very high	26 Å²	26	46.1 Å²	46.1	14%	0.139	25%	0.253	C	S	.	.	H	α-helix	trans	-61.3	-43	177	-66.6	-13	0	0	0	111.5	N118 V119 V124 S125 R140 F143 L144 L147	N118-D121 HydrophobicContact CB-CB 4.14Å; N118-D121 VanDerWaalsContact CB-OD2 3.28Å; N118-D121 WeakPolarHBondContact CB-OD2 3.39Å; N118-D121 PolarHBondContact O-N 3Å; V119-D121 VanDerWaalsContact C-N 3.33Å; V119-D121 PolarHBondContact O-N 3.17Å; D121-V124 PolarHBondContact O-N 3.09Å; D121-S125 VanDerWaalsContact O-CB 3.32Å; D121-S125 WeakPolarHBondContact O-CB 3.4Å; D121-S125 PolarHBondContact O-N 2.92Å; D121-S125 PolarHBondContact O-OG 3.41Å; D121-R140 VanDerWaalsContact CG-NH1 3.25Å; D121-R140 VanDerWaalsContact CG-NH2 3.28Å; D121-R140 IonicContact OD1-CZ 2.61Å; D121-R140 IonicContact OD1-NH1 3.94Å; D121-R140 PolarHBondContact OD1-NH1 3.46Å; D121-R140 IonicContact OD1-NH2 3.02Å; D121-R140 PolarHBondContact OD1-NH2 2.86Å; D121-R140 IonicContact OD2-CZ 3.14Å; D121-R140 IonicContact OD2-NH1 2.69Å; D121-R140 PolarHBondContact OD2-NH1 3.43Å; D121-R140 IonicContact OD2-NH2 2.74Å; D121-R140 PolarHBondContact OD2-NH2 3.05Å; D121-F143 WeakPolarHBondContact OD2-CE1 3.39Å; D121-L144 WeakPolarHBondContact OD1-CD2 3.45Å; D121-L147 HydrophobicContact CB-CD1 3.72Å
122	K	95.6	Very high	93.8	Very high	80 Å²	80	42.6 Å²	42.6	35%	0.348	24%	0.236	S	C	.	.	H	α-helix	trans	-66.7	-42.8	178.9	-70.2	-62.2	-174	-177.5	0	112.1	W80 F84 C117 N118 V119 A120 V124 S125 E126	W80-K122 HydrophobicContact CH2-CB 3.36Å; W80-K122 HydrophobicContact CH2-CG 4.35Å; W80-K122 HydrophobicContact CZ2-CB 3.75Å; W80-K122 HydrophobicContact CZ3-CB 4.39Å; F84-K122 HydrophobicContact CE1-CG 4.46Å; F84-K122 HydrophobicContact CZ-CG 4.29Å; C117-K122 HydrophobicContact CB-CG 4.23Å; N118-K122 PolarHBondContact O-N 2.9Å; V119-K122 PolarHBondContact O-N 3.43Å; A120-K122 VanDerWaalsContact C-N 3.32Å; A120-K122 PolarHBondContact O-N 3.48Å; K122-V124 PolarHBondContact O-N 3.31Å; K122-S125 WeakPolarHBondContact CA-OG 3.32Å; K122-S125 PolarHBondContact O-N 3.39Å; K122-S125 PolarHBondContact O-OG 3.43Å; K122-S125 VanDerWaalsContact O-OG 3.04Å; K122-E126 WeakPolarHBondContact O-CG 3.19Å; K122-E126 PolarHBondContact O-N 2.96Å
123	L	96.7	Very high	93.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.5	-43.2	175.5	-78	168.2	0	0	0	112.9	L48 V53 W80 M81 V119 A120 E126 G127 L128 A129	L48-L123 HydrophobicContact CD1-CD1 3.45Å; L48-L123 VanDerWaalsContact CD1-CD1 3.45Å; V53-L123 HydrophobicContact CG2-CD1 4.13Å; W80-L123 HydrophobicContact CD2-CD2 4.39Å; W80-L123 HydrophobicContact CE3-CD2 3.53Å; W80-L123 HydrophobicContact CE3-CG 4.11Å; W80-L123 HydrophobicContact CZ3-CD2 3.82Å; W80-L123 HydrophobicContact CZ3-CG 3.86Å; M81-L123 HydrophobicContact CE-CD1 4.22Å; M81-L123 HydrophobicContact CG-CD1 4.12Å; M81-L123 HydrophobicContact CG-CD2 3.82Å; M81-L123 HydrophobicContact CG-CG 4.37Å; M81-L123 HydrophobicContact SD-CD1 3.8Å; M81-L123 HydrophobicContact SD-CD2 4.3Å; V119-L123 HydrophobicContact CG1-CD1 4.26Å; V119-L123 PolarHBondContact O-N 3.18Å; A120-L123 PolarHBondContact O-N 2.87Å; L123-E126 PolarHBondContact O-N 2.96Å; L123-G127 PolarHBondContact O-N 3.02Å; L123-L128 HydrophobicContact CD2-CB 3.92Å; L123-L128 HydrophobicContact CD2-CD1 4.48Å; L123-L128 PolarHBondContact O-N 2.86Å; L123-A129 HydrophobicContact CB-CB 3.8Å; L123-A129 PolarHBondContact O-N 2.76Å
124	V	97.4	Very high	93.7	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-66.7	-45.1	177.9	172.5	0	0	0	0	110.9	V51 A120 D121 K122 E126 G127 A129 L144 L147 A148 A151	V51-V124 HydrophobicContact CG1-CG2 3.64Å; A120-V124 WeakPolarHBondContact O-CG2 3.46Å; A120-V124 PolarHBondContact O-N 2.89Å; D121-V124 PolarHBondContact O-N 3.09Å; K122-V124 PolarHBondContact O-N 3.31Å; V124-E126 VanDerWaalsContact C-N 3.26Å; V124-E126 PolarHBondContact O-N 3.42Å; V124-G127 PolarHBondContact O-N 3.44Å; V124-A129 HydrophobicContact CG2-CB 4.39Å; V124-L144 HydrophobicContact CB-CD2 4.41Å; V124-L144 HydrophobicContact CG2-CD2 4.16Å; V124-L147 HydrophobicContact CG1-CB 3.96Å; V124-A148 HydrophobicContact CG1-CB 3.71Å; V124-A151 VanDerWaalsContact O-CB 3.29Å; V124-A151 WeakPolarHBondContact O-CB 3.46Å
125	S	96.6	Very high	93.3	Very high	27 Å²	27	46.9 Å²	46.9	19%	0.189	25%	0.246	C	C	.	.	H	α-helix	trans	-67.9	-20.9	179.2	60.2	0	0	0	0	114.4	D121 K122 K156	D121-S125 VanDerWaalsContact O-CB 3.32Å; D121-S125 WeakPolarHBondContact O-CB 3.4Å; D121-S125 PolarHBondContact O-N 2.92Å; D121-S125 PolarHBondContact O-OG 3.41Å; K122-S125 WeakPolarHBondContact CA-OG 3.32Å; K122-S125 PolarHBondContact O-N 3.39Å; K122-S125 PolarHBondContact O-OG 3.43Å; K122-S125 VanDerWaalsContact O-OG 3.04Å; S125-K156 WeakPolarHBondContact O-CD 3.06Å
126	E	96.5	Very high	92.7	Very high	64 Å²	64	49.5 Å²	49.5	30%	0.299	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	0.9	170.1	-64.5	-53	152	0	0	113.7	K122 L123 V124 L128 K156 G157	K122-E126 WeakPolarHBondContact O-CG 3.19Å; K122-E126 PolarHBondContact O-N 2.96Å; L123-E126 PolarHBondContact O-N 2.96Å; V124-E126 VanDerWaalsContact C-N 3.26Å; V124-E126 PolarHBondContact O-N 3.42Å; E126-L128 VanDerWaalsContact C-N 3.3Å; E126-L128 HydrophobicContact CB-CD1 3.97Å; E126-L128 HydrophobicContact CB-CG 4.13Å; E126-L128 PolarHBondContact O-N 2.78Å; E126-K156 VanDerWaalsContact CD-NZ 3.3Å; E126-K156 IonicContact OE1-NZ 3.11Å; E126-K156 PolarHBondContact OE1-NZ 3.2Å; E126-K156 VanDerWaalsContact OE1-NZ 3.11Å; E126-K156 IonicContact OE2-NZ 2.86Å; E126-K156 PolarHBondContact OE2-NZ 3.18Å; E126-G157 PolarHBondContact O-N 2.85Å
127	G	96.7	Very high	92.2	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	27.4	-179.9	0	0	0	0	0	113.8	L123 V124 K158	L123-G127 PolarHBondContact O-N 3.02Å; V124-G127 PolarHBondContact O-N 3.44Å; G127-K158 WeakPolarHBondContact O-CG 3.45Å; G127-K158 PolarHBondContact O-N 2.89Å
128	L	96.2	Very high	91.9	Very high	13 Å²	13	54 Å²	54	7%	0.068	27%	0.269	C	S	.	.	S	Bend	trans	-106.3	-3.9	-176.7	-64.1	174.3	0	0	0	113.2	P54 E76 A77 W80 L123 E126	P54-L128 VanDerWaalsContact CD-O 3.23Å; P54-L128 WeakPolarHBondContact CD-O 3.19Å; E76-L128 HydrophobicContact CB-CD2 4.13Å; A77-L128 HydrophobicContact CB-CB 3.99Å; A77-L128 HydrophobicContact CB-CD2 4.44Å; W80-L128 HydrophobicContact CB-CD1 3.62Å; W80-L128 HydrophobicContact CD2-CD1 4.19Å; W80-L128 HydrophobicContact CG-CD1 3.61Å; L123-L128 HydrophobicContact CD2-CB 3.92Å; L123-L128 HydrophobicContact CD2-CD1 4.48Å; L123-L128 PolarHBondContact O-N 2.86Å; E126-L128 VanDerWaalsContact C-N 3.3Å; E126-L128 HydrophobicContact CB-CD1 3.97Å; E126-L128 HydrophobicContact CB-CG 4.13Å; E126-L128 PolarHBondContact O-N 2.78Å
129	A	95.8	Very high	91.6	Very high	2 Å²	2	61.1 Å²	61.1	2%	0.017	30%	0.302	C	S	.	.			trans	-143.7	153.1	173.9	0	0	0	0	0	111.2	V51 V52 V53 L123 V124	V51-A129 HydrophobicContact CB-CB 4.18Å; V52-A129 WeakPolarHBondContact O-CA 3.44Å; V53-A129 HydrophobicContact CG2-CB 4.16Å; L123-A129 HydrophobicContact CB-CB 3.8Å; L123-A129 PolarHBondContact O-N 2.76Å; V124-A129 HydrophobicContact CG2-CB 4.39Å
130	E	94.3	Very high	91.2	Very high	91 Å²	91	63.7 Å²	63.7	43%	0.425	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	158.6	172.3	-67.6	-171.2	165.8	0	0	111.7	V51 V52 R132 K158	V51-E130 CarbonylContact C-O 3.55Å; V51-E130 WeakPolarHBondContact CA-O 3.44Å; V52-E130 PolarHBondContact N-O 3.42Å; V52-E130 PolarHBondContact O-N 3.41Å; E130-R132 PolarHBondContact O-N 2.94Å; E130-K158 WeakPolarHBondContact OE1-CE 3.42Å; E130-K158 IonicContact OE1-NZ 2.55Å; E130-K158 PolarHBondContact OE1-NZ 3.01Å
131	L	93.4	Very high	91	Very high	38 Å²	38	64.1 Å²	64.1	20%	0.199	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126.5	166.9	-81.7	162	0	0	0	110.4	L144 A148	L131-L144 HydrophobicContact CD1-CB 4.41Å; L131-L144 HydrophobicContact CD2-CB 3.4Å; L131-L144 VanDerWaalsContact CD2-CB 3.4Å; L131-L144 HydrophobicContact CD2-CD1 3.93Å; L131-L144 HydrophobicContact CD2-CG 4.26Å; L131-L144 HydrophobicContact CG-CB 4.32Å; L131-A148 HydrophobicContact CD1-CB 4.11Å
132	R	90.9	Very high	90.8	Very high	72 Å²	72	68.9 Å²	68.9	27%	0.272	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-64.2	129.5	170	-175.4	173.1	-63.3	-129.9	-6.3	108.9	Y50 V51 V52 E130 V134	Y50-R132 WeakPolarHBondContact O-CB 3.43Å; Y50-R132 PolarHBondContact O-N 3.37Å; V51-R132 PolarHBondContact O-NE 2.97Å; V51-R132 PolarHBondContact O-NH2 2.88Å; V52-R132 HydrophobicContact CG2-CB 3.95Å; V52-R132 HydrophobicContact CG2-CG 4.22Å; E130-R132 PolarHBondContact O-N 2.94Å; R132-V134 PolarHBondContact O-N 2.71Å
133	P	86.6	Confident	90.8	Very high	122 Å²	122	69.4 Å²	69.4	79%	0.792	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-58.9	124.8	173.5	-24.3	34	0	0	0	111.1
134	V	81.7	Confident	90.7	Very high	53 Å²	53	69.4 Å²	69.4	32%	0.321	33%	0.334	S	S	.	.			trans	-123.7	148.8	176.5	-63.6	0	0	0	0	110.4	R132 I136 K137 H141	R132-V134 PolarHBondContact O-N 2.71Å; V134-I136 VanDerWaalsContact CG2-O 3.22Å; V134-I136 WeakPolarHBondContact CG2-O 3.15Å; V134-K137 HydrophobicContact CG2-CG 4.43Å; V134-H141 HydrophobicContact CG2-CB 4.48Å; V134-H141 WeakPolarHBondContact CG2-CD2 3.38Å
135	K	80.2	Confident	90.6	Very high	179 Å²	179	71.4 Å²	71.4	78%	0.778	35%	0.349	S	S	*	.	S	Bend	trans	-72.5	-36.9	175.6	-67.5	-174.9	-179.2	180	0	112.3
136	I	79.4	Confident	90.6	Very high	142 Å²	142	76.4 Å²	76.4	73%	0.728	37%	0.369	S	S	*	.	S	Bend	trans	-113.4	119.4	-178.4	-59.5	170.8	0	0	0	107.8	V134 D138	V134-I136 VanDerWaalsContact CG2-O 3.22Å; V134-I136 WeakPolarHBondContact CG2-O 3.15Å; I136-D138 PolarHBondContact O-N 3.25Å
137	K	81.5	Confident	90.6	Very high	141 Å²	141	75.2 Å²	75.2	61%	0.613	36%	0.364	S	S	*	.			trans	-90.8	88.2	177.1	-63.2	-176.6	-179.7	-179.6	0	109.6	V134 H141	V134-K137 HydrophobicContact CG2-CG 4.43Å; K137-H141 HydrophobicContact CB-CB 4.48Å
138	D	87.4	Confident	90.5	Very high	58 Å²	58	76.1 Å²	76.1	31%	0.31	37%	0.372	S	S	.	.			trans	-71.4	177.2	174	70.4	-15.8	0	0	0	112.2	Y50 I136 R140 H141 K142	Y50-D138 PolarHBondContact OH-OD2 2.72Å; I136-D138 PolarHBondContact O-N 3.25Å; D138-R140 PolarHBondContact O-N 3.26Å; D138-H141 PolarHBondContact O-N 3.13Å; D138-H141 VanDerWaalsContact OD1-CB 3.24Å; D138-H141 WeakPolarHBondContact OD1-CB 2.99Å; D138-H141 PolarHBondContact OD1-N 3.42Å; D138-K142 WeakPolarHBondContact O-CG 3.4Å; D138-K142 PolarHBondContact O-N 3.32Å
139	E	88.9	Confident	90.5	Very high	169 Å²	169	78.3 Å²	78.3	79%	0.79	39%	0.392	S	S	*	.	H	α-helix	trans	-58.4	-36.7	179.6	-67.1	-177.3	171.1	0	0	112.2	K142 F143	E139-K142 PolarHBondContact O-N 2.89Å; E139-F143 PolarHBondContact O-N 2.97Å
140	R	88.6	Confident	90.5	Very high	55 Å²	55	81 Å²	81	21%	0.208	41%	0.414	C	S	.	.	H	α-helix	trans	-64.1	-45.1	177.6	-175	60.9	175.9	146.9	13.9	111.7	Y50 N118 D121 D138 K142 F143 L144	Y50-R140 HydrophobicContact CD2-CG 4.12Å; Y50-R140 HydrophobicContact CE1-CG 4.45Å; Y50-R140 HydrophobicContact CE2-CG 3.99Å; Y50-R140 HydrophobicContact CG-CG 4.44Å; N118-R140 PolarHBondContact ND2-NH2 2.75Å; N118-R140 PolarHBondContact OD1-NH2 3.05Å; D121-R140 VanDerWaalsContact CG-NH1 3.25Å; D121-R140 VanDerWaalsContact CG-NH2 3.28Å; D121-R140 IonicContact OD1-CZ 2.61Å; D121-R140 IonicContact OD1-NH1 3.94Å; D121-R140 PolarHBondContact OD1-NH1 3.46Å; D121-R140 IonicContact OD1-NH2 3.02Å; D121-R140 PolarHBondContact OD1-NH2 2.86Å; D121-R140 IonicContact OD2-CZ 3.14Å; D121-R140 IonicContact OD2-NH1 2.69Å; D121-R140 PolarHBondContact OD2-NH1 3.43Å; D121-R140 IonicContact OD2-NH2 2.74Å; D121-R140 PolarHBondContact OD2-NH2 3.05Å; D138-R140 PolarHBondContact O-N 3.26Å; R140-K142 VanDerWaalsContact C-N 3.34Å; R140-F143 PolarHBondContact O-N 2.97Å; R140-L144 HydrophobicContact CG-CD1 4.37Å; R140-L144 PolarHBondContact O-N 3.4Å
141	H	90.9	Very high	90.6	Very high	13 Å²	13	76.7 Å²	76.7	6%	0.06	39%	0.394	C	S	.	.	H	α-helix	trans	-62.4	-40	174.6	-177	-71.9	0	0	0	111.8	Y50 V134 K137 D138 L144 S145	Y50-H141 HydrophobicContact CD1-CB 4.48Å; V134-H141 HydrophobicContact CG2-CB 4.48Å; V134-H141 WeakPolarHBondContact CG2-CD2 3.38Å; K137-H141 HydrophobicContact CB-CB 4.48Å; D138-H141 PolarHBondContact O-N 3.13Å; D138-H141 VanDerWaalsContact OD1-CB 3.24Å; D138-H141 WeakPolarHBondContact OD1-CB 2.99Å; D138-H141 PolarHBondContact OD1-N 3.42Å; H141-L144 PolarHBondContact O-N 3.21Å; H141-S145 PolarHBondContact CE1-OG 3.33Å; H141-S145 PolarHBondContact ND1-OG 2.92Å; H141-S145 WeakPolarHBondContact O-CB 3.46Å; H141-S145 PolarHBondContact O-N 3.07Å; H141-S145 PolarHBondContact O-OG 3.3Å
142	K	92.3	Very high	90.8	Very high	125 Å²	125	78.3 Å²	78.3	54%	0.543	41%	0.406	S	S	.	.	H	α-helix	trans	-61.5	-49.2	176.3	-69.7	176.8	-176	177.2	0	111.5	D138 E139 R140 L144 S145 E146	D138-K142 WeakPolarHBondContact O-CG 3.4Å; D138-K142 PolarHBondContact O-N 3.32Å; E139-K142 PolarHBondContact O-N 2.89Å; R140-K142 VanDerWaalsContact C-N 3.34Å; K142-L144 PolarHBondContact O-N 2.65Å; K142-S145 WeakPolarHBondContact O-CA 3.31Å; K142-S145 VanDerWaalsContact O-CB 3.28Å; K142-S145 WeakPolarHBondContact O-CB 3.22Å; K142-S145 PolarHBondContact O-N 3.18Å; K142-E146 PolarHBondContact O-N 2.9Å; K142-E146 VanDerWaalsContact O-N 3.09Å
143	F	94.6	Very high	91	Very high	91 Å²	91	79 Å²	79	40%	0.399	43%	0.426	S	S	.	.	H	α-helix	trans	-57.7	-45.8	176.7	175.4	-103	0	0	0	112.7	D121 E139 R140 S145 E146 L147	D121-F143 WeakPolarHBondContact OD2-CE1 3.39Å; E139-F143 PolarHBondContact O-N 2.97Å; R140-F143 PolarHBondContact O-N 2.97Å; F143-S145 VanDerWaalsContact C-N 3.27Å; F143-S145 PolarHBondContact O-N 3.47Å; F143-E146 WeakPolarHBondContact O-CB 3.36Å; F143-E146 PolarHBondContact O-N 3.05Å; F143-L147 HydrophobicContact CD1-CD1 4.22Å; F143-L147 HydrophobicContact CE1-CD1 3.58Å; F143-L147 HydrophobicContact CE1-CG 4.24Å; F143-L147 HydrophobicContact CZ-CD1 3.9Å; F143-L147 HydrophobicContact CZ-CD2 4.46Å; F143-L147 HydrophobicContact CZ-CG 4.25Å; F143-L147 PolarHBondContact O-N 2.87Å; F143-L147 VanDerWaalsContact O-N 3.14Å
144	L	95	Very high	91.5	Very high	0 Å²	0	76 Å²	76	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-65	-31.2	175.5	-76.1	168.5	0	0	0	112.6	Y50 D121 V124 L131 R140 H141 K142 E146 L147 A148	Y50-L144 VanDerWaalsContact CB-CD1 3.43Å; Y50-L144 HydrophobicContact CG-CD1 4Å; D121-L144 WeakPolarHBondContact OD1-CD2 3.45Å; V124-L144 HydrophobicContact CB-CD2 4.41Å; V124-L144 HydrophobicContact CG2-CD2 4.16Å; L131-L144 HydrophobicContact CD1-CB 4.41Å; L131-L144 HydrophobicContact CD2-CB 3.4Å; L131-L144 VanDerWaalsContact CD2-CB 3.4Å; L131-L144 HydrophobicContact CD2-CD1 3.93Å; L131-L144 HydrophobicContact CD2-CG 4.26Å; L131-L144 HydrophobicContact CG-CB 4.32Å; R140-L144 HydrophobicContact CG-CD1 4.37Å; R140-L144 PolarHBondContact O-N 3.4Å; H141-L144 PolarHBondContact O-N 3.21Å; K142-L144 PolarHBondContact O-N 2.65Å; L144-E146 VanDerWaalsContact C-N 3.35Å; L144-L147 HydrophobicContact CD2-CD1 4.44Å; L144-L147 PolarHBondContact O-N 2.95Å; L144-A148 WeakPolarHBondContact O-CB 3.24Å; L144-A148 PolarHBondContact O-N 2.67Å
145	S	94.7	Very high	92.2	Very high	44 Å²	44	80.9 Å²	80.9	31%	0.308	43%	0.425	S	S	.	.	H	α-helix	trans	-65.4	-37.8	174.9	-56.2	0	0	0	0	111.9	H141 K142 F143 A148 A149	H141-S145 PolarHBondContact CE1-OG 3.33Å; H141-S145 PolarHBondContact ND1-OG 2.92Å; H141-S145 WeakPolarHBondContact O-CB 3.46Å; H141-S145 PolarHBondContact O-N 3.07Å; H141-S145 PolarHBondContact O-OG 3.3Å; K142-S145 WeakPolarHBondContact O-CA 3.31Å; K142-S145 VanDerWaalsContact O-CB 3.28Å; K142-S145 WeakPolarHBondContact O-CB 3.22Å; K142-S145 PolarHBondContact O-N 3.18Å; F143-S145 VanDerWaalsContact C-N 3.27Å; F143-S145 PolarHBondContact O-N 3.47Å; S145-A148 PolarHBondContact O-N 2.91Å; S145-A149 WeakPolarHBondContact O-CB 3.41Å; S145-A149 PolarHBondContact O-N 2.85Å
146	E	96.1	Very high	92.9	Very high	133 Å²	133	76 Å²	76	62%	0.621	40%	0.404	S	S	*	.	H	α-helix	trans	-65.8	-43.9	173.9	-67.3	169.6	-171.1	0	0	111.5	K142 F143 L144 A148 A149 A150	K142-E146 PolarHBondContact O-N 2.9Å; K142-E146 VanDerWaalsContact O-N 3.09Å; F143-E146 WeakPolarHBondContact O-CB 3.36Å; F143-E146 PolarHBondContact O-N 3.05Å; L144-E146 VanDerWaalsContact C-N 3.35Å; E146-A148 VanDerWaalsContact C-N 3.32Å; E146-A148 PolarHBondContact O-N 3.37Å; E146-A149 PolarHBondContact O-N 2.89Å; E146-A150 WeakPolarHBondContact O-CB 3.44Å; E146-A150 PolarHBondContact O-N 2.86Å
147	L	96.7	Very high	93.6	Very high	38 Å²	38	70.3 Å²	70.3	20%	0.199	38%	0.38	C	S	.	.	H	α-helix	trans	-61.4	-40.2	174.2	-67.6	-177.8	0	0	0	112.3	D121 V124 F143 L144 A150 A151	D121-L147 HydrophobicContact CB-CD1 3.72Å; V124-L147 HydrophobicContact CG1-CB 3.96Å; F143-L147 HydrophobicContact CD1-CD1 4.22Å; F143-L147 HydrophobicContact CE1-CD1 3.58Å; F143-L147 HydrophobicContact CE1-CG 4.24Å; F143-L147 HydrophobicContact CZ-CD1 3.9Å; F143-L147 HydrophobicContact CZ-CD2 4.46Å; F143-L147 HydrophobicContact CZ-CG 4.25Å; F143-L147 PolarHBondContact O-N 2.87Å; F143-L147 VanDerWaalsContact O-N 3.14Å; L144-L147 HydrophobicContact CD2-CD1 4.44Å; L144-L147 PolarHBondContact O-N 2.95Å; L147-A150 PolarHBondContact O-N 2.99Å; L147-A151 PolarHBondContact O-N 3.48Å
148	A	95.7	Very high	94.1	Very high	19 Å²	19	66 Å²	66	16%	0.157	36%	0.361	C	S	.	.	H	α-helix	trans	-64.9	-45.1	177	0	0	0	0	0	111.4	V124 L131 L144 S145 E146 A150 A151 V152	V124-A148 HydrophobicContact CG1-CB 3.71Å; L131-A148 HydrophobicContact CD1-CB 4.11Å; L144-A148 WeakPolarHBondContact O-CB 3.24Å; L144-A148 PolarHBondContact O-N 2.67Å; S145-A148 PolarHBondContact O-N 2.91Å; E146-A148 VanDerWaalsContact C-N 3.32Å; E146-A148 PolarHBondContact O-N 3.37Å; A148-A150 VanDerWaalsContact C-N 3.31Å; A148-A150 PolarHBondContact O-N 2.86Å; A148-A151 PolarHBondContact O-N 2.85Å; A148-V152 WeakPolarHBondContact O-CG2 3.32Å; A148-V152 PolarHBondContact O-N 2.85Å
149	A	95.7	Very high	94.5	Very high	59 Å²	59	66.9 Å²	66.9	49%	0.488	36%	0.36	S	S	.	.	H	α-helix	trans	-61.2	-39.8	175.7	0	0	0	0	0	111.9	S145 E146 V152 A153	S145-A149 WeakPolarHBondContact O-CB 3.41Å; S145-A149 PolarHBondContact O-N 2.85Å; E146-A149 PolarHBondContact O-N 2.89Å; A149-V152 PolarHBondContact O-N 2.89Å; A149-A153 WeakPolarHBondContact O-CB 3.46Å; A149-A153 PolarHBondContact O-N 2.97Å
150	A	97	Very high	94.7	Very high	59 Å²	59	60.2 Å²	60.2	49%	0.488	33%	0.332	S	S	.	.	H	α-helix	trans	-64.8	-41.2	175.1	0	0	0	0	0	112.3	E146 L147 A148 A153 A154	E146-A150 WeakPolarHBondContact O-CB 3.44Å; E146-A150 PolarHBondContact O-N 2.86Å; L147-A150 PolarHBondContact O-N 2.99Å; A148-A150 VanDerWaalsContact C-N 3.31Å; A148-A150 PolarHBondContact O-N 2.86Å; A150-A153 PolarHBondContact O-N 2.83Å; A150-A154 VanDerWaalsContact O-CB 3.24Å; A150-A154 WeakPolarHBondContact O-CB 3.34Å; A150-A154 PolarHBondContact O-N 2.84Å
151	A	96.2	Very high	94.9	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.008	35%	0.353	C	S	.	.	H	α-helix	trans	-65.1	-38.3	176.3	0	0	0	0	0	112.4	V124 L147 A148 A154 R155 K156	V124-A151 VanDerWaalsContact O-CB 3.29Å; V124-A151 WeakPolarHBondContact O-CB 3.46Å; L147-A151 PolarHBondContact O-N 3.48Å; A148-A151 PolarHBondContact O-N 2.85Å; A151-A154 CarbonylContact O-C 3.56Å; A151-A154 PolarHBondContact O-N 2.83Å; A151-R155 PolarHBondContact O-N 3.43Å; A151-K156 PolarHBondContact O-N 3.3Å
152	V	96.1	Very high	95	Very high	72 Å²	72	67.2 Å²	67.2	44%	0.436	37%	0.374	S	S	.	.	H	α-helix	trans	-64.1	-49.3	173.3	171.9	0	0	0	0	110.7	A148 A149 A154 R155 W159	A148-V152 WeakPolarHBondContact O-CG2 3.32Å; A148-V152 PolarHBondContact O-N 2.85Å; A149-V152 PolarHBondContact O-N 2.89Å; V152-A154 VanDerWaalsContact C-N 3.25Å; V152-A154 PolarHBondContact O-N 3.26Å; V152-R155 PolarHBondContact O-N 2.65Å; V152-W159 HydrophobicContact CB-CG 4.4Å; V152-W159 HydrophobicContact CG2-CB 4.36Å; V152-W159 HydrophobicContact CG2-CD2 3.56Å; V152-W159 HydrophobicContact CG2-CE3 4.04Å; V152-W159 HydrophobicContact CG2-CG 3.71Å; V152-W159 HydrophobicContact CG2-CZ2 4.22Å
153	A	95.9	Very high	95	Very high	85 Å²	85	65.5 Å²	65.5	70%	0.702	37%	0.371	S	S	*	.	H	α-helix	trans	-60.4	-36.7	178	0	0	0	0	0	112.1	A149 A150 R155	A149-A153 WeakPolarHBondContact O-CB 3.46Å; A149-A153 PolarHBondContact O-N 2.97Å; A150-A153 PolarHBondContact O-N 2.83Å; A153-R155 VanDerWaalsContact C-N 3.3Å
154	A	96.7	Very high	94.9	Very high	60 Å²	60	64.3 Å²	64.3	50%	0.496	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-1.4	176.1	0	0	0	0	0	114.2	A150 A151 V152 K156	A150-A154 VanDerWaalsContact O-CB 3.24Å; A150-A154 WeakPolarHBondContact O-CB 3.34Å; A150-A154 PolarHBondContact O-N 2.84Å; A151-A154 CarbonylContact O-C 3.56Å; A151-A154 PolarHBondContact O-N 2.83Å; V152-A154 VanDerWaalsContact C-N 3.25Å; V152-A154 PolarHBondContact O-N 3.26Å; A154-K156 VanDerWaalsContact C-N 3.28Å; A154-K156 HydrophobicContact CB-CD 4.29Å; A154-K156 HydrophobicContact CB-CG 3.98Å; A154-K156 PolarHBondContact O-N 3.44Å
155	R	96	Very high	94.8	Very high	156 Å²	156	67 Å²	67	59%	0.589	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	40.9	-178.5	-60.4	-175.7	-176.4	167.3	0.4	113.9	A151 V152 A153 W159 S160 N161	A151-R155 PolarHBondContact O-N 3.43Å; V152-R155 PolarHBondContact O-N 2.65Å; A153-R155 VanDerWaalsContact C-N 3.3Å; R155-W159 WeakPolarHBondContact CA-O 3.31Å; R155-S160 WeakPolarHBondContact O-CA 3.36Å; R155-N161 PolarHBondContact NH1-ND2 3.27Å
156	K	95.1	Very high	94.7	Very high	76 Å²	76	70.9 Å²	70.9	33%	0.33	41%	0.412	S	S	.	.			trans	-85.9	145.5	-177.5	-73.2	-176.2	161.6	-150.6	0	112.6	S125 E126 A151 A154 K158 W159	S125-K156 WeakPolarHBondContact O-CD 3.06Å; E126-K156 VanDerWaalsContact CD-NZ 3.3Å; E126-K156 IonicContact OE1-NZ 3.11Å; E126-K156 PolarHBondContact OE1-NZ 3.2Å; E126-K156 VanDerWaalsContact OE1-NZ 3.11Å; E126-K156 IonicContact OE2-NZ 2.86Å; E126-K156 PolarHBondContact OE2-NZ 3.18Å; A151-K156 PolarHBondContact O-N 3.3Å; A154-K156 VanDerWaalsContact C-N 3.28Å; A154-K156 HydrophobicContact CB-CD 4.29Å; A154-K156 HydrophobicContact CB-CG 3.98Å; A154-K156 PolarHBondContact O-N 3.44Å; K156-K158 PolarHBondContact O-N 2.95Å; K156-W159 WeakPolarHBondContact O-CB 3.2Å; K156-W159 VanDerWaalsContact O-CD1 3.24Å; K156-W159 PolarHBondContact O-N 2.79Å
157	G	93.6	Very high	94.7	Very high	22 Å²	22	66 Å²	66	23%	0.227	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	54.2	-125	174.6	0	0	0	0	0	111.4	Y73 E126 W159 S160	Y73-G157 VanDerWaalsContact CE1-C 3.5Å; Y73-G157 WeakPolarHBondContact CE1-O 3.48Å; Y73-G157 PolarHBondContact OH-O 3.27Å; E126-G157 PolarHBondContact O-N 2.85Å; G157-W159 PolarHBondContact O-N 3.13Å; G157-W159 VanDerWaalsContact O-N 3.08Å; G157-S160 VanDerWaalsContact O-CB 3.28Å; G157-S160 WeakPolarHBondContact O-CB 3.15Å; G157-S160 PolarHBondContact O-N 3Å; G157-S160 PolarHBondContact O-OG 3.48Å
158	K	93.5	Very high	94.5	Very high	51 Å²	51	66.6 Å²	66.6	22%	0.222	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-68.1	-8.1	-178.3	82.7	-162.8	-146.6	91.4	0	115.2	Y73 G127 E130 K156 S160	Y73-K158 HydrophobicContact CD2-CB 3.52Å; Y73-K158 VanDerWaalsContact CE2-CA 3.46Å; Y73-K158 HydrophobicContact CE2-CB 3.89Å; Y73-K158 HydrophobicContact CG-CB 3.91Å; G127-K158 WeakPolarHBondContact O-CG 3.45Å; G127-K158 PolarHBondContact O-N 2.89Å; E130-K158 WeakPolarHBondContact OE1-CE 3.42Å; E130-K158 IonicContact OE1-NZ 2.55Å; E130-K158 PolarHBondContact OE1-NZ 3.01Å; K156-K158 PolarHBondContact O-N 2.95Å; K158-S160 VanDerWaalsContact C-N 3.34Å
159	W	94.3	Very high	94.4	Very high	77 Å²	77	67.3 Å²	67.3	29%	0.292	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-94.1	5.4	175.4	-43.7	120.5	0	0	0	112.6	V152 R155 K156 G157	V152-W159 HydrophobicContact CB-CG 4.4Å; V152-W159 HydrophobicContact CG2-CB 4.36Å; V152-W159 HydrophobicContact CG2-CD2 3.56Å; V152-W159 HydrophobicContact CG2-CE3 4.04Å; V152-W159 HydrophobicContact CG2-CG 3.71Å; V152-W159 HydrophobicContact CG2-CZ2 4.22Å; R155-W159 WeakPolarHBondContact CA-O 3.31Å; K156-W159 WeakPolarHBondContact O-CB 3.2Å; K156-W159 VanDerWaalsContact O-CD1 3.24Å; K156-W159 PolarHBondContact O-N 2.79Å; G157-W159 PolarHBondContact O-N 3.13Å; G157-W159 VanDerWaalsContact O-N 3.08Å
160	S	93.8	Very high	94	Very high	28 Å²	28	73.7 Å²	73.7	20%	0.196	41%	0.407	C	S	.	.	S	Bend	trans	-65.5	174.1	171.6	82	0	0	0	0	111.4	Y73 R155 G157 K158 D162	Y73-S160 PolarHBondContact OH-OG 2.88Å; R155-S160 WeakPolarHBondContact O-CA 3.36Å; G157-S160 VanDerWaalsContact O-CB 3.28Å; G157-S160 WeakPolarHBondContact O-CB 3.15Å; G157-S160 PolarHBondContact O-N 3Å; G157-S160 PolarHBondContact O-OG 3.48Å; K158-S160 VanDerWaalsContact C-N 3.34Å; S160-D162 VanDerWaalsContact C-N 3.27Å; S160-D162 WeakPolarHBondContact OG-CB 3.42Å; S160-D162 PolarHBondContact OG-N 2.85Å; S160-D162 VanDerWaalsContact OG-N 3.14Å; S160-D162 PolarHBondContact OG-OD2 2.87Å
161	N	92.2	Very high	93.7	Very high	123 Å²	123	71.8 Å²	71.8	66%	0.658	39%	0.389	S	S	*	.	S	Bend	trans	-88.1	3.3	173.8	-66.8	-18.9	0	0	0	112.6	R155	R155-N161 PolarHBondContact NH1-ND2 3.27Å
162	D	93.5	Very high	93.4	Very high	92 Å²	92	75.3 Å²	75.3	49%	0.492	41%	0.41	S	S	.	.	S	Bend	trans	-68.5	151.1	-178.1	-58.9	-19.7	0	0	0	109.8	S160 P164 H167	S160-D162 VanDerWaalsContact C-N 3.27Å; S160-D162 WeakPolarHBondContact OG-CB 3.42Å; S160-D162 PolarHBondContact OG-N 2.85Å; S160-D162 VanDerWaalsContact OG-N 3.14Å; S160-D162 PolarHBondContact OG-OD2 2.87Å; D162-P164 VanDerWaalsContact O-CD 3.27Å; D162-P164 WeakPolarHBondContact O-CD 3.24Å; D162-H167 VanDerWaalsContact CB-NE2 3.28Å; D162-H167 WeakPolarHBondContact CB-NE2 3.42Å; D162-H167 IonicContact OD2-CE1 3.55Å; D162-H167 IonicContact OD2-NE2 3.44Å; D162-H167 PolarHBondContact OD2-NE2 2.79Å
163	N	93.3	Very high	93.1	Very high	90 Å²	90	74.3 Å²	74.3	48%	0.481	40%	0.398	S	S	.	.			trans	-67.9	120.3	175.6	-179.6	-0.9	0	0	0	108.9	A165 D166	N163-A165 PolarHBondContact O-N 3.45Å; N163-A165 PolarHBondContact OD1-N 2.82Å; N163-D166 WeakPolarHBondContact O-CB 3.16Å; N163-D166 PolarHBondContact O-N 2.86Å
164	P	92.2	Very high	92.6	Very high	65 Å²	65	73.7 Å²	73.7	42%	0.422	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-55.5	-25.8	-178.3	-27.1	35.5	0	0	0	114	P72 D162 D166 H167	P72-P164 HydrophobicContact CB-CB 3.76Å; P72-P164 WeakPolarHBondContact CB-O 3.36Å; P72-P164 HydrophobicContact CG-CB 3.8Å; D162-P164 VanDerWaalsContact O-CD 3.27Å; D162-P164 WeakPolarHBondContact O-CD 3.24Å; P164-D166 VanDerWaalsContact C-N 3.27Å; P164-D166 PolarHBondContact O-N 3.43Å; P164-H167 PolarHBondContact O-N 3.03Å
165	A	92.4	Very high	92.3	Very high	57 Å²	57	72.2 Å²	72.2	47%	0.471	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-65.6	-27	176.2	0	0	0	0	0	113.7	N163 H167 I168	N163-A165 PolarHBondContact O-N 3.45Å; N163-A165 PolarHBondContact OD1-N 2.82Å; A165-H167 PolarHBondContact O-N 3.41Å; A165-I168 PolarHBondContact O-N 3.4Å
166	D	93.7	Very high	91.9	Very high	125 Å²	125	71.9 Å²	71.9	67%	0.668	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-74	-15.6	178.2	-64	-24.5	0	0	0	112	N163 P164	N163-D166 WeakPolarHBondContact O-CB 3.16Å; N163-D166 PolarHBondContact O-N 2.86Å; P164-D166 VanDerWaalsContact C-N 3.27Å; P164-D166 PolarHBondContact O-N 3.43Å
167	H	94.5	Very high	91.8	Very high	30 Å²	30	71.9 Å²	71.9	14%	0.139	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-98.4	20.5	176.5	-61.8	-82.4	0	0	0	112.9	Y73 E76 D162 P164 A165	Y73-H167 HydrophobicContact CD1-CB 4.18Å; Y73-H167 AromaticContact CD1-CG 3.85Å; Y73-H167 AromaticContact CD1-ND1 3.67Å; Y73-H167 HydrophobicContact CD2-CB 3.88Å; Y73-H167 HydrophobicContact CE1-CB 4.25Å; Y73-H167 AromaticContact CE1-CD2 3.68Å; Y73-H167 AromaticContact CE1-CE1 3.34Å; Y73-H167 WeakPolarHBondContact CE1-CE1 3.36Å; Y73-H167 AromaticContact CE1-CG 3.47Å; Y73-H167 VanDerWaalsContact CE1-CG 3.47Å; Y73-H167 AromaticContact CE1-ND1 3.26Å; Y73-H167 VanDerWaalsContact CE1-ND1 3.26Å; Y73-H167 WeakPolarHBondContact CE1-ND1 3.32Å; Y73-H167 AromaticContact CE1-NE2 3.57Å; Y73-H167 HydrophobicContact CE2-CB 3.93Å; Y73-H167 AromaticContact CE2-CD2 3.55Å; Y73-H167 AromaticContact CE2-CG 3.65Å; Y73-H167 HydrophobicContact CG-CB 4.01Å; Y73-H167 AromaticContact CZ-CD2 3.16Å; Y73-H167 AromaticContact CZ-CE1 3.59Å; Y73-H167 AromaticContact CZ-CG 3.37Å; Y73-H167 AromaticContact CZ-ND1 3.64Å; Y73-H167 AromaticContact CZ-NE2 3.29Å; Y73-H167 VanDerWaalsContact CZ-NE2 3.29Å; Y73-H167 PolarHBondContact N-O 2.79Å; Y73-H167 PolarHBondContact OH-CD2 2.98Å; Y73-H167 PolarHBondContact OH-NE2 3.26Å; E76-H167 IonicContact OE1-CE1 3.35Å; E76-H167 IonicContact OE1-CG 2.61Å; E76-H167 IonicContact OE1-ND1 2.86Å; E76-H167 PolarHBondContact OE1-ND1 2.89Å; D162-H167 VanDerWaalsContact CB-NE2 3.28Å; D162-H167 WeakPolarHBondContact CB-NE2 3.42Å; D162-H167 IonicContact OD2-CE1 3.55Å; D162-H167 IonicContact OD2-NE2 3.44Å; D162-H167 PolarHBondContact OD2-NE2 2.79Å; P164-H167 PolarHBondContact O-N 3.03Å; A165-H167 PolarHBondContact O-N 3.41Å
168	I	93.7	Very high	91.8	Very high	51 Å²	51	71.3 Å²	71.3	26%	0.262	38%	0.376	S	S	.	.	S	Bend	trans	-110.9	118.5	171.9	-59.7	177.7	0	0	0	107.7	K69 D70 P72 A165	K69-I168 HydrophobicContact CB-CG2 4.28Å; D70-I168 HydrophobicContact CB-CG2 4.25Å; P72-I168 HydrophobicContact CG-CD1 4.14Å; P72-I168 HydrophobicContact CG-CG1 4.19Å; A165-I168 PolarHBondContact O-N 3.4Å
169	R	92.2	Very high	91.7	Very high	35 Å²	35	78 Å²	78	13%	0.132	40%	0.4	C	S	.	.			trans	-67.1	141	-179.4	-64.7	-177.6	-67.7	157.6	6.3	111.6	D70 W75 I171 Y211	D70-R169 IonicContact OD1-NH2 3.84Å; D70-R169 PolarHBondContact OD1-NH2 2.88Å; D70-R169 VanDerWaalsContact OD1-NH2 3.13Å; D70-R169 WeakPolarHBondContact OD2-CB 3.44Å; D70-R169 WeakPolarHBondContact OD2-CG 3.47Å; D70-R169 IonicContact OD2-CZ 2.84Å; D70-R169 IonicContact OD2-NE 2.76Å; D70-R169 PolarHBondContact OD2-NE 3.2Å; D70-R169 IonicContact OD2-NH2 3.86Å; D70-R169 PolarHBondContact OD2-NH2 2.83Å; W75-R169 HydrophobicContact CB-CG 4Å; W75-R169 HydrophobicContact CG-CG 4.12Å; R169-I171 HydrophobicContact CB-CG1 3.93Å; R169-I171 PolarHBondContact O-N 3.31Å; R169-Y211 HydrophobicContact CB-CD2 3.95Å; R169-Y211 HydrophobicContact CB-CE2 4.16Å; R169-Y211 HydrophobicContact CG-CD2 3.88Å; R169-Y211 HydrophobicContact CG-CE2 3.66Å; R169-Y211 HydrophobicContact CG-CG 4.39Å
170	K	88.9	Confident	91.7	Very high	192 Å²	192	80.3 Å²	80.3	84%	0.835	41%	0.414	S	S	*	.			trans	-88.8	90.2	167.3	-64	179.8	-175.5	174.7	0	108.8
171	I	90.4	Very high	91.6	Very high	20 Å²	20	80.5 Å²	80.5	10%	0.103	41%	0.411	C	S	.	.			trans	-86	126.6	-175.8	-56.1	172.8	0	0	0	109.7	A57 R169 W173	A57-I171 HydrophobicContact CB-CD1 3.54Å; R169-I171 HydrophobicContact CB-CG1 3.93Å; R169-I171 PolarHBondContact O-N 3.31Å; I171-W173 HydrophobicContact CB-CD2 4.49Å; I171-W173 HydrophobicContact CB-CZ2 4.11Å; I171-W173 HydrophobicContact CD1-CH2 3.88Å; I171-W173 HydrophobicContact CD1-CZ2 3.66Å; I171-W173 HydrophobicContact CG1-CZ2 4.5Å; I171-W173 HydrophobicContact CG2-CD2 3.6Å; I171-W173 HydrophobicContact CG2-CE3 3.82Å; I171-W173 HydrophobicContact CG2-CG 4.16Å; I171-W173 HydrophobicContact CG2-CH2 3.98Å; I171-W173 HydrophobicContact CG2-CZ2 3.75Å; I171-W173 HydrophobicContact CG2-CZ3 3.99Å
172	V	89.8	Confident	91.6	Very high	74 Å²	74	74.9 Å²	74.9	45%	0.448	38%	0.381	S	S	.	.			trans	-97	100.4	170.7	-179.3	0	0	0	0	108.1	T174 T212 P213	V172-T174 VanDerWaalsContact C-N 3.35Å; V172-T174 VanDerWaalsContact CG1-O 3.31Å; V172-T174 WeakPolarHBondContact CG1-O 3.5Å; V172-T174 PolarHBondContact O-N 3.07Å; V172-T212 HydrophobicContact CB-CG2 4.49Å; V172-T212 WeakPolarHBondContact O-CA 3.46Å; V172-T212 WeakPolarHBondContact O-CG2 3.43Å; V172-P213 WeakPolarHBondContact O-CD 3.37Å
173	W	88.6	Confident	91.5	Very high	52 Å²	52	76.1 Å²	76.1	20%	0.197	38%	0.384	C	S	.	.			trans	-74	-20	-170.6	-66.6	105.8	0	0	0	115.4	A57 R59 E67 I171 P213	A57-W173 HydrophobicContact CB-CH2 4.32Å; A57-W173 HydrophobicContact CB-CZ2 3.92Å; R59-W173 HydrophobicContact CB-CD2 3.98Å; R59-W173 HydrophobicContact CB-CE3 3.6Å; R59-W173 HydrophobicContact CB-CH2 4.08Å; R59-W173 HydrophobicContact CB-CZ2 4.41Å; R59-W173 HydrophobicContact CB-CZ3 3.67Å; R59-W173 HydrophobicContact CG-CB 4.36Å; R59-W173 HydrophobicContact CG-CD2 3.85Å; R59-W173 HydrophobicContact CG-CE3 3.66Å; R59-W173 HydrophobicContact CG-CG 4.17Å; R59-W173 HydrophobicContact CG-CZ3 4.26Å; E67-W173 PolarHBondContact OE1-NE1 3.23Å; I171-W173 HydrophobicContact CB-CD2 4.49Å; I171-W173 HydrophobicContact CB-CZ2 4.11Å; I171-W173 HydrophobicContact CD1-CH2 3.88Å; I171-W173 HydrophobicContact CD1-CZ2 3.66Å; I171-W173 HydrophobicContact CG1-CZ2 4.5Å; I171-W173 HydrophobicContact CG2-CD2 3.6Å; I171-W173 HydrophobicContact CG2-CE3 3.82Å; I171-W173 HydrophobicContact CG2-CG 4.16Å; I171-W173 HydrophobicContact CG2-CH2 3.98Å; I171-W173 HydrophobicContact CG2-CZ2 3.75Å; I171-W173 HydrophobicContact CG2-CZ3 3.99Å; W173-P213 HydrophobicContact CE3-CG 4.01Å
174	T	86.5	Confident	91.3	Very high	71 Å²	71	75.5 Å²	75.5	44%	0.436	39%	0.392	S	S	.	.			trans	-132	145.2	-176.6	52	0	0	0	0	110.6	V172 D176	V172-T174 VanDerWaalsContact C-N 3.35Å; V172-T174 VanDerWaalsContact CG1-O 3.31Å; V172-T174 WeakPolarHBondContact CG1-O 3.5Å; V172-T174 PolarHBondContact O-N 3.07Å; T174-D176 PolarHBondContact OG1-OD1 2.91Å
175	V	90.5	Very high	91.2	Very high	30 Å²	30	75.1 Å²	75.1	18%	0.182	38%	0.384	C	S	.	.			trans	-102.9	104.8	167.5	-178.9	0	0	0	0	106.7	N177 P178 F181 T212 I214 F269	V175-N177 VanDerWaalsContact C-N 3.31Å; V175-N177 PolarHBondContact O-N 3.13Å; V175-P178 HydrophobicContact CG1-CG 4.49Å; V175-F181 HydrophobicContact CG1-CB 3.65Å; V175-F181 HydrophobicContact CG1-CD2 3.95Å; V175-F181 HydrophobicContact CG1-CG 3.94Å; V175-F181 HydrophobicContact CG2-CD2 4.4Å; V175-T212 HydrophobicContact CG2-CG2 3.55Å; V175-I214 HydrophobicContact CG2-CG2 3.91Å; V175-F269 HydrophobicContact CB-CZ 4.31Å; V175-F269 HydrophobicContact CG1-CZ 4.1Å; V175-F269 HydrophobicContact CG2-CZ 4.4Å
176	D	88.2	Confident	90.8	Very high	149 Å²	149	77.9 Å²	77.9	80%	0.797	39%	0.385	S	S	*	.	S	Bend	trans	-66.4	-35.4	-171.4	-58.4	-27.8	0	0	0	112.2	T174	T174-D176 PolarHBondContact OG1-OD1 2.91Å
177	N	92	Very high	90.4	Very high	76 Å²	76	74.5 Å²	74.5	41%	0.406	38%	0.381	S	S	.	.			trans	-126.1	85.6	176.7	-168.8	-7.2	0	0	0	111.6	V175 R179 E180 F181	V175-N177 VanDerWaalsContact C-N 3.31Å; V175-N177 PolarHBondContact O-N 3.13Å; N177-R179 PolarHBondContact O-N 3.33Å; N177-R179 PolarHBondContact OD1-N 3.48Å; N177-E180 HydrophobicContact CB-CB 4.03Å; N177-E180 WeakPolarHBondContact ND2-CB 3.37Å; N177-E180 PolarHBondContact ND2-OE2 2.86Å; N177-E180 PolarHBondContact O-N 3.12Å; N177-E180 PolarHBondContact OD1-N 2.97Å; N177-F181 PolarHBondContact O-N 3.36Å
178	P	93.6	Very high	90.2	Very high	9 Å²	9	80.2 Å²	80.2	6%	0.058	41%	0.405	C	S	.	.	H	α-helix	trans	-59.9	-30	-179.1	-29.6	37.2	0	0	0	115.1	V175 F181 V182 V264 F269	V175-P178 HydrophobicContact CG1-CG 4.49Å; P178-F181 WeakPolarHBondContact O-CB 3.39Å; P178-F181 PolarHBondContact O-N 3.21Å; P178-V182 WeakPolarHBondContact O-CG2 3.45Å; P178-V182 PolarHBondContact O-N 3.28Å; P178-V264 HydrophobicContact CB-CB 4.26Å; P178-V264 HydrophobicContact CB-CG1 4.44Å; P178-V264 HydrophobicContact CB-CG2 3.67Å; P178-F269 HydrophobicContact CB-CE1 3.87Å; P178-F269 HydrophobicContact CB-CE2 4.4Å; P178-F269 HydrophobicContact CB-CZ 3.63Å; P178-F269 HydrophobicContact CG-CZ 4.31Å; P178-F269 WeakPolarHBondContact O-CE1 3.46Å
179	R	91.6	Very high	90.2	Very high	191 Å²	191	80.3 Å²	80.3	72%	0.721	41%	0.409	S	S	*	.	H	α-helix	trans	-67.6	-46.3	179.4	-73.5	-177.3	178.5	171.2	0.5	110.9	N177 F181 V182 E183 V264	N177-R179 PolarHBondContact O-N 3.33Å; N177-R179 PolarHBondContact OD1-N 3.48Å; R179-F181 VanDerWaalsContact C-N 3.3Å; R179-F181 PolarHBondContact O-N 2.79Å; R179-V182 PolarHBondContact O-N 2.93Å; R179-E183 PolarHBondContact O-N 3.31Å; R179-V264 HydrophobicContact CB-CG1 4.47Å; R179-V264 HydrophobicContact CG-CG1 3.53Å
180	E	93.3	Very high	90.4	Very high	127 Å²	127	79.4 Å²	79.4	59%	0.593	41%	0.406	S	S	*	.	H	α-helix	trans	-63.7	-38.5	174.6	-175.5	175.6	-176	0	0	111.4	N177 V182 E183 A184	N177-E180 HydrophobicContact CB-CB 4.03Å; N177-E180 WeakPolarHBondContact ND2-CB 3.37Å; N177-E180 PolarHBondContact ND2-OE2 2.86Å; N177-E180 PolarHBondContact O-N 3.12Å; N177-E180 PolarHBondContact OD1-N 2.97Å; E180-V182 VanDerWaalsContact C-N 3.34Å; E180-V182 PolarHBondContact O-N 3.3Å; E180-E183 PolarHBondContact O-N 2.8Å; E180-A184 WeakPolarHBondContact O-CB 3.29Å; E180-A184 PolarHBondContact O-N 2.83Å
181	F	92.1	Very high	90.8	Very high	31 Å²	31	76.8 Å²	76.8	14%	0.136	40%	0.395	C	S	.	.	H	α-helix	trans	-59.3	-43.8	172.9	-173.8	-83.9	0	0	0	112.3	V175 N177 P178 R179 A184 H185 I190 V207 F269	V175-F181 HydrophobicContact CG1-CB 3.65Å; V175-F181 HydrophobicContact CG1-CD2 3.95Å; V175-F181 HydrophobicContact CG1-CG 3.94Å; V175-F181 HydrophobicContact CG2-CD2 4.4Å; N177-F181 PolarHBondContact O-N 3.36Å; P178-F181 WeakPolarHBondContact O-CB 3.39Å; P178-F181 PolarHBondContact O-N 3.21Å; R179-F181 VanDerWaalsContact C-N 3.3Å; R179-F181 PolarHBondContact O-N 2.79Å; F181-A184 PolarHBondContact O-N 2.86Å; F181-H185 AromaticContact CD1-ND1 3.86Å; F181-H185 AromaticContact CD2-CE1 3.79Å; F181-H185 AromaticContact CE1-ND1 3.75Å; F181-H185 AromaticContact CE2-CE1 3.46Å; F181-H185 VanDerWaalsContact CE2-CE1 3.46Å; F181-H185 WeakPolarHBondContact CE2-CE1 3.41Å; F181-H185 AromaticContact CE2-ND1 3.92Å; F181-H185 AromaticContact CG-ND1 4Å; F181-H185 AromaticContact CZ-CE1 3.61Å; F181-H185 AromaticContact CZ-ND1 3.78Å; F181-H185 PolarHBondContact O-N 3.28Å; F181-H185 PolarHBondContact O-ND1 3.08Å; F181-I190 HydrophobicContact CE1-CD1 4.19Å; F181-I190 HydrophobicContact CZ-CD1 4.4Å; F181-V207 HydrophobicContact CZ-CG1 4.48Å; F181-F269 HydrophobicContact CB-CE1 4.18Å; F181-F269 HydrophobicContact CB-CZ 4.34Å; F181-F269 HydrophobicContact CD1-CD1 4.33Å; F181-F269 AromaticContact CD1-CE1 3.53Å; F181-F269 HydrophobicContact CD1-CE1 3.53Å; F181-F269 AromaticContact CD1-CZ 3.89Å; F181-F269 HydrophobicContact CD1-CZ 3.89Å; F181-F269 HydrophobicContact CE1-CE1 4.33Å; F181-F269 HydrophobicContact CG-CE1 4.16Å; F181-F269 HydrophobicContact CG-CZ 4.24Å
182	V	92.7	Very high	91.2	Very high	5 Å²	5	76 Å²	76	3%	0.03	39%	0.391	C	S	.	.	H	α-helix	trans	-60.5	-50.8	175	172.7	0	0	0	0	110.3	P178 R179 E180 A184 H185 K186 I261 V264 F269	P178-V182 WeakPolarHBondContact O-CG2 3.45Å; P178-V182 PolarHBondContact O-N 3.28Å; R179-V182 PolarHBondContact O-N 2.93Å; E180-V182 VanDerWaalsContact C-N 3.34Å; E180-V182 PolarHBondContact O-N 3.3Å; V182-A184 VanDerWaalsContact C-N 3.3Å; V182-A184 PolarHBondContact O-N 3.28Å; V182-H185 CarbonylContact O-C 3.6Å; V182-H185 PolarHBondContact O-N 2.9Å; V182-H185 VanDerWaalsContact O-N 3.12Å; V182-K186 WeakPolarHBondContact O-CA 3.41Å; V182-K186 WeakPolarHBondContact O-CB 3.27Å; V182-K186 PolarHBondContact O-N 2.87Å; V182-I261 HydrophobicContact CB-CG2 4.15Å; V182-I261 HydrophobicContact CG1-CG2 4.2Å; V182-I261 HydrophobicContact CG2-CG2 3.54Å; V182-V264 HydrophobicContact CG2-CB 4.26Å; V182-F269 HydrophobicContact CG2-CD1 3.73Å; V182-F269 HydrophobicContact CG2-CE1 3.83Å
183	E	90.5	Very high	91.5	Very high	119 Å²	119	72.7 Å²	72.7	56%	0.556	37%	0.371	S	S	*	.	H	α-helix	trans	-62.2	-37.1	-178.3	-69	-58	132.9	0	0	112.3	R179 E180 H185 K186	R179-E183 PolarHBondContact O-N 3.31Å; E180-E183 PolarHBondContact O-N 2.8Å; E183-H185 VanDerWaalsContact C-N 3.25Å; E183-H185 PolarHBondContact O-N 2.86Å; E183-K186 IonicContact OE1-NZ 2.9Å; E183-K186 PolarHBondContact OE1-NZ 2.91Å; E183-K186 IonicContact OE2-NZ 3.66Å; E183-K186 PolarHBondContact OE2-NZ 3.13Å
184	A	90.4	Very high	92	Very high	77 Å²	77	70.2 Å²	70.2	64%	0.636	36%	0.362	S	S	*	.	H	α-helix	trans	-64.9	-26.3	176.7	0	0	0	0	0	113.7	E180 F181 V182	E180-A184 WeakPolarHBondContact O-CB 3.29Å; E180-A184 PolarHBondContact O-N 2.83Å; F181-A184 PolarHBondContact O-N 2.86Å; V182-A184 VanDerWaalsContact C-N 3.3Å; V182-A184 PolarHBondContact O-N 3.28Å
185	H	89.8	Confident	92.4	Very high	57 Å²	57	69.5 Å²	69.5	26%	0.264	36%	0.355	S	S	.	.	H	α-helix	trans	-114.3	2.8	-176.9	-59.6	88.9	0	0	0	114	F181 V182 E183 G187 K188 I190	F181-H185 AromaticContact CD1-ND1 3.86Å; F181-H185 AromaticContact CD2-CE1 3.79Å; F181-H185 AromaticContact CE1-ND1 3.75Å; F181-H185 AromaticContact CE2-CE1 3.46Å; F181-H185 VanDerWaalsContact CE2-CE1 3.46Å; F181-H185 WeakPolarHBondContact CE2-CE1 3.41Å; F181-H185 AromaticContact CE2-ND1 3.92Å; F181-H185 AromaticContact CG-ND1 4Å; F181-H185 AromaticContact CZ-CE1 3.61Å; F181-H185 AromaticContact CZ-ND1 3.78Å; F181-H185 PolarHBondContact O-N 3.28Å; F181-H185 PolarHBondContact O-ND1 3.08Å; V182-H185 CarbonylContact O-C 3.6Å; V182-H185 PolarHBondContact O-N 2.9Å; V182-H185 VanDerWaalsContact O-N 3.12Å; E183-H185 VanDerWaalsContact C-N 3.25Å; E183-H185 PolarHBondContact O-N 2.86Å; H185-G187 PolarHBondContact O-N 2.81Å; H185-K188 PolarHBondContact O-N 2.71Å; H185-I190 HydrophobicContact CB-CD1 3.46Å; H185-I190 VanDerWaalsContact CB-CD1 3.46Å; H185-I190 HydrophobicContact CB-CG1 4.02Å; H185-I190 VanDerWaalsContact CG-CD1 3.49Å
186	K	84	Confident	92.7	Very high	114 Å²	114	73 Å²	73	50%	0.496	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	131.5	-175.3	-164.8	174.8	-167.4	162.6	0	111.2	V182 E183 K188	V182-K186 WeakPolarHBondContact O-CA 3.41Å; V182-K186 WeakPolarHBondContact O-CB 3.27Å; V182-K186 PolarHBondContact O-N 2.87Å; E183-K186 IonicContact OE1-NZ 2.9Å; E183-K186 PolarHBondContact OE1-NZ 2.91Å; E183-K186 IonicContact OE2-NZ 3.66Å; E183-K186 PolarHBondContact OE2-NZ 3.13Å; K186-K188 VanDerWaalsContact C-N 3.29Å; K186-K188 PolarHBondContact O-N 3.35Å
187	G	84.9	Confident	93.1	Very high	55 Å²	55	65.9 Å²	65.9	57%	0.567	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	11.7	177	0	0	0	0	0	115.1	H185 W260	H185-G187 PolarHBondContact O-N 2.81Å; G187-W260 VanDerWaalsContact C-CZ3 3.42Å; G187-W260 VanDerWaalsContact O-CZ3 3.27Å; G187-W260 WeakPolarHBondContact O-CZ3 3.38Å
188	K	90.2	Very high	93.2	Very high	150 Å²	150	67 Å²	67	65%	0.652	33%	0.326	S	S	*	.	S	Bend	trans	-128	138.3	172.2	-63.9	179.3	-175.4	173.8	0	110.8	H185 K186	H185-K188 PolarHBondContact O-N 2.71Å; K186-K188 VanDerWaalsContact C-N 3.29Å; K186-K188 PolarHBondContact O-N 3.35Å
189	P	94.2	Very high	93.4	Very high	52 Å²	52	66.6 Å²	66.6	34%	0.338	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	135.2	171.2	26	-28.5	0	0	0	110.1	E258 W260	P189-E258 HydrophobicContact CB-CB 3.94Å; P189-E258 HydrophobicContact CB-CG 4.37Å; P189-W260 HydrophobicContact CB-CD2 4.4Å; P189-W260 HydrophobicContact CB-CZ2 4.11Å; P189-W260 HydrophobicContact CG-CH2 4.49Å; P189-W260 HydrophobicContact CG-CZ2 3.91Å
190	I	95.8	Very high	93.6	Very high	16 Å²	16	57.5 Å²	57.5	8%	0.082	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	130.6	175.2	-41.6	171.3	0	0	0	109	F181 H185 A192 V207 E258 I259 I261	F181-I190 HydrophobicContact CE1-CD1 4.19Å; F181-I190 HydrophobicContact CZ-CD1 4.4Å; H185-I190 HydrophobicContact CB-CD1 3.46Å; H185-I190 VanDerWaalsContact CB-CD1 3.46Å; H185-I190 HydrophobicContact CB-CG1 4.02Å; H185-I190 VanDerWaalsContact CG-CD1 3.49Å; I190-A192 PolarHBondContact O-N 3.05Å; I190-V207 HydrophobicContact CG2-CG1 3.52Å; I190-E258 CarbonylContact O-C 3.46Å; I190-E258 WeakPolarHBondContact O-CA 3.33Å; I190-I259 PolarHBondContact N-O 2.83Å; I190-I259 PolarHBondContact O-N 2.91Å; I190-I261 HydrophobicContact CD1-CG1 3.68Å
191	K	98	Very high	93.8	Very high	138 Å²	138	51.6 Å²	51.6	60%	0.6	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	131.6	174.5	-66.6	-175.8	179.9	-179.2	0	110.1	L208 E258	K191-L208 HydrophobicContact CB-CB 4.38Å; K191-L208 PolarHBondContact O-N 3.02Å; K191-E258 HydrophobicContact CG-CG 4.49Å
192	A	98	Very high	94.1	Very high	2 Å²	2	50.2 Å²	50.2	2%	0.017	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	163.8	178.2	0	0	0	0	0	111.6	I190 A205 I206 V257 I259	I190-A192 PolarHBondContact O-N 3.05Å; A192-A205 HydrophobicContact CB-CB 4.1Å; A192-I206 CarbonylContact C-O 3.56Å; A192-I206 WeakPolarHBondContact CA-O 3.2Å; A192-I206 WeakPolarHBondContact CB-O 3.49Å; A192-V257 HydrophobicContact CB-CG2 4.22Å; A192-V257 PolarHBondContact N-O 2.83Å; A192-V257 WeakPolarHBondContact O-CG2 3.32Å; A192-V257 PolarHBondContact O-N 3.08Å; A192-V257 VanDerWaalsContact O-O 3.12Å; A192-I259 HydrophobicContact CB-CD1 3.71Å; A192-I259 HydrophobicContact CB-CG1 4.11Å
193	I	97.8	Very high	94.4	Very high	5 Å²	5	50 Å²	50	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.7	170.3	-61.1	165	0	0	0	107.6	W75 E79 D195 A205 I206 L208 Q255	W75-I193 HydrophobicContact CH2-CD1 4Å; W75-I193 HydrophobicContact CZ2-CD1 3.87Å; E79-I193 WeakPolarHBondContact OE1-CD1 3.44Å; I193-D195 PolarHBondContact O-N 2.88Å; I193-A205 CarbonylContact O-C 3.5Å; I193-A205 WeakPolarHBondContact O-CA 3.35Å; I193-I206 PolarHBondContact N-O 3.24Å; I193-I206 PolarHBondContact O-N 3.28Å; I193-L208 HydrophobicContact CD1-CD1 4.17Å; I193-L208 HydrophobicContact CD1-CD2 4.49Å; I193-L208 HydrophobicContact CG1-CD1 4.22Å; I193-Q255 WeakPolarHBondContact CA-O 3.16Å
194	I	98	Very high	94.7	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	117.8	174.5	-56.9	-50.5	0	0	0	108.9	V197 V203 A205 L252 Q254 Q255 V257 I259 I273	I194-V197 HydrophobicContact CG2-CG2 4.16Å; I194-V203 HydrophobicContact CD1-CG2 3.79Å; I194-V203 HydrophobicContact CG2-CB 3.96Å; I194-V203 HydrophobicContact CG2-CG1 4.25Å; I194-V203 HydrophobicContact CG2-CG2 4.43Å; I194-A205 HydrophobicContact CD1-CB 3.65Å; I194-L252 HydrophobicContact CB-CB 4.39Å; I194-L252 VanDerWaalsContact CB-O 3.32Å; I194-L252 WeakPolarHBondContact CB-O 3.13Å; I194-L252 HydrophobicContact CG1-CB 4.11Å; I194-L252 HydrophobicContact CG2-CB 4.42Å; I194-Q254 WeakPolarHBondContact O-CA 3.4Å; I194-Q254 PolarHBondContact O-N 2.85Å; I194-Q255 PolarHBondContact N-O 3.13Å; I194-V257 HydrophobicContact CD1-CG2 3.68Å; I194-V257 HydrophobicContact CG1-CG1 4.12Å; I194-V257 HydrophobicContact CG1-CG2 3.8Å; I194-I259 HydrophobicContact CD1-CD1 4.21Å; I194-I273 HydrophobicContact CD1-CD1 4.34Å
195	D	94.7	Very high	95	Very high	56 Å²	56	45.4 Å²	45.4	30%	0.299	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-28.5	-174.5	-173.6	56	0	0	0	112.4	I193 R204 I206 L253	I193-D195 PolarHBondContact O-N 2.88Å; D195-R204 PolarHBondContact N-O 3.44Å; D195-I206 HydrophobicContact CB-CD1 3.7Å; D195-I206 HydrophobicContact CB-CG1 3.86Å; D195-L253 WeakPolarHBondContact O-CD1 3.39Å
196	Y	96.2	Very high	95.3	Very high	103 Å²	103	43.4 Å²	43.4	40%	0.404	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	144.5	178.9	177.9	-102.9	0	0	0	111.5	R198 V203 R204	Y196-R198 HydrophobicContact CD1-CB 4.43Å; Y196-R198 HydrophobicContact CE1-CB 3.86Å; Y196-R198 HydrophobicContact CE1-CG 4.34Å; Y196-V203 CarbonylContact O-C 3.6Å; Y196-V203 WeakPolarHBondContact O-CA 3.49Å; Y196-V203 WeakPolarHBondContact O-CB 3.5Å; Y196-R204 PolarHBondContact N-O 2.88Å; Y196-R204 PolarHBondContact O-N 3.01Å
197	V	97.1	Very high	95.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.1	174	-179.8	0	0	0	0	107.9	I194 D199 V203 K245 T248 E249 L253	I194-V197 HydrophobicContact CG2-CG2 4.16Å; V197-D199 VanDerWaalsContact CG1-O 3.23Å; V197-D199 WeakPolarHBondContact CG1-O 3.18Å; V197-V203 HydrophobicContact CB-CG1 4.48Å; V197-V203 HydrophobicContact CG1-CG1 4.32Å; V197-V203 HydrophobicContact CG2-CG1 4.1Å; V197-K245 HydrophobicContact CG1-CG 4.08Å; V197-K245 VanDerWaalsContact O-CE 3.26Å; V197-K245 WeakPolarHBondContact O-CE 3.5Å; V197-T248 HydrophobicContact CG1-CG2 3.81Å; V197-T248 HydrophobicContact CG2-CG2 4.15Å; V197-E249 HydrophobicContact CB-CG 3.68Å; V197-E249 HydrophobicContact CG1-CG 4.06Å; V197-E249 HydrophobicContact CG2-CG 3.85Å; V197-L253 HydrophobicContact CG2-CB 4.46Å; V197-L253 HydrophobicContact CG2-CD1 4.45Å
198	R	95.2	Very high	96.3	Very high	99 Å²	99	38 Å²	38	37%	0.374	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-51.6	179.4	-170.6	-170.1	81.1	-177.2	3.8	110.4	Y196 T202 F226	Y196-R198 HydrophobicContact CD1-CB 4.43Å; Y196-R198 HydrophobicContact CE1-CB 3.86Å; Y196-R198 HydrophobicContact CE1-CG 4.34Å; R198-T202 HydrophobicContact CB-CG2 4.35Å; R198-T202 WeakPolarHBondContact CB-O 3.41Å; R198-T202 PolarHBondContact N-O 2.81Å; R198-T202 PolarHBondContact NH2-OG1 3.4Å; R198-F226 WeakPolarHBondContact O-CE2 3.39Å
199	D	96.4	Very high	96.4	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	-178.3	177	56.9	64	0	0	0	108.9	V197 S201 T202 F226	V197-D199 VanDerWaalsContact CG1-O 3.23Å; V197-D199 WeakPolarHBondContact CG1-O 3.18Å; D199-S201 PolarHBondContact O-N 3.15Å; D199-S201 VanDerWaalsContact O-N 3.13Å; D199-S201 PolarHBondContact OD1-N 3.45Å; D199-S201 PolarHBondContact OD1-OG 2.91Å; D199-S201 VanDerWaalsContact OD1-OG 3.13Å; D199-T202 PolarHBondContact N-O 3.47Å; D199-T202 PolarHBondContact O-N 3.05Å; D199-T202 WeakPolarHBondContact OD1-CB 3.26Å; D199-T202 PolarHBondContact OD1-N 2.92Å; D199-T202 PolarHBondContact OD1-OG1 3.41Å; D199-T202 WeakPolarHBondContact OD2-CB 3.42Å; D199-T202 PolarHBondContact OD2-OG1 3.49Å; D199-F226 HydrophobicContact CB-CD2 4.46Å; D199-F226 HydrophobicContact CB-CE2 4.36Å
200	G	97.1	Very high	96.1	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.4	-177.3	0	0	0	0	0	114.2	M218 A244 T248 L284	G200-M218 WeakPolarHBondContact O-CE 3.26Å; G200-A244 WeakPolarHBondContact CA-O 3.48Å; G200-T248 WeakPolarHBondContact CA-OG1 3.49Å; G200-T248 PolarHBondContact O-OG1 3.2Å; G200-L284 WeakPolarHBondContact O-CD1 3.06Å
201	S	97.7	Very high	95.9	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.028	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	1.5	-173.6	55.4	0	0	0	0	114.2	D199 M218 S223	D199-S201 PolarHBondContact O-N 3.15Å; D199-S201 VanDerWaalsContact O-N 3.13Å; D199-S201 PolarHBondContact OD1-N 3.45Å; D199-S201 PolarHBondContact OD1-OG 2.91Å; D199-S201 VanDerWaalsContact OD1-OG 3.13Å; S201-M218 WeakPolarHBondContact O-CG 3.23Å; S201-M218 PolarHBondContact O-N 2.92Å; S201-S223 PolarHBondContact OG-N 3.14Å
202	T	97.9	Very high	95.7	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	123.1	-176	-46.4	0	0	0	0	110.7	R198 D199 T215 V216 M217	R198-T202 HydrophobicContact CB-CG2 4.35Å; R198-T202 WeakPolarHBondContact CB-O 3.41Å; R198-T202 PolarHBondContact N-O 2.81Å; R198-T202 PolarHBondContact NH2-OG1 3.4Å; D199-T202 PolarHBondContact N-O 3.47Å; D199-T202 PolarHBondContact O-N 3.05Å; D199-T202 WeakPolarHBondContact OD1-CB 3.26Å; D199-T202 PolarHBondContact OD1-N 2.92Å; D199-T202 PolarHBondContact OD1-OG1 3.41Å; D199-T202 WeakPolarHBondContact OD2-CB 3.42Å; D199-T202 PolarHBondContact OD2-OG1 3.49Å; T202-T215 HydrophobicContact CG2-CG2 3.89Å; T202-V216 WeakPolarHBondContact CA-O 3.42Å; T202-M217 HydrophobicContact CG2-CG 3.83Å
203	V	98.2	Very high	95.5	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	161.1	-176.9	-56.3	0	0	0	0	111	I194 Y196 V197 T215 V216 M218 T248 I273	I194-V203 HydrophobicContact CD1-CG2 3.79Å; I194-V203 HydrophobicContact CG2-CB 3.96Å; I194-V203 HydrophobicContact CG2-CG1 4.25Å; I194-V203 HydrophobicContact CG2-CG2 4.43Å; Y196-V203 CarbonylContact O-C 3.6Å; Y196-V203 WeakPolarHBondContact O-CA 3.49Å; Y196-V203 WeakPolarHBondContact O-CB 3.5Å; V197-V203 HydrophobicContact CB-CG1 4.48Å; V197-V203 HydrophobicContact CG1-CG1 4.32Å; V197-V203 HydrophobicContact CG2-CG1 4.1Å; V203-T215 CarbonylContact O-C 3.52Å; V203-T215 WeakPolarHBondContact O-CA 3.33Å; V203-V216 HydrophobicContact CG2-CB 4.2Å; V203-V216 PolarHBondContact N-O 3.41Å; V203-V216 PolarHBondContact O-N 2.81Å; V203-M218 HydrophobicContact CG1-CE 4.15Å; V203-T248 HydrophobicContact CG1-CG2 4.11Å; V203-I273 HydrophobicContact CG2-CD1 3.37Å
204	R	97.1	Very high	95.4	Very high	98 Å²	98	34.6 Å²	34.6	37%	0.37	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.8	163.3	-169.3	-179.4	-69.7	166.5	-1.3	108.3	D195 Y196 P213 I214	D195-R204 PolarHBondContact N-O 3.44Å; Y196-R204 PolarHBondContact N-O 2.88Å; Y196-R204 PolarHBondContact O-N 3.01Å; R204-P213 HydrophobicContact CG-CB 4.47Å; R204-I214 CarbonylContact C-O 3.57Å; R204-I214 VanDerWaalsContact CA-O 3.3Å; R204-I214 WeakPolarHBondContact CA-O 3.3Å
205	A	97.5	Very high	95.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	144.5	177.8	0	0	0	0	0	110.2	A192 I193 I194 P213 I214 V216 I259	A192-A205 HydrophobicContact CB-CB 4.1Å; I193-A205 CarbonylContact O-C 3.5Å; I193-A205 WeakPolarHBondContact O-CA 3.35Å; I194-A205 HydrophobicContact CD1-CB 3.65Å; A205-P213 CarbonylContact O-C 3.52Å; A205-P213 VanDerWaalsContact O-CA 3.29Å; A205-P213 WeakPolarHBondContact O-CA 3.38Å; A205-I214 HydrophobicContact CB-CG1 4.24Å; A205-I214 PolarHBondContact N-O 3.28Å; A205-I214 PolarHBondContact O-N 2.89Å; A205-V216 HydrophobicContact CB-CG2 4.37Å; A205-I259 HydrophobicContact CB-CD1 3.41Å; A205-I259 VanDerWaalsContact CB-CD1 3.41Å
206	I	95.7	Very high	95.4	Very high	16 Å²	16	33.8 Å²	33.8	8%	0.082	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	109	169.6	-62.7	171.7	0	0	0	107	A192 I193 D195 Y211	A192-I206 CarbonylContact C-O 3.56Å; A192-I206 WeakPolarHBondContact CA-O 3.2Å; A192-I206 WeakPolarHBondContact CB-O 3.49Å; I193-I206 PolarHBondContact N-O 3.24Å; I193-I206 PolarHBondContact O-N 3.28Å; D195-I206 HydrophobicContact CB-CD1 3.7Å; D195-I206 HydrophobicContact CB-CG1 3.86Å; I206-Y211 HydrophobicContact CG2-CD1 4.09Å
207	V	95.6	Very high	95.5	Very high	8 Å²	8	31.5 Å²	31.5	5%	0.048	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	131	178.7	172.4	0	0	0	0	110.2	F181 I190 Y211 T212 I214	F181-V207 HydrophobicContact CZ-CG1 4.48Å; I190-V207 HydrophobicContact CG2-CG1 3.52Å; V207-Y211 CarbonylContact O-C 3.57Å; V207-Y211 WeakPolarHBondContact O-CA 3.48Å; V207-Y211 PolarHBondContact O-N 3.22Å; V207-T212 PolarHBondContact N-O 2.85Å; V207-T212 PolarHBondContact O-N 3.35Å; V207-I214 HydrophobicContact CG2-CD1 3.51Å; V207-I214 HydrophobicContact CG2-CG1 3.8Å; V207-I214 HydrophobicContact CG2-CG2 4.44Å
208	L	94.7	Very high	95.5	Very high	47 Å²	47	31.7 Å²	31.7	25%	0.246	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	150.8	178.4	-60.7	178.1	0	0	0	111	K191 I193 Y211	K191-L208 HydrophobicContact CB-CB 4.38Å; K191-L208 PolarHBondContact O-N 3.02Å; I193-L208 HydrophobicContact CD1-CD1 4.17Å; I193-L208 HydrophobicContact CD1-CD2 4.49Å; I193-L208 HydrophobicContact CG1-CD1 4.22Å; L208-Y211 HydrophobicContact CD2-CD1 3.67Å; L208-Y211 HydrophobicContact CD2-CE1 3.54Å
209	P	90.9	Very high	95.6	Very high	100 Å²	100	27 Å²	27	65%	0.649	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	cis	-87.8	-4.4	1.6	35.1	-35.4	0	0	0	114.5	Y211	P209-Y211 WeakPolarHBondContact O-CD2 3.41Å; P209-Y211 WeakPolarHBondContact O-CE2 3.47Å; P209-Y211 PolarHBondContact O-N 2.94Å
210	N	89.1	Confident	95.5	Very high	101 Å²	101	27 Å²	27	54%	0.54	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-0.9	-171	-63.1	-14.1	0	0	0	114.8	T212	N210-T212 PolarHBondContact O-N 3.48Å
211	Y	92.1	Very high	95.5	Very high	56 Å²	56	27.4 Å²	27.4	22%	0.22	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	31.8	-178.4	-52.7	-76.6	0	0	0	114.5	W75 R169 I206 V207 L208 P209 P213	W75-Y211 HydrophobicContact CD2-CE1 4.25Å; W75-Y211 AromaticContact CE2-CE1 3.48Å; W75-Y211 VanDerWaalsContact CE2-CE1 3.48Å; W75-Y211 HydrophobicContact CH2-CD1 4.4Å; W75-Y211 HydrophobicContact CH2-CE1 4.38Å; W75-Y211 HydrophobicContact CZ2-CD1 4.01Å; W75-Y211 AromaticContact CZ2-CE1 3.57Å; W75-Y211 HydrophobicContact CZ2-CE1 3.57Å; W75-Y211 AromaticContact NE1-CE1 3.54Å; W75-Y211 AromaticContact NE1-CZ 3.87Å; R169-Y211 HydrophobicContact CB-CD2 3.95Å; R169-Y211 HydrophobicContact CB-CE2 4.16Å; R169-Y211 HydrophobicContact CG-CD2 3.88Å; R169-Y211 HydrophobicContact CG-CE2 3.66Å; R169-Y211 HydrophobicContact CG-CG 4.39Å; I206-Y211 HydrophobicContact CG2-CD1 4.09Å; V207-Y211 CarbonylContact O-C 3.57Å; V207-Y211 WeakPolarHBondContact O-CA 3.48Å; V207-Y211 PolarHBondContact O-N 3.22Å; L208-Y211 HydrophobicContact CD2-CD1 3.67Å; L208-Y211 HydrophobicContact CD2-CE1 3.54Å; P209-Y211 WeakPolarHBondContact O-CD2 3.41Å; P209-Y211 WeakPolarHBondContact O-CE2 3.47Å; P209-Y211 PolarHBondContact O-N 2.94Å; Y211-P213 WeakPolarHBondContact O-CD 3.43Å
212	T	93	Very high	95.4	Very high	9 Å²	9	33.4 Å²	33.4	6%	0.055	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	116.9	-177	-52.3	0	0	0	0	110.3	V172 V175 V207 N210 I214	V172-T212 HydrophobicContact CB-CG2 4.49Å; V172-T212 WeakPolarHBondContact O-CA 3.46Å; V172-T212 WeakPolarHBondContact O-CG2 3.43Å; V175-T212 HydrophobicContact CG2-CG2 3.55Å; V207-T212 PolarHBondContact N-O 2.85Å; V207-T212 PolarHBondContact O-N 3.35Å; N210-T212 PolarHBondContact O-N 3.48Å; T212-I214 HydrophobicContact CG2-CG2 4.37Å
213	P	94	Very high	95.4	Very high	21 Å²	21	33.5 Å²	33.5	14%	0.136	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	127.4	177.9	30.3	-26.2	0	0	0	110.4	V172 W173 R204 A205 Y211	V172-P213 WeakPolarHBondContact O-CD 3.37Å; W173-P213 HydrophobicContact CE3-CG 4.01Å; R204-P213 HydrophobicContact CG-CB 4.47Å; A205-P213 CarbonylContact O-C 3.52Å; A205-P213 VanDerWaalsContact O-CA 3.29Å; A205-P213 WeakPolarHBondContact O-CA 3.38Å; Y211-P213 WeakPolarHBondContact O-CD 3.43Å
214	I	94.9	Very high	95.3	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.026	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.7	176	61.5	169.8	0	0	0	110.6	V175 R204 A205 V207 T212 V216 I261 F269	V175-I214 HydrophobicContact CG2-CG2 3.91Å; R204-I214 CarbonylContact C-O 3.57Å; R204-I214 VanDerWaalsContact CA-O 3.3Å; R204-I214 WeakPolarHBondContact CA-O 3.3Å; A205-I214 HydrophobicContact CB-CG1 4.24Å; A205-I214 PolarHBondContact N-O 3.28Å; A205-I214 PolarHBondContact O-N 2.89Å; V207-I214 HydrophobicContact CG2-CD1 3.51Å; V207-I214 HydrophobicContact CG2-CG1 3.8Å; V207-I214 HydrophobicContact CG2-CG2 4.44Å; T212-I214 HydrophobicContact CG2-CG2 4.37Å; I214-V216 HydrophobicContact CD1-CG2 3.65Å; I214-V216 HydrophobicContact CG1-CG2 3.81Å; I214-I261 HydrophobicContact CD1-CD1 3.83Å; I214-F269 HydrophobicContact CB-CD2 3.77Å; I214-F269 HydrophobicContact CB-CE2 3.9Å; I214-F269 HydrophobicContact CD1-CD2 4.42Å; I214-F269 HydrophobicContact CG2-CD2 4.1Å; I214-F269 HydrophobicContact CG2-CE2 3.72Å; I214-F269 HydrophobicContact CG2-CZ 4.39Å
215	T	96.4	Very high	95.2	Very high	39 Å²	39	30.3 Å²	30.3	24%	0.239	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	119.7	169.4	-56.9	0	0	0	0	108.5	T202 V203 N268 F269	T202-T215 HydrophobicContact CG2-CG2 3.89Å; V203-T215 CarbonylContact O-C 3.52Å; V203-T215 WeakPolarHBondContact O-CA 3.33Å; T215-N268 WeakPolarHBondContact CB-OD1 3.47Å; T215-N268 VanDerWaalsContact CG2-OD1 3.27Å; T215-N268 WeakPolarHBondContact CG2-OD1 3.44Å; T215-F269 PolarHBondContact O-N 3.41Å
216	V	97.5	Very high	95	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.5	179.9	-174.6	0	0	0	0	108.9	T202 V203 A205 I214 I259 I261 F269 I273	T202-V216 WeakPolarHBondContact CA-O 3.42Å; V203-V216 HydrophobicContact CG2-CB 4.2Å; V203-V216 PolarHBondContact N-O 3.41Å; V203-V216 PolarHBondContact O-N 2.81Å; A205-V216 HydrophobicContact CB-CG2 4.37Å; I214-V216 HydrophobicContact CD1-CG2 3.65Å; I214-V216 HydrophobicContact CG1-CG2 3.81Å; V216-I259 HydrophobicContact CG1-CG2 4.21Å; V216-I259 HydrophobicContact CG2-CD1 4.16Å; V216-I259 HydrophobicContact CG2-CG2 4.44Å; V216-I261 HydrophobicContact CG2-CD1 4.44Å; V216-F269 CarbonylContact C-O 2.93Å; V216-F269 WeakPolarHBondContact CA-O 2.94Å; V216-F269 HydrophobicContact CG2-CB 4.49Å; V216-I273 HydrophobicContact CB-CD1 4.45Å; V216-I273 HydrophobicContact CG1-CD1 4.12Å; V216-I273 HydrophobicContact CG1-CG1 4.26Å
217	M	97.7	Very high	94.7	Very high	55 Å²	55	37.7 Å²	37.7	27%	0.271	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.3	165.7	-60.6	179.2	79.7	0	0	107.4	T202 S219 N268 F269 L270 G271	T202-M217 HydrophobicContact CG2-CG 3.83Å; M217-S219 PolarHBondContact O-N 2.77Å; M217-N268 HydrophobicContact CG-CB 4.08Å; M217-N268 HydrophobicContact SD-CB 3.81Å; M217-F269 PolarHBondContact N-O 3.36Å; M217-L270 HydrophobicContact CB-CD2 4.02Å; M217-L270 WeakPolarHBondContact O-CA 3.46Å; M217-G271 PolarHBondContact O-N 3.18Å; M217-G271 VanDerWaalsContact O-N 3.11Å
218	M	97.6	Very high	94.2	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.015	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	121.7	-178.4	-65.2	175.2	-163.9	0	0	109.9	G200 S201 V203 I221 T248 L252 G271 I273 I280 A281 L284	G200-M218 WeakPolarHBondContact O-CE 3.26Å; S201-M218 WeakPolarHBondContact O-CG 3.23Å; S201-M218 PolarHBondContact O-N 2.92Å; V203-M218 HydrophobicContact CG1-CE 4.15Å; M218-I221 HydrophobicContact CB-CD1 4.02Å; M218-I221 HydrophobicContact CB-CG1 3.7Å; M218-I221 HydrophobicContact SD-CD1 3.95Å; M218-T248 HydrophobicContact CE-CG2 4.01Å; M218-L252 HydrophobicContact CE-CD1 4.32Å; M218-G271 VanDerWaalsContact CA-O 3.29Å; M218-G271 WeakPolarHBondContact CA-O 3.36Å; M218-I273 HydrophobicContact CE-CD1 4.23Å; M218-I273 HydrophobicContact CG-CD1 4.22Å; M218-I280 HydrophobicContact CE-CG1 4.22Å; M218-I280 HydrophobicContact CE-CG2 3.49Å; M218-I280 VanDerWaalsContact CE-CG2 3.49Å; M218-I280 HydrophobicContact SD-CG2 3.57Å; M218-I280 VanDerWaalsContact SD-CG2 3.57Å; M218-A281 HydrophobicContact CB-CB 4.47Å; M218-A281 HydrophobicContact SD-CB 4.38Å; M218-L284 HydrophobicContact CE-CD1 4.27Å; M218-L284 HydrophobicContact SD-CD1 3.77Å
219	S	95.7	Very high	93.7	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.014	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	144.3	-179.5	-70.9	0	0	0	0	112.1	M217 I221 E262 G271	M217-S219 PolarHBondContact O-N 2.77Å; S219-I221 PolarHBondContact O-N 2.9Å; S219-E262 WeakPolarHBondContact CB-OE2 3.46Å; S219-E262 PolarHBondContact OG-OE2 3.4Å; S219-G271 PolarHBondContact N-O 3.02Å; S219-G271 WeakPolarHBondContact OG-CA 3.32Å; S219-G271 PolarHBondContact OG-N 3.33Å
220	G	94.5	Very high	92.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	-4.3	176.1	0	0	0	0	0	116.5	C292 V293 T296	G220-C292 CarbonylContact O-C 3.54Å; G220-C292 VanDerWaalsContact O-CA 3.29Å; G220-C292 WeakPolarHBondContact O-CA 3.15Å; G220-V293 PolarHBondContact O-N 2.88Å; G220-T296 WeakPolarHBondContact CA-OG1 3.36Å; G220-T296 PolarHBondContact N-OG1 3.15Å
221	I	97.3	Very high	92.2	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.041	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	160.4	-178.3	71.1	157.5	0	0	0	113.1	M218 S219 A281 L284 L285 A290 R291 L307	M218-I221 HydrophobicContact CB-CD1 4.02Å; M218-I221 HydrophobicContact CB-CG1 3.7Å; M218-I221 HydrophobicContact SD-CD1 3.95Å; S219-I221 PolarHBondContact O-N 2.9Å; I221-A281 HydrophobicContact CD1-CB 3.57Å; I221-A281 HydrophobicContact CG1-CB 4.01Å; I221-A281 HydrophobicContact CG2-CB 4.23Å; I221-L284 HydrophobicContact CD1-CB 4.25Å; I221-L284 HydrophobicContact CD1-CD1 3.86Å; I221-L285 HydrophobicContact CB-CD2 4.37Å; I221-L285 HydrophobicContact CG2-CD1 3.49Å; I221-L285 VanDerWaalsContact CG2-CD1 3.49Å; I221-L285 HydrophobicContact CG2-CD2 3.87Å; I221-L285 HydrophobicContact CG2-CG 3.68Å; I221-A290 HydrophobicContact CB-CB 4.24Å; I221-A290 HydrophobicContact CD1-CB 4.02Å; I221-R291 CarbonylContact C-O 3.55Å; I221-R291 VanDerWaalsContact CA-O 3.29Å; I221-R291 WeakPolarHBondContact CA-O 3.34Å; I221-L307 HydrophobicContact CG2-CD1 4.1Å
222	R	96.2	Very high	91.4	Very high	130 Å²	130	44.2 Å²	44.2	49%	0.491	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	128.3	167.2	-177.9	172.7	-178.8	-179.6	0.7	110.3	A290 R291 V293	R222-A290 CarbonylContact O-C 3.56Å; R222-A290 VanDerWaalsContact O-CA 3.28Å; R222-A290 WeakPolarHBondContact O-CA 3.42Å; R222-R291 PolarHBondContact N-O 2.93Å; R222-R291 PolarHBondContact O-N 3.39Å; R222-V293 HydrophobicContact CB-CG2 3.52Å
223	S	97.3	Very high	90.9	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.021	28%	0.281	C	S	.	.			trans	-92.1	159.7	170.7	-74.6	0	0	0	0	111.6	S201 T225 F289	S201-S223 PolarHBondContact OG-N 3.14Å; S223-T225 WeakPolarHBondContact O-CG2 3.5Å; S223-F289 WeakPolarHBondContact CA-O 3.37Å; S223-F289 WeakPolarHBondContact CB-O 3.29Å; S223-F289 PolarHBondContact OG-O 3.41Å
224	P	96.2	Very high	90.4	Very high	8 Å²	8	50.3 Å²	50.3	5%	0.052	30%	0.298	C	S	.	.			trans	-56.2	140.7	169.6	-22.8	34.5	0	0	0	110.9	E238 P239 A241 F289 L321	P224-E238 HydrophobicContact CB-CB 3.72Å; P224-P239 WeakPolarHBondContact CB-O 3.27Å; P224-P239 WeakPolarHBondContact CG-O 3.42Å; P224-A241 HydrophobicContact CB-CB 3.84Å; P224-F289 WeakPolarHBondContact CD-O 3.41Å; P224-L321 HydrophobicContact CG-CD1 3.94Å; P224-L321 HydrophobicContact CG-CD2 3.62Å; P224-L321 HydrophobicContact CG-CG 4.21Å
225	T	94.6	Very high	90.1	Very high	26 Å²	26	55.1 Å²	55.1	16%	0.16	33%	0.327	C	S	.	.			trans	-115.3	171.9	-170.7	63.1	0	0	0	0	111.7	S223 E238	S223-T225 WeakPolarHBondContact O-CG2 3.5Å; T225-E238 WeakPolarHBondContact CA-OE2 3.43Å; T225-E238 WeakPolarHBondContact CB-OE2 3.45Å; T225-E238 PolarHBondContact N-OE2 2.83Å; T225-E238 WeakPolarHBondContact O-CB 3.33Å; T225-E238 WeakPolarHBondContact O-CG 3.48Å; T225-E238 PolarHBondContact O-N 2.62Å; T225-E238 PolarHBondContact OG1-OE2 3.41Å
226	F	94	Very high	89.8	Confident	34 Å²	34	54.4 Å²	54.4	15%	0.149	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	136.5	176.6	-60.8	-87	0	0	0	109.7	R198 D199 I234 G236 A237 A241 E242 K245	R198-F226 WeakPolarHBondContact O-CE2 3.39Å; D199-F226 HydrophobicContact CB-CD2 4.46Å; D199-F226 HydrophobicContact CB-CE2 4.36Å; F226-I234 HydrophobicContact CB-CD1 4.21Å; F226-I234 HydrophobicContact CB-CG1 4.14Å; F226-I234 HydrophobicContact CB-CG2 4.03Å; F226-I234 HydrophobicContact CD1-CD1 4.13Å; F226-I234 HydrophobicContact CD1-CG2 3.9Å; F226-I234 HydrophobicContact CG-CD1 4.11Å; F226-I234 HydrophobicContact CG-CG2 4.37Å; F226-G236 CarbonylContact C-O 3.53Å; F226-A237 HydrophobicContact CD1-CB 3.86Å; F226-A237 HydrophobicContact CE1-CB 3.99Å; F226-A241 HydrophobicContact CE1-CB 4.18Å; F226-A241 HydrophobicContact CE2-CB 4.38Å; F226-A241 HydrophobicContact CZ-CB 4.07Å; F226-E242 HydrophobicContact CE1-CG 3.91Å; F226-E242 HydrophobicContact CZ-CG 4.35Å; F226-K245 HydrophobicContact CE2-CB 4.16Å; F226-K245 HydrophobicContact CE2-CD 3.76Å; F226-K245 HydrophobicContact CZ-CB 4.13Å; F226-K245 HydrophobicContact CZ-CD 3.82Å
227	K	89.6	Confident	89.5	Confident	137 Å²	137	56.6 Å²	56.6	60%	0.596	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	125.7	171.4	-64.9	-176.2	-179.5	179.9	0	108.7	I234 V235 G236	K227-I234 WeakPolarHBondContact O-CA 3.41Å; K227-V235 HydrophobicContact CB-CG2 4.07Å; K227-V235 WeakPolarHBondContact O-CG2 2.87Å; K227-V235 PolarHBondContact O-N 2.94Å; K227-G236 PolarHBondContact N-O 3.18Å; K227-G236 PolarHBondContact O-N 3.31Å
228	L	86.1	Confident	89.3	Confident	115 Å²	115	57.3 Å²	57.3	60%	0.602	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.5	177.5	-55.9	176.2	0	0	0	108.9	A233 I234	L228-A233 CarbonylContact C-O 3.57Å; L228-A233 WeakPolarHBondContact CA-O 3.39Å; L228-I234 HydrophobicContact CD2-CG1 3.96Å
229	G	82.5	Confident	89	Confident	23 Å²	23	61.7 Å²	61.7	24%	0.237	38%	0.377	C	S	.	.			trans	-88.4	-175.7	171	0	0	0	0	0	112.2	G231 G232 A233	G229-G231 PolarHBondContact O-N 2.84Å; G229-G232 PolarHBondContact O-N 3.33Å; G229-A233 PolarHBondContact N-O 3.15Å
230	D	75.4	Confident	88.9	Confident	177 Å²	177	63.8 Å²	63.8	95%	0.947	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	124.1	172.7	-67.9	-25.8	0	0	0	109.9
231	G	73.8	Confident	89	Confident	88 Å²	88	63.8 Å²	63.8	91%	0.907	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.1	2.6	-174.3	0	0	0	0	0	115.6	G229 A233	G229-G231 PolarHBondContact O-N 2.84Å; G231-A233 PolarHBondContact O-N 3.14Å
232	G	75	Confident	88.7	Confident	46 Å²	46	67.9 Å²	67.9	47%	0.474	40%	0.403	S	S	.	.	S	Bend	trans	82.1	7.9	171.9	0	0	0	0	0	115.3	G229	G229-G232 PolarHBondContact O-N 3.33Å
233	A	82.3	Confident	88.6	Confident	63 Å²	63	65.3 Å²	65.3	52%	0.521	40%	0.397	S	S	.	.			trans	-70.7	144.1	171.4	0	0	0	0	0	110.9	L228 G229 G231 V235	L228-A233 CarbonylContact C-O 3.57Å; L228-A233 WeakPolarHBondContact CA-O 3.39Å; G229-A233 PolarHBondContact N-O 3.15Å; G231-A233 PolarHBondContact O-N 3.14Å; A233-V235 PolarHBondContact O-N 3.19Å
234	I	83.3	Confident	88.6	Confident	95 Å²	95	65.2 Å²	65.2	49%	0.487	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	114.7	176.3	-63.3	171.8	0	0	0	108.5	F226 K227 L228	F226-I234 HydrophobicContact CB-CD1 4.21Å; F226-I234 HydrophobicContact CB-CG1 4.14Å; F226-I234 HydrophobicContact CB-CG2 4.03Å; F226-I234 HydrophobicContact CD1-CD1 4.13Å; F226-I234 HydrophobicContact CD1-CG2 3.9Å; F226-I234 HydrophobicContact CG-CD1 4.11Å; F226-I234 HydrophobicContact CG-CG2 4.37Å; K227-I234 WeakPolarHBondContact O-CA 3.41Å; L228-I234 HydrophobicContact CD2-CG1 3.96Å
235	V	88.8	Confident	88.6	Confident	106 Å²	106	66.6 Å²	66.6	64%	0.642	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	-11.6	177.5	-64.8	0	0	0	0	112.7	K227 A233	K227-V235 HydrophobicContact CB-CG2 4.07Å; K227-V235 WeakPolarHBondContact O-CG2 2.87Å; K227-V235 PolarHBondContact O-N 2.94Å; A233-V235 PolarHBondContact O-N 3.19Å
236	G	89.8	Confident	88.5	Confident	24 Å²	24	67.5 Å²	67.5	25%	0.247	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	166.6	175.8	0	0	0	0	0	112.7	F226 K227	F226-G236 CarbonylContact C-O 3.53Å; K227-G236 PolarHBondContact N-O 3.18Å; K227-G236 PolarHBondContact O-N 3.31Å
237	A	91.1	Very high	88.5	Confident	46 Å²	46	66.9 Å²	66.9	38%	0.38	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.6	179.3	0	0	0	0	0	109.5	F226 A241	F226-A237 HydrophobicContact CD1-CB 3.86Å; F226-A237 HydrophobicContact CE1-CB 3.99Å; A237-A241 HydrophobicContact CB-CB 4.19Å
238	E	93.6	Very high	88.9	Confident	69 Å²	69	60.4 Å²	60.4	32%	0.322	37%	0.371	S	S	.	.			trans	-64.5	153.2	165.3	-69.8	-177.3	101.2	0	0	110	P224 T225 Y240 A241	P224-E238 HydrophobicContact CB-CB 3.72Å; T225-E238 WeakPolarHBondContact CA-OE2 3.43Å; T225-E238 WeakPolarHBondContact CB-OE2 3.45Å; T225-E238 PolarHBondContact N-OE2 2.83Å; T225-E238 WeakPolarHBondContact O-CB 3.33Å; T225-E238 WeakPolarHBondContact O-CG 3.48Å; T225-E238 PolarHBondContact O-N 2.62Å; T225-E238 PolarHBondContact OG1-OE2 3.41Å; E238-Y240 PolarHBondContact O-N 3.36Å; E238-A241 HydrophobicContact CB-CB 4.47Å; E238-A241 WeakPolarHBondContact O-CB 3.46Å; E238-A241 PolarHBondContact O-N 3.14Å
239	P	92.5	Very high	89.3	Confident	95 Å²	95	56 Å²	56	62%	0.617	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	131.1	176.9	-27.7	35.2	0	0	0	112	P224 A241	P224-P239 WeakPolarHBondContact CB-O 3.27Å; P224-P239 WeakPolarHBondContact CG-O 3.42Å; P239-A241 VanDerWaalsContact C-N 3.27Å; P239-A241 PolarHBondContact O-N 3.49Å
240	Y	93.9	Very high	89.8	Confident	47 Å²	47	57.4 Å²	57.4	18%	0.184	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	7.5	-176.4	-44	-70	0	0	0	116.5	E238 E243 A244 R320 L321 K323	E238-Y240 PolarHBondContact O-N 3.36Å; Y240-E243 VanDerWaalsContact CA-OE2 3.23Å; Y240-E243 WeakPolarHBondContact CA-OE2 3.37Å; Y240-E243 PolarHBondContact O-N 3.32Å; Y240-A244 WeakPolarHBondContact O-CB 3.38Å; Y240-A244 PolarHBondContact O-N 3.39Å; Y240-R320 HydrophobicContact CD1-CB 4.08Å; Y240-R320 HydrophobicContact CD1-CG 4.24Å; Y240-R320 HydrophobicContact CD2-CB 4.03Å; Y240-R320 HydrophobicContact CE1-CB 4.16Å; Y240-R320 HydrophobicContact CE1-CG 4.33Å; Y240-R320 HydrophobicContact CE2-CB 4.12Å; Y240-R320 WeakPolarHBondContact CE2-O 3.35Å; Y240-R320 HydrophobicContact CG-CB 4.01Å; Y240-R320 PolarHBondContact OH-O 3.46Å; Y240-L321 HydrophobicContact CD2-CD2 3.89Å; Y240-L321 HydrophobicContact CD2-CG 4.29Å; Y240-K323 WeakPolarHBondContact OH-CD 3.38Å; Y240-K323 WeakPolarHBondContact OH-CE 3.29Å; Y240-K323 PolarHBondContact OH-NZ 3.1Å
241	A	95.3	Very high	90.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65.2	-40.2	-178.3	0	0	0	0	0	112.8	P224 F226 A237 E238 P239 A244 K245	P224-A241 HydrophobicContact CB-CB 3.84Å; F226-A241 HydrophobicContact CE1-CB 4.18Å; F226-A241 HydrophobicContact CE2-CB 4.38Å; F226-A241 HydrophobicContact CZ-CB 4.07Å; A237-A241 HydrophobicContact CB-CB 4.19Å; E238-A241 HydrophobicContact CB-CB 4.47Å; E238-A241 WeakPolarHBondContact O-CB 3.46Å; E238-A241 PolarHBondContact O-N 3.14Å; P239-A241 VanDerWaalsContact C-N 3.27Å; P239-A241 PolarHBondContact O-N 3.49Å; A241-A244 PolarHBondContact O-N 3.02Å; A241-K245 WeakPolarHBondContact O-CB 3.31Å; A241-K245 PolarHBondContact O-N 3.48Å
242	E	92.7	Very high	91.8	Very high	93 Å²	93	50 Å²	50	44%	0.435	29%	0.285	S	S	.	.	H	α-helix	trans	-64.8	-45.7	177.4	-68.8	-173.9	171.2	0	0	111.4	P40 F226 K245 Y246	P40-E242 WeakPolarHBondContact CD-OE2 3.28Å; P40-E242 HydrophobicContact CG-CB 4.4Å; P40-E242 WeakPolarHBondContact CG-OE2 3.42Å; F226-E242 HydrophobicContact CE1-CG 3.91Å; F226-E242 HydrophobicContact CZ-CG 4.35Å; E242-K245 PolarHBondContact O-N 3.2Å; E242-Y246 VanDerWaalsContact O-CB 3.31Å; E242-Y246 WeakPolarHBondContact O-CB 3.04Å; E242-Y246 PolarHBondContact O-N 2.81Å
243	E	93.5	Very high	92.8	Very high	77 Å²	77	48 Å²	48	36%	0.36	26%	0.264	S	S	.	.	H	α-helix	trans	-68.2	-36.9	179.1	-59	99.8	124	0	0	111.8	Y240 Y246 F247 F289	Y240-E243 VanDerWaalsContact CA-OE2 3.23Å; Y240-E243 WeakPolarHBondContact CA-OE2 3.37Å; Y240-E243 PolarHBondContact O-N 3.32Å; E243-Y246 PolarHBondContact O-N 2.82Å; E243-F247 VanDerWaalsContact O-CB 3.24Å; E243-F247 WeakPolarHBondContact O-CB 3.4Å; E243-F247 PolarHBondContact O-N 3.24Å; E243-F289 HydrophobicContact CB-CE1 3.51Å; E243-F289 HydrophobicContact CB-CZ 3.99Å
244	A	96.1	Very high	93.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.5	-42.8	174.8	0	0	0	0	0	111.9	G200 Y240 A241 F247 T248 F289	G200-A244 WeakPolarHBondContact CA-O 3.48Å; Y240-A244 WeakPolarHBondContact O-CB 3.38Å; Y240-A244 PolarHBondContact O-N 3.39Å; A241-A244 PolarHBondContact O-N 3.02Å; A244-F247 WeakPolarHBondContact O-CB 3.33Å; A244-F247 PolarHBondContact O-N 2.88Å; A244-T248 PolarHBondContact O-N 3.05Å; A244-T248 PolarHBondContact O-OG1 2.98Å; A244-F289 HydrophobicContact CB-CB 3.91Å; A244-F289 HydrophobicContact CB-CD1 3.69Å; A244-F289 HydrophobicContact CB-CE1 4.45Å; A244-F289 HydrophobicContact CB-CG 4.05Å
245	K	96.1	Very high	94.2	Very high	38 Å²	38	43.3 Å²	43.3	17%	0.165	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-50.4	173.2	177.6	177.4	175	173.3	0	110.4	V197 F226 A241 E242 F247 T248 E249	V197-K245 HydrophobicContact CG1-CG 4.08Å; V197-K245 VanDerWaalsContact O-CE 3.26Å; V197-K245 WeakPolarHBondContact O-CE 3.5Å; F226-K245 HydrophobicContact CE2-CB 4.16Å; F226-K245 HydrophobicContact CE2-CD 3.76Å; F226-K245 HydrophobicContact CZ-CB 4.13Å; F226-K245 HydrophobicContact CZ-CD 3.82Å; A241-K245 WeakPolarHBondContact O-CB 3.31Å; A241-K245 PolarHBondContact O-N 3.48Å; E242-K245 PolarHBondContact O-N 3.2Å; K245-F247 VanDerWaalsContact C-N 3.3Å; K245-F247 PolarHBondContact O-N 2.78Å; K245-T248 PolarHBondContact O-N 3.11Å; K245-T248 VanDerWaalsContact O-N 3.15Å; K245-E249 WeakPolarHBondContact CE-OE1 3.49Å; K245-E249 HydrophobicContact CG-CG 4.27Å; K245-E249 WeakPolarHBondContact O-CG 3.49Å; K245-E249 PolarHBondContact O-N 3.2Å
246	Y	93.4	Very high	94.6	Very high	45 Å²	45	41.6 Å²	41.6	18%	0.176	22%	0.216	C	C	.	.	H	α-helix	trans	-59.3	-40.2	177.6	173.8	-107.5	0	0	0	112.3	R33 P36 P41 E242 E243 T248 E249 C250	R33-Y246 PolarHBondContact NH1-OH 3.02Å; P36-Y246 HydrophobicContact CG-CE1 4.5Å; P41-Y246 VanDerWaalsContact CD-CE2 3.49Å; P41-Y246 HydrophobicContact CG-CD2 4.15Å; P41-Y246 HydrophobicContact CG-CE2 3.54Å; E242-Y246 VanDerWaalsContact O-CB 3.31Å; E242-Y246 WeakPolarHBondContact O-CB 3.04Å; E242-Y246 PolarHBondContact O-N 2.81Å; E243-Y246 PolarHBondContact O-N 2.82Å; Y246-T248 VanDerWaalsContact C-N 3.25Å; Y246-T248 PolarHBondContact O-N 2.8Å; Y246-E249 PolarHBondContact O-N 2.81Å; Y246-C250 HydrophobicContact CE2-CB 4.46Å; Y246-C250 PolarHBondContact O-N 2.76Å; Y246-C250 PolarHBondContact O-SG 2.93Å
247	F	94.7	Very high	95	Very high	21 Å²	21	40.8 Å²	40.8	9%	0.092	21%	0.206	C	C	.	.	H	α-helix	trans	-58.8	-38.4	177.4	-173.5	-88.7	0	0	0	112.4	E243 A244 K245 C250 R251 I280 L284 E287 F289	E243-F247 VanDerWaalsContact O-CB 3.24Å; E243-F247 WeakPolarHBondContact O-CB 3.4Å; E243-F247 PolarHBondContact O-N 3.24Å; A244-F247 WeakPolarHBondContact O-CB 3.33Å; A244-F247 PolarHBondContact O-N 2.88Å; K245-F247 VanDerWaalsContact C-N 3.3Å; K245-F247 PolarHBondContact O-N 2.78Å; F247-C250 PolarHBondContact O-SG 2.98Å; F247-R251 VanDerWaalsContact CE2-CZ 3.49Å; F247-R251 VanDerWaalsContact CZ-CZ 3.5Å; F247-R251 PolarHBondContact O-NH1 2.83Å; F247-R251 VanDerWaalsContact O-NH1 3.1Å; F247-I280 HydrophobicContact CD1-CD1 4.28Å; F247-I280 HydrophobicContact CE1-CD1 4.09Å; F247-L284 HydrophobicContact CD1-CD2 3.63Å; F247-L284 HydrophobicContact CD1-CG 4.15Å; F247-L284 HydrophobicContact CE1-CD2 4.24Å; F247-L284 HydrophobicContact CE1-CG 4.34Å; F247-L284 HydrophobicContact CG-CD2 4.41Å; F247-E287 HydrophobicContact CE2-CB 4.4Å; F247-E287 HydrophobicContact CE2-CG 3.87Å; F247-E287 HydrophobicContact CZ-CB 4.42Å; F247-E287 HydrophobicContact CZ-CG 3.85Å; F247-F289 HydrophobicContact CB-CD2 4.12Å; F247-F289 HydrophobicContact CB-CE2 3.89Å; F247-F289 HydrophobicContact CB-CZ 4.34Å; F247-F289 HydrophobicContact CD1-CD2 4.29Å; F247-F289 AromaticContact CD2-CD2 3.89Å; F247-F289 HydrophobicContact CD2-CD2 3.89Å; F247-F289 AromaticContact CD2-CE2 3.38Å; F247-F289 HydrophobicContact CD2-CE2 3.38Å; F247-F289 HydrophobicContact CD2-CZ 4.31Å; F247-F289 HydrophobicContact CE2-CD2 4.34Å; F247-F289 AromaticContact CE2-CE2 3.99Å; F247-F289 HydrophobicContact CE2-CE2 3.99Å; F247-F289 AromaticContact CG-CD2 3.85Å; F247-F289 HydrophobicContact CG-CD2 3.85Å; F247-F289 AromaticContact CG-CE2 3.71Å; F247-F289 HydrophobicContact CG-CE2 3.71Å
248	T	97.1	Very high	95.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-78	-44	176.7	-58	0	0	0	0	111.5	V197 G200 V203 M218 A244 K245 Y246 C250 R251 L252 I280	V197-T248 HydrophobicContact CG1-CG2 3.81Å; V197-T248 HydrophobicContact CG2-CG2 4.15Å; G200-T248 WeakPolarHBondContact CA-OG1 3.49Å; G200-T248 PolarHBondContact O-OG1 3.2Å; V203-T248 HydrophobicContact CG1-CG2 4.11Å; M218-T248 HydrophobicContact CE-CG2 4.01Å; A244-T248 PolarHBondContact O-N 3.05Å; A244-T248 PolarHBondContact O-OG1 2.98Å; K245-T248 PolarHBondContact O-N 3.11Å; K245-T248 VanDerWaalsContact O-N 3.15Å; Y246-T248 VanDerWaalsContact C-N 3.25Å; Y246-T248 PolarHBondContact O-N 2.8Å; T248-C250 PolarHBondContact O-N 2.68Å; T248-R251 PolarHBondContact O-N 3.23Å; T248-R251 VanDerWaalsContact O-N 3.14Å; T248-L252 HydrophobicContact CG2-CB 4.49Å; T248-L252 HydrophobicContact CG2-CD1 4.15Å; T248-L252 HydrophobicContact CG2-CG 4.47Å; T248-L252 PolarHBondContact O-N 3.32Å; T248-I280 HydrophobicContact CG2-CG1 4.46Å
249	E	95.2	Very high	95.5	Very high	23 Å²	23	39.1 Å²	39.1	11%	0.107	19%	0.191	C	C	.	.	H	α-helix	trans	-57.1	-47.7	177.9	-76.9	-176.8	156.4	0	0	112.1	K22 V197 K245 Y246 R251 L253	K22-E249 VanDerWaalsContact CE-CD 3.48Å; K22-E249 WeakPolarHBondContact CE-OE2 3.33Å; K22-E249 VanDerWaalsContact NZ-CD 3.28Å; K22-E249 IonicContact NZ-OE1 3.61Å; K22-E249 PolarHBondContact NZ-OE1 2.52Å; K22-E249 VanDerWaalsContact NZ-OE1 3.14Å; K22-E249 IonicContact NZ-OE2 2.75Å; K22-E249 PolarHBondContact NZ-OE2 3.43Å; V197-E249 HydrophobicContact CB-CG 3.68Å; V197-E249 HydrophobicContact CG1-CG 4.06Å; V197-E249 HydrophobicContact CG2-CG 3.85Å; K245-E249 WeakPolarHBondContact CE-OE1 3.49Å; K245-E249 HydrophobicContact CG-CG 4.27Å; K245-E249 WeakPolarHBondContact O-CG 3.49Å; K245-E249 PolarHBondContact O-N 3.2Å; Y246-E249 PolarHBondContact O-N 2.81Å; E249-R251 PolarHBondContact O-N 3.27Å; E249-R251 VanDerWaalsContact O-N 3.08Å; E249-L253 HydrophobicContact CB-CB 4.31Å; E249-L253 HydrophobicContact CB-CD2 4.45Å; E249-L253 HydrophobicContact CG-CD2 4.35Å; E249-L253 WeakPolarHBondContact O-CB 3.31Å; E249-L253 PolarHBondContact O-N 2.89Å
250	C	91.8	Very high	95.7	Very high	53 Å²	53	37.8 Å²	37.8	36%	0.358	17%	0.173	S	C	.	.	H	α-helix	trans	-67.1	-12.1	-177.7	66.7	0	0	0	0	114.3	Y246 F247 T248	Y246-C250 HydrophobicContact CE2-CB 4.46Å; Y246-C250 PolarHBondContact O-N 2.76Å; Y246-C250 PolarHBondContact O-SG 2.93Å; F247-C250 PolarHBondContact O-SG 2.98Å; T248-C250 PolarHBondContact O-N 2.68Å
251	R	93.8	Very high	95.8	Very high	107 Å²	107	35.7 Å²	35.7	40%	0.404	17%	0.165	S	C	.	.	H	α-helix	trans	-109.3	-35.3	-179.6	-75.1	173.3	176.9	70.9	3.5	113.6	F247 T248 E249 Q255 I280	F247-R251 VanDerWaalsContact CE2-CZ 3.49Å; F247-R251 VanDerWaalsContact CZ-CZ 3.5Å; F247-R251 PolarHBondContact O-NH1 2.83Å; F247-R251 VanDerWaalsContact O-NH1 3.1Å; T248-R251 PolarHBondContact O-N 3.23Å; T248-R251 VanDerWaalsContact O-N 3.14Å; E249-R251 PolarHBondContact O-N 3.27Å; E249-R251 VanDerWaalsContact O-N 3.08Å; R251-Q255 VanDerWaalsContact O-CG 3.32Å; R251-Q255 WeakPolarHBondContact O-CG 3.47Å; R251-I280 HydrophobicContact CB-CD1 4.15Å
252	L	97.4	Very high	95.7	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-118.5	-26.8	-169.7	-63.1	-166.8	0	0	0	113.8	I194 M218 T248 Q254 Q255 V257 I273 H275 I280	I194-L252 HydrophobicContact CB-CB 4.39Å; I194-L252 VanDerWaalsContact CB-O 3.32Å; I194-L252 WeakPolarHBondContact CB-O 3.13Å; I194-L252 HydrophobicContact CG1-CB 4.11Å; I194-L252 HydrophobicContact CG2-CB 4.42Å; M218-L252 HydrophobicContact CE-CD1 4.32Å; T248-L252 HydrophobicContact CG2-CB 4.49Å; T248-L252 HydrophobicContact CG2-CD1 4.15Å; T248-L252 HydrophobicContact CG2-CG 4.47Å; T248-L252 PolarHBondContact O-N 3.32Å; L252-Q254 PolarHBondContact O-N 3.41Å; L252-Q254 VanDerWaalsContact O-N 3.08Å; L252-Q255 WeakPolarHBondContact O-CB 3.46Å; L252-Q255 PolarHBondContact O-N 2.97Å; L252-V257 HydrophobicContact CD2-CG1 4.01Å; L252-I273 HydrophobicContact CD1-CG2 3.97Å; L252-H275 HydrophobicContact CD2-CB 3.9Å; L252-I280 HydrophobicContact CD1-CB 3.87Å; L252-I280 HydrophobicContact CD1-CG1 3.85Å; L252-I280 HydrophobicContact CD1-CG2 3.7Å; L252-I280 HydrophobicContact CG-CB 4.42Å; L252-I280 HydrophobicContact CG-CG1 4.22Å
253	L	97.6	Very high	95.8	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.026	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	122.2	-174.6	-176.2	62.6	0	0	0	110.2	K22 Q23 D195 V197 E249 Q255	K22-L253 HydrophobicContact CD-CD2 4.45Å; K22-L253 HydrophobicContact CG-CD2 3.93Å; Q23-L253 HydrophobicContact CB-CD2 4.12Å; D195-L253 WeakPolarHBondContact O-CD1 3.39Å; V197-L253 HydrophobicContact CG2-CB 4.46Å; V197-L253 HydrophobicContact CG2-CD1 4.45Å; E249-L253 HydrophobicContact CB-CB 4.31Å; E249-L253 HydrophobicContact CB-CD2 4.45Å; E249-L253 HydrophobicContact CG-CD2 4.35Å; E249-L253 WeakPolarHBondContact O-CB 3.31Å; E249-L253 PolarHBondContact O-N 2.89Å; L253-Q255 PolarHBondContact O-N 3.13Å
254	Q	97.1	Very high	95.7	Very high	3 Å²	3	32.1 Å²	32.1	1%	0.014	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	29.5	-176.3	-58.9	-173.6	6.3	0	0	114.2	Q23 I24 R82 V86 I194 L252	Q23-Q254 VanDerWaalsContact CB-NE2 3.35Å; I24-Q254 PolarHBondContact O-NE2 2.71Å; R82-Q254 WeakPolarHBondContact CD-O 3.35Å; R82-Q254 HydrophobicContact CG-CB 3.89Å; R82-Q254 WeakPolarHBondContact CG-O 3.4Å; R82-Q254 PolarHBondContact NH1-O 3.26Å; V86-Q254 HydrophobicContact CG1-CB 4.39Å; V86-Q254 HydrophobicContact CG2-CB 4.3Å; I194-Q254 WeakPolarHBondContact O-CA 3.4Å; I194-Q254 PolarHBondContact O-N 2.85Å; L252-Q254 PolarHBondContact O-N 3.41Å; L252-Q254 VanDerWaalsContact O-N 3.08Å
255	Q	96.8	Very high	95.4	Very high	55 Å²	55	33.5 Å²	33.5	26%	0.257	16%	0.164	S	C	.	.			trans	-98.2	152.1	170.5	-60.2	-53.5	-55.4	0	0	111.4	I193 I194 R251 L252 L253	I193-Q255 WeakPolarHBondContact CA-O 3.16Å; I194-Q255 PolarHBondContact N-O 3.13Å; R251-Q255 VanDerWaalsContact O-CG 3.32Å; R251-Q255 WeakPolarHBondContact O-CG 3.47Å; L252-Q255 WeakPolarHBondContact O-CB 3.46Å; L252-Q255 PolarHBondContact O-N 2.97Å; L253-Q255 PolarHBondContact O-N 3.13Å
256	D	97.5	Very high	94.8	Very high	70 Å²	70	38.7 Å²	38.7	37%	0.374	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	128.9	169.3	-58.4	-74.5	0	0	0	109	R82	R82-D256 IonicContact CZ-OD1 3.37Å; R82-D256 IonicContact CZ-OD2 3.43Å; R82-D256 IonicContact NH1-OD1 3.11Å; R82-D256 IonicContact NH1-OD2 2.87Å; R82-D256 PolarHBondContact NH1-OD2 2.98Å; R82-D256 VanDerWaalsContact NH2-CG 3.31Å; R82-D256 IonicContact NH2-OD1 3.28Å; R82-D256 PolarHBondContact NH2-OD1 3.3Å; R82-D256 IonicContact NH2-OD2 2.72Å; R82-D256 PolarHBondContact NH2-OD2 3.38Å
257	V	98	Very high	94.4	Very high	7 Å²	7	42.8 Å²	42.8	4%	0.042	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	163.4	-178.5	-62.4	0	0	0	0	110.6	A192 I194 L252 I259 I273 I274 H275	A192-V257 HydrophobicContact CB-CG2 4.22Å; A192-V257 PolarHBondContact N-O 2.83Å; A192-V257 WeakPolarHBondContact O-CG2 3.32Å; A192-V257 PolarHBondContact O-N 3.08Å; A192-V257 VanDerWaalsContact O-O 3.12Å; I194-V257 HydrophobicContact CD1-CG2 3.68Å; I194-V257 HydrophobicContact CG1-CG1 4.12Å; I194-V257 HydrophobicContact CG1-CG2 3.8Å; L252-V257 HydrophobicContact CD2-CG1 4.01Å; V257-I259 HydrophobicContact CG2-CD1 4.24Å; V257-I259 HydrophobicContact CG2-CG1 3.99Å; V257-I273 HydrophobicContact CB-CG2 3.97Å; V257-I273 HydrophobicContact CG1-CG2 4.07Å; V257-I273 HydrophobicContact CG2-CG2 4.07Å; V257-I274 WeakPolarHBondContact CA-O 3.43Å; V257-H275 HydrophobicContact CG1-CB 4.44Å
258	E	98.1	Very high	94.3	Very high	79 Å²	79	43.8 Å²	43.8	37%	0.369	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.1	166	-71.7	-174.1	160.2	0	0	109.5	P189 I190 K191 I274	P189-E258 HydrophobicContact CB-CB 3.94Å; P189-E258 HydrophobicContact CB-CG 4.37Å; I190-E258 CarbonylContact O-C 3.46Å; I190-E258 WeakPolarHBondContact O-CA 3.33Å; K191-E258 HydrophobicContact CG-CG 4.49Å; E258-I274 PolarHBondContact N-O 3.32Å; E258-I274 PolarHBondContact O-N 3.46Å
259	I	97.5	Very high	94.2	Very high	2 Å²	2	44 Å²	44	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.6	-178.1	-51.9	-177.5	0	0	0	109.3	I190 A192 I194 A205 V216 V257 I261 T272 I273	I190-I259 PolarHBondContact N-O 2.83Å; I190-I259 PolarHBondContact O-N 2.91Å; A192-I259 HydrophobicContact CB-CD1 3.71Å; A192-I259 HydrophobicContact CB-CG1 4.11Å; I194-I259 HydrophobicContact CD1-CD1 4.21Å; A205-I259 HydrophobicContact CB-CD1 3.41Å; A205-I259 VanDerWaalsContact CB-CD1 3.41Å; V216-I259 HydrophobicContact CG1-CG2 4.21Å; V216-I259 HydrophobicContact CG2-CD1 4.16Å; V216-I259 HydrophobicContact CG2-CG2 4.44Å; V257-I259 HydrophobicContact CG2-CD1 4.24Å; V257-I259 HydrophobicContact CG2-CG1 3.99Å; I259-I261 HydrophobicContact CG2-CD1 3.55Å; I259-I261 HydrophobicContact CG2-CG1 4.27Å; I259-T272 WeakPolarHBondContact CA-O 3.28Å; I259-I273 HydrophobicContact CG1-CG1 4.31Å; I259-I273 HydrophobicContact CG1-CG2 4.5Å; I259-I273 HydrophobicContact CG2-CG1 4.39Å
260	W	96.1	Very high	94.3	Very high	66 Å²	66	43.1 Å²	43.1	25%	0.25	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	108	168.6	-68.2	79.8	0	0	0	108.3	G187 P189 G271 T272 T301	G187-W260 VanDerWaalsContact C-CZ3 3.42Å; G187-W260 VanDerWaalsContact O-CZ3 3.27Å; G187-W260 WeakPolarHBondContact O-CZ3 3.38Å; P189-W260 HydrophobicContact CB-CD2 4.4Å; P189-W260 HydrophobicContact CB-CZ2 4.11Å; P189-W260 HydrophobicContact CG-CH2 4.49Å; P189-W260 HydrophobicContact CG-CZ2 3.91Å; W260-G271 CarbonylContact O-C 3.54Å; W260-G271 WeakPolarHBondContact O-CA 3.44Å; W260-T272 PolarHBondContact N-O 3.05Å; W260-T272 PolarHBondContact O-N 3.21Å; W260-T301 HydrophobicContact CD2-CG2 3.76Å; W260-T301 HydrophobicContact CE3-CG2 3.6Å; W260-T301 HydrophobicContact CG-CG2 4.19Å; W260-T301 HydrophobicContact CH2-CG2 4.49Å; W260-T301 HydrophobicContact CZ3-CG2 3.97Å
261	I	95.3	Very high	94.5	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	119.5	178	-56.8	-66.1	0	0	0	108.5	V182 I190 I214 V216 I259 F269	V182-I261 HydrophobicContact CB-CG2 4.15Å; V182-I261 HydrophobicContact CG1-CG2 4.2Å; V182-I261 HydrophobicContact CG2-CG2 3.54Å; I190-I261 HydrophobicContact CD1-CG1 3.68Å; I214-I261 HydrophobicContact CD1-CD1 3.83Å; V216-I261 HydrophobicContact CG2-CD1 4.44Å; I259-I261 HydrophobicContact CG2-CD1 3.55Å; I259-I261 HydrophobicContact CG2-CG1 4.27Å; I261-F269 HydrophobicContact CD1-CB 4.11Å; I261-F269 HydrophobicContact CG2-CB 4.48Å; I261-F269 HydrophobicContact CG2-CD1 3.73Å
262	E	93.8	Very high	94.6	Very high	25 Å²	25	35.8 Å²	35.8	12%	0.117	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-36.9	-169.4	-67.9	161	-176	0	0	111.8	S219 L270 T272 L299 T301	S219-E262 WeakPolarHBondContact CB-OE2 3.46Å; S219-E262 PolarHBondContact OG-OE2 3.4Å; E262-L270 PolarHBondContact N-O 3.38Å; E262-T272 PolarHBondContact OE1-OG1 2.82Å; E262-L299 HydrophobicContact CB-CB 4.29Å; E262-L299 WeakPolarHBondContact CG-O 3.46Å; E262-L299 VanDerWaalsContact OE2-O 3.09Å; E262-T301 WeakPolarHBondContact OE1-CB 3.45Å; E262-T301 PolarHBondContact OE1-N 2.93Å; E262-T301 PolarHBondContact OE1-OG1 3.44Å
263	S	94	Very high	94.6	Very high	39 Å²	39	35.7 Å²	35.7	27%	0.273	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	-177.5	-179.4	-170.4	0	0	0	0	111.8	L270	S263-L270 PolarHBondContact N-O 3.48Å; S263-L270 PolarHBondContact O-N 2.88Å
264	V	93.4	Very high	94.5	Very high	30 Å²	30	37.9 Å²	37.9	18%	0.182	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	141.9	172.8	62.4	0	0	0	0	110.7	P178 R179 V182 N268	P178-V264 HydrophobicContact CB-CB 4.26Å; P178-V264 HydrophobicContact CB-CG1 4.44Å; P178-V264 HydrophobicContact CB-CG2 3.67Å; R179-V264 HydrophobicContact CB-CG1 4.47Å; R179-V264 HydrophobicContact CG-CG1 3.53Å; V182-V264 HydrophobicContact CG2-CB 4.26Å; V264-N268 CarbonylContact C-O 3.58Å; V264-N268 WeakPolarHBondContact CA-O 3.37Å; V264-N268 WeakPolarHBondContact CG2-O 3.46Å
265	S	88.6	Confident	94.4	Very high	29 Å²	29	39 Å²	39	20%	0.203	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	121.3	172.9	174.3	0	0	0	0	110.5	Q267 N268 W295	S265-Q267 VanDerWaalsContact C-N 3.32Å; S265-Q267 PolarHBondContact O-N 3.48Å; S265-N268 PolarHBondContact N-O 3.19Å; S265-N268 WeakPolarHBondContact O-CB 3.45Å; S265-N268 PolarHBondContact O-N 3.15Å; S265-W295 WeakPolarHBondContact OG-CH2 3.24Å
266	N	84.2	Confident	94.2	Very high	147 Å²	147	41.9 Å²	41.9	79%	0.786	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.8	51.4	-179.4	-61.6	-23.6	0	0	0	112.7	N268	N266-N268 PolarHBondContact O-N 2.86Å; N266-N268 PolarHBondContact O-ND2 3.47Å
267	Q	84.4	Confident	93.9	Very high	132 Å²	132	45.6 Å²	45.6	62%	0.617	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	66	-5.2	-176.9	-51.5	-69.6	-29.1	0	0	115.5	S265	S265-Q267 VanDerWaalsContact C-N 3.32Å; S265-Q267 PolarHBondContact O-N 3.48Å
268	N	91.6	Very high	93.7	Very high	41 Å²	41	46.9 Å²	46.9	22%	0.219	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	136.4	172.8	-58.2	-62.4	0	0	0	110.2	T215 M217 V264 S265 N266	T215-N268 WeakPolarHBondContact CB-OD1 3.47Å; T215-N268 VanDerWaalsContact CG2-OD1 3.27Å; T215-N268 WeakPolarHBondContact CG2-OD1 3.44Å; M217-N268 HydrophobicContact CG-CB 4.08Å; M217-N268 HydrophobicContact SD-CB 3.81Å; V264-N268 CarbonylContact C-O 3.58Å; V264-N268 WeakPolarHBondContact CA-O 3.37Å; V264-N268 WeakPolarHBondContact CG2-O 3.46Å; S265-N268 PolarHBondContact N-O 3.19Å; S265-N268 WeakPolarHBondContact O-CB 3.45Å; S265-N268 PolarHBondContact O-N 3.15Å; N266-N268 PolarHBondContact O-N 2.86Å; N266-N268 PolarHBondContact O-ND2 3.47Å
269	F	96.2	Very high	93.5	Very high	5 Å²	5	43.7 Å²	43.7	2%	0.022	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	136.5	176.4	-65.7	-88.6	0	0	0	109.8	V175 P178 F181 V182 I214 T215 V216 M217 I261	V175-F269 HydrophobicContact CB-CZ 4.31Å; V175-F269 HydrophobicContact CG1-CZ 4.1Å; V175-F269 HydrophobicContact CG2-CZ 4.4Å; P178-F269 HydrophobicContact CB-CE1 3.87Å; P178-F269 HydrophobicContact CB-CE2 4.4Å; P178-F269 HydrophobicContact CB-CZ 3.63Å; P178-F269 HydrophobicContact CG-CZ 4.31Å; P178-F269 WeakPolarHBondContact O-CE1 3.46Å; F181-F269 HydrophobicContact CB-CE1 4.18Å; F181-F269 HydrophobicContact CB-CZ 4.34Å; F181-F269 HydrophobicContact CD1-CD1 4.33Å; F181-F269 AromaticContact CD1-CE1 3.53Å; F181-F269 HydrophobicContact CD1-CE1 3.53Å; F181-F269 AromaticContact CD1-CZ 3.89Å; F181-F269 HydrophobicContact CD1-CZ 3.89Å; F181-F269 HydrophobicContact CE1-CE1 4.33Å; F181-F269 HydrophobicContact CG-CE1 4.16Å; F181-F269 HydrophobicContact CG-CZ 4.24Å; V182-F269 HydrophobicContact CG2-CD1 3.73Å; V182-F269 HydrophobicContact CG2-CE1 3.83Å; I214-F269 HydrophobicContact CB-CD2 3.77Å; I214-F269 HydrophobicContact CB-CE2 3.9Å; I214-F269 HydrophobicContact CD1-CD2 4.42Å; I214-F269 HydrophobicContact CG2-CD2 4.1Å; I214-F269 HydrophobicContact CG2-CE2 3.72Å; I214-F269 HydrophobicContact CG2-CZ 4.39Å; T215-F269 PolarHBondContact O-N 3.41Å; V216-F269 CarbonylContact C-O 2.93Å; V216-F269 WeakPolarHBondContact CA-O 2.94Å; V216-F269 HydrophobicContact CG2-CB 4.49Å; M217-F269 PolarHBondContact N-O 3.36Å; I261-F269 HydrophobicContact CD1-CB 4.11Å; I261-F269 HydrophobicContact CG2-CB 4.48Å; I261-F269 HydrophobicContact CG2-CD1 3.73Å
270	L	96.1	Very high	93.5	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.8	167.7	-62.5	178	0	0	0	107.3	M217 E262 S263 W295 T296 L299	M217-L270 HydrophobicContact CB-CD2 4.02Å; M217-L270 WeakPolarHBondContact O-CA 3.46Å; E262-L270 PolarHBondContact N-O 3.38Å; S263-L270 PolarHBondContact N-O 3.48Å; S263-L270 PolarHBondContact O-N 2.88Å; L270-W295 HydrophobicContact CD1-CH2 3.92Å; L270-W295 HydrophobicContact CD1-CZ2 4.15Å; L270-T296 HydrophobicContact CD1-CG2 3.65Å; L270-T296 HydrophobicContact CD2-CG2 4.11Å; L270-L299 HydrophobicContact CD1-CD1 3.94Å
271	G	95.9	Very high	93.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	165.1	178.6	0	0	0	0	0	115.5	M217 M218 S219 W260	M217-G271 PolarHBondContact O-N 3.18Å; M217-G271 VanDerWaalsContact O-N 3.11Å; M218-G271 VanDerWaalsContact CA-O 3.29Å; M218-G271 WeakPolarHBondContact CA-O 3.36Å; S219-G271 PolarHBondContact N-O 3.02Å; S219-G271 WeakPolarHBondContact OG-CA 3.32Å; S219-G271 PolarHBondContact OG-N 3.33Å; W260-G271 CarbonylContact O-C 3.54Å; W260-G271 WeakPolarHBondContact O-CA 3.44Å
272	T	96.8	Very high	93.6	Very high	6 Å²	6	42.3 Å²	42.3	4%	0.037	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.3	176.5	-61.4	0	0	0	0	110	I259 W260 E262 I274	I259-T272 WeakPolarHBondContact CA-O 3.28Å; W260-T272 PolarHBondContact N-O 3.05Å; W260-T272 PolarHBondContact O-N 3.21Å; E262-T272 PolarHBondContact OE1-OG1 2.82Å; T272-I274 HydrophobicContact CG2-CD1 3.7Å; T272-I274 HydrophobicContact CG2-CG1 4.27Å
273	I	97.3	Very high	93.8	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	114.3	-177.9	-55.1	-179.5	0	0	0	109.5	I194 V203 V216 M218 L252 V257 I259 I280	I194-I273 HydrophobicContact CD1-CD1 4.34Å; V203-I273 HydrophobicContact CG2-CD1 3.37Å; V216-I273 HydrophobicContact CB-CD1 4.45Å; V216-I273 HydrophobicContact CG1-CD1 4.12Å; V216-I273 HydrophobicContact CG1-CG1 4.26Å; M218-I273 HydrophobicContact CE-CD1 4.23Å; M218-I273 HydrophobicContact CG-CD1 4.22Å; L252-I273 HydrophobicContact CD1-CG2 3.97Å; V257-I273 HydrophobicContact CB-CG2 3.97Å; V257-I273 HydrophobicContact CG1-CG2 4.07Å; V257-I273 HydrophobicContact CG2-CG2 4.07Å; I259-I273 HydrophobicContact CG1-CG1 4.31Å; I259-I273 HydrophobicContact CG1-CG2 4.5Å; I259-I273 HydrophobicContact CG2-CG1 4.39Å; I273-I280 HydrophobicContact CB-CG2 4.15Å
274	I	95.4	Very high	94	Very high	50 Å²	50	40.8 Å²	40.8	26%	0.256	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.9	-179.3	-55.2	-59	0	0	0	109.4	V257 E258 T272 D279	V257-I274 WeakPolarHBondContact CA-O 3.43Å; E258-I274 PolarHBondContact N-O 3.32Å; E258-I274 PolarHBondContact O-N 3.46Å; T272-I274 HydrophobicContact CG2-CD1 3.7Å; T272-I274 HydrophobicContact CG2-CG1 4.27Å; I274-D279 HydrophobicContact CD1-CB 4.01Å
275	H	95.3	Very high	94.2	Very high	28 Å²	28	39.4 Å²	39.4	13%	0.13	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	157.7	167.2	-177.1	-93.9	0	0	0	108.5	L252 V257 N277 G278	L252-H275 HydrophobicContact CD2-CB 3.9Å; V257-H275 HydrophobicContact CG1-CB 4.44Å; H275-N277 PolarHBondContact CE1-ND2 3.49Å; H275-N277 WeakPolarHBondContact ND1-CB 3.43Å; H275-N277 PolarHBondContact ND1-N 3.37Å; H275-N277 VanDerWaalsContact ND1-N 3.15Å; H275-N277 PolarHBondContact O-N 3.07Å; H275-G278 PolarHBondContact N-O 2.88Å; H275-G278 VanDerWaalsContact N-O 3.13Å; H275-G278 PolarHBondContact O-N 3.35Å
276	P	92.8	Very high	94.7	Very high	115 Å²	115	41.1 Å²	41.1	75%	0.747	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-21.5	172.8	-32.4	36.9	0	0	0	115.6
277	N	91.9	Very high	95.3	Very high	147 Å²	147	37 Å²	37	79%	0.786	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	4	177.1	-62.2	-18.7	0	0	0	113.7	H275	H275-N277 PolarHBondContact CE1-ND2 3.49Å; H275-N277 WeakPolarHBondContact ND1-CB 3.43Å; H275-N277 PolarHBondContact ND1-N 3.37Å; H275-N277 VanDerWaalsContact ND1-N 3.15Å; H275-N277 PolarHBondContact O-N 3.07Å
278	G	92.9	Very high	95.9	Very high	35 Å²	35	30.7 Å²	30.7	36%	0.361	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	114	-171	178.7	0	0	0	0	0	114.5	H275	H275-G278 PolarHBondContact N-O 2.88Å; H275-G278 VanDerWaalsContact N-O 3.13Å; H275-G278 PolarHBondContact O-N 3.35Å
279	D	95	Very high	96.2	Very high	11 Å²	11	29 Å²	29	6%	0.059	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	121.7	178.7	-177.1	-3.9	0	0	0	110.7	I274 A281 E282 S283	I274-D279 HydrophobicContact CD1-CB 4.01Å; D279-A281 VanDerWaalsContact C-N 3.29Å; D279-A281 PolarHBondContact O-N 2.96Å; D279-A281 VanDerWaalsContact OD1-CB 3.31Å; D279-A281 WeakPolarHBondContact OD1-CB 3.16Å; D279-A281 PolarHBondContact OD1-N 2.63Å; D279-E282 HydrophobicContact CB-CB 4.09Å; D279-S283 PolarHBondContact O-N 3.47Å; D279-S283 PolarHBondContact O-OG 2.94Å
280	I	96	Very high	96.3	Very high	6 Å²	6	28.8 Å²	28.8	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-66	-32.9	178.4	-171.4	60.8	0	0	0	111.8	M218 F247 T248 R251 L252 I273 S283 L284	M218-I280 HydrophobicContact CE-CG1 4.22Å; M218-I280 HydrophobicContact CE-CG2 3.49Å; M218-I280 VanDerWaalsContact CE-CG2 3.49Å; M218-I280 HydrophobicContact SD-CG2 3.57Å; M218-I280 VanDerWaalsContact SD-CG2 3.57Å; F247-I280 HydrophobicContact CD1-CD1 4.28Å; F247-I280 HydrophobicContact CE1-CD1 4.09Å; T248-I280 HydrophobicContact CG2-CG1 4.46Å; R251-I280 HydrophobicContact CB-CD1 4.15Å; L252-I280 HydrophobicContact CD1-CB 3.87Å; L252-I280 HydrophobicContact CD1-CG1 3.85Å; L252-I280 HydrophobicContact CD1-CG2 3.7Å; L252-I280 HydrophobicContact CG-CB 4.42Å; L252-I280 HydrophobicContact CG-CG1 4.22Å; I273-I280 HydrophobicContact CB-CG2 4.15Å; I280-S283 WeakPolarHBondContact O-CB 3.35Å; I280-S283 PolarHBondContact O-N 2.9Å; I280-L284 HydrophobicContact CG1-CD1 4.06Å; I280-L284 HydrophobicContact CG1-CG 4.38Å; I280-L284 WeakPolarHBondContact O-CG 3.36Å; I280-L284 PolarHBondContact O-N 3.09Å
281	A	97.6	Very high	96.3	Very high	3 Å²	3	32.8 Å²	32.8	3%	0.025	18%	0.177	C	C	.	.	H	α-helix	trans	-67.1	-44	-177.1	0	0	0	0	0	110.4	M218 I221 D279 S283 L284 L285 L307	M218-A281 HydrophobicContact CB-CB 4.47Å; M218-A281 HydrophobicContact SD-CB 4.38Å; I221-A281 HydrophobicContact CD1-CB 3.57Å; I221-A281 HydrophobicContact CG1-CB 4.01Å; I221-A281 HydrophobicContact CG2-CB 4.23Å; D279-A281 VanDerWaalsContact C-N 3.29Å; D279-A281 PolarHBondContact O-N 2.96Å; D279-A281 VanDerWaalsContact OD1-CB 3.31Å; D279-A281 WeakPolarHBondContact OD1-CB 3.16Å; D279-A281 PolarHBondContact OD1-N 2.63Å; A281-S283 VanDerWaalsContact C-N 3.27Å; A281-S283 PolarHBondContact O-N 3.29Å; A281-L284 PolarHBondContact O-N 3.26Å; A281-L285 WeakPolarHBondContact O-CG 3.44Å; A281-L285 PolarHBondContact O-N 2.84Å; A281-L307 HydrophobicContact CB-CD2 4.09Å
282	E	97.1	Very high	96.2	Very high	35 Å²	35	33 Å²	33	16%	0.164	18%	0.178	C	C	.	.	H	α-helix	trans	-57.7	-40.8	172.9	-163.3	-170.7	120.1	0	0	111.6	D279 R286 R306 L307 A310	D279-E282 HydrophobicContact CB-CB 4.09Å; E282-R286 VanDerWaalsContact O-CB 3.28Å; E282-R286 WeakPolarHBondContact O-CB 3.47Å; E282-R286 PolarHBondContact O-N 3.26Å; E282-R286 IonicContact OE1-CZ 2.79Å; E282-R286 VanDerWaalsContact OE1-CZ 3.31Å; E282-R286 IonicContact OE1-NH1 3.61Å; E282-R286 PolarHBondContact OE1-NH1 2.77Å; E282-R286 VanDerWaalsContact OE1-NH1 3.09Å; E282-R286 IonicContact OE1-NH2 3.2Å; E282-R286 PolarHBondContact OE1-NH2 2.89Å; E282-R306 IonicContact OE2-NH1 3.87Å; E282-R306 PolarHBondContact OE2-NH1 3.41Å; E282-R306 VanDerWaalsContact OE2-NH1 3.15Å; E282-L307 HydrophobicContact CB-CD2 4Å; E282-A310 HydrophobicContact CG-CB 4.06Å; E282-A310 WeakPolarHBondContact O-CB 3.38Å
283	S	96.8	Very high	96	Very high	32 Å²	32	33.9 Å²	33.9	22%	0.224	18%	0.183	C	C	.	.	H	α-helix	trans	-70.4	-41.9	179	-59.5	0	0	0	0	112.9	D279 I280 A281 L285 R286 E287	D279-S283 PolarHBondContact O-N 3.47Å; D279-S283 PolarHBondContact O-OG 2.94Å; I280-S283 WeakPolarHBondContact O-CB 3.35Å; I280-S283 PolarHBondContact O-N 2.9Å; A281-S283 VanDerWaalsContact C-N 3.27Å; A281-S283 PolarHBondContact O-N 3.29Å; S283-L285 VanDerWaalsContact C-N 3.35Å; S283-L285 PolarHBondContact O-N 3.04Å; S283-R286 PolarHBondContact O-N 3.32Å; S283-E287 WeakPolarHBondContact O-CB 3.29Å; S283-E287 WeakPolarHBondContact O-CG 3.29Å; S283-E287 PolarHBondContact O-N 3.33Å
284	L	98.5	Very high	95.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.4	-44.3	175.9	-77.1	161.2	0	0	0	111.5	G200 M218 I221 F247 I280 A281 G288 F289 A290	G200-L284 WeakPolarHBondContact O-CD1 3.06Å; M218-L284 HydrophobicContact CE-CD1 4.27Å; M218-L284 HydrophobicContact SD-CD1 3.77Å; I221-L284 HydrophobicContact CD1-CB 4.25Å; I221-L284 HydrophobicContact CD1-CD1 3.86Å; F247-L284 HydrophobicContact CD1-CD2 3.63Å; F247-L284 HydrophobicContact CD1-CG 4.15Å; F247-L284 HydrophobicContact CE1-CD2 4.24Å; F247-L284 HydrophobicContact CE1-CG 4.34Å; F247-L284 HydrophobicContact CG-CD2 4.41Å; I280-L284 HydrophobicContact CG1-CD1 4.06Å; I280-L284 HydrophobicContact CG1-CG 4.38Å; I280-L284 WeakPolarHBondContact O-CG 3.36Å; I280-L284 PolarHBondContact O-N 3.09Å; A281-L284 PolarHBondContact O-N 3.26Å; L284-G288 PolarHBondContact O-N 2.88Å; L284-F289 HydrophobicContact CB-CB 4.42Å; L284-F289 HydrophobicContact CD2-CB 3.7Å; L284-F289 HydrophobicContact CD2-CD2 4.47Å; L284-F289 HydrophobicContact CD2-CG 4.41Å; L284-F289 WeakPolarHBondContact O-CB 3.28Å; L284-F289 PolarHBondContact O-N 2.99Å; L284-A290 HydrophobicContact CB-CB 4Å; L284-A290 PolarHBondContact O-N 2.86Å
285	L	98.4	Very high	94.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-47.4	175.9	-71.4	174.8	0	0	0	111.7	I221 A281 S283 E287 G288 A290 L307 A310 E311 A314	I221-L285 HydrophobicContact CB-CD2 4.37Å; I221-L285 HydrophobicContact CG2-CD1 3.49Å; I221-L285 VanDerWaalsContact CG2-CD1 3.49Å; I221-L285 HydrophobicContact CG2-CD2 3.87Å; I221-L285 HydrophobicContact CG2-CG 3.68Å; A281-L285 WeakPolarHBondContact O-CG 3.44Å; A281-L285 PolarHBondContact O-N 2.84Å; S283-L285 VanDerWaalsContact C-N 3.35Å; S283-L285 PolarHBondContact O-N 3.04Å; L285-E287 PolarHBondContact O-N 3.18Å; L285-G288 PolarHBondContact O-N 2.71Å; L285-A290 HydrophobicContact CD2-CB 3.78Å; L285-A290 HydrophobicContact CG-CB 4.3Å; L285-L307 HydrophobicContact CD1-CB 3.5Å; L285-L307 HydrophobicContact CD1-CD2 3.84Å; L285-L307 HydrophobicContact CD1-CG 4.15Å; L285-L307 VanDerWaalsContact CD1-O 3.24Å; L285-L307 WeakPolarHBondContact CD1-O 3.34Å; L285-A310 HydrophobicContact CB-CB 3.76Å; L285-A310 HydrophobicContact CD1-CB 4.5Å; L285-E311 HydrophobicContact CB-CB 4.49Å; L285-E311 HydrophobicContact CD2-CB 4.26Å; L285-A314 WeakPolarHBondContact O-CB 3.22Å
286	R	98	Very high	94.5	Very high	65 Å²	65	39.3 Å²	39.3	25%	0.245	20%	0.202	C	C	.	.	H	α-helix	trans	-58.6	-34.3	-179	-178.9	173.3	-65.9	120.7	3.4	113.1	E282 S283 G288 A310 A314	E282-R286 VanDerWaalsContact O-CB 3.28Å; E282-R286 WeakPolarHBondContact O-CB 3.47Å; E282-R286 PolarHBondContact O-N 3.26Å; E282-R286 IonicContact OE1-CZ 2.79Å; E282-R286 VanDerWaalsContact OE1-CZ 3.31Å; E282-R286 IonicContact OE1-NH1 3.61Å; E282-R286 PolarHBondContact OE1-NH1 2.77Å; E282-R286 VanDerWaalsContact OE1-NH1 3.09Å; E282-R286 IonicContact OE1-NH2 3.2Å; E282-R286 PolarHBondContact OE1-NH2 2.89Å; S283-R286 PolarHBondContact O-N 3.32Å; R286-G288 VanDerWaalsContact C-N 3.33Å; R286-A310 WeakPolarHBondContact CA-O 3.29Å; R286-A310 HydrophobicContact CB-CB 4.05Å; R286-A314 WeakPolarHBondContact O-CB 3.23Å
287	E	97.6	Very high	94.4	Very high	61 Å²	61	34 Å²	34	29%	0.285	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-0.2	177.1	-69.9	-60.5	138.5	0	0	112.7	F247 S283 L285 F289 R320	F247-E287 HydrophobicContact CE2-CB 4.4Å; F247-E287 HydrophobicContact CE2-CG 3.87Å; F247-E287 HydrophobicContact CZ-CB 4.42Å; F247-E287 HydrophobicContact CZ-CG 3.85Å; S283-E287 WeakPolarHBondContact O-CB 3.29Å; S283-E287 WeakPolarHBondContact O-CG 3.29Å; S283-E287 PolarHBondContact O-N 3.33Å; L285-E287 PolarHBondContact O-N 3.18Å; E287-F289 VanDerWaalsContact C-N 3.3Å; E287-F289 HydrophobicContact CB-CD2 3.6Å; E287-F289 HydrophobicContact CB-CE2 3.94Å; E287-F289 PolarHBondContact O-N 2.8Å; E287-R320 WeakPolarHBondContact O-CD 3.13Å; E287-R320 PolarHBondContact O-NH1 3.47Å; E287-R320 IonicContact OE2-CZ 3.39Å; E287-R320 IonicContact OE2-NH1 2.87Å; E287-R320 PolarHBondContact OE2-NH1 3.33Å; E287-R320 IonicContact OE2-NH2 3.05Å
288	G	97.5	Very high	94.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	23.9	179.9	0	0	0	0	0	114	L284 L285 R286 R320 L321	L284-G288 PolarHBondContact O-N 2.88Å; L285-G288 PolarHBondContact O-N 2.71Å; R286-G288 VanDerWaalsContact C-N 3.33Å; G288-R320 WeakPolarHBondContact O-CB 3.19Å; G288-L321 WeakPolarHBondContact O-CB 3.41Å; G288-L321 WeakPolarHBondContact O-CD1 3.33Å; G288-L321 WeakPolarHBondContact O-CG 3.43Å; G288-L321 PolarHBondContact O-N 3.12Å
289	F	97.6	Very high	94	Very high	6 Å²	6	30 Å²	30	3%	0.026	15%	0.147	C	C	.	.	S	Bend	trans	-90.5	-5	173.1	-73.7	-59.3	0	0	0	113.8	S223 P224 E243 A244 F247 L284 E287 R320	S223-F289 WeakPolarHBondContact CA-O 3.37Å; S223-F289 WeakPolarHBondContact CB-O 3.29Å; S223-F289 PolarHBondContact OG-O 3.41Å; P224-F289 WeakPolarHBondContact CD-O 3.41Å; E243-F289 HydrophobicContact CB-CE1 3.51Å; E243-F289 HydrophobicContact CB-CZ 3.99Å; A244-F289 HydrophobicContact CB-CB 3.91Å; A244-F289 HydrophobicContact CB-CD1 3.69Å; A244-F289 HydrophobicContact CB-CE1 4.45Å; A244-F289 HydrophobicContact CB-CG 4.05Å; F247-F289 HydrophobicContact CB-CD2 4.12Å; F247-F289 HydrophobicContact CB-CE2 3.89Å; F247-F289 HydrophobicContact CB-CZ 4.34Å; F247-F289 HydrophobicContact CD1-CD2 4.29Å; F247-F289 AromaticContact CD2-CD2 3.89Å; F247-F289 HydrophobicContact CD2-CD2 3.89Å; F247-F289 AromaticContact CD2-CE2 3.38Å; F247-F289 HydrophobicContact CD2-CE2 3.38Å; F247-F289 HydrophobicContact CD2-CZ 4.31Å; F247-F289 HydrophobicContact CE2-CD2 4.34Å; F247-F289 AromaticContact CE2-CE2 3.99Å; F247-F289 HydrophobicContact CE2-CE2 3.99Å; F247-F289 AromaticContact CG-CD2 3.85Å; F247-F289 HydrophobicContact CG-CD2 3.85Å; F247-F289 AromaticContact CG-CE2 3.71Å; F247-F289 HydrophobicContact CG-CE2 3.71Å; L284-F289 HydrophobicContact CB-CB 4.42Å; L284-F289 HydrophobicContact CD2-CB 3.7Å; L284-F289 HydrophobicContact CD2-CD2 4.47Å; L284-F289 HydrophobicContact CD2-CG 4.41Å; L284-F289 WeakPolarHBondContact O-CB 3.28Å; L284-F289 PolarHBondContact O-N 2.99Å; E287-F289 VanDerWaalsContact C-N 3.3Å; E287-F289 HydrophobicContact CB-CD2 3.6Å; E287-F289 HydrophobicContact CB-CE2 3.94Å; E287-F289 PolarHBondContact O-N 2.8Å; F289-R320 VanDerWaalsContact CD1-CD 3.47Å; F289-R320 VanDerWaalsContact CE2-CZ 3.46Å; F289-R320 VanDerWaalsContact CZ-CD 3.44Å
290	A	97.9	Very high	93.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.			trans	-142.3	164.5	177.3	0	0	0	0	0	110.5	I221 R222 L284 L285	I221-A290 HydrophobicContact CB-CB 4.24Å; I221-A290 HydrophobicContact CD1-CB 4.02Å; R222-A290 CarbonylContact O-C 3.56Å; R222-A290 VanDerWaalsContact O-CA 3.28Å; R222-A290 WeakPolarHBondContact O-CA 3.42Å; L284-A290 HydrophobicContact CB-CB 4Å; L284-A290 PolarHBondContact O-N 2.86Å; L285-A290 HydrophobicContact CD2-CB 3.78Å; L285-A290 HydrophobicContact CG-CB 4.3Å
291	R	95.4	Very high	93.4	Very high	87 Å²	87	31.9 Å²	31.9	33%	0.328	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	150.7	166.7	-54.5	-174.5	-178.1	113.2	-0.9	109.2	I221 R222 E311 L321 W322	I221-R291 CarbonylContact C-O 3.55Å; I221-R291 VanDerWaalsContact CA-O 3.29Å; I221-R291 WeakPolarHBondContact CA-O 3.34Å; R222-R291 PolarHBondContact N-O 2.93Å; R222-R291 PolarHBondContact O-N 3.39Å; R291-E311 VanDerWaalsContact CA-OE1 3.29Å; R291-E311 WeakPolarHBondContact CA-OE1 3.24Å; R291-L321 HydrophobicContact CG-CD1 4.13Å; R291-W322 HydrophobicContact CB-CZ2 4.31Å; R291-W322 HydrophobicContact CG-CH2 4.08Å; R291-W322 HydrophobicContact CG-CZ2 3.8Å
292	C	94.6	Very high	92.8	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.034	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	148.1	168.9	-67.7	0	0	0	0	110.4	G220 I297 E311 Q462	G220-C292 CarbonylContact O-C 3.54Å; G220-C292 VanDerWaalsContact O-CA 3.29Å; G220-C292 WeakPolarHBondContact O-CA 3.15Å; C292-I297 HydrophobicContact CB-CD1 3.97Å; C292-E311 WeakPolarHBondContact CB-OE2 3.36Å; C292-E311 PolarHBondContact N-OE1 2.97Å; C292-E311 VanDerWaalsContact SG-CD 3.56Å; C292-E311 PolarHBondContact SG-OE2 3.32Å; C292-Q462 PolarHBondContact O-NE2 2.91Å; C292-Q462 VanDerWaalsContact O-NE2 3.12Å
293	V	92	Very high	92.3	Very high	24 Å²	24	34.9 Å²	34.9	15%	0.145	20%	0.2	C	C	.	.			trans	-121.5	105.3	177.8	177.7	0	0	0	0	108.5	G220 R222 W295 T296 I297	G220-V293 PolarHBondContact O-N 2.88Å; R222-V293 HydrophobicContact CB-CG2 3.52Å; V293-W295 HydrophobicContact CG1-CB 4.41Å; V293-W295 PolarHBondContact O-N 2.87Å; V293-W295 VanDerWaalsContact O-N 3.14Å; V293-T296 PolarHBondContact O-N 3.43Å; V293-T296 VanDerWaalsContact O-N 3.14Å; V293-I297 WeakPolarHBondContact O-CB 3.11Å; V293-I297 PolarHBondContact O-N 3.35Å
294	D	85.8	Confident	91.8	Very high	28 Å²	28	34.6 Å²	34.6	15%	0.15	20%	0.198	C	C	.	.	H	α-helix	trans	-58.5	-32.4	-172.3	-62.8	-18.3	0	0	0	113.4	R308 R467 Y471 L475	D294-R308 IonicContact OD1-CZ 2.95Å; D294-R308 VanDerWaalsContact OD1-CZ 3.24Å; D294-R308 IonicContact OD1-NH1 2.67Å; D294-R308 PolarHBondContact OD1-NH1 3.49Å; D294-R308 IonicContact OD1-NH2 3.4Å; D294-R308 PolarHBondContact OD1-NH2 2.65Å; D294-R467 IonicContact OD1-NH1 3.41Å; D294-R467 PolarHBondContact OD1-NH1 3.07Å; D294-R467 VanDerWaalsContact OD1-NH1 3.14Å; D294-R467 IonicContact OD2-NH1 3.09Å; D294-R467 PolarHBondContact OD2-NH1 3.37Å; D294-Y471 HydrophobicContact CB-CE1 4.11Å; D294-Y471 VanDerWaalsContact OD2-CE1 3.29Å; D294-Y471 WeakPolarHBondContact OD2-CE1 3.5Å; D294-L475 HydrophobicContact CB-CD1 4.3Å
295	W	83	Confident	91.4	Very high	161 Å²	161	42.2 Å²	42.2	61%	0.61	23%	0.234	S	C	*	.	H	α-helix	trans	-66.2	-39.2	178.9	164	55.8	0	0	0	113.4	S265 L270 V293	S265-W295 WeakPolarHBondContact OG-CH2 3.24Å; L270-W295 HydrophobicContact CD1-CH2 3.92Å; L270-W295 HydrophobicContact CD1-CZ2 4.15Å; V293-W295 HydrophobicContact CG1-CB 4.41Å; V293-W295 PolarHBondContact O-N 2.87Å; V293-W295 VanDerWaalsContact O-N 3.14Å
296	T	89.3	Confident	91.2	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-103	-13.5	-176	57.3	0	0	0	0	113.6	G220 L270 V293 G298 L299	G220-T296 WeakPolarHBondContact CA-OG1 3.36Å; G220-T296 PolarHBondContact N-OG1 3.15Å; L270-T296 HydrophobicContact CD1-CG2 3.65Å; L270-T296 HydrophobicContact CD2-CG2 4.11Å; V293-T296 PolarHBondContact O-N 3.43Å; V293-T296 VanDerWaalsContact O-N 3.14Å; T296-G298 VanDerWaalsContact C-N 3.29Å; T296-G298 PolarHBondContact O-N 2.95Å; T296-L299 WeakPolarHBondContact O-CB 3.5Å; T296-L299 PolarHBondContact O-N 3.12Å
297	I	90.5	Very high	91.1	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-68.7	-28.1	-173.4	-157.3	173.5	0	0	0	113.2	C292 V293 L299 V300 L307 R308	C292-I297 HydrophobicContact CB-CD1 3.97Å; V293-I297 WeakPolarHBondContact O-CB 3.11Å; V293-I297 PolarHBondContact O-N 3.35Å; I297-L299 PolarHBondContact O-N 2.96Å; I297-V300 HydrophobicContact CG1-CG2 4.32Å; I297-V300 WeakPolarHBondContact O-CB 3.36Å; I297-V300 WeakPolarHBondContact O-CG2 3.41Å; I297-V300 PolarHBondContact O-N 2.84Å; I297-L307 HydrophobicContact CD1-CB 4.14Å; I297-L307 HydrophobicContact CD1-CD1 4.49Å; I297-L307 HydrophobicContact CG1-CD1 4.19Å; I297-R308 HydrophobicContact CD1-CG 4.06Å
298	G	86.3	Confident	90.9	Very high	40 Å²	40	42.8 Å²	42.8	41%	0.412	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.4	173.4	0	0	0	0	0	113.9	T296	T296-G298 VanDerWaalsContact C-N 3.29Å; T296-G298 PolarHBondContact O-N 2.95Å
299	L	89	Confident	90.7	Very high	60 Å²	60	44.4 Å²	44.4	31%	0.314	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-16.3	176.6	-54.3	175.9	0	0	0	112.4	E262 L270 T296 I297 T301	E262-L299 HydrophobicContact CB-CB 4.29Å; E262-L299 WeakPolarHBondContact CG-O 3.46Å; E262-L299 VanDerWaalsContact OE2-O 3.09Å; L270-L299 HydrophobicContact CD1-CD1 3.94Å; T296-L299 WeakPolarHBondContact O-CB 3.5Å; T296-L299 PolarHBondContact O-N 3.12Å; I297-L299 PolarHBondContact O-N 2.96Å; L299-T301 PolarHBondContact O-N 2.97Å
300	V	92.1	Very high	90.7	Very high	9 Å²	9	44.1 Å²	44.1	6%	0.055	25%	0.245	C	C	.	.			trans	-61.6	121.7	-171.6	175	0	0	0	0	110.8	I297 G302 G303 L307	I297-V300 HydrophobicContact CG1-CG2 4.32Å; I297-V300 WeakPolarHBondContact O-CB 3.36Å; I297-V300 WeakPolarHBondContact O-CG2 3.41Å; I297-V300 PolarHBondContact O-N 2.84Å; V300-G302 PolarHBondContact O-N 2.89Å; V300-G303 PolarHBondContact O-N 3.23Å; V300-L307 HydrophobicContact CB-CD1 4.4Å; V300-L307 HydrophobicContact CG1-CD1 3.95Å; V300-L307 HydrophobicContact CG2-CD1 3.8Å
301	T	87.7	Confident	90.6	Very high	47 Å²	47	44.6 Å²	44.6	29%	0.288	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	123.8	174.5	-56.5	0	0	0	0	109.8	W260 E262 L299	W260-T301 HydrophobicContact CD2-CG2 3.76Å; W260-T301 HydrophobicContact CE3-CG2 3.6Å; W260-T301 HydrophobicContact CG-CG2 4.19Å; W260-T301 HydrophobicContact CH2-CG2 4.49Å; W260-T301 HydrophobicContact CZ3-CG2 3.97Å; E262-T301 WeakPolarHBondContact OE1-CB 3.45Å; E262-T301 PolarHBondContact OE1-N 2.93Å; E262-T301 PolarHBondContact OE1-OG1 3.44Å; L299-T301 PolarHBondContact O-N 2.97Å
302	G	84.9	Confident	90.5	Very high	65 Å²	65	47.5 Å²	47.5	67%	0.67	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	6.7	-174.8	0	0	0	0	0	114.6	V300	V300-G302 PolarHBondContact O-N 2.89Å
303	G	85.5	Confident	90.6	Very high	36 Å²	36	51.7 Å²	51.7	37%	0.371	28%	0.276	S	S	.	.			trans	88.6	165.1	168.7	0	0	0	0	0	115.4	V300	V300-G303 PolarHBondContact O-N 3.23Å
304	S	87.1	Confident	90.8	Very high	26 Å²	26	50.6 Å²	50.6	18%	0.182	27%	0.269	C	S	.	.	S	Bend	trans	-79.1	-19.5	-176.1	62.1	0	0	0	0	114.4	R306 L307 R308 D472	S304-R306 PolarHBondContact O-N 2.66Å; S304-L307 PolarHBondContact O-N 3.25Å; S304-L307 VanDerWaalsContact O-N 3.15Å; S304-R308 WeakPolarHBondContact O-CG 3.39Å; S304-R308 PolarHBondContact O-N 3.19Å; S304-D472 PolarHBondContact OG-OD2 2.81Å
305	E	90	Very high	91.1	Very high	160 Å²	160	49.9 Å²	49.9	75%	0.748	27%	0.265	S	S	*	.	H	α-helix	trans	-59.5	-44.6	-165.9	-173.6	174.4	-173.2	0	0	113.2	L307 R308 A309	E305-L307 VanDerWaalsContact C-N 3.33Å; E305-L307 PolarHBondContact O-N 3.3Å; E305-R308 PolarHBondContact O-N 3.43Å; E305-A309 VanDerWaalsContact O-CB 3.29Å; E305-A309 WeakPolarHBondContact O-CB 3.37Å; E305-A309 PolarHBondContact O-N 2.88Å
306	R	94.1	Very high	91.6	Very high	113 Å²	113	48.5 Å²	48.5	43%	0.426	27%	0.265	S	S	.	.	H	α-helix	trans	-63	-40.4	179.4	-71.2	-172.2	-73.9	134.5	-5.5	112.2	E282 S304 A310	E282-R306 IonicContact OE2-NH1 3.87Å; E282-R306 PolarHBondContact OE2-NH1 3.41Å; E282-R306 VanDerWaalsContact OE2-NH1 3.15Å; S304-R306 PolarHBondContact O-N 2.66Å; R306-A310 WeakPolarHBondContact O-CB 3.41Å; R306-A310 PolarHBondContact O-N 3.11Å
307	L	95.9	Very high	91.9	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-67.4	-48.4	177.3	-62.8	-172.2	0	0	0	110.9	I221 A281 E282 L285 I297 V300 S304 E305 A309 A310 E311	I221-L307 HydrophobicContact CG2-CD1 4.1Å; A281-L307 HydrophobicContact CB-CD2 4.09Å; E282-L307 HydrophobicContact CB-CD2 4Å; L285-L307 HydrophobicContact CD1-CB 3.5Å; L285-L307 HydrophobicContact CD1-CD2 3.84Å; L285-L307 HydrophobicContact CD1-CG 4.15Å; L285-L307 VanDerWaalsContact CD1-O 3.24Å; L285-L307 WeakPolarHBondContact CD1-O 3.34Å; I297-L307 HydrophobicContact CD1-CB 4.14Å; I297-L307 HydrophobicContact CD1-CD1 4.49Å; I297-L307 HydrophobicContact CG1-CD1 4.19Å; V300-L307 HydrophobicContact CB-CD1 4.4Å; V300-L307 HydrophobicContact CG1-CD1 3.95Å; V300-L307 HydrophobicContact CG2-CD1 3.8Å; S304-L307 PolarHBondContact O-N 3.25Å; S304-L307 VanDerWaalsContact O-N 3.15Å; E305-L307 VanDerWaalsContact C-N 3.33Å; E305-L307 PolarHBondContact O-N 3.3Å; L307-A309 VanDerWaalsContact C-N 3.31Å; L307-A309 PolarHBondContact O-N 3.24Å; L307-A310 WeakPolarHBondContact O-CB 3.33Å; L307-A310 PolarHBondContact O-N 2.95Å; L307-A310 VanDerWaalsContact O-N 3.12Å; L307-E311 PolarHBondContact O-N 3.03Å
308	R	92.8	Very high	92.1	Very high	23 Å²	23	63.2 Å²	63.2	9%	0.087	32%	0.32	C	S	.	.	H	α-helix	trans	-58.4	-42.9	175.9	-66.2	-63.6	-163.7	-165.9	-1.2	112.1	D294 I297 S304 E305 A310 E311 R312 D472	D294-R308 IonicContact OD1-CZ 2.95Å; D294-R308 VanDerWaalsContact OD1-CZ 3.24Å; D294-R308 IonicContact OD1-NH1 2.67Å; D294-R308 PolarHBondContact OD1-NH1 3.49Å; D294-R308 IonicContact OD1-NH2 3.4Å; D294-R308 PolarHBondContact OD1-NH2 2.65Å; I297-R308 HydrophobicContact CD1-CG 4.06Å; S304-R308 WeakPolarHBondContact O-CG 3.39Å; S304-R308 PolarHBondContact O-N 3.19Å; E305-R308 PolarHBondContact O-N 3.43Å; R308-A310 VanDerWaalsContact C-N 3.34Å; R308-E311 PolarHBondContact O-N 3.31Å; R308-R312 WeakPolarHBondContact O-CB 3.37Å; R308-R312 PolarHBondContact O-N 3.36Å; R308-D472 IonicContact CZ-OD1 3.85Å; R308-D472 IonicContact CZ-OD2 3.67Å; R308-D472 IonicContact NE-OD1 2.89Å; R308-D472 PolarHBondContact NE-OD1 3.03Å; R308-D472 IonicContact NE-OD2 3.88Å; R308-D472 PolarHBondContact NE-OD2 3.3Å; R308-D472 VanDerWaalsContact NE-OD2 3.1Å; R308-D472 IonicContact NH2-OD1 3.2Å; R308-D472 PolarHBondContact NH2-OD1 3.46Å; R308-D472 IonicContact NH2-OD2 2.88Å
309	A	94.4	Very high	92.5	Very high	33 Å²	33	63.4 Å²	63.4	27%	0.273	31%	0.311	S	S	.	.	H	α-helix	trans	-65.3	-37.5	177	0	0	0	0	0	112.1	E305 L307 R312 K313	E305-A309 VanDerWaalsContact O-CB 3.29Å; E305-A309 WeakPolarHBondContact O-CB 3.37Å; E305-A309 PolarHBondContact O-N 2.88Å; L307-A309 VanDerWaalsContact C-N 3.31Å; L307-A309 PolarHBondContact O-N 3.24Å; A309-R312 PolarHBondContact O-N 3.39Å; A309-K313 WeakPolarHBondContact O-CG 3.47Å; A309-K313 PolarHBondContact O-N 2.95Å; A309-K313 VanDerWaalsContact O-N 3.11Å
310	A	97.2	Very high	92.8	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.2	-46.8	174.9	0	0	0	0	0	112	E282 L285 R286 R306 L307 R308 R312 K313 A314	E282-A310 HydrophobicContact CG-CB 4.06Å; E282-A310 WeakPolarHBondContact O-CB 3.38Å; L285-A310 HydrophobicContact CB-CB 3.76Å; L285-A310 HydrophobicContact CD1-CB 4.5Å; R286-A310 WeakPolarHBondContact CA-O 3.29Å; R286-A310 HydrophobicContact CB-CB 4.05Å; R306-A310 WeakPolarHBondContact O-CB 3.41Å; R306-A310 PolarHBondContact O-N 3.11Å; L307-A310 WeakPolarHBondContact O-CB 3.33Å; L307-A310 PolarHBondContact O-N 2.95Å; L307-A310 VanDerWaalsContact O-N 3.12Å; R308-A310 VanDerWaalsContact C-N 3.34Å; A310-R312 VanDerWaalsContact C-N 3.32Å; A310-R312 PolarHBondContact O-N 3.14Å; A310-K313 PolarHBondContact O-N 3.14Å; A310-A314 PolarHBondContact O-N 3.12Å
311	E	95.7	Very high	92.9	Very high	11 Å²	11	64.8 Å²	64.8	5%	0.051	31%	0.313	C	S	.	.	H	α-helix	trans	-60.5	-41.6	175.7	-174.8	178.5	-123.6	0	0	111.8	L285 R291 C292 L307 R308 K313 A314 K315 W322	L285-E311 HydrophobicContact CB-CB 4.49Å; L285-E311 HydrophobicContact CD2-CB 4.26Å; R291-E311 VanDerWaalsContact CA-OE1 3.29Å; R291-E311 WeakPolarHBondContact CA-OE1 3.24Å; C292-E311 WeakPolarHBondContact CB-OE2 3.36Å; C292-E311 PolarHBondContact N-OE1 2.97Å; C292-E311 VanDerWaalsContact SG-CD 3.56Å; C292-E311 PolarHBondContact SG-OE2 3.32Å; L307-E311 PolarHBondContact O-N 3.03Å; R308-E311 PolarHBondContact O-N 3.31Å; E311-K313 PolarHBondContact O-N 3.39Å; E311-A314 WeakPolarHBondContact O-CB 3.41Å; E311-A314 PolarHBondContact O-N 2.77Å; E311-A314 VanDerWaalsContact O-N 3.12Å; E311-K315 HydrophobicContact CG-CD 4.49Å; E311-K315 PolarHBondContact O-N 3.25Å; E311-W322 HydrophobicContact CG-CH2 4.38Å; E311-W322 HydrophobicContact CG-CZ2 3.59Å; E311-W322 VanDerWaalsContact OE1-CZ2 3.25Å; E311-W322 WeakPolarHBondContact OE1-CZ2 3.16Å
312	R	92.6	Very high	93.2	Very high	147 Å²	147	63.3 Å²	63.3	56%	0.555	30%	0.303	S	S	*	.	H	α-helix	trans	-59.8	-44.7	177.5	-159.9	-171.6	-50.9	157.7	5.9	112.1	R308 A309 A310 A314 K315 E316	R308-R312 WeakPolarHBondContact O-CB 3.37Å; R308-R312 PolarHBondContact O-N 3.36Å; A309-R312 PolarHBondContact O-N 3.39Å; A310-R312 VanDerWaalsContact C-N 3.32Å; A310-R312 PolarHBondContact O-N 3.14Å; R312-A314 VanDerWaalsContact C-N 3.26Å; R312-A314 PolarHBondContact O-N 2.92Å; R312-K315 WeakPolarHBondContact O-CB 3.36Å; R312-K315 PolarHBondContact O-N 3.1Å; R312-E316 WeakPolarHBondContact O-CG 3.41Å; R312-E316 PolarHBondContact O-N 2.88Å
313	K	96.3	Very high	93.5	Very high	94 Å²	94	66.1 Å²	66.1	41%	0.409	30%	0.296	S	S	.	.	H	α-helix	trans	-60	-36.7	174.9	-72.1	178.1	-177.8	-177	0	112.3	A309 A310 E311 R317	A309-K313 WeakPolarHBondContact O-CG 3.47Å; A309-K313 PolarHBondContact O-N 2.95Å; A309-K313 VanDerWaalsContact O-N 3.11Å; A310-K313 PolarHBondContact O-N 3.14Å; E311-K313 PolarHBondContact O-N 3.39Å; K313-R317 WeakPolarHBondContact O-CB 3.46Å; K313-R317 VanDerWaalsContact O-CG 3.28Å; K313-R317 WeakPolarHBondContact O-CG 3.25Å; K313-R317 PolarHBondContact O-N 3.26Å
314	A	96.8	Very high	93.6	Very high	0 Å²	0	70 Å²	70	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-70.9	-38	176.9	0	0	0	0	0	112.5	L285 R286 A310 E311 R312 R318 L319	L285-A314 WeakPolarHBondContact O-CB 3.22Å; R286-A314 WeakPolarHBondContact O-CB 3.23Å; A310-A314 PolarHBondContact O-N 3.12Å; E311-A314 WeakPolarHBondContact O-CB 3.41Å; E311-A314 PolarHBondContact O-N 2.77Å; E311-A314 VanDerWaalsContact O-N 3.12Å; R312-A314 VanDerWaalsContact C-N 3.26Å; R312-A314 PolarHBondContact O-N 2.92Å; A314-R318 PolarHBondContact O-N 3.27Å; A314-L319 HydrophobicContact CB-CB 4.46Å; A314-L319 PolarHBondContact O-N 3Å
315	K	92.6	Very high	93.5	Very high	14 Å²	14	71.1 Å²	71.1	6%	0.061	32%	0.318	C	S	.	.	H	α-helix	trans	-62	-51.2	172.4	-76.9	173.9	167.7	-179.7	0	112.1	E311 R312 R317 R318 W322 Y325 E465	E311-K315 HydrophobicContact CG-CD 4.49Å; E311-K315 PolarHBondContact O-N 3.25Å; R312-K315 WeakPolarHBondContact O-CB 3.36Å; R312-K315 PolarHBondContact O-N 3.1Å; K315-R317 PolarHBondContact O-N 3.43Å; K315-R318 PolarHBondContact O-N 3.18Å; K315-W322 HydrophobicContact CD-CD2 4.45Å; K315-W322 HydrophobicContact CD-CE3 4.28Å; K315-W322 HydrophobicContact CD-CH2 4.47Å; K315-W322 HydrophobicContact CD-CZ3 4.29Å; K315-W322 HydrophobicContact CG-CB 4.39Å; K315-W322 HydrophobicContact CG-CD2 3.46Å; K315-W322 VanDerWaalsContact CG-CD2 3.46Å; K315-W322 HydrophobicContact CG-CE3 3.6Å; K315-W322 HydrophobicContact CG-CG 3.82Å; K315-W322 HydrophobicContact CG-CH2 4.44Å; K315-W322 HydrophobicContact CG-CZ2 4.34Å; K315-W322 HydrophobicContact CG-CZ3 4.1Å; K315-Y325 HydrophobicContact CB-CD1 3.84Å; K315-Y325 HydrophobicContact CB-CE1 3.81Å; K315-Y325 HydrophobicContact CB-CG 4.23Å; K315-Y325 HydrophobicContact CD-CD2 4.32Å; K315-Y325 HydrophobicContact CD-CE1 4.43Å; K315-Y325 HydrophobicContact CD-CE2 3.87Å; K315-Y325 HydrophobicContact CG-CD1 4.28Å; K315-Y325 HydrophobicContact CG-CD2 4.14Å; K315-Y325 HydrophobicContact CG-CE1 4.31Å; K315-Y325 HydrophobicContact CG-CE2 4.16Å; K315-Y325 HydrophobicContact CG-CG 4.19Å; K315-E465 IonicContact NZ-OE1 3.43Å; K315-E465 PolarHBondContact NZ-OE1 2.99Å; K315-E465 IonicContact NZ-OE2 3.4Å; K315-E465 PolarHBondContact NZ-OE2 3.03Å
316	E	91.9	Very high	93.1	Very high	131 Å²	131	71.5 Å²	71.5	61%	0.612	32%	0.32	S	S	*	.	H	α-helix	trans	-55.9	-39.9	178.2	-73.6	165.2	-169.8	0	0	111.9	R312 R318	R312-E316 WeakPolarHBondContact O-CG 3.41Å; R312-E316 PolarHBondContact O-N 2.88Å; E316-R318 VanDerWaalsContact C-N 3.33Å
317	R	95.9	Very high	91.9	Very high	161 Å²	161	69.3 Å²	69.3	61%	0.608	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	1.3	178.8	-65.8	173.8	-177	-169.7	-2.8	114	K313 K315 L319	K313-R317 WeakPolarHBondContact O-CB 3.46Å; K313-R317 VanDerWaalsContact O-CG 3.28Å; K313-R317 WeakPolarHBondContact O-CG 3.25Å; K313-R317 PolarHBondContact O-N 3.26Å; K315-R317 PolarHBondContact O-N 3.43Å; R317-L319 VanDerWaalsContact C-N 3.27Å; R317-L319 HydrophobicContact CB-CD1 4.03Å; R317-L319 HydrophobicContact CB-CD2 4.14Å; R317-L319 HydrophobicContact CB-CG 3.69Å; R317-L319 PolarHBondContact O-N 3.04Å
318	R	94.7	Very high	90.5	Very high	155 Å²	155	72.8 Å²	72.8	59%	0.585	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	44.5	-177.5	-59	-178.1	-179.8	177.1	-0.6	113.3	A314 K315 E316 W322 K323	A314-R318 PolarHBondContact O-N 3.27Å; K315-R318 PolarHBondContact O-N 3.18Å; E316-R318 VanDerWaalsContact C-N 3.33Å; R318-W322 CarbonylContact C-O 3.59Å; R318-W322 VanDerWaalsContact CA-O 3.25Å; R318-W322 WeakPolarHBondContact CA-O 3.46Å; R318-W322 WeakPolarHBondContact CB-O 3.46Å; R318-K323 WeakPolarHBondContact O-CA 3.35Å
319	L	96.1	Very high	88.8	Confident	45 Å²	45	76.7 Å²	76.7	24%	0.236	39%	0.386	C	S	.	.			trans	-82.8	127.8	-175.7	-61.4	178.6	0	0	0	111.6	A314 R317 L321 W322	A314-L319 HydrophobicContact CB-CB 4.46Å; A314-L319 PolarHBondContact O-N 3Å; R317-L319 VanDerWaalsContact C-N 3.27Å; R317-L319 HydrophobicContact CB-CD1 4.03Å; R317-L319 HydrophobicContact CB-CD2 4.14Å; R317-L319 HydrophobicContact CB-CG 3.69Å; R317-L319 PolarHBondContact O-N 3.04Å; L319-L321 PolarHBondContact O-N 3.45Å; L319-W322 WeakPolarHBondContact O-CB 3.34Å; L319-W322 PolarHBondContact O-N 2.89Å
320	R	94.8	Very high	86.7	Confident	69 Å²	69	79.5 Å²	79.5	26%	0.26	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	50.7	-102.3	166.4	-58.8	179.8	-178.6	91.8	-8.6	113.5	Y240 E287 G288 F289 W322 K323	Y240-R320 HydrophobicContact CD1-CB 4.08Å; Y240-R320 HydrophobicContact CD1-CG 4.24Å; Y240-R320 HydrophobicContact CD2-CB 4.03Å; Y240-R320 HydrophobicContact CE1-CB 4.16Å; Y240-R320 HydrophobicContact CE1-CG 4.33Å; Y240-R320 HydrophobicContact CE2-CB 4.12Å; Y240-R320 WeakPolarHBondContact CE2-O 3.35Å; Y240-R320 HydrophobicContact CG-CB 4.01Å; Y240-R320 PolarHBondContact OH-O 3.46Å; E287-R320 WeakPolarHBondContact O-CD 3.13Å; E287-R320 PolarHBondContact O-NH1 3.47Å; E287-R320 IonicContact OE2-CZ 3.39Å; E287-R320 IonicContact OE2-NH1 2.87Å; E287-R320 PolarHBondContact OE2-NH1 3.33Å; E287-R320 IonicContact OE2-NH2 3.05Å; G288-R320 WeakPolarHBondContact O-CB 3.19Å; F289-R320 VanDerWaalsContact CD1-CD 3.47Å; F289-R320 VanDerWaalsContact CE2-CZ 3.46Å; F289-R320 VanDerWaalsContact CZ-CD 3.44Å; R320-W322 PolarHBondContact O-N 2.92Å; R320-K323 WeakPolarHBondContact O-CG 3.02Å; R320-K323 PolarHBondContact O-N 3.11Å
321	L	93.8	Very high	84.5	Confident	28 Å²	28	82.6 Å²	82.6	15%	0.147	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-58.1	-19.2	177.4	-66.7	173.2	0	0	0	113.3	P224 Y240 G288 R291 L319	P224-L321 HydrophobicContact CG-CD1 3.94Å; P224-L321 HydrophobicContact CG-CD2 3.62Å; P224-L321 HydrophobicContact CG-CG 4.21Å; Y240-L321 HydrophobicContact CD2-CD2 3.89Å; Y240-L321 HydrophobicContact CD2-CG 4.29Å; G288-L321 WeakPolarHBondContact O-CB 3.41Å; G288-L321 WeakPolarHBondContact O-CD1 3.33Å; G288-L321 WeakPolarHBondContact O-CG 3.43Å; G288-L321 PolarHBondContact O-N 3.12Å; R291-L321 HydrophobicContact CG-CD1 4.13Å; L319-L321 PolarHBondContact O-N 3.45Å
322	W	94	Very high	82.3	Confident	17 Å²	17	87 Å²	87	6%	0.064	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-106.7	14.6	-179.3	-49.1	108.3	0	0	0	113.5	R291 E311 K315 R318 L319 R320 S324 Y325	R291-W322 HydrophobicContact CB-CZ2 4.31Å; R291-W322 HydrophobicContact CG-CH2 4.08Å; R291-W322 HydrophobicContact CG-CZ2 3.8Å; E311-W322 HydrophobicContact CG-CH2 4.38Å; E311-W322 HydrophobicContact CG-CZ2 3.59Å; E311-W322 VanDerWaalsContact OE1-CZ2 3.25Å; E311-W322 WeakPolarHBondContact OE1-CZ2 3.16Å; K315-W322 HydrophobicContact CD-CD2 4.45Å; K315-W322 HydrophobicContact CD-CE3 4.28Å; K315-W322 HydrophobicContact CD-CH2 4.47Å; K315-W322 HydrophobicContact CD-CZ3 4.29Å; K315-W322 HydrophobicContact CG-CB 4.39Å; K315-W322 HydrophobicContact CG-CD2 3.46Å; K315-W322 VanDerWaalsContact CG-CD2 3.46Å; K315-W322 HydrophobicContact CG-CE3 3.6Å; K315-W322 HydrophobicContact CG-CG 3.82Å; K315-W322 HydrophobicContact CG-CH2 4.44Å; K315-W322 HydrophobicContact CG-CZ2 4.34Å; K315-W322 HydrophobicContact CG-CZ3 4.1Å; R318-W322 CarbonylContact C-O 3.59Å; R318-W322 VanDerWaalsContact CA-O 3.25Å; R318-W322 WeakPolarHBondContact CA-O 3.46Å; R318-W322 WeakPolarHBondContact CB-O 3.46Å; L319-W322 WeakPolarHBondContact O-CB 3.34Å; L319-W322 PolarHBondContact O-N 2.89Å; R320-W322 PolarHBondContact O-N 2.92Å; W322-S324 PolarHBondContact O-N 2.95Å; W322-Y325 HydrophobicContact CE3-CD2 4.02Å; W322-Y325 HydrophobicContact CE3-CG 4.4Å; W322-Y325 HydrophobicContact CZ3-CD2 4.43Å; W322-Y325 WeakPolarHBondContact O-CB 3.36Å; W322-Y325 PolarHBondContact O-N 3.18Å
323	K	92.1	Very high	80.3	Confident	124 Å²	124	85.7 Å²	85.7	54%	0.539	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-38.1	178.4	-80.2	-170.3	-166.6	166.7	0	113.3	Y240 R318 R320	Y240-K323 WeakPolarHBondContact OH-CD 3.38Å; Y240-K323 WeakPolarHBondContact OH-CE 3.29Å; Y240-K323 PolarHBondContact OH-NZ 3.1Å; R318-K323 WeakPolarHBondContact O-CA 3.35Å; R320-K323 WeakPolarHBondContact O-CG 3.02Å; R320-K323 PolarHBondContact O-N 3.11Å
324	S	87.8	Confident	78.4	Confident	117 Å²	117	82.6 Å²	82.6	82%	0.818	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	16.9	177.8	-52.2	0	0	0	0	112.5	W322 E326	W322-S324 PolarHBondContact O-N 2.95Å; S324-E326 PolarHBondContact O-N 3.04Å
325	Y	85.2	Confident	76.8	Confident	49 Å²	49	87.5 Å²	87.5	19%	0.192	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-70.6	118.1	178.2	177.2	-101.8	0	0	0	110	K315 W322 A327 E465	K315-Y325 HydrophobicContact CB-CD1 3.84Å; K315-Y325 HydrophobicContact CB-CE1 3.81Å; K315-Y325 HydrophobicContact CB-CG 4.23Å; K315-Y325 HydrophobicContact CD-CD2 4.32Å; K315-Y325 HydrophobicContact CD-CE1 4.43Å; K315-Y325 HydrophobicContact CD-CE2 3.87Å; K315-Y325 HydrophobicContact CG-CD1 4.28Å; K315-Y325 HydrophobicContact CG-CD2 4.14Å; K315-Y325 HydrophobicContact CG-CE1 4.31Å; K315-Y325 HydrophobicContact CG-CE2 4.16Å; K315-Y325 HydrophobicContact CG-CG 4.19Å; W322-Y325 HydrophobicContact CE3-CD2 4.02Å; W322-Y325 HydrophobicContact CE3-CG 4.4Å; W322-Y325 HydrophobicContact CZ3-CD2 4.43Å; W322-Y325 WeakPolarHBondContact O-CB 3.36Å; W322-Y325 PolarHBondContact O-N 3.18Å; Y325-A327 HydrophobicContact CE1-CB 4.14Å; Y325-E465 HydrophobicContact CE2-CG 4.37Å
326	E	79.6	Confident	76.2	Confident	168 Å²	168	91.4 Å²	91.4	79%	0.785	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-99.7	124.1	166.6	-66.4	-179.6	177.3	0	0	107.4	S324	S324-E326 PolarHBondContact O-N 3.04Å
327	A	70.6	Confident	76.1	Confident	68 Å²	68	89.3 Å²	89.3	56%	0.562	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-61.5	139.9	172.5	0	0	0	0	0	108.2	Y325 A329	Y325-A327 HydrophobicContact CE1-CB 4.14Å; A327-A329 PolarHBondContact O-N 3.27Å
328	P	65.6	Low	75.9	Confident	74 Å²	74	86.1 Å²	86.1	48%	0.481	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-47.2	135.3	166.1	-22.3	30.9	0	0	0	107.9	A330 E465	P328-A330 VanDerWaalsContact C-N 3.33Å; P328-A330 PolarHBondContact O-N 2.93Å; P328-E465 HydrophobicContact CG-CB 4.03Å
329	A	58	Low	75.9	Confident	106 Å²	106	84.8 Å²	84.8	88%	0.876	50%	0.502	S	S	*	.			trans	-51.4	102.1	-178.9	0	0	0	0	0	108.5	A327 S331	A327-A329 PolarHBondContact O-N 3.27Å; A329-S331 PolarHBondContact O-N 2.86Å; A329-S331 VanDerWaalsContact O-N 3.16Å
330	A	49.3	Very low	76	Confident	91 Å²	91	82.8 Å²	82.8	75%	0.752	49%	0.492	S	S	*	.			trans	-65.6	121.8	178.3	0	0	0	0	0	105.2	P328 A332	P328-A330 VanDerWaalsContact C-N 3.33Å; P328-A330 PolarHBondContact O-N 2.93Å; A330-A332 PolarHBondContact O-N 3.18Å; A330-A332 VanDerWaalsContact O-N 3.09Å
331	S	50.3	Low	76.1	Confident	65 Å²	65	84.3 Å²	84.3	46%	0.455	50%	0.501	S	S	.	.			trans	-51.9	123.2	159.8	42.7	0	0	0	0	106.4	A329 D333 G334	A329-S331 PolarHBondContact O-N 2.86Å; A329-S331 VanDerWaalsContact O-N 3.16Å; S331-D333 PolarHBondContact O-N 2.96Å; S331-G334 PolarHBondContact O-N 2.97Å; S331-G334 PolarHBondContact OG-O 2.69Å
332	A	50.2	Low	76.3	Confident	104 Å²	104	83 Å²	83	86%	0.86	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-22.5	-173.3	0	0	0	0	0	113.3	A330	A330-A332 PolarHBondContact O-N 3.18Å; A330-A332 VanDerWaalsContact O-N 3.09Å
333	D	50.5	Low	76.4	Confident	119 Å²	119	83.9 Å²	83.9	64%	0.636	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	11.6	-179	-56.7	-36.2	0	0	0	114.5	S331 K336	S331-D333 PolarHBondContact O-N 2.96Å; D333-K336 VanDerWaalsContact CB-CE 3.45Å; D333-K336 HydrophobicContact CB-CG 4.48Å; D333-K336 WeakPolarHBondContact OD2-CE 3.28Å; D333-K336 IonicContact OD2-NZ 3.35Å; D333-K336 PolarHBondContact OD2-NZ 3.06Å
334	G	55.9	Low	76.5	Confident	30 Å²	30	79.7 Å²	79.7	31%	0.309	48%	0.483	S	S	.	.			trans	71	-171.4	-172.1	0	0	0	0	0	112.9	S331 K336	S331-G334 PolarHBondContact O-N 2.97Å; S331-G334 PolarHBondContact OG-O 2.69Å; G334-K336 PolarHBondContact O-N 3.42Å
335	P	64.6	Low	77	Confident	103 Å²	103	74.1 Å²	74.1	67%	0.669	44%	0.444	S	S	*	.	S	Bend	trans	-68	103.3	179	24.9	-29.9	0	0	0	110	V337 T419	P335-V337 PolarHBondContact O-N 3.43Å; P335-T419 HydrophobicContact CB-CG2 3.69Å
336	K	79.1	Confident	77.4	Confident	95 Å²	95	73.6 Å²	73.6	41%	0.413	45%	0.447	S	S	.	.			trans	-66	119.5	175.7	-69.6	-173.6	-178.8	-176	0	109.6	D333 G334 Y338	D333-K336 VanDerWaalsContact CB-CE 3.45Å; D333-K336 HydrophobicContact CB-CG 4.48Å; D333-K336 WeakPolarHBondContact OD2-CE 3.28Å; D333-K336 IonicContact OD2-NZ 3.35Å; D333-K336 PolarHBondContact OD2-NZ 3.06Å; G334-K336 PolarHBondContact O-N 3.42Å; K336-Y338 HydrophobicContact CB-CE1 4.44Å; K336-Y338 HydrophobicContact CB-CE2 3.76Å; K336-Y338 VanDerWaalsContact O-CD2 3.31Å; K336-Y338 WeakPolarHBondContact O-CD2 3.38Å; K336-Y338 VanDerWaalsContact O-CE2 3.27Å; K336-Y338 WeakPolarHBondContact O-CE2 3.13Å
337	V	89.2	Confident	77.7	Confident	88 Å²	88	68.8 Å²	68.8	53%	0.533	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	123.8	172.4	-177.2	0	0	0	0	108.3	P335 Q417	P335-V337 PolarHBondContact O-N 3.43Å; V337-Q417 HydrophobicContact CG1-CB 4.17Å; V337-Q417 HydrophobicContact CG1-CG 4.34Å
338	Y	92.7	Very high	78.4	Confident	94 Å²	94	65.6 Å²	65.6	37%	0.369	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	153.6	178	-60.2	-84	0	0	0	110.5	K336 Q417 Y418 V420	K336-Y338 HydrophobicContact CB-CE1 4.44Å; K336-Y338 HydrophobicContact CB-CE2 3.76Å; K336-Y338 VanDerWaalsContact O-CD2 3.31Å; K336-Y338 WeakPolarHBondContact O-CD2 3.38Å; K336-Y338 VanDerWaalsContact O-CE2 3.27Å; K336-Y338 WeakPolarHBondContact O-CE2 3.13Å; Y338-Q417 CarbonylContact O-C 3.6Å; Y338-Q417 VanDerWaalsContact O-CA 3.28Å; Y338-Q417 WeakPolarHBondContact O-CA 3.42Å; Y338-Y418 VanDerWaalsContact CB-CE1 3.44Å; Y338-Y418 HydrophobicContact CD2-CD2 4.38Å; Y338-Y418 AromaticContact CD2-CE2 3.95Å; Y338-Y418 HydrophobicContact CD2-CE2 3.95Å; Y338-Y418 HydrophobicContact CG-CE1 4.48Å; Y338-Y418 HydrophobicContact CG-CE2 4.09Å; Y338-Y418 AromaticContact CG-CZ 3.96Å; Y338-Y418 PolarHBondContact N-O 3.05Å; Y338-Y418 PolarHBondContact O-N 3.33Å; Y338-V420 HydrophobicContact CE2-CG2 4.18Å
339	Q	95.5	Very high	79.7	Confident	126 Å²	126	63.2 Å²	63.2	59%	0.589	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	131	169.8	-68.3	-172.3	28.3	0	0	109.7	T415 V416 Q417	Q339-T415 HydrophobicContact CB-CG2 4.31Å; Q339-V416 WeakPolarHBondContact CA-O 3.43Å; Q339-Q417 HydrophobicContact CG-CG 3.86Å
340	A	96.7	Very high	81.5	Confident	3 Å²	3	58.3 Å²	58.3	3%	0.025	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	155.3	177.4	0	0	0	0	0	111.1	V353 K354 K355 T415 V416 Y418	A340-V353 HydrophobicContact CB-CB 3.68Å; A340-V353 HydrophobicContact CB-CG1 4.48Å; A340-V353 HydrophobicContact CB-CG2 3.98Å; A340-K354 WeakPolarHBondContact CB-O 3.08Å; A340-K355 HydrophobicContact CB-CG 4.47Å; A340-T415 WeakPolarHBondContact O-CA 3.38Å; A340-V416 PolarHBondContact N-O 3.43Å; A340-V416 VanDerWaalsContact N-O 3.16Å; A340-V416 PolarHBondContact O-N 3.49Å; A340-Y418 HydrophobicContact CB-CE1 3.72Å
341	K	97.6	Very high	83.8	Confident	101 Å²	101	54 Å²	54	44%	0.439	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	126.6	177.5	-175	178.4	-179.4	176.6	0	109.8	T343 V353 K354 G413 K414	K341-T343 PolarHBondContact O-N 2.94Å; K341-V353 CarbonylContact O-C 3.53Å; K341-V353 WeakPolarHBondContact O-CA 3.5Å; K341-K354 PolarHBondContact N-O 3.46Å; K341-K354 PolarHBondContact O-N 3.42Å; K341-G413 WeakPolarHBondContact CE-O 3.44Å; K341-K414 WeakPolarHBondContact CA-O 3.13Å
342	V	97.6	Very high	86	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	123.8	174.6	178.9	0	0	0	0	109	I345 M351 V353 L411 G413 K414 V416	V342-I345 HydrophobicContact CG1-CD1 3.74Å; V342-M351 HydrophobicContact CG1-CB 4.18Å; V342-M351 HydrophobicContact CG1-SD 4.39Å; V342-M351 HydrophobicContact CG2-SD 3.86Å; V342-V353 HydrophobicContact CG2-CG1 4.05Å; V342-L411 HydrophobicContact CB-CB 4.2Å; V342-L411 WeakPolarHBondContact CB-O 3.3Å; V342-L411 HydrophobicContact CG1-CB 4.05Å; V342-L411 HydrophobicContact CG2-CB 4.16Å; V342-G413 PolarHBondContact O-N 3.25Å; V342-K414 PolarHBondContact N-O 3.16Å; V342-V416 HydrophobicContact CG2-CB 4.4Å; V342-V416 HydrophobicContact CG2-CG1 3.76Å; V342-V416 HydrophobicContact CG2-CG2 3.7Å
343	T	95.5	Very high	88.3	Confident	36 Å²	36	47.4 Å²	47.4	22%	0.221	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-28.4	-178.3	52.8	0	0	0	0	112.8	K341 I352 K354	K341-T343 PolarHBondContact O-N 2.94Å; T343-I352 PolarHBondContact N-O 3.33Å; T343-I352 PolarHBondContact OG1-O 3.36Å; T343-K354 HydrophobicContact CG2-CB 3.72Å
344	E	95.9	Very high	90.4	Very high	36 Å²	36	45.4 Å²	45.4	17%	0.168	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	141.4	179.6	172	-180	161.4	0	0	110.4	V346 M351 I352 R596 F600	E344-V346 HydrophobicContact CG-CG2 4.26Å; E344-M351 CarbonylContact O-C 3.56Å; E344-M351 WeakPolarHBondContact O-CA 3.42Å; E344-M351 VanDerWaalsContact O-CB 3.29Å; E344-M351 WeakPolarHBondContact O-CB 3.34Å; E344-I352 HydrophobicContact CB-CB 3.96Å; E344-I352 HydrophobicContact CB-CG1 3.86Å; E344-I352 HydrophobicContact CG-CG1 4.24Å; E344-I352 PolarHBondContact N-O 2.99Å; E344-I352 PolarHBondContact O-N 3.24Å; E344-R596 IonicContact OE2-CZ 3.46Å; E344-R596 IonicContact OE2-NH2 3.81Å; E344-R596 PolarHBondContact OE2-NH2 3.5Å; E344-F600 HydrophobicContact CB-CE1 3.95Å; E344-F600 HydrophobicContact CG-CE1 3.73Å; E344-F600 HydrophobicContact CG-CZ 4.35Å
345	I	97.3	Very high	92.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	117	160.5	-56.5	-54.1	0	0	0	107.8	V342 L347 M351 R404 L407 L411 V412 Q601	V342-I345 HydrophobicContact CG1-CD1 3.74Å; I345-L347 WeakPolarHBondContact CG2-O 3.26Å; I345-M351 HydrophobicContact CD1-CB 3.77Å; I345-R404 HydrophobicContact CG2-CG 4.1Å; I345-L407 HydrophobicContact CD1-CB 3.92Å; I345-L407 HydrophobicContact CG1-CB 3.91Å; I345-L407 HydrophobicContact CG2-CB 3.87Å; I345-L407 HydrophobicContact CG2-CD1 3.88Å; I345-L411 HydrophobicContact CD1-CB 4.29Å; I345-L411 HydrophobicContact CD1-CD1 4.21Å; I345-V412 HydrophobicContact CG1-CG2 3.81Å; I345-Q601 PolarHBondContact O-NE2 2.83Å; I345-Q601 PolarHBondContact O-OE1 2.84Å
346	V	93.5	Very high	93.5	Very high	39 Å²	39	47.6 Å²	47.6	24%	0.236	25%	0.248	C	C	.	.			trans	-76.8	-48.4	-172.9	-176.7	0	0	0	0	110.6	E344 A350 I352	E344-V346 HydrophobicContact CG-CG2 4.26Å; V346-A350 HydrophobicContact CB-CB 4.13Å; V346-A350 HydrophobicContact CG2-CB 4.46Å; V346-A350 PolarHBondContact N-O 3.1Å; V346-I352 HydrophobicContact CG2-CD1 4.11Å; V346-I352 HydrophobicContact CG2-CG1 4.1Å
347	L	86	Confident	94.1	Very high	67 Å²	67	48.9 Å²	48.9	35%	0.351	26%	0.259	S	S	.	.	S	Bend	trans	-146.8	-122.1	176.6	-72.2	176.1	0	0	0	109.8	I345 L400 R404	I345-L347 WeakPolarHBondContact CG2-O 3.26Å; L347-L400 HydrophobicContact CD2-CD2 4.39Å; L347-R404 WeakPolarHBondContact O-CB 3.31Å
348	G	85.1	Confident	94.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-102	-12.3	-177.6	0	0	0	0	0	115.1	S370 L407 L449	G348-S370 WeakPolarHBondContact CA-OG 3.28Å; G348-S370 PolarHBondContact N-OG 2.61Å; G348-L407 WeakPolarHBondContact O-CD1 3.44Å; G348-L449 VanDerWaalsContact O-CD1 3.31Å; G348-L449 WeakPolarHBondContact O-CD1 3.44Å
349	D	92.4	Very high	94.1	Very high	25 Å²	25	44.3 Å²	44.3	13%	0.134	25%	0.251	C	S	.	.	S	Bend	trans	-140.5	0.7	-173.5	55.9	15.7	0	0	0	114	W364 L365 S370	D349-W364 CarbonylContact O-C 3.6Å; D349-W364 WeakPolarHBondContact O-CA 3.48Å; D349-L365 PolarHBondContact O-N 3.2Å; D349-S370 WeakPolarHBondContact CB-OG 3.38Å; D349-S370 PolarHBondContact N-OG 2.88Å; D349-S370 VanDerWaalsContact N-OG 3.07Å; D349-S370 PolarHBondContact OD1-OG 2.96Å; D349-S370 WeakPolarHBondContact OD2-CB 3.49Å; D349-S370 PolarHBondContact OD2-N 3.02Å; D349-S370 PolarHBondContact OD2-OG 3.27Å
350	A	96	Very high	94	Very high	3 Å²	3	42 Å²	42	3%	0.025	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.4	-175.2	0	0	0	0	0	111.1	V346 I363 W364	V346-A350 HydrophobicContact CB-CB 4.13Å; V346-A350 HydrophobicContact CG2-CB 4.46Å; V346-A350 PolarHBondContact N-O 3.1Å; A350-I363 WeakPolarHBondContact CA-O 3.49Å; A350-W364 HydrophobicContact CB-CG 4.15Å
351	M	97.5	Very high	93.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	153.9	-178.9	64.6	-169.1	77.5	0	0	111.5	V342 E344 I345 V353 K362 I363 L365 L411 V438	V342-M351 HydrophobicContact CG1-CB 4.18Å; V342-M351 HydrophobicContact CG1-SD 4.39Å; V342-M351 HydrophobicContact CG2-SD 3.86Å; E344-M351 CarbonylContact O-C 3.56Å; E344-M351 WeakPolarHBondContact O-CA 3.42Å; E344-M351 VanDerWaalsContact O-CB 3.29Å; E344-M351 WeakPolarHBondContact O-CB 3.34Å; I345-M351 HydrophobicContact CD1-CB 3.77Å; M351-V353 HydrophobicContact CG-CG1 4.19Å; M351-V353 HydrophobicContact SD-CG1 4.47Å; M351-K362 WeakPolarHBondContact O-CA 3.25Å; M351-I363 HydrophobicContact CG-CD1 3.99Å; M351-I363 HydrophobicContact CG-CG1 3.56Å; M351-I363 PolarHBondContact N-O 3.01Å; M351-I363 PolarHBondContact O-N 3.06Å; M351-I363 HydrophobicContact SD-CD1 4.23Å; M351-I363 HydrophobicContact SD-CG1 4.41Å; M351-L365 HydrophobicContact CE-CD2 3.9Å; M351-L365 HydrophobicContact CE-CG 4.23Å; M351-L411 HydrophobicContact CE-CD1 3.78Å; M351-L411 HydrophobicContact SD-CD1 4.1Å; M351-V438 HydrophobicContact CE-CG2 4.34Å; M351-V438 HydrophobicContact SD-CG1 4.31Å; M351-V438 HydrophobicContact SD-CG2 4.44Å
352	I	97.6	Very high	93.9	Very high	30 Å²	30	43.3 Å²	43.3	15%	0.154	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.1	168.3	-50.3	-60	0	0	0	108	T343 E344 V346 Q361 K362	T343-I352 PolarHBondContact N-O 3.33Å; T343-I352 PolarHBondContact OG1-O 3.36Å; E344-I352 HydrophobicContact CB-CB 3.96Å; E344-I352 HydrophobicContact CB-CG1 3.86Å; E344-I352 HydrophobicContact CG-CG1 4.24Å; E344-I352 PolarHBondContact N-O 2.99Å; E344-I352 PolarHBondContact O-N 3.24Å; V346-I352 HydrophobicContact CG2-CD1 4.11Å; V346-I352 HydrophobicContact CG2-CG1 4.1Å; I352-Q361 WeakPolarHBondContact CA-O 3.46Å; I352-K362 HydrophobicContact CD1-CB 3.48Å; I352-K362 VanDerWaalsContact CD1-CB 3.48Å; I352-K362 HydrophobicContact CD1-CD 4Å; I352-K362 HydrophobicContact CD1-CG 3.64Å
353	V	97.2	Very high	93.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.2	175.3	-62	0	0	0	0	110.2	A340 K341 V342 M351 S360 Q361 I363 Y418	A340-V353 HydrophobicContact CB-CB 3.68Å; A340-V353 HydrophobicContact CB-CG1 4.48Å; A340-V353 HydrophobicContact CB-CG2 3.98Å; K341-V353 CarbonylContact O-C 3.53Å; K341-V353 WeakPolarHBondContact O-CA 3.5Å; V342-V353 HydrophobicContact CG2-CG1 4.05Å; M351-V353 HydrophobicContact CG-CG1 4.19Å; M351-V353 HydrophobicContact SD-CG1 4.47Å; V353-S360 CarbonylContact O-C 3.52Å; V353-S360 WeakPolarHBondContact O-CA 3.17Å; V353-Q361 HydrophobicContact CG2-CB 4.28Å; V353-Q361 WeakPolarHBondContact CG2-O 3.24Å; V353-Q361 PolarHBondContact N-O 2.62Å; V353-Q361 PolarHBondContact O-N 3.35Å; V353-I363 HydrophobicContact CG1-CD1 3.62Å; V353-I363 HydrophobicContact CG1-CG1 4.07Å; V353-I363 HydrophobicContact CG2-CD1 4.15Å; V353-I363 HydrophobicContact CG2-CG1 4.4Å; V353-I363 HydrophobicContact CG2-CG2 4.25Å; V353-Y418 HydrophobicContact CG2-CE1 4.25Å
354	K	96.2	Very high	93.9	Very high	78 Å²	78	43 Å²	43	34%	0.339	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	119.2	173.2	-171.1	173.6	-175	172.3	0	109.1	A340 K341 T343 G358 S359	A340-K354 WeakPolarHBondContact CB-O 3.08Å; K341-K354 PolarHBondContact N-O 3.46Å; K341-K354 PolarHBondContact O-N 3.42Å; T343-K354 HydrophobicContact CG2-CB 3.72Å; K354-G358 VanDerWaalsContact CE-O 3.3Å; K354-G358 WeakPolarHBondContact CE-O 3.42Å; K354-S359 CarbonylContact C-O 3.57Å; K354-S359 WeakPolarHBondContact CA-O 3.44Å
355	K	93.8	Very high	94	Very high	66 Å²	66	41.6 Å²	41.6	29%	0.287	24%	0.243	S	C	.	.			trans	-77.3	169.9	179	-65.3	-179.5	-170.5	170.1	0	110.7	A340 D357 G358 S359	A340-K355 HydrophobicContact CB-CG 4.47Å; K355-D357 VanDerWaalsContact CB-OD1 3.25Å; K355-D357 WeakPolarHBondContact CB-OD1 3.29Å; K355-D357 PolarHBondContact O-N 3.1Å; K355-G358 PolarHBondContact O-N 3.32Å; K355-S359 PolarHBondContact N-O 3.49Å
356	A	90.5	Very high	93.9	Very high	112 Å²	112	41.7 Å²	41.7	93%	0.926	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.5	179.7	0	0	0	0	0	113.3	G358	A356-G358 PolarHBondContact O-N 3.04Å
357	D	91.8	Very high	94	Very high	122 Å²	122	39.9 Å²	39.9	65%	0.652	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-0.7	174.6	64.8	4.5	0	0	0	113.7	K355 S359	K355-D357 VanDerWaalsContact CB-OD1 3.25Å; K355-D357 WeakPolarHBondContact CB-OD1 3.29Å; K355-D357 PolarHBondContact O-N 3.1Å; D357-S359 VanDerWaalsContact C-N 3.28Å; D357-S359 VanDerWaalsContact CG-OG 3.29Å; D357-S359 PolarHBondContact O-N 2.93Å; D357-S359 VanDerWaalsContact OD1-CB 3.25Å; D357-S359 WeakPolarHBondContact OD1-CB 3.4Å; D357-S359 PolarHBondContact OD1-N 3.33Å; D357-S359 PolarHBondContact OD1-OG 3.32Å; D357-S359 PolarHBondContact OD2-OG 3.02Å
358	G	89	Confident	94.5	Very high	38 Å²	38	37.2 Å²	37.2	39%	0.392	22%	0.22	S	C	.	.	S	Bend	trans	85.6	-10.8	-177.9	0	0	0	0	0	114.8	K354 K355 A356	K354-G358 VanDerWaalsContact CE-O 3.3Å; K354-G358 WeakPolarHBondContact CE-O 3.42Å; K355-G358 PolarHBondContact O-N 3.32Å; A356-G358 PolarHBondContact O-N 3.04Å
359	S	94.1	Very high	94.9	Very high	48 Å²	48	40.1 Å²	40.1	34%	0.336	23%	0.231	S	C	.	.			trans	-67.7	147.8	177	72	0	0	0	0	111.4	K354 K355 D357	K354-S359 CarbonylContact C-O 3.57Å; K354-S359 WeakPolarHBondContact CA-O 3.44Å; K355-S359 PolarHBondContact N-O 3.49Å; D357-S359 VanDerWaalsContact C-N 3.28Å; D357-S359 VanDerWaalsContact CG-OG 3.29Å; D357-S359 PolarHBondContact O-N 2.93Å; D357-S359 VanDerWaalsContact OD1-CB 3.25Å; D357-S359 WeakPolarHBondContact OD1-CB 3.4Å; D357-S359 PolarHBondContact OD1-N 3.33Å; D357-S359 PolarHBondContact OD1-OG 3.32Å; D357-S359 PolarHBondContact OD2-OG 3.02Å
360	S	93.7	Very high	94.9	Very high	79 Å²	79	39.5 Å²	39.5	55%	0.552	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.5	177.7	-66.3	0	0	0	0	110.9	V353	V353-S360 CarbonylContact O-C 3.52Å; V353-S360 WeakPolarHBondContact O-CA 3.17Å
361	Q	94.1	Very high	94.7	Very high	46 Å²	46	39.5 Å²	39.5	22%	0.215	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.8	178.5	-178.3	178.6	-15.9	0	0	110.1	I352 V353 I363	I352-Q361 WeakPolarHBondContact CA-O 3.46Å; V353-Q361 HydrophobicContact CG2-CB 4.28Å; V353-Q361 WeakPolarHBondContact CG2-O 3.24Å; V353-Q361 PolarHBondContact N-O 2.62Å; V353-Q361 PolarHBondContact O-N 3.35Å; Q361-I363 HydrophobicContact CG-CG2 4.08Å
362	K	96.6	Very high	94.2	Very high	84 Å²	84	43.7 Å²	43.7	37%	0.365	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	128.6	168.7	-170.9	169	-179.9	173.7	0	110	M351 I352 W364	M351-K362 WeakPolarHBondContact O-CA 3.25Å; I352-K362 HydrophobicContact CD1-CB 3.48Å; I352-K362 VanDerWaalsContact CD1-CB 3.48Å; I352-K362 HydrophobicContact CD1-CD 4Å; I352-K362 HydrophobicContact CD1-CG 3.64Å; K362-W364 HydrophobicContact CB-CH2 4.03Å; K362-W364 HydrophobicContact CB-CZ3 4.11Å; K362-W364 HydrophobicContact CD-CH2 3.62Å; K362-W364 HydrophobicContact CD-CZ2 3.58Å; K362-W364 HydrophobicContact CD-CZ3 4.4Å; K362-W364 HydrophobicContact CG-CE3 4.36Å; K362-W364 HydrophobicContact CG-CH2 3.57Å; K362-W364 HydrophobicContact CG-CZ2 3.82Å; K362-W364 HydrophobicContact CG-CZ3 3.84Å; K362-W364 VanDerWaalsContact O-CZ3 3.29Å; K362-W364 WeakPolarHBondContact O-CZ3 3.49Å
363	I	96.4	Very high	93.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	154.4	176.3	64.3	172.9	0	0	0	110.2	A350 M351 V353 Q361 Y418 V438	A350-I363 WeakPolarHBondContact CA-O 3.49Å; M351-I363 HydrophobicContact CG-CD1 3.99Å; M351-I363 HydrophobicContact CG-CG1 3.56Å; M351-I363 PolarHBondContact N-O 3.01Å; M351-I363 PolarHBondContact O-N 3.06Å; M351-I363 HydrophobicContact SD-CD1 4.23Å; M351-I363 HydrophobicContact SD-CG1 4.41Å; V353-I363 HydrophobicContact CG1-CD1 3.62Å; V353-I363 HydrophobicContact CG1-CG1 4.07Å; V353-I363 HydrophobicContact CG2-CD1 4.15Å; V353-I363 HydrophobicContact CG2-CG1 4.4Å; V353-I363 HydrophobicContact CG2-CG2 4.25Å; Q361-I363 HydrophobicContact CG-CG2 4.08Å; I363-Y418 HydrophobicContact CD1-CD1 4.41Å; I363-Y418 HydrophobicContact CD1-CD2 4.17Å; I363-Y418 HydrophobicContact CD1-CG 4.08Å; I363-Y418 HydrophobicContact CG2-CE2 4.36Å; I363-V438 HydrophobicContact CD1-CG2 4.07Å
364	W	97.1	Very high	92	Very high	30 Å²	30	50.3 Å²	50.3	11%	0.114	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	147.7	179.3	-68.3	-102.6	0	0	0	109.9	D349 A350 K362 S366 R433 V434 C435 C436	D349-W364 CarbonylContact O-C 3.6Å; D349-W364 WeakPolarHBondContact O-CA 3.48Å; A350-W364 HydrophobicContact CB-CG 4.15Å; K362-W364 HydrophobicContact CB-CH2 4.03Å; K362-W364 HydrophobicContact CB-CZ3 4.11Å; K362-W364 HydrophobicContact CD-CH2 3.62Å; K362-W364 HydrophobicContact CD-CZ2 3.58Å; K362-W364 HydrophobicContact CD-CZ3 4.4Å; K362-W364 HydrophobicContact CG-CE3 4.36Å; K362-W364 HydrophobicContact CG-CH2 3.57Å; K362-W364 HydrophobicContact CG-CZ2 3.82Å; K362-W364 HydrophobicContact CG-CZ3 3.84Å; K362-W364 VanDerWaalsContact O-CZ3 3.29Å; K362-W364 WeakPolarHBondContact O-CZ3 3.49Å; W364-S366 PolarHBondContact O-N 3.41Å; W364-R433 HydrophobicContact CD2-CB 3.84Å; W364-R433 HydrophobicContact CD2-CG 4.11Å; W364-R433 HydrophobicContact CE3-CB 3.81Å; W364-R433 HydrophobicContact CE3-CG 4.41Å; W364-R433 HydrophobicContact CG-CB 4.3Å; W364-R433 HydrophobicContact CH2-CB 4.45Å; W364-R433 HydrophobicContact CH2-CG 4.36Å; W364-R433 HydrophobicContact CZ2-CB 4.48Å; W364-R433 HydrophobicContact CZ2-CG 4.06Å; W364-R433 HydrophobicContact CZ3-CB 4.15Å; W364-V434 PolarHBondContact N-O 3Å; W364-C435 CarbonylContact O-C 3.59Å; W364-C435 WeakPolarHBondContact O-CA 3.25Å; W364-C436 PolarHBondContact O-N 3.06Å
365	L	97.5	Very high	90.6	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	121.1	172.2	-66.2	177.1	0	0	0	109.6	D349 M351 S367 V368 C436 V438 V445 L449	D349-L365 PolarHBondContact O-N 3.2Å; M351-L365 HydrophobicContact CE-CD2 3.9Å; M351-L365 HydrophobicContact CE-CG 4.23Å; L365-S367 PolarHBondContact O-N 3.19Å; L365-V368 HydrophobicContact CB-CB 3.69Å; L365-V368 HydrophobicContact CB-CG1 4.34Å; L365-V368 HydrophobicContact CB-CG2 3.84Å; L365-V368 HydrophobicContact CD1-CB 4.49Å; L365-V368 HydrophobicContact CD1-CG1 4.29Å; L365-V368 PolarHBondContact O-N 3.14Å; L365-C436 WeakPolarHBondContact CA-O 3.15Å; L365-V438 HydrophobicContact CD2-CB 3.83Å; L365-V438 HydrophobicContact CD2-CG2 3.68Å; L365-V445 HydrophobicContact CD1-CG1 4.08Å; L365-V445 HydrophobicContact CD2-CB 4.22Å; L365-V445 HydrophobicContact CD2-CG1 4.04Å; L365-L449 HydrophobicContact CD1-CD1 3.55Å
366	S	95	Very high	89.3	Confident	3 Å²	3	45 Å²	45	2%	0.021	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	131.5	-177	60.2	0	0	0	0	111.4	W364 V368 D421 C436 T437 S468	W364-S366 PolarHBondContact O-N 3.41Å; S366-V368 PolarHBondContact O-N 2.69Å; S366-D421 WeakPolarHBondContact CB-OD2 2.71Å; S366-D421 PolarHBondContact OG-OD2 3.17Å; S366-C436 PolarHBondContact N-O 2.98Å; S366-C436 PolarHBondContact OG-O 2.88Å; S366-T437 PolarHBondContact OG-N 3.44Å; S366-T437 PolarHBondContact OG-OG1 3.34Å; S366-S468 VanDerWaalsContact OG-CB 3.27Å; S366-S468 WeakPolarHBondContact OG-CB 3.46Å; S366-S468 PolarHBondContact OG-OG 3.03Å
367	S	95.6	Very high	87.8	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.007	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	17.6	-178.3	-44.8	0	0	0	0	115.9	L365 F458 H460 S468	L365-S367 PolarHBondContact O-N 3.19Å; S367-F458 PolarHBondContact O-N 3.18Å; S367-H460 WeakPolarHBondContact CB-NE2 3.4Å; S367-H460 PolarHBondContact OG-NE2 2.74Å; S367-S468 PolarHBondContact OG-N 3.33Å
368	V	96.8	Very high	86.1	Confident	11 Å²	11	41 Å²	41	7%	0.067	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	142.7	173.7	-178	0	0	0	0	108.3	L365 S366 I450 A455 L474	L365-V368 HydrophobicContact CB-CB 3.69Å; L365-V368 HydrophobicContact CB-CG1 4.34Å; L365-V368 HydrophobicContact CB-CG2 3.84Å; L365-V368 HydrophobicContact CD1-CB 4.49Å; L365-V368 HydrophobicContact CD1-CG1 4.29Å; L365-V368 PolarHBondContact O-N 3.14Å; S366-V368 PolarHBondContact O-N 2.69Å; V368-I450 HydrophobicContact CG1-CD1 4.31Å; V368-I450 HydrophobicContact CG1-CG1 4.41Å; V368-I450 HydrophobicContact CG2-CD1 3.96Å; V368-A455 HydrophobicContact CG1-CB 3.66Å; V368-L474 HydrophobicContact CG2-CD1 4.21Å
369	R	93.9	Very high	84.4	Confident	61 Å²	61	44.5 Å²	44.5	23%	0.23	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.4	179.5	-177.1	-175.9	-70.3	-167.4	5	110	A455 T456	R369-A455 WeakPolarHBondContact O-CA 3.42Å; R369-A455 WeakPolarHBondContact O-CB 3.48Å; R369-T456 PolarHBondContact N-O 3.26Å; R369-T456 PolarHBondContact O-N 3.06Å
370	S	93.7	Very high	82.5	Confident	12 Å²	12	48.3 Å²	48.3	8%	0.084	24%	0.235	C	C	.	.			trans	-56.7	153.1	171.4	-62.2	0	0	0	0	112.3	G348 D349	G348-S370 WeakPolarHBondContact CA-OG 3.28Å; G348-S370 PolarHBondContact N-OG 2.61Å; D349-S370 WeakPolarHBondContact CB-OG 3.38Å; D349-S370 PolarHBondContact N-OG 2.88Å; D349-S370 VanDerWaalsContact N-OG 3.07Å; D349-S370 PolarHBondContact OD1-OG 2.96Å; D349-S370 WeakPolarHBondContact OD2-CB 3.49Å; D349-S370 PolarHBondContact OD2-N 3.02Å; D349-S370 PolarHBondContact OD2-OG 3.27Å
371	P	91.7	Very high	80.3	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.013	24%	0.235	C	C	.	.			trans	-52.4	139.1	171.2	-18.8	24.2	0	0	0	112.3	I397 P398 F399 L400 A403 L454 I488	P371-I397 HydrophobicContact CB-CG2 4.2Å; P371-I397 WeakPolarHBondContact O-CG2 3.42Å; P371-P398 WeakPolarHBondContact CB-O 3.45Å; P371-F399 HydrophobicContact CB-CB 4.4Å; P371-F399 HydrophobicContact CG-CB 4.12Å; P371-L400 HydrophobicContact CB-CB 4.42Å; P371-L400 HydrophobicContact CG-CB 4.38Å; P371-L400 HydrophobicContact CG-CD1 4.44Å; P371-A403 HydrophobicContact CG-CB 4.39Å; P371-L454 VanDerWaalsContact CD-O 3.25Å; P371-L454 WeakPolarHBondContact CD-O 3.32Å; P371-L454 VanDerWaalsContact CG-O 3.26Å; P371-L454 WeakPolarHBondContact CG-O 3.3Å; P371-I488 HydrophobicContact CB-CD1 3.92Å; P371-I488 HydrophobicContact CB-CG1 4.38Å; P371-I488 HydrophobicContact CG-CD1 3.89Å
372	R	85.9	Confident	78.1	Confident	89 Å²	89	54.3 Å²	54.3	34%	0.336	26%	0.261	S	S	.	.			trans	-136.9	168	172.1	-60	175.4	-63.9	151.3	22.9	111.1	E374 D375	R372-E374 VanDerWaalsContact C-N 3.3Å; R372-E374 WeakPolarHBondContact CB-OE2 3.4Å; R372-E374 PolarHBondContact O-N 3.26Å; R372-D375 PolarHBondContact N-OD2 2.67Å; R372-D375 IonicContact NE-OD2 2.64Å; R372-D375 IonicContact NH2-OD1 2.82Å; R372-D375 WeakPolarHBondContact O-CB 3.39Å; R372-D375 PolarHBondContact O-N 2.99Å; R372-D375 VanDerWaalsContact O-N 3.17Å
373	W	75.9	Confident	75.8	Confident	48 Å²	48	56.5 Å²	56.5	18%	0.182	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-58.7	-40.9	179.6	-66.8	105	0	0	0	113	D375 L376 N377 V378 D396 I397 I509	W373-D375 PolarHBondContact O-N 3.42Å; W373-L376 PolarHBondContact O-N 3.33Å; W373-N377 PolarHBondContact O-N 3.27Å; W373-V378 HydrophobicContact CE3-CB 4.1Å; W373-V378 HydrophobicContact CE3-CG1 3.69Å; W373-V378 HydrophobicContact CZ3-CG1 3.78Å; W373-V378 PolarHBondContact O-N 2.99Å; W373-D396 HydrophobicContact CH2-CB 4.42Å; W373-D396 WeakPolarHBondContact CH2-O 3.38Å; W373-D396 HydrophobicContact CZ2-CB 3.9Å; W373-D396 WeakPolarHBondContact CZ2-O 3.37Å; W373-I397 HydrophobicContact CZ2-CG1 4.31Å; W373-I509 HydrophobicContact CH2-CD1 3.79Å; W373-I509 HydrophobicContact CH2-CG1 4.22Å; W373-I509 HydrophobicContact CZ3-CD1 4.17Å
374	E	72.9	Confident	73.3	Confident	120 Å²	120	62.9 Å²	62.9	56%	0.561	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-64	-28.2	-178.8	-56.7	80.1	-171.4	0	0	111.5	R372 L376 N377	R372-E374 VanDerWaalsContact C-N 3.3Å; R372-E374 WeakPolarHBondContact CB-OE2 3.4Å; R372-E374 PolarHBondContact O-N 3.26Å; E374-L376 PolarHBondContact O-N 3.36Å; E374-N377 PolarHBondContact O-N 3.16Å
375	D	67.5	Low	70.8	Confident	21 Å²	21	65.2 Å²	65.2	11%	0.112	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-69.7	-14.2	179	-52.7	-40.5	0	0	0	111.6	R372 W373 I488 K492	R372-D375 PolarHBondContact N-OD2 2.67Å; R372-D375 IonicContact NE-OD2 2.64Å; R372-D375 IonicContact NH2-OD1 2.82Å; R372-D375 WeakPolarHBondContact O-CB 3.39Å; R372-D375 PolarHBondContact O-N 2.99Å; R372-D375 VanDerWaalsContact O-N 3.17Å; W373-D375 PolarHBondContact O-N 3.42Å; D375-I488 HydrophobicContact CB-CG2 4.1Å; D375-K492 WeakPolarHBondContact O-CE 3.28Å
376	L	64.8	Low	68.1	Low	13 Å²	13	71.8 Å²	71.8	7%	0.068	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-112.5	1.6	-179.6	-62.6	166.4	0	0	0	113	W373 E374 V378 P398 F399 I488 A491	W373-L376 PolarHBondContact O-N 3.33Å; E374-L376 PolarHBondContact O-N 3.36Å; L376-V378 HydrophobicContact CB-CB 4.44Å; L376-V378 HydrophobicContact CB-CG2 3.86Å; L376-V378 PolarHBondContact O-N 3.27Å; L376-V378 VanDerWaalsContact O-N 3.16Å; L376-P398 HydrophobicContact CD1-CB 3.52Å; L376-P398 HydrophobicContact CD1-CG 3.5Å; L376-P398 VanDerWaalsContact CD1-CG 3.5Å; L376-F399 HydrophobicContact CD1-CD2 4.43Å; L376-F399 HydrophobicContact CD2-CD2 4.31Å; L376-F399 HydrophobicContact CD2-CE2 3.98Å; L376-I488 HydrophobicContact CD2-CG2 3.97Å; L376-A491 HydrophobicContact CD2-CB 3.61Å
377	N	59.7	Low	65.8	Low	124 Å²	124	82.8 Å²	82.8	66%	0.663	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	28.2	-171.1	-71.6	-17.1	0	0	0	113.5	W373 E374 M497	W373-N377 PolarHBondContact O-N 3.27Å; E374-N377 PolarHBondContact O-N 3.16Å; N377-M497 HydrophobicContact CB-CE 3.61Å; N377-M497 WeakPolarHBondContact O-CE 3.15Å
378	V	56.5	Low	63.4	Low	24 Å²	24	92.1 Å²	92.1	15%	0.145	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-89.2	119.3	180	167.2	0	0	0	0	109.8	W373 L376 A505	W373-V378 HydrophobicContact CE3-CB 4.1Å; W373-V378 HydrophobicContact CE3-CG1 3.69Å; W373-V378 HydrophobicContact CZ3-CG1 3.78Å; W373-V378 PolarHBondContact O-N 2.99Å; L376-V378 HydrophobicContact CB-CB 4.44Å; L376-V378 HydrophobicContact CB-CG2 3.86Å; L376-V378 PolarHBondContact O-N 3.27Å; L376-V378 VanDerWaalsContact O-N 3.16Å; V378-A505 HydrophobicContact CB-CB 4.1Å; V378-A505 HydrophobicContact CG1-CB 3.23Å; V378-A505 HydrophobicContact CG2-CB 3.69Å
379	T	54.2	Low	61.4	Low	113 Å²	113	96.4 Å²	96.4	69%	0.693	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-90	134.1	167	10.2	0	0	0	0	110.2	I381	T379-I381 PolarHBondContact O-N 3.47Å
380	R	52.4	Low	59.9	Low	128 Å²	128	104 Å²	104	48%	0.483	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-70.3	116.3	167	-87.4	-169.1	-176.8	-167.4	-3.3	108.8	D396	R380-D396 IonicContact NH2-OD2 3.14Å; R380-D396 PolarHBondContact NH2-OD2 2.92Å
381	I	48.6	Very low	58.7	Low	107 Å²	107	107.6 Å²	107.6	55%	0.549	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-91.5	116.3	161.1	-54.4	178.9	0	0	0	106.4	T379 Q383	T379-I381 PolarHBondContact O-N 3.47Å; I381-Q383 VanDerWaalsContact C-N 3.29Å; I381-Q383 HydrophobicContact CB-CG 4.42Å; I381-Q383 HydrophobicContact CG2-CG 4.09Å; I381-Q383 PolarHBondContact O-N 3.4Å
382	N	47.1	Very low	58.2	Low	143 Å²	143	110.7 Å²	110.7	77%	0.765	55%	0.549	S	S	*	.			trans	-67.1	92	167.3	-83.8	-19.7	0	0	0	107.7	N384	N382-N384 PolarHBondContact O-N 2.99Å; N382-N384 VanDerWaalsContact O-N 3.11Å
383	Q	47.8	Very low	58.3	Low	131 Å²	131	109.5 Å²	109.5	61%	0.612	55%	0.553	S	S	*	*	S	Bend	trans	-69	-8.7	-172.1	-81.4	-170.3	4.4	0	0	115	I381	I381-Q383 VanDerWaalsContact C-N 3.29Å; I381-Q383 HydrophobicContact CB-CG 4.42Å; I381-Q383 HydrophobicContact CG2-CG 4.09Å; I381-Q383 PolarHBondContact O-N 3.4Å
384	N	44.2	Very low	58.9	Low	134 Å²	134	108.3 Å²	108.3	72%	0.717	55%	0.55	S	S	*	*	S	Bend	trans	-149.4	17.1	-173.7	-85	-39.2	0	0	0	117.8	N382 N386	N382-N384 PolarHBondContact O-N 2.99Å; N382-N384 VanDerWaalsContact O-N 3.11Å; N384-N386 VanDerWaalsContact O-CB 3.31Å; N384-N386 WeakPolarHBondContact O-CB 3.25Å; N384-N386 PolarHBondContact O-N 2.83Å
385	G	44.7	Very low	59.7	Low	78 Å²	78	103 Å²	103	80%	0.804	53%	0.525	S	S	*	.	S	Bend	trans	57.2	3.7	176.7	0	0	0	0	0	116.1
386	N	41.8	Very low	60.5	Low	144 Å²	144	102.7 Å²	102.7	77%	0.77	52%	0.523	S	S	*	.			trans	-116.5	119.2	-165.2	-87.9	-26.4	0	0	0	109.6	N384	N384-N386 VanDerWaalsContact O-CB 3.31Å; N384-N386 WeakPolarHBondContact O-CB 3.25Å; N384-N386 PolarHBondContact O-N 2.83Å
387	R	45.9	Very low	61.6	Low	234 Å²	234	103.1 Å²	103.1	88%	0.883	53%	0.525	S	S	*	.			trans	48.4	108.1	173.8	-76.4	178.9	172.5	167.5	-1.7	114.5	V389	R387-V389 VanDerWaalsContact C-N 3.26Å; R387-V389 PolarHBondContact O-N 3.09Å
388	Q	45.1	Very low	63	Low	197 Å²	197	97.3 Å²	97.3	92%	0.921	50%	0.495	S	S	*	.			trans	-49.2	94.6	157.1	-76	176.8	-8	0	0	108.9	R390	Q388-R390 PolarHBondContact O-N 2.86Å; Q388-R390 VanDerWaalsContact O-N 3.12Å
389	V	54.9	Low	64.7	Low	102 Å²	102	97.7 Å²	97.7	62%	0.618	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-62.1	117.3	162.5	179.5	0	0	0	0	104.1	R387 P391	R387-V389 VanDerWaalsContact C-N 3.26Å; R387-V389 PolarHBondContact O-N 3.09Å; V389-P391 VanDerWaalsContact O-N 3.12Å
390	R	62.2	Low	66.6	Low	219 Å²	219	92.5 Å²	92.5	83%	0.826	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-48.7	124.9	177.8	-71.6	-174.9	-178.6	-149.7	0.8	107.3	Q388 R392	Q388-R390 PolarHBondContact O-N 2.86Å; Q388-R390 VanDerWaalsContact O-N 3.12Å; R390-R392 WeakPolarHBondContact O-CG 3.26Å; R390-R392 PolarHBondContact O-N 3.17Å
391	P	68.4	Low	68.5	Low	88 Å²	88	87.6 Å²	87.6	57%	0.571	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-60.4	138.4	-176.3	24.1	-32.4	0	0	0	109.1	V389 P393	V389-P391 VanDerWaalsContact O-N 3.12Å; P391-P393 WeakPolarHBondContact O-CD 3.44Å
392	R	82.4	Confident	70.7	Confident	68 Å²	68	86.2 Å²	86.2	26%	0.257	44%	0.436	S	S	.	.			trans	-117.9	81.4	178.4	-59.2	167.2	-60.1	169.2	8.8	107.4	R390 L394 Y395 D396 E514	R390-R392 WeakPolarHBondContact O-CG 3.26Å; R390-R392 PolarHBondContact O-N 3.17Å; R392-L394 PolarHBondContact O-N 3.29Å; R392-L394 VanDerWaalsContact O-N 3.07Å; R392-Y395 HydrophobicContact CB-CD2 4.3Å; R392-Y395 PolarHBondContact O-N 3.1Å; R392-D396 IonicContact CZ-OD1 3.16Å; R392-D396 PolarHBondContact N-OD2 3.42Å; R392-D396 IonicContact NE-OD1 3.17Å; R392-D396 PolarHBondContact NE-OD1 3.32Å; R392-D396 IonicContact NH2-OD1 3.5Å; R392-D396 PolarHBondContact NH2-OD1 3.11Å; R392-D396 VanDerWaalsContact NH2-OD1 3.11Å; R392-D396 WeakPolarHBondContact O-CB 3.46Å; R392-D396 VanDerWaalsContact O-CG 3.29Å; R392-D396 PolarHBondContact O-N 2.81Å; R392-E514 WeakPolarHBondContact CD-OE1 3.27Å; R392-E514 IonicContact CZ-OE1 2.62Å; R392-E514 IonicContact NE-OE1 2.78Å; R392-E514 IonicContact NH1-OE1 3.2Å; R392-E514 PolarHBondContact NH1-OE1 3.31Å
393	P	86.5	Confident	73	Confident	63 Å²	63	79.4 Å²	79.4	41%	0.409	40%	0.399	S	S	.	.	H	α-helix	trans	-49.1	-45.5	-168.6	-30.6	35.9	0	0	0	113.2	P391 Y395 I397 L400	P391-P393 WeakPolarHBondContact O-CD 3.44Å; P393-Y395 VanDerWaalsContact C-N 3.27Å; P393-Y395 PolarHBondContact O-N 3.48Å; P393-I397 HydrophobicContact CB-CD1 3.95Å; P393-I397 VanDerWaalsContact O-CB 3.29Å; P393-I397 WeakPolarHBondContact O-CB 3.33Å; P393-I397 WeakPolarHBondContact O-CG1 3.47Å; P393-I397 PolarHBondContact O-N 2.82Å; P393-L400 HydrophobicContact CB-CD2 4.41Å; P393-L400 WeakPolarHBondContact O-CD2 3.25Å
394	L	90.1	Very high	75.3	Confident	24 Å²	24	73.3 Å²	73.3	13%	0.126	37%	0.371	C	S	.	.	H	α-helix	trans	-54.7	-38.5	-177.9	-177.6	61.3	0	0	0	113.9	R392 L400 F401 R404	R392-L394 PolarHBondContact O-N 3.29Å; R392-L394 VanDerWaalsContact O-N 3.07Å; L394-L400 HydrophobicContact CD1-CG 4.47Å; L394-F401 HydrophobicContact CD1-CD2 4.41Å; L394-F401 HydrophobicContact CG-CD2 4.29Å; L394-F401 WeakPolarHBondContact O-CB 3.26Å; L394-F401 PolarHBondContact O-N 3.2Å; L394-R404 HydrophobicContact CD1-CB 3.63Å; L394-R404 HydrophobicContact CD1-CG 3.81Å
395	Y	89.2	Confident	77.8	Confident	9 Å²	9	68 Å²	68	4%	0.035	34%	0.342	C	S	.	.	H	α-helix	trans	-102.3	-31.2	-174.3	-55.9	-57.3	0	0	0	112.9	R392 P393 F401 M510 V512 E540 L558	R392-Y395 HydrophobicContact CB-CD2 4.3Å; R392-Y395 PolarHBondContact O-N 3.1Å; P393-Y395 VanDerWaalsContact C-N 3.27Å; P393-Y395 PolarHBondContact O-N 3.48Å; Y395-F401 HydrophobicContact CD1-CD2 4.05Å; Y395-F401 AromaticContact CE1-CD2 3.73Å; Y395-F401 HydrophobicContact CE1-CD2 3.73Å; Y395-F401 AromaticContact CE1-CE2 3.96Å; Y395-F401 HydrophobicContact CE1-CE2 3.96Å; Y395-M510 HydrophobicContact CD1-CE 3.28Å; Y395-M510 HydrophobicContact CE1-CE 3.64Å; Y395-M510 HydrophobicContact CG-CE 4.42Å; Y395-M510 PolarHBondContact O-N 2.84Å; Y395-V512 HydrophobicContact CD1-CG2 3.73Å; Y395-V512 HydrophobicContact CE1-CG2 4.1Å; Y395-V512 HydrophobicContact CG-CB 4.48Å; Y395-V512 HydrophobicContact CG-CG2 4.11Å; Y395-E540 PolarHBondContact OH-OE2 3.34Å; Y395-L558 HydrophobicContact CD2-CD1 4.33Å; Y395-L558 HydrophobicContact CE2-CD1 3.57Å
396	D	84.6	Confident	80.3	Confident	14 Å²	14	66.1 Å²	66.1	8%	0.075	31%	0.311	C	S	.	.	H	α-helix	trans	-82.2	-31.2	-177.5	-59.9	-14.6	0	0	0	111.4	W373 R380 R392 P398 I509	W373-D396 HydrophobicContact CH2-CB 4.42Å; W373-D396 WeakPolarHBondContact CH2-O 3.38Å; W373-D396 HydrophobicContact CZ2-CB 3.9Å; W373-D396 WeakPolarHBondContact CZ2-O 3.37Å; R380-D396 IonicContact NH2-OD2 3.14Å; R380-D396 PolarHBondContact NH2-OD2 2.92Å; R392-D396 IonicContact CZ-OD1 3.16Å; R392-D396 PolarHBondContact N-OD2 3.42Å; R392-D396 IonicContact NE-OD1 3.17Å; R392-D396 PolarHBondContact NE-OD1 3.32Å; R392-D396 IonicContact NH2-OD1 3.5Å; R392-D396 PolarHBondContact NH2-OD1 3.11Å; R392-D396 VanDerWaalsContact NH2-OD1 3.11Å; R392-D396 WeakPolarHBondContact O-CB 3.46Å; R392-D396 VanDerWaalsContact O-CG 3.29Å; R392-D396 PolarHBondContact O-N 2.81Å; D396-P398 WeakPolarHBondContact O-CD 3.41Å; D396-I509 WeakPolarHBondContact O-CG1 3.5Å
397	I	87.8	Confident	82.9	Confident	22 Å²	22	59.3 Å²	59.3	11%	0.113	28%	0.275	C	S	.	.	S	Bend	trans	-84.8	120	178.9	-60.9	172.7	0	0	0	109.3	P371 W373 P393 L400	P371-I397 HydrophobicContact CB-CG2 4.2Å; P371-I397 WeakPolarHBondContact O-CG2 3.42Å; W373-I397 HydrophobicContact CZ2-CG1 4.31Å; P393-I397 HydrophobicContact CB-CD1 3.95Å; P393-I397 VanDerWaalsContact O-CB 3.29Å; P393-I397 WeakPolarHBondContact O-CB 3.33Å; P393-I397 WeakPolarHBondContact O-CG1 3.47Å; P393-I397 PolarHBondContact O-N 2.82Å; I397-L400 HydrophobicContact CB-CB 3.98Å; I397-L400 HydrophobicContact CB-CD2 4.03Å; I397-L400 HydrophobicContact CD1-CD2 3.94Å; I397-L400 HydrophobicContact CG1-CD2 4.47Å; I397-L400 HydrophobicContact CG2-CB 4.08Å; I397-L400 HydrophobicContact CG2-CD2 4.46Å; I397-L400 WeakPolarHBondContact O-CB 3.45Å; I397-L400 PolarHBondContact O-N 3.23Å
398	P	88.9	Confident	85.3	Confident	2 Å²	2	49 Å²	49	1%	0.013	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	145.8	-179.4	-21.8	32.7	0	0	0	112.7	P371 L376 D396 L400 L508 I509	P371-P398 WeakPolarHBondContact CB-O 3.45Å; L376-P398 HydrophobicContact CD1-CB 3.52Å; L376-P398 HydrophobicContact CD1-CG 3.5Å; L376-P398 VanDerWaalsContact CD1-CG 3.5Å; D396-P398 WeakPolarHBondContact O-CD 3.41Å; P398-L400 PolarHBondContact O-N 3.01Å; P398-L508 HydrophobicContact CB-CB 3.83Å; P398-L508 HydrophobicContact CG-CB 3.95Å; P398-I509 HydrophobicContact CG-CG1 4.31Å
399	F	92	Very high	87.7	Confident	32 Å²	32	45.7 Å²	45.7	14%	0.14	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	-12.4	-176	-51.1	-75	0	0	0	115.8	P371 L376 Q402 A403 L454 G487 I488 A491 L508	P371-F399 HydrophobicContact CB-CB 4.4Å; P371-F399 HydrophobicContact CG-CB 4.12Å; L376-F399 HydrophobicContact CD1-CD2 4.43Å; L376-F399 HydrophobicContact CD2-CD2 4.31Å; L376-F399 HydrophobicContact CD2-CE2 3.98Å; F399-Q402 VanDerWaalsContact C-OE1 3.27Å; F399-Q402 PolarHBondContact O-N 3.35Å; F399-Q402 PolarHBondContact O-OE1 3.09Å; F399-A403 WeakPolarHBondContact O-CB 3.43Å; F399-A403 PolarHBondContact O-N 3.37Å; F399-L454 HydrophobicContact CB-CD2 4.48Å; F399-G487 WeakPolarHBondContact CZ-O 3.42Å; F399-I488 HydrophobicContact CB-CG1 4.09Å; F399-I488 HydrophobicContact CD2-CB 4.45Å; F399-I488 HydrophobicContact CD2-CG1 3.8Å; F399-I488 HydrophobicContact CG-CG1 4.1Å; F399-A491 HydrophobicContact CE2-CB 3.71Å; F399-A491 HydrophobicContact CZ-CB 3.93Å; F399-L508 HydrophobicContact CZ-CD2 4.28Å
400	L	93.6	Very high	89.7	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-69.1	-40.7	-178.2	-175.4	57.4	0	0	0	112.4	L347 P371 P393 L394 I397 P398 Q402 A403 R404	L347-L400 HydrophobicContact CD2-CD2 4.39Å; P371-L400 HydrophobicContact CB-CB 4.42Å; P371-L400 HydrophobicContact CG-CB 4.38Å; P371-L400 HydrophobicContact CG-CD1 4.44Å; P393-L400 HydrophobicContact CB-CD2 4.41Å; P393-L400 WeakPolarHBondContact O-CD2 3.25Å; L394-L400 HydrophobicContact CD1-CG 4.47Å; I397-L400 HydrophobicContact CB-CB 3.98Å; I397-L400 HydrophobicContact CB-CD2 4.03Å; I397-L400 HydrophobicContact CD1-CD2 3.94Å; I397-L400 HydrophobicContact CG1-CD2 4.47Å; I397-L400 HydrophobicContact CG2-CB 4.08Å; I397-L400 HydrophobicContact CG2-CD2 4.46Å; I397-L400 WeakPolarHBondContact O-CB 3.45Å; I397-L400 PolarHBondContact O-N 3.23Å; P398-L400 PolarHBondContact O-N 3.01Å; L400-Q402 VanDerWaalsContact C-N 3.34Å; L400-Q402 PolarHBondContact O-N 2.98Å; L400-A403 PolarHBondContact O-N 3.35Å; L400-R404 WeakPolarHBondContact O-CB 3.47Å; L400-R404 PolarHBondContact O-N 3.39Å
401	F	93.3	Very high	91.4	Very high	25 Å²	25	32.8 Å²	32.8	11%	0.11	16%	0.162	C	C	.	.	H	α-helix	trans	-58.8	-46.9	172.7	177.8	-101.1	0	0	0	111.5	L394 Y395 A403 R404 E405 M510 Y551	L394-F401 HydrophobicContact CD1-CD2 4.41Å; L394-F401 HydrophobicContact CG-CD2 4.29Å; L394-F401 WeakPolarHBondContact O-CB 3.26Å; L394-F401 PolarHBondContact O-N 3.2Å; Y395-F401 HydrophobicContact CD1-CD2 4.05Å; Y395-F401 AromaticContact CE1-CD2 3.73Å; Y395-F401 HydrophobicContact CE1-CD2 3.73Å; Y395-F401 AromaticContact CE1-CE2 3.96Å; Y395-F401 HydrophobicContact CE1-CE2 3.96Å; F401-A403 VanDerWaalsContact C-N 3.32Å; F401-A403 PolarHBondContact O-N 3.44Å; F401-R404 PolarHBondContact O-N 3.23Å; F401-E405 HydrophobicContact CD1-CG 4.13Å; F401-E405 HydrophobicContact CD2-CG 4.31Å; F401-E405 HydrophobicContact CE1-CG 3.59Å; F401-E405 HydrophobicContact CE2-CG 3.8Å; F401-E405 HydrophobicContact CG-CG 4.46Å; F401-E405 HydrophobicContact CZ-CG 3.4Å; F401-E405 VanDerWaalsContact CZ-CG 3.4Å; F401-E405 WeakPolarHBondContact O-CB 3.5Å; F401-E405 PolarHBondContact O-N 2.82Å; F401-M510 HydrophobicContact CB-CE 4.07Å; F401-M510 HydrophobicContact CB-SD 4.29Å; F401-M510 HydrophobicContact CD1-CE 3.68Å; F401-M510 HydrophobicContact CD1-SD 3.38Å; F401-M510 WeakPolarHBondContact CD1-SD 3.36Å; F401-M510 HydrophobicContact CD2-CE 3.5Å; F401-M510 HydrophobicContact CD2-SD 4.34Å; F401-M510 HydrophobicContact CE1-CE 3.93Å; F401-M510 HydrophobicContact CE1-SD 3.68Å; F401-M510 HydrophobicContact CE2-CE 3.76Å; F401-M510 HydrophobicContact CG-CE 3.45Å; F401-M510 VanDerWaalsContact CG-CE 3.45Å; F401-M510 HydrophobicContact CG-SD 3.74Å; F401-M510 HydrophobicContact CZ-CE 3.97Å; F401-M510 HydrophobicContact CZ-SD 4.28Å; F401-Y551 HydrophobicContact CE1-CE1 4.45Å; F401-Y551 HydrophobicContact CE2-CD1 4.26Å; F401-Y551 AromaticContact CE2-CE1 3.98Å; F401-Y551 HydrophobicContact CE2-CE1 3.98Å; F401-Y551 HydrophobicContact CZ-CD1 4.12Å; F401-Y551 AromaticContact CZ-CE1 3.51Å; F401-Y551 HydrophobicContact CZ-CE1 3.51Å
402	Q	94	Very high	92.7	Very high	78 Å²	78	29.6 Å²	29.6	36%	0.364	14%	0.141	S	C	.	.	H	α-helix	trans	-63.1	-38.9	179.1	-64.1	86.1	-19.4	0	0	111.5	F399 L400 F406 L454	F399-Q402 VanDerWaalsContact C-OE1 3.27Å; F399-Q402 PolarHBondContact O-N 3.35Å; F399-Q402 PolarHBondContact O-OE1 3.09Å; L400-Q402 VanDerWaalsContact C-N 3.34Å; L400-Q402 PolarHBondContact O-N 2.98Å; Q402-F406 VanDerWaalsContact O-CB 3.23Å; Q402-F406 WeakPolarHBondContact O-CB 3.42Å; Q402-F406 PolarHBondContact O-N 3.46Å; Q402-L454 HydrophobicContact CB-CD2 3.69Å
403	A	96.7	Very high	93.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.6	-49.6	173.9	0	0	0	0	0	111.7	P371 F399 L400 F401 E405 F406 L407 L449 L454	P371-A403 HydrophobicContact CG-CB 4.39Å; F399-A403 WeakPolarHBondContact O-CB 3.43Å; F399-A403 PolarHBondContact O-N 3.37Å; L400-A403 PolarHBondContact O-N 3.35Å; F401-A403 VanDerWaalsContact C-N 3.32Å; F401-A403 PolarHBondContact O-N 3.44Å; A403-E405 PolarHBondContact O-N 3.09Å; A403-F406 PolarHBondContact O-N 2.95Å; A403-L407 PolarHBondContact O-N 2.69Å; A403-L449 HydrophobicContact CB-CD2 4.11Å; A403-L454 HydrophobicContact CB-CB 4Å; A403-L454 WeakPolarHBondContact CB-O 3.12Å
404	R	96	Very high	93.7	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.011	15%	0.149	C	C	.	.	H	α-helix	trans	-59.7	-45.2	176.6	176.9	-82.3	-166.6	-92.3	19.2	111.2	I345 L347 L394 L400 F401 L407 R408 E540 Q601	I345-R404 HydrophobicContact CG2-CG 4.1Å; L347-R404 WeakPolarHBondContact O-CB 3.31Å; L394-R404 HydrophobicContact CD1-CB 3.63Å; L394-R404 HydrophobicContact CD1-CG 3.81Å; L400-R404 WeakPolarHBondContact O-CB 3.47Å; L400-R404 PolarHBondContact O-N 3.39Å; F401-R404 PolarHBondContact O-N 3.23Å; R404-L407 PolarHBondContact O-N 3.04Å; R404-R408 VanDerWaalsContact NH1-CB 3.29Å; R404-R408 VanDerWaalsContact NH1-CG 3.25Å; R404-R408 WeakPolarHBondContact O-CB 3.48Å; R404-R408 PolarHBondContact O-N 3.17Å; R404-E540 IonicContact CZ-OE1 2.83Å; R404-E540 IonicContact NE-OE1 2.83Å; R404-E540 IonicContact NH2-OE1 4Å; R404-E540 PolarHBondContact NH2-OE1 3.43Å; R404-Q601 VanDerWaalsContact CZ-CD 3.43Å
405	E	95.2	Very high	94	Very high	23 Å²	23	33.4 Å²	33.4	11%	0.107	17%	0.168	C	C	.	.	H	α-helix	trans	-67.8	-39.3	-179.6	-81.6	-56.3	98.3	0	0	112.1	F401 A403 L407 R408 H409	F401-E405 HydrophobicContact CD1-CG 4.13Å; F401-E405 HydrophobicContact CD2-CG 4.31Å; F401-E405 HydrophobicContact CE1-CG 3.59Å; F401-E405 HydrophobicContact CE2-CG 3.8Å; F401-E405 HydrophobicContact CG-CG 4.46Å; F401-E405 HydrophobicContact CZ-CG 3.4Å; F401-E405 VanDerWaalsContact CZ-CG 3.4Å; F401-E405 WeakPolarHBondContact O-CB 3.5Å; F401-E405 PolarHBondContact O-N 2.82Å; A403-E405 PolarHBondContact O-N 3.09Å; E405-L407 VanDerWaalsContact C-N 3.33Å; E405-L407 PolarHBondContact O-N 2.8Å; E405-R408 WeakPolarHBondContact O-CB 3.12Å; E405-R408 PolarHBondContact O-N 2.75Å; E405-R408 WeakPolarHBondContact OE1-CD 3.13Å; E405-R408 IonicContact OE1-CZ 3.85Å; E405-R408 IonicContact OE1-NE 2.73Å; E405-R408 PolarHBondContact OE1-NE 2.85Å; E405-R408 IonicContact OE2-CZ 2.81Å; E405-R408 VanDerWaalsContact OE2-CZ 3.31Å; E405-R408 IonicContact OE2-NE 2.69Å; E405-R408 PolarHBondContact OE2-NE 3.4Å; E405-R408 IonicContact OE2-NH2 3.78Å; E405-R408 PolarHBondContact OE2-NH2 2.99Å; E405-H409 WeakPolarHBondContact O-CB 3.4Å; E405-H409 PolarHBondContact O-CD2 3.26Å; E405-H409 VanDerWaalsContact O-CD2 3.28Å; E405-H409 PolarHBondContact O-N 2.95Å; E405-H409 IonicContact OE2-CD2 3.09Å; E405-H409 IonicContact OE2-NE2 2.75Å
406	F	97.1	Very high	94.4	Very high	38 Å²	38	33 Å²	33	17%	0.167	17%	0.166	C	C	.	.	H	α-helix	trans	-57.8	-47.6	173.7	173.9	-103	0	0	0	111.4	Q402 A403 K410 M448 L449 K452 L454	Q402-F406 VanDerWaalsContact O-CB 3.23Å; Q402-F406 WeakPolarHBondContact O-CB 3.42Å; Q402-F406 PolarHBondContact O-N 3.46Å; A403-F406 PolarHBondContact O-N 2.95Å; F406-K410 HydrophobicContact CE2-CD 4.35Å; F406-K410 HydrophobicContact CZ-CD 4.03Å; F406-K410 VanDerWaalsContact O-CB 3.31Å; F406-K410 WeakPolarHBondContact O-CB 3.41Å; F406-K410 PolarHBondContact O-N 3.29Å; F406-M448 HydrophobicContact CE1-CB 4.09Å; F406-M448 HydrophobicContact CZ-CB 3.95Å; F406-M448 HydrophobicContact CZ-CE 3.89Å; F406-L449 HydrophobicContact CD1-CD2 3.57Å; F406-L449 HydrophobicContact CD1-CG 3.99Å; F406-L449 HydrophobicContact CE1-CD2 4.19Å; F406-L449 HydrophobicContact CE1-CG 4.14Å; F406-K452 HydrophobicContact CD2-CD 3.88Å; F406-K452 HydrophobicContact CE1-CD 4.47Å; F406-K452 HydrophobicContact CE2-CD 3.56Å; F406-K452 HydrophobicContact CG-CD 4.47Å; F406-K452 HydrophobicContact CZ-CD 3.86Å; F406-L454 HydrophobicContact CB-CD1 3.82Å; F406-L454 HydrophobicContact CD1-CD1 4.49Å; F406-L454 HydrophobicContact CG-CD1 4.08Å
407	L	97.8	Very high	95	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-64.8	-42	174.6	-69.5	-174.4	0	0	0	112	I345 G348 A403 R404 E405 K410 L411 V445 L449	I345-L407 HydrophobicContact CD1-CB 3.92Å; I345-L407 HydrophobicContact CG1-CB 3.91Å; I345-L407 HydrophobicContact CG2-CB 3.87Å; I345-L407 HydrophobicContact CG2-CD1 3.88Å; G348-L407 WeakPolarHBondContact O-CD1 3.44Å; A403-L407 PolarHBondContact O-N 2.69Å; R404-L407 PolarHBondContact O-N 3.04Å; E405-L407 VanDerWaalsContact C-N 3.33Å; E405-L407 PolarHBondContact O-N 2.8Å; L407-K410 PolarHBondContact O-N 2.7Å; L407-L411 HydrophobicContact CB-CD1 4.43Å; L407-L411 HydrophobicContact CD2-CD1 3.86Å; L407-L411 VanDerWaalsContact O-CB 3.23Å; L407-L411 WeakPolarHBondContact O-CB 3.4Å; L407-L411 WeakPolarHBondContact O-CG 3.29Å; L407-L411 PolarHBondContact O-N 2.89Å; L407-V445 HydrophobicContact CD2-CG1 3.38Å; L407-L449 HydrophobicContact CD1-CD1 4.01Å; L407-L449 HydrophobicContact CD2-CD1 3.7Å; L407-L449 HydrophobicContact CD2-CD2 4.34Å; L407-L449 HydrophobicContact CD2-CG 3.95Å; L407-L449 HydrophobicContact CG-CD1 3.99Å; L407-L449 HydrophobicContact CG-CD2 4.26Å; L407-L449 HydrophobicContact CG-CG 4.35Å
408	R	96.5	Very high	95.4	Very high	16 Å²	16	35.7 Å²	35.7	6%	0.06	18%	0.178	C	C	.	.	H	α-helix	trans	-57.8	-55.8	-178.9	-169	-171.4	67.6	80	-3.2	111.3	R404 E405 K410 L411 V412 Q601	R404-R408 VanDerWaalsContact NH1-CB 3.29Å; R404-R408 VanDerWaalsContact NH1-CG 3.25Å; R404-R408 WeakPolarHBondContact O-CB 3.48Å; R404-R408 PolarHBondContact O-N 3.17Å; E405-R408 WeakPolarHBondContact O-CB 3.12Å; E405-R408 PolarHBondContact O-N 2.75Å; E405-R408 WeakPolarHBondContact OE1-CD 3.13Å; E405-R408 IonicContact OE1-CZ 3.85Å; E405-R408 IonicContact OE1-NE 2.73Å; E405-R408 PolarHBondContact OE1-NE 2.85Å; E405-R408 IonicContact OE2-CZ 2.81Å; E405-R408 VanDerWaalsContact OE2-CZ 3.31Å; E405-R408 IonicContact OE2-NE 2.69Å; E405-R408 PolarHBondContact OE2-NE 3.4Å; E405-R408 IonicContact OE2-NH2 3.78Å; E405-R408 PolarHBondContact OE2-NH2 2.99Å; R408-K410 PolarHBondContact O-N 3.13Å; R408-L411 PolarHBondContact O-N 2.76Å; R408-V412 HydrophobicContact CB-CG2 4.43Å; R408-V412 HydrophobicContact CG-CB 4.4Å; R408-V412 HydrophobicContact CG-CG2 3.9Å; R408-V412 WeakPolarHBondContact O-CB 3.22Å; R408-V412 PolarHBondContact O-N 3.19Å; R408-Q601 WeakPolarHBondContact CD-O 3.3Å; R408-Q601 HydrophobicContact CG-CB 4.31Å; R408-Q601 WeakPolarHBondContact CG-O 3.23Å; R408-Q601 PolarHBondContact NH1-O 3.34Å
409	H	95.6	Very high	95.6	Very high	128 Å²	128	36.8 Å²	36.8	59%	0.593	18%	0.184	S	C	*	.	H	α-helix	trans	-59.5	-36.7	-179.9	-83.9	-73.1	0	0	0	111.9	E405	E405-H409 WeakPolarHBondContact O-CB 3.4Å; E405-H409 PolarHBondContact O-CD2 3.26Å; E405-H409 VanDerWaalsContact O-CD2 3.28Å; E405-H409 PolarHBondContact O-N 2.95Å; E405-H409 IonicContact OE2-CD2 3.09Å; E405-H409 IonicContact OE2-NE2 2.75Å
410	K	96	Very high	95.6	Very high	50 Å²	50	37.7 Å²	37.7	22%	0.217	19%	0.192	C	C	.	.	H	α-helix	trans	-83.1	-33.9	-175.3	-160.2	157.8	-161	-93.2	0	113.5	F406 L407 R408 I440 M448	F406-K410 HydrophobicContact CE2-CD 4.35Å; F406-K410 HydrophobicContact CZ-CD 4.03Å; F406-K410 VanDerWaalsContact O-CB 3.31Å; F406-K410 WeakPolarHBondContact O-CB 3.41Å; F406-K410 PolarHBondContact O-N 3.29Å; L407-K410 PolarHBondContact O-N 2.7Å; R408-K410 PolarHBondContact O-N 3.13Å; K410-I440 HydrophobicContact CG-CG2 4.47Å; K410-I440 VanDerWaalsContact O-CD1 3.32Å; K410-I440 WeakPolarHBondContact O-CD1 3.32Å; K410-M448 HydrophobicContact CD-CE 3.78Å; K410-M448 HydrophobicContact CD-SD 4.23Å; K410-M448 PolarHBondContact NZ-SD 2.72Å
411	L	97.5	Very high	95.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-117.4	-35	-164.3	-54.3	-175.6	0	0	0	114.6	V342 I345 M351 L407 R408 G413 K414 V416 I440 V445	V342-L411 HydrophobicContact CB-CB 4.2Å; V342-L411 WeakPolarHBondContact CB-O 3.3Å; V342-L411 HydrophobicContact CG1-CB 4.05Å; V342-L411 HydrophobicContact CG2-CB 4.16Å; I345-L411 HydrophobicContact CD1-CB 4.29Å; I345-L411 HydrophobicContact CD1-CD1 4.21Å; M351-L411 HydrophobicContact CE-CD1 3.78Å; M351-L411 HydrophobicContact SD-CD1 4.1Å; L407-L411 HydrophobicContact CB-CD1 4.43Å; L407-L411 HydrophobicContact CD2-CD1 3.86Å; L407-L411 VanDerWaalsContact O-CB 3.23Å; L407-L411 WeakPolarHBondContact O-CB 3.4Å; L407-L411 WeakPolarHBondContact O-CG 3.29Å; L407-L411 PolarHBondContact O-N 2.89Å; R408-L411 PolarHBondContact O-N 2.76Å; L411-G413 PolarHBondContact O-N 2.93Å; L411-K414 WeakPolarHBondContact O-CA 3.41Å; L411-K414 VanDerWaalsContact O-CB 3.3Å; L411-K414 WeakPolarHBondContact O-CB 2.89Å; L411-K414 PolarHBondContact O-N 3.25Å; L411-V416 HydrophobicContact CD2-CG1 4.06Å; L411-I440 HydrophobicContact CD2-CB 4.15Å; L411-I440 HydrophobicContact CD2-CD1 3.69Å; L411-I440 HydrophobicContact CD2-CG2 3.89Å; L411-V445 HydrophobicContact CD1-CG1 3.85Å; L411-V445 HydrophobicContact CD1-CG2 4.22Å; L411-V445 HydrophobicContact CD2-CG2 3.86Å
412	V	95.8	Very high	95.3	Very high	21 Å²	21	39.2 Å²	39.2	13%	0.127	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	126.6	-171.7	171.2	0	0	0	0	110.5	I345 R408 K414 K602	I345-V412 HydrophobicContact CG1-CG2 3.81Å; R408-V412 HydrophobicContact CB-CG2 4.43Å; R408-V412 HydrophobicContact CG-CB 4.4Å; R408-V412 HydrophobicContact CG-CG2 3.9Å; R408-V412 WeakPolarHBondContact O-CB 3.22Å; R408-V412 PolarHBondContact O-N 3.19Å; V412-K414 VanDerWaalsContact C-N 3.26Å; V412-K414 PolarHBondContact O-N 3.47Å; V412-K602 HydrophobicContact CG1-CG 4.33Å
413	G	93.2	Very high	95.1	Very high	31 Å²	31	38.5 Å²	38.5	32%	0.32	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	-0.3	-176.1	0	0	0	0	0	115	K341 V342 L411	K341-G413 WeakPolarHBondContact CE-O 3.44Å; V342-G413 PolarHBondContact O-N 3.25Å; L411-G413 PolarHBondContact O-N 2.93Å
414	K	96.8	Very high	94.6	Very high	119 Å²	119	42 Å²	42	52%	0.517	22%	0.217	S	C	.	.			trans	-98.1	148.3	177.9	-53.9	-61.7	-178.1	178.7	0	111.1	K341 V342 L411 V412 I440	K341-K414 WeakPolarHBondContact CA-O 3.13Å; V342-K414 PolarHBondContact N-O 3.16Å; L411-K414 WeakPolarHBondContact O-CA 3.41Å; L411-K414 VanDerWaalsContact O-CB 3.3Å; L411-K414 WeakPolarHBondContact O-CB 2.89Å; L411-K414 PolarHBondContact O-N 3.25Å; V412-K414 VanDerWaalsContact C-N 3.26Å; V412-K414 PolarHBondContact O-N 3.47Å; K414-I440 HydrophobicContact CB-CD1 3.92Å; K414-I440 HydrophobicContact CG-CD1 4.32Å
415	T	97.4	Very high	94	Very high	85 Å²	85	46.1 Å²	46.1	52%	0.521	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	128.4	170.8	-55.2	0	0	0	0	109.2	Q339 A340	Q339-T415 HydrophobicContact CB-CG2 4.31Å; A340-T415 WeakPolarHBondContact O-CA 3.38Å
416	V	97.7	Very high	93.7	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	153.9	177.8	-59.5	0	0	0	0	109.9	Q339 A340 V342 L411 V438 I440	Q339-V416 WeakPolarHBondContact CA-O 3.43Å; A340-V416 PolarHBondContact N-O 3.43Å; A340-V416 VanDerWaalsContact N-O 3.16Å; A340-V416 PolarHBondContact O-N 3.49Å; V342-V416 HydrophobicContact CG2-CB 4.4Å; V342-V416 HydrophobicContact CG2-CG1 3.76Å; V342-V416 HydrophobicContact CG2-CG2 3.7Å; L411-V416 HydrophobicContact CD2-CG1 4.06Å; V416-V438 HydrophobicContact CB-CG1 3.91Å; V416-V438 HydrophobicContact CG1-CG1 4.3Å; V416-V438 HydrophobicContact CG2-CG1 3.85Å; V416-I440 HydrophobicContact CG1-CB 4.19Å; V416-I440 HydrophobicContact CG1-CD1 4.21Å; V416-I440 HydrophobicContact CG1-CG1 4.38Å
417	Q	96.6	Very high	92.9	Very high	88 Å²	88	50.4 Å²	50.4	41%	0.411	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	136.5	165.4	-74.8	173.8	0.3	0	0	108.4	V337 Y338 Q339 I439	V337-Q417 HydrophobicContact CG1-CB 4.17Å; V337-Q417 HydrophobicContact CG1-CG 4.34Å; Y338-Q417 CarbonylContact O-C 3.6Å; Y338-Q417 VanDerWaalsContact O-CA 3.28Å; Y338-Q417 WeakPolarHBondContact O-CA 3.42Å; Q339-Q417 HydrophobicContact CG-CG 3.86Å; Q417-I439 HydrophobicContact CB-CB 4.45Å; Q417-I439 PolarHBondContact N-O 2.62Å; Q417-I439 PolarHBondContact O-N 2.76Å
418	Y	95.1	Very high	92.2	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.016	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	148.2	174.6	71.2	-83.4	0	0	0	111.9	Y338 A340 V353 I363 C436 T437	Y338-Y418 VanDerWaalsContact CB-CE1 3.44Å; Y338-Y418 HydrophobicContact CD2-CD2 4.38Å; Y338-Y418 AromaticContact CD2-CE2 3.95Å; Y338-Y418 HydrophobicContact CD2-CE2 3.95Å; Y338-Y418 HydrophobicContact CG-CE1 4.48Å; Y338-Y418 HydrophobicContact CG-CE2 4.09Å; Y338-Y418 AromaticContact CG-CZ 3.96Å; Y338-Y418 PolarHBondContact N-O 3.05Å; Y338-Y418 PolarHBondContact O-N 3.33Å; A340-Y418 HydrophobicContact CB-CE1 3.72Å; V353-Y418 HydrophobicContact CG2-CE1 4.25Å; I363-Y418 HydrophobicContact CD1-CD1 4.41Å; I363-Y418 HydrophobicContact CD1-CD2 4.17Å; I363-Y418 HydrophobicContact CD1-CG 4.08Å; I363-Y418 HydrophobicContact CG2-CE2 4.36Å; Y418-C436 HydrophobicContact CD2-CB 4.13Å; Y418-T437 VanDerWaalsContact CA-O 3.22Å; Y418-T437 WeakPolarHBondContact CA-O 3.42Å
419	T	94.1	Very high	91.2	Very high	24 Å²	24	62.9 Å²	62.9	15%	0.147	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132.1	177.5	-54.2	0	0	0	0	107.9	P335 D421 C436 T437	P335-T419 HydrophobicContact CB-CG2 3.69Å; T419-D421 PolarHBondContact O-N 3.2Å; T419-C436 CarbonylContact O-C 3.58Å; T419-C436 WeakPolarHBondContact O-CA 3.47Å; T419-C436 VanDerWaalsContact O-CB 3.32Å; T419-C436 WeakPolarHBondContact O-CB 3.31Å; T419-T437 PolarHBondContact N-O 3.42Å; T419-T437 PolarHBondContact O-N 2.83Å
420	V	92.2	Very high	90.3	Very high	51 Å²	51	63.1 Å²	63.1	31%	0.309	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	114.7	174.9	-177.8	0	0	0	0	108.1	Y338 V423 V434	Y338-V420 HydrophobicContact CE2-CG2 4.18Å; V420-V423 HydrophobicContact CG1-CG2 4.17Å; V420-V434 HydrophobicContact CB-CG1 4.48Å; V420-V434 HydrophobicContact CG1-CG1 3.84Å; V420-V434 HydrophobicContact CG2-CG1 3.85Å
421	D	89.8	Confident	89.8	Confident	39 Å²	39	64.7 Å²	64.7	21%	0.209	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-43	176.3	-66.5	-71.5	0	0	0	110.7	S366 T419 C435 T437 S469	S366-D421 WeakPolarHBondContact CB-OD2 2.71Å; S366-D421 PolarHBondContact OG-OD2 3.17Å; T419-D421 PolarHBondContact O-N 3.2Å; D421-C435 PolarHBondContact N-O 3.26Å; D421-T437 PolarHBondContact OD1-OG1 3Å; D421-T437 WeakPolarHBondContact OD2-CB 3.49Å; D421-T437 PolarHBondContact OD2-N 2.94Å; D421-T437 PolarHBondContact OD2-OG1 3.22Å; D421-S469 WeakPolarHBondContact OD1-CB 3.39Å; D421-S469 PolarHBondContact OD1-N 2.92Å; D421-S469 PolarHBondContact OD1-OG 3.19Å
422	Y	89.2	Confident	89.4	Confident	23 Å²	23	70 Å²	70	9%	0.09	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	161	176.8	61.9	-82.8	0	0	0	111.1	Q424 C435 N466	Y422-Q424 HydrophobicContact CD2-CB 4.44Å; Y422-Q424 HydrophobicContact CE2-CB 4.25Å; Y422-C435 HydrophobicContact CD1-CB 3.92Å; Y422-C435 HydrophobicContact CD2-CB 3.91Å; Y422-C435 HydrophobicContact CE1-CB 3.58Å; Y422-C435 HydrophobicContact CE2-CB 3.61Å; Y422-C435 WeakPolarHBondContact CE2-SG 3.47Å; Y422-C435 HydrophobicContact CG-CB 4.07Å; Y422-C435 VanDerWaalsContact CZ-CB 3.43Å; Y422-C435 PolarHBondContact N-O 3.37Å; Y422-C435 WeakPolarHBondContact O-CB 3.19Å; Y422-C435 PolarHBondContact O-N 3.34Å; Y422-N466 HydrophobicContact CD1-CB 4.4Å; Y422-N466 WeakPolarHBondContact CD1-O 3.31Å; Y422-N466 HydrophobicContact CD2-CB 3.67Å; Y422-N466 VanDerWaalsContact CE1-C 3.48Å; Y422-N466 WeakPolarHBondContact CE1-O 3.43Å; Y422-N466 HydrophobicContact CE2-CB 4.18Å; Y422-N466 WeakPolarHBondContact CE2-O 2.95Å; Y422-N466 HydrophobicContact CG-CB 3.78Å
423	V	90	Very high	89.2	Confident	62 Å²	62	72.6 Å²	72.6	38%	0.376	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	115.2	170.2	-178.8	0	0	0	0	107.7	V420 P425 E432 R433 V434	V420-V423 HydrophobicContact CG1-CG2 4.17Å; V423-P425 WeakPolarHBondContact O-CD 3.22Å; V423-E432 VanDerWaalsContact CG1-CD 3.5Å; V423-E432 HydrophobicContact CG1-CG 3.43Å; V423-E432 VanDerWaalsContact CG1-CG 3.43Å; V423-R433 CarbonylContact C-O 3.59Å; V423-R433 WeakPolarHBondContact CA-O 3.39Å; V423-V434 HydrophobicContact CG2-CG1 4.5Å
424	Q	86.3	Confident	89.3	Confident	75 Å²	75	72 Å²	72	35%	0.35	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	116	172.6	-173.3	178.4	-9.2	0	0	107.9	Y422 E432 R433	Y422-Q424 HydrophobicContact CD2-CB 4.44Å; Y422-Q424 HydrophobicContact CE2-CB 4.25Å; Q424-E432 WeakPolarHBondContact O-CA 3.44Å; Q424-E432 WeakPolarHBondContact O-CG 3.29Å; Q424-R433 HydrophobicContact CB-CB 4.14Å; Q424-R433 PolarHBondContact N-O 2.84Å; Q424-R433 PolarHBondContact O-N 2.87Å
425	P	85	Confident	89.2	Confident	89 Å²	89	66.6 Å²	66.6	58%	0.578	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-64.1	153.7	-176.5	27.3	-34.8	0	0	0	110.9	V423 S427	V423-P425 WeakPolarHBondContact O-CD 3.22Å; P425-S427 PolarHBondContact O-N 3.01Å
426	A	87.1	Confident	89.1	Confident	69 Å²	69	62.5 Å²	62.5	57%	0.57	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-56.8	134	171.6	0	0	0	0	0	109.9	F430 E432	A426-F430 WeakPolarHBondContact CA-O 3.23Å; A426-E432 HydrophobicContact CB-CB 4.39Å
427	S	81.7	Confident	89	Confident	81 Å²	81	62.6 Å²	62.6	57%	0.566	36%	0.358	S	S	*	.	B	Isolated β-bridge	trans	-144.4	118.6	-177.1	-172.8	0	0	0	0	110.5	P425 Q429 F430	P425-S427 PolarHBondContact O-N 3.01Å; S427-Q429 PolarHBondContact O-N 3.37Å; S427-F430 PolarHBondContact N-O 2.86Å; S427-F430 WeakPolarHBondContact O-CB 3.42Å; S427-F430 PolarHBondContact O-N 3.06Å
428	G	82.1	Confident	89	Confident	87 Å²	87	58.4 Å²	58.4	90%	0.897	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	-118.7	-174.8	0	0	0	0	0	111.3
429	Q	75	Confident	89.1	Confident	192 Å²	192	60.2 Å²	60.2	90%	0.897	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-2.3	178.4	-63.1	-179.8	-1	0	0	113.6	S427	S427-Q429 PolarHBondContact O-N 3.37Å
430	F	78	Confident	89.3	Confident	134 Å²	134	59.5 Å²	59.5	59%	0.588	34%	0.343	S	S	*	.	B	Isolated β-bridge	trans	-91.8	125.1	-178.8	-60.6	-71.4	0	0	0	110.4	A426 S427	A426-F430 WeakPolarHBondContact CA-O 3.23Å; S427-F430 PolarHBondContact N-O 2.86Å; S427-F430 WeakPolarHBondContact O-CB 3.42Å; S427-F430 PolarHBondContact O-N 3.06Å
431	P	84.1	Confident	89.3	Confident	83 Å²	83	64.4 Å²	64.4	54%	0.539	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-68.6	162.6	177	30.8	-35.7	0	0	0	110.7
432	E	90.4	Very high	89.4	Confident	111 Å²	111	65.9 Å²	65.9	52%	0.519	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-53.1	140.4	170.3	-175.1	-179.2	90.7	0	0	110.9	V423 Q424 A426	V423-E432 VanDerWaalsContact CG1-CD 3.5Å; V423-E432 HydrophobicContact CG1-CG 3.43Å; V423-E432 VanDerWaalsContact CG1-CG 3.43Å; Q424-E432 WeakPolarHBondContact O-CA 3.44Å; Q424-E432 WeakPolarHBondContact O-CG 3.29Å; A426-E432 HydrophobicContact CB-CB 4.39Å
433	R	92.1	Very high	89.8	Confident	76 Å²	76	69.4 Å²	69.4	29%	0.287	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.4	178.1	-52.4	-175.7	-178.9	-172.1	-1.4	111.1	W364 V423 Q424 C435	W364-R433 HydrophobicContact CD2-CB 3.84Å; W364-R433 HydrophobicContact CD2-CG 4.11Å; W364-R433 HydrophobicContact CE3-CB 3.81Å; W364-R433 HydrophobicContact CE3-CG 4.41Å; W364-R433 HydrophobicContact CG-CB 4.3Å; W364-R433 HydrophobicContact CH2-CB 4.45Å; W364-R433 HydrophobicContact CH2-CG 4.36Å; W364-R433 HydrophobicContact CZ2-CB 4.48Å; W364-R433 HydrophobicContact CZ2-CG 4.06Å; W364-R433 HydrophobicContact CZ3-CB 4.15Å; V423-R433 CarbonylContact C-O 3.59Å; V423-R433 WeakPolarHBondContact CA-O 3.39Å; Q424-R433 HydrophobicContact CB-CB 4.14Å; Q424-R433 PolarHBondContact N-O 2.84Å; Q424-R433 PolarHBondContact O-N 2.87Å; R433-C435 PolarHBondContact O-N 3.37Å
434	V	93.8	Very high	90.1	Very high	19 Å²	19	67 Å²	67	12%	0.115	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	102.5	170.3	-172.5	0	0	0	0	108.4	W364 V420 V423	W364-V434 PolarHBondContact N-O 3Å; V420-V434 HydrophobicContact CB-CG1 4.48Å; V420-V434 HydrophobicContact CG1-CG1 3.84Å; V420-V434 HydrophobicContact CG2-CG1 3.85Å; V423-V434 HydrophobicContact CG2-CG1 4.5Å
435	C	94.8	Very high	90.7	Very high	4 Å²	4	63.5 Å²	63.5	3%	0.027	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.3	-174.7	-66	0	0	0	0	110.2	W364 D421 Y422 R433	W364-C435 CarbonylContact O-C 3.59Å; W364-C435 WeakPolarHBondContact O-CA 3.25Å; D421-C435 PolarHBondContact N-O 3.26Å; Y422-C435 HydrophobicContact CD1-CB 3.92Å; Y422-C435 HydrophobicContact CD2-CB 3.91Å; Y422-C435 HydrophobicContact CE1-CB 3.58Å; Y422-C435 HydrophobicContact CE2-CB 3.61Å; Y422-C435 WeakPolarHBondContact CE2-SG 3.47Å; Y422-C435 HydrophobicContact CG-CB 4.07Å; Y422-C435 VanDerWaalsContact CZ-CB 3.43Å; Y422-C435 PolarHBondContact N-O 3.37Å; Y422-C435 WeakPolarHBondContact O-CB 3.19Å; Y422-C435 PolarHBondContact O-N 3.34Å; R433-C435 PolarHBondContact O-N 3.37Å
436	C	95.1	Very high	91.3	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.9	-168.7	-56.7	0	0	0	0	112.6	W364 L365 S366 Y418 T419 V438	W364-C436 PolarHBondContact O-N 3.06Å; L365-C436 WeakPolarHBondContact CA-O 3.15Å; S366-C436 PolarHBondContact N-O 2.98Å; S366-C436 PolarHBondContact OG-O 2.88Å; Y418-C436 HydrophobicContact CD2-CB 4.13Å; T419-C436 CarbonylContact O-C 3.58Å; T419-C436 WeakPolarHBondContact O-CA 3.47Å; T419-C436 VanDerWaalsContact O-CB 3.32Å; T419-C436 WeakPolarHBondContact O-CB 3.31Å; C436-V438 HydrophobicContact CB-CG2 4.27Å
437	T	96.2	Very high	91.8	Very high	4 Å²	4	59.5 Å²	59.5	3%	0.025	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	122	160.4	-66.5	0	0	0	0	107.4	S366 Y418 T419 D421 I439 S468 Q470	S366-T437 PolarHBondContact OG-N 3.44Å; S366-T437 PolarHBondContact OG-OG1 3.34Å; Y418-T437 VanDerWaalsContact CA-O 3.22Å; Y418-T437 WeakPolarHBondContact CA-O 3.42Å; T419-T437 PolarHBondContact N-O 3.42Å; T419-T437 PolarHBondContact O-N 2.83Å; D421-T437 PolarHBondContact OD1-OG1 3Å; D421-T437 WeakPolarHBondContact OD2-CB 3.49Å; D421-T437 PolarHBondContact OD2-N 2.94Å; D421-T437 PolarHBondContact OD2-OG1 3.22Å; T437-I439 HydrophobicContact CG2-CG1 4.32Å; T437-S468 PolarHBondContact OG1-OG 3.28Å; T437-Q470 HydrophobicContact CG2-CG 4.37Å
438	V	97.2	Very high	92.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.7	-176.9	-177.3	0	0	0	0	109.4	M351 I363 L365 V416 C436 V445	M351-V438 HydrophobicContact CE-CG2 4.34Å; M351-V438 HydrophobicContact SD-CG1 4.31Å; M351-V438 HydrophobicContact SD-CG2 4.44Å; I363-V438 HydrophobicContact CD1-CG2 4.07Å; L365-V438 HydrophobicContact CD2-CB 3.83Å; L365-V438 HydrophobicContact CD2-CG2 3.68Å; V416-V438 HydrophobicContact CB-CG1 3.91Å; V416-V438 HydrophobicContact CG1-CG1 4.3Å; V416-V438 HydrophobicContact CG2-CG1 3.85Å; C436-V438 HydrophobicContact CB-CG2 4.27Å; V438-V445 HydrophobicContact CB-CB 4.25Å; V438-V445 HydrophobicContact CB-CG2 4.22Å; V438-V445 HydrophobicContact CG1-CB 4.42Å; V438-V445 HydrophobicContact CG1-CG2 3.89Å; V438-V445 WeakPolarHBondContact O-CB 3.38Å; V438-V445 WeakPolarHBondContact O-CG2 3.23Å; V438-V445 PolarHBondContact O-N 2.53Å
439	I	97.4	Very high	93.2	Very high	41 Å²	41	53.3 Å²	53.3	21%	0.21	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.1	-176.5	-60.6	179.4	0	0	0	109.7	Q417 T437 Q443	Q417-I439 HydrophobicContact CB-CB 4.45Å; Q417-I439 PolarHBondContact N-O 2.62Å; Q417-I439 PolarHBondContact O-N 2.76Å; T437-I439 HydrophobicContact CG2-CG1 4.32Å; I439-Q443 WeakPolarHBondContact CA-O 3.32Å
440	I	97.1	Very high	94.3	Very high	9 Å²	9	44.2 Å²	44.2	5%	0.046	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	124.9	170.5	-170.1	169.3	0	0	0	109.2	K410 L411 K414 V416 G442 Q443 V445	K410-I440 HydrophobicContact CG-CG2 4.47Å; K410-I440 VanDerWaalsContact O-CD1 3.32Å; K410-I440 WeakPolarHBondContact O-CD1 3.32Å; L411-I440 HydrophobicContact CD2-CB 4.15Å; L411-I440 HydrophobicContact CD2-CD1 3.69Å; L411-I440 HydrophobicContact CD2-CG2 3.89Å; K414-I440 HydrophobicContact CB-CD1 3.92Å; K414-I440 HydrophobicContact CG-CD1 4.32Å; V416-I440 HydrophobicContact CG1-CB 4.19Å; V416-I440 HydrophobicContact CG1-CD1 4.21Å; V416-I440 HydrophobicContact CG1-CG1 4.38Å; I440-G442 PolarHBondContact O-N 3.3Å; I440-Q443 PolarHBondContact N-O 2.85Å; I440-Q443 WeakPolarHBondContact O-CB 3.34Å; I440-Q443 PolarHBondContact O-N 3.38Å; I440-V445 HydrophobicContact CG2-CG2 3.93Å
441	N	93.5	Very high	95.2	Very high	155 Å²	155	39.4 Å²	39.4	83%	0.829	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	42.9	-177.1	-57	-19	0	0	0	112.9	Q443	N441-Q443 VanDerWaalsContact C-N 3.25Å; N441-Q443 PolarHBondContact O-N 3Å
442	G	92	Very high	95.8	Very high	70 Å²	70	40.5 Å²	40.5	72%	0.722	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.4	1.1	-178.6	0	0	0	0	0	115.8	I440	I440-G442 PolarHBondContact O-N 3.3Å
443	Q	96.1	Very high	96	Very high	96 Å²	96	35.2 Å²	35.2	45%	0.449	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.3	180	-59.6	-179.6	-32.4	0	0	111.8	I439 I440 N441 V445 M448	I439-Q443 WeakPolarHBondContact CA-O 3.32Å; I440-Q443 PolarHBondContact N-O 2.85Å; I440-Q443 WeakPolarHBondContact O-CB 3.34Å; I440-Q443 PolarHBondContact O-N 3.38Å; N441-Q443 VanDerWaalsContact C-N 3.25Å; N441-Q443 PolarHBondContact O-N 3Å; Q443-V445 PolarHBondContact O-N 3.3Å; Q443-M448 HydrophobicContact CB-SD 3.72Å; Q443-M448 PolarHBondContact OE1-SD 3.25Å
444	N	97.4	Very high	96.2	Very high	11 Å²	11	32.5 Å²	32.5	6%	0.059	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	118.3	173.2	179.9	-22	0	0	0	110.7	G446 E447 M448 Q470	N444-G446 PolarHBondContact O-N 3.46Å; N444-G446 WeakPolarHBondContact OD1-CA 3.41Å; N444-G446 PolarHBondContact OD1-N 3.34Å; N444-E447 HydrophobicContact CB-CB 3.84Å; N444-E447 PolarHBondContact O-N 2.97Å; N444-E447 PolarHBondContact OD1-N 3.33Å; N444-M448 VanDerWaalsContact O-CG 3.25Å; N444-M448 WeakPolarHBondContact O-CG 3.46Å; N444-M448 PolarHBondContact O-N 2.94Å; N444-M448 VanDerWaalsContact O-N 3.09Å; N444-Q470 PolarHBondContact ND2-OE1 3.45Å
445	V	97.9	Very high	96.3	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.018	18%	0.179	C	C	.	.	H	α-helix	trans	-61.3	-42.1	-179.1	172.6	0	0	0	0	112.4	L365 L407 L411 V438 I440 Q443 M448 L449	L365-V445 HydrophobicContact CD1-CG1 4.08Å; L365-V445 HydrophobicContact CD2-CB 4.22Å; L365-V445 HydrophobicContact CD2-CG1 4.04Å; L407-V445 HydrophobicContact CD2-CG1 3.38Å; L411-V445 HydrophobicContact CD1-CG1 3.85Å; L411-V445 HydrophobicContact CD1-CG2 4.22Å; L411-V445 HydrophobicContact CD2-CG2 3.86Å; V438-V445 HydrophobicContact CB-CB 4.25Å; V438-V445 HydrophobicContact CB-CG2 4.22Å; V438-V445 HydrophobicContact CG1-CB 4.42Å; V438-V445 HydrophobicContact CG1-CG2 3.89Å; V438-V445 WeakPolarHBondContact O-CB 3.38Å; V438-V445 WeakPolarHBondContact O-CG2 3.23Å; V438-V445 PolarHBondContact O-N 2.53Å; I440-V445 HydrophobicContact CG2-CG2 3.93Å; Q443-V445 PolarHBondContact O-N 3.3Å; V445-M448 PolarHBondContact O-N 3.27Å; V445-L449 PolarHBondContact O-N 3.01Å; V445-L449 VanDerWaalsContact O-N 3.1Å
446	G	97.4	Very high	96.3	Very high	1 Å²	1	32 Å²	32	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-64	-45	179.2	0	0	0	0	0	112.3	N444 M448 L449 I450	N444-G446 PolarHBondContact O-N 3.46Å; N444-G446 WeakPolarHBondContact OD1-CA 3.41Å; N444-G446 PolarHBondContact OD1-N 3.34Å; G446-M448 VanDerWaalsContact C-N 3.31Å; G446-M448 PolarHBondContact O-N 2.89Å; G446-L449 PolarHBondContact O-N 2.82Å; G446-I450 WeakPolarHBondContact O-CG1 3.38Å; G446-I450 PolarHBondContact O-N 3.09Å; G446-I450 VanDerWaalsContact O-N 3.11Å
447	E	97.3	Very high	96.3	Very high	72 Å²	72	32.1 Å²	32.1	34%	0.336	18%	0.182	S	C	.	.	H	α-helix	trans	-58.9	-43.7	175.1	-169.4	-168.4	152.8	0	0	111.2	N444 L449 I450 A451 L474 A477	N444-E447 HydrophobicContact CB-CB 3.84Å; N444-E447 PolarHBondContact O-N 2.97Å; N444-E447 PolarHBondContact OD1-N 3.33Å; E447-L449 PolarHBondContact O-N 3.16Å; E447-I450 PolarHBondContact O-N 2.89Å; E447-A451 VanDerWaalsContact O-CB 3.25Å; E447-A451 WeakPolarHBondContact O-CB 3.47Å; E447-A451 PolarHBondContact O-N 3.29Å; E447-L474 HydrophobicContact CB-CD2 3.98Å; E447-A477 HydrophobicContact CG-CB 3.78Å
448	M	97.7	Very high	96.2	Very high	39 Å²	39	35.3 Å²	35.3	19%	0.192	20%	0.196	C	C	.	.	H	α-helix	trans	-65.2	-39.1	179.7	-68.2	179	75.7	0	0	113.8	F406 K410 Q443 N444 V445 G446 K452	F406-M448 HydrophobicContact CE1-CB 4.09Å; F406-M448 HydrophobicContact CZ-CB 3.95Å; F406-M448 HydrophobicContact CZ-CE 3.89Å; K410-M448 HydrophobicContact CD-CE 3.78Å; K410-M448 HydrophobicContact CD-SD 4.23Å; K410-M448 PolarHBondContact NZ-SD 2.72Å; Q443-M448 HydrophobicContact CB-SD 3.72Å; Q443-M448 PolarHBondContact OE1-SD 3.25Å; N444-M448 VanDerWaalsContact O-CG 3.25Å; N444-M448 WeakPolarHBondContact O-CG 3.46Å; N444-M448 PolarHBondContact O-N 2.94Å; N444-M448 VanDerWaalsContact O-N 3.09Å; V445-M448 PolarHBondContact O-N 3.27Å; G446-M448 VanDerWaalsContact C-N 3.31Å; G446-M448 PolarHBondContact O-N 2.89Å; M448-K452 WeakPolarHBondContact O-CG 3.39Å; M448-K452 PolarHBondContact O-N 3.4Å
449	L	97.3	Very high	95.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.2	-48.3	174.6	-91.3	172.8	0	0	0	110.8	G348 L365 A403 F406 L407 V445 G446 E447 K452 G453 L454 A455	G348-L449 VanDerWaalsContact O-CD1 3.31Å; G348-L449 WeakPolarHBondContact O-CD1 3.44Å; L365-L449 HydrophobicContact CD1-CD1 3.55Å; A403-L449 HydrophobicContact CB-CD2 4.11Å; F406-L449 HydrophobicContact CD1-CD2 3.57Å; F406-L449 HydrophobicContact CD1-CG 3.99Å; F406-L449 HydrophobicContact CE1-CD2 4.19Å; F406-L449 HydrophobicContact CE1-CG 4.14Å; L407-L449 HydrophobicContact CD1-CD1 4.01Å; L407-L449 HydrophobicContact CD2-CD1 3.7Å; L407-L449 HydrophobicContact CD2-CD2 4.34Å; L407-L449 HydrophobicContact CD2-CG 3.95Å; L407-L449 HydrophobicContact CG-CD1 3.99Å; L407-L449 HydrophobicContact CG-CD2 4.26Å; L407-L449 HydrophobicContact CG-CG 4.35Å; V445-L449 PolarHBondContact O-N 3.01Å; V445-L449 VanDerWaalsContact O-N 3.1Å; G446-L449 PolarHBondContact O-N 2.82Å; E447-L449 PolarHBondContact O-N 3.16Å; L449-K452 PolarHBondContact O-N 3.2Å; L449-G453 PolarHBondContact O-N 2.99Å; L449-L454 HydrophobicContact CD2-CB 3.81Å; L449-L454 HydrophobicContact CD2-CD1 4.43Å; L449-L454 PolarHBondContact O-N 3.5Å; L449-A455 HydrophobicContact CB-CB 3.94Å
450	I	98	Very high	95.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.8	-45.5	-178.8	-70.3	164.9	0	0	0	110.6	V368 G446 E447 K452 G453 A455 V457 L474 A477 E478 A481	V368-I450 HydrophobicContact CG1-CD1 4.31Å; V368-I450 HydrophobicContact CG1-CG1 4.41Å; V368-I450 HydrophobicContact CG2-CD1 3.96Å; G446-I450 WeakPolarHBondContact O-CG1 3.38Å; G446-I450 PolarHBondContact O-N 3.09Å; G446-I450 VanDerWaalsContact O-N 3.11Å; E447-I450 PolarHBondContact O-N 2.89Å; I450-K452 PolarHBondContact O-N 2.87Å; I450-K452 VanDerWaalsContact O-N 3.09Å; I450-G453 WeakPolarHBondContact O-CA 3.42Å; I450-G453 PolarHBondContact O-N 3.46Å; I450-A455 HydrophobicContact CG1-CB 4.06Å; I450-V457 HydrophobicContact CD1-CG2 3.74Å; I450-V457 HydrophobicContact CG2-CG2 4.3Å; I450-L474 HydrophobicContact CD1-CB 3.99Å; I450-L474 HydrophobicContact CD1-CD2 4.07Å; I450-L474 HydrophobicContact CD1-CG 4.45Å; I450-A477 HydrophobicContact CB-CB 4.27Å; I450-A477 HydrophobicContact CG2-CB 3.84Å; I450-E478 HydrophobicContact CG2-CB 3.52Å; I450-E478 HydrophobicContact CG2-CG 4.18Å; I450-A481 VanDerWaalsContact O-CB 3.26Å; I450-A481 WeakPolarHBondContact O-CB 3.29Å
451	A	97.1	Very high	94.4	Very high	33 Å²	33	50.4 Å²	50.4	27%	0.273	25%	0.25	S	S	.	.	H	α-helix	trans	-61	-22.4	178.9	0	0	0	0	0	113.4	E447 A477 L486	E447-A451 VanDerWaalsContact O-CB 3.25Å; E447-A451 WeakPolarHBondContact O-CB 3.47Å; E447-A451 PolarHBondContact O-N 3.29Å; A451-A477 HydrophobicContact CB-CB 4.1Å; A451-L486 WeakPolarHBondContact O-CD1 3.43Å
452	K	96.2	Very high	93.3	Very high	107 Å²	107	47.8 Å²	47.8	47%	0.465	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-2.8	173.5	-73.9	-179.5	174.2	-68.3	0	113.8	F406 M448 L449 I450 L454	F406-K452 HydrophobicContact CD2-CD 3.88Å; F406-K452 HydrophobicContact CE1-CD 4.47Å; F406-K452 HydrophobicContact CE2-CD 3.56Å; F406-K452 HydrophobicContact CG-CD 4.47Å; F406-K452 HydrophobicContact CZ-CD 3.86Å; M448-K452 WeakPolarHBondContact O-CG 3.39Å; M448-K452 PolarHBondContact O-N 3.4Å; L449-K452 PolarHBondContact O-N 3.2Å; I450-K452 PolarHBondContact O-N 2.87Å; I450-K452 VanDerWaalsContact O-N 3.09Å; K452-L454 VanDerWaalsContact C-N 3.26Å; K452-L454 HydrophobicContact CB-CD1 4.05Å; K452-L454 HydrophobicContact CB-CG 3.98Å; K452-L454 HydrophobicContact CD-CD1 4.35Å; K452-L454 PolarHBondContact O-N 3.27Å
453	G	95.1	Very high	92.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	23.3	-174	0	0	0	0	0	113.7	L449 I450 L486 G487 I488	L449-G453 PolarHBondContact O-N 2.99Å; I450-G453 WeakPolarHBondContact O-CA 3.42Å; I450-G453 PolarHBondContact O-N 3.46Å; G453-L486 WeakPolarHBondContact CA-O 3.2Å; G453-G487 WeakPolarHBondContact O-CA 3.34Å; G453-I488 WeakPolarHBondContact O-CG1 3.49Å; G453-I488 PolarHBondContact O-N 2.82Å
454	L	95.7	Very high	91.1	Very high	19 Å²	19	44.8 Å²	44.8	10%	0.099	22%	0.216	C	C	.	.	S	Bend	trans	-96.7	-3.6	179.8	-64.3	178.2	0	0	0	112.9	P371 F399 Q402 A403 F406 L449 K452	P371-L454 VanDerWaalsContact CD-O 3.25Å; P371-L454 WeakPolarHBondContact CD-O 3.32Å; P371-L454 VanDerWaalsContact CG-O 3.26Å; P371-L454 WeakPolarHBondContact CG-O 3.3Å; F399-L454 HydrophobicContact CB-CD2 4.48Å; Q402-L454 HydrophobicContact CB-CD2 3.69Å; A403-L454 HydrophobicContact CB-CB 4Å; A403-L454 WeakPolarHBondContact CB-O 3.12Å; F406-L454 HydrophobicContact CB-CD1 3.82Å; F406-L454 HydrophobicContact CD1-CD1 4.49Å; F406-L454 HydrophobicContact CG-CD1 4.08Å; L449-L454 HydrophobicContact CD2-CB 3.81Å; L449-L454 HydrophobicContact CD2-CD1 4.43Å; L449-L454 PolarHBondContact O-N 3.5Å; K452-L454 VanDerWaalsContact C-N 3.26Å; K452-L454 HydrophobicContact CB-CD1 4.05Å; K452-L454 HydrophobicContact CB-CG 3.98Å; K452-L454 HydrophobicContact CD-CD1 4.35Å; K452-L454 PolarHBondContact O-N 3.27Å
455	A	96.1	Very high	90	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-154	168.3	173.4	0	0	0	0	0	109.1	V368 R369 L449 I450	V368-A455 HydrophobicContact CG1-CB 3.66Å; R369-A455 WeakPolarHBondContact O-CA 3.42Å; R369-A455 WeakPolarHBondContact O-CB 3.48Å; L449-A455 HydrophobicContact CB-CB 3.94Å; I450-A455 HydrophobicContact CG1-CB 4.06Å
456	T	94.9	Very high	89.4	Confident	11 Å²	11	50.6 Å²	50.6	7%	0.067	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	161.9	175.1	55.2	0	0	0	0	110.7	R369 E478 I488	R369-T456 PolarHBondContact N-O 3.26Å; R369-T456 PolarHBondContact O-N 3.06Å; T456-E478 WeakPolarHBondContact CA-OE1 3.29Å; T456-E478 VanDerWaalsContact CB-OE1 3.28Å; T456-E478 WeakPolarHBondContact CB-OE1 3.16Å; T456-I488 HydrophobicContact CG2-CD1 4.24Å
457	V	95.3	Very high	88.9	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.024	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	126.6	173.6	-176.9	0	0	0	0	108.8	I450 R459 Y471 L474 L475 E478	I450-V457 HydrophobicContact CD1-CG2 3.74Å; I450-V457 HydrophobicContact CG2-CG2 4.3Å; V457-R459 PolarHBondContact O-N 2.9Å; V457-R459 VanDerWaalsContact O-N 3.17Å; V457-Y471 HydrophobicContact CG1-CD2 4.06Å; V457-Y471 HydrophobicContact CG1-CE2 3.36Å; V457-L474 HydrophobicContact CG1-CB 4.47Å; V457-L474 VanDerWaalsContact CG2-C 3.48Å; V457-L474 HydrophobicContact CG2-CB 3.89Å; V457-L474 VanDerWaalsContact CG2-O 3.24Å; V457-L474 WeakPolarHBondContact CG2-O 3.2Å; V457-L475 HydrophobicContact CB-CD2 4.27Å; V457-L475 HydrophobicContact CG1-CD2 3.81Å; V457-L475 HydrophobicContact CG1-CG 4.43Å; V457-L475 HydrophobicContact CG2-CD2 4.4Å; V457-E478 HydrophobicContact CG2-CB 3.82Å; V457-E478 HydrophobicContact CG2-CG 4.32Å; V457-E478 WeakPolarHBondContact CG2-OE2 3.49Å; V457-E478 PolarHBondContact N-OE1 3.5Å
458	F	92.4	Very high	88.5	Confident	70 Å²	70	49.5 Å²	49.5	31%	0.307	24%	0.238	S	C	.	.			trans	-65.3	116.7	170.1	-175.9	-81	0	0	0	109.2	S367 H460 Y471	S367-F458 PolarHBondContact O-N 3.18Å; F458-H460 AromaticContact CD1-CD2 3.99Å; F458-H460 AromaticContact CD1-CE1 3.48Å; F458-H460 VanDerWaalsContact CD1-CE1 3.48Å; F458-H460 WeakPolarHBondContact CD1-CE1 3.4Å; F458-H460 AromaticContact CD1-CG 3.94Å; F458-H460 AromaticContact CD1-ND1 3.58Å; F458-H460 AromaticContact CD1-NE2 3.72Å; F458-H460 AromaticContact CE1-CE1 3.84Å; F458-H460 AromaticContact CE1-ND1 3.61Å; F458-H460 PolarHBondContact O-CD2 3.47Å; F458-H460 PolarHBondContact O-N 3.35Å; F458-Y471 WeakPolarHBondContact O-CE2 3.19Å; F458-Y471 PolarHBondContact O-OH 3.07Å
459	R	89.2	Confident	87.9	Confident	131 Å²	131	52 Å²	52	49%	0.494	26%	0.259	S	S	.	.			trans	-76.7	107.2	177.6	-53.7	-57.3	-171.9	-172.7	-3.1	110.3	V457 E478	V457-R459 PolarHBondContact O-N 2.9Å; V457-R459 VanDerWaalsContact O-N 3.17Å; R459-E478 IonicContact CZ-OE2 3.78Å; R459-E478 IonicContact NH1-OE2 2.72Å; R459-E478 PolarHBondContact NH1-OE2 2.97Å; R459-E478 VanDerWaalsContact NH1-OE2 3.1Å; R459-E478 IonicContact NH2-OE1 3.03Å; R459-E478 IonicContact NH2-OE2 2.61Å; R459-E478 PolarHBondContact NH2-OE2 2.94Å
460	H	86.2	Confident	87.4	Confident	21 Å²	21	54.3 Å²	54.3	10%	0.097	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-74.6	152.7	174.2	-68.2	-75.4	0	0	0	111.7	S367 F458 D464 N466 R467 Y471	S367-H460 WeakPolarHBondContact CB-NE2 3.4Å; S367-H460 PolarHBondContact OG-NE2 2.74Å; F458-H460 AromaticContact CD1-CD2 3.99Å; F458-H460 AromaticContact CD1-CE1 3.48Å; F458-H460 VanDerWaalsContact CD1-CE1 3.48Å; F458-H460 WeakPolarHBondContact CD1-CE1 3.4Å; F458-H460 AromaticContact CD1-CG 3.94Å; F458-H460 AromaticContact CD1-ND1 3.58Å; F458-H460 AromaticContact CD1-NE2 3.72Å; F458-H460 AromaticContact CE1-CE1 3.84Å; F458-H460 AromaticContact CE1-ND1 3.61Å; F458-H460 PolarHBondContact O-CD2 3.47Å; F458-H460 PolarHBondContact O-N 3.35Å; H460-D464 HydrophobicContact CB-CB 4.32Å; H460-N466 PolarHBondContact CE1-O 3.49Å; H460-N466 PolarHBondContact ND1-O 2.9Å; H460-R467 WeakPolarHBondContact CD2-CB 3.37Å; H460-R467 WeakPolarHBondContact NE2-CB 3.35Å; H460-Y471 AromaticContact CD2-CE2 3.51Å; H460-Y471 AromaticContact CD2-CZ 3.92Å
461	R	79.7	Confident	87.1	Confident	215 Å²	215	54.7 Å²	54.7	81%	0.811	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-66.8	150.5	172	-68.2	-179.1	-179.5	175.4	0.9	109.1	G463 D464	R461-G463 PolarHBondContact O-N 2.82Å; R461-D464 HydrophobicContact CB-CB 4.35Å; R461-D464 VanDerWaalsContact O-CB 3.28Å; R461-D464 WeakPolarHBondContact O-CB 3.28Å; R461-D464 PolarHBondContact O-N 3.27Å
462	Q	71	Confident	86.6	Confident	101 Å²	101	55 Å²	55	47%	0.472	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	125.4	177.3	-168.5	173.3	30.5	0	0	110.2	C292	C292-Q462 PolarHBondContact O-NE2 2.91Å; C292-Q462 VanDerWaalsContact O-NE2 3.12Å
463	G	67.1	Low	86.3	Confident	50 Å²	50	54.2 Å²	54.2	52%	0.515	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	1.2	-176.8	0	0	0	0	0	115.1	R461 E465	R461-G463 PolarHBondContact O-N 2.82Å; G463-E465 PolarHBondContact O-N 3.32Å
464	D	75.1	Confident	86.3	Confident	53 Å²	53	54.2 Å²	54.2	28%	0.283	27%	0.267	S	S	.	.			trans	-76.8	113.8	171	-167.6	-6.1	0	0	0	109.9	H460 R461 N466	H460-D464 HydrophobicContact CB-CB 4.32Å; R461-D464 HydrophobicContact CB-CB 4.35Å; R461-D464 VanDerWaalsContact O-CB 3.28Å; R461-D464 WeakPolarHBondContact O-CB 3.28Å; R461-D464 PolarHBondContact O-N 3.27Å; D464-N466 VanDerWaalsContact C-N 3.33Å; D464-N466 VanDerWaalsContact OD1-CB 3.29Å; D464-N466 WeakPolarHBondContact OD1-CB 3.27Å; D464-N466 PolarHBondContact OD1-N 3.42Å; D464-N466 PolarHBondContact OD1-ND2 2.79Å
465	E	74.3	Confident	86.1	Confident	58 Å²	58	53.9 Å²	53.9	27%	0.271	27%	0.265	S	S	.	.			trans	-85.3	-6.6	178.5	-57.1	-60.7	133.2	0	0	112.4	K315 Y325 P328 G463 R467	K315-E465 IonicContact NZ-OE1 3.43Å; K315-E465 PolarHBondContact NZ-OE1 2.99Å; K315-E465 IonicContact NZ-OE2 3.4Å; K315-E465 PolarHBondContact NZ-OE2 3.03Å; Y325-E465 HydrophobicContact CE2-CG 4.37Å; P328-E465 HydrophobicContact CG-CB 4.03Å; G463-E465 PolarHBondContact O-N 3.32Å; E465-R467 PolarHBondContact O-N 3.2Å
466	N	83.5	Confident	85.9	Confident	78 Å²	78	58.8 Å²	58.8	42%	0.417	29%	0.289	S	S	.	.			trans	-77.5	62.3	176.6	-64.6	-49.2	0	0	0	111.2	Y422 H460 D464	Y422-N466 HydrophobicContact CD1-CB 4.4Å; Y422-N466 WeakPolarHBondContact CD1-O 3.31Å; Y422-N466 HydrophobicContact CD2-CB 3.67Å; Y422-N466 VanDerWaalsContact CE1-C 3.48Å; Y422-N466 WeakPolarHBondContact CE1-O 3.43Å; Y422-N466 HydrophobicContact CE2-CB 4.18Å; Y422-N466 WeakPolarHBondContact CE2-O 2.95Å; Y422-N466 HydrophobicContact CG-CB 3.78Å; H460-N466 PolarHBondContact CE1-O 3.49Å; H460-N466 PolarHBondContact ND1-O 2.9Å; D464-N466 VanDerWaalsContact C-N 3.33Å; D464-N466 VanDerWaalsContact OD1-CB 3.29Å; D464-N466 WeakPolarHBondContact OD1-CB 3.27Å; D464-N466 PolarHBondContact OD1-N 3.42Å; D464-N466 PolarHBondContact OD1-ND2 2.79Å
467	R	87.7	Confident	85.9	Confident	45 Å²	45	58.3 Å²	58.3	17%	0.17	29%	0.286	C	S	.	.	S	Bend	trans	-134.8	167.5	-177.6	64.4	-177.9	179.1	173.7	-1	111.6	D294 H460 E465	D294-R467 IonicContact OD1-NH1 3.41Å; D294-R467 PolarHBondContact OD1-NH1 3.07Å; D294-R467 VanDerWaalsContact OD1-NH1 3.14Å; D294-R467 IonicContact OD2-NH1 3.09Å; D294-R467 PolarHBondContact OD2-NH1 3.37Å; H460-R467 WeakPolarHBondContact CD2-CB 3.37Å; H460-R467 WeakPolarHBondContact NE2-CB 3.35Å; E465-R467 PolarHBondContact O-N 3.2Å
468	S	89.4	Confident	85.8	Confident	5 Å²	5	58.4 Å²	58.4	4%	0.035	29%	0.287	C	S	.	.			trans	-61.6	138.2	178.8	177.8	0	0	0	0	110.1	S366 S367 T437 Q470 Y471	S366-S468 VanDerWaalsContact OG-CB 3.27Å; S366-S468 WeakPolarHBondContact OG-CB 3.46Å; S366-S468 PolarHBondContact OG-OG 3.03Å; S367-S468 PolarHBondContact OG-N 3.33Å; T437-S468 PolarHBondContact OG1-OG 3.28Å; S468-Q470 PolarHBondContact O-N 2.81Å; S468-Q470 VanDerWaalsContact O-N 3.17Å; S468-Q470 PolarHBondContact OG-N 3.22Å; S468-Y471 VanDerWaalsContact O-CB 3.26Å; S468-Y471 WeakPolarHBondContact O-CB 3.49Å; S468-Y471 PolarHBondContact O-N 3.38Å; S468-Y471 VanDerWaalsContact O-N 3.09Å
469	S	84.1	Confident	85.7	Confident	92 Å²	92	58.7 Å²	58.7	64%	0.643	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.7	167.2	51	0	0	0	0	113	D421	D421-S469 WeakPolarHBondContact OD1-CB 3.39Å; D421-S469 PolarHBondContact OD1-N 2.92Å; D421-S469 PolarHBondContact OD1-OG 3.19Å
470	Q	88.4	Confident	85.8	Confident	47 Å²	47	57.2 Å²	57.2	22%	0.22	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	22.4	177.5	-60.2	-169.9	3.3	0	0	113.1	T437 N444 S468 D472 Q473 L474	T437-Q470 HydrophobicContact CG2-CG 4.37Å; N444-Q470 PolarHBondContact ND2-OE1 3.45Å; S468-Q470 PolarHBondContact O-N 2.81Å; S468-Q470 VanDerWaalsContact O-N 3.17Å; S468-Q470 PolarHBondContact OG-N 3.22Å; Q470-D472 VanDerWaalsContact C-N 3.3Å; Q470-D472 PolarHBondContact O-N 3.37Å; Q470-Q473 WeakPolarHBondContact O-CB 3.44Å; Q470-Q473 PolarHBondContact O-N 3.27Å; Q470-Q473 VanDerWaalsContact OE1-OE1 3.06Å; Q470-L474 PolarHBondContact O-N 2.79Å
471	Y	90.4	Very high	86.2	Confident	8 Å²	8	56.2 Å²	56.2	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-53.2	-40.9	-173.9	-172.7	-113.7	0	0	0	114.5	D294 V457 F458 H460 S468 Q473 L474 L475	D294-Y471 HydrophobicContact CB-CE1 4.11Å; D294-Y471 VanDerWaalsContact OD2-CE1 3.29Å; D294-Y471 WeakPolarHBondContact OD2-CE1 3.5Å; V457-Y471 HydrophobicContact CG1-CD2 4.06Å; V457-Y471 HydrophobicContact CG1-CE2 3.36Å; F458-Y471 WeakPolarHBondContact O-CE2 3.19Å; F458-Y471 PolarHBondContact O-OH 3.07Å; H460-Y471 AromaticContact CD2-CE2 3.51Å; H460-Y471 AromaticContact CD2-CZ 3.92Å; S468-Y471 VanDerWaalsContact O-CB 3.26Å; S468-Y471 WeakPolarHBondContact O-CB 3.49Å; S468-Y471 PolarHBondContact O-N 3.38Å; S468-Y471 VanDerWaalsContact O-N 3.09Å; Y471-Q473 VanDerWaalsContact C-N 3.32Å; Y471-Q473 PolarHBondContact O-N 3.04Å; Y471-L474 WeakPolarHBondContact O-CB 3.39Å; Y471-L474 PolarHBondContact O-N 2.75Å; Y471-L475 HydrophobicContact CD1-CD1 3.87Å; Y471-L475 HydrophobicContact CD1-CG 4.31Å; Y471-L475 HydrophobicContact CE1-CD1 3.66Å; Y471-L475 HydrophobicContact CE1-CD2 4.31Å; Y471-L475 HydrophobicContact CE1-CG 4.11Å; Y471-L475 WeakPolarHBondContact O-CG 3.37Å; Y471-L475 PolarHBondContact O-N 2.94Å
472	D	86.5	Confident	86.8	Confident	39 Å²	39	50.3 Å²	50.3	21%	0.209	26%	0.264	C	S	.	.	H	α-helix	trans	-64.7	-35.1	178.5	-75.6	-7.8	0	0	0	112.2	S304 R308 Q470 L475 M476	S304-D472 PolarHBondContact OG-OD2 2.81Å; R308-D472 IonicContact CZ-OD1 3.85Å; R308-D472 IonicContact CZ-OD2 3.67Å; R308-D472 IonicContact NE-OD1 2.89Å; R308-D472 PolarHBondContact NE-OD1 3.03Å; R308-D472 IonicContact NE-OD2 3.88Å; R308-D472 PolarHBondContact NE-OD2 3.3Å; R308-D472 VanDerWaalsContact NE-OD2 3.1Å; R308-D472 IonicContact NH2-OD1 3.2Å; R308-D472 PolarHBondContact NH2-OD1 3.46Å; R308-D472 IonicContact NH2-OD2 2.88Å; Q470-D472 VanDerWaalsContact C-N 3.3Å; Q470-D472 PolarHBondContact O-N 3.37Å; D472-L475 PolarHBondContact O-N 2.82Å; D472-M476 WeakPolarHBondContact O-CG 3.13Å; D472-M476 PolarHBondContact O-N 2.91Å
473	Q	91	Very high	87.6	Confident	91 Å²	91	54.8 Å²	54.8	43%	0.425	28%	0.282	S	S	.	.	H	α-helix	trans	-67.6	-38.7	175.3	-63.7	169.9	3.7	0	0	111	Q470 Y471 M476 A477	Q470-Q473 WeakPolarHBondContact O-CB 3.44Å; Q470-Q473 PolarHBondContact O-N 3.27Å; Q470-Q473 VanDerWaalsContact OE1-OE1 3.06Å; Y471-Q473 VanDerWaalsContact C-N 3.32Å; Y471-Q473 PolarHBondContact O-N 3.04Å; Q473-M476 PolarHBondContact O-N 3.16Å; Q473-A477 WeakPolarHBondContact O-CB 3.48Å; Q473-A477 PolarHBondContact O-N 2.84Å
474	L	95.1	Very high	88.9	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-43.4	174.4	-54.7	-179.8	0	0	0	111.3	V368 E447 I450 V457 Q470 Y471 M476 A477 E478	V368-L474 HydrophobicContact CG2-CD1 4.21Å; E447-L474 HydrophobicContact CB-CD2 3.98Å; I450-L474 HydrophobicContact CD1-CB 3.99Å; I450-L474 HydrophobicContact CD1-CD2 4.07Å; I450-L474 HydrophobicContact CD1-CG 4.45Å; V457-L474 HydrophobicContact CG1-CB 4.47Å; V457-L474 VanDerWaalsContact CG2-C 3.48Å; V457-L474 HydrophobicContact CG2-CB 3.89Å; V457-L474 VanDerWaalsContact CG2-O 3.24Å; V457-L474 WeakPolarHBondContact CG2-O 3.2Å; Q470-L474 PolarHBondContact O-N 2.79Å; Y471-L474 WeakPolarHBondContact O-CB 3.39Å; Y471-L474 PolarHBondContact O-N 2.75Å; L474-M476 PolarHBondContact O-N 2.89Å; L474-A477 PolarHBondContact O-N 2.71Å; L474-E478 PolarHBondContact O-N 2.91Å
475	L	91.7	Very high	89.6	Confident	11 Å²	11	58.1 Å²	58.1	6%	0.058	29%	0.289	C	S	.	.	H	α-helix	trans	-59.8	-44.3	175.3	-68.4	174.6	0	0	0	112	D294 V457 Y471 D472 E478 Q479	D294-L475 HydrophobicContact CB-CD1 4.3Å; V457-L475 HydrophobicContact CB-CD2 4.27Å; V457-L475 HydrophobicContact CG1-CD2 3.81Å; V457-L475 HydrophobicContact CG1-CG 4.43Å; V457-L475 HydrophobicContact CG2-CD2 4.4Å; Y471-L475 HydrophobicContact CD1-CD1 3.87Å; Y471-L475 HydrophobicContact CD1-CG 4.31Å; Y471-L475 HydrophobicContact CE1-CD1 3.66Å; Y471-L475 HydrophobicContact CE1-CD2 4.31Å; Y471-L475 HydrophobicContact CE1-CG 4.11Å; Y471-L475 WeakPolarHBondContact O-CG 3.37Å; Y471-L475 PolarHBondContact O-N 2.94Å; D472-L475 PolarHBondContact O-N 2.82Å; L475-E478 PolarHBondContact O-N 3.11Å; L475-Q479 WeakPolarHBondContact O-CG 3.38Å; L475-Q479 PolarHBondContact O-N 3.27Å
476	M	90	Very high	90.5	Very high	103 Å²	103	58.4 Å²	58.4	51%	0.507	29%	0.291	S	S	.	.	H	α-helix	trans	-64.1	-42.8	177.3	-71.8	178.5	67.4	0	0	112	D472 Q473 L474 E478 Q479 Q480	D472-M476 WeakPolarHBondContact O-CG 3.13Å; D472-M476 PolarHBondContact O-N 2.91Å; Q473-M476 PolarHBondContact O-N 3.16Å; L474-M476 PolarHBondContact O-N 2.89Å; M476-E478 VanDerWaalsContact C-N 3.27Å; M476-E478 PolarHBondContact O-N 2.92Å; M476-Q479 PolarHBondContact O-N 3.21Å; M476-Q480 WeakPolarHBondContact O-CG 3.43Å; M476-Q480 PolarHBondContact O-N 2.95Å
477	A	94.9	Very high	90.8	Very high	2 Å²	2	55.7 Å²	55.7	2%	0.017	28%	0.282	C	S	.	.	H	α-helix	trans	-59.2	-40	176	0	0	0	0	0	111.7	E447 I450 A451 Q473 L474 Q480 A481	E447-A477 HydrophobicContact CG-CB 3.78Å; I450-A477 HydrophobicContact CB-CB 4.27Å; I450-A477 HydrophobicContact CG2-CB 3.84Å; A451-A477 HydrophobicContact CB-CB 4.1Å; Q473-A477 WeakPolarHBondContact O-CB 3.48Å; Q473-A477 PolarHBondContact O-N 2.84Å; L474-A477 PolarHBondContact O-N 2.71Å; A477-Q480 PolarHBondContact O-N 3.11Å; A477-A481 PolarHBondContact O-N 3.28Å
478	E	94.6	Very high	90.9	Very high	6 Å²	6	53.6 Å²	53.6	3%	0.028	28%	0.275	C	S	.	.	H	α-helix	trans	-67.7	-45.1	179.1	-166.4	176.8	-133.3	0	0	111.6	I450 T456 V457 R459 L474 L475 M476 Q480 A481 E482	I450-E478 HydrophobicContact CG2-CB 3.52Å; I450-E478 HydrophobicContact CG2-CG 4.18Å; T456-E478 WeakPolarHBondContact CA-OE1 3.29Å; T456-E478 VanDerWaalsContact CB-OE1 3.28Å; T456-E478 WeakPolarHBondContact CB-OE1 3.16Å; V457-E478 HydrophobicContact CG2-CB 3.82Å; V457-E478 HydrophobicContact CG2-CG 4.32Å; V457-E478 WeakPolarHBondContact CG2-OE2 3.49Å; V457-E478 PolarHBondContact N-OE1 3.5Å; R459-E478 IonicContact CZ-OE2 3.78Å; R459-E478 IonicContact NH1-OE2 2.72Å; R459-E478 PolarHBondContact NH1-OE2 2.97Å; R459-E478 VanDerWaalsContact NH1-OE2 3.1Å; R459-E478 IonicContact NH2-OE1 3.03Å; R459-E478 IonicContact NH2-OE2 2.61Å; R459-E478 PolarHBondContact NH2-OE2 2.94Å; L474-E478 PolarHBondContact O-N 2.91Å; L475-E478 PolarHBondContact O-N 3.11Å; M476-E478 VanDerWaalsContact C-N 3.27Å; M476-E478 PolarHBondContact O-N 2.92Å; E478-Q480 PolarHBondContact O-N 3.37Å; E478-A481 PolarHBondContact O-N 3.41Å; E478-A481 VanDerWaalsContact O-N 3.1Å; E478-E482 WeakPolarHBondContact O-CG 3.37Å; E478-E482 PolarHBondContact O-N 3.2Å
479	Q	89.9	Confident	90.9	Very high	75 Å²	75	53.8 Å²	53.8	35%	0.35	28%	0.275	S	S	.	.	H	α-helix	trans	-59.3	-37.6	175.3	-71.7	176.9	1.9	0	0	112.1	L475 M476 E482 K483	L475-Q479 WeakPolarHBondContact O-CG 3.38Å; L475-Q479 PolarHBondContact O-N 3.27Å; M476-Q479 PolarHBondContact O-N 3.21Å; Q479-E482 PolarHBondContact O-N 2.86Å; Q479-K483 WeakPolarHBondContact O-CB 3.47Å; Q479-K483 PolarHBondContact O-N 3.07Å
480	Q	91.9	Very high	90.8	Very high	100 Å²	100	50.2 Å²	50.2	47%	0.467	25%	0.252	S	S	.	.	H	α-helix	trans	-66.5	-41.6	175	-71	178.6	15.8	0	0	112.1	M476 A477 E478 K484	M476-Q480 WeakPolarHBondContact O-CG 3.43Å; M476-Q480 PolarHBondContact O-N 2.95Å; A477-Q480 PolarHBondContact O-N 3.11Å; E478-Q480 PolarHBondContact O-N 3.37Å; Q480-K484 WeakPolarHBondContact O-CB 3.42Å; Q480-K484 WeakPolarHBondContact O-CG 3.5Å; Q480-K484 PolarHBondContact O-N 2.87Å; Q480-K484 VanDerWaalsContact O-N 3.11Å
481	A	94.8	Very high	90.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.6	-39.8	176.1	0	0	0	0	0	111.7	I450 A477 E478 K484 G485 L486	I450-A481 VanDerWaalsContact O-CB 3.26Å; I450-A481 WeakPolarHBondContact O-CB 3.29Å; A477-A481 PolarHBondContact O-N 3.28Å; E478-A481 PolarHBondContact O-N 3.41Å; E478-A481 VanDerWaalsContact O-N 3.1Å; A481-K484 CarbonylContact O-C 3.46Å; A481-K484 PolarHBondContact O-N 2.85Å; A481-G485 PolarHBondContact O-N 3.25Å; A481-L486 HydrophobicContact CB-CB 4.38Å; A481-L486 PolarHBondContact O-N 2.78Å
482	E	90.7	Very high	88.9	Confident	92 Å²	92	53.4 Å²	53.4	43%	0.43	27%	0.269	S	S	.	.	H	α-helix	trans	-60.3	-52.5	173.5	-77.2	179.4	171.2	0	0	111.9	E478 Q479 K484 G485 H489	E478-E482 WeakPolarHBondContact O-CG 3.37Å; E478-E482 PolarHBondContact O-N 3.2Å; Q479-E482 PolarHBondContact O-N 2.86Å; E482-K484 PolarHBondContact O-N 2.88Å; E482-G485 PolarHBondContact O-N 3.01Å; E482-H489 HydrophobicContact CG-CB 4.08Å; E482-H489 WeakPolarHBondContact CG-ND1 3.31Å; E482-H489 IonicContact OE1-CE1 2.91Å; E482-H489 IonicContact OE1-ND1 3.27Å; E482-H489 PolarHBondContact OE1-ND1 2.94Å
483	K	88.6	Confident	87.4	Confident	194 Å²	194	55.3 Å²	55.3	84%	0.843	29%	0.285	S	S	*	.	H	α-helix	trans	-59.7	-34.2	179.8	-174.3	178.2	179.8	-179.6	0	112.5	Q479	Q479-K483 WeakPolarHBondContact O-CB 3.47Å; Q479-K483 PolarHBondContact O-N 3.07Å
484	K	93.9	Very high	85.4	Confident	144 Å²	144	55.7 Å²	55.7	63%	0.626	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-3.7	179.1	-69.6	176.3	-178.1	174.8	0	113.5	Q480 A481 E482 L486	Q480-K484 WeakPolarHBondContact O-CB 3.42Å; Q480-K484 WeakPolarHBondContact O-CG 3.5Å; Q480-K484 PolarHBondContact O-N 2.87Å; Q480-K484 VanDerWaalsContact O-N 3.11Å; A481-K484 CarbonylContact O-C 3.46Å; A481-K484 PolarHBondContact O-N 2.85Å; E482-K484 PolarHBondContact O-N 2.88Å; K484-L486 VanDerWaalsContact C-N 3.32Å; K484-L486 HydrophobicContact CB-CD1 3.96Å; K484-L486 HydrophobicContact CB-CD2 4.17Å; K484-L486 HydrophobicContact CB-CG 3.66Å; K484-L486 HydrophobicContact CD-CD1 4.05Å; K484-L486 PolarHBondContact O-N 2.87Å
485	G	90.2	Very high	83.2	Confident	30 Å²	30	59 Å²	59	31%	0.309	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	38.9	-176.9	0	0	0	0	0	113.4	A481 E482 G490	A481-G485 PolarHBondContact O-N 3.25Å; E482-G485 PolarHBondContact O-N 3.01Å; G485-G490 WeakPolarHBondContact O-CA 3.34Å; G485-G490 PolarHBondContact O-N 3.39Å
486	L	93.1	Very high	81	Confident	63 Å²	63	63.6 Å²	63.6	33%	0.33	35%	0.349	S	S	.	.			trans	-85.2	139.2	-176.1	-59.1	178.1	0	0	0	111.7	A451 G453 A481 K484 I488 H489	A451-L486 WeakPolarHBondContact O-CD1 3.43Å; G453-L486 WeakPolarHBondContact CA-O 3.2Å; A481-L486 HydrophobicContact CB-CB 4.38Å; A481-L486 PolarHBondContact O-N 2.78Å; K484-L486 VanDerWaalsContact C-N 3.32Å; K484-L486 HydrophobicContact CB-CD1 3.96Å; K484-L486 HydrophobicContact CB-CD2 4.17Å; K484-L486 HydrophobicContact CB-CG 3.66Å; K484-L486 HydrophobicContact CD-CD1 4.05Å; K484-L486 PolarHBondContact O-N 2.87Å; L486-I488 PolarHBondContact O-N 2.97Å; L486-H489 WeakPolarHBondContact O-CB 3.41Å; L486-H489 PolarHBondContact O-N 2.99Å
487	G	90.5	Very high	79	Confident	22 Å²	22	63.9 Å²	63.9	23%	0.227	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	-122.5	174.2	0	0	0	0	0	113.3	F399 G453 H489 G490 A491	F399-G487 WeakPolarHBondContact CZ-O 3.42Å; G453-G487 WeakPolarHBondContact O-CA 3.34Å; G487-H489 PolarHBondContact O-N 3.38Å; G487-H489 VanDerWaalsContact O-N 3.16Å; G487-G490 PolarHBondContact O-N 3.34Å; G487-A491 PolarHBondContact O-N 2.86Å
488	I	89.8	Confident	76.7	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.005	39%	0.394	C	S	.	.	H	α-helix	trans	-53.8	-36.1	179.3	-60	158	0	0	0	111.5	P371 D375 L376 F399 G453 T456 L486 A491 K492	P371-I488 HydrophobicContact CB-CD1 3.92Å; P371-I488 HydrophobicContact CB-CG1 4.38Å; P371-I488 HydrophobicContact CG-CD1 3.89Å; D375-I488 HydrophobicContact CB-CG2 4.1Å; L376-I488 HydrophobicContact CD2-CG2 3.97Å; F399-I488 HydrophobicContact CB-CG1 4.09Å; F399-I488 HydrophobicContact CD2-CB 4.45Å; F399-I488 HydrophobicContact CD2-CG1 3.8Å; F399-I488 HydrophobicContact CG-CG1 4.1Å; G453-I488 WeakPolarHBondContact O-CG1 3.49Å; G453-I488 PolarHBondContact O-N 2.82Å; T456-I488 HydrophobicContact CG2-CD1 4.24Å; L486-I488 PolarHBondContact O-N 2.97Å; I488-A491 PolarHBondContact O-N 3.19Å; I488-K492 PolarHBondContact O-N 2.81Å
489	H	88.2	Confident	74.1	Confident	9 Å²	9	76.3 Å²	76.3	4%	0.042	42%	0.416	C	S	.	.	H	α-helix	trans	-75.5	-31.8	-174	-54.4	-80.9	0	0	0	113	E482 L486 G487 K492	E482-H489 HydrophobicContact CG-CB 4.08Å; E482-H489 WeakPolarHBondContact CG-ND1 3.31Å; E482-H489 IonicContact OE1-CE1 2.91Å; E482-H489 IonicContact OE1-ND1 3.27Å; E482-H489 PolarHBondContact OE1-ND1 2.94Å; L486-H489 WeakPolarHBondContact O-CB 3.41Å; L486-H489 PolarHBondContact O-N 2.99Å; G487-H489 PolarHBondContact O-N 3.38Å; G487-H489 VanDerWaalsContact O-N 3.16Å; H489-K492 PolarHBondContact O-N 2.89Å
490	G	83.2	Confident	72	Confident	16 Å²	16	76.3 Å²	76.3	17%	0.165	42%	0.424	C	S	.	.	H	α-helix	trans	-73	-29.5	171.3	0	0	0	0	0	113.2	G485 G487 K492 S493	G485-G490 WeakPolarHBondContact O-CA 3.34Å; G485-G490 PolarHBondContact O-N 3.39Å; G487-G490 PolarHBondContact O-N 3.34Å; G490-K492 VanDerWaalsContact C-N 3.27Å; G490-K492 PolarHBondContact O-N 2.9Å; G490-S493 PolarHBondContact O-N 2.91Å; G490-S493 PolarHBondContact O-OG 3.42Å; G490-S493 VanDerWaalsContact O-OG 3.06Å
491	A	72.3	Confident	69.8	Low	16 Å²	16	78.4 Å²	78.4	13%	0.132	45%	0.45	C	S	.	.	H	α-helix	trans	-68.1	-27.1	174.7	0	0	0	0	0	112.7	L376 F399 G487 I488 K504 L508	L376-A491 HydrophobicContact CD2-CB 3.61Å; F399-A491 HydrophobicContact CE2-CB 3.71Å; F399-A491 HydrophobicContact CZ-CB 3.93Å; G487-A491 PolarHBondContact O-N 2.86Å; I488-A491 PolarHBondContact O-N 3.19Å; A491-K504 WeakPolarHBondContact O-CE 3.41Å; A491-K504 PolarHBondContact O-NZ 2.79Å; A491-L508 HydrophobicContact CB-CD1 3.94Å
492	K	66	Low	67.8	Low	107 Å²	107	80 Å²	80	47%	0.465	47%	0.467	S	S	.	.	H	α-helix	trans	-74.4	-38.6	174.2	-69.8	175.9	178.8	176.3	0	113.3	D375 I488 H489 G490	D375-K492 WeakPolarHBondContact O-CE 3.28Å; I488-K492 PolarHBondContact O-N 2.81Å; H489-K492 PolarHBondContact O-N 2.89Å; G490-K492 VanDerWaalsContact C-N 3.27Å; G490-K492 PolarHBondContact O-N 2.9Å
493	S	55	Low	66.1	Low	79 Å²	79	78.5 Å²	78.5	55%	0.552	46%	0.462	S	S	*	.	H	α-helix	trans	-74.3	-30.6	-167.1	60.1	0	0	0	0	114.8	G490 G495	G490-S493 PolarHBondContact O-N 2.91Å; G490-S493 PolarHBondContact O-OG 3.42Å; G490-S493 VanDerWaalsContact O-OG 3.06Å; S493-G495 PolarHBondContact O-N 2.89Å
494	N	49.6	Very low	64.7	Low	99 Å²	99	71.9 Å²	71.9	53%	0.529	43%	0.433	S	S	.	.			trans	-77.1	93.7	179.6	-64.7	4.6	0	0	0	108.8	D496 K504	N494-D496 PolarHBondContact O-N 2.87Å; N494-K504 PolarHBondContact O-NZ 3.4Å
495	G	48.1	Very low	63	Low	71 Å²	71	65.2 Å²	65.2	73%	0.732	41%	0.405	S	S	*	.			trans	-63	14	-173.5	0	0	0	0	0	116.9	S493 M497	S493-G495 PolarHBondContact O-N 2.89Å; G495-M497 PolarHBondContact O-N 2.79Å
496	D	45.3	Very low	61.8	Low	107 Å²	107	67.3 Å²	67.3	57%	0.572	41%	0.409	S	S	*	.			trans	-81.8	48.5	179.9	-56.7	-44.5	0	0	0	112	N494 E498	N494-D496 PolarHBondContact O-N 2.87Å; D496-E498 PolarHBondContact O-N 3.22Å
497	M	48.1	Very low	60.8	Low	109 Å²	109	71.5 Å²	71.5	54%	0.537	43%	0.425	S	S	.	.	S	Bend	trans	-71.6	-20.4	178.9	-137.9	-178.2	-151.8	0	0	112.4	N377 G495	N377-M497 HydrophobicContact CB-CE 3.61Å; N377-M497 WeakPolarHBondContact O-CE 3.15Å; G495-M497 PolarHBondContact O-N 2.79Å
498	E	47	Very low	60.2	Low	197 Å²	197	73 Å²	73	92%	0.921	43%	0.427	S	S	*	.	S	Bend	trans	-112.7	-9.9	-172.4	-71.1	-176.4	162.1	0	0	114.9	D496	D496-E498 PolarHBondContact O-N 3.22Å
499	S	40.9	Very low	59.8	Low	72 Å²	72	74.8 Å²	74.8	50%	0.503	44%	0.436	S	S	.	.	S	Bend	trans	-101.9	125.3	-175.7	69.5	0	0	0	0	112.2
500	S	44.1	Very low	59.6	Low	75 Å²	75	76.1 Å²	76.1	52%	0.524	44%	0.443	S	S	.	.	S	Bend	trans	80.9	81.6	169.6	77.1	0	0	0	0	118.5	G502	S500-G502 PolarHBondContact O-N 2.94Å
501	S	47.4	Very low	59.7	Low	143 Å²	143	85 Å²	85	100%	1	47%	0.471	S	S	*	.	S	Bend	trans	46.8	11	141.2	79.5	0	0	0	0	121.4
502	G	50.8	Low	60.5	Low	35 Å²	35	84.7 Å²	84.7	36%	0.361	47%	0.468	S	S	.	.	S	Bend	trans	-160.1	121.8	172.6	0	0	0	0	0	108.1	S500 K504	S500-G502 PolarHBondContact O-N 2.94Å; G502-K504 PolarHBondContact O-N 2.7Å; G502-K504 VanDerWaalsContact O-N 3.13Å
503	N	56.1	Low	61.6	Low	59 Å²	59	83.1 Å²	83.1	32%	0.316	46%	0.462	S	S	.	.			trans	-52	125.7	179.8	-76.6	-12.7	0	0	0	108.1	A505 D506	N503-A505 HydrophobicContact CB-CB 4.05Å; N503-A505 CarbonylContact O-C 3.56Å; N503-A505 PolarHBondContact O-N 3.28Å; N503-D506 PolarHBondContact O-N 3.24Å
504	K	58.3	Low	63.2	Low	55 Å²	55	82.4 Å²	82.4	24%	0.239	45%	0.45	C	S	.	.	H	α-helix	trans	-45.2	-32.4	177.7	-171.2	-179.5	-176.1	-173.7	0	112.5	A491 N494 G502 D506 K507 L508	A491-K504 WeakPolarHBondContact O-CE 3.41Å; A491-K504 PolarHBondContact O-NZ 2.79Å; N494-K504 PolarHBondContact O-NZ 3.4Å; G502-K504 PolarHBondContact O-N 2.7Å; G502-K504 VanDerWaalsContact O-N 3.13Å; K504-D506 PolarHBondContact O-N 2.9Å; K504-K507 PolarHBondContact O-N 2.84Å; K504-L508 HydrophobicContact CG-CD1 4.4Å; K504-L508 WeakPolarHBondContact O-CG 2.81Å; K504-L508 PolarHBondContact O-N 3.39Å
505	A	59.6	Low	65.2	Low	5 Å²	5	77.7 Å²	77.7	4%	0.041	43%	0.425	C	S	.	.	H	α-helix	trans	-40.8	-59	164.8	0	0	0	0	0	114.6	V378 N503 K507 L508 I509	V378-A505 HydrophobicContact CB-CB 4.1Å; V378-A505 HydrophobicContact CG1-CB 3.23Å; V378-A505 HydrophobicContact CG2-CB 3.69Å; N503-A505 HydrophobicContact CB-CB 4.05Å; N503-A505 CarbonylContact O-C 3.56Å; N503-A505 PolarHBondContact O-N 3.28Å; A505-K507 PolarHBondContact O-N 3.4Å; A505-L508 PolarHBondContact O-N 2.84Å; A505-I509 VanDerWaalsContact O-CG1 3.3Å; A505-I509 WeakPolarHBondContact O-CG1 3.34Å; A505-I509 PolarHBondContact O-N 2.81Å
506	D	64.5	Low	66.9	Low	73 Å²	73	78.7 Å²	78.7	39%	0.39	41%	0.41	S	S	.	.	H	α-helix	trans	-65.9	-23.9	-173.9	-67.7	-23.7	0	0	0	112.6	N503 K504	N503-D506 PolarHBondContact O-N 3.24Å; K504-D506 PolarHBondContact O-N 2.9Å
507	K	72	Confident	68.6	Low	152 Å²	152	76.6 Å²	76.6	66%	0.661	41%	0.414	S	S	*	.	H	α-helix	trans	-77.6	-27.4	172.9	-65.2	-178.8	-177.6	170.5	0	112.4	K504 A505	K504-K507 PolarHBondContact O-N 2.84Å; A505-K507 PolarHBondContact O-N 3.4Å
508	L	78.8	Confident	70.5	Confident	54 Å²	54	73.9 Å²	73.9	28%	0.283	40%	0.402	S	S	.	.	H	α-helix	trans	-90	-20.7	179.8	-64.1	173.4	0	0	0	113	P398 F399 A491 K504 A505	P398-L508 HydrophobicContact CB-CB 3.83Å; P398-L508 HydrophobicContact CG-CB 3.95Å; F399-L508 HydrophobicContact CZ-CD2 4.28Å; A491-L508 HydrophobicContact CB-CD1 3.94Å; K504-L508 HydrophobicContact CG-CD1 4.4Å; K504-L508 WeakPolarHBondContact O-CG 2.81Å; K504-L508 PolarHBondContact O-N 3.39Å; A505-L508 PolarHBondContact O-N 2.84Å
509	I	80	Confident	72.5	Confident	38 Å²	38	65.8 Å²	65.8	20%	0.195	37%	0.368	C	S	.	.	S	Bend	trans	-68	133.1	176.2	-68.4	169.7	0	0	0	110	W373 D396 P398 A505 R511	W373-I509 HydrophobicContact CH2-CD1 3.79Å; W373-I509 HydrophobicContact CH2-CG1 4.22Å; W373-I509 HydrophobicContact CZ3-CD1 4.17Å; D396-I509 WeakPolarHBondContact O-CG1 3.5Å; P398-I509 HydrophobicContact CG-CG1 4.31Å; A505-I509 VanDerWaalsContact O-CG1 3.3Å; A505-I509 WeakPolarHBondContact O-CG1 3.34Å; A505-I509 PolarHBondContact O-N 2.81Å; I509-R511 PolarHBondContact O-N 3.47Å
510	M	83.9	Confident	75	Confident	36 Å²	36	66 Å²	66	18%	0.177	37%	0.37	C	S	.	.			trans	-76.5	121.7	175.6	-167	172.5	77.4	0	0	110.3	Y395 F401 V512	Y395-M510 HydrophobicContact CD1-CE 3.28Å; Y395-M510 HydrophobicContact CE1-CE 3.64Å; Y395-M510 HydrophobicContact CG-CE 4.42Å; Y395-M510 PolarHBondContact O-N 2.84Å; F401-M510 HydrophobicContact CB-CE 4.07Å; F401-M510 HydrophobicContact CB-SD 4.29Å; F401-M510 HydrophobicContact CD1-CE 3.68Å; F401-M510 HydrophobicContact CD1-SD 3.38Å; F401-M510 WeakPolarHBondContact CD1-SD 3.36Å; F401-M510 HydrophobicContact CD2-CE 3.5Å; F401-M510 HydrophobicContact CD2-SD 4.34Å; F401-M510 HydrophobicContact CE1-CE 3.93Å; F401-M510 HydrophobicContact CE1-SD 3.68Å; F401-M510 HydrophobicContact CE2-CE 3.76Å; F401-M510 HydrophobicContact CG-CE 3.45Å; F401-M510 VanDerWaalsContact CG-CE 3.45Å; F401-M510 HydrophobicContact CG-SD 3.74Å; F401-M510 HydrophobicContact CZ-CE 3.97Å; F401-M510 HydrophobicContact CZ-SD 4.28Å; M510-V512 HydrophobicContact CE-CG2 3.26Å; M510-V512 HydrophobicContact CG-CG2 4.11Å; M510-V512 PolarHBondContact O-N 2.79Å; M510-V512 HydrophobicContact SD-CG2 4.42Å
511	R	85.5	Confident	77.2	Confident	202 Å²	202	65.8 Å²	65.8	76%	0.762	36%	0.36	S	S	*	.			trans	-84.3	96	-180	-66.9	-173.2	-179.1	178.2	-0.7	110.8	I509 S556	I509-R511 PolarHBondContact O-N 3.47Å; R511-S556 PolarHBondContact O-OG 2.94Å
512	V	89	Confident	79.5	Confident	10 Å²	10	59 Å²	59	6%	0.061	31%	0.312	C	S	.	.			trans	-105.4	123.3	174.3	-175.7	0	0	0	0	110.8	Y395 M510 Y551 S556 L558	Y395-V512 HydrophobicContact CD1-CG2 3.73Å; Y395-V512 HydrophobicContact CE1-CG2 4.1Å; Y395-V512 HydrophobicContact CG-CB 4.48Å; Y395-V512 HydrophobicContact CG-CG2 4.11Å; M510-V512 HydrophobicContact CE-CG2 3.26Å; M510-V512 HydrophobicContact CG-CG2 4.11Å; M510-V512 PolarHBondContact O-N 2.79Å; M510-V512 HydrophobicContact SD-CG2 4.42Å; V512-Y551 HydrophobicContact CG1-CD2 4Å; V512-Y551 HydrophobicContact CG1-CE2 3.85Å; V512-Y551 HydrophobicContact CG2-CE2 3.87Å; V512-S556 WeakPolarHBondContact CA-O 3.47Å; V512-L558 HydrophobicContact CG1-CB 4.34Å; V512-L558 HydrophobicContact CG1-CD1 3.74Å; V512-L558 HydrophobicContact CG1-CG 3.78Å
513	Q	90.4	Very high	81.5	Confident	74 Å²	74	63.4 Å²	63.4	35%	0.346	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	116.5	177	-175.1	55.6	73.2	0	0	111	L515 K521 F525 S556 C557 L558	Q513-L515 HydrophobicContact CG-CD2 3.92Å; Q513-K521 VanDerWaalsContact NE2-NZ 3.13Å; Q513-F525 HydrophobicContact CG-CZ 4.42Å; Q513-S556 PolarHBondContact N-O 3.4Å; Q513-C557 HydrophobicContact CB-CB 4.29Å; Q513-C557 CarbonylContact O-C 3.6Å; Q513-C557 WeakPolarHBondContact O-CA 3.22Å; Q513-C557 WeakPolarHBondContact O-CB 3.19Å; Q513-L558 PolarHBondContact O-N 2.96Å
514	E	88.6	Confident	83.3	Confident	64 Å²	64	66.6 Å²	66.6	30%	0.299	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	126.9	171.7	-74.7	175.9	-134.6	0	0	111	R392 L558	R392-E514 WeakPolarHBondContact CD-OE1 3.27Å; R392-E514 IonicContact CZ-OE1 2.62Å; R392-E514 IonicContact NE-OE1 2.78Å; R392-E514 IonicContact NH1-OE1 3.2Å; R392-E514 PolarHBondContact NH1-OE1 3.31Å; E514-L558 HydrophobicContact CG-CB 4.09Å; E514-L558 HydrophobicContact CG-CD1 4.02Å
515	L	91.8	Very high	85	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.333	C	S	.	.			trans	-101.9	-18.8	177.6	-54.7	-177.2	0	0	0	112	Q513 G517 N518 K521 S522 F525 C557 L558 L559 F617	Q513-L515 HydrophobicContact CG-CD2 3.92Å; L515-G517 PolarHBondContact O-N 2.83Å; L515-N518 PolarHBondContact O-N 2.86Å; L515-N518 VanDerWaalsContact O-N 3.11Å; L515-K521 HydrophobicContact CD2-CB 4.16Å; L515-S522 PolarHBondContact O-OG 3.13Å; L515-F525 HydrophobicContact CD1-CB 3.95Å; L515-F525 HydrophobicContact CD1-CD1 3.94Å; L515-F525 HydrophobicContact CD1-CD2 4.02Å; L515-F525 HydrophobicContact CD1-CE1 4.45Å; L515-F525 HydrophobicContact CD1-CG 3.69Å; L515-F525 HydrophobicContact CD2-CD2 3.63Å; L515-F525 HydrophobicContact CD2-CE2 3.66Å; L515-F525 HydrophobicContact CD2-CG 4.18Å; L515-F525 HydrophobicContact CD2-CZ 4.23Å; L515-C557 HydrophobicContact CD1-CB 4.18Å; L515-C557 HydrophobicContact CG-CB 4.32Å; L515-L558 PolarHBondContact N-O 3.3Å; L515-L559 HydrophobicContact CD1-CB 4.29Å; L515-F617 HydrophobicContact CB-CE2 4.12Å; L515-F617 HydrophobicContact CD1-CE2 3.9Å; L515-F617 HydrophobicContact CD1-CZ 3.92Å
516	Q	81.9	Confident	86.6	Confident	92 Å²	92	67.4 Å²	67.4	43%	0.43	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	130.4	-179.5	179.4	176.6	5.6	0	0	112.2	N518 T560	Q516-N518 PolarHBondContact O-N 3.08Å; Q516-T560 WeakPolarHBondContact CG-OG1 3.34Å
517	G	81.2	Confident	88.1	Confident	63 Å²	63	66.2 Å²	66.2	65%	0.649	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	5.8	177.2	0	0	0	0	0	114.4	L515 A614	L515-G517 PolarHBondContact O-N 2.83Å; G517-A614 CarbonylContact C-O 3.59Å; G517-A614 VanDerWaalsContact CA-O 3.3Å; G517-A614 WeakPolarHBondContact CA-O 3.35Å
518	N	88.3	Confident	89	Confident	53 Å²	53	65.1 Å²	65.1	28%	0.283	33%	0.33	S	S	.	.			trans	-117.3	82.1	-179.6	-166.7	-36.7	0	0	0	110.6	L515 Q516 S520 K521 S522	L515-N518 PolarHBondContact O-N 2.86Å; L515-N518 VanDerWaalsContact O-N 3.11Å; Q516-N518 PolarHBondContact O-N 3.08Å; N518-S520 VanDerWaalsContact C-N 3.26Å; N518-S520 PolarHBondContact O-N 2.85Å; N518-S520 PolarHBondContact OD1-OG 2.8Å; N518-K521 HydrophobicContact CB-CB 4.2Å; N518-K521 PolarHBondContact O-N 3.19Å; N518-K521 PolarHBondContact OD1-N 2.91Å; N518-K521 VanDerWaalsContact OD1-N 3.07Å; N518-S522 PolarHBondContact O-N 3.11Å; N518-S522 PolarHBondContact O-OG 2.88Å
519	A	90.1	Very high	89.7	Confident	26 Å²	26	62.6 Å²	62.6	22%	0.215	32%	0.317	C	S	.	.	H	α-helix	trans	-56.3	-35.8	-176.2	0	0	0	0	0	113.9	K523 K613	A519-K523 WeakPolarHBondContact O-CB 3.45Å; A519-K523 VanDerWaalsContact O-CG 3.23Å; A519-K523 WeakPolarHBondContact O-CG 3.37Å; A519-K523 PolarHBondContact O-N 2.96Å; A519-K523 VanDerWaalsContact O-N 3.08Å; A519-K613 VanDerWaalsContact CB-O 3.3Å; A519-K613 WeakPolarHBondContact CB-O 2.95Å
520	S	92	Very high	90.4	Very high	77 Å²	77	65.1 Å²	65.1	54%	0.538	33%	0.328	S	S	.	.	H	α-helix	trans	-68.7	-46.5	179.1	60.9	0	0	0	0	111.6	N518 K523 Q524	N518-S520 VanDerWaalsContact C-N 3.26Å; N518-S520 PolarHBondContact O-N 2.85Å; N518-S520 PolarHBondContact OD1-OG 2.8Å; S520-K523 PolarHBondContact O-N 3.12Å; S520-Q524 WeakPolarHBondContact O-CG 3.26Å; S520-Q524 PolarHBondContact O-N 2.81Å
521	K	91.3	Very high	90.8	Very high	71 Å²	71	71.5 Å²	71.5	31%	0.309	35%	0.35	S	S	.	.	H	α-helix	trans	-65.2	-44.1	174.9	-73.8	-170.5	173.5	-174.1	0	112	Q513 L515 N518 K523 Q524 F525	Q513-K521 VanDerWaalsContact NE2-NZ 3.13Å; L515-K521 HydrophobicContact CD2-CB 4.16Å; N518-K521 HydrophobicContact CB-CB 4.2Å; N518-K521 PolarHBondContact O-N 3.19Å; N518-K521 PolarHBondContact OD1-N 2.91Å; N518-K521 VanDerWaalsContact OD1-N 3.07Å; K521-K523 VanDerWaalsContact C-N 3.29Å; K521-K523 PolarHBondContact O-N 3.31Å; K521-Q524 WeakPolarHBondContact O-CB 3.43Å; K521-Q524 PolarHBondContact O-N 3.4Å; K521-F525 WeakPolarHBondContact O-CD2 3.19Å; K521-F525 PolarHBondContact O-N 2.61Å
522	S	94.4	Very high	91	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-58.5	-41.5	178.6	-63	0	0	0	0	112	L515 N518 Q524 F525 L526 G615 F617	L515-S522 PolarHBondContact O-OG 3.13Å; N518-S522 PolarHBondContact O-N 3.11Å; N518-S522 PolarHBondContact O-OG 2.88Å; S522-Q524 VanDerWaalsContact C-N 3.28Å; S522-Q524 PolarHBondContact O-N 3.45Å; S522-F525 PolarHBondContact O-N 2.8Å; S522-F525 VanDerWaalsContact O-N 3.17Å; S522-L526 PolarHBondContact O-N 2.86Å; S522-G615 WeakPolarHBondContact CB-O 3.42Å; S522-G615 PolarHBondContact OG-O 3.23Å; S522-F617 WeakPolarHBondContact O-CZ 3.48Å
523	K	94.3	Very high	91.2	Very high	127 Å²	127	65.4 Å²	65.4	55%	0.552	35%	0.346	S	S	*	.	H	α-helix	trans	-63.2	-30.4	174.8	-75.3	176.1	-178.4	-175	0	113.4	A519 S520 K521 P527 V611	A519-K523 WeakPolarHBondContact O-CB 3.45Å; A519-K523 VanDerWaalsContact O-CG 3.23Å; A519-K523 WeakPolarHBondContact O-CG 3.37Å; A519-K523 PolarHBondContact O-N 2.96Å; A519-K523 VanDerWaalsContact O-N 3.08Å; S520-K523 PolarHBondContact O-N 3.12Å; K521-K523 VanDerWaalsContact C-N 3.29Å; K521-K523 PolarHBondContact O-N 3.31Å; K523-P527 WeakPolarHBondContact O-CD 3.38Å; K523-V611 HydrophobicContact CG-CG1 4.26Å
524	Q	93.6	Very high	91.3	Very high	126 Å²	126	67.4 Å²	67.4	59%	0.589	35%	0.351	S	S	*	.	H	α-helix	trans	-70.1	-33.8	174.8	-67.8	170.3	3.4	0	0	112.2	S520 K521 S522 F528	S520-Q524 WeakPolarHBondContact O-CG 3.26Å; S520-Q524 PolarHBondContact O-N 2.81Å; K521-Q524 WeakPolarHBondContact O-CB 3.43Å; K521-Q524 PolarHBondContact O-N 3.4Å; S522-Q524 VanDerWaalsContact C-N 3.28Å; S522-Q524 PolarHBondContact O-N 3.45Å; Q524-F528 WeakPolarHBondContact O-CD2 3.47Å; Q524-F528 WeakPolarHBondContact O-CE2 3.35Å
525	F	93.5	Very high	91.6	Very high	48 Å²	48	64.8 Å²	64.8	21%	0.211	34%	0.339	C	S	.	.	H	α-helix	trans	-80.7	-27.8	177.9	-84.1	-103.5	0	0	0	113.2	Q513 L515 K521 S522 F528 L529 E555 C557 F617	Q513-F525 HydrophobicContact CG-CZ 4.42Å; L515-F525 HydrophobicContact CD1-CB 3.95Å; L515-F525 HydrophobicContact CD1-CD1 3.94Å; L515-F525 HydrophobicContact CD1-CD2 4.02Å; L515-F525 HydrophobicContact CD1-CE1 4.45Å; L515-F525 HydrophobicContact CD1-CG 3.69Å; L515-F525 HydrophobicContact CD2-CD2 3.63Å; L515-F525 HydrophobicContact CD2-CE2 3.66Å; L515-F525 HydrophobicContact CD2-CG 4.18Å; L515-F525 HydrophobicContact CD2-CZ 4.23Å; K521-F525 WeakPolarHBondContact O-CD2 3.19Å; K521-F525 PolarHBondContact O-N 2.61Å; S522-F525 PolarHBondContact O-N 2.8Å; S522-F525 VanDerWaalsContact O-N 3.17Å; F525-F528 WeakPolarHBondContact O-CB 3.49Å; F525-F528 PolarHBondContact O-N 2.64Å; F525-L529 HydrophobicContact CB-CD1 4.3Å; F525-L529 PolarHBondContact O-N 3.28Å; F525-L529 VanDerWaalsContact O-N 3.11Å; F525-E555 HydrophobicContact CE1-CB 4.43Å; F525-C557 HydrophobicContact CE1-CB 4.23Å; F525-F617 HydrophobicContact CB-CZ 4.23Å
526	L	94.3	Very high	91.8	Very high	29 Å²	29	67.1 Å²	67.1	15%	0.152	35%	0.353	C	S	.	.	H	α-helix	trans	-49.4	-50.2	-174.3	173.5	64.6	0	0	0	113.9	S522 F528 L529 Q530 V608 V611 F617	S522-L526 PolarHBondContact O-N 2.86Å; L526-F528 VanDerWaalsContact C-N 3.26Å; L526-F528 PolarHBondContact O-N 3.23Å; L526-L529 PolarHBondContact O-N 3.03Å; L526-Q530 HydrophobicContact CD1-CG 3.8Å; L526-Q530 HydrophobicContact CG-CG 4.38Å; L526-Q530 WeakPolarHBondContact O-CB 3.4Å; L526-Q530 WeakPolarHBondContact O-CG 3.27Å; L526-Q530 PolarHBondContact O-N 3.32Å; L526-V608 HydrophobicContact CD1-CG1 3.47Å; L526-V608 VanDerWaalsContact CD1-CG1 3.47Å; L526-V611 HydrophobicContact CB-CG2 4.19Å; L526-V611 HydrophobicContact CD1-CG2 4.16Å; L526-V611 HydrophobicContact CD2-CB 4.25Å; L526-V611 HydrophobicContact CD2-CG2 4.29Å; L526-V611 HydrophobicContact CG-CG2 4.45Å; L526-F617 HydrophobicContact CB-CE1 4.32Å; L526-F617 HydrophobicContact CD1-CD1 4.5Å
527	P	94.6	Very high	92.5	Very high	48 Å²	48	62.7 Å²	62.7	31%	0.312	33%	0.333	S	S	.	.	H	α-helix	trans	-63	-31	-179.2	-23.1	34.1	0	0	0	113.7	K523 R531	K523-P527 WeakPolarHBondContact O-CD 3.38Å; P527-R531 WeakPolarHBondContact O-CB 3.31Å; P527-R531 VanDerWaalsContact O-CG 3.27Å; P527-R531 WeakPolarHBondContact O-CG 3.43Å; P527-R531 PolarHBondContact O-N 3.46Å; P527-R531 VanDerWaalsContact O-N 3.12Å; P527-R531 PolarHBondContact O-NE 3.22Å
528	F	91.5	Very high	93.3	Very high	129 Å²	129	59.9 Å²	59.9	57%	0.566	30%	0.303	S	S	*	.	H	α-helix	trans	-72.1	-44.5	177.9	-62.2	-86.9	0	0	0	111	Q524 F525 L526 R531 A532	Q524-F528 WeakPolarHBondContact O-CD2 3.47Å; Q524-F528 WeakPolarHBondContact O-CE2 3.35Å; F525-F528 WeakPolarHBondContact O-CB 3.49Å; F525-F528 PolarHBondContact O-N 2.64Å; L526-F528 VanDerWaalsContact C-N 3.26Å; L526-F528 PolarHBondContact O-N 3.23Å; F528-R531 PolarHBondContact O-N 3.17Å; F528-A532 WeakPolarHBondContact O-CB 3.39Å; F528-A532 PolarHBondContact O-N 2.87Å
529	L	93.3	Very high	93.8	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-66	-40.1	178.2	-66.1	171.7	0	0	0	111.8	F525 L526 A532 G533 L559 V608 F617	F525-L529 HydrophobicContact CB-CD1 4.3Å; F525-L529 PolarHBondContact O-N 3.28Å; F525-L529 VanDerWaalsContact O-N 3.11Å; L526-L529 PolarHBondContact O-N 3.03Å; L529-A532 PolarHBondContact O-N 3.12Å; L529-G533 PolarHBondContact O-N 2.93Å; L529-L559 HydrophobicContact CD1-CD2 3.85Å; L529-V608 HydrophobicContact CB-CB 4.14Å; L529-V608 HydrophobicContact CB-CG1 4.5Å; L529-V608 HydrophobicContact CB-CG2 4.15Å; L529-V608 HydrophobicContact CD1-CG2 4.29Å; L529-F617 HydrophobicContact CD1-CD1 4.01Å; L529-F617 HydrophobicContact CD1-CE1 3.55Å; L529-F617 HydrophobicContact CD1-CZ 3.88Å
530	Q	94.1	Very high	94	Very high	90 Å²	90	56.9 Å²	56.9	42%	0.421	28%	0.283	S	S	.	.	H	α-helix	trans	-62.8	-46.6	174.3	-78.1	174.3	-36.7	0	0	112	L526 A532 G533 V608 D609	L526-Q530 HydrophobicContact CD1-CG 3.8Å; L526-Q530 HydrophobicContact CG-CG 4.38Å; L526-Q530 WeakPolarHBondContact O-CB 3.4Å; L526-Q530 WeakPolarHBondContact O-CG 3.27Å; L526-Q530 PolarHBondContact O-N 3.32Å; Q530-A532 VanDerWaalsContact C-N 3.31Å; Q530-A532 PolarHBondContact O-N 3.12Å; Q530-G533 PolarHBondContact O-N 3.11Å; Q530-V608 WeakPolarHBondContact CG-O 3.36Å; Q530-D609 PolarHBondContact NE2-O 2.73Å
531	R	92.7	Very high	94.1	Very high	171 Å²	171	58.1 Å²	58.1	65%	0.645	28%	0.279	S	S	*	.	H	α-helix	trans	-67	-30.7	178.9	-76	-171.7	-58	-101.6	-0.3	113.3	P527 F528 G533	P527-R531 WeakPolarHBondContact O-CB 3.31Å; P527-R531 VanDerWaalsContact O-CG 3.27Å; P527-R531 WeakPolarHBondContact O-CG 3.43Å; P527-R531 PolarHBondContact O-N 3.46Å; P527-R531 VanDerWaalsContact O-N 3.12Å; P527-R531 PolarHBondContact O-NE 3.22Å; F528-R531 PolarHBondContact O-N 3.17Å; R531-G533 PolarHBondContact O-N 3.24Å
532	A	90.8	Very high	94.4	Very high	55 Å²	55	55.1 Å²	55.1	46%	0.455	27%	0.266	S	S	.	.	H	α-helix	trans	-67.7	-21.1	175.8	0	0	0	0	0	112.5	F528 L529 Q530 R534	F528-A532 WeakPolarHBondContact O-CB 3.39Å; F528-A532 PolarHBondContact O-N 2.87Å; L529-A532 PolarHBondContact O-N 3.12Å; Q530-A532 VanDerWaalsContact C-N 3.31Å; Q530-A532 PolarHBondContact O-N 3.12Å; A532-R534 PolarHBondContact O-N 3.39Å
533	G	91.6	Very high	94.3	Very high	28 Å²	28	56.8 Å²	56.8	29%	0.289	28%	0.28	S	S	.	.			trans	64.8	-124.5	-173.7	0	0	0	0	0	110.8	L529 Q530 R531 S535	L529-G533 PolarHBondContact O-N 2.93Å; Q530-G533 PolarHBondContact O-N 3.11Å; R531-G533 PolarHBondContact O-N 3.24Å; G533-S535 PolarHBondContact O-N 2.96Å
534	R	93	Very high	94.3	Very high	116 Å²	116	51.3 Å²	51.3	44%	0.438	26%	0.259	S	S	.	.	S	Bend	trans	-69.8	114	176	-71.4	-167	177.5	-161.6	2.4	110.8	A532 E605	A532-R534 PolarHBondContact O-N 3.39Å; R534-E605 WeakPolarHBondContact CD-OE2 3.32Å; R534-E605 IonicContact CZ-OE2 3.83Å; R534-E605 IonicContact NH1-OE2 3.34Å; R534-E605 PolarHBondContact NH1-OE2 2.82Å
535	S	95.3	Very high	94.3	Very high	9 Å²	9	45.3 Å²	45.3	6%	0.063	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	150.7	175.9	-62.2	0	0	0	0	110.5	G533 E605 F606	G533-S535 PolarHBondContact O-N 2.96Å; S535-E605 CarbonylContact O-C 3.52Å; S535-E605 VanDerWaalsContact O-CA 3.26Å; S535-E605 WeakPolarHBondContact O-CA 3.32Å; S535-F606 PolarHBondContact N-O 3.02Å; S535-F606 WeakPolarHBondContact O-CD1 3.38Å; S535-F606 PolarHBondContact O-N 3.25Å
536	V	96.9	Very high	94.5	Very high	49 Å²	49	44.1 Å²	44.1	30%	0.297	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.4	178.2	179.7	0	0	0	0	109.1	E603 E605	V536-E603 HydrophobicContact CG1-CG 3.42Å; V536-E603 VanDerWaalsContact CG1-CG 3.42Å; V536-E605 HydrophobicContact CG2-CG 4.46Å
537	G	96.6	Very high	94.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	167.7	178.5	0	0	0	0	0	113	Y551 E603 V604	G537-Y551 CarbonylContact C-O 3.42Å; G537-Y551 WeakPolarHBondContact CA-O 3.25Å; G537-E603 CarbonylContact O-C 3.57Å; G537-E603 WeakPolarHBondContact O-CA 3.39Å; G537-V604 PolarHBondContact N-O 2.89Å; G537-V604 PolarHBondContact O-N 3.38Å
538	V	97.1	Very high	94.8	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.9	177	-178.7	0	0	0	0	109	E540 I550 Y551 K602	V538-E540 PolarHBondContact O-N 3.18Å; V538-E540 VanDerWaalsContact O-N 3.08Å; V538-I550 CarbonylContact O-C 3.57Å; V538-I550 WeakPolarHBondContact O-CA 3.45Å; V538-Y551 PolarHBondContact N-O 3.38Å; V538-Y551 PolarHBondContact O-N 2.72Å; V538-K602 WeakPolarHBondContact CA-O 3.33Å
539	V	97.9	Very high	95	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	103.9	176.1	-178.4	0	0	0	0	109.2	V542 L548 R549 I550 C599 Q601 K602 V604	V539-V542 HydrophobicContact CG1-CG2 3.87Å; V539-L548 HydrophobicContact CG1-CD2 4.08Å; V539-L548 HydrophobicContact CG2-CD1 4.49Å; V539-R549 CarbonylContact C-O 3.53Å; V539-I550 HydrophobicContact CG2-CG1 4.47Å; V539-C599 WeakPolarHBondContact CB-O 3.44Å; V539-C599 HydrophobicContact CG2-CB 4.1Å; V539-Q601 VanDerWaalsContact O-CA 3.27Å; V539-Q601 WeakPolarHBondContact O-CA 3.28Å; V539-Q601 PolarHBondContact O-N 3.24Å; V539-K602 PolarHBondContact N-O 2.84Å; V539-K602 VanDerWaalsContact N-O 3.13Å; V539-V604 HydrophobicContact CG2-CB 4.38Å; V539-V604 HydrophobicContact CG2-CG1 3.75Å; V539-V604 HydrophobicContact CG2-CG2 3.65Å
540	E	94.6	Very high	95.2	Very high	15 Å²	15	41.1 Å²	41.1	7%	0.07	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-20.7	-178.2	-80.8	-65.2	123	0	0	112.9	Y395 R404 V538 R549 L558 F600	Y395-E540 PolarHBondContact OH-OE2 3.34Å; R404-E540 IonicContact CZ-OE1 2.83Å; R404-E540 IonicContact NE-OE1 2.83Å; R404-E540 IonicContact NH2-OE1 4Å; R404-E540 PolarHBondContact NH2-OE1 3.43Å; V538-E540 PolarHBondContact O-N 3.18Å; V538-E540 VanDerWaalsContact O-N 3.08Å; E540-R549 PolarHBondContact N-O 3.44Å; E540-L558 HydrophobicContact CB-CD2 4.27Å; E540-L558 HydrophobicContact CG-CD2 4.24Å; E540-F600 WeakPolarHBondContact O-CE2 3.37Å
541	F	94.9	Very high	95.3	Very high	104 Å²	104	37.4 Å²	37.4	46%	0.456	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	148.7	175.5	-169.6	-109	0	0	0	111.5	A543 R549	F541-A543 HydrophobicContact CD1-CB 3.97Å; F541-A543 HydrophobicContact CE1-CB 3.71Å; F541-R549 HydrophobicContact CB-CB 3.8Å; F541-R549 PolarHBondContact N-O 2.8Å; F541-R549 PolarHBondContact O-N 3.27Å
542	V	96.7	Very high	95.5	Very high	7 Å²	7	29.3 Å²	29.3	4%	0.042	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	111.1	172.6	-178.7	0	0	0	0	106.9	V539 A544 L548 M592 T595 F600	V539-V542 HydrophobicContact CG1-CG2 3.87Å; V542-A544 WeakPolarHBondContact CG1-O 3.27Å; V542-L548 HydrophobicContact CB-CD2 4.45Å; V542-L548 HydrophobicContact CG1-CD2 4.22Å; V542-L548 HydrophobicContact CG2-CD2 3.88Å; V542-M592 HydrophobicContact CG1-CG 4.05Å; V542-T595 HydrophobicContact CG1-CG2 3.65Å; V542-T595 HydrophobicContact CG2-CG2 4.22Å; V542-F600 HydrophobicContact CG2-CB 4.27Å; V542-F600 HydrophobicContact CG2-CD2 4.28Å
543	A	93.1	Very high	95.5	Very high	35 Å²	35	29.9 Å²	29.9	29%	0.289	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-22.7	-175.8	0	0	0	0	0	113.2	F541 R547	F541-A543 HydrophobicContact CD1-CB 3.97Å; F541-A543 HydrophobicContact CE1-CB 3.71Å; A543-R547 HydrophobicContact CB-CB 4.31Å; A543-R547 HydrophobicContact CB-CG 4Å; A543-R547 PolarHBondContact N-O 2.97Å
544	A	94.1	Very high	95.5	Very high	13 Å²	13	36.8 Å²	36.8	11%	0.107	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	171.7	172.6	0	0	0	0	0	107.5	V542 S546 R547 P571	V542-A544 WeakPolarHBondContact CG1-O 3.27Å; A544-S546 VanDerWaalsContact C-N 3.25Å; A544-S546 PolarHBondContact O-N 3.22Å; A544-R547 HydrophobicContact CB-CB 3.98Å; A544-R547 PolarHBondContact N-O 2.88Å; A544-R547 PolarHBondContact O-N 2.84Å; A544-R547 VanDerWaalsContact O-N 3.09Å; A544-P571 HydrophobicContact CB-CG 4.17Å
545	G	94.4	Very high	95.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-43.5	177.2	0	0	0	0	0	112.9	T595 L632	G545-T595 WeakPolarHBondContact CA-OG1 3.16Å; G545-T595 WeakPolarHBondContact O-CG2 3.38Å; G545-T595 PolarHBondContact O-OG1 3.44Å; G545-L632 WeakPolarHBondContact O-CD1 3.4Å
546	S	96.5	Very high	95.1	Very high	22 Å²	22	35.9 Å²	35.9	15%	0.154	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	12	178.6	63.2	0	0	0	0	115.6	A544 L562 L563 C568	A544-S546 VanDerWaalsContact C-N 3.25Å; A544-S546 PolarHBondContact O-N 3.22Å; S546-L562 WeakPolarHBondContact O-CA 3.42Å; S546-L563 PolarHBondContact O-N 2.86Å; S546-C568 VanDerWaalsContact OG-CB 3.3Å; S546-C568 WeakPolarHBondContact OG-CB 3.47Å
547	R	96.7	Very high	94.9	Very high	86 Å²	86	33.6 Å²	33.6	33%	0.325	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	109.3	-174.3	-173.1	171.9	-168.8	-176.9	6.5	112.6	A543 A544 T560 L562 N616	A543-R547 HydrophobicContact CB-CB 4.31Å; A543-R547 HydrophobicContact CB-CG 4Å; A543-R547 PolarHBondContact N-O 2.97Å; A544-R547 HydrophobicContact CB-CB 3.98Å; A544-R547 PolarHBondContact N-O 2.88Å; A544-R547 PolarHBondContact O-N 2.84Å; A544-R547 VanDerWaalsContact O-N 3.09Å; R547-T560 HydrophobicContact CG-CG2 3.91Å; R547-L562 HydrophobicContact CB-CD2 3.99Å; R547-L562 HydrophobicContact CG-CD2 3.64Å; R547-N616 PolarHBondContact NH2-OD1 3.43Å; R547-N616 VanDerWaalsContact NH2-OD1 3.12Å
548	L	98.1	Very high	94.8	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	143.4	-175.7	-55.3	177	0	0	0	111.1	V539 V542 I550 T560 L561 T595 C621 L628	V539-L548 HydrophobicContact CG1-CD2 4.08Å; V539-L548 HydrophobicContact CG2-CD1 4.49Å; V542-L548 HydrophobicContact CB-CD2 4.45Å; V542-L548 HydrophobicContact CG1-CD2 4.22Å; V542-L548 HydrophobicContact CG2-CD2 3.88Å; L548-I550 HydrophobicContact CB-CD1 4.31Å; L548-I550 HydrophobicContact CB-CG1 4.06Å; L548-I550 HydrophobicContact CD1-CD1 4.46Å; L548-T560 CarbonylContact O-C 3.45Å; L548-T560 WeakPolarHBondContact O-CA 3.3Å; L548-L561 PolarHBondContact N-O 3.27Å; L548-L561 PolarHBondContact O-N 2.98Å; L548-T595 HydrophobicContact CD2-CG2 3.55Å; L548-C621 HydrophobicContact CD1-CB 4.04Å; L548-L628 HydrophobicContact CD1-CD2 3.84Å
549	R	96.9	Very high	94.8	Very high	58 Å²	58	33.5 Å²	33.5	22%	0.219	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.4	164	-162.3	177.7	66.8	131.7	2.5	108.5	V539 E540 F541 L558 L559	V539-R549 CarbonylContact C-O 3.53Å; E540-R549 PolarHBondContact N-O 3.44Å; F541-R549 HydrophobicContact CB-CB 3.8Å; F541-R549 PolarHBondContact N-O 2.8Å; F541-R549 PolarHBondContact O-N 3.27Å; R549-L558 HydrophobicContact CG-CD2 4.37Å; R549-L559 CarbonylContact C-O 3.58Å; R549-L559 WeakPolarHBondContact CA-O 3.29Å
550	I	97.8	Very high	94.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.4	-171.4	-55.2	-179.3	0	0	0	108.8	V538 V539 L548 V552 L558 L559 L561 V604 F606	V538-I550 CarbonylContact O-C 3.57Å; V538-I550 WeakPolarHBondContact O-CA 3.45Å; V539-I550 HydrophobicContact CG2-CG1 4.47Å; L548-I550 HydrophobicContact CB-CD1 4.31Å; L548-I550 HydrophobicContact CB-CG1 4.06Å; L548-I550 HydrophobicContact CD1-CD1 4.46Å; I550-V552 HydrophobicContact CG2-CG2 4.34Å; I550-L558 WeakPolarHBondContact O-CA 3.33Å; I550-L559 HydrophobicContact CB-CD1 4.13Å; I550-L559 PolarHBondContact N-O 3.01Å; I550-L559 PolarHBondContact O-N 2.98Å; I550-L561 HydrophobicContact CD1-CB 3.93Å; I550-L561 HydrophobicContact CD1-CD2 3.69Å; I550-L561 HydrophobicContact CD1-CG 4.47Å; I550-V604 HydrophobicContact CD1-CG2 4.32Å; I550-F606 HydrophobicContact CD1-CB 4.29Å; I550-F606 HydrophobicContact CD1-CD1 4.11Å; I550-F606 HydrophobicContact CD1-CG 4.06Å; I550-F606 HydrophobicContact CG2-CD1 4.16Å; I550-F606 HydrophobicContact CG2-CE1 3.92Å
551	Y	96.2	Very high	95	Very high	12 Å²	12	33 Å²	33	5%	0.047	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	127.1	165.1	174.5	-118.8	0	0	0	108.9	F401 V512 G537 V538 P553 C557 L558	F401-Y551 HydrophobicContact CE1-CE1 4.45Å; F401-Y551 HydrophobicContact CE2-CD1 4.26Å; F401-Y551 AromaticContact CE2-CE1 3.98Å; F401-Y551 HydrophobicContact CE2-CE1 3.98Å; F401-Y551 HydrophobicContact CZ-CD1 4.12Å; F401-Y551 AromaticContact CZ-CE1 3.51Å; F401-Y551 HydrophobicContact CZ-CE1 3.51Å; V512-Y551 HydrophobicContact CG1-CD2 4Å; V512-Y551 HydrophobicContact CG1-CE2 3.85Å; V512-Y551 HydrophobicContact CG2-CE2 3.87Å; G537-Y551 CarbonylContact C-O 3.42Å; G537-Y551 WeakPolarHBondContact CA-O 3.25Å; V538-Y551 PolarHBondContact N-O 3.38Å; V538-Y551 PolarHBondContact O-N 2.72Å; Y551-P553 HydrophobicContact CD1-CG 4.01Å; Y551-P553 HydrophobicContact CE1-CB 4.02Å; Y551-P553 HydrophobicContact CE1-CG 3.76Å; Y551-P553 WeakPolarHBondContact O-CD 3.45Å; Y551-C557 WeakPolarHBondContact CA-O 3.36Å; Y551-C557 WeakPolarHBondContact CD2-O 3.41Å; Y551-L558 HydrophobicContact CD2-CD2 4.42Å; Y551-L558 HydrophobicContact CD2-CG 4.23Å
552	V	95.8	Very high	95.1	Very high	1 Å²	1	30 Å²	30	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	103.3	-179.5	-156.9	0	0	0	0	107.9	I550 K554 E555 S556 C557 L559 F606	I550-V552 HydrophobicContact CG2-CG2 4.34Å; V552-K554 PolarHBondContact O-N 2.86Å; V552-E555 WeakPolarHBondContact CG1-OE2 3.38Å; V552-S556 WeakPolarHBondContact O-CA 3.19Å; V552-S556 PolarHBondContact O-N 3.26Å; V552-C557 PolarHBondContact N-O 3.36Å; V552-C557 PolarHBondContact O-N 2.83Å; V552-L559 HydrophobicContact CG2-CD2 3.73Å; V552-L559 HydrophobicContact CG2-CG 4.12Å; V552-F606 HydrophobicContact CG1-CE1 4.26Å; V552-F606 HydrophobicContact CG1-CZ 4.15Å; V552-F606 HydrophobicContact CG2-CE1 4.02Å; V552-F606 HydrophobicContact CG2-CZ 3.64Å
553	P	92.1	Very high	95.1	Very high	67 Å²	67	30 Å²	30	44%	0.435	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-37.1	-171.9	-24.4	33.5	0	0	0	114	Y551 E555 S556	Y551-P553 HydrophobicContact CD1-CG 4.01Å; Y551-P553 HydrophobicContact CE1-CB 4.02Å; Y551-P553 HydrophobicContact CE1-CG 3.76Å; Y551-P553 WeakPolarHBondContact O-CD 3.45Å; P553-E555 PolarHBondContact O-N 3.27Å; P553-S556 PolarHBondContact O-N 3.14Å
554	K	90.5	Very high	95.2	Very high	174 Å²	174	28.9 Å²	28.9	76%	0.757	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-43.3	-177.3	-72.3	-177.6	-179.7	179	0	111.8	V552	V552-K554 PolarHBondContact O-N 2.86Å
555	E	89.5	Confident	95.2	Very high	69 Å²	69	28.5 Å²	28.5	32%	0.322	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-2.2	179	-64.8	69.1	-149.5	0	0	112.7	F525 V552 P553 C557	F525-E555 HydrophobicContact CE1-CB 4.43Å; V552-E555 WeakPolarHBondContact CG1-OE2 3.38Å; P553-E555 PolarHBondContact O-N 3.27Å; E555-C557 VanDerWaalsContact C-N 3.27Å; E555-C557 PolarHBondContact O-N 2.93Å
556	S	90.7	Very high	95.4	Very high	37 Å²	37	29.1 Å²	29.1	26%	0.259	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	48.5	-175.8	-150.4	0	0	0	0	113.2	R511 V512 Q513 V552 P553	R511-S556 PolarHBondContact O-OG 2.94Å; V512-S556 WeakPolarHBondContact CA-O 3.47Å; Q513-S556 PolarHBondContact N-O 3.4Å; V552-S556 WeakPolarHBondContact O-CA 3.19Å; V552-S556 PolarHBondContact O-N 3.26Å; P553-S556 PolarHBondContact O-N 3.14Å
557	C	93.5	Very high	95.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	157.1	-176.1	75.7	0	0	0	0	113.1	Q513 L515 F525 Y551 V552 E555	Q513-C557 HydrophobicContact CB-CB 4.29Å; Q513-C557 CarbonylContact O-C 3.6Å; Q513-C557 WeakPolarHBondContact O-CA 3.22Å; Q513-C557 WeakPolarHBondContact O-CB 3.19Å; L515-C557 HydrophobicContact CD1-CB 4.18Å; L515-C557 HydrophobicContact CG-CB 4.32Å; F525-C557 HydrophobicContact CE1-CB 4.23Å; Y551-C557 WeakPolarHBondContact CA-O 3.36Å; Y551-C557 WeakPolarHBondContact CD2-O 3.41Å; V552-C557 PolarHBondContact N-O 3.36Å; V552-C557 PolarHBondContact O-N 2.83Å; E555-C557 VanDerWaalsContact C-N 3.27Å; E555-C557 PolarHBondContact O-N 2.93Å
558	L	94.8	Very high	95.2	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.016	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.2	172.1	-85.1	163.3	0	0	0	108.8	Y395 V512 Q513 E514 L515 E540 R549 I550 Y551	Y395-L558 HydrophobicContact CD2-CD1 4.33Å; Y395-L558 HydrophobicContact CE2-CD1 3.57Å; V512-L558 HydrophobicContact CG1-CB 4.34Å; V512-L558 HydrophobicContact CG1-CD1 3.74Å; V512-L558 HydrophobicContact CG1-CG 3.78Å; Q513-L558 PolarHBondContact O-N 2.96Å; E514-L558 HydrophobicContact CG-CB 4.09Å; E514-L558 HydrophobicContact CG-CD1 4.02Å; L515-L558 PolarHBondContact N-O 3.3Å; E540-L558 HydrophobicContact CB-CD2 4.27Å; E540-L558 HydrophobicContact CG-CD2 4.24Å; R549-L558 HydrophobicContact CG-CD2 4.37Å; I550-L558 WeakPolarHBondContact O-CA 3.33Å; Y551-L558 HydrophobicContact CD2-CD2 4.42Å; Y551-L558 HydrophobicContact CD2-CG 4.23Å
559	L	96.5	Very high	94.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	156.4	179.6	65.6	80.5	0	0	0	111.8	L515 L529 R549 I550 V552 L561 F606 F617	L515-L559 HydrophobicContact CD1-CB 4.29Å; L529-L559 HydrophobicContact CD1-CD2 3.85Å; R549-L559 CarbonylContact C-O 3.58Å; R549-L559 WeakPolarHBondContact CA-O 3.29Å; I550-L559 HydrophobicContact CB-CD1 4.13Å; I550-L559 PolarHBondContact N-O 3.01Å; I550-L559 PolarHBondContact O-N 2.98Å; V552-L559 HydrophobicContact CG2-CD2 3.73Å; V552-L559 HydrophobicContact CG2-CG 4.12Å; L559-L561 HydrophobicContact CD1-CB 4.05Å; L559-F606 HydrophobicContact CD1-CE2 4.33Å; L559-F606 HydrophobicContact CD2-CE2 3.95Å; L559-F606 HydrophobicContact CD2-CZ 4.02Å; L559-F617 HydrophobicContact CB-CD2 3.71Å; L559-F617 HydrophobicContact CB-CE2 3.74Å; L559-F617 HydrophobicContact CD1-CD2 4.34Å; L559-F617 HydrophobicContact CD2-CD2 4.38Å; L559-F617 HydrophobicContact CD2-CE2 4.48Å; L559-F617 HydrophobicContact CG-CD2 4.38Å
560	T	97.5	Very high	94.6	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.031	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.5	170	-56.9	0	0	0	0	108.3	Q516 R547 L548 N616 F617	Q516-T560 WeakPolarHBondContact CG-OG1 3.34Å; R547-T560 HydrophobicContact CG-CG2 3.91Å; L548-T560 CarbonylContact O-C 3.45Å; L548-T560 WeakPolarHBondContact O-CA 3.3Å; T560-N616 WeakPolarHBondContact CB-OD1 3.25Å; T560-N616 HydrophobicContact CG2-CB 4.26Å; T560-N616 WeakPolarHBondContact CG2-OD1 3.43Å; T560-F617 PolarHBondContact O-N 2.98Å
561	L	97.9	Very high	94	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.1	174.6	-174.3	71.1	0	0	0	110	L548 I550 L559 L563 F606 V608 F617 C621	L548-L561 PolarHBondContact N-O 3.27Å; L548-L561 PolarHBondContact O-N 2.98Å; I550-L561 HydrophobicContact CD1-CB 3.93Å; I550-L561 HydrophobicContact CD1-CD2 3.69Å; I550-L561 HydrophobicContact CD1-CG 4.47Å; L559-L561 HydrophobicContact CD1-CB 4.05Å; L561-L563 HydrophobicContact CD2-CD2 4.47Å; L561-F606 HydrophobicContact CD1-CD2 4.47Å; L561-F606 HydrophobicContact CD2-CB 3.76Å; L561-F606 HydrophobicContact CD2-CD2 4.27Å; L561-F606 HydrophobicContact CD2-CG 4.28Å; L561-V608 HydrophobicContact CD1-CG2 4.43Å; L561-F617 CarbonylContact C-O 3.57Å; L561-F617 WeakPolarHBondContact CA-O 3.45Å; L561-F617 HydrophobicContact CD1-CB 4.27Å; L561-C621 HydrophobicContact CD2-CB 3.9Å
562	L	97.3	Very high	93.5	Very high	41 Å²	41	37.3 Å²	37.3	22%	0.215	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.6	168.2	-57.9	177.3	0	0	0	108	S546 R547 G564 N616 F617 I618 G619	S546-L562 WeakPolarHBondContact O-CA 3.42Å; R547-L562 HydrophobicContact CB-CD2 3.99Å; R547-L562 HydrophobicContact CG-CD2 3.64Å; L562-G564 PolarHBondContact O-N 3.44Å; L562-N616 HydrophobicContact CD1-CB 3.79Å; L562-N616 HydrophobicContact CG-CB 3.96Å; L562-F617 PolarHBondContact N-O 3.15Å; L562-I618 HydrophobicContact CB-CG1 4.33Å; L562-I618 HydrophobicContact CD1-CG1 4.3Å; L562-I618 WeakPolarHBondContact O-CA 3.42Å; L562-G619 PolarHBondContact O-N 3.3Å
563	L	97.6	Very high	92.7	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.037	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	117.4	175.2	-56.6	-176.1	0	0	0	109.4	S546 L561 I566 G619 C621 L628 A629 L632	S546-L563 PolarHBondContact O-N 2.86Å; L561-L563 HydrophobicContact CD2-CD2 4.47Å; L563-I566 HydrophobicContact CB-CD1 4.05Å; L563-I566 HydrophobicContact CB-CG1 4.22Å; L563-I566 HydrophobicContact CD1-CD1 4.31Å; L563-G619 CarbonylContact C-O 3.52Å; L563-G619 WeakPolarHBondContact CA-O 3.43Å; L563-C621 HydrophobicContact CD2-CB 3.54Å; L563-L628 HydrophobicContact CD1-CB 4.2Å; L563-L628 HydrophobicContact CD1-CD2 3.92Å; L563-L628 HydrophobicContact CD1-CG 3.88Å; L563-A629 HydrophobicContact CB-CB 4.36Å; L563-A629 HydrophobicContact CD1-CB 4.35Å; L563-L632 HydrophobicContact CD1-CD1 3.72Å
564	G	95.3	Very high	91.8	Very high	11 Å²	11	44 Å²	44	11%	0.113	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	152.4	-178.3	0	0	0	0	0	112.8	L562 I566 G619	L562-G564 PolarHBondContact O-N 3.44Å; G564-I566 VanDerWaalsContact C-N 3.3Å; G564-I566 PolarHBondContact O-N 2.86Å; G564-G619 PolarHBondContact N-O 3.27Å
565	G	94.5	Very high	90.7	Very high	4 Å²	4	39.6 Å²	39.6	4%	0.041	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	4.3	174	0	0	0	0	0	115.5	H641	G565-H641 PolarHBondContact O-N 2.94Å
566	I	97	Very high	89.3	Confident	13 Å²	13	39.5 Å²	39.5	7%	0.067	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	150.4	178.9	67.2	168.2	0	0	0	112.3	L563 G564 A629 L632 L633 S639 L653	L563-I566 HydrophobicContact CB-CD1 4.05Å; L563-I566 HydrophobicContact CB-CG1 4.22Å; L563-I566 HydrophobicContact CD1-CD1 4.31Å; G564-I566 VanDerWaalsContact C-N 3.3Å; G564-I566 PolarHBondContact O-N 2.86Å; I566-A629 HydrophobicContact CD1-CB 3.92Å; I566-A629 HydrophobicContact CG1-CB 4.45Å; I566-A629 HydrophobicContact CG2-CB 4.1Å; I566-L632 HydrophobicContact CD1-CD1 4.21Å; I566-L633 HydrophobicContact CG2-CD1 3.67Å; I566-L633 HydrophobicContact CG2-CD2 4.15Å; I566-L633 HydrophobicContact CG2-CG 3.97Å; I566-S639 CarbonylContact C-O 3.47Å; I566-S639 WeakPolarHBondContact CA-O 3.49Å; I566-L653 HydrophobicContact CG2-CD1 4.19Å; I566-L653 HydrophobicContact CG2-CD2 3.98Å
567	N	95.2	Very high	87.8	Confident	78 Å²	78	44.3 Å²	44.3	42%	0.417	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.7	160.8	-70.1	-42.9	0	0	0	108.1	G638 S639 H641	N567-G638 CarbonylContact O-C 3.52Å; N567-G638 WeakPolarHBondContact O-CA 3.36Å; N567-S639 PolarHBondContact N-O 3.36Å; N567-S639 PolarHBondContact O-N 3.31Å; N567-H641 PolarHBondContact OD1-CD2 3.37Å
568	C	94.4	Very high	86.1	Confident	12 Å²	12	47.9 Å²	47.9	8%	0.081	30%	0.298	C	S	.	.			trans	-117	139.7	177.6	-171.9	0	0	0	0	109.1	S546 R570 F637	S546-C568 VanDerWaalsContact OG-CB 3.3Å; S546-C568 WeakPolarHBondContact OG-CB 3.47Å; C568-R570 PolarHBondContact O-N 3.29Å; C568-F637 PolarHBondContact SG-O 3.01Å
569	P	92.5	Very high	84.5	Confident	8 Å²	8	50.4 Å²	50.4	5%	0.052	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-53.6	128.1	-179.4	-27.9	35.7	0	0	0	112	E585 P586 S588 F637 V667	P569-E585 WeakPolarHBondContact CA-OE2 3.01Å; P569-E585 HydrophobicContact CB-CB 4.03Å; P569-P586 VanDerWaalsContact CB-O 3.27Å; P569-P586 WeakPolarHBondContact CB-O 3.47Å; P569-S588 WeakPolarHBondContact O-CB 3.32Å; P569-F637 WeakPolarHBondContact CD-O 3.16Å; P569-V667 HydrophobicContact CG-CG1 3.66Å
570	R	89.3	Confident	83.1	Confident	124 Å²	124	53.4 Å²	53.4	47%	0.468	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-87.6	131.3	-168.7	-61.1	177.9	-61.5	169.5	-3.4	109.4	C568 R573 E585 S588	C568-R570 PolarHBondContact O-N 3.29Å; R570-R573 VanDerWaalsContact CZ-NH2 3.3Å; R570-E585 WeakPolarHBondContact CB-OE2 3.46Å; R570-E585 WeakPolarHBondContact CG-OE2 3.44Å; R570-E585 IonicContact CZ-OE1 3.69Å; R570-E585 PolarHBondContact N-OE2 3.08Å; R570-E585 IonicContact NE-OE1 3.83Å; R570-E585 PolarHBondContact NE-OE1 3.19Å; R570-E585 IonicContact NE-OE2 2.93Å; R570-E585 IonicContact NH2-OE1 3.6Å; R570-E585 PolarHBondContact NH2-OE1 3.11Å; R570-E585 PolarHBondContact O-N 3.33Å; R570-S588 WeakPolarHBondContact O-CB 3.43Å
571	P	87.1	Confident	81.8	Confident	34 Å²	34	59.2 Å²	59.2	22%	0.221	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-67.6	171.4	174	30.5	-35	0	0	0	110.4	A544 R573	A544-P571 HydrophobicContact CB-CG 4.17Å; P571-R573 WeakPolarHBondContact O-CG 3.47Å; P571-R573 PolarHBondContact O-N 3.48Å
572	L	84.5	Confident	80.8	Confident	95 Å²	95	60.5 Å²	60.5	50%	0.497	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-48.8	128.4	171	-172.1	79.9	0	0	0	110.2	E581 A582 A584	L572-E581 HydrophobicContact CD1-CB 4.13Å; L572-A582 WeakPolarHBondContact CD1-O 3.33Å; L572-A584 HydrophobicContact CB-CB 4.33Å
573	R	79.2	Confident	80.2	Confident	104 Å²	104	63.8 Å²	63.8	39%	0.392	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	142.9	-179.5	-73.9	179.2	-61.3	145.5	10.8	111.5	R570 P571 V575 E581 A582	R570-R573 VanDerWaalsContact CZ-NH2 3.3Å; P571-R573 WeakPolarHBondContact O-CG 3.47Å; P571-R573 PolarHBondContact O-N 3.48Å; R573-V575 PolarHBondContact O-N 3.21Å; R573-E581 CarbonylContact O-C 3.57Å; R573-E581 WeakPolarHBondContact O-CA 3.45Å; R573-A582 PolarHBondContact N-O 2.87Å; R573-A582 PolarHBondContact O-N 3Å
574	P	74.1	Confident	79.7	Confident	105 Å²	105	65.7 Å²	65.7	68%	0.682	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	131.9	167.9	25.9	-30.8	0	0	0	110.5
575	V	66.8	Low	79.5	Confident	82 Å²	82	68.2 Å²	68.2	50%	0.497	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.1	176.4	-175.5	0	0	0	0	108.9	R573 A580 A582	R573-V575 PolarHBondContact O-N 3.21Å; V575-A580 WeakPolarHBondContact CA-O 3.34Å; V575-A580 PolarHBondContact N-O 3.16Å; V575-A582 HydrophobicContact CG2-CB 3.29Å
576	G	59.7	Low	79.4	Confident	67 Å²	67	71.6 Å²	71.6	69%	0.691	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	-179.3	179	0	0	0	0	0	114.1	G578	G576-G578 VanDerWaalsContact C-N 3.31Å; G576-G578 PolarHBondContact O-N 3.07Å
577	S	59.1	Low	79.2	Confident	137 Å²	137	73.5 Å²	73.5	96%	0.958	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-7.1	-177	48.3	0	0	0	0	114.3
578	G	58.8	Low	79.1	Confident	75 Å²	75	70 Å²	70	77%	0.773	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	3.5	-174.7	0	0	0	0	0	115.7	G576 A580	G576-G578 VanDerWaalsContact C-N 3.31Å; G576-G578 PolarHBondContact O-N 3.07Å; G578-A580 VanDerWaalsContact C-N 3.26Å; G578-A580 PolarHBondContact O-N 3.2Å
579	G	59.6	Low	79.1	Confident	57 Å²	57	73.5 Å²	73.5	59%	0.588	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	6.5	179.3	0	0	0	0	0	115.4	E581	G579-E581 PolarHBondContact O-N 2.77Å
580	A	67.2	Low	79.2	Confident	63 Å²	63	77.7 Å²	77.7	52%	0.521	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	133.8	170	0	0	0	0	0	109.5	V575 G578	V575-A580 WeakPolarHBondContact CA-O 3.34Å; V575-A580 PolarHBondContact N-O 3.16Å; G578-A580 VanDerWaalsContact C-N 3.26Å; G578-A580 PolarHBondContact O-N 3.2Å
581	E	71.7	Confident	79.6	Confident	127 Å²	127	71.8 Å²	71.8	59%	0.593	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.4	-180	-63.1	-176.2	153.9	0	0	110	L572 R573 G579	L572-E581 HydrophobicContact CD1-CB 4.13Å; R573-E581 CarbonylContact O-C 3.57Å; R573-E581 WeakPolarHBondContact O-CA 3.45Å; G579-E581 PolarHBondContact O-N 2.77Å
582	A	76.2	Confident	80	Confident	27 Å²	27	73.1 Å²	73.1	22%	0.223	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	128.9	165	0	0	0	0	0	107.6	L572 R573 V575	L572-A582 WeakPolarHBondContact CD1-O 3.33Å; R573-A582 PolarHBondContact N-O 2.87Å; R573-A582 PolarHBondContact O-N 3Å; V575-A582 HydrophobicContact CG2-CB 3.29Å
583	P	84.2	Confident	80.5	Confident	109 Å²	109	72.2 Å²	72.2	71%	0.708	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-58.8	149.9	177	26.6	-34.1	0	0	0	110.4	E585	P583-E585 PolarHBondContact O-N 2.79Å
584	A	87.3	Confident	81.4	Confident	47 Å²	47	68.8 Å²	68.8	39%	0.388	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-63.8	134.2	173.3	0	0	0	0	0	109.6	L572	L572-A584 HydrophobicContact CB-CB 4.33Å
585	E	90.8	Very high	82.5	Confident	65 Å²	65	63.8 Å²	63.8	30%	0.304	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-69.6	146.8	173.9	-70.9	168.1	178.7	0	0	109.5	P569 R570 P583 F587 S588	P569-E585 WeakPolarHBondContact CA-OE2 3.01Å; P569-E585 HydrophobicContact CB-CB 4.03Å; R570-E585 WeakPolarHBondContact CB-OE2 3.46Å; R570-E585 WeakPolarHBondContact CG-OE2 3.44Å; R570-E585 IonicContact CZ-OE1 3.69Å; R570-E585 PolarHBondContact N-OE2 3.08Å; R570-E585 IonicContact NE-OE1 3.83Å; R570-E585 PolarHBondContact NE-OE1 3.19Å; R570-E585 IonicContact NE-OE2 2.93Å; R570-E585 IonicContact NH2-OE1 3.6Å; R570-E585 PolarHBondContact NH2-OE1 3.11Å; R570-E585 PolarHBondContact O-N 3.33Å; P583-E585 PolarHBondContact O-N 2.79Å; E585-F587 PolarHBondContact O-N 3.02Å; E585-S588 WeakPolarHBondContact O-CB 3.49Å; E585-S588 PolarHBondContact O-N 3.35Å; E585-S588 VanDerWaalsContact O-N 3.12Å; E585-S588 PolarHBondContact O-OG 2.83Å
586	P	92	Very high	83.9	Confident	75 Å²	75	63.1 Å²	63.1	49%	0.487	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	140.8	175.7	-27.9	35	0	0	0	111.9	P569 S588 L670	P569-P586 VanDerWaalsContact CB-O 3.27Å; P569-P586 WeakPolarHBondContact CB-O 3.47Å; P586-S588 PolarHBondContact O-N 2.85Å; P586-L670 HydrophobicContact CB-CD1 3.88Å; P586-L670 HydrophobicContact CB-CD2 4.27Å; P586-L670 HydrophobicContact CG-CD1 4.14Å
587	F	93.7	Very high	85.5	Confident	52 Å²	52	63.5 Å²	63.5	23%	0.228	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	6.1	-177.7	-54.6	-80.8	0	0	0	116.8	E585 T589 E590 A591 F637 G666 V667 L670	E585-F587 PolarHBondContact O-N 3.02Å; F587-T589 PolarHBondContact O-N 2.72Å; F587-E590 VanDerWaalsContact C-OE2 3.31Å; F587-E590 WeakPolarHBondContact CA-OE2 2.92Å; F587-E590 PolarHBondContact O-N 3.09Å; F587-A591 VanDerWaalsContact O-CB 3.29Å; F587-A591 WeakPolarHBondContact O-CB 3.34Å; F587-A591 PolarHBondContact O-N 2.54Å; F587-F637 HydrophobicContact CB-CD1 4.14Å; F587-F637 HydrophobicContact CB-CE1 4.36Å; F587-F637 HydrophobicContact CD1-CE1 4.43Å; F587-G666 WeakPolarHBondContact CE2-O 3.31Å; F587-G666 VanDerWaalsContact CZ-O 3.32Å; F587-G666 WeakPolarHBondContact CZ-O 3.31Å; F587-V667 HydrophobicContact CD2-CG1 4.12Å; F587-L670 HydrophobicContact CD2-CD1 4.47Å; F587-L670 HydrophobicContact CE2-CD1 4.23Å; F587-L670 HydrophobicContact CE2-CD2 3.74Å; F587-L670 HydrophobicContact CE2-CG 3.88Å
588	S	93.6	Very high	87.2	Confident	4 Å²	4	60.7 Å²	60.7	3%	0.028	36%	0.363	C	S	.	.	H	α-helix	trans	-65.1	-35	179.7	57.5	0	0	0	0	114.3	P569 R570 E585 P586 M592	P569-S588 WeakPolarHBondContact O-CB 3.32Å; R570-S588 WeakPolarHBondContact O-CB 3.43Å; E585-S588 WeakPolarHBondContact O-CB 3.49Å; E585-S588 PolarHBondContact O-N 3.35Å; E585-S588 VanDerWaalsContact O-N 3.12Å; E585-S588 PolarHBondContact O-OG 2.83Å; P586-S588 PolarHBondContact O-N 2.85Å; S588-M592 WeakPolarHBondContact O-CB 3.17Å; S588-M592 PolarHBondContact O-N 3.02Å; S588-M592 VanDerWaalsContact O-N 3.11Å
589	T	93.7	Very high	89	Confident	87 Å²	87	57.1 Å²	57.1	53%	0.534	33%	0.326	S	S	.	.	H	α-helix	trans	-71.7	-41.7	177.8	-60.1	0	0	0	0	110.6	F587 M592 Q593	F587-T589 PolarHBondContact O-N 2.72Å; T589-M592 PolarHBondContact O-N 2.89Å; T589-Q593 VanDerWaalsContact O-CB 3.28Å; T589-Q593 WeakPolarHBondContact O-CB 3.41Å; T589-Q593 PolarHBondContact O-N 2.79Å
590	E	95.4	Very high	90.8	Very high	96 Å²	96	55 Å²	55	45%	0.449	30%	0.301	S	S	.	.	H	α-helix	trans	-63.7	-45.3	177	-65.6	81.7	170.6	0	0	110.7	F587 M592 Q593 F594 F637	F587-E590 VanDerWaalsContact C-OE2 3.31Å; F587-E590 WeakPolarHBondContact CA-OE2 2.92Å; F587-E590 PolarHBondContact O-N 3.09Å; E590-M592 PolarHBondContact O-N 2.78Å; E590-Q593 PolarHBondContact O-N 2.88Å; E590-F594 VanDerWaalsContact O-CB 3.24Å; E590-F594 WeakPolarHBondContact O-CB 3.39Å; E590-F594 PolarHBondContact O-N 3.5Å; E590-F637 HydrophobicContact CB-CD1 4.5Å; E590-F637 HydrophobicContact CB-CE1 3.7Å; E590-F637 HydrophobicContact CB-CZ 3.99Å
591	A	97.1	Very high	92.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.7	-43.8	175.2	0	0	0	0	0	112.3	F587 T595 L632 F637	F587-A591 VanDerWaalsContact O-CB 3.29Å; F587-A591 WeakPolarHBondContact O-CB 3.34Å; F587-A591 PolarHBondContact O-N 2.54Å; A591-T595 WeakPolarHBondContact O-CB 3.32Å; A591-T595 PolarHBondContact O-N 2.94Å; A591-T595 VanDerWaalsContact O-N 3.08Å; A591-T595 PolarHBondContact O-OG1 3.35Å; A591-L632 HydrophobicContact CB-CD2 4.48Å; A591-F637 HydrophobicContact CB-CB 3.71Å; A591-F637 HydrophobicContact CB-CD1 4.18Å; A591-F637 HydrophobicContact CB-CG 3.91Å
592	M	96.1	Very high	93.3	Very high	61 Å²	61	49.8 Å²	49.8	30%	0.3	26%	0.264	S	S	.	.	H	α-helix	trans	-64.6	-45.3	175.8	-176.2	-179.7	65.9	0	0	111.3	V542 S588 T589 E590 T595 R596	V542-M592 HydrophobicContact CG1-CG 4.05Å; S588-M592 WeakPolarHBondContact O-CB 3.17Å; S588-M592 PolarHBondContact O-N 3.02Å; S588-M592 VanDerWaalsContact O-N 3.11Å; T589-M592 PolarHBondContact O-N 2.89Å; E590-M592 PolarHBondContact O-N 2.78Å; M592-T595 PolarHBondContact O-N 3.07Å; M592-R596 WeakPolarHBondContact O-CB 3.47Å; M592-R596 PolarHBondContact O-N 3Å
593	Q	94.5	Very high	94.2	Very high	77 Å²	77	54 Å²	54	36%	0.36	28%	0.28	S	S	.	.	H	α-helix	trans	-66.4	-40.6	179.7	-177.2	54	43.4	0	0	111.7	T589 E590 T595 R596 D597	T589-Q593 VanDerWaalsContact O-CB 3.28Å; T589-Q593 WeakPolarHBondContact O-CB 3.41Å; T589-Q593 PolarHBondContact O-N 2.79Å; E590-Q593 PolarHBondContact O-N 2.88Å; Q593-T595 PolarHBondContact O-N 3.28Å; Q593-R596 WeakPolarHBondContact O-CB 3.44Å; Q593-R596 PolarHBondContact O-N 3.42Å; Q593-D597 PolarHBondContact NE2-OD1 3.38Å; Q593-D597 PolarHBondContact NE2-OD2 3.08Å; Q593-D597 PolarHBondContact O-N 3.39Å
594	F	96.9	Very high	94.9	Very high	32 Å²	32	49 Å²	49	14%	0.14	25%	0.247	C	C	.	.	H	α-helix	trans	-57.1	-50	173.4	177.3	-95.8	0	0	0	111	E590 R596 D597 K598 L631 L632 E635 F637	E590-F594 VanDerWaalsContact O-CB 3.24Å; E590-F594 WeakPolarHBondContact O-CB 3.39Å; E590-F594 PolarHBondContact O-N 3.5Å; F594-R596 VanDerWaalsContact C-N 3.3Å; F594-R596 PolarHBondContact O-N 2.95Å; F594-D597 PolarHBondContact O-N 3.22Å; F594-K598 HydrophobicContact CD1-CG 4.31Å; F594-K598 HydrophobicContact CE1-CG 4.07Å; F594-K598 HydrophobicContact CZ-CD 4.45Å; F594-K598 HydrophobicContact CZ-CG 4.25Å; F594-K598 VanDerWaalsContact O-CG 3.29Å; F594-K598 WeakPolarHBondContact O-CG 3.47Å; F594-K598 PolarHBondContact O-N 3.48Å; F594-L631 HydrophobicContact CE1-CB 4.13Å; F594-L631 HydrophobicContact CZ-CB 4.26Å; F594-L632 HydrophobicContact CD1-CD2 3.72Å; F594-L632 HydrophobicContact CD1-CG 4.34Å; F594-L632 HydrophobicContact CE1-CD2 4.22Å; F594-L632 HydrophobicContact CE1-CG 4.4Å; F594-E635 HydrophobicContact CD2-CG 4.36Å; F594-E635 HydrophobicContact CE2-CG 3.61Å; F594-E635 HydrophobicContact CZ-CG 3.69Å; F594-F637 HydrophobicContact CB-CD2 3.97Å; F594-F637 HydrophobicContact CB-CE2 3.65Å; F594-F637 HydrophobicContact CD1-CD2 4.12Å; F594-F637 HydrophobicContact CD1-CE2 4.36Å; F594-F637 HydrophobicContact CD2-CD2 4.37Å; F594-F637 AromaticContact CD2-CE2 3.82Å; F594-F637 HydrophobicContact CD2-CE2 3.82Å; F594-F637 AromaticContact CG-CD2 3.91Å; F594-F637 HydrophobicContact CG-CD2 3.91Å; F594-F637 AromaticContact CG-CE2 3.7Å; F594-F637 HydrophobicContact CG-CE2 3.7Å
595	T	97.8	Very high	95.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.2	-42.7	177.3	-62.7	0	0	0	0	111.7	V542 G545 L548 A591 M592 Q593 K598 C599 L628	V542-T595 HydrophobicContact CG1-CG2 3.65Å; V542-T595 HydrophobicContact CG2-CG2 4.22Å; G545-T595 WeakPolarHBondContact CA-OG1 3.16Å; G545-T595 WeakPolarHBondContact O-CG2 3.38Å; G545-T595 PolarHBondContact O-OG1 3.44Å; L548-T595 HydrophobicContact CD2-CG2 3.55Å; A591-T595 WeakPolarHBondContact O-CB 3.32Å; A591-T595 PolarHBondContact O-N 2.94Å; A591-T595 VanDerWaalsContact O-N 3.08Å; A591-T595 PolarHBondContact O-OG1 3.35Å; M592-T595 PolarHBondContact O-N 3.07Å; Q593-T595 PolarHBondContact O-N 3.28Å; T595-K598 PolarHBondContact O-N 3.08Å; T595-C599 PolarHBondContact O-N 2.85Å; T595-C599 PolarHBondContact O-SG 2.82Å; T595-L628 HydrophobicContact CG2-CD2 4.01Å
596	R	95.7	Very high	95.7	Very high	67 Å²	67	47.3 Å²	47.3	25%	0.253	23%	0.231	S	C	.	.	H	α-helix	trans	-60.5	-48.2	176.8	-172.7	179.7	170.9	76.1	4.3	111.5	E344 M592 Q593 F594 K598 C599 F600	E344-R596 IonicContact OE2-CZ 3.46Å; E344-R596 IonicContact OE2-NH2 3.81Å; E344-R596 PolarHBondContact OE2-NH2 3.5Å; M592-R596 WeakPolarHBondContact O-CB 3.47Å; M592-R596 PolarHBondContact O-N 3Å; Q593-R596 WeakPolarHBondContact O-CB 3.44Å; Q593-R596 PolarHBondContact O-N 3.42Å; F594-R596 VanDerWaalsContact C-N 3.3Å; F594-R596 PolarHBondContact O-N 2.95Å; R596-K598 VanDerWaalsContact C-N 3.28Å; R596-K598 PolarHBondContact O-N 2.92Å; R596-C599 PolarHBondContact O-N 2.77Å; R596-F600 HydrophobicContact CB-CB 4.28Å; R596-F600 HydrophobicContact CG-CB 3.59Å; R596-F600 HydrophobicContact CG-CD1 4.1Å; R596-F600 HydrophobicContact CG-CG 3.94Å; R596-F600 VanDerWaalsContact CZ-CD1 3.43Å; R596-F600 VanDerWaalsContact NH1-CZ 3.28Å; R596-F600 VanDerWaalsContact NH2-CE1 3.25Å; R596-F600 WeakPolarHBondContact O-CB 3.24Å; R596-F600 PolarHBondContact O-N 2.81Å
597	D	93.8	Very high	95.9	Very high	76 Å²	76	44.3 Å²	44.3	41%	0.406	21%	0.211	S	C	.	.	H	α-helix	trans	-63.4	-34.4	178.5	-75.2	-28.6	0	0	0	112.4	Q593 F594 K602	Q593-D597 PolarHBondContact NE2-OD1 3.38Å; Q593-D597 PolarHBondContact NE2-OD2 3.08Å; Q593-D597 PolarHBondContact O-N 3.39Å; F594-D597 PolarHBondContact O-N 3.22Å; D597-K602 PolarHBondContact O-NZ 2.75Å
598	K	94.7	Very high	96	Very high	77 Å²	77	42.2 Å²	42.2	34%	0.335	20%	0.202	S	C	.	.	H	α-helix	trans	-69.8	-50	175.6	-68.8	-68.6	-175.5	178.1	0	112.3	F594 T595 R596 K602 L628	F594-K598 HydrophobicContact CD1-CG 4.31Å; F594-K598 HydrophobicContact CE1-CG 4.07Å; F594-K598 HydrophobicContact CZ-CD 4.45Å; F594-K598 HydrophobicContact CZ-CG 4.25Å; F594-K598 VanDerWaalsContact O-CG 3.29Å; F594-K598 WeakPolarHBondContact O-CG 3.47Å; F594-K598 PolarHBondContact O-N 3.48Å; T595-K598 PolarHBondContact O-N 3.08Å; R596-K598 VanDerWaalsContact C-N 3.28Å; R596-K598 PolarHBondContact O-N 2.92Å; K598-K602 VanDerWaalsContact O-CD 3.31Å; K598-K602 WeakPolarHBondContact O-CD 3.37Å; K598-K602 PolarHBondContact O-NZ 3.28Å; K598-L628 HydrophobicContact CB-CD1 4.33Å
599	C	96.4	Very high	96	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-134.5	-7.1	-163.5	69.5	0	0	0	0	118	V539 T595 R596 Q601 K602 V604 V623	V539-C599 WeakPolarHBondContact CB-O 3.44Å; V539-C599 HydrophobicContact CG2-CB 4.1Å; T595-C599 PolarHBondContact O-N 2.85Å; T595-C599 PolarHBondContact O-SG 2.82Å; R596-C599 PolarHBondContact O-N 2.77Å; C599-Q601 PolarHBondContact O-N 2.91Å; C599-K602 WeakPolarHBondContact O-CB 3.47Å; C599-K602 PolarHBondContact O-N 3.27Å; C599-V604 HydrophobicContact CB-CG1 3.74Å; C599-V623 HydrophobicContact CB-CG2 3.76Å
600	F	97.3	Very high	96	Very high	13 Å²	13	43.6 Å²	43.6	6%	0.057	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	130.1	-176.7	180	-116.4	0	0	0	112.4	E344 E540 V542 R596 K602	E344-F600 HydrophobicContact CB-CE1 3.95Å; E344-F600 HydrophobicContact CG-CE1 3.73Å; E344-F600 HydrophobicContact CG-CZ 4.35Å; E540-F600 WeakPolarHBondContact O-CE2 3.37Å; V542-F600 HydrophobicContact CG2-CB 4.27Å; V542-F600 HydrophobicContact CG2-CD2 4.28Å; R596-F600 HydrophobicContact CB-CB 4.28Å; R596-F600 HydrophobicContact CG-CB 3.59Å; R596-F600 HydrophobicContact CG-CD1 4.1Å; R596-F600 HydrophobicContact CG-CG 3.94Å; R596-F600 VanDerWaalsContact CZ-CD1 3.43Å; R596-F600 VanDerWaalsContact NH1-CZ 3.28Å; R596-F600 VanDerWaalsContact NH2-CE1 3.25Å; R596-F600 WeakPolarHBondContact O-CB 3.24Å; R596-F600 PolarHBondContact O-N 2.81Å; F600-K602 PolarHBondContact O-N 3.13Å; F600-K602 VanDerWaalsContact O-N 3.12Å
601	Q	96.1	Very high	96	Very high	9 Å²	9	40.1 Å²	40.1	4%	0.042	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	20.7	-171.7	-55	-162.5	-15.5	0	0	114.9	I345 R404 R408 V539 C599	I345-Q601 PolarHBondContact O-NE2 2.83Å; I345-Q601 PolarHBondContact O-OE1 2.84Å; R404-Q601 VanDerWaalsContact CZ-CD 3.43Å; R408-Q601 WeakPolarHBondContact CD-O 3.3Å; R408-Q601 HydrophobicContact CG-CB 4.31Å; R408-Q601 WeakPolarHBondContact CG-O 3.23Å; R408-Q601 PolarHBondContact NH1-O 3.34Å; V539-Q601 VanDerWaalsContact O-CA 3.27Å; V539-Q601 WeakPolarHBondContact O-CA 3.28Å; V539-Q601 PolarHBondContact O-N 3.24Å; C599-Q601 PolarHBondContact O-N 2.91Å
602	K	95.4	Very high	95.8	Very high	71 Å²	71	42.2 Å²	42.2	31%	0.309	21%	0.206	S	C	.	.	S	Bend	trans	-104.7	157	172.5	-61.5	178.9	-162	164.2	0	109.9	V412 V538 V539 D597 K598 C599 F600	V412-K602 HydrophobicContact CG1-CG 4.33Å; V538-K602 WeakPolarHBondContact CA-O 3.33Å; V539-K602 PolarHBondContact N-O 2.84Å; V539-K602 VanDerWaalsContact N-O 3.13Å; D597-K602 PolarHBondContact O-NZ 2.75Å; K598-K602 VanDerWaalsContact O-CD 3.31Å; K598-K602 WeakPolarHBondContact O-CD 3.37Å; K598-K602 PolarHBondContact O-NZ 3.28Å; C599-K602 WeakPolarHBondContact O-CB 3.47Å; C599-K602 PolarHBondContact O-N 3.27Å; F600-K602 PolarHBondContact O-N 3.13Å; F600-K602 VanDerWaalsContact O-N 3.12Å
603	E	96.2	Very high	95.6	Very high	117 Å²	117	49.1 Å²	49.1	55%	0.547	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	134.7	169.2	-170.1	170.2	103.9	0	0	109	V536 G537	V536-E603 HydrophobicContact CG1-CG 3.42Å; V536-E603 VanDerWaalsContact CG1-CG 3.42Å; G537-E603 CarbonylContact O-C 3.57Å; G537-E603 WeakPolarHBondContact O-CA 3.39Å
604	V	97.9	Very high	95.3	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.024	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	153.9	177.6	-61.5	0	0	0	0	109.2	G537 V539 I550 C599 V623	G537-V604 PolarHBondContact N-O 2.89Å; G537-V604 PolarHBondContact O-N 3.38Å; V539-V604 HydrophobicContact CG2-CB 4.38Å; V539-V604 HydrophobicContact CG2-CG1 3.75Å; V539-V604 HydrophobicContact CG2-CG2 3.65Å; I550-V604 HydrophobicContact CD1-CG2 4.32Å; C599-V604 HydrophobicContact CB-CG1 3.74Å; V604-V623 HydrophobicContact CG1-CG2 4.03Å
605	E	98.2	Very high	95.1	Very high	75 Å²	75	46.4 Å²	46.4	35%	0.35	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	145	163	-62	179.3	167.2	0	0	108.4	R534 S535 V536 C621 F622	R534-E605 WeakPolarHBondContact CD-OE2 3.32Å; R534-E605 IonicContact CZ-OE2 3.83Å; R534-E605 IonicContact NH1-OE2 3.34Å; R534-E605 PolarHBondContact NH1-OE2 2.82Å; S535-E605 CarbonylContact O-C 3.52Å; S535-E605 VanDerWaalsContact O-CA 3.26Å; S535-E605 WeakPolarHBondContact O-CA 3.32Å; V536-E605 HydrophobicContact CG2-CG 4.46Å; E605-C621 CarbonylContact O-C 3.57Å; E605-F622 HydrophobicContact CB-CB 4.23Å; E605-F622 HydrophobicContact CB-CD2 4.38Å; E605-F622 PolarHBondContact N-O 3.12Å; E605-F622 VanDerWaalsContact N-O 3.11Å; E605-F622 PolarHBondContact O-N 3.37Å
606	F	97.9	Very high	95	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	157.6	172.9	71.3	-80	0	0	0	110.4	S535 I550 V552 L559 L561 V608 S620	S535-F606 PolarHBondContact N-O 3.02Å; S535-F606 WeakPolarHBondContact O-CD1 3.38Å; S535-F606 PolarHBondContact O-N 3.25Å; I550-F606 HydrophobicContact CD1-CB 4.29Å; I550-F606 HydrophobicContact CD1-CD1 4.11Å; I550-F606 HydrophobicContact CD1-CG 4.06Å; I550-F606 HydrophobicContact CG2-CD1 4.16Å; I550-F606 HydrophobicContact CG2-CE1 3.92Å; V552-F606 HydrophobicContact CG1-CE1 4.26Å; V552-F606 HydrophobicContact CG1-CZ 4.15Å; V552-F606 HydrophobicContact CG2-CE1 4.02Å; V552-F606 HydrophobicContact CG2-CZ 3.64Å; L559-F606 HydrophobicContact CD1-CE2 4.33Å; L559-F606 HydrophobicContact CD2-CE2 3.95Å; L559-F606 HydrophobicContact CD2-CZ 4.02Å; L561-F606 HydrophobicContact CD1-CD2 4.47Å; L561-F606 HydrophobicContact CD2-CB 3.76Å; L561-F606 HydrophobicContact CD2-CD2 4.27Å; L561-F606 HydrophobicContact CD2-CG 4.28Å; F606-V608 HydrophobicContact CD2-CG2 3.99Å; F606-V608 HydrophobicContact CE2-CG2 3.84Å; F606-S620 CarbonylContact C-O 3.54Å; F606-S620 WeakPolarHBondContact CA-O 3.47Å; F606-S620 WeakPolarHBondContact CB-O 3.3Å
607	E	95.7	Very high	95	Very high	13 Å²	13	43.8 Å²	43.8	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	154.3	171.8	67.1	-173.1	172.9	0	0	109.7	G619 S620 F622 K648 Y649	E607-G619 CarbonylContact O-C 3.6Å; E607-G619 VanDerWaalsContact O-CA 3.31Å; E607-G619 WeakPolarHBondContact O-CA 3.39Å; E607-S620 PolarHBondContact N-O 2.84Å; E607-S620 PolarHBondContact O-N 3.11Å; E607-F622 HydrophobicContact CG-CE2 4.14Å; E607-K648 VanDerWaalsContact CD-NZ 3.25Å; E607-K648 WeakPolarHBondContact OE1-CE 3.48Å; E607-K648 IonicContact OE1-NZ 2.63Å; E607-K648 PolarHBondContact OE1-NZ 3.48Å; E607-K648 VanDerWaalsContact OE1-NZ 3.09Å; E607-K648 IonicContact OE2-NZ 3.15Å; E607-K648 PolarHBondContact OE2-NZ 3.34Å; E607-Y649 WeakPolarHBondContact OE1-CE2 3.43Å; E607-Y649 PolarHBondContact OE1-OH 2.99Å
608	V	95.6	Very high	95.1	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.048	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.8	-172.5	171.5	0	0	0	0	108.8	L526 L529 Q530 L561 F606 F617	L526-V608 HydrophobicContact CD1-CG1 3.47Å; L526-V608 VanDerWaalsContact CD1-CG1 3.47Å; L529-V608 HydrophobicContact CB-CB 4.14Å; L529-V608 HydrophobicContact CB-CG1 4.5Å; L529-V608 HydrophobicContact CB-CG2 4.15Å; L529-V608 HydrophobicContact CD1-CG2 4.29Å; Q530-V608 WeakPolarHBondContact CG-O 3.36Å; L561-V608 HydrophobicContact CD1-CG2 4.43Å; F606-V608 HydrophobicContact CD2-CG2 3.99Å; F606-V608 HydrophobicContact CE2-CG2 3.84Å; V608-F617 HydrophobicContact CG1-CB 4.19Å; V608-F617 HydrophobicContact CG1-CD1 3.56Å; V608-F617 HydrophobicContact CG1-CE1 4.43Å; V608-F617 HydrophobicContact CG1-CG 4.33Å; V608-F617 HydrophobicContact CG2-CB 4.26Å; V608-F617 HydrophobicContact CG2-CD1 4.29Å
609	D	93.6	Very high	95.2	Very high	72 Å²	72	38.9 Å²	38.9	39%	0.385	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-41.9	177.8	-59.7	-43	0	0	0	111.1	Q530 I618 G619	Q530-D609 PolarHBondContact NE2-O 2.73Å; D609-I618 PolarHBondContact N-O 3.22Å; D609-G619 WeakPolarHBondContact OD2-CA 3.29Å
610	S	94.3	Very high	95.2	Very high	48 Å²	48	39 Å²	39	34%	0.336	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	-179.7	-176.6	62.6	0	0	0	0	113.2	F617 I618	S610-F617 CarbonylContact O-C 3.58Å; S610-F617 WeakPolarHBondContact O-CA 3.3Å; S610-I618 PolarHBondContact N-O 2.93Å; S610-I618 VanDerWaalsContact N-O 3.13Å; S610-I618 PolarHBondContact O-N 3.05Å
611	V	94.6	Very high	95.3	Very high	23 Å²	23	38.4 Å²	38.4	14%	0.139	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	134.8	174.3	159.7	0	0	0	0	109.4	K523 L526 N616 F617	K523-V611 HydrophobicContact CG-CG1 4.26Å; L526-V611 HydrophobicContact CB-CG2 4.19Å; L526-V611 HydrophobicContact CD1-CG2 4.16Å; L526-V611 HydrophobicContact CD2-CB 4.25Å; L526-V611 HydrophobicContact CD2-CG2 4.29Å; L526-V611 HydrophobicContact CG-CG2 4.45Å; V611-N616 WeakPolarHBondContact CA-O 3.39Å; V611-F617 HydrophobicContact CG2-CB 4.47Å; V611-F617 HydrophobicContact CG2-CD1 3.14Å; V611-F617 HydrophobicContact CG2-CD2 4.42Å; V611-F617 HydrophobicContact CG2-CE1 3.28Å; V611-F617 HydrophobicContact CG2-CG 3.8Å; V611-F617 HydrophobicContact CG2-CZ 4.02Å
612	D	92.6	Very high	95.4	Very high	43 Å²	43	38.2 Å²	38.2	23%	0.23	20%	0.196	C	C	.	.			trans	-77.3	177.8	175.4	76.3	9.5	0	0	0	112.8	A614 G615 N616 I618	D612-A614 PolarHBondContact O-N 3.16Å; D612-A614 VanDerWaalsContact OD1-C 3.31Å; D612-A614 VanDerWaalsContact OD1-CA 3.32Å; D612-A614 WeakPolarHBondContact OD1-CA 3.49Å; D612-A614 WeakPolarHBondContact OD1-CB 3.45Å; D612-A614 PolarHBondContact OD1-N 3.09Å; D612-G615 PolarHBondContact O-N 3.41Å; D612-G615 PolarHBondContact OD1-N 3.09Å; D612-N616 PolarHBondContact N-O 3.02Å; D612-N616 PolarHBondContact OD1-N 2.95Å; D612-N616 WeakPolarHBondContact OD2-CB 3.36Å; D612-N616 PolarHBondContact OD2-ND2 2.96Å; D612-I618 HydrophobicContact CB-CD1 4.23Å
613	K	91.4	Very high	95.3	Very high	206 Å²	206	36.1 Å²	36.1	90%	0.896	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.4	178.8	-63.8	-177.9	-177.6	177.7	0	113.5	A519	A519-K613 VanDerWaalsContact CB-O 3.3Å; A519-K613 WeakPolarHBondContact CB-O 2.95Å
614	A	89.7	Confident	95	Very high	52 Å²	52	34.5 Å²	34.5	43%	0.43	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-6.7	179.3	0	0	0	0	0	113	G517 D612	G517-A614 CarbonylContact C-O 3.59Å; G517-A614 VanDerWaalsContact CA-O 3.3Å; G517-A614 WeakPolarHBondContact CA-O 3.35Å; D612-A614 PolarHBondContact O-N 3.16Å; D612-A614 VanDerWaalsContact OD1-C 3.31Å; D612-A614 VanDerWaalsContact OD1-CA 3.32Å; D612-A614 WeakPolarHBondContact OD1-CA 3.49Å; D612-A614 WeakPolarHBondContact OD1-CB 3.45Å; D612-A614 PolarHBondContact OD1-N 3.09Å
615	G	92.1	Very high	94.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	85.9	16.2	-177.4	0	0	0	0	0	114.3	S522 D612	S522-G615 WeakPolarHBondContact CB-O 3.42Å; S522-G615 PolarHBondContact OG-O 3.23Å; D612-G615 PolarHBondContact O-N 3.41Å; D612-G615 PolarHBondContact OD1-N 3.09Å
616	N	95.5	Very high	94.4	Very high	12 Å²	12	39.4 Å²	39.4	6%	0.064	24%	0.238	C	C	.	.			trans	-82	138.6	166.9	-46.8	-74.1	0	0	0	109.1	R547 T560 L562 V611 D612	R547-N616 PolarHBondContact NH2-OD1 3.43Å; R547-N616 VanDerWaalsContact NH2-OD1 3.12Å; T560-N616 WeakPolarHBondContact CB-OD1 3.25Å; T560-N616 HydrophobicContact CG2-CB 4.26Å; T560-N616 WeakPolarHBondContact CG2-OD1 3.43Å; L562-N616 HydrophobicContact CD1-CB 3.79Å; L562-N616 HydrophobicContact CG-CB 3.96Å; V611-N616 WeakPolarHBondContact CA-O 3.39Å; D612-N616 PolarHBondContact N-O 3.02Å; D612-N616 PolarHBondContact OD1-N 2.95Å; D612-N616 WeakPolarHBondContact OD2-CB 3.36Å; D612-N616 PolarHBondContact OD2-ND2 2.96Å
617	F	97.1	Very high	94.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	139.4	175.6	-65.5	-91	0	0	0	109.2	L515 S522 F525 L526 L529 L559 T560 L561 L562 V608 S610 V611	L515-F617 HydrophobicContact CB-CE2 4.12Å; L515-F617 HydrophobicContact CD1-CE2 3.9Å; L515-F617 HydrophobicContact CD1-CZ 3.92Å; S522-F617 WeakPolarHBondContact O-CZ 3.48Å; F525-F617 HydrophobicContact CB-CZ 4.23Å; L526-F617 HydrophobicContact CB-CE1 4.32Å; L526-F617 HydrophobicContact CD1-CD1 4.5Å; L529-F617 HydrophobicContact CD1-CD1 4.01Å; L529-F617 HydrophobicContact CD1-CE1 3.55Å; L529-F617 HydrophobicContact CD1-CZ 3.88Å; L559-F617 HydrophobicContact CB-CD2 3.71Å; L559-F617 HydrophobicContact CB-CE2 3.74Å; L559-F617 HydrophobicContact CD1-CD2 4.34Å; L559-F617 HydrophobicContact CD2-CD2 4.38Å; L559-F617 HydrophobicContact CD2-CE2 4.48Å; L559-F617 HydrophobicContact CG-CD2 4.38Å; T560-F617 PolarHBondContact O-N 2.98Å; L561-F617 CarbonylContact C-O 3.57Å; L561-F617 WeakPolarHBondContact CA-O 3.45Å; L561-F617 HydrophobicContact CD1-CB 4.27Å; L562-F617 PolarHBondContact N-O 3.15Å; V608-F617 HydrophobicContact CG1-CB 4.19Å; V608-F617 HydrophobicContact CG1-CD1 3.56Å; V608-F617 HydrophobicContact CG1-CE1 4.43Å; V608-F617 HydrophobicContact CG1-CG 4.33Å; V608-F617 HydrophobicContact CG2-CB 4.26Å; V608-F617 HydrophobicContact CG2-CD1 4.29Å; S610-F617 CarbonylContact O-C 3.58Å; S610-F617 WeakPolarHBondContact O-CA 3.3Å; V611-F617 HydrophobicContact CG2-CB 4.47Å; V611-F617 HydrophobicContact CG2-CD1 3.14Å; V611-F617 HydrophobicContact CG2-CD2 4.42Å; V611-F617 HydrophobicContact CG2-CE1 3.28Å; V611-F617 HydrophobicContact CG2-CG 3.8Å; V611-F617 HydrophobicContact CG2-CZ 4.02Å
618	I	95.8	Very high	94.5	Very high	50 Å²	50	39 Å²	39	26%	0.256	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.4	175.4	-58.8	165.6	0	0	0	107	L562 D609 S610 D612	L562-I618 HydrophobicContact CB-CG1 4.33Å; L562-I618 HydrophobicContact CD1-CG1 4.3Å; L562-I618 WeakPolarHBondContact O-CA 3.42Å; D609-I618 PolarHBondContact N-O 3.22Å; S610-I618 PolarHBondContact N-O 2.93Å; S610-I618 VanDerWaalsContact N-O 3.13Å; S610-I618 PolarHBondContact O-N 3.05Å; D612-I618 HydrophobicContact CB-CD1 4.23Å
619	G	96	Very high	94.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.2	-156.2	179.4	0	0	0	0	0	113.3	L562 L563 G564 E607 D609	L562-G619 PolarHBondContact O-N 3.3Å; L563-G619 CarbonylContact C-O 3.52Å; L563-G619 WeakPolarHBondContact CA-O 3.43Å; G564-G619 PolarHBondContact N-O 3.27Å; E607-G619 CarbonylContact O-C 3.6Å; E607-G619 VanDerWaalsContact O-CA 3.31Å; E607-G619 WeakPolarHBondContact O-CA 3.39Å; D609-G619 WeakPolarHBondContact OD2-CA 3.29Å
620	S	97.3	Very high	94.8	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	146.9	-175.1	-58.8	0	0	0	0	111.2	F606 E607 Y649	F606-S620 CarbonylContact C-O 3.54Å; F606-S620 WeakPolarHBondContact CA-O 3.47Å; F606-S620 WeakPolarHBondContact CB-O 3.3Å; E607-S620 PolarHBondContact N-O 2.84Å; E607-S620 PolarHBondContact O-N 3.11Å; S620-Y649 WeakPolarHBondContact OG-CD2 3.42Å; S620-Y649 WeakPolarHBondContact OG-CE2 3.47Å
621	C	98.3	Very high	95	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	137	179.2	-176	0	0	0	0	109.2	L548 L561 L563 E605 L628	L548-C621 HydrophobicContact CD1-CB 4.04Å; L561-C621 HydrophobicContact CD2-CB 3.9Å; L563-C621 HydrophobicContact CD2-CB 3.54Å; E605-C621 CarbonylContact O-C 3.57Å; C621-L628 HydrophobicContact CB-CB 4.28Å; C621-L628 HydrophobicContact CB-CD2 4.37Å; C621-L628 WeakPolarHBondContact O-CB 3.42Å; C621-L628 PolarHBondContact O-N 3.46Å
622	F	98.1	Very high	95.1	Very high	5 Å²	5	34.8 Å²	34.8	2%	0.022	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.3	-175.8	-50.4	-90.8	0	0	0	110.7	E605 E607 K626 N627 Y649	E605-F622 HydrophobicContact CB-CB 4.23Å; E605-F622 HydrophobicContact CB-CD2 4.38Å; E605-F622 PolarHBondContact N-O 3.12Å; E605-F622 VanDerWaalsContact N-O 3.11Å; E605-F622 PolarHBondContact O-N 3.37Å; E607-F622 HydrophobicContact CG-CE2 4.14Å; F622-K626 CarbonylContact C-O 3.5Å; F622-K626 WeakPolarHBondContact CA-O 3.45Å; F622-N627 HydrophobicContact CD1-CB 4.02Å; F622-N627 HydrophobicContact CE1-CB 3.87Å; F622-Y649 HydrophobicContact CE1-CE1 4.25Å; F622-Y649 HydrophobicContact CE1-CE2 4.5Å; F622-Y649 AromaticContact CE1-CZ 3.95Å; F622-Y649 HydrophobicContact CZ-CE1 4.27Å; F622-Y649 AromaticContact CZ-CE2 3.87Å; F622-Y649 HydrophobicContact CZ-CE2 3.87Å; F622-Y649 AromaticContact CZ-CZ 3.52Å; F622-Y649 WeakPolarHBondContact CZ-OH 3.42Å
623	V	94.3	Very high	95.4	Very high	27 Å²	27	32.8 Å²	32.8	16%	0.164	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	108.6	178.9	-173.4	0	0	0	0	107.9	C599 V604 G625 K626 L628	C599-V623 HydrophobicContact CB-CG2 3.76Å; V604-V623 HydrophobicContact CG1-CG2 4.03Å; V623-G625 VanDerWaalsContact C-N 3.27Å; V623-G625 PolarHBondContact O-N 3.44Å; V623-K626 PolarHBondContact N-O 3.4Å; V623-K626 PolarHBondContact O-N 3.33Å; V623-L628 HydrophobicContact CG2-CB 4.47Å; V623-L628 HydrophobicContact CG2-CD1 4.41Å
624	G	88.6	Confident	95.7	Very high	84 Å²	84	26.1 Å²	26.1	87%	0.866	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	37.8	-174.6	0	0	0	0	0	112.7	K626	G624-K626 PolarHBondContact O-N 2.93Å
625	G	90.3	Very high	96	Very high	50 Å²	50	27.4 Å²	27.4	52%	0.515	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-14.7	-178.6	0	0	0	0	0	115.5	V623	V623-G625 VanDerWaalsContact C-N 3.27Å; V623-G625 PolarHBondContact O-N 3.44Å
626	K	94.9	Very high	96.2	Very high	131 Å²	131	27.4 Å²	27.4	57%	0.57	17%	0.166	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87	135	177.2	-65.2	-163.6	175.3	-161.8	0	111.6	F622 V623 G624 L628 L631	F622-K626 CarbonylContact C-O 3.5Å; F622-K626 WeakPolarHBondContact CA-O 3.45Å; V623-K626 PolarHBondContact N-O 3.4Å; V623-K626 PolarHBondContact O-N 3.33Å; G624-K626 PolarHBondContact O-N 2.93Å; K626-L628 PolarHBondContact O-N 3.21Å; K626-L631 HydrophobicContact CB-CD1 4.03Å; K626-L631 HydrophobicContact CB-CD2 4.44Å; K626-L631 HydrophobicContact CB-CG 4.28Å; K626-L631 HydrophobicContact CD-CD2 3.94Å
627	N	96.9	Very high	96.2	Very high	5 Å²	5	28 Å²	28	3%	0.027	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	123.3	175.6	-173.3	-11.3	0	0	0	110.3	F622 A629 E630 L631	F622-N627 HydrophobicContact CD1-CB 4.02Å; F622-N627 HydrophobicContact CE1-CB 3.87Å; N627-A629 PolarHBondContact O-N 2.9Å; N627-A629 WeakPolarHBondContact OD1-CB 3.43Å; N627-A629 PolarHBondContact OD1-N 3.37Å; N627-E630 HydrophobicContact CB-CB 4.15Å; N627-E630 VanDerWaalsContact CB-CD 3.48Å; N627-E630 HydrophobicContact CB-CG 3.89Å; N627-E630 WeakPolarHBondContact CB-OE1 3.34Å; N627-E630 PolarHBondContact ND2-OE1 2.95Å; N627-E630 PolarHBondContact O-N 3.14Å; N627-L631 WeakPolarHBondContact O-CG 3.26Å; N627-L631 PolarHBondContact O-N 2.86Å; N627-L631 VanDerWaalsContact O-N 3.08Å
628	L	97.8	Very high	95.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.8	-30.6	-178.5	-178	62.4	0	0	0	112.3	L548 L563 T595 K598 C621 V623 K626 L631 L632	L548-L628 HydrophobicContact CD1-CD2 3.84Å; L563-L628 HydrophobicContact CD1-CB 4.2Å; L563-L628 HydrophobicContact CD1-CD2 3.92Å; L563-L628 HydrophobicContact CD1-CG 3.88Å; T595-L628 HydrophobicContact CG2-CD2 4.01Å; K598-L628 HydrophobicContact CB-CD1 4.33Å; C621-L628 HydrophobicContact CB-CB 4.28Å; C621-L628 HydrophobicContact CB-CD2 4.37Å; C621-L628 WeakPolarHBondContact O-CB 3.42Å; C621-L628 PolarHBondContact O-N 3.46Å; V623-L628 HydrophobicContact CG2-CB 4.47Å; V623-L628 HydrophobicContact CG2-CD1 4.41Å; K626-L628 PolarHBondContact O-N 3.21Å; L628-L631 PolarHBondContact O-N 3.31Å; L628-L632 HydrophobicContact CG-CD1 4.42Å; L628-L632 WeakPolarHBondContact O-CG 3.29Å; L628-L632 PolarHBondContact O-N 2.88Å
629	A	97.8	Very high	95.8	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-66.6	-43.4	176.4	0	0	0	0	0	111.3	L563 I566 N627 L632 L633 L653	L563-A629 HydrophobicContact CB-CB 4.36Å; L563-A629 HydrophobicContact CD1-CB 4.35Å; I566-A629 HydrophobicContact CD1-CB 3.92Å; I566-A629 HydrophobicContact CG1-CB 4.45Å; I566-A629 HydrophobicContact CG2-CB 4.1Å; N627-A629 PolarHBondContact O-N 2.9Å; N627-A629 WeakPolarHBondContact OD1-CB 3.43Å; N627-A629 PolarHBondContact OD1-N 3.37Å; A629-L632 PolarHBondContact O-N 3.42Å; A629-L633 WeakPolarHBondContact O-CG 3.13Å; A629-L633 PolarHBondContact O-N 2.94Å; A629-L653 HydrophobicContact CB-CD2 3.66Å
630	E	97.5	Very high	95.8	Very high	47 Å²	47	28.1 Å²	28.1	22%	0.22	17%	0.173	C	C	.	.	H	α-helix	trans	-60.8	-45.7	173.5	-66.2	165.4	-139.4	0	0	110.6	N627 L632 L633 E634 A652 L653 A656	N627-E630 HydrophobicContact CB-CB 4.15Å; N627-E630 VanDerWaalsContact CB-CD 3.48Å; N627-E630 HydrophobicContact CB-CG 3.89Å; N627-E630 WeakPolarHBondContact CB-OE1 3.34Å; N627-E630 PolarHBondContact ND2-OE1 2.95Å; N627-E630 PolarHBondContact O-N 3.14Å; E630-L632 VanDerWaalsContact C-N 3.3Å; E630-L632 PolarHBondContact O-N 3.25Å; E630-L633 PolarHBondContact O-N 3.26Å; E630-L633 VanDerWaalsContact O-N 3.14Å; E630-E634 WeakPolarHBondContact O-CG 3.26Å; E630-E634 PolarHBondContact O-N 2.87Å; E630-A652 HydrophobicContact CG-CB 4.22Å; E630-L653 HydrophobicContact CG-CD2 3.72Å; E630-L653 HydrophobicContact CG-CG 4.49Å; E630-A656 HydrophobicContact CB-CB 4.27Å
631	L	97.9	Very high	95.6	Very high	15 Å²	15	30.3 Å²	30.3	8%	0.079	18%	0.183	C	C	.	.	H	α-helix	trans	-60.8	-35.2	177.6	-69.5	178.1	0	0	0	113.7	F594 K626 N627 L628	F594-L631 HydrophobicContact CE1-CB 4.13Å; F594-L631 HydrophobicContact CZ-CB 4.26Å; K626-L631 HydrophobicContact CB-CD1 4.03Å; K626-L631 HydrophobicContact CB-CD2 4.44Å; K626-L631 HydrophobicContact CB-CG 4.28Å; K626-L631 HydrophobicContact CD-CD2 3.94Å; N627-L631 WeakPolarHBondContact O-CG 3.26Å; N627-L631 PolarHBondContact O-N 2.86Å; N627-L631 VanDerWaalsContact O-N 3.08Å; L628-L631 PolarHBondContact O-N 3.31Å
632	L	98.2	Very high	95.1	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-69.7	-43.1	175	-80.5	163.8	0	0	0	111.1	G545 L563 I566 A591 F594 L628 A629 E630 E635 G636 F637	G545-L632 WeakPolarHBondContact O-CD1 3.4Å; L563-L632 HydrophobicContact CD1-CD1 3.72Å; I566-L632 HydrophobicContact CD1-CD1 4.21Å; A591-L632 HydrophobicContact CB-CD2 4.48Å; F594-L632 HydrophobicContact CD1-CD2 3.72Å; F594-L632 HydrophobicContact CD1-CG 4.34Å; F594-L632 HydrophobicContact CE1-CD2 4.22Å; F594-L632 HydrophobicContact CE1-CG 4.4Å; L628-L632 HydrophobicContact CG-CD1 4.42Å; L628-L632 WeakPolarHBondContact O-CG 3.29Å; L628-L632 PolarHBondContact O-N 2.88Å; A629-L632 PolarHBondContact O-N 3.42Å; E630-L632 VanDerWaalsContact C-N 3.3Å; E630-L632 PolarHBondContact O-N 3.25Å; L632-E635 PolarHBondContact O-N 2.79Å; L632-G636 PolarHBondContact O-N 3.07Å; L632-F637 HydrophobicContact CB-CB 4.39Å; L632-F637 HydrophobicContact CD2-CB 3.73Å; L632-F637 HydrophobicContact CD2-CD2 4.11Å; L632-F637 HydrophobicContact CD2-CG 4.39Å; L632-F637 WeakPolarHBondContact O-CB 3.4Å; L632-F637 PolarHBondContact O-N 2.82Å
633	L	98.1	Very high	94.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65	-42.4	178.9	-69.9	176.5	0	0	0	112.1	I566 A629 E630 E635 G636 G638 V640 L653 A656 A660	I566-L633 HydrophobicContact CG2-CD1 3.67Å; I566-L633 HydrophobicContact CG2-CD2 4.15Å; I566-L633 HydrophobicContact CG2-CG 3.97Å; A629-L633 WeakPolarHBondContact O-CG 3.13Å; A629-L633 PolarHBondContact O-N 2.94Å; E630-L633 PolarHBondContact O-N 3.26Å; E630-L633 VanDerWaalsContact O-N 3.14Å; L633-E635 PolarHBondContact O-N 3.27Å; L633-G636 WeakPolarHBondContact O-CA 3.42Å; L633-G636 PolarHBondContact O-N 2.83Å; L633-G638 WeakPolarHBondContact CD2-O 3.41Å; L633-V640 HydrophobicContact CD1-CG2 3.83Å; L633-L653 HydrophobicContact CD1-CB 3.72Å; L633-L653 HydrophobicContact CD1-CD2 3.72Å; L633-L653 HydrophobicContact CD1-CG 4.3Å; L633-L653 VanDerWaalsContact CD1-O 3.26Å; L633-L653 WeakPolarHBondContact CD1-O 3.49Å; L633-A656 HydrophobicContact CB-CB 3.81Å; L633-A656 HydrophobicContact CD1-CB 4.47Å; L633-A660 WeakPolarHBondContact O-CB 3.39Å
634	E	96.9	Very high	94.4	Very high	67 Å²	67	37.8 Å²	37.8	31%	0.313	22%	0.217	S	C	.	.	H	α-helix	trans	-59.8	-27.4	178.2	-74.8	179.3	167.4	0	0	113.8	E630 A656 R665	E630-E634 WeakPolarHBondContact O-CG 3.26Å; E630-E634 PolarHBondContact O-N 2.87Å; E634-A656 HydrophobicContact CG-CB 3.71Å; E634-R665 VanDerWaalsContact O-CD 3.26Å; E634-R665 WeakPolarHBondContact O-CD 3.43Å; E634-R665 PolarHBondContact O-NH1 3.23Å
635	E	96.2	Very high	94.3	Very high	78 Å²	78	38.9 Å²	38.9	36%	0.364	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	1	175.8	-64.2	-66.8	158.2	0	0	112.5	F594 L632 L633 F637	F594-E635 HydrophobicContact CD2-CG 4.36Å; F594-E635 HydrophobicContact CE2-CG 3.61Å; F594-E635 HydrophobicContact CZ-CG 3.69Å; L632-E635 PolarHBondContact O-N 2.79Å; L633-E635 PolarHBondContact O-N 3.27Å; E635-F637 VanDerWaalsContact C-N 3.33Å; E635-F637 HydrophobicContact CB-CD2 3.58Å; E635-F637 HydrophobicContact CB-CE2 3.61Å; E635-F637 HydrophobicContact CB-CG 4.3Å; E635-F637 HydrophobicContact CB-CZ 4.35Å; E635-F637 HydrophobicContact CG-CD2 4.49Å; E635-F637 HydrophobicContact CG-CE2 4.32Å
636	G	95.8	Very high	94.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	24.6	-177.6	0	0	0	0	0	113.8	L632 L633 G638 R665 G666 V667	L632-G636 PolarHBondContact O-N 3.07Å; L633-G636 WeakPolarHBondContact O-CA 3.42Å; L633-G636 PolarHBondContact O-N 2.83Å; G636-G638 PolarHBondContact O-N 2.74Å; G636-R665 WeakPolarHBondContact CA-O 3.5Å; G636-G666 WeakPolarHBondContact O-CA 3.48Å; G636-V667 WeakPolarHBondContact O-CG2 2.97Å; G636-V667 PolarHBondContact O-N 3.06Å
637	F	96.4	Very high	93.8	Very high	25 Å²	25	41.7 Å²	41.7	11%	0.11	20%	0.198	C	C	.	.	S	Bend	trans	-89.6	38.4	176.7	-63.7	-40.1	0	0	0	112.8	C568 P569 F587 E590 A591 F594 L632 E635	C568-F637 PolarHBondContact SG-O 3.01Å; P569-F637 WeakPolarHBondContact CD-O 3.16Å; F587-F637 HydrophobicContact CB-CD1 4.14Å; F587-F637 HydrophobicContact CB-CE1 4.36Å; F587-F637 HydrophobicContact CD1-CE1 4.43Å; E590-F637 HydrophobicContact CB-CD1 4.5Å; E590-F637 HydrophobicContact CB-CE1 3.7Å; E590-F637 HydrophobicContact CB-CZ 3.99Å; A591-F637 HydrophobicContact CB-CB 3.71Å; A591-F637 HydrophobicContact CB-CD1 4.18Å; A591-F637 HydrophobicContact CB-CG 3.91Å; F594-F637 HydrophobicContact CB-CD2 3.97Å; F594-F637 HydrophobicContact CB-CE2 3.65Å; F594-F637 HydrophobicContact CD1-CD2 4.12Å; F594-F637 HydrophobicContact CD1-CE2 4.36Å; F594-F637 HydrophobicContact CD2-CD2 4.37Å; F594-F637 AromaticContact CD2-CE2 3.82Å; F594-F637 HydrophobicContact CD2-CE2 3.82Å; F594-F637 AromaticContact CG-CD2 3.91Å; F594-F637 HydrophobicContact CG-CD2 3.91Å; F594-F637 AromaticContact CG-CE2 3.7Å; F594-F637 HydrophobicContact CG-CE2 3.7Å; L632-F637 HydrophobicContact CB-CB 4.39Å; L632-F637 HydrophobicContact CD2-CB 3.73Å; L632-F637 HydrophobicContact CD2-CD2 4.11Å; L632-F637 HydrophobicContact CD2-CG 4.39Å; L632-F637 WeakPolarHBondContact O-CB 3.4Å; L632-F637 PolarHBondContact O-N 2.82Å; E635-F637 VanDerWaalsContact C-N 3.33Å; E635-F637 HydrophobicContact CB-CD2 3.58Å; E635-F637 HydrophobicContact CB-CE2 3.61Å; E635-F637 HydrophobicContact CB-CG 4.3Å; E635-F637 HydrophobicContact CB-CZ 4.35Å; E635-F637 HydrophobicContact CG-CD2 4.49Å; E635-F637 HydrophobicContact CG-CE2 4.32Å
638	G	91.1	Very high	93.4	Very high	3 Å²	3	48.4 Å²	48.4	3%	0.031	23%	0.227	C	C	.	.			trans	154.9	-179.4	178.9	0	0	0	0	0	113.5	N567 L633 G636	N567-G638 CarbonylContact O-C 3.52Å; N567-G638 WeakPolarHBondContact O-CA 3.36Å; L633-G638 WeakPolarHBondContact CD2-O 3.41Å; G636-G638 PolarHBondContact O-N 2.74Å
639	S	93.7	Very high	93.2	Very high	23 Å²	23	50 Å²	50	16%	0.161	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	161.1	173.9	58.3	0	0	0	0	110.8	I566 N567 H641 E657	I566-S639 CarbonylContact C-O 3.47Å; I566-S639 WeakPolarHBondContact CA-O 3.49Å; N567-S639 PolarHBondContact N-O 3.36Å; N567-S639 PolarHBondContact O-N 3.31Å; S639-H641 PolarHBondContact O-N 2.91Å; S639-E657 WeakPolarHBondContact CA-OE1 3.46Å; S639-E657 VanDerWaalsContact CB-OE1 3.27Å; S639-E657 WeakPolarHBondContact CB-OE1 3.46Å
640	V	94.9	Very high	92.8	Very high	26 Å²	26	50.1 Å²	50.1	16%	0.158	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	131	175.4	179.2	0	0	0	0	109.1	L633 A644 L653 R654 E657	L633-V640 HydrophobicContact CD1-CG2 3.83Å; V640-A644 HydrophobicContact CG1-CB 3.49Å; V640-A644 VanDerWaalsContact CG1-CB 3.49Å; V640-L653 HydrophobicContact CG2-CB 4.14Å; V640-R654 HydrophobicContact CG1-CG 4.24Å; V640-R654 HydrophobicContact CG2-CG 4.26Å; V640-E657 HydrophobicContact CG2-CB 3.82Å; V640-E657 HydrophobicContact CG2-CG 4.37Å; V640-E657 PolarHBondContact N-OE1 3.29Å
641	H	93	Very high	92.6	Very high	50 Å²	50	54.2 Å²	54.2	23%	0.231	26%	0.258	C	S	.	.			trans	-94.9	147.4	173.7	-177.7	-96.6	0	0	0	109.7	G565 N567 S639 T643 A644	G565-H641 PolarHBondContact O-N 2.94Å; N567-H641 PolarHBondContact OD1-CD2 3.37Å; S639-H641 PolarHBondContact O-N 2.91Å; H641-T643 VanDerWaalsContact CE1-CG2 3.49Å; H641-T643 WeakPolarHBondContact CE1-CG2 3.19Å; H641-T643 WeakPolarHBondContact ND1-CG2 3.27Å; H641-T643 PolarHBondContact ND1-N 2.93Å; H641-T643 PolarHBondContact ND1-OG1 3.5Å; H641-T643 PolarHBondContact O-N 3.08Å; H641-A644 WeakPolarHBondContact O-CB 3.42Å; H641-A644 PolarHBondContact O-N 2.94Å
642	F	89.7	Confident	92.5	Very high	141 Å²	141	55.3 Å²	55.3	62%	0.618	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-55.8	-23.1	-176	77	-91.8	0	0	0	114.3	A644 D645	F642-A644 PolarHBondContact O-N 3.01Å; F642-D645 PolarHBondContact O-N 3.42Å
643	T	88.4	Confident	92.4	Very high	48 Å²	48	55.4 Å²	55.4	29%	0.294	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-67.1	-11.2	174.4	57	0	0	0	0	113.5	H641 D645 R646	H641-T643 VanDerWaalsContact CE1-CG2 3.49Å; H641-T643 WeakPolarHBondContact CE1-CG2 3.19Å; H641-T643 WeakPolarHBondContact ND1-CG2 3.27Å; H641-T643 PolarHBondContact ND1-N 2.93Å; H641-T643 PolarHBondContact ND1-OG1 3.5Å; H641-T643 PolarHBondContact O-N 3.08Å; T643-D645 PolarHBondContact O-N 3.29Å; T643-R646 PolarHBondContact O-N 3.22Å; T643-R646 VanDerWaalsContact O-N 3.07Å
644	A	88.1	Confident	92.2	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-57.5	-28.1	170.9	0	0	0	0	0	112.4	V640 H641 F642 R646 S647 G650 L653	V640-A644 HydrophobicContact CG1-CB 3.49Å; V640-A644 VanDerWaalsContact CG1-CB 3.49Å; H641-A644 WeakPolarHBondContact O-CB 3.42Å; H641-A644 PolarHBondContact O-N 2.94Å; F642-A644 PolarHBondContact O-N 3.01Å; A644-R646 PolarHBondContact O-N 3.12Å; A644-S647 WeakPolarHBondContact O-CA 3.39Å; A644-S647 WeakPolarHBondContact O-CB 3.02Å; A644-S647 PolarHBondContact O-N 2.75Å; A644-G650 VanDerWaalsContact O-CA 3.29Å; A644-G650 WeakPolarHBondContact O-CA 3.22Å; A644-L653 HydrophobicContact CB-CD1 4.24Å
645	D	87.1	Confident	92.1	Very high	107 Å²	107	59.2 Å²	59.2	57%	0.572	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-64.8	-22.9	175.8	-72.2	-42	0	0	0	113.9	F642 T643 R654	F642-D645 PolarHBondContact O-N 3.42Å; T643-D645 PolarHBondContact O-N 3.29Å; D645-R654 IonicContact OD1-CZ 3.89Å; D645-R654 IonicContact OD1-NH1 3.76Å; D645-R654 PolarHBondContact OD1-NH1 3.29Å; D645-R654 IonicContact OD1-NH2 3.09Å; D645-R654 PolarHBondContact OD1-NH2 3.38Å; D645-R654 IonicContact OD2-NH2 3.31Å; D645-R654 PolarHBondContact OD2-NH2 3.03Å
646	R	86.8	Confident	92.1	Very high	218 Å²	218	55.7 Å²	55.7	82%	0.823	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-91.2	-7.4	174.6	-57.6	-179.1	-175.9	179.7	-0.1	112.1	T643 A644	T643-R646 PolarHBondContact O-N 3.22Å; T643-R646 VanDerWaalsContact O-N 3.07Å; A644-R646 PolarHBondContact O-N 3.12Å
647	S	88	Confident	92.1	Very high	22 Å²	22	57 Å²	57	15%	0.154	28%	0.283	C	S	.	.	S	Bend	trans	-93.6	136.5	179.9	179.3	0	0	0	0	110.4	A644 Y649 G650	A644-S647 WeakPolarHBondContact O-CA 3.39Å; A644-S647 WeakPolarHBondContact O-CB 3.02Å; A644-S647 PolarHBondContact O-N 2.75Å; S647-Y649 PolarHBondContact O-N 2.93Å; S647-Y649 VanDerWaalsContact O-N 3.09Å; S647-Y649 PolarHBondContact OG-N 3.32Å; S647-Y649 VanDerWaalsContact OG-N 3.16Å; S647-G650 PolarHBondContact O-N 3.01Å
648	K	87.9	Confident	91.9	Very high	145 Å²	145	61.8 Å²	61.8	63%	0.63	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-12.6	170.5	66.2	-168.3	-176.7	-169.9	0	113.6	E607	E607-K648 VanDerWaalsContact CD-NZ 3.25Å; E607-K648 WeakPolarHBondContact OE1-CE 3.48Å; E607-K648 IonicContact OE1-NZ 2.63Å; E607-K648 PolarHBondContact OE1-NZ 3.48Å; E607-K648 VanDerWaalsContact OE1-NZ 3.09Å; E607-K648 IonicContact OE2-NZ 3.15Å; E607-K648 PolarHBondContact OE2-NZ 3.34Å
649	Y	92.9	Very high	92.1	Very high	35 Å²	35	64.2 Å²	64.2	14%	0.137	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	4.4	174.6	-49.9	-68.5	0	0	0	113.8	E607 S620 F622 S647 N651 A652 L653	E607-Y649 WeakPolarHBondContact OE1-CE2 3.43Å; E607-Y649 PolarHBondContact OE1-OH 2.99Å; S620-Y649 WeakPolarHBondContact OG-CD2 3.42Å; S620-Y649 WeakPolarHBondContact OG-CE2 3.47Å; F622-Y649 HydrophobicContact CE1-CE1 4.25Å; F622-Y649 HydrophobicContact CE1-CE2 4.5Å; F622-Y649 AromaticContact CE1-CZ 3.95Å; F622-Y649 HydrophobicContact CZ-CE1 4.27Å; F622-Y649 AromaticContact CZ-CE2 3.87Å; F622-Y649 HydrophobicContact CZ-CE2 3.87Å; F622-Y649 AromaticContact CZ-CZ 3.52Å; F622-Y649 WeakPolarHBondContact CZ-OH 3.42Å; S647-Y649 PolarHBondContact O-N 2.93Å; S647-Y649 VanDerWaalsContact O-N 3.09Å; S647-Y649 PolarHBondContact OG-N 3.32Å; S647-Y649 VanDerWaalsContact OG-N 3.16Å; Y649-N651 VanDerWaalsContact C-N 3.27Å; Y649-N651 PolarHBondContact O-N 2.92Å; Y649-N651 VanDerWaalsContact O-N 3.15Å; Y649-A652 PolarHBondContact O-N 3.11Å; Y649-L653 WeakPolarHBondContact O-CG 3.41Å; Y649-L653 PolarHBondContact O-N 3.31Å
650	G	91.2	Very high	92.1	Very high	3 Å²	3	63.1 Å²	63.1	3%	0.031	31%	0.31	C	S	.	.	H	α-helix	trans	-51.9	-42.7	-173.9	0	0	0	0	0	113.9	A644 S647 L653 R654	A644-G650 VanDerWaalsContact O-CA 3.29Å; A644-G650 WeakPolarHBondContact O-CA 3.22Å; S647-G650 PolarHBondContact O-N 3.01Å; G650-L653 PolarHBondContact O-N 3.25Å; G650-R654 WeakPolarHBondContact O-CG 3.46Å; G650-R654 PolarHBondContact O-N 3.43Å; G650-R654 VanDerWaalsContact O-N 3.08Å
651	N	92.8	Very high	91.8	Very high	133 Å²	133	65.8 Å²	65.8	71%	0.711	32%	0.32	S	S	*	.	H	α-helix	trans	-65.8	-40.3	177.6	-67.9	-13.5	0	0	0	113	Y649 R654 A655	Y649-N651 VanDerWaalsContact C-N 3.27Å; Y649-N651 PolarHBondContact O-N 2.92Å; Y649-N651 VanDerWaalsContact O-N 3.15Å; N651-R654 PolarHBondContact O-N 3.38Å; N651-A655 PolarHBondContact O-N 3.27Å
652	A	94.7	Very high	91.7	Very high	37 Å²	37	69.4 Å²	69.4	31%	0.306	34%	0.337	S	S	.	.	H	α-helix	trans	-68.1	-38.8	178.3	0	0	0	0	0	111.5	E630 Y649 A655 A656	E630-A652 HydrophobicContact CG-CB 4.22Å; Y649-A652 PolarHBondContact O-N 3.11Å; A652-A655 PolarHBondContact O-N 2.89Å; A652-A656 WeakPolarHBondContact O-CB 3.35Å; A652-A656 PolarHBondContact O-N 2.86Å
653	L	97.2	Very high	91.8	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-61.4	-44.6	174.3	-64.6	175	0	0	0	111.6	I566 A629 E630 L633 V640 A644 Y649 G650 A655 A656 E657	I566-L653 HydrophobicContact CG2-CD1 4.19Å; I566-L653 HydrophobicContact CG2-CD2 3.98Å; A629-L653 HydrophobicContact CB-CD2 3.66Å; E630-L653 HydrophobicContact CG-CD2 3.72Å; E630-L653 HydrophobicContact CG-CG 4.49Å; L633-L653 HydrophobicContact CD1-CB 3.72Å; L633-L653 HydrophobicContact CD1-CD2 3.72Å; L633-L653 HydrophobicContact CD1-CG 4.3Å; L633-L653 VanDerWaalsContact CD1-O 3.26Å; L633-L653 WeakPolarHBondContact CD1-O 3.49Å; V640-L653 HydrophobicContact CG2-CB 4.14Å; A644-L653 HydrophobicContact CB-CD1 4.24Å; Y649-L653 WeakPolarHBondContact O-CG 3.41Å; Y649-L653 PolarHBondContact O-N 3.31Å; G650-L653 PolarHBondContact O-N 3.25Å; L653-A655 PolarHBondContact O-N 2.76Å; L653-A656 WeakPolarHBondContact O-CB 3.35Å; L653-A656 PolarHBondContact O-N 3.26Å; L653-E657 PolarHBondContact O-N 2.94Å
654	R	94.3	Very high	91.9	Very high	90 Å²	90	66.9 Å²	66.9	34%	0.34	33%	0.332	S	S	.	.	H	α-helix	trans	-63.5	-40.6	175.7	-72.4	178.7	175.1	112.3	5.6	113	V640 D645 G650 N651 E657 K658	V640-R654 HydrophobicContact CG1-CG 4.24Å; V640-R654 HydrophobicContact CG2-CG 4.26Å; D645-R654 IonicContact OD1-CZ 3.89Å; D645-R654 IonicContact OD1-NH1 3.76Å; D645-R654 PolarHBondContact OD1-NH1 3.29Å; D645-R654 IonicContact OD1-NH2 3.09Å; D645-R654 PolarHBondContact OD1-NH2 3.38Å; D645-R654 IonicContact OD2-NH2 3.31Å; D645-R654 PolarHBondContact OD2-NH2 3.03Å; G650-R654 WeakPolarHBondContact O-CG 3.46Å; G650-R654 PolarHBondContact O-N 3.43Å; G650-R654 VanDerWaalsContact O-N 3.08Å; N651-R654 PolarHBondContact O-N 3.38Å; R654-E657 PolarHBondContact O-N 3.22Å; R654-K658 WeakPolarHBondContact O-CB 3.32Å; R654-K658 PolarHBondContact O-N 3.17Å
655	A	94.4	Very high	92.1	Very high	57 Å²	57	71.3 Å²	71.3	47%	0.471	35%	0.349	S	S	.	.	H	α-helix	trans	-62.5	-43.8	175	0	0	0	0	0	111.5	N651 A652 L653 K658 V659	N651-A655 PolarHBondContact O-N 3.27Å; A652-A655 PolarHBondContact O-N 2.89Å; L653-A655 PolarHBondContact O-N 2.76Å; A655-K658 PolarHBondContact O-N 3.25Å; A655-V659 WeakPolarHBondContact O-CG2 3.49Å; A655-V659 PolarHBondContact O-N 3.44Å; A655-V659 VanDerWaalsContact O-N 3.11Å
656	A	96.1	Very high	92.4	Very high	4 Å²	4	66.8 Å²	66.8	3%	0.033	33%	0.327	C	S	.	.	H	α-helix	trans	-61.8	-43.5	176.1	0	0	0	0	0	112.7	E630 L633 E634 A652 L653 V659 A660	E630-A656 HydrophobicContact CB-CB 4.27Å; L633-A656 HydrophobicContact CB-CB 3.81Å; L633-A656 HydrophobicContact CD1-CB 4.47Å; E634-A656 HydrophobicContact CG-CB 3.71Å; A652-A656 WeakPolarHBondContact O-CB 3.35Å; A652-A656 PolarHBondContact O-N 2.86Å; L653-A656 WeakPolarHBondContact O-CB 3.35Å; L653-A656 PolarHBondContact O-N 3.26Å; A656-V659 PolarHBondContact O-N 2.94Å; A656-A660 PolarHBondContact O-N 3.04Å
657	E	95.6	Very high	92.6	Very high	28 Å²	28	56.9 Å²	56.9	13%	0.131	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-44.5	174.8	179.6	-177.4	-110.1	0	0	111.9	S639 V640 L653 R654 V659 A660 K661 W668	S639-E657 WeakPolarHBondContact CA-OE1 3.46Å; S639-E657 VanDerWaalsContact CB-OE1 3.27Å; S639-E657 WeakPolarHBondContact CB-OE1 3.46Å; V640-E657 HydrophobicContact CG2-CB 3.82Å; V640-E657 HydrophobicContact CG2-CG 4.37Å; V640-E657 PolarHBondContact N-OE1 3.29Å; L653-E657 PolarHBondContact O-N 2.94Å; R654-E657 PolarHBondContact O-N 3.22Å; E657-V659 VanDerWaalsContact C-N 3.27Å; E657-V659 PolarHBondContact O-N 3.49Å; E657-A660 PolarHBondContact O-N 3.33Å; E657-K661 HydrophobicContact CG-CD 4.38Å; E657-K661 HydrophobicContact CG-CG 4.44Å; E657-K661 PolarHBondContact O-N 2.93Å; E657-W668 HydrophobicContact CG-CH2 4.36Å; E657-W668 HydrophobicContact CG-CZ2 3.55Å; E657-W668 WeakPolarHBondContact OE1-CZ2 3.5Å
658	K	93	Very high	92.8	Very high	126 Å²	126	56.7 Å²	56.7	55%	0.548	29%	0.287	S	S	.	.	H	α-helix	trans	-55.3	-43.8	176.7	179.8	174.4	172.4	170.1	0	111.5	R654 A655 A660 K661 E662	R654-K658 WeakPolarHBondContact O-CB 3.32Å; R654-K658 PolarHBondContact O-N 3.17Å; A655-K658 PolarHBondContact O-N 3.25Å; K658-A660 VanDerWaalsContact C-N 3.3Å; K658-A660 PolarHBondContact O-N 2.82Å; K658-K661 PolarHBondContact O-N 2.73Å; K658-E662 WeakPolarHBondContact CE-OE1 3.17Å; K658-E662 HydrophobicContact CG-CG 4.37Å; K658-E662 IonicContact NZ-OE1 3.7Å; K658-E662 WeakPolarHBondContact O-CB 3.36Å; K658-E662 WeakPolarHBondContact O-CG 3.27Å; K658-E662 PolarHBondContact O-N 3.48Å
659	V	93.7	Very high	92.9	Very high	53 Å²	53	52.5 Å²	52.5	32%	0.321	28%	0.276	S	S	.	.	H	α-helix	trans	-58.9	-41.7	175.5	171.3	0	0	0	0	111.4	A655 A656 E657 N663	A655-V659 WeakPolarHBondContact O-CG2 3.49Å; A655-V659 PolarHBondContact O-N 3.44Å; A655-V659 VanDerWaalsContact O-N 3.11Å; A656-V659 PolarHBondContact O-N 2.94Å; E657-V659 VanDerWaalsContact C-N 3.27Å; E657-V659 PolarHBondContact O-N 3.49Å; V659-N663 WeakPolarHBondContact O-CB 3.33Å; V659-N663 PolarHBondContact O-N 3.5Å; V659-N663 PolarHBondContact O-ND2 3.2Å
660	A	94.4	Very high	92.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-72.1	-36	179.7	0	0	0	0	0	113.2	L633 A656 E657 K658 N663 S664 R665	L633-A660 WeakPolarHBondContact O-CB 3.39Å; A656-A660 PolarHBondContact O-N 3.04Å; E657-A660 PolarHBondContact O-N 3.33Å; K658-A660 VanDerWaalsContact C-N 3.3Å; K658-A660 PolarHBondContact O-N 2.82Å; A660-N663 CarbonylContact O-C 3.53Å; A660-N663 PolarHBondContact O-N 2.64Å; A660-S664 PolarHBondContact O-N 2.82Å; A660-R665 HydrophobicContact CB-CB 4.25Å; A660-R665 PolarHBondContact O-N 3.21Å
661	K	89.4	Confident	92.2	Very high	83 Å²	83	57.5 Å²	57.5	36%	0.361	31%	0.31	S	S	.	.	H	α-helix	trans	-60.7	-52.2	172.3	-74.5	-178.1	170.1	-167	0	111.6	E657 K658 N663 S664 W668	E657-K661 HydrophobicContact CG-CD 4.38Å; E657-K661 HydrophobicContact CG-CG 4.44Å; E657-K661 PolarHBondContact O-N 2.93Å; K658-K661 PolarHBondContact O-N 2.73Å; K661-N663 PolarHBondContact O-N 3.5Å; K661-N663 VanDerWaalsContact O-N 3.17Å; K661-S664 PolarHBondContact O-N 2.69Å; K661-W668 HydrophobicContact CD-CE3 4.35Å; K661-W668 HydrophobicContact CD-CH2 4.37Å; K661-W668 HydrophobicContact CD-CZ3 4.26Å; K661-W668 HydrophobicContact CG-CD2 3.53Å; K661-W668 HydrophobicContact CG-CE3 3.7Å; K661-W668 HydrophobicContact CG-CG 4Å; K661-W668 HydrophobicContact CG-CH2 4.3Å; K661-W668 HydrophobicContact CG-CZ2 4.15Å; K661-W668 HydrophobicContact CG-CZ3 4.08Å
662	E	90.1	Very high	91.4	Very high	126 Å²	126	57.1 Å²	57.1	59%	0.589	31%	0.307	S	S	*	.	H	α-helix	trans	-59.8	-29.1	-179.6	-73.4	173.8	169.1	0	0	112.9	K658	K658-E662 WeakPolarHBondContact CE-OE1 3.17Å; K658-E662 HydrophobicContact CG-CG 4.37Å; K658-E662 IonicContact NZ-OE1 3.7Å; K658-E662 WeakPolarHBondContact O-CB 3.36Å; K658-E662 WeakPolarHBondContact O-CG 3.27Å; K658-E662 PolarHBondContact O-N 3.48Å
663	N	91.5	Very high	90.5	Very high	87 Å²	87	58.8 Å²	58.8	47%	0.465	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	7.4	179.9	-67.9	-73	0	0	0	113.6	V659 A660 K661 R665	V659-N663 WeakPolarHBondContact O-CB 3.33Å; V659-N663 PolarHBondContact O-N 3.5Å; V659-N663 PolarHBondContact O-ND2 3.2Å; A660-N663 CarbonylContact O-C 3.53Å; A660-N663 PolarHBondContact O-N 2.64Å; K661-N663 PolarHBondContact O-N 3.5Å; K661-N663 VanDerWaalsContact O-N 3.17Å; N663-R665 VanDerWaalsContact C-N 3.29Å; N663-R665 HydrophobicContact CB-CG 3.84Å; N663-R665 PolarHBondContact O-N 3.48Å
664	S	90.4	Very high	89.2	Confident	49 Å²	49	62 Å²	62	34%	0.343	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.3	48.7	-176.6	-55.7	0	0	0	0	113.3	A660 K661 S669 Q674	A660-S664 PolarHBondContact O-N 2.82Å; K661-S664 PolarHBondContact O-N 2.69Å; S664-S669 WeakPolarHBondContact O-CB 3.12Å; S664-Q674 PolarHBondContact OG-NE2 2.81Å
665	R	92.7	Very high	87.7	Confident	92 Å²	92	63.2 Å²	63.2	35%	0.347	33%	0.331	S	S	.	.			trans	-91	145.6	-177.2	-65	-180	-177	175.1	1	112.3	E634 G636 A660 N663 V667 W668	E634-R665 VanDerWaalsContact O-CD 3.26Å; E634-R665 WeakPolarHBondContact O-CD 3.43Å; E634-R665 PolarHBondContact O-NH1 3.23Å; G636-R665 WeakPolarHBondContact CA-O 3.5Å; A660-R665 HydrophobicContact CB-CB 4.25Å; A660-R665 PolarHBondContact O-N 3.21Å; N663-R665 VanDerWaalsContact C-N 3.29Å; N663-R665 HydrophobicContact CB-CG 3.84Å; N663-R665 PolarHBondContact O-N 3.48Å; R665-V667 PolarHBondContact O-N 3.17Å; R665-W668 WeakPolarHBondContact O-CB 3.06Å; R665-W668 PolarHBondContact O-N 2.75Å
666	G	92.8	Very high	86.2	Confident	12 Å²	12	65.8 Å²	65.8	12%	0.124	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	54.5	-126.8	172	0	0	0	0	0	112.1	F587 G636 W668 S669	F587-G666 WeakPolarHBondContact CE2-O 3.31Å; F587-G666 VanDerWaalsContact CZ-O 3.32Å; F587-G666 WeakPolarHBondContact CZ-O 3.31Å; G636-G666 WeakPolarHBondContact O-CA 3.48Å; G666-W668 PolarHBondContact O-N 3.13Å; G666-W668 VanDerWaalsContact O-N 3.13Å; G666-S669 WeakPolarHBondContact O-CB 3.09Å; G666-S669 PolarHBondContact O-N 3.02Å; G666-S669 PolarHBondContact O-OG 3.12Å; G666-S669 VanDerWaalsContact O-OG 3.08Å
667	V	92.1	Very high	84.6	Confident	10 Å²	10	67.5 Å²	67.5	6%	0.061	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-56.5	-31.2	179.9	-58.5	0	0	0	0	112.6	P569 F587 G636 R665 S669 L670 Y673	P569-V667 HydrophobicContact CG-CG1 3.66Å; F587-V667 HydrophobicContact CD2-CG1 4.12Å; G636-V667 WeakPolarHBondContact O-CG2 2.97Å; G636-V667 PolarHBondContact O-N 3.06Å; R665-V667 PolarHBondContact O-N 3.17Å; V667-S669 PolarHBondContact O-N 2.96Å; V667-L670 HydrophobicContact CB-CD1 4.41Å; V667-L670 VanDerWaalsContact O-CB 3.31Å; V667-L670 WeakPolarHBondContact O-CB 3.26Å; V667-L670 WeakPolarHBondContact O-CD1 2.79Å; V667-L670 VanDerWaalsContact O-CG 3.26Å; V667-L670 WeakPolarHBondContact O-CG 3.49Å; V667-L670 PolarHBondContact O-N 2.71Å; V667-L670 VanDerWaalsContact O-N 3.12Å; V667-Y673 HydrophobicContact CB-CD2 4.5Å; V667-Y673 HydrophobicContact CB-CE2 4.12Å; V667-Y673 HydrophobicContact CG2-CE2 4.46Å; V667-Y673 WeakPolarHBondContact O-CD2 3.39Å
668	W	91.2	Very high	82.8	Confident	19 Å²	19	71.5 Å²	71.5	7%	0.072	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-70.8	-12.7	179.7	-53.1	108.4	0	0	0	113.1	E657 K661 R665 G666 L670 Y673 Q674	E657-W668 HydrophobicContact CG-CH2 4.36Å; E657-W668 HydrophobicContact CG-CZ2 3.55Å; E657-W668 WeakPolarHBondContact OE1-CZ2 3.5Å; K661-W668 HydrophobicContact CD-CE3 4.35Å; K661-W668 HydrophobicContact CD-CH2 4.37Å; K661-W668 HydrophobicContact CD-CZ3 4.26Å; K661-W668 HydrophobicContact CG-CD2 3.53Å; K661-W668 HydrophobicContact CG-CE3 3.7Å; K661-W668 HydrophobicContact CG-CG 4Å; K661-W668 HydrophobicContact CG-CH2 4.3Å; K661-W668 HydrophobicContact CG-CZ2 4.15Å; K661-W668 HydrophobicContact CG-CZ3 4.08Å; R665-W668 WeakPolarHBondContact O-CB 3.06Å; R665-W668 PolarHBondContact O-N 2.75Å; G666-W668 PolarHBondContact O-N 3.13Å; G666-W668 VanDerWaalsContact O-N 3.13Å; W668-L670 VanDerWaalsContact C-N 3.28Å; W668-Y673 AromaticContact CE3-CD1 3.57Å; W668-Y673 HydrophobicContact CE3-CD1 3.57Å; W668-Y673 HydrophobicContact CE3-CE1 4.15Å; W668-Y673 AromaticContact CE3-CG 3.87Å; W668-Y673 HydrophobicContact CE3-CG 3.87Å; W668-Y673 HydrophobicContact CH2-CD1 4.29Å; W668-Y673 HydrophobicContact CH2-CE1 4.13Å; W668-Y673 AromaticContact CZ3-CD1 3.3Å; W668-Y673 HydrophobicContact CZ3-CD1 3.3Å; W668-Y673 AromaticContact CZ3-CE1 3.57Å; W668-Y673 HydrophobicContact CZ3-CE1 3.57Å; W668-Y673 HydrophobicContact CZ3-CG 4.09Å; W668-Q674 PolarHBondContact O-NE2 3.08Å
669	S	90.7	Very high	81.2	Confident	57 Å²	57	68.9 Å²	68.9	40%	0.399	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-82.3	-5.8	173.5	91.6	0	0	0	0	113.2	S664 G666 V667	S664-S669 WeakPolarHBondContact O-CB 3.12Å; G666-S669 WeakPolarHBondContact O-CB 3.09Å; G666-S669 PolarHBondContact O-N 3.02Å; G666-S669 PolarHBondContact O-OG 3.12Å; G666-S669 VanDerWaalsContact O-OG 3.08Å; V667-S669 PolarHBondContact O-N 2.96Å
670	L	89.2	Confident	79.6	Confident	42 Å²	42	71.6 Å²	71.6	22%	0.22	37%	0.365	C	S	.	.	S	Bend	trans	-76.7	149.3	-177.4	-62.2	170.6	0	0	0	110.7	P586 F587 V667 W668 D672 Y673 Q674	P586-L670 HydrophobicContact CB-CD1 3.88Å; P586-L670 HydrophobicContact CB-CD2 4.27Å; P586-L670 HydrophobicContact CG-CD1 4.14Å; F587-L670 HydrophobicContact CD2-CD1 4.47Å; F587-L670 HydrophobicContact CE2-CD1 4.23Å; F587-L670 HydrophobicContact CE2-CD2 3.74Å; F587-L670 HydrophobicContact CE2-CG 3.88Å; V667-L670 HydrophobicContact CB-CD1 4.41Å; V667-L670 VanDerWaalsContact O-CB 3.31Å; V667-L670 WeakPolarHBondContact O-CB 3.26Å; V667-L670 WeakPolarHBondContact O-CD1 2.79Å; V667-L670 VanDerWaalsContact O-CG 3.26Å; V667-L670 WeakPolarHBondContact O-CG 3.49Å; V667-L670 PolarHBondContact O-N 2.71Å; V667-L670 VanDerWaalsContact O-N 3.12Å; W668-L670 VanDerWaalsContact C-N 3.28Å; L670-D672 VanDerWaalsContact C-N 3.3Å; L670-D672 PolarHBondContact O-N 3.29Å; L670-Y673 HydrophobicContact CB-CD2 4.23Å; L670-Y673 HydrophobicContact CD1-CD2 4.4Å; L670-Y673 HydrophobicContact CD1-CE2 4.46Å; L670-Y673 PolarHBondContact O-N 2.78Å; L670-Q674 WeakPolarHBondContact O-CG 3.47Å; L670-Q674 PolarHBondContact O-N 3.2Å
671	P	79.3	Confident	77.9	Confident	100 Å²	100	77.9 Å²	77.9	65%	0.649	39%	0.392	S	S	*	.	H	α-helix	trans	-53.9	-42.9	-177.6	-27	34.9	0	0	0	113.9	Y673 Q674 Q675	P671-Y673 VanDerWaalsContact C-N 3.34Å; P671-Y673 PolarHBondContact O-N 2.99Å; P671-Q674 PolarHBondContact O-N 3.19Å; P671-Q675 WeakPolarHBondContact O-CB 3.43Å; P671-Q675 PolarHBondContact O-N 3.39Å
672	D	75.9	Confident	76.4	Confident	125 Å²	125	77.6 Å²	77.6	67%	0.668	40%	0.395	S	S	*	.	H	α-helix	trans	-59.9	-43.4	-178.2	-57.8	-18.2	0	0	0	111.7	L670 E676	L670-D672 VanDerWaalsContact C-N 3.3Å; L670-D672 PolarHBondContact O-N 3.29Å; D672-E676 WeakPolarHBondContact O-CG 3.44Å; D672-E676 PolarHBondContact O-N 3.25Å; D672-E676 VanDerWaalsContact O-N 3.09Å
673	Y	75.5	Confident	74.7	Confident	72 Å²	72	76.7 Å²	76.7	28%	0.282	39%	0.39	S	S	.	.	H	α-helix	trans	-76.4	-30.1	177.9	-71.6	-71.9	0	0	0	113.2	V667 W668 L670 P671 S677	V667-Y673 HydrophobicContact CB-CD2 4.5Å; V667-Y673 HydrophobicContact CB-CE2 4.12Å; V667-Y673 HydrophobicContact CG2-CE2 4.46Å; V667-Y673 WeakPolarHBondContact O-CD2 3.39Å; W668-Y673 AromaticContact CE3-CD1 3.57Å; W668-Y673 HydrophobicContact CE3-CD1 3.57Å; W668-Y673 HydrophobicContact CE3-CE1 4.15Å; W668-Y673 AromaticContact CE3-CG 3.87Å; W668-Y673 HydrophobicContact CE3-CG 3.87Å; W668-Y673 HydrophobicContact CH2-CD1 4.29Å; W668-Y673 HydrophobicContact CH2-CE1 4.13Å; W668-Y673 AromaticContact CZ3-CD1 3.3Å; W668-Y673 HydrophobicContact CZ3-CD1 3.3Å; W668-Y673 AromaticContact CZ3-CE1 3.57Å; W668-Y673 HydrophobicContact CZ3-CE1 3.57Å; W668-Y673 HydrophobicContact CZ3-CG 4.09Å; L670-Y673 HydrophobicContact CB-CD2 4.23Å; L670-Y673 HydrophobicContact CD1-CD2 4.4Å; L670-Y673 HydrophobicContact CD1-CE2 4.46Å; L670-Y673 PolarHBondContact O-N 2.78Å; P671-Y673 VanDerWaalsContact C-N 3.34Å; P671-Y673 PolarHBondContact O-N 2.99Å; Y673-S677 WeakPolarHBondContact O-CB 3.5Å; Y673-S677 PolarHBondContact O-N 3.01Å; Y673-S677 PolarHBondContact O-OG 3.1Å
674	Q	70.9	Confident	73	Confident	70 Å²	70	78.7 Å²	78.7	33%	0.327	40%	0.397	S	S	.	.	H	α-helix	trans	-67	-41.1	173.9	-70.2	-68.9	-67.7	0	0	110.6	S664 W668 L670 P671 S677 Q678	S664-Q674 PolarHBondContact OG-NE2 2.81Å; W668-Q674 PolarHBondContact O-NE2 3.08Å; L670-Q674 WeakPolarHBondContact O-CG 3.47Å; L670-Q674 PolarHBondContact O-N 3.2Å; P671-Q674 PolarHBondContact O-N 3.19Å; Q674-S677 WeakPolarHBondContact CA-OG 3.48Å; Q674-S677 PolarHBondContact O-N 3.28Å; Q674-S677 PolarHBondContact O-OG 2.96Å; Q674-Q678 WeakPolarHBondContact O-CB 3.37Å; Q674-Q678 PolarHBondContact O-N 3.43Å
675	Q	63.1	Low	71.3	Confident	116 Å²	116	83 Å²	83	54%	0.542	41%	0.411	S	S	.	.	H	α-helix	trans	-61.2	-52	174	-170.4	73.8	43	0	0	110.7	P671 S677 Q678 D679	P671-Q675 WeakPolarHBondContact O-CB 3.43Å; P671-Q675 PolarHBondContact O-N 3.39Å; Q675-S677 VanDerWaalsContact C-N 3.27Å; Q675-S677 PolarHBondContact O-N 3.43Å; Q675-Q678 PolarHBondContact O-N 2.96Å; Q675-D679 PolarHBondContact NE2-OD1 2.94Å; Q675-D679 VanDerWaalsContact NE2-OD1 3.16Å; Q675-D679 PolarHBondContact O-N 3.46Å
676	E	62.1	Low	69.4	Low	111 Å²	111	85.6 Å²	85.6	52%	0.519	43%	0.427	S	S	.	.	H	α-helix	trans	-54.1	-43.1	175.4	-74.4	176.3	-178.2	0	0	112.1	D672 Q678 E680	D672-E676 WeakPolarHBondContact O-CG 3.44Å; D672-E676 PolarHBondContact O-N 3.25Å; D672-E676 VanDerWaalsContact O-N 3.09Å; E676-Q678 VanDerWaalsContact C-N 3.32Å; E676-Q678 PolarHBondContact O-N 2.84Å; E676-E680 WeakPolarHBondContact O-CB 3.38Å; E676-E680 WeakPolarHBondContact O-CG 3.45Å; E676-E680 PolarHBondContact O-N 3.25Å
677	S	62.7	Low	67.5	Low	39 Å²	39	90.5 Å²	90.5	27%	0.273	45%	0.447	S	S	.	.	H	α-helix	trans	-71.8	-24.8	179.4	72.7	0	0	0	0	114.2	Y673 Q674 Q675 K681	Y673-S677 WeakPolarHBondContact O-CB 3.5Å; Y673-S677 PolarHBondContact O-N 3.01Å; Y673-S677 PolarHBondContact O-OG 3.1Å; Q674-S677 WeakPolarHBondContact CA-OG 3.48Å; Q674-S677 PolarHBondContact O-N 3.28Å; Q674-S677 PolarHBondContact O-OG 2.96Å; Q675-S677 VanDerWaalsContact C-N 3.27Å; Q675-S677 PolarHBondContact O-N 3.43Å; S677-K681 WeakPolarHBondContact O-CG 3.39Å; S677-K681 PolarHBondContact O-N 2.88Å
678	Q	57.3	Low	65.5	Low	113 Å²	113	95.6 Å²	95.6	53%	0.528	47%	0.474	S	S	.	.	H	α-helix	trans	-81.5	-41.8	176.3	-174.2	152.4	-14.7	0	0	110.1	Q674 Q675 E676 E680 K681 D682	Q674-Q678 WeakPolarHBondContact O-CB 3.37Å; Q674-Q678 PolarHBondContact O-N 3.43Å; Q675-Q678 PolarHBondContact O-N 2.96Å; E676-Q678 VanDerWaalsContact C-N 3.32Å; E676-Q678 PolarHBondContact O-N 2.84Å; Q678-E680 VanDerWaalsContact C-N 3.32Å; Q678-E680 PolarHBondContact O-N 3.34Å; Q678-K681 PolarHBondContact O-N 2.81Å; Q678-K681 VanDerWaalsContact O-N 3.1Å; Q678-D682 WeakPolarHBondContact O-CB 3.36Å; Q678-D682 PolarHBondContact O-N 2.79Å
679	D	59.5	Low	63.5	Low	70 Å²	70	100.8 Å²	100.8	37%	0.374	50%	0.503	S	S	.	.	H	α-helix	trans	-59.5	-42.5	172	-58.6	-20.3	0	0	0	110.6	Q675 K681 D682 E683	Q675-D679 PolarHBondContact NE2-OD1 2.94Å; Q675-D679 VanDerWaalsContact NE2-OD1 3.16Å; Q675-D679 PolarHBondContact O-N 3.46Å; D679-K681 VanDerWaalsContact C-N 3.34Å; D679-K681 PolarHBondContact O-N 2.78Å; D679-D682 PolarHBondContact O-N 3.02Å; D679-E683 WeakPolarHBondContact O-CB 3.15Å; D679-E683 WeakPolarHBondContact O-CG 3.45Å; D679-E683 PolarHBondContact O-N 2.96Å
680	E	61.3	Low	61.5	Low	111 Å²	111	100.4 Å²	100.4	52%	0.519	50%	0.501	S	S	.	.	H	α-helix	trans	-61.5	-37.4	173.4	-79.1	-178.5	173.8	0	0	112.9	E676 Q678 E684	E676-E680 WeakPolarHBondContact O-CB 3.38Å; E676-E680 WeakPolarHBondContact O-CG 3.45Å; E676-E680 PolarHBondContact O-N 3.25Å; Q678-E680 VanDerWaalsContact C-N 3.32Å; Q678-E680 PolarHBondContact O-N 3.34Å; E680-E684 WeakPolarHBondContact O-CG 3.4Å; E680-E684 PolarHBondContact O-N 3.09Å
681	K	57.9	Low	59.4	Low	132 Å²	132	105.2 Å²	105.2	57%	0.574	52%	0.524	S	S	*	.	H	α-helix	trans	-74.8	-40.8	177.9	-81.1	177.3	-178.4	174.3	0	112.5	S677 Q678 D679 E683 E684 E685	S677-K681 WeakPolarHBondContact O-CG 3.39Å; S677-K681 PolarHBondContact O-N 2.88Å; Q678-K681 PolarHBondContact O-N 2.81Å; Q678-K681 VanDerWaalsContact O-N 3.1Å; D679-K681 VanDerWaalsContact C-N 3.34Å; D679-K681 PolarHBondContact O-N 2.78Å; K681-E683 VanDerWaalsContact C-N 3.25Å; K681-E683 PolarHBondContact O-N 3.48Å; K681-E684 PolarHBondContact O-N 3.11Å; K681-E685 WeakPolarHBondContact O-CB 3.42Å; K681-E685 PolarHBondContact O-N 3.32Å
682	D	57.7	Low	57.7	Low	77 Å²	77	104.7 Å²	104.7	41%	0.412	52%	0.523	S	S	.	.	H	α-helix	trans	-62.6	-38.9	175.7	-67.1	-15.2	0	0	0	109.1	Q678 D679 E686	Q678-D682 WeakPolarHBondContact O-CB 3.36Å; Q678-D682 PolarHBondContact O-N 2.79Å; D679-D682 PolarHBondContact O-N 3.02Å; D682-E686 WeakPolarHBondContact O-CB 3.44Å; D682-E686 WeakPolarHBondContact O-CG 3.43Å; D682-E686 PolarHBondContact O-N 3.29Å
683	E	55.8	Low	55.9	Low	106 Å²	106	106.1 Å²	106.1	50%	0.495	52%	0.523	S	S	.	.	H	α-helix	trans	-66.4	-39.7	171.3	-75.6	-173.8	-177.6	0	0	113.4	D679 K681 Q687	D679-E683 WeakPolarHBondContact O-CB 3.15Å; D679-E683 WeakPolarHBondContact O-CG 3.45Å; D679-E683 PolarHBondContact O-N 2.96Å; K681-E683 VanDerWaalsContact C-N 3.25Å; K681-E683 PolarHBondContact O-N 3.48Å; E683-Q687 VanDerWaalsContact O-CB 3.29Å; E683-Q687 WeakPolarHBondContact O-CB 3.34Å; E683-Q687 VanDerWaalsContact O-CG 3.24Å; E683-Q687 WeakPolarHBondContact O-CG 3.41Å; E683-Q687 PolarHBondContact O-N 3.4Å
684	E	55.6	Low	54.1	Low	130 Å²	130	106.7 Å²	106.7	61%	0.607	55%	0.551	S	S	*	*	H	α-helix	trans	-69.3	-37.6	175.3	-82.9	-171.6	175.1	0	0	112.6	E680 K681 Q687 N688	E680-E684 WeakPolarHBondContact O-CG 3.4Å; E680-E684 PolarHBondContact O-N 3.09Å; K681-E684 PolarHBondContact O-N 3.11Å; E684-Q687 PolarHBondContact O-N 2.88Å; E684-N688 WeakPolarHBondContact O-CB 3.41Å; E684-N688 PolarHBondContact O-N 2.88Å
685	E	53.8	Low	52.9	Low	138 Å²	138	109.7 Å²	109.7	65%	0.645	57%	0.568	S	S	*	*	H	α-helix	trans	-67.9	-44.7	174.2	-77.7	-172.4	179.7	0	0	110.6	K681 Q687 N688 D689	K681-E685 WeakPolarHBondContact O-CB 3.42Å; K681-E685 PolarHBondContact O-N 3.32Å; E685-Q687 VanDerWaalsContact C-N 3.27Å; E685-Q687 PolarHBondContact O-N 3.49Å; E685-N688 PolarHBondContact O-N 2.94Å; E685-D689 WeakPolarHBondContact O-CB 3.24Å; E685-D689 PolarHBondContact O-N 3.47Å
686	E	53.7	Low	52.3	Low	147 Å²	147	108.9 Å²	108.9	69%	0.687	57%	0.567	S	S	*	*	H	α-helix	trans	-60.6	-35.8	170.4	-81.1	-169.5	164.1	0	0	111.9	D682 S690	D682-E686 WeakPolarHBondContact O-CB 3.44Å; D682-E686 WeakPolarHBondContact O-CG 3.43Å; D682-E686 PolarHBondContact O-N 3.29Å; E686-S690 WeakPolarHBondContact O-CB 3.47Å; E686-S690 PolarHBondContact O-N 3.45Å; E686-S690 PolarHBondContact O-OG 3.16Å
687	Q	51.2	Low	52.1	Low	115 Å²	115	107.2 Å²	107.2	54%	0.537	57%	0.565	S	S	.	*	H	α-helix	trans	-70	-39.1	175.1	-82.8	177.4	42.8	0	0	113.3	E683 E684 E685 S690 M691	E683-Q687 VanDerWaalsContact O-CB 3.29Å; E683-Q687 WeakPolarHBondContact O-CB 3.34Å; E683-Q687 VanDerWaalsContact O-CG 3.24Å; E683-Q687 WeakPolarHBondContact O-CG 3.41Å; E683-Q687 PolarHBondContact O-N 3.4Å; E684-Q687 PolarHBondContact O-N 2.88Å; E685-Q687 VanDerWaalsContact C-N 3.27Å; E685-Q687 PolarHBondContact O-N 3.49Å; Q687-S690 WeakPolarHBondContact CA-OG 3.29Å; Q687-S690 PolarHBondContact O-OG 3.19Å; Q687-M691 WeakPolarHBondContact O-CB 3.34Å; Q687-M691 PolarHBondContact O-N 3.2Å
688	N	50.9	Low	52.4	Low	118 Å²	118	113.3 Å²	113.3	63%	0.631	59%	0.59	S	S	*	*	H	α-helix	trans	-71.9	-40.1	176.9	-94.7	-24.2	0	0	0	111.7	E684 E685 M691 S692	E684-N688 WeakPolarHBondContact O-CB 3.41Å; E684-N688 PolarHBondContact O-N 2.88Å; E685-N688 PolarHBondContact O-N 2.94Å; N688-M691 PolarHBondContact O-N 3.33Å; N688-S692 PolarHBondContact O-N 2.88Å
689	D	48.8	Very low	53.5	Low	128 Å²	128	111 Å²	111	68%	0.684	58%	0.576	S	S	*	*	H	α-helix	trans	-66.3	-40	174.7	-114.8	10.1	0	0	0	110.8	E685 M691 S692	E685-D689 WeakPolarHBondContact O-CB 3.24Å; E685-D689 PolarHBondContact O-N 3.47Å; D689-M691 PolarHBondContact O-N 3.29Å; D689-S692 PolarHBondContact O-N 3.47Å; D689-S692 PolarHBondContact O-OG 2.88Å
690	S	48.9	Very low	54.5	Low	48 Å²	48	113.5 Å²	113.5	34%	0.336	59%	0.593	S	S	.	*	H	α-helix	trans	-74.8	-17.8	174.9	62.3	0	0	0	0	114.5	E686 Q687 S692 F693	E686-S690 WeakPolarHBondContact O-CB 3.47Å; E686-S690 PolarHBondContact O-N 3.45Å; E686-S690 PolarHBondContact O-OG 3.16Å; Q687-S690 WeakPolarHBondContact CA-OG 3.29Å; Q687-S690 PolarHBondContact O-OG 3.19Å; S690-S692 VanDerWaalsContact C-N 3.32Å; S690-F693 CarbonylContact O-C 3.57Å; S690-F693 VanDerWaalsContact O-O 3.07Å
691	M	44.8	Very low	55.7	Low	144 Å²	144	110.5 Å²	110.5	71%	0.709	58%	0.584	S	S	*	*	H	α-helix	trans	-74.2	-23.5	168.3	-114.5	-175.3	-171.1	0	0	112.6	Q687 N688 D689	Q687-M691 WeakPolarHBondContact O-CB 3.34Å; Q687-M691 PolarHBondContact O-N 3.2Å; N688-M691 PolarHBondContact O-N 3.33Å; D689-M691 PolarHBondContact O-N 3.29Å
692	S	44.1	Very low	57.3	Low	89 Å²	89	108.5 Å²	108.5	62%	0.622	58%	0.579	S	S	*	*	H	α-helix	trans	-79.6	-24.7	177.2	83.1	0	0	0	0	113.3	N688 D689 S690	N688-S692 PolarHBondContact O-N 2.88Å; D689-S692 PolarHBondContact O-N 3.47Å; D689-S692 PolarHBondContact O-OG 2.88Å; S690-S692 VanDerWaalsContact C-N 3.32Å
693	F	38.2	Very low	59.1	Low	155 Å²	155	108.3 Å²	108.3	68%	0.68	57%	0.573	S	S	*	*	S	Bend	trans	-121.2	95.8	176.6	-115	-97.4	0	0	0	110	S690 I695	S690-F693 CarbonylContact O-C 3.57Å; S690-F693 VanDerWaalsContact O-O 3.07Å; F693-I695 PolarHBondContact O-N 3.25Å
694	G	38	Very low	61	Low	84 Å²	84	108.4 Å²	108.4	87%	0.866	57%	0.569	S	S	*	*			trans	-67.9	45.1	-173.4	0	0	0	0	0	117
695	I	45.9	Very low	63	Low	133 Å²	133	104.3 Å²	104.3	68%	0.682	55%	0.554	S	S	*	*	S	Bend	trans	-121.1	112.9	170.3	-56.7	176.7	0	0	0	106.1	F693	F693-I695 PolarHBondContact O-N 3.25Å
696	L	49.8	Very low	65.1	Low	99 Å²	99	97.7 Å²	97.7	52%	0.518	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-53.9	125.3	171	-69.2	161.8	0	0	0	107.4	E698 R887	L696-E698 PolarHBondContact O-N 2.83Å; L696-R887 HydrophobicContact CD2-CB 3.75Å; L696-R887 HydrophobicContact CD2-CG 4.2Å
697	P	57.5	Low	67.1	Low	75 Å²	75	93.4 Å²	93.4	49%	0.487	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-57.1	117.1	176	20.4	-29.5	0	0	0	108.2	R699 R888	P697-R699 PolarHBondContact O-N 3.18Å; P697-R888 HydrophobicContact CG-CB 4.33Å
698	E	69.3	Low	69.3	Low	168 Å²	168	88.6 Å²	88.6	79%	0.785	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-61.1	130.5	179	-173.2	171.9	-169.7	0	0	108.5	L696 V700	L696-E698 PolarHBondContact O-N 2.83Å; E698-V700 PolarHBondContact O-N 3.33Å
699	R	79.7	Confident	71.4	Confident	65 Å²	65	84.7 Å²	84.7	25%	0.245	46%	0.463	C	S	.	.			trans	-64.2	109	172.7	173.6	178.9	171.7	-98	2.5	107.9	P697 P701 Y703 E851 R888	P697-R699 PolarHBondContact O-N 3.18Å; R699-P701 HydrophobicContact CG-CG 4.45Å; R699-P701 WeakPolarHBondContact O-CD 3.48Å; R699-Y703 PolarHBondContact NH2-OH 3.32Å; R699-E851 IonicContact CZ-OE1 3.45Å; R699-E851 IonicContact NE-OE1 2.61Å; R699-E851 PolarHBondContact NE-OE1 3.34Å; R699-E851 VanDerWaalsContact NE-OE1 3.1Å; R699-E851 IonicContact NE-OE2 3.24Å; R699-E851 PolarHBondContact NE-OE2 3.36Å; R699-E851 VanDerWaalsContact NE-OE2 3.17Å; R699-E851 IonicContact NH2-OE1 3.1Å; R699-E851 PolarHBondContact NH2-OE1 2.89Å; R699-R888 HydrophobicContact CB-CG 4.34Å
700	V	81.7	Confident	73.6	Confident	122 Å²	122	80.5 Å²	80.5	74%	0.739	44%	0.441	S	S	*	.			trans	-104.2	102.6	172.5	-175.5	0	0	0	0	108.6	E698	E698-V700 PolarHBondContact O-N 3.33Å
701	P	87	Confident	75.8	Confident	48 Å²	48	80.3 Å²	80.3	31%	0.312	44%	0.435	S	S	.	.			trans	-70.4	137.9	179.8	-18.7	33.6	0	0	0	112.2	R699 Y703 N849	R699-P701 HydrophobicContact CG-CG 4.45Å; R699-P701 WeakPolarHBondContact O-CD 3.48Å; P701-Y703 HydrophobicContact CB-CD2 3.64Å; P701-Y703 HydrophobicContact CB-CE2 3.3Å; P701-Y703 HydrophobicContact CB-CG 4.42Å; P701-Y703 HydrophobicContact CG-CE2 3.87Å; P701-N849 WeakPolarHBondContact CA-OD1 3.47Å; P701-N849 HydrophobicContact CB-CB 4.32Å
702	D	91.2	Very high	77.9	Confident	90 Å²	90	74.5 Å²	74.5	48%	0.481	41%	0.406	S	S	.	.			trans	-108.3	79	167	-178.8	28.9	0	0	0	108.7	R704 N849	D702-R704 PolarHBondContact O-N 2.97Å; D702-R704 IonicContact OD1-NE 3.1Å; D702-R704 IonicContact OD2-CZ 3.8Å; D702-R704 IonicContact OD2-NE 2.62Å; D702-R704 PolarHBondContact OD2-NE 3.2Å; D702-R704 IonicContact OD2-NH2 3.06Å; D702-R704 PolarHBondContact OD2-NH2 2.91Å; D702-N849 PolarHBondContact N-OD1 2.85Å
703	Y	94.8	Very high	79.7	Confident	73 Å²	73	74.9 Å²	74.9	29%	0.286	41%	0.407	S	S	.	.			trans	-74	123.7	-178.6	-75.2	-66.9	0	0	0	111.5	R699 P701 M847 L848 N849 T861 L863	R699-Y703 PolarHBondContact NH2-OH 3.32Å; P701-Y703 HydrophobicContact CB-CD2 3.64Å; P701-Y703 HydrophobicContact CB-CE2 3.3Å; P701-Y703 HydrophobicContact CB-CG 4.42Å; P701-Y703 HydrophobicContact CG-CE2 3.87Å; Y703-M847 HydrophobicContact CD1-CB 4.09Å; Y703-M847 HydrophobicContact CG-CB 4.4Å; Y703-L848 WeakPolarHBondContact CA-O 3.18Å; Y703-N849 HydrophobicContact CD1-CB 3.52Å; Y703-N849 HydrophobicContact CE1-CB 3.39Å; Y703-N849 HydrophobicContact CG-CB 4.23Å; Y703-T861 HydrophobicContact CE1-CG2 4.43Å; Y703-L863 HydrophobicContact CD1-CD1 4.05Å; Y703-L863 HydrophobicContact CD1-CG 4.28Å; Y703-L863 HydrophobicContact CD2-CD1 4.43Å; Y703-L863 HydrophobicContact CE1-CD1 3.58Å; Y703-L863 HydrophobicContact CE1-CD2 4.41Å; Y703-L863 HydrophobicContact CE1-CG 3.67Å; Y703-L863 HydrophobicContact CE2-CD1 3.97Å; Y703-L863 HydrophobicContact CG-CD1 4.47Å
704	R	96.5	Very high	81.9	Confident	107 Å²	107	73.1 Å²	73.1	40%	0.404	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	140.2	176.3	-59.5	-171.2	-174.2	-164.9	3.1	111.7	D702 V706 Y721 M847 L848	D702-R704 PolarHBondContact O-N 2.97Å; D702-R704 IonicContact OD1-NE 3.1Å; D702-R704 IonicContact OD2-CZ 3.8Å; D702-R704 IonicContact OD2-NE 2.62Å; D702-R704 PolarHBondContact OD2-NE 3.2Å; D702-R704 IonicContact OD2-NH2 3.06Å; D702-R704 PolarHBondContact OD2-NH2 2.91Å; R704-V706 PolarHBondContact O-N 3.38Å; R704-Y721 HydrophobicContact CB-CD1 3.94Å; R704-Y721 HydrophobicContact CB-CE1 3.95Å; R704-M847 WeakPolarHBondContact O-CA 3.34Å; R704-L848 PolarHBondContact N-O 2.84Å; R704-L848 PolarHBondContact O-N 3.12Å
705	P	96.9	Very high	84.4	Confident	44 Å²	44	69.5 Å²	69.5	29%	0.286	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	127.8	177.3	27.3	-32.6	0	0	0	110.8	F722 Q845 C846 M847	P705-F722 HydrophobicContact CB-CB 4.18Å; P705-F722 HydrophobicContact CB-CD2 4.05Å; P705-F722 HydrophobicContact CB-CG 4.23Å; P705-F722 HydrophobicContact CG-CB 4.04Å; P705-F722 PolarHBondContact O-N 2.75Å; P705-Q845 HydrophobicContact CB-CG 4.48Å; P705-C846 CarbonylContact C-O 3.6Å; P705-C846 WeakPolarHBondContact CA-O 3.48Å; P705-M847 HydrophobicContact CB-SD 3.93Å
706	V	97.8	Very high	86.7	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	158	179	-58.4	0	0	0	0	111.9	R704 V719 Q720 Y721 C846 L848 L862	R704-V706 PolarHBondContact O-N 3.38Å; V706-V719 HydrophobicContact CB-CB 4.14Å; V706-V719 HydrophobicContact CG2-CB 4.34Å; V706-V719 HydrophobicContact CG2-CG1 4.25Å; V706-Q720 CarbonylContact C-O 3.48Å; V706-Q720 WeakPolarHBondContact CA-O 3.47Å; V706-Q720 WeakPolarHBondContact CB-O 3.46Å; V706-Y721 HydrophobicContact CG1-CD1 3.49Å; V706-Y721 VanDerWaalsContact CG1-CD1 3.49Å; V706-Y721 HydrophobicContact CG1-CD2 4.4Å; V706-Y721 HydrophobicContact CG1-CE1 3.65Å; V706-Y721 HydrophobicContact CG1-CG 3.9Å; V706-C846 HydrophobicContact CG2-CB 4.23Å; V706-C846 PolarHBondContact N-O 3.01Å; V706-C846 PolarHBondContact O-N 3.28Å; V706-L848 HydrophobicContact CB-CB 4.38Å; V706-L848 HydrophobicContact CG1-CB 3.84Å; V706-L848 HydrophobicContact CG1-CD1 4.19Å; V706-L848 HydrophobicContact CG2-CB 3.59Å; V706-L848 HydrophobicContact CG2-CD1 4.03Å; V706-L848 HydrophobicContact CG2-CG 4.49Å; V706-L862 HydrophobicContact CG2-CD1 3.91Å
707	L	96.6	Very high	88.9	Confident	56 Å²	56	63 Å²	63	29%	0.293	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.5	168.6	-176.7	69.2	0	0	0	108.9	V719 Q720 F722	L707-V719 CarbonylContact O-C 3.6Å; L707-V719 VanDerWaalsContact O-CA 3.23Å; L707-V719 WeakPolarHBondContact O-CA 3.26Å; L707-Q720 PolarHBondContact N-O 3.09Å; L707-Q720 PolarHBondContact O-N 3.25Å; L707-F722 HydrophobicContact CB-CE2 4.03Å
708	V	96.7	Very high	90.8	Very high	14 Å²	14	60 Å²	60	9%	0.085	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	120.8	171.5	179.2	0	0	0	0	108.9	I711 F717 F718 V719 V841 L862	V708-I711 HydrophobicContact CG1-CD1 4.46Å; V708-I711 HydrophobicContact CG1-CG1 3.96Å; V708-F717 HydrophobicContact CG1-CB 4.23Å; V708-F717 HydrophobicContact CG1-CD2 4.25Å; V708-F717 HydrophobicContact CG2-CD2 4.19Å; V708-F717 HydrophobicContact CG2-CE2 4.49Å; V708-F718 WeakPolarHBondContact CA-O 3Å; V708-V719 HydrophobicContact CG2-CG1 4.15Å; V708-V841 HydrophobicContact CB-CB 4.11Å; V708-V841 HydrophobicContact CB-CG2 3.85Å; V708-V841 HydrophobicContact CG1-CG2 3.85Å; V708-V841 HydrophobicContact CG2-CB 3.76Å; V708-V841 HydrophobicContact CG2-CG1 4.3Å; V708-V841 HydrophobicContact CG2-CG2 3.88Å; V708-L862 HydrophobicContact CG2-CD2 4.14Å
709	T	95.2	Very high	92.1	Very high	36 Å²	36	52 Å²	52	22%	0.221	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-25.9	-172.7	53.7	0	0	0	0	114.3	F718 Q720 F788	T709-F718 PolarHBondContact N-O 2.85Å; T709-F718 PolarHBondContact OG1-O 3.05Å; T709-Q720 HydrophobicContact CG2-CB 4.14Å; T709-Q720 HydrophobicContact CG2-CG 3.65Å; T709-F788 WeakPolarHBondContact CB-O 3.28Å; T709-F788 HydrophobicContact CG2-CD1 4.36Å; T709-F788 PolarHBondContact OG1-O 2.84Å
710	D	95.5	Very high	93	Very high	41 Å²	41	50.4 Å²	50.4	22%	0.219	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	145.4	176.8	-174.4	71.8	0	0	0	110.6	F717 F718 F788 N790	D710-F717 CarbonylContact O-C 3.57Å; D710-F717 WeakPolarHBondContact O-CA 3.28Å; D710-F717 VanDerWaalsContact O-CB 3.32Å; D710-F717 WeakPolarHBondContact O-CB 3.27Å; D710-F718 HydrophobicContact CB-CB 4.37Å; D710-F718 HydrophobicContact CB-CD2 4.2Å; D710-F718 PolarHBondContact O-N 3.35Å; D710-F788 WeakPolarHBondContact CB-O 3.48Å; D710-N790 HydrophobicContact CB-CB 4.2Å; D710-N790 WeakPolarHBondContact OD1-CA 3.38Å; D710-N790 WeakPolarHBondContact OD1-CB 3.4Å
711	I	94.1	Very high	93.7	Very high	43 Å²	43	46.2 Å²	46.2	22%	0.221	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	122.8	178.1	-56.9	169.8	0	0	0	108.6	V708 F717 F837 D838 V841	V708-I711 HydrophobicContact CG1-CD1 4.46Å; V708-I711 HydrophobicContact CG1-CG1 3.96Å; I711-F717 HydrophobicContact CG1-CB 4.23Å; I711-F837 HydrophobicContact CD1-CD1 3.8Å; I711-F837 HydrophobicContact CD1-CE1 3.99Å; I711-F837 HydrophobicContact CG1-CD1 4.28Å; I711-F837 HydrophobicContact CG1-CE1 4.1Å; I711-F837 HydrophobicContact CG2-CD1 4.2Å; I711-F837 HydrophobicContact CG2-CE1 4.44Å; I711-D838 HydrophobicContact CD1-CB 3.75Å; I711-D838 WeakPolarHBondContact CD1-OD1 3.36Å; I711-V841 HydrophobicContact CD1-CG2 4Å
712	Q	90.2	Very high	94	Very high	22 Å²	22	48.5 Å²	48.5	10%	0.103	24%	0.239	C	C	.	.			trans	-93.6	162.4	-178.5	-66	-169.8	16.5	0	0	112.9	N714 L715 R716 F718 R791 E815	Q712-N714 PolarHBondContact O-N 2.99Å; Q712-L715 PolarHBondContact O-N 3.44Å; Q712-R716 WeakPolarHBondContact CA-O 3.46Å; Q712-R716 HydrophobicContact CB-CB 4.05Å; Q712-R716 WeakPolarHBondContact CB-O 3.3Å; Q712-R716 PolarHBondContact N-O 2.56Å; Q712-F718 HydrophobicContact CG-CD2 4.49Å; Q712-F718 HydrophobicContact CG-CE2 4.18Å; Q712-R791 VanDerWaalsContact CD-NH1 3.32Å; Q712-E815 PolarHBondContact NE2-OE1 2.9Å; Q712-E815 PolarHBondContact OE1-OE1 2.84Å
713	P	80.5	Confident	94	Very high	97 Å²	97	49.1 Å²	49.1	63%	0.63	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	125.4	163.6	-22.1	33.3	0	0	0	110
714	N	86	Confident	93.9	Very high	118 Å²	118	49.5 Å²	49.5	63%	0.631	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.7	24.4	-179.9	-45.6	-39.5	0	0	0	117.5	Q712 R716 L823	Q712-N714 PolarHBondContact O-N 2.99Å; N714-R716 PolarHBondContact O-N 3.26Å; N714-R716 VanDerWaalsContact O-N 3.09Å; N714-L823 VanDerWaalsContact C-CD1 3.49Å; N714-L823 VanDerWaalsContact CA-CD1 3.44Å; N714-L823 HydrophobicContact CB-CD1 4.32Å
715	L	89.7	Confident	93.6	Very high	9 Å²	9	45.8 Å²	45.8	5%	0.047	24%	0.242	C	C	.	.	S	Bend	trans	56	24.5	-177.9	-73.9	-179.7	0	0	0	113.8	Q712 F717 L823 M834 F837	Q712-L715 PolarHBondContact O-N 3.44Å; L715-F717 WeakPolarHBondContact O-CD1 3.45Å; L715-L823 HydrophobicContact CB-CD1 4.3Å; L715-L823 HydrophobicContact CB-CG 4.37Å; L715-L823 HydrophobicContact CD1-CD1 4.43Å; L715-L823 HydrophobicContact CD1-CD2 3.42Å; L715-L823 VanDerWaalsContact CD1-CD2 3.42Å; L715-L823 HydrophobicContact CD1-CG 3.75Å; L715-L823 HydrophobicContact CG-CD1 4.06Å; L715-L823 HydrophobicContact CG-CD2 3.75Å; L715-L823 HydrophobicContact CG-CG 3.93Å; L715-M834 HydrophobicContact CD2-CG 3.98Å; L715-M834 HydrophobicContact CG-CG 4.25Å; L715-F837 HydrophobicContact CD2-CB 3.8Å; L715-F837 HydrophobicContact CD2-CD1 3.86Å; L715-F837 HydrophobicContact CD2-CG 3.89Å
716	R	94	Very high	93.4	Very high	94 Å²	94	51.9 Å²	51.9	36%	0.355	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	145.4	159.1	-66	-174.8	-179.5	-169.9	-3.2	107.6	Q712 N714 C816 I857	Q712-R716 WeakPolarHBondContact CA-O 3.46Å; Q712-R716 HydrophobicContact CB-CB 4.05Å; Q712-R716 WeakPolarHBondContact CB-O 3.3Å; Q712-R716 PolarHBondContact N-O 2.56Å; N714-R716 PolarHBondContact O-N 3.26Å; N714-R716 VanDerWaalsContact O-N 3.09Å; R716-C816 WeakPolarHBondContact CA-O 3.3Å; R716-I857 VanDerWaalsContact NH1-CD1 3.34Å
717	F	96.3	Very high	93.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	162.9	-178.4	57.4	-83.9	0	0	0	109.6	V708 D710 I711 L715 V719 C816 L818 F837 V860	V708-F717 HydrophobicContact CG1-CB 4.23Å; V708-F717 HydrophobicContact CG1-CD2 4.25Å; V708-F717 HydrophobicContact CG2-CD2 4.19Å; V708-F717 HydrophobicContact CG2-CE2 4.49Å; D710-F717 CarbonylContact O-C 3.57Å; D710-F717 WeakPolarHBondContact O-CA 3.28Å; D710-F717 VanDerWaalsContact O-CB 3.32Å; D710-F717 WeakPolarHBondContact O-CB 3.27Å; I711-F717 HydrophobicContact CG1-CB 4.23Å; L715-F717 WeakPolarHBondContact O-CD1 3.45Å; F717-V719 HydrophobicContact CD2-CG1 3.68Å; F717-V719 HydrophobicContact CE2-CG1 3.64Å; F717-C816 HydrophobicContact CD2-CB 4.22Å; F717-C816 HydrophobicContact CE1-CB 4.35Å; F717-C816 HydrophobicContact CE2-CB 3.74Å; F717-C816 HydrophobicContact CZ-CB 3.82Å; F717-C816 PolarHBondContact N-O 3.37Å; F717-C816 PolarHBondContact O-N 3.45Å; F717-L818 HydrophobicContact CE1-CD2 4.08Å; F717-L818 HydrophobicContact CE1-CG 3.97Å; F717-L818 HydrophobicContact CZ-CD2 4.1Å; F717-L818 HydrophobicContact CZ-CG 4.49Å; F717-F837 HydrophobicContact CB-CE1 4.13Å; F717-F837 AromaticContact CD1-CE1 3.82Å; F717-F837 HydrophobicContact CD1-CE1 3.82Å; F717-F837 AromaticContact CD1-CZ 3.73Å; F717-F837 HydrophobicContact CD1-CZ 3.73Å; F717-F837 HydrophobicContact CD2-CZ 4.29Å; F717-F837 HydrophobicContact CE1-CE1 4.41Å; F717-F837 AromaticContact CE1-CZ 3.87Å; F717-F837 HydrophobicContact CE1-CZ 3.87Å; F717-F837 HydrophobicContact CE2-CZ 4.39Å; F717-F837 AromaticContact CG-CE1 3.94Å; F717-F837 HydrophobicContact CG-CE1 3.94Å; F717-F837 AromaticContact CG-CZ 3.97Å; F717-F837 HydrophobicContact CG-CZ 3.97Å; F717-F837 HydrophobicContact CZ-CZ 4.2Å; F717-V860 HydrophobicContact CE2-CG2 4.42Å; F717-V860 HydrophobicContact CZ-CG2 3.77Å
718	F	97.4	Very high	93.1	Very high	14 Å²	14	54.2 Å²	54.2	6%	0.061	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	144.8	176.4	-74.2	-87.1	0	0	0	110.6	V708 T709 D710 Q712 I784 F788 G789 A813 K814 E815	V708-F718 WeakPolarHBondContact CA-O 3Å; T709-F718 PolarHBondContact N-O 2.85Å; T709-F718 PolarHBondContact OG1-O 3.05Å; D710-F718 HydrophobicContact CB-CB 4.37Å; D710-F718 HydrophobicContact CB-CD2 4.2Å; D710-F718 PolarHBondContact O-N 3.35Å; Q712-F718 HydrophobicContact CG-CD2 4.49Å; Q712-F718 HydrophobicContact CG-CE2 4.18Å; F718-I784 HydrophobicContact CE1-CD1 4.46Å; F718-I784 HydrophobicContact CE2-CD1 4.14Å; F718-I784 HydrophobicContact CZ-CD1 3.67Å; F718-F788 WeakPolarHBondContact CB-O 3.21Å; F718-G789 VanDerWaalsContact CE2-CA 3.43Å; F718-G789 VanDerWaalsContact CE2-O 3.25Å; F718-G789 WeakPolarHBondContact CE2-O 3.41Å; F718-G789 VanDerWaalsContact CG-CA 3.48Å; F718-A813 HydrophobicContact CB-CB 4.12Å; F718-A813 HydrophobicContact CD1-CB 3.93Å; F718-A813 HydrophobicContact CG-CB 4.39Å; F718-K814 WeakPolarHBondContact CA-O 3.05Å; F718-E815 HydrophobicContact CD1-CB 3.94Å; F718-E815 HydrophobicContact CD1-CG 4.48Å; F718-E815 HydrophobicContact CE1-CB 3.51Å; F718-E815 HydrophobicContact CE1-CG 4.01Å; F718-E815 HydrophobicContact CZ-CB 4.05Å; F718-E815 HydrophobicContact CZ-CG 4.05Å
719	V	97.4	Very high	92.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	147.8	178.2	-60.8	0	0	0	0	111.5	V706 L707 V708 F717 Y721 A813 K814 L848	V706-V719 HydrophobicContact CB-CB 4.14Å; V706-V719 HydrophobicContact CG2-CB 4.34Å; V706-V719 HydrophobicContact CG2-CG1 4.25Å; L707-V719 CarbonylContact O-C 3.6Å; L707-V719 VanDerWaalsContact O-CA 3.23Å; L707-V719 WeakPolarHBondContact O-CA 3.26Å; V708-V719 HydrophobicContact CG2-CG1 4.15Å; F717-V719 HydrophobicContact CD2-CG1 3.68Å; F717-V719 HydrophobicContact CE2-CG1 3.64Å; V719-Y721 HydrophobicContact CG2-CE2 4.28Å; V719-A813 WeakPolarHBondContact O-CA 3.36Å; V719-K814 HydrophobicContact CG2-CB 4.28Å; V719-K814 PolarHBondContact N-O 3.25Å; V719-K814 PolarHBondContact O-N 2.96Å; V719-L848 HydrophobicContact CB-CD1 4.47Å; V719-L848 HydrophobicContact CG1-CD1 4.15Å; V719-L848 HydrophobicContact CG2-CD1 3.87Å
720	Q	97.1	Very high	92.9	Very high	31 Å²	31	64 Å²	64	15%	0.145	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.1	164.7	-73.5	177.2	-4.8	0	0	109.4	V706 L707 T709 L728 D787 F788	V706-Q720 CarbonylContact C-O 3.48Å; V706-Q720 WeakPolarHBondContact CA-O 3.47Å; V706-Q720 WeakPolarHBondContact CB-O 3.46Å; L707-Q720 PolarHBondContact N-O 3.09Å; L707-Q720 PolarHBondContact O-N 3.25Å; T709-Q720 HydrophobicContact CG2-CB 4.14Å; T709-Q720 HydrophobicContact CG2-CG 3.65Å; Q720-L728 HydrophobicContact CG-CD2 4.21Å; Q720-D787 PolarHBondContact NE2-O 2.84Å; Q720-F788 VanDerWaalsContact NE2-CD1 3.35Å; Q720-F788 VanDerWaalsContact NE2-CE1 3.31Å
721	Y	96.1	Very high	93	Very high	33 Å²	33	62.4 Å²	62.4	13%	0.129	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	135.8	174.3	-68.9	-99.1	0	0	0	110.5	R704 V706 V719 D723 Q724 G725 K814 L848	R704-Y721 HydrophobicContact CB-CD1 3.94Å; R704-Y721 HydrophobicContact CB-CE1 3.95Å; V706-Y721 HydrophobicContact CG1-CD1 3.49Å; V706-Y721 VanDerWaalsContact CG1-CD1 3.49Å; V706-Y721 HydrophobicContact CG1-CD2 4.4Å; V706-Y721 HydrophobicContact CG1-CE1 3.65Å; V706-Y721 HydrophobicContact CG1-CG 3.9Å; V719-Y721 HydrophobicContact CG2-CE2 4.28Å; Y721-D723 VanDerWaalsContact C-N 3.25Å; Y721-D723 WeakPolarHBondContact CB-OD1 3.47Å; Y721-D723 PolarHBondContact O-N 3.42Å; Y721-Q724 PolarHBondContact O-N 2.73Å; Y721-Q724 VanDerWaalsContact O-N 3.15Å; Y721-G725 PolarHBondContact O-N 3.49Å; Y721-K814 HydrophobicContact CE2-CB 4.37Å; Y721-L848 HydrophobicContact CE1-CD2 4.41Å; Y721-L848 WeakPolarHBondContact OH-CD2 3.46Å
722	F	93.2	Very high	93	Very high	97 Å²	97	61.2 Å²	61.2	43%	0.425	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-63.9	-31	-179.5	-86.1	-108.5	0	0	0	112.7	P705 L707 Q724 G725 Q845	P705-F722 HydrophobicContact CB-CB 4.18Å; P705-F722 HydrophobicContact CB-CD2 4.05Å; P705-F722 HydrophobicContact CB-CG 4.23Å; P705-F722 HydrophobicContact CG-CB 4.04Å; P705-F722 PolarHBondContact O-N 2.75Å; L707-F722 HydrophobicContact CB-CE2 4.03Å; F722-Q724 PolarHBondContact O-N 2.61Å; F722-G725 PolarHBondContact O-N 2.9Å; F722-G725 VanDerWaalsContact O-N 3.08Å; F722-Q845 HydrophobicContact CE2-CB 4.34Å; F722-Q845 HydrophobicContact CE2-CG 3.78Å; F722-Q845 HydrophobicContact CZ-CB 4.12Å; F722-Q845 HydrophobicContact CZ-CG 3.86Å
723	D	92.6	Very high	93.3	Very high	103 Å²	103	63.7 Å²	63.7	55%	0.551	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-66.2	-19.6	177.8	65.5	-3.1	0	0	0	113.5	Y721	Y721-D723 VanDerWaalsContact C-N 3.25Å; Y721-D723 WeakPolarHBondContact CB-OD1 3.47Å; Y721-D723 PolarHBondContact O-N 3.42Å
724	Q	91.6	Very high	94	Very high	80 Å²	80	62.6 Å²	62.6	37%	0.374	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-98.2	-5.4	175.5	-68.9	168.3	36.1	0	0	112.7	Y721 F722 E726 V727 L728	Y721-Q724 PolarHBondContact O-N 2.73Å; Y721-Q724 VanDerWaalsContact O-N 3.15Å; F722-Q724 PolarHBondContact O-N 2.61Å; Q724-E726 PolarHBondContact O-N 3.34Å; Q724-V727 PolarHBondContact O-N 3.46Å; Q724-L728 WeakPolarHBondContact O-CB 3.39Å; Q724-L728 PolarHBondContact O-N 3.41Å
725	G	91	Very high	94.4	Very high	29 Å²	29	57 Å²	57	30%	0.299	28%	0.281	S	S	.	.	H	α-helix	trans	-57.3	-50.7	-172.7	0	0	0	0	0	113.5	Y721 F722 V727 L728 E729	Y721-G725 PolarHBondContact O-N 3.49Å; F722-G725 PolarHBondContact O-N 2.9Å; F722-G725 VanDerWaalsContact O-N 3.08Å; G725-V727 VanDerWaalsContact C-N 3.32Å; G725-V727 PolarHBondContact O-N 3.45Å; G725-L728 PolarHBondContact O-N 2.8Å; G725-E729 WeakPolarHBondContact O-CB 3.23Å; G725-E729 PolarHBondContact O-N 2.83Å
726	E	91.6	Very high	94.6	Very high	172 Å²	172	59 Å²	59	80%	0.804	29%	0.287	S	S	*	.	H	α-helix	trans	-61.7	-39.9	-179.3	-64.7	-173.9	174.4	0	0	112.4	Q724 K730	Q724-E726 PolarHBondContact O-N 3.34Å; E726-K730 WeakPolarHBondContact O-CB 3.22Å; E726-K730 PolarHBondContact O-N 3.35Å
727	V	93.4	Very high	94.6	Very high	91 Å²	91	57.4 Å²	57.4	55%	0.552	29%	0.294	S	S	*	.	H	α-helix	trans	-68.7	-43.4	179.4	178.5	0	0	0	0	110.5	Q724 G725 M731	Q724-V727 PolarHBondContact O-N 3.46Å; G725-V727 VanDerWaalsContact C-N 3.32Å; G725-V727 PolarHBondContact O-N 3.45Å; V727-M731 VanDerWaalsContact O-CB 3.3Å; V727-M731 WeakPolarHBondContact O-CB 3.41Å; V727-M731 PolarHBondContact O-N 2.99Å
728	L	94.6	Very high	94.4	Very high	15 Å²	15	60.9 Å²	60.9	8%	0.079	31%	0.313	C	S	.	.	H	α-helix	trans	-65.7	-45.8	178.6	-176.8	56.5	0	0	0	111.1	Q720 Q724 G725 M731 M732 D787	Q720-L728 HydrophobicContact CG-CD2 4.21Å; Q724-L728 WeakPolarHBondContact O-CB 3.39Å; Q724-L728 PolarHBondContact O-N 3.41Å; G725-L728 PolarHBondContact O-N 2.8Å; L728-M731 HydrophobicContact CD1-CE 3.56Å; L728-M731 PolarHBondContact O-N 3.24Å; L728-M732 HydrophobicContact CD1-CG 4.36Å; L728-M732 HydrophobicContact CD1-SD 4.49Å; L728-M732 HydrophobicContact CG-CE 3.94Å; L728-M732 HydrophobicContact CG-SD 4.4Å; L728-M732 WeakPolarHBondContact O-CB 3.45Å; L728-M732 VanDerWaalsContact O-CG 3.31Å; L728-M732 WeakPolarHBondContact O-CG 3.41Å; L728-M732 PolarHBondContact O-N 2.84Å; L728-D787 HydrophobicContact CD1-CB 4.13Å
729	E	94.2	Very high	94.1	Very high	118 Å²	118	60.8 Å²	60.8	55%	0.551	31%	0.313	S	S	*	.	H	α-helix	trans	-62.5	-46.4	179.3	-172.8	177.6	-178.1	0	0	111.9	G725 M731 M732 N733	G725-E729 WeakPolarHBondContact O-CB 3.23Å; G725-E729 PolarHBondContact O-N 2.83Å; E729-M731 PolarHBondContact O-N 2.87Å; E729-M732 PolarHBondContact O-N 3.27Å; E729-N733 WeakPolarHBondContact O-CB 3.45Å; E729-N733 VanDerWaalsContact O-CG 3.3Å; E729-N733 PolarHBondContact O-N 2.74Å; E729-N733 PolarHBondContact O-ND2 3.07Å
730	K	94.8	Very high	93.6	Very high	138 Å²	138	64.8 Å²	64.8	60%	0.6	35%	0.346	S	S	*	.	H	α-helix	trans	-57.9	-49.1	174.9	-176.8	-178.2	175.5	-172.6	0	111.3	E726 M732 N733 D734	E726-K730 WeakPolarHBondContact O-CB 3.22Å; E726-K730 PolarHBondContact O-N 3.35Å; K730-M732 VanDerWaalsContact C-N 3.34Å; K730-M732 PolarHBondContact O-N 2.93Å; K730-N733 PolarHBondContact O-N 3.44Å; K730-D734 VanDerWaalsContact O-CG 3.27Å; K730-D734 PolarHBondContact O-N 3.42Å
731	M	96.6	Very high	93.1	Very high	7 Å²	7	67.8 Å²	67.8	3%	0.034	37%	0.37	C	S	.	.	H	α-helix	trans	-61.9	-40.4	-179.8	-179.2	-88	-69.2	0	0	112.3	V727 L728 E729 D734 L735 R769 Y806 H809	V727-M731 VanDerWaalsContact O-CB 3.3Å; V727-M731 WeakPolarHBondContact O-CB 3.41Å; V727-M731 PolarHBondContact O-N 2.99Å; L728-M731 HydrophobicContact CD1-CE 3.56Å; L728-M731 PolarHBondContact O-N 3.24Å; E729-M731 PolarHBondContact O-N 2.87Å; M731-D734 PolarHBondContact O-N 3.07Å; M731-L735 WeakPolarHBondContact O-CB 3.08Å; M731-L735 PolarHBondContact O-N 3.39Å; M731-R769 VanDerWaalsContact CE-NE 3.34Å; M731-R769 HydrophobicContact SD-CG 4.42Å; M731-Y806 HydrophobicContact CG-CD1 3.87Å; M731-Y806 HydrophobicContact CG-CE1 4.5Å; M731-Y806 HydrophobicContact SD-CD1 4.14Å; M731-H809 HydrophobicContact CE-CB 4.4Å
732	M	95.4	Very high	92.4	Very high	18 Å²	18	68.8 Å²	68.8	9%	0.089	38%	0.382	C	S	.	.	H	α-helix	trans	-65.1	-40.8	175.4	-72.9	-173.6	-63.4	0	0	112.1	L728 E729 K730 L735 R736 Y768 F788	L728-M732 HydrophobicContact CD1-CG 4.36Å; L728-M732 HydrophobicContact CD1-SD 4.49Å; L728-M732 HydrophobicContact CG-CE 3.94Å; L728-M732 HydrophobicContact CG-SD 4.4Å; L728-M732 WeakPolarHBondContact O-CB 3.45Å; L728-M732 VanDerWaalsContact O-CG 3.31Å; L728-M732 WeakPolarHBondContact O-CG 3.41Å; L728-M732 PolarHBondContact O-N 2.84Å; E729-M732 PolarHBondContact O-N 3.27Å; K730-M732 VanDerWaalsContact C-N 3.34Å; K730-M732 PolarHBondContact O-N 2.93Å; M732-L735 PolarHBondContact O-N 2.94Å; M732-R736 WeakPolarHBondContact O-CB 3.3Å; M732-R736 WeakPolarHBondContact O-CD 3.18Å; M732-R736 WeakPolarHBondContact O-CG 3.47Å; M732-R736 PolarHBondContact O-N 3.16Å; M732-Y768 HydrophobicContact SD-CD1 4.14Å; M732-Y768 HydrophobicContact SD-CE1 3.94Å; M732-F788 HydrophobicContact CE-CZ 4.26Å; M732-F788 HydrophobicContact SD-CE2 3.68Å; M732-F788 HydrophobicContact SD-CZ 3.71Å
733	N	95	Very high	91.6	Very high	74 Å²	74	72.6 Å²	72.6	40%	0.396	41%	0.406	S	S	.	.	H	α-helix	trans	-66.4	-42.4	177.3	-71.3	-25.2	0	0	0	111.8	E729 K730 R736 A737	E729-N733 WeakPolarHBondContact O-CB 3.45Å; E729-N733 VanDerWaalsContact O-CG 3.3Å; E729-N733 PolarHBondContact O-N 2.74Å; E729-N733 PolarHBondContact O-ND2 3.07Å; K730-N733 PolarHBondContact O-N 3.44Å; N733-R736 PolarHBondContact O-N 3.1Å; N733-R736 PolarHBondContact OD1-NH1 3.25Å; N733-A737 WeakPolarHBondContact O-CB 3.36Å; N733-A737 PolarHBondContact O-N 3.07Å
734	D	95.3	Very high	90.6	Very high	74 Å²	74	71 Å²	71	40%	0.396	40%	0.403	S	S	.	.	H	α-helix	trans	-62.1	-47.2	175.1	-68	-17.8	0	0	0	110.7	K730 M731 R736 A737 D738 Y806	K730-D734 VanDerWaalsContact O-CG 3.27Å; K730-D734 PolarHBondContact O-N 3.42Å; M731-D734 PolarHBondContact O-N 3.07Å; D734-R736 PolarHBondContact O-N 3.05Å; D734-A737 PolarHBondContact O-N 3.15Å; D734-D738 PolarHBondContact O-N 3.16Å; D734-Y806 VanDerWaalsContact C-OH 3.24Å; D734-Y806 HydrophobicContact CB-CE1 3.98Å; D734-Y806 PolarHBondContact O-OH 3.31Å
735	L	95.8	Very high	89.6	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.005	39%	0.394	C	S	.	.	H	α-helix	trans	-57.1	-47.1	175.1	173.7	65.6	0	0	0	111.6	M731 M732 A737 D738 M739 R769 L802 P803 Y806	M731-L735 WeakPolarHBondContact O-CB 3.08Å; M731-L735 PolarHBondContact O-N 3.39Å; M732-L735 PolarHBondContact O-N 2.94Å; L735-A737 VanDerWaalsContact C-N 3.35Å; L735-A737 PolarHBondContact O-N 2.66Å; L735-D738 PolarHBondContact O-N 2.93Å; L735-M739 HydrophobicContact CD1-CG 3.81Å; L735-M739 HydrophobicContact CD1-SD 4.39Å; L735-M739 HydrophobicContact CG-CG 4.29Å; L735-M739 WeakPolarHBondContact O-CB 3.48Å; L735-M739 WeakPolarHBondContact O-CG 3.29Å; L735-M739 PolarHBondContact O-N 2.8Å; L735-R769 HydrophobicContact CD2-CG 3.77Å; L735-L802 HydrophobicContact CD1-CD1 3.92Å; L735-L802 HydrophobicContact CD2-CD1 4.35Å; L735-P803 HydrophobicContact CD1-CG 4.32Å; L735-Y806 HydrophobicContact CB-CD1 4.15Å; L735-Y806 HydrophobicContact CB-CD2 4.31Å; L735-Y806 HydrophobicContact CB-CE1 4.05Å; L735-Y806 HydrophobicContact CB-CE2 4.24Å; L735-Y806 HydrophobicContact CB-CG 4.28Å; L735-Y806 HydrophobicContact CD1-CD2 3.51Å; L735-Y806 HydrophobicContact CD1-CE2 3.8Å; L735-Y806 HydrophobicContact CD1-CG 4.02Å; L735-Y806 HydrophobicContact CG-CD2 4.48Å; L735-Y806 PolarHBondContact N-OH 2.74Å
736	R	94.1	Very high	89	Confident	49 Å²	49	69.3 Å²	69.3	19%	0.185	39%	0.393	C	S	.	.	H	α-helix	trans	-63	-42	180	-71.2	163.3	-172.4	158.9	-5.2	111.5	M732 N733 D734 M739 A740 Q766 Y768	M732-R736 WeakPolarHBondContact O-CB 3.3Å; M732-R736 WeakPolarHBondContact O-CD 3.18Å; M732-R736 WeakPolarHBondContact O-CG 3.47Å; M732-R736 PolarHBondContact O-N 3.16Å; N733-R736 PolarHBondContact O-N 3.1Å; N733-R736 PolarHBondContact OD1-NH1 3.25Å; D734-R736 PolarHBondContact O-N 3.05Å; R736-M739 PolarHBondContact O-N 2.9Å; R736-A740 VanDerWaalsContact O-CB 3.28Å; R736-A740 WeakPolarHBondContact O-CB 3.29Å; R736-A740 PolarHBondContact O-N 2.88Å; R736-Q766 HydrophobicContact CG-CB 4.48Å; R736-Y768 VanDerWaalsContact NH2-CZ 3.26Å; R736-Y768 PolarHBondContact NH2-OH 2.87Å
737	A	92.9	Very high	88	Confident	61 Å²	61	64.6 Å²	64.6	50%	0.504	38%	0.379	S	S	.	.	H	α-helix	trans	-63.2	-45.5	177.1	0	0	0	0	0	111.7	N733 D734 L735 M739 A740 S741	N733-A737 WeakPolarHBondContact O-CB 3.36Å; N733-A737 PolarHBondContact O-N 3.07Å; D734-A737 PolarHBondContact O-N 3.15Å; L735-A737 VanDerWaalsContact C-N 3.35Å; L735-A737 PolarHBondContact O-N 2.66Å; A737-M739 PolarHBondContact O-N 2.97Å; A737-A740 PolarHBondContact O-N 3.05Å; A737-S741 PolarHBondContact O-N 3.44Å
738	D	92.1	Very high	87	Confident	74 Å²	74	66.4 Å²	66.4	40%	0.396	40%	0.396	S	S	.	.	H	α-helix	trans	-60.8	-46.9	176.4	-86.5	2.9	0	0	0	111.5	D734 L735 A740 S741 S742 Y806	D734-D738 PolarHBondContact O-N 3.16Å; L735-D738 PolarHBondContact O-N 2.93Å; D738-A740 VanDerWaalsContact C-N 3.33Å; D738-A740 PolarHBondContact O-N 2.94Å; D738-S741 PolarHBondContact O-N 3.25Å; D738-S741 PolarHBondContact O-OG 3.4Å; D738-S742 PolarHBondContact O-N 3.42Å; D738-Y806 HydrophobicContact CB-CE2 4.31Å; D738-Y806 WeakPolarHBondContact OD2-CE2 3.48Å; D738-Y806 PolarHBondContact OD2-OH 2.94Å
739	M	91.1	Very high	86.6	Confident	11 Å²	11	67 Å²	67	5%	0.054	40%	0.397	C	S	.	.	H	α-helix	trans	-66.9	-33.8	-179.9	-64.7	-63	-82.1	0	0	112.4	L735 R736 A737 S742 P745 A758 W767 A800 P803	L735-M739 HydrophobicContact CD1-CG 3.81Å; L735-M739 HydrophobicContact CD1-SD 4.39Å; L735-M739 HydrophobicContact CG-CG 4.29Å; L735-M739 WeakPolarHBondContact O-CB 3.48Å; L735-M739 WeakPolarHBondContact O-CG 3.29Å; L735-M739 PolarHBondContact O-N 2.8Å; R736-M739 PolarHBondContact O-N 2.9Å; A737-M739 PolarHBondContact O-N 2.97Å; M739-S742 PolarHBondContact O-N 2.99Å; M739-P745 HydrophobicContact CE-CB 4.02Å; M739-A758 HydrophobicContact CE-CB 3.32Å; M739-A758 HydrophobicContact SD-CB 4.26Å; M739-W767 HydrophobicContact CB-CB 4.13Å; M739-W767 HydrophobicContact CB-CD2 4.5Å; M739-W767 HydrophobicContact CB-CG 3.81Å; M739-W767 HydrophobicContact CE-CD2 3.86Å; M739-W767 HydrophobicContact CE-CE3 3.86Å; M739-W767 HydrophobicContact CE-CG 4.24Å; M739-W767 HydrophobicContact CE-CZ3 4.32Å; M739-W767 HydrophobicContact CG-CB 4.07Å; M739-W767 HydrophobicContact CG-CG 4.1Å; M739-A800 HydrophobicContact CE-CB 3.41Å; M739-A800 VanDerWaalsContact CE-CB 3.41Å; M739-P803 HydrophobicContact SD-CG 3.98Å
740	A	87	Confident	86.4	Confident	85 Å²	85	68.6 Å²	68.6	70%	0.702	41%	0.405	S	S	*	.	H	α-helix	trans	-71.4	-30	175.2	0	0	0	0	0	113	R736 A737 D738 S742	R736-A740 VanDerWaalsContact O-CB 3.28Å; R736-A740 WeakPolarHBondContact O-CB 3.29Å; R736-A740 PolarHBondContact O-N 2.88Å; A737-A740 PolarHBondContact O-N 3.05Å; D738-A740 VanDerWaalsContact C-N 3.33Å; D738-A740 PolarHBondContact O-N 2.94Å; A740-S742 VanDerWaalsContact C-N 3.31Å
741	S	86.2	Confident	86.3	Confident	93 Å²	93	62.5 Å²	62.5	65%	0.65	38%	0.379	S	S	*	.	H	α-helix	trans	-78.6	-14.3	176.7	76.8	0	0	0	0	113.7	A737 D738	A737-S741 PolarHBondContact O-N 3.44Å; D738-S741 PolarHBondContact O-N 3.25Å; D738-S741 PolarHBondContact O-OG 3.4Å
742	S	82.3	Confident	86.1	Confident	55 Å²	55	68.4 Å²	68.4	39%	0.385	40%	0.404	S	S	.	.			trans	-73.8	124.4	178.6	-176.4	0	0	0	0	111.7	D738 M739 A740 S744 P745	D738-S742 PolarHBondContact O-N 3.42Å; M739-S742 PolarHBondContact O-N 2.99Å; A740-S742 VanDerWaalsContact C-N 3.31Å; S742-S744 PolarHBondContact O-N 3.48Å; S742-P745 WeakPolarHBondContact O-CD 3.3Å
743	L	75.2	Confident	86.1	Confident	177 Å²	177	74.6 Å²	74.6	93%	0.927	43%	0.431	S	S	*	.	S	Bend	trans	-62.5	-23.9	-179.5	-79.2	154.7	0	0	0	113.6
744	S	72.8	Confident	86	Confident	70 Å²	70	73.4 Å²	73.4	49%	0.49	44%	0.436	S	S	.	.			trans	-164.8	71.7	-179.1	-70.8	0	0	0	0	111.3	S742 T746 S747	S742-S744 PolarHBondContact O-N 3.48Å; S744-T746 PolarHBondContact O-N 3.31Å; S744-T746 VanDerWaalsContact O-N 3.12Å; S744-S747 WeakPolarHBondContact CB-OG 3.44Å; S744-S747 PolarHBondContact O-N 3.46Å; S744-S747 PolarHBondContact O-OG 2.91Å
745	P	69.6	Low	85.9	Confident	28 Å²	28	73.2 Å²	73.2	18%	0.182	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.2	-171.7	22.7	-31.8	0	0	0	113.7	M739 S742 W767 A800 P801	M739-P745 HydrophobicContact CE-CB 4.02Å; S742-P745 WeakPolarHBondContact O-CD 3.3Å; P745-W767 HydrophobicContact CG-CZ2 4.34Å; P745-A800 HydrophobicContact CB-CB 4.09Å; P745-A800 WeakPolarHBondContact O-CB 3.48Å; P745-P801 VanDerWaalsContact O-CD 3.26Å; P745-P801 WeakPolarHBondContact O-CD 3.48Å
746	T	78.8	Confident	85.9	Confident	44 Å²	44	75.5 Å²	75.5	27%	0.27	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-11	-173.1	59.7	0	0	0	0	113.1	S744 S748 Y749 W767 T797 L799 A800	S744-T746 PolarHBondContact O-N 3.31Å; S744-T746 VanDerWaalsContact O-N 3.12Å; T746-S748 PolarHBondContact O-N 2.99Å; T746-Y749 PolarHBondContact O-N 3.09Å; T746-W767 HydrophobicContact CG2-CH2 3.57Å; T746-W767 HydrophobicContact CG2-CZ2 4.06Å; T746-T797 WeakPolarHBondContact CG2-O 3.23Å; T746-L799 WeakPolarHBondContact CG2-O 3.29Å; T746-A800 HydrophobicContact CG2-CB 4.22Å
747	S	71	Confident	86	Confident	73 Å²	73	73.1 Å²	73.1	51%	0.51	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	130.2	-176.8	79.3	0	0	0	0	109.2	S744 Y749	S744-S747 WeakPolarHBondContact CB-OG 3.44Å; S744-S747 PolarHBondContact O-N 3.46Å; S744-S747 PolarHBondContact O-OG 2.91Å; S747-Y749 VanDerWaalsContact C-N 3.28Å; S747-Y749 PolarHBondContact O-N 3.08Å
748	S	72.5	Confident	86.2	Confident	129 Å²	129	70.2 Å²	70.2	90%	0.902	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	7	-176.9	75	0	0	0	0	117.7	T746 E750	T746-S748 PolarHBondContact O-N 2.99Å; S748-E750 PolarHBondContact O-N 3.25Å
749	Y	86.7	Confident	86.4	Confident	29 Å²	29	66.7 Å²	66.7	11%	0.114	39%	0.393	C	S	.	.			trans	-73.7	124.4	174	-170.1	-126	0	0	0	111.4	T746 S747 P751 Q755 C757 L799 P801	T746-Y749 PolarHBondContact O-N 3.09Å; S747-Y749 VanDerWaalsContact C-N 3.28Å; S747-Y749 PolarHBondContact O-N 3.08Å; Y749-P751 HydrophobicContact CD1-CB 4.44Å; Y749-P751 HydrophobicContact CD1-CG 3.78Å; Y749-P751 HydrophobicContact CE1-CB 3.82Å; Y749-P751 HydrophobicContact CE1-CG 3.64Å; Y749-P751 WeakPolarHBondContact O-CD 3.17Å; Y749-Q755 PolarHBondContact OH-NE2 3.5Å; Y749-C757 HydrophobicContact CE1-CB 3.87Å; Y749-C757 WeakPolarHBondContact OH-CB 3.4Å; Y749-L799 HydrophobicContact CD1-CB 3.9Å; Y749-L799 HydrophobicContact CE1-CB 3.95Å; Y749-P801 HydrophobicContact CD2-CB 3.76Å; Y749-P801 HydrophobicContact CD2-CG 4.11Å; Y749-P801 HydrophobicContact CE2-CB 3.88Å
750	E	90.2	Very high	86.6	Confident	151 Å²	151	67.8 Å²	67.8	71%	0.706	40%	0.398	S	S	*	.			trans	-114.3	94.8	175.8	-168.5	179.7	-171.9	0	0	109.1	S748	S748-E750 PolarHBondContact O-N 3.25Å
751	P	90.8	Very high	87.1	Confident	10 Å²	10	65.9 Å²	65.9	7%	0.065	37%	0.374	C	S	.	.			trans	-66.6	135.5	-174.5	-13.6	24.9	0	0	0	112.3	Y749 V772 F781 L799	Y749-P751 HydrophobicContact CD1-CB 4.44Å; Y749-P751 HydrophobicContact CD1-CG 3.78Å; Y749-P751 HydrophobicContact CE1-CB 3.82Å; Y749-P751 HydrophobicContact CE1-CG 3.64Å; Y749-P751 WeakPolarHBondContact O-CD 3.17Å; P751-V772 HydrophobicContact CB-CG2 3.95Å; P751-F781 HydrophobicContact CB-CD1 3.86Å; P751-F781 HydrophobicContact CB-CE1 3.79Å; P751-F781 HydrophobicContact CB-CG 4.49Å; P751-F781 HydrophobicContact CB-CZ 4.38Å; P751-F781 HydrophobicContact CG-CD1 4.09Å; P751-F781 HydrophobicContact CG-CD2 4.45Å; P751-F781 HydrophobicContact CG-CE1 3.77Å; P751-F781 HydrophobicContact CG-CE2 4.18Å; P751-F781 HydrophobicContact CG-CG 4.43Å; P751-F781 HydrophobicContact CG-CZ 3.84Å; P751-L799 HydrophobicContact CB-CD1 4.07Å; P751-L799 HydrophobicContact CG-CB 4.29Å; P751-L799 HydrophobicContact CG-CD1 3.73Å
752	K	93.5	Very high	87.5	Confident	130 Å²	130	63.5 Å²	63.5	57%	0.565	36%	0.358	S	S	*	.			trans	-116	142	176.1	-62.3	179.1	-177.1	176.8	0	111.4	G754 Q755 V772	K752-G754 PolarHBondContact O-N 3.48Å; K752-Q755 HydrophobicContact CB-CB 4.24Å; K752-Q755 WeakPolarHBondContact O-CB 3.38Å; K752-Q755 PolarHBondContact O-N 2.91Å; K752-V772 WeakPolarHBondContact O-CB 3.44Å
753	K	95.1	Very high	88	Confident	149 Å²	149	65.8 Å²	65.8	65%	0.648	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	132	173.9	-179.5	172.3	176.9	173.2	0	110.8	Q755 E773	K753-Q755 VanDerWaalsContact C-N 3.29Å; K753-Q755 PolarHBondContact O-N 3.29Å; K753-E773 WeakPolarHBondContact CD-O 3.4Å; K753-E773 WeakPolarHBondContact CE-O 3.38Å; K753-E773 WeakPolarHBondContact CG-O 3.38Å
754	G	92.2	Very high	88.9	Confident	48 Å²	48	60.4 Å²	60.4	50%	0.495	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	-12.2	-176.3	0	0	0	0	0	114.9	K752 V772	K752-G754 PolarHBondContact O-N 3.48Å; G754-V772 PolarHBondContact N-O 2.85Å
755	Q	94	Very high	89.8	Confident	71 Å²	71	63 Å²	63	33%	0.332	35%	0.347	S	S	.	.			trans	-76.3	141.5	-177	-169.3	-176.9	-6.7	0	0	111.8	Y749 K752 K753 R771 V772	Y749-Q755 PolarHBondContact OH-NE2 3.5Å; K752-Q755 HydrophobicContact CB-CB 4.24Å; K752-Q755 WeakPolarHBondContact O-CB 3.38Å; K752-Q755 PolarHBondContact O-N 2.91Å; K753-Q755 VanDerWaalsContact C-N 3.29Å; K753-Q755 PolarHBondContact O-N 3.29Å; Q755-R771 WeakPolarHBondContact O-CA 3.15Å; Q755-V772 PolarHBondContact O-N 2.89Å
756	L	96.4	Very high	91.1	Very high	48 Å²	48	65.5 Å²	65.5	25%	0.251	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	134.5	166.4	-70.8	177.8	0	0	0	111.1	A770 R771 I786 L802	L756-A770 CarbonylContact C-O 3.47Å; L756-A770 WeakPolarHBondContact CA-O 3.4Å; L756-R771 HydrophobicContact CD2-CB 4.07Å; L756-R771 HydrophobicContact CD2-CG 4.49Å; L756-I786 HydrophobicContact CD2-CD1 3.8Å; L756-I786 HydrophobicContact CD2-CG2 4.23Å; L756-L802 HydrophobicContact CB-CD2 4.15Å
757	C	96.4	Very high	91.9	Very high	0 Å²	0	65 Å²	65	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	167	-179.2	65.9	0	0	0	0	110.5	Y749 A770 A800	Y749-C757 HydrophobicContact CE1-CB 3.87Å; Y749-C757 WeakPolarHBondContact OH-CB 3.4Å; C757-A770 PolarHBondContact N-O 3.02Å; C757-A770 PolarHBondContact O-N 2.75Å; C757-A770 VanDerWaalsContact O-O 3.14Å; C757-A800 WeakPolarHBondContact CB-O 3.22Å
758	A	96.1	Very high	93.1	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	132	159.7	0	0	0	0	0	108.3	M739 W767 Y768 L799 A800 L802	M739-A758 HydrophobicContact CE-CB 3.32Å; M739-A758 HydrophobicContact SD-CB 4.26Å; A758-W767 HydrophobicContact CB-CE3 3.97Å; A758-W767 WeakPolarHBondContact O-CZ3 3.5Å; A758-Y768 CarbonylContact C-O 3.57Å; A758-Y768 VanDerWaalsContact CA-O 3.3Å; A758-Y768 WeakPolarHBondContact CA-O 3.2Å; A758-L799 WeakPolarHBondContact O-CA 3.15Å; A758-A800 HydrophobicContact CB-CB 4.39Å; A758-A800 PolarHBondContact N-O 2.93Å; A758-A800 PolarHBondContact O-N 3.27Å; A758-L802 HydrophobicContact CB-CD1 4.19Å
759	A	96.8	Very high	94.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.1	178	0	0	0	0	0	110.4	F761 W767 Y768 A770 V783 Y785 Q798 L799	A759-F761 PolarHBondContact O-N 2.93Å; A759-W767 VanDerWaalsContact C-CE3 3.46Å; A759-Y768 PolarHBondContact N-O 3.48Å; A759-Y768 PolarHBondContact O-N 2.95Å; A759-A770 HydrophobicContact CB-CB 3.59Å; A759-V783 HydrophobicContact CB-CG2 4.32Å; A759-Y785 HydrophobicContact CB-CE1 3.75Å; A759-Q798 WeakPolarHBondContact CA-O 3.41Å; A759-L799 HydrophobicContact CB-CD2 3.46Å; A759-L799 VanDerWaalsContact CB-CD2 3.46Å
760	L	95.6	Very high	94.9	Very high	33 Å²	33	54.9 Å²	54.9	17%	0.173	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	113	176.7	-168	79.4	0	0	0	109.1	K765 Q766 W767 Y785 R794 Q798	L760-K765 WeakPolarHBondContact CD1-O 3.47Å; L760-Q766 CarbonylContact C-O 3.53Å; L760-Q766 WeakPolarHBondContact CA-O 3.41Å; L760-W767 HydrophobicContact CB-CD2 4.37Å; L760-W767 HydrophobicContact CB-CE3 4.16Å; L760-W767 HydrophobicContact CB-CH2 4.08Å; L760-W767 HydrophobicContact CB-CZ2 4.31Å; L760-W767 HydrophobicContact CB-CZ3 4.02Å; L760-W767 HydrophobicContact CD1-CD2 3.95Å; L760-W767 HydrophobicContact CD1-CG 4.19Å; L760-W767 HydrophobicContact CD1-CZ2 4.07Å; L760-Y785 PolarHBondContact O-OH 2.99Å; L760-R794 PolarHBondContact O-NE 3.35Å; L760-R794 PolarHBondContact O-NH2 3.46Å; L760-Q798 HydrophobicContact CB-CB 4.19Å; L760-Q798 HydrophobicContact CD2-CG 4.48Å; L760-Q798 PolarHBondContact N-O 3.47Å
761	F	96.4	Very high	95.2	Very high	45 Å²	45	52.7 Å²	52.7	20%	0.197	27%	0.266	C	S	.	.			trans	-68.3	136.9	-179.8	-178.4	-138.6	0	0	0	111.9	A759 C763 D764 K765 Q766 Y768 Y785 N790 E792	A759-F761 PolarHBondContact O-N 2.93Å; F761-C763 VanDerWaalsContact C-N 3.31Å; F761-C763 HydrophobicContact CD1-CB 3.93Å; F761-C763 HydrophobicContact CE1-CB 3.41Å; F761-C763 VanDerWaalsContact CE1-CB 3.41Å; F761-C763 HydrophobicContact CE2-CB 4.34Å; F761-C763 HydrophobicContact CZ-CB 3.63Å; F761-C763 PolarHBondContact O-N 2.87Å; F761-D764 WeakPolarHBondContact CD1-OD1 3.45Å; F761-K765 VanDerWaalsContact O-CA 3.29Å; F761-K765 WeakPolarHBondContact O-CA 3.38Å; F761-K765 PolarHBondContact O-N 3.48Å; F761-K765 VanDerWaalsContact O-N 3.08Å; F761-Q766 PolarHBondContact N-O 3.37Å; F761-Y768 HydrophobicContact CB-CD2 3.46Å; F761-Y768 VanDerWaalsContact CB-CD2 3.46Å; F761-Y768 HydrophobicContact CB-CE2 3.55Å; F761-Y768 HydrophobicContact CD1-CE2 4.01Å; F761-Y768 HydrophobicContact CG-CD2 4.37Å; F761-Y768 HydrophobicContact CG-CE2 4.19Å; F761-Y785 WeakPolarHBondContact CA-OH 3.43Å; F761-Y785 HydrophobicContact CB-CE1 4.11Å; F761-Y785 HydrophobicContact CD2-CD2 4.4Å; F761-Y785 HydrophobicContact CD2-CE1 4.44Å; F761-Y785 AromaticContact CD2-CE2 3.72Å; F761-Y785 HydrophobicContact CD2-CE2 3.72Å; F761-Y785 AromaticContact CD2-CZ 3.75Å; F761-Y785 HydrophobicContact CE2-CE2 4.27Å; F761-N790 VanDerWaalsContact CE2-ND2 3.31Å; F761-N790 WeakPolarHBondContact CE2-ND2 3.48Å; F761-E792 WeakPolarHBondContact CE2-OE1 3.2Å
762	S	94.9	Very high	95.6	Very high	43 Å²	43	52.2 Å²	52.2	30%	0.301	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-30.5	-171.2	82.8	0	0	0	0	113.1	K765 E792	S762-K765 WeakPolarHBondContact O-CE 3.37Å; S762-K765 PolarHBondContact O-NZ 3.44Å; S762-E792 VanDerWaalsContact CB-OE1 3.28Å; S762-E792 WeakPolarHBondContact CB-OE1 3.39Å; S762-E792 WeakPolarHBondContact CB-OE2 3.11Å; S762-E792 PolarHBondContact N-OE2 3.38Å; S762-E792 PolarHBondContact OG-OE1 3.38Å
763	C	92.7	Very high	95.6	Very high	104 Å²	104	49.4 Å²	49.4	70%	0.703	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-48.3	-172.9	-168.5	0	0	0	0	113.2	F761	F761-C763 VanDerWaalsContact C-N 3.31Å; F761-C763 HydrophobicContact CD1-CB 3.93Å; F761-C763 HydrophobicContact CE1-CB 3.41Å; F761-C763 VanDerWaalsContact CE1-CB 3.41Å; F761-C763 HydrophobicContact CE2-CB 4.34Å; F761-C763 HydrophobicContact CZ-CB 3.63Å; F761-C763 PolarHBondContact O-N 2.87Å
764	D	94.3	Very high	95.6	Very high	63 Å²	63	45.6 Å²	45.6	34%	0.337	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-6.2	-173.1	66.2	1.5	0	0	0	114	F761 Q766 Y768	F761-D764 WeakPolarHBondContact CD1-OD1 3.45Å; D764-Q766 HydrophobicContact CB-CG 4.34Å; D764-Q766 PolarHBondContact O-N 3.28Å; D764-Q766 PolarHBondContact OD1-N 2.92Å; D764-Y768 WeakPolarHBondContact OD2-CE2 3.39Å; D764-Y768 PolarHBondContact OD2-OH 3.37Å
765	K	92.7	Very high	95.7	Very high	124 Å²	124	46.8 Å²	46.8	54%	0.539	23%	0.233	S	C	.	.			trans	57.7	30.9	-176	-46.9	-54.7	-174.1	-164.1	0	113.3	L760 F761 S762	L760-K765 WeakPolarHBondContact CD1-O 3.47Å; F761-K765 VanDerWaalsContact O-CA 3.29Å; F761-K765 WeakPolarHBondContact O-CA 3.38Å; F761-K765 PolarHBondContact O-N 3.48Å; F761-K765 VanDerWaalsContact O-N 3.08Å; S762-K765 WeakPolarHBondContact O-CE 3.37Å; S762-K765 PolarHBondContact O-NZ 3.44Å
766	Q	95.3	Very high	95.5	Very high	82 Å²	82	49 Å²	49	38%	0.383	24%	0.241	S	C	.	.			trans	-98.5	158.1	172.4	-62.9	-62.9	-47.8	0	0	111.2	R736 L760 F761 D764 Y768	R736-Q766 HydrophobicContact CG-CB 4.48Å; L760-Q766 CarbonylContact C-O 3.53Å; L760-Q766 WeakPolarHBondContact CA-O 3.41Å; F761-Q766 PolarHBondContact N-O 3.37Å; D764-Q766 HydrophobicContact CB-CG 4.34Å; D764-Q766 PolarHBondContact O-N 3.28Å; D764-Q766 PolarHBondContact OD1-N 2.92Å; Q766-Y768 HydrophobicContact CB-CD2 4.43Å; Q766-Y768 HydrophobicContact CB-CE2 3.71Å; Q766-Y768 WeakPolarHBondContact O-CD2 3.41Å
767	W	95.4	Very high	95.2	Very high	33 Å²	33	48.8 Å²	48.8	13%	0.125	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	133.1	176.8	-68.9	99.8	0	0	0	111.1	M739 P745 T746 A758 A759 L760 Q798 A800	M739-W767 HydrophobicContact CB-CB 4.13Å; M739-W767 HydrophobicContact CB-CD2 4.5Å; M739-W767 HydrophobicContact CB-CG 3.81Å; M739-W767 HydrophobicContact CE-CD2 3.86Å; M739-W767 HydrophobicContact CE-CE3 3.86Å; M739-W767 HydrophobicContact CE-CG 4.24Å; M739-W767 HydrophobicContact CE-CZ3 4.32Å; M739-W767 HydrophobicContact CG-CB 4.07Å; M739-W767 HydrophobicContact CG-CG 4.1Å; P745-W767 HydrophobicContact CG-CZ2 4.34Å; T746-W767 HydrophobicContact CG2-CH2 3.57Å; T746-W767 HydrophobicContact CG2-CZ2 4.06Å; A758-W767 HydrophobicContact CB-CE3 3.97Å; A758-W767 WeakPolarHBondContact O-CZ3 3.5Å; A759-W767 VanDerWaalsContact C-CE3 3.46Å; L760-W767 HydrophobicContact CB-CD2 4.37Å; L760-W767 HydrophobicContact CB-CE3 4.16Å; L760-W767 HydrophobicContact CB-CH2 4.08Å; L760-W767 HydrophobicContact CB-CZ2 4.31Å; L760-W767 HydrophobicContact CB-CZ3 4.02Å; L760-W767 HydrophobicContact CD1-CD2 3.95Å; L760-W767 HydrophobicContact CD1-CG 4.19Å; L760-W767 HydrophobicContact CD1-CZ2 4.07Å; W767-Q798 VanDerWaalsContact CZ3-O 3.24Å; W767-Q798 WeakPolarHBondContact CZ3-O 3.18Å; W767-A800 HydrophobicContact CH2-CB 4.12Å; W767-A800 HydrophobicContact CZ3-CB 3.92Å
768	Y	97.3	Very high	94.7	Very high	17 Å²	17	58.8 Å²	58.8	7%	0.067	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	159.1	179.2	-68.9	-86.8	0	0	0	111	M732 R736 A758 A759 F761 D764 Q766 Y785 F788	M732-Y768 HydrophobicContact SD-CD1 4.14Å; M732-Y768 HydrophobicContact SD-CE1 3.94Å; R736-Y768 VanDerWaalsContact NH2-CZ 3.26Å; R736-Y768 PolarHBondContact NH2-OH 2.87Å; A758-Y768 CarbonylContact C-O 3.57Å; A758-Y768 VanDerWaalsContact CA-O 3.3Å; A758-Y768 WeakPolarHBondContact CA-O 3.2Å; A759-Y768 PolarHBondContact N-O 3.48Å; A759-Y768 PolarHBondContact O-N 2.95Å; F761-Y768 HydrophobicContact CB-CD2 3.46Å; F761-Y768 VanDerWaalsContact CB-CD2 3.46Å; F761-Y768 HydrophobicContact CB-CE2 3.55Å; F761-Y768 HydrophobicContact CD1-CE2 4.01Å; F761-Y768 HydrophobicContact CG-CD2 4.37Å; F761-Y768 HydrophobicContact CG-CE2 4.19Å; D764-Y768 WeakPolarHBondContact OD2-CE2 3.39Å; D764-Y768 PolarHBondContact OD2-OH 3.37Å; Q766-Y768 HydrophobicContact CB-CD2 4.43Å; Q766-Y768 HydrophobicContact CB-CE2 3.71Å; Q766-Y768 WeakPolarHBondContact O-CD2 3.41Å; Y768-Y785 HydrophobicContact CG-CD1 4.46Å; Y768-F788 HydrophobicContact CD1-CD2 4.25Å; Y768-F788 AromaticContact CD1-CE2 3.59Å; Y768-F788 HydrophobicContact CD1-CE2 3.59Å; Y768-F788 HydrophobicContact CD1-CZ 4.48Å; Y768-F788 HydrophobicContact CE1-CD2 4.44Å; Y768-F788 AromaticContact CE1-CE2 3.52Å; Y768-F788 HydrophobicContact CE1-CE2 3.52Å; Y768-F788 AromaticContact CE1-CZ 3.98Å; Y768-F788 HydrophobicContact CE1-CZ 3.98Å
769	R	97.8	Very high	94.4	Very high	1 Å²	1	60.7 Å²	60.7	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	132.1	171.5	-51.7	-167.3	-60.4	161.3	-3.8	109.8	M731 L735 Y785 I786 D787 L802 Y806 H809 P810	M731-R769 VanDerWaalsContact CE-NE 3.34Å; M731-R769 HydrophobicContact SD-CG 4.42Å; L735-R769 HydrophobicContact CD2-CG 3.77Å; R769-Y785 WeakPolarHBondContact O-CA 3.25Å; R769-I786 HydrophobicContact CB-CD1 3.94Å; R769-I786 HydrophobicContact CB-CG1 3.76Å; R769-I786 PolarHBondContact O-N 2.85Å; R769-I786 VanDerWaalsContact O-N 3.12Å; R769-D787 WeakPolarHBondContact CB-OD2 3.48Å; R769-D787 IonicContact CZ-OD1 4Å; R769-D787 IonicContact CZ-OD2 3.47Å; R769-D787 IonicContact NE-OD1 3.45Å; R769-D787 PolarHBondContact NE-OD1 3.44Å; R769-D787 IonicContact NE-OD2 3.39Å; R769-D787 PolarHBondContact NE-OD2 3.09Å; R769-D787 IonicContact NH2-OD1 3.98Å; R769-D787 PolarHBondContact NH2-OD1 3.23Å; R769-D787 IonicContact NH2-OD2 2.88Å; R769-L802 HydrophobicContact CB-CD1 4.46Å; R769-L802 HydrophobicContact CG-CD1 3.85Å; R769-L802 HydrophobicContact CG-CD2 4.34Å; R769-Y806 WeakPolarHBondContact CD-O 3.34Å; R769-Y806 PolarHBondContact NH1-O 3.46Å; R769-H809 PolarHBondContact NH1-O 2.97Å; R769-P810 PolarHBondContact NH2-O 3.21Å
770	A	98.1	Very high	94.3	Very high	0 Å²	0	65 Å²	65	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	163.5	179.8	0	0	0	0	0	111	L756 C757 A759 V783 I784 Y785	L756-A770 CarbonylContact C-O 3.47Å; L756-A770 WeakPolarHBondContact CA-O 3.4Å; C757-A770 PolarHBondContact N-O 3.02Å; C757-A770 PolarHBondContact O-N 2.75Å; C757-A770 VanDerWaalsContact O-O 3.14Å; A759-A770 HydrophobicContact CB-CB 3.59Å; A770-V783 HydrophobicContact CB-CB 4.15Å; A770-V783 HydrophobicContact CB-CG2 4.41Å; A770-I784 CarbonylContact C-O 3.56Å; A770-I784 WeakPolarHBondContact CA-O 3.46Å; A770-I784 WeakPolarHBondContact CB-O 3.39Å; A770-Y785 HydrophobicContact CB-CD1 4.19Å
771	R	98.1	Very high	94.4	Very high	106 Å²	106	63.9 Å²	63.9	40%	0.4	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.6	169.2	-173.1	-179	-65.5	153.1	0.7	109.1	Q755 L756 E773 V783 I784 I786	Q755-R771 WeakPolarHBondContact O-CA 3.15Å; L756-R771 HydrophobicContact CD2-CB 4.07Å; L756-R771 HydrophobicContact CD2-CG 4.49Å; R771-E773 PolarHBondContact O-N 2.83Å; R771-V783 VanDerWaalsContact O-CA 3.28Å; R771-V783 WeakPolarHBondContact O-CA 3.25Å; R771-I784 HydrophobicContact CB-CG2 3.9Å; R771-I784 PolarHBondContact N-O 3.5Å; R771-I784 PolarHBondContact O-N 2.85Å; R771-I786 HydrophobicContact CB-CG2 3.84Å
772	V	97.5	Very high	94.5	Very high	0 Å²	0	63 Å²	63	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	112.1	174	-177	0	0	0	0	108.9	P751 K752 G754 Q755 I775 F781 V783	P751-V772 HydrophobicContact CB-CG2 3.95Å; K752-V772 WeakPolarHBondContact O-CB 3.44Å; G754-V772 PolarHBondContact N-O 2.85Å; Q755-V772 PolarHBondContact O-N 2.89Å; V772-I775 HydrophobicContact CG1-CG1 4.23Å; V772-F781 HydrophobicContact CG1-CD1 4.35Å; V772-V783 HydrophobicContact CG2-CG1 4.31Å
773	E	95.3	Very high	94.6	Very high	70 Å²	70	61 Å²	61	33%	0.327	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-36.7	177.2	-71.1	-167.4	146.5	0	0	111.7	K753 R771 D782 I784 R791	K753-E773 WeakPolarHBondContact CD-O 3.4Å; K753-E773 WeakPolarHBondContact CE-O 3.38Å; K753-E773 WeakPolarHBondContact CG-O 3.38Å; R771-E773 PolarHBondContact O-N 2.83Å; E773-D782 PolarHBondContact N-O 3.49Å; E773-I784 HydrophobicContact CG-CB 4.31Å; E773-I784 HydrophobicContact CG-CG2 3.81Å; E773-R791 IonicContact OE1-CZ 3.32Å; E773-R791 IonicContact OE1-NE 3.17Å; E773-R791 PolarHBondContact OE1-NE 2.8Å; E773-R791 IonicContact OE1-NH2 3.1Å; E773-R791 PolarHBondContact OE1-NH2 3.19Å; E773-R791 WeakPolarHBondContact OE2-CD 3.41Å; E773-R791 IonicContact OE2-CZ 2.99Å; E773-R791 IonicContact OE2-NE 2.7Å; E773-R791 PolarHBondContact OE2-NE 3.02Å; E773-R791 IonicContact OE2-NH2 3.91Å
774	N	94.4	Very high	94.9	Very high	69 Å²	69	56.6 Å²	56.6	37%	0.369	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	152	-177.6	-164.2	26.5	0	0	0	112.8	F781 D782	N774-F781 CarbonylContact O-C 3.56Å; N774-F781 WeakPolarHBondContact O-CA 3.49Å; N774-D782 HydrophobicContact CB-CB 4.02Å; N774-D782 PolarHBondContact N-O 2.9Å; N774-D782 PolarHBondContact O-N 3.13Å
775	I	94.3	Very high	95	Very high	74 Å²	74	53.7 Å²	53.7	38%	0.379	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	104.6	175.6	-53	-179.3	0	0	0	106.9	V772 S777 F781	V772-I775 HydrophobicContact CG1-CG1 4.23Å; I775-S777 WeakPolarHBondContact CG2-O 3.47Å; I775-F781 HydrophobicContact CB-CD1 4.36Å; I775-F781 HydrophobicContact CB-CE1 4.48Å; I775-F781 HydrophobicContact CD1-CE1 4.34Å; I775-F781 HydrophobicContact CG1-CD1 3.95Å; I775-F781 HydrophobicContact CG1-CE1 4.15Å; I775-F781 HydrophobicContact CG2-CD1 4.03Å; I775-F781 HydrophobicContact CG2-CE1 3.77Å
776	K	89.3	Confident	95.3	Very high	116 Å²	116	48.4 Å²	48.4	50%	0.504	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-38.9	-178.1	-79.7	177.8	167.1	145.8	0	112.1	Q780 D782 T793	K776-Q780 HydrophobicContact CB-CB 4.15Å; K776-Q780 PolarHBondContact N-O 3.37Å; K776-D782 WeakPolarHBondContact CE-OD1 3.22Å; K776-D782 WeakPolarHBondContact CE-OD2 3.27Å; K776-D782 VanDerWaalsContact NZ-CG 3.3Å; K776-D782 IonicContact NZ-OD1 3.87Å; K776-D782 PolarHBondContact NZ-OD1 3.29Å; K776-D782 IonicContact NZ-OD2 2.88Å; K776-D782 PolarHBondContact NZ-OD2 2.99Å; K776-D782 VanDerWaalsContact NZ-OD2 3.09Å; K776-T793 HydrophobicContact CD-CG2 4.45Å; K776-T793 PolarHBondContact NZ-OG1 3.27Å
777	S	90.3	Very high	95.4	Very high	44 Å²	44	44.5 Å²	44.5	31%	0.308	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	-177.6	176.4	74.7	0	0	0	0	110.1	I775 D779 Q780	I775-S777 WeakPolarHBondContact CG2-O 3.47Å; S777-D779 PolarHBondContact O-N 3.42Å; S777-D779 VanDerWaalsContact O-N 3.11Å; S777-Q780 PolarHBondContact N-O 2.86Å; S777-Q780 PolarHBondContact O-N 2.97Å; S777-Q780 WeakPolarHBondContact OG-CB 3.43Å; S777-Q780 PolarHBondContact OG-N 3Å
778	Y	85.6	Confident	95.4	Very high	210 Å²	210	45.4 Å²	45.4	82%	0.824	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.1	-180	75.2	-88.9	0	0	0	113.9
779	D	90.6	Very high	95.3	Very high	40 Å²	40	44.6 Å²	44.6	21%	0.214	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.8	21.1	-178	-169.7	42	0	0	0	112.5	S777 N795 A796	S777-D779 PolarHBondContact O-N 3.42Å; S777-D779 VanDerWaalsContact O-N 3.11Å; D779-N795 VanDerWaalsContact O-CA 3.23Å; D779-N795 WeakPolarHBondContact O-CA 3.49Å; D779-N795 WeakPolarHBondContact O-CB 3.26Å; D779-N795 PolarHBondContact O-OD1 3.42Å; D779-N795 WeakPolarHBondContact OD1-CB 3.42Å; D779-N795 PolarHBondContact OD2-ND2 2.99Å; D779-A796 VanDerWaalsContact OD1-CB 3.26Å; D779-A796 WeakPolarHBondContact OD1-CB 3.45Å; D779-A796 PolarHBondContact OD1-N 2.96Å
780	Q	95.5	Very high	95.2	Very high	90 Å²	90	45.9 Å²	45.9	42%	0.421	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	120	176.5	-70.3	-171.6	-24.7	0	0	111.3	K776 S777 T793	K776-Q780 HydrophobicContact CB-CB 4.15Å; K776-Q780 PolarHBondContact N-O 3.37Å; S777-Q780 PolarHBondContact N-O 2.86Å; S777-Q780 PolarHBondContact O-N 2.97Å; S777-Q780 WeakPolarHBondContact OG-CB 3.43Å; S777-Q780 PolarHBondContact OG-N 3Å; Q780-T793 HydrophobicContact CB-CG2 3.89Å; Q780-T793 HydrophobicContact CG-CG2 4.33Å
781	F	96.8	Very high	95.1	Very high	10 Å²	10	50.7 Å²	50.7	4%	0.044	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.3	-172.7	-56.6	-92.1	0	0	0	109.1	P751 V772 N774 I775 V783 T793 R794 A796 L799	P751-F781 HydrophobicContact CB-CD1 3.86Å; P751-F781 HydrophobicContact CB-CE1 3.79Å; P751-F781 HydrophobicContact CB-CG 4.49Å; P751-F781 HydrophobicContact CB-CZ 4.38Å; P751-F781 HydrophobicContact CG-CD1 4.09Å; P751-F781 HydrophobicContact CG-CD2 4.45Å; P751-F781 HydrophobicContact CG-CE1 3.77Å; P751-F781 HydrophobicContact CG-CE2 4.18Å; P751-F781 HydrophobicContact CG-CG 4.43Å; P751-F781 HydrophobicContact CG-CZ 3.84Å; V772-F781 HydrophobicContact CG1-CD1 4.35Å; N774-F781 CarbonylContact O-C 3.56Å; N774-F781 WeakPolarHBondContact O-CA 3.49Å; I775-F781 HydrophobicContact CB-CD1 4.36Å; I775-F781 HydrophobicContact CB-CE1 4.48Å; I775-F781 HydrophobicContact CD1-CE1 4.34Å; I775-F781 HydrophobicContact CG1-CD1 3.95Å; I775-F781 HydrophobicContact CG1-CE1 4.15Å; I775-F781 HydrophobicContact CG2-CD1 4.03Å; I775-F781 HydrophobicContact CG2-CE1 3.77Å; F781-V783 HydrophobicContact CB-CG1 4.45Å; F781-T793 CarbonylContact O-C 3.52Å; F781-T793 VanDerWaalsContact O-CA 3.27Å; F781-T793 WeakPolarHBondContact O-CA 3.44Å; F781-R794 PolarHBondContact N-O 3.18Å; F781-R794 PolarHBondContact O-N 3.19Å; F781-A796 HydrophobicContact CE2-CB 3.97Å; F781-L799 HydrophobicContact CB-CD1 3.7Å; F781-L799 HydrophobicContact CD1-CD1 4.46Å; F781-L799 HydrophobicContact CD2-CD1 3.78Å; F781-L799 HydrophobicContact CG-CD1 3.72Å
782	D	97.8	Very high	95.1	Very high	27 Å²	27	47.5 Å²	47.5	14%	0.144	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	122.5	169.6	-62.7	-35.2	0	0	0	108.3	E773 N774 K776 T793	E773-D782 PolarHBondContact N-O 3.49Å; N774-D782 HydrophobicContact CB-CB 4.02Å; N774-D782 PolarHBondContact N-O 2.9Å; N774-D782 PolarHBondContact O-N 3.13Å; K776-D782 WeakPolarHBondContact CE-OD1 3.22Å; K776-D782 WeakPolarHBondContact CE-OD2 3.27Å; K776-D782 VanDerWaalsContact NZ-CG 3.3Å; K776-D782 IonicContact NZ-OD1 3.87Å; K776-D782 PolarHBondContact NZ-OD1 3.29Å; K776-D782 IonicContact NZ-OD2 2.88Å; K776-D782 PolarHBondContact NZ-OD2 2.99Å; K776-D782 VanDerWaalsContact NZ-OD2 3.09Å; D782-T793 PolarHBondContact OD1-OG1 2.7Å
783	V	97.8	Very high	95.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.9	179.8	-58.3	0	0	0	0	110.5	A759 A770 R771 V772 F781 Y785 R791 E792 R794 L799	A759-V783 HydrophobicContact CB-CG2 4.32Å; A770-V783 HydrophobicContact CB-CB 4.15Å; A770-V783 HydrophobicContact CB-CG2 4.41Å; R771-V783 VanDerWaalsContact O-CA 3.28Å; R771-V783 WeakPolarHBondContact O-CA 3.25Å; V772-V783 HydrophobicContact CG2-CG1 4.31Å; F781-V783 HydrophobicContact CB-CG1 4.45Å; V783-Y785 HydrophobicContact CG2-CE2 4.49Å; V783-R791 WeakPolarHBondContact O-CA 3.38Å; V783-E792 WeakPolarHBondContact CG2-O 3.27Å; V783-E792 PolarHBondContact N-O 3.3Å; V783-E792 PolarHBondContact O-N 3.43Å; V783-R794 HydrophobicContact CG2-CG 3.85Å; V783-L799 HydrophobicContact CG1-CD1 4.34Å; V783-L799 HydrophobicContact CG1-CD2 3.99Å
784	I	97.8	Very high	95.1	Very high	13 Å²	13	47.7 Å²	47.7	7%	0.067	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130	165.4	-176.1	173.1	0	0	0	108.9	F718 A770 R771 E773 I786 G789 N790 R791	F718-I784 HydrophobicContact CE1-CD1 4.46Å; F718-I784 HydrophobicContact CE2-CD1 4.14Å; F718-I784 HydrophobicContact CZ-CD1 3.67Å; A770-I784 CarbonylContact C-O 3.56Å; A770-I784 WeakPolarHBondContact CA-O 3.46Å; A770-I784 WeakPolarHBondContact CB-O 3.39Å; R771-I784 HydrophobicContact CB-CG2 3.9Å; R771-I784 PolarHBondContact N-O 3.5Å; R771-I784 PolarHBondContact O-N 2.85Å; E773-I784 HydrophobicContact CG-CB 4.31Å; E773-I784 HydrophobicContact CG-CG2 3.81Å; I784-I786 HydrophobicContact CG2-CG2 4.33Å; I784-I786 PolarHBondContact O-N 3.17Å; I784-G789 WeakPolarHBondContact CD1-O 3.49Å; I784-G789 WeakPolarHBondContact CG1-O 3.44Å; I784-N790 WeakPolarHBondContact CA-O 3.46Å; I784-R791 HydrophobicContact CB-CG 3.93Å; I784-R791 HydrophobicContact CG1-CG 4.07Å
785	Y	98.2	Very high	95.1	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	102.7	172	-62.1	-81.6	0	0	0	108.3	A759 L760 F761 Y768 R769 A770 V783 D787 F788 G789 N790 E792	A759-Y785 HydrophobicContact CB-CE1 3.75Å; L760-Y785 PolarHBondContact O-OH 2.99Å; F761-Y785 WeakPolarHBondContact CA-OH 3.43Å; F761-Y785 HydrophobicContact CB-CE1 4.11Å; F761-Y785 HydrophobicContact CD2-CD2 4.4Å; F761-Y785 HydrophobicContact CD2-CE1 4.44Å; F761-Y785 AromaticContact CD2-CE2 3.72Å; F761-Y785 HydrophobicContact CD2-CE2 3.72Å; F761-Y785 AromaticContact CD2-CZ 3.75Å; F761-Y785 HydrophobicContact CE2-CE2 4.27Å; Y768-Y785 HydrophobicContact CG-CD1 4.46Å; R769-Y785 WeakPolarHBondContact O-CA 3.25Å; A770-Y785 HydrophobicContact CB-CD1 4.19Å; V783-Y785 HydrophobicContact CG2-CE2 4.49Å; Y785-D787 PolarHBondContact O-N 2.83Å; Y785-F788 PolarHBondContact O-N 2.86Å; Y785-G789 PolarHBondContact O-N 2.86Å; Y785-N790 WeakPolarHBondContact CD2-ND2 3.27Å; Y785-N790 WeakPolarHBondContact CD2-O 3.44Å; Y785-N790 PolarHBondContact N-O 3.36Å; Y785-E792 HydrophobicContact CE2-CB 4.07Å; Y785-E792 HydrophobicContact CE2-CG 3.94Å; Y785-E792 PolarHBondContact OH-OE2 3.2Å
786	I	97.3	Very high	94.9	Very high	12 Å²	12	44.7 Å²	44.7	6%	0.062	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-15.1	-167.2	59.9	159.2	0	0	0	113.8	L756 R769 R771 I784 P811 A813	L756-I786 HydrophobicContact CD2-CD1 3.8Å; L756-I786 HydrophobicContact CD2-CG2 4.23Å; R769-I786 HydrophobicContact CB-CD1 3.94Å; R769-I786 HydrophobicContact CB-CG1 3.76Å; R769-I786 PolarHBondContact O-N 2.85Å; R769-I786 VanDerWaalsContact O-N 3.12Å; R771-I786 HydrophobicContact CB-CG2 3.84Å; I784-I786 HydrophobicContact CG2-CG2 4.33Å; I784-I786 PolarHBondContact O-N 3.17Å; I786-P811 HydrophobicContact CB-CB 4.26Å; I786-P811 HydrophobicContact CD1-CB 4.45Å; I786-P811 HydrophobicContact CD1-CG 4.42Å; I786-P811 WeakPolarHBondContact O-CB 3.5Å; I786-A813 PolarHBondContact O-N 3.29Å
787	D	97.3	Very high	95	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-14.4	179.6	-64.5	-36.1	0	0	0	112.8	Q720 L728 R769 Y785 G812 A813	Q720-D787 PolarHBondContact NE2-O 2.84Å; L728-D787 HydrophobicContact CD1-CB 4.13Å; R769-D787 WeakPolarHBondContact CB-OD2 3.48Å; R769-D787 IonicContact CZ-OD1 4Å; R769-D787 IonicContact CZ-OD2 3.47Å; R769-D787 IonicContact NE-OD1 3.45Å; R769-D787 PolarHBondContact NE-OD1 3.44Å; R769-D787 IonicContact NE-OD2 3.39Å; R769-D787 PolarHBondContact NE-OD2 3.09Å; R769-D787 IonicContact NH2-OD1 3.98Å; R769-D787 PolarHBondContact NH2-OD1 3.23Å; R769-D787 IonicContact NH2-OD2 2.88Å; Y785-D787 PolarHBondContact O-N 2.83Å; D787-G812 CarbonylContact O-C 3.48Å; D787-G812 PolarHBondContact OD1-N 3.1Å; D787-A813 VanDerWaalsContact O-CB 3.31Å; D787-A813 WeakPolarHBondContact O-CB 3.22Å; D787-A813 PolarHBondContact O-N 2.98Å
788	F	96.3	Very high	95.2	Very high	51 Å²	51	43.9 Å²	43.9	22%	0.224	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.8	-25.2	-176.9	-66.4	-89.6	0	0	0	113.6	T709 D710 F718 Q720 M732 Y768 Y785 N790	T709-F788 WeakPolarHBondContact CB-O 3.28Å; T709-F788 HydrophobicContact CG2-CD1 4.36Å; T709-F788 PolarHBondContact OG1-O 2.84Å; D710-F788 WeakPolarHBondContact CB-O 3.48Å; F718-F788 WeakPolarHBondContact CB-O 3.21Å; Q720-F788 VanDerWaalsContact NE2-CD1 3.35Å; Q720-F788 VanDerWaalsContact NE2-CE1 3.31Å; M732-F788 HydrophobicContact CE-CZ 4.26Å; M732-F788 HydrophobicContact SD-CE2 3.68Å; M732-F788 HydrophobicContact SD-CZ 3.71Å; Y768-F788 HydrophobicContact CD1-CD2 4.25Å; Y768-F788 AromaticContact CD1-CE2 3.59Å; Y768-F788 HydrophobicContact CD1-CE2 3.59Å; Y768-F788 HydrophobicContact CD1-CZ 4.48Å; Y768-F788 HydrophobicContact CE1-CD2 4.44Å; Y768-F788 AromaticContact CE1-CE2 3.52Å; Y768-F788 HydrophobicContact CE1-CE2 3.52Å; Y768-F788 AromaticContact CE1-CZ 3.98Å; Y768-F788 HydrophobicContact CE1-CZ 3.98Å; Y785-F788 PolarHBondContact O-N 2.86Å; F788-N790 VanDerWaalsContact CB-OD1 3.28Å; F788-N790 WeakPolarHBondContact CB-OD1 3.46Å
789	G	95.3	Very high	95.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.01	17%	0.173	C	C	.	.			trans	93.4	-17.9	177.1	0	0	0	0	0	116	F718 I784 Y785	F718-G789 VanDerWaalsContact CE2-CA 3.43Å; F718-G789 VanDerWaalsContact CE2-O 3.25Å; F718-G789 WeakPolarHBondContact CE2-O 3.41Å; F718-G789 VanDerWaalsContact CG-CA 3.48Å; I784-G789 WeakPolarHBondContact CD1-O 3.49Å; I784-G789 WeakPolarHBondContact CG1-O 3.44Å; Y785-G789 PolarHBondContact O-N 2.86Å
790	N	95.6	Very high	95.9	Very high	27 Å²	27	32 Å²	32	14%	0.144	16%	0.163	C	C	.	.			trans	-68.2	155.4	179	66.2	-55.8	0	0	0	112.1	D710 F761 I784 Y785 F788	D710-N790 HydrophobicContact CB-CB 4.2Å; D710-N790 WeakPolarHBondContact OD1-CA 3.38Å; D710-N790 WeakPolarHBondContact OD1-CB 3.4Å; F761-N790 VanDerWaalsContact CE2-ND2 3.31Å; F761-N790 WeakPolarHBondContact CE2-ND2 3.48Å; I784-N790 WeakPolarHBondContact CA-O 3.46Å; Y785-N790 WeakPolarHBondContact CD2-ND2 3.27Å; Y785-N790 WeakPolarHBondContact CD2-O 3.44Å; Y785-N790 PolarHBondContact N-O 3.36Å; F788-N790 VanDerWaalsContact CB-OD1 3.28Å; F788-N790 WeakPolarHBondContact CB-OD1 3.46Å
791	R	96.4	Very high	95.8	Very high	101 Å²	101	31 Å²	31	38%	0.381	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.9	-176.6	-68.3	176.1	178.5	82.8	-4.7	112.3	Q712 E773 V783 I784	Q712-R791 VanDerWaalsContact CD-NH1 3.32Å; E773-R791 IonicContact OE1-CZ 3.32Å; E773-R791 IonicContact OE1-NE 3.17Å; E773-R791 PolarHBondContact OE1-NE 2.8Å; E773-R791 IonicContact OE1-NH2 3.1Å; E773-R791 PolarHBondContact OE1-NH2 3.19Å; E773-R791 WeakPolarHBondContact OE2-CD 3.41Å; E773-R791 IonicContact OE2-CZ 2.99Å; E773-R791 IonicContact OE2-NE 2.7Å; E773-R791 PolarHBondContact OE2-NE 3.02Å; E773-R791 IonicContact OE2-NH2 3.91Å; V783-R791 WeakPolarHBondContact O-CA 3.38Å; I784-R791 HydrophobicContact CB-CG 3.93Å; I784-R791 HydrophobicContact CG1-CG 4.07Å
792	E	96.7	Very high	95.7	Very high	40 Å²	40	31.3 Å²	31.3	19%	0.187	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	155.1	173.9	-70.8	-173.8	157.8	0	0	111.6	F761 S762 V783 Y785 R794	F761-E792 WeakPolarHBondContact CE2-OE1 3.2Å; S762-E792 VanDerWaalsContact CB-OE1 3.28Å; S762-E792 WeakPolarHBondContact CB-OE1 3.39Å; S762-E792 WeakPolarHBondContact CB-OE2 3.11Å; S762-E792 PolarHBondContact N-OE2 3.38Å; S762-E792 PolarHBondContact OG-OE1 3.38Å; V783-E792 WeakPolarHBondContact CG2-O 3.27Å; V783-E792 PolarHBondContact N-O 3.3Å; V783-E792 PolarHBondContact O-N 3.43Å; Y785-E792 HydrophobicContact CE2-CB 4.07Å; Y785-E792 HydrophobicContact CE2-CG 3.94Å; Y785-E792 PolarHBondContact OH-OE2 3.2Å; E792-R794 HydrophobicContact CB-CG 4.34Å; E792-R794 WeakPolarHBondContact OE2-CD 3.36Å; E792-R794 IonicContact OE2-NE 3.51Å
793	T	97.7	Very high	95.4	Very high	56 Å²	56	31.5 Å²	31.5	34%	0.344	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	122.6	163	-52.2	0	0	0	0	109.1	K776 Q780 F781 D782	K776-T793 HydrophobicContact CD-CG2 4.45Å; K776-T793 PolarHBondContact NZ-OG1 3.27Å; Q780-T793 HydrophobicContact CB-CG2 3.89Å; Q780-T793 HydrophobicContact CG-CG2 4.33Å; F781-T793 CarbonylContact O-C 3.52Å; F781-T793 VanDerWaalsContact O-CA 3.27Å; F781-T793 WeakPolarHBondContact O-CA 3.44Å; D782-T793 PolarHBondContact OD1-OG1 2.7Å
794	R	96	Very high	95.1	Very high	18 Å²	18	36.7 Å²	36.7	7%	0.068	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	155.5	178.6	-53.3	-57.5	-72.1	144.8	-1.4	111	L760 F781 V783 E792 Q798 L799	L760-R794 PolarHBondContact O-NE 3.35Å; L760-R794 PolarHBondContact O-NH2 3.46Å; F781-R794 PolarHBondContact N-O 3.18Å; F781-R794 PolarHBondContact O-N 3.19Å; V783-R794 HydrophobicContact CG2-CG 3.85Å; E792-R794 HydrophobicContact CB-CG 4.34Å; E792-R794 WeakPolarHBondContact OE2-CD 3.36Å; E792-R794 IonicContact OE2-NE 3.51Å; R794-Q798 HydrophobicContact CB-CB 4.24Å; R794-Q798 VanDerWaalsContact NH2-NE2 3.15Å; R794-L799 HydrophobicContact CB-CD2 4.07Å; R794-L799 HydrophobicContact CB-CG 4.37Å
795	N	94	Very high	94.7	Very high	51 Å²	51	39.3 Å²	39.3	27%	0.273	23%	0.227	S	C	.	.			trans	-89.6	164.1	176.8	-69.8	35.2	0	0	0	111.4	D779 T797 Q798 L799	D779-N795 VanDerWaalsContact O-CA 3.23Å; D779-N795 WeakPolarHBondContact O-CA 3.49Å; D779-N795 WeakPolarHBondContact O-CB 3.26Å; D779-N795 PolarHBondContact O-OD1 3.42Å; D779-N795 WeakPolarHBondContact OD1-CB 3.42Å; D779-N795 PolarHBondContact OD2-ND2 2.99Å; N795-T797 PolarHBondContact O-N 2.99Å; N795-Q798 VanDerWaalsContact N-OE1 3.12Å; N795-Q798 WeakPolarHBondContact O-CA 3.22Å; N795-Q798 WeakPolarHBondContact O-CB 3.39Å; N795-Q798 PolarHBondContact O-N 2.7Å; N795-L799 PolarHBondContact O-N 3.26Å
796	A	90.5	Very high	94.6	Very high	28 Å²	28	40 Å²	40	23%	0.231	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-57	-35.4	-179.6	0	0	0	0	0	111.9	D779 F781 Q798 L799	D779-A796 VanDerWaalsContact OD1-CB 3.26Å; D779-A796 WeakPolarHBondContact OD1-CB 3.45Å; D779-A796 PolarHBondContact OD1-N 2.96Å; F781-A796 HydrophobicContact CE2-CB 3.97Å; A796-Q798 PolarHBondContact O-N 2.96Å; A796-Q798 VanDerWaalsContact O-N 3.13Å; A796-L799 PolarHBondContact O-N 3.4Å; A796-L799 VanDerWaalsContact O-O 3.1Å
797	T	91.1	Very high	94.2	Very high	98 Å²	98	41.3 Å²	41.3	60%	0.601	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-69	-5.5	176.8	57.6	0	0	0	0	114.4	T746 N795	T746-T797 WeakPolarHBondContact CG2-O 3.23Å; N795-T797 PolarHBondContact O-N 2.99Å
798	Q	94.4	Very high	93.7	Very high	46 Å²	46	48.4 Å²	48.4	22%	0.215	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-116.3	7.4	180	-64.8	167.3	-25.3	0	0	111.6	A759 L760 W767 R794 N795 A796	A759-Q798 WeakPolarHBondContact CA-O 3.41Å; L760-Q798 HydrophobicContact CB-CB 4.19Å; L760-Q798 HydrophobicContact CD2-CG 4.48Å; L760-Q798 PolarHBondContact N-O 3.47Å; W767-Q798 VanDerWaalsContact CZ3-O 3.24Å; W767-Q798 WeakPolarHBondContact CZ3-O 3.18Å; R794-Q798 HydrophobicContact CB-CB 4.24Å; R794-Q798 VanDerWaalsContact NH2-NE2 3.15Å; N795-Q798 VanDerWaalsContact N-OE1 3.12Å; N795-Q798 WeakPolarHBondContact O-CA 3.22Å; N795-Q798 WeakPolarHBondContact O-CB 3.39Å; N795-Q798 PolarHBondContact O-N 2.7Å; A796-Q798 PolarHBondContact O-N 2.96Å; A796-Q798 VanDerWaalsContact O-N 3.13Å
799	L	95.9	Very high	93.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.1	176.6	-60.6	-177.5	0	0	0	109.7	T746 Y749 P751 A758 A759 F781 V783 R794 N795 A796	T746-L799 WeakPolarHBondContact CG2-O 3.29Å; Y749-L799 HydrophobicContact CD1-CB 3.9Å; Y749-L799 HydrophobicContact CE1-CB 3.95Å; P751-L799 HydrophobicContact CB-CD1 4.07Å; P751-L799 HydrophobicContact CG-CB 4.29Å; P751-L799 HydrophobicContact CG-CD1 3.73Å; A758-L799 WeakPolarHBondContact O-CA 3.15Å; A759-L799 HydrophobicContact CB-CD2 3.46Å; A759-L799 VanDerWaalsContact CB-CD2 3.46Å; F781-L799 HydrophobicContact CB-CD1 3.7Å; F781-L799 HydrophobicContact CD1-CD1 4.46Å; F781-L799 HydrophobicContact CD2-CD1 3.78Å; F781-L799 HydrophobicContact CG-CD1 3.72Å; V783-L799 HydrophobicContact CG1-CD1 4.34Å; V783-L799 HydrophobicContact CG1-CD2 3.99Å; R794-L799 HydrophobicContact CB-CD2 4.07Å; R794-L799 HydrophobicContact CB-CG 4.37Å; N795-L799 PolarHBondContact O-N 3.26Å; A796-L799 PolarHBondContact O-N 3.4Å; A796-L799 VanDerWaalsContact O-O 3.1Å
800	A	95	Very high	93.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	156.4	-178.5	0	0	0	0	0	109.8	M739 P745 T746 C757 A758 W767 L802	M739-A800 HydrophobicContact CE-CB 3.41Å; M739-A800 VanDerWaalsContact CE-CB 3.41Å; P745-A800 HydrophobicContact CB-CB 4.09Å; P745-A800 WeakPolarHBondContact O-CB 3.48Å; T746-A800 HydrophobicContact CG2-CB 4.22Å; C757-A800 WeakPolarHBondContact CB-O 3.22Å; A758-A800 HydrophobicContact CB-CB 4.39Å; A758-A800 PolarHBondContact N-O 2.93Å; A758-A800 PolarHBondContact O-N 3.27Å; W767-A800 HydrophobicContact CH2-CB 4.12Å; W767-A800 HydrophobicContact CZ3-CB 3.92Å; A800-L802 PolarHBondContact O-N 2.9Å
801	P	94.3	Very high	93.2	Very high	68 Å²	68	55.4 Å²	55.4	44%	0.442	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	134.3	173	27.8	-31.3	0	0	0	108.6	P745 Y749 P803	P745-P801 VanDerWaalsContact O-CD 3.26Å; P745-P801 WeakPolarHBondContact O-CD 3.48Å; Y749-P801 HydrophobicContact CD2-CB 3.76Å; Y749-P801 HydrophobicContact CD2-CG 4.11Å; Y749-P801 HydrophobicContact CE2-CB 3.88Å; P801-P803 WeakPolarHBondContact O-CD 3.37Å
802	L	94.6	Very high	93.1	Very high	18 Å²	18	51 Å²	51	9%	0.094	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-70.8	125.9	174.9	-173.8	66.1	0	0	0	108.7	L735 L756 A758 R769 A800 A807	L735-L802 HydrophobicContact CD1-CD1 3.92Å; L735-L802 HydrophobicContact CD2-CD1 4.35Å; L756-L802 HydrophobicContact CB-CD2 4.15Å; A758-L802 HydrophobicContact CB-CD1 4.19Å; R769-L802 HydrophobicContact CB-CD1 4.46Å; R769-L802 HydrophobicContact CG-CD1 3.85Å; R769-L802 HydrophobicContact CG-CD2 4.34Å; A800-L802 PolarHBondContact O-N 2.9Å; L802-A807 HydrophobicContact CD2-CB 4.21Å
803	P	92	Very high	93.1	Very high	31 Å²	31	49.5 Å²	49.5	20%	0.201	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-58.5	135.4	175.1	-20.7	29.9	0	0	0	110.3	L735 M739 P801 A805 Y806	L735-P803 HydrophobicContact CD1-CG 4.32Å; M739-P803 HydrophobicContact SD-CG 3.98Å; P801-P803 WeakPolarHBondContact O-CD 3.37Å; P803-A805 PolarHBondContact O-N 3.01Å; P803-Y806 HydrophobicContact CB-CD2 3.63Å; P803-Y806 HydrophobicContact CB-CE2 3.73Å; P803-Y806 HydrophobicContact CG-CD2 3.86Å; P803-Y806 HydrophobicContact CG-CE2 3.88Å; P803-Y806 PolarHBondContact O-N 2.73Å
804	P	89.8	Confident	93	Very high	109 Å²	109	50 Å²	50	71%	0.708	30%	0.303	S	S	*	.	H	α-helix	trans	-56.3	-28.3	-171.3	-29	35	0	0	0	115.1	Y806 A807	P804-Y806 PolarHBondContact O-N 3.48Å; P804-A807 PolarHBondContact O-N 3.37Å
805	A	91.2	Very high	93	Very high	68 Å²	68	51.3 Å²	51.3	56%	0.562	31%	0.31	S	S	*	.	H	α-helix	trans	-56	-31.4	177.1	0	0	0	0	0	112.9	P803 H809	P803-A805 PolarHBondContact O-N 3.01Å; A805-H809 PolarHBondContact O-CD2 3.49Å
806	Y	94.2	Very high	93.2	Very high	17 Å²	17	48.9 Å²	48.9	7%	0.067	30%	0.297	C	S	.	.	H	α-helix	trans	-96.1	-10.5	-176	-50.5	-67.6	0	0	0	113.6	M731 D734 L735 D738 R769 P803 P804	M731-Y806 HydrophobicContact CG-CD1 3.87Å; M731-Y806 HydrophobicContact CG-CE1 4.5Å; M731-Y806 HydrophobicContact SD-CD1 4.14Å; D734-Y806 VanDerWaalsContact C-OH 3.24Å; D734-Y806 HydrophobicContact CB-CE1 3.98Å; D734-Y806 PolarHBondContact O-OH 3.31Å; L735-Y806 HydrophobicContact CB-CD1 4.15Å; L735-Y806 HydrophobicContact CB-CD2 4.31Å; L735-Y806 HydrophobicContact CB-CE1 4.05Å; L735-Y806 HydrophobicContact CB-CE2 4.24Å; L735-Y806 HydrophobicContact CB-CG 4.28Å; L735-Y806 HydrophobicContact CD1-CD2 3.51Å; L735-Y806 HydrophobicContact CD1-CE2 3.8Å; L735-Y806 HydrophobicContact CD1-CG 4.02Å; L735-Y806 HydrophobicContact CG-CD2 4.48Å; L735-Y806 PolarHBondContact N-OH 2.74Å; D738-Y806 HydrophobicContact CB-CE2 4.31Å; D738-Y806 WeakPolarHBondContact OD2-CE2 3.48Å; D738-Y806 PolarHBondContact OD2-OH 2.94Å; R769-Y806 WeakPolarHBondContact CD-O 3.34Å; R769-Y806 PolarHBondContact NH1-O 3.46Å; P803-Y806 HydrophobicContact CB-CD2 3.63Å; P803-Y806 HydrophobicContact CB-CE2 3.73Å; P803-Y806 HydrophobicContact CG-CD2 3.86Å; P803-Y806 HydrophobicContact CG-CE2 3.88Å; P803-Y806 PolarHBondContact O-N 2.73Å; P804-Y806 PolarHBondContact O-N 3.48Å
807	A	89.7	Confident	93.5	Very high	38 Å²	38	48 Å²	48	31%	0.314	29%	0.289	S	S	.	.	H	α-helix	trans	-73.2	-29.8	-175.6	0	0	0	0	0	113	L802 P804	L802-A807 HydrophobicContact CD2-CB 4.21Å; P804-A807 PolarHBondContact O-N 3.37Å
808	N	87	Confident	93.7	Very high	150 Å²	150	43.7 Å²	43.7	80%	0.802	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-7.5	-176.2	-67.3	-23.5	0	0	0	113.9
809	H	90.8	Very high	93.8	Very high	71 Å²	71	41.5 Å²	41.5	33%	0.329	25%	0.252	S	S	.	.	S	Bend	trans	-71.5	135.6	172.6	-73.2	-100.9	0	0	0	109.4	M731 R769 A805	M731-H809 HydrophobicContact CE-CB 4.4Å; R769-H809 PolarHBondContact NH1-O 2.97Å; A805-H809 PolarHBondContact O-CD2 3.49Å
810	P	91.3	Very high	93.8	Very high	94 Å²	94	41.5 Å²	41.5	61%	0.61	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-59.6	151.3	174	26.5	-33.6	0	0	0	110.3	R769 G812	R769-P810 PolarHBondContact NH2-O 3.21Å; P810-G812 PolarHBondContact O-N 3.34Å
811	P	94.7	Very high	93.8	Very high	62 Å²	62	42.4 Å²	42.4	40%	0.403	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-51.8	131.3	170.8	-26.1	35.7	0	0	0	110.9	I786 A813	I786-P811 HydrophobicContact CB-CB 4.26Å; I786-P811 HydrophobicContact CD1-CB 4.45Å; I786-P811 HydrophobicContact CD1-CG 4.42Å; I786-P811 WeakPolarHBondContact O-CB 3.5Å; P811-A813 VanDerWaalsContact C-N 3.27Å; P811-A813 PolarHBondContact O-N 2.95Å
812	G	94.2	Very high	93.8	Very high	7 Å²	7	43.4 Å²	43.4	7%	0.072	26%	0.255	C	S	.	.	S	Bend	trans	-69.8	-25.2	179	0	0	0	0	0	113.2	D787 P810	D787-G812 CarbonylContact O-C 3.48Å; D787-G812 PolarHBondContact OD1-N 3.1Å; P810-G812 PolarHBondContact O-N 3.34Å
813	A	96.6	Very high	93.7	Very high	9 Å²	9	44.2 Å²	44.2	7%	0.074	26%	0.259	C	S	.	.			trans	-102.5	136.6	176.3	0	0	0	0	0	111.7	F718 V719 I786 D787 P811	F718-A813 HydrophobicContact CB-CB 4.12Å; F718-A813 HydrophobicContact CD1-CB 3.93Å; F718-A813 HydrophobicContact CG-CB 4.39Å; V719-A813 WeakPolarHBondContact O-CA 3.36Å; I786-A813 PolarHBondContact O-N 3.29Å; D787-A813 VanDerWaalsContact O-CB 3.31Å; D787-A813 WeakPolarHBondContact O-CB 3.22Å; D787-A813 PolarHBondContact O-N 2.98Å; P811-A813 VanDerWaalsContact C-N 3.27Å; P811-A813 PolarHBondContact O-N 2.95Å
814	K	95.3	Very high	93.4	Very high	68 Å²	68	43 Å²	43	30%	0.296	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131	173.3	179.5	62.5	172.8	167.1	0	109.7	F718 V719 Y721 N856 D858	F718-K814 WeakPolarHBondContact CA-O 3.05Å; V719-K814 HydrophobicContact CG2-CB 4.28Å; V719-K814 PolarHBondContact N-O 3.25Å; V719-K814 PolarHBondContact O-N 2.96Å; Y721-K814 HydrophobicContact CE2-CB 4.37Å; K814-N856 PolarHBondContact NZ-O 3.41Å; K814-D858 WeakPolarHBondContact CE-OD1 3.37Å; K814-D858 WeakPolarHBondContact CE-OD2 3.47Å; K814-D858 IonicContact NZ-OD1 2.95Å; K814-D858 PolarHBondContact NZ-OD1 2.81Å; K814-D858 IonicContact NZ-OD2 3.62Å
815	E	96.4	Very high	93.1	Very high	44 Å²	44	43.2 Å²	43.2	21%	0.206	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	130.3	175.9	-165.7	171.7	-159	0	0	110.5	Q712 F718 D858	Q712-E815 PolarHBondContact NE2-OE1 2.9Å; Q712-E815 PolarHBondContact OE1-OE1 2.84Å; F718-E815 HydrophobicContact CD1-CB 3.94Å; F718-E815 HydrophobicContact CD1-CG 4.48Å; F718-E815 HydrophobicContact CE1-CB 3.51Å; F718-E815 HydrophobicContact CE1-CG 4.01Å; F718-E815 HydrophobicContact CZ-CB 4.05Å; F718-E815 HydrophobicContact CZ-CG 4.05Å; E815-D858 PolarHBondContact O-N 3.34Å
816	C	97.3	Very high	92.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	162.4	-177.3	-64.6	0	0	0	0	111.6	R716 F717 D858 V860	R716-C816 WeakPolarHBondContact CA-O 3.3Å; F717-C816 HydrophobicContact CD2-CB 4.22Å; F717-C816 HydrophobicContact CE1-CB 4.35Å; F717-C816 HydrophobicContact CE2-CB 3.74Å; F717-C816 HydrophobicContact CZ-CB 3.82Å; F717-C816 PolarHBondContact N-O 3.37Å; F717-C816 PolarHBondContact O-N 3.45Å; C816-D858 CarbonylContact C-O 3.52Å; C816-D858 WeakPolarHBondContact CA-O 3.41Å; C816-V860 HydrophobicContact CB-CG1 4.29Å; C816-V860 HydrophobicContact CB-CG2 4.28Å
817	A	96.9	Very high	92.4	Very high	10 Å²	10	49.5 Å²	49.5	8%	0.083	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	157.3	166.6	0	0	0	0	0	109.3	A819 I857 D858 Y859 V860	A817-A819 PolarHBondContact O-N 2.95Å; A817-I857 HydrophobicContact CB-CG2 4.12Å; A817-D858 PolarHBondContact N-O 3.35Å; A817-Y859 HydrophobicContact CB-CD1 3.87Å; A817-Y859 HydrophobicContact CB-CE1 3.83Å; A817-Y859 HydrophobicContact CB-CG 4.37Å; A817-Y859 CarbonylContact O-C 3.58Å; A817-Y859 VanDerWaalsContact O-CA 3.27Å; A817-Y859 WeakPolarHBondContact O-CA 3.37Å; A817-V860 PolarHBondContact O-N 2.95Å
818	L	97.2	Very high	92.3	Very high	7 Å²	7	54.3 Å²	54.3	4%	0.037	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	127.8	174.3	-67.5	175.8	0	0	0	110.1	F717 V821 F837 L862 L873	F717-L818 HydrophobicContact CE1-CD2 4.08Å; F717-L818 HydrophobicContact CE1-CG 3.97Å; F717-L818 HydrophobicContact CZ-CD2 4.1Å; F717-L818 HydrophobicContact CZ-CG 4.49Å; L818-V821 HydrophobicContact CB-CB 3.88Å; L818-V821 HydrophobicContact CB-CG2 4.01Å; L818-F837 HydrophobicContact CD1-CD2 4.13Å; L818-F837 HydrophobicContact CD1-CE2 3.95Å; L818-F837 HydrophobicContact CD2-CE2 4.22Å; L818-F837 HydrophobicContact CG-CE2 4.35Å; L818-L862 HydrophobicContact CD2-CB 4.09Å; L818-L873 HydrophobicContact CD1-CD1 3.56Å
819	A	95.5	Very high	92.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	137.9	176.5	0	0	0	0	0	110.4	A817 V821 E851 Y852 V860 Y896	A817-A819 PolarHBondContact O-N 2.95Å; A819-V821 PolarHBondContact O-N 3.39Å; A819-E851 HydrophobicContact CB-CB 3.87Å; A819-E851 HydrophobicContact CB-CG 3.69Å; A819-Y852 HydrophobicContact CB-CE1 3.84Å; A819-V860 PolarHBondContact N-O 3.41Å; A819-Y896 WeakPolarHBondContact O-CE2 3.46Å
820	L	95.5	Very high	92.3	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	14	173.8	-49	171.8	0	0	0	115.3	Y852 V881 S882 R884 L892 I893 Y896	L820-Y852 HydrophobicContact CD2-CE1 4.34Å; L820-Y852 PolarHBondContact N-OH 2.92Å; L820-V881 CarbonylContact O-C 3.54Å; L820-V881 WeakPolarHBondContact O-CA 3.31Å; L820-S882 PolarHBondContact O-N 3.31Å; L820-R884 HydrophobicContact CD2-CB 3.57Å; L820-R884 HydrophobicContact CD2-CG 4.4Å; L820-L892 HydrophobicContact CD1-CB 4.44Å; L820-L892 HydrophobicContact CD1-CD2 3.92Å; L820-L892 HydrophobicContact CD1-CG 4.03Å; L820-I893 HydrophobicContact CD1-CB 4.49Å; L820-I893 HydrophobicContact CD1-CG1 3.51Å; L820-I893 HydrophobicContact CD2-CD1 4.38Å; L820-I893 HydrophobicContact CD2-CG1 3.99Å; L820-I893 HydrophobicContact CG-CG1 4.36Å; L820-Y896 HydrophobicContact CB-CD2 3.81Å; L820-Y896 HydrophobicContact CB-CE2 4.08Å; L820-Y896 HydrophobicContact CD1-CD2 4.39Å
821	V	96.1	Very high	92.2	Very high	19 Å²	19	44.1 Å²	44.1	12%	0.115	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.1	177.2	179.1	0	0	0	0	108.8	L818 A819 L874 C879 Y896	L818-V821 HydrophobicContact CB-CB 3.88Å; L818-V821 HydrophobicContact CB-CG2 4.01Å; A819-V821 PolarHBondContact O-N 3.39Å; V821-L874 HydrophobicContact CG2-CD1 4.23Å; V821-L874 HydrophobicContact CG2-CG 4.36Å; V821-C879 HydrophobicContact CG1-CB 3.5Å; V821-Y896 HydrophobicContact CG2-CE2 4.08Å
822	K	93.2	Very high	92.1	Very high	88 Å²	88	46 Å²	46	38%	0.383	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	142.4	171	69.9	-176.9	178.4	-170.5	0	110.3	C879 N880 V881	K822-C879 WeakPolarHBondContact O-CB 3.36Å; K822-N880 HydrophobicContact CD-CB 4.15Å; K822-N880 HydrophobicContact CG-CB 3.69Å; K822-N880 WeakPolarHBondContact CG-O 3.38Å; K822-N880 PolarHBondContact N-O 2.83Å; K822-N880 PolarHBondContact O-N 2.9Å; K822-V881 VanDerWaalsContact CE-O 3.26Å; K822-V881 WeakPolarHBondContact CE-O 3.33Å; K822-V881 PolarHBondContact NZ-O 2.71Å
823	L	92	Very high	92	Very high	35 Å²	35	45.7 Å²	45.7	18%	0.183	24%	0.24	C	C	.	.			trans	-69.2	149.8	170.6	-78.5	173.4	0	0	0	111.2	N714 L715 C830 A833	N714-L823 VanDerWaalsContact C-CD1 3.49Å; N714-L823 VanDerWaalsContact CA-CD1 3.44Å; N714-L823 HydrophobicContact CB-CD1 4.32Å; L715-L823 HydrophobicContact CB-CD1 4.3Å; L715-L823 HydrophobicContact CB-CG 4.37Å; L715-L823 HydrophobicContact CD1-CD1 4.43Å; L715-L823 HydrophobicContact CD1-CD2 3.42Å; L715-L823 VanDerWaalsContact CD1-CD2 3.42Å; L715-L823 HydrophobicContact CD1-CG 3.75Å; L715-L823 HydrophobicContact CG-CD1 4.06Å; L715-L823 HydrophobicContact CG-CD2 3.75Å; L715-L823 HydrophobicContact CG-CG 3.93Å; L823-C830 HydrophobicContact CD1-CB 4.47Å; L823-C830 HydrophobicContact CD2-CB 4.47Å; L823-A833 HydrophobicContact CD2-CB 3.58Å
824	P	86.9	Confident	91.8	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.032	25%	0.249	C	C	.	.			trans	-66.7	160.4	169.7	28.9	-32.7	0	0	0	110.8	D826 C830 Y878 V910 F916	P824-D826 PolarHBondContact O-N 3.02Å; P824-C830 PolarHBondContact O-SG 2.93Å; P824-Y878 WeakPolarHBondContact CD-O 3.47Å; P824-V910 HydrophobicContact CB-CG2 3.81Å; P824-V910 HydrophobicContact CG-CG2 4.31Å; P824-F916 HydrophobicContact CB-CE2 4.24Å; P824-F916 HydrophobicContact CB-CZ 4.2Å
825	P	82.3	Confident	91.7	Very high	114 Å²	114	52.9 Å²	52.9	74%	0.74	27%	0.267	S	S	*	.	S	Bend	trans	-72.4	-16.3	179.2	29.6	-34.2	0	0	0	113.2	F916	P825-F916 HydrophobicContact CG-CD2 4.36Å; P825-F916 HydrophobicContact CG-CE2 4.23Å
826	D	85.9	Confident	91.5	Very high	73 Å²	73	53 Å²	53	39%	0.39	27%	0.267	S	S	.	.			trans	-83.7	130.1	-177.7	-176.5	-79.6	0	0	0	111.8	P824 E828 Y829 C830	P824-D826 PolarHBondContact O-N 3.02Å; D826-E828 PolarHBondContact O-N 3.43Å; D826-E828 WeakPolarHBondContact OD1-CB 3.39Å; D826-E828 PolarHBondContact OD1-N 3.32Å; D826-Y829 HydrophobicContact CB-CD2 3.78Å; D826-Y829 PolarHBondContact O-N 2.97Å; D826-Y829 WeakPolarHBondContact OD1-CD2 3.49Å; D826-Y829 PolarHBondContact OD1-N 3Å; D826-C830 PolarHBondContact O-N 3.34Å; D826-C830 PolarHBondContact O-SG 3.11Å
827	I	86.1	Confident	91.5	Very high	145 Å²	145	53 Å²	53	74%	0.744	27%	0.267	S	S	*	.	H	α-helix	trans	-68.2	-34.1	-171.8	-64.7	169.4	0	0	0	112.2	C830 A831	I827-C830 WeakPolarHBondContact O-CB 3.35Å; I827-C830 PolarHBondContact O-N 2.56Å; I827-A831 PolarHBondContact O-N 3.03Å; I827-A831 VanDerWaalsContact O-N 3.08Å
828	E	87	Confident	91.4	Very high	139 Å²	139	55.3 Å²	55.3	65%	0.65	28%	0.278	S	S	*	.	H	α-helix	trans	-70.9	-43.8	179.6	-64.1	-171.4	170.2	0	0	110.4	D826 C830 A831 F832	D826-E828 PolarHBondContact O-N 3.43Å; D826-E828 WeakPolarHBondContact OD1-CB 3.39Å; D826-E828 PolarHBondContact OD1-N 3.32Å; E828-C830 VanDerWaalsContact C-N 3.32Å; E828-C830 PolarHBondContact O-N 2.83Å; E828-A831 WeakPolarHBondContact O-CB 3.23Å; E828-A831 PolarHBondContact O-N 3.43Å; E828-A831 VanDerWaalsContact O-N 3.09Å; E828-F832 HydrophobicContact CB-CE2 4.28Å; E828-F832 WeakPolarHBondContact O-CD2 3.31Å; E828-F832 WeakPolarHBondContact O-CG 3.4Å; E828-F832 PolarHBondContact O-N 2.88Å
829	Y	87.7	Confident	91.2	Very high	30 Å²	30	60 Å²	60	12%	0.118	30%	0.303	C	S	.	.	H	α-helix	trans	-65	-35.1	174.7	-71.4	-71.4	0	0	0	112.8	D826 A831 F832 A833 N909 V910 Q912	D826-Y829 HydrophobicContact CB-CD2 3.78Å; D826-Y829 PolarHBondContact O-N 2.97Å; D826-Y829 WeakPolarHBondContact OD1-CD2 3.49Å; D826-Y829 PolarHBondContact OD1-N 3Å; Y829-A831 VanDerWaalsContact C-N 3.32Å; Y829-A831 PolarHBondContact O-N 3.44Å; Y829-F832 HydrophobicContact CD1-CD2 4.18Å; Y829-F832 PolarHBondContact O-N 3.22Å; Y829-A833 WeakPolarHBondContact O-CB 3.48Å; Y829-A833 PolarHBondContact O-N 2.8Å; Y829-N909 VanDerWaalsContact CE1-O 3.3Å; Y829-N909 WeakPolarHBondContact CE1-O 3.38Å; Y829-N909 PolarHBondContact OH-O 3.49Å; Y829-V910 HydrophobicContact CD1-CB 4.23Å; Y829-V910 HydrophobicContact CD1-CG2 4.46Å; Y829-V910 HydrophobicContact CD2-CG2 4.28Å; Y829-V910 HydrophobicContact CE1-CB 4.45Å; Y829-V910 HydrophobicContact CG-CB 4.43Å; Y829-V910 HydrophobicContact CG-CG2 4.19Å; Y829-Q912 VanDerWaalsContact OH-CD 3.31Å; Y829-Q912 WeakPolarHBondContact OH-CG 3.5Å; Y829-Q912 PolarHBondContact OH-NE2 3.35Å
830	C	90.2	Very high	91.2	Very high	21 Å²	21	61.2 Å²	61.2	14%	0.142	31%	0.31	C	S	.	.	H	α-helix	trans	-57.5	-45.3	169.1	-73.9	0	0	0	0	112.1	L823 P824 D826 I827 E828 A833 M834	L823-C830 HydrophobicContact CD1-CB 4.47Å; L823-C830 HydrophobicContact CD2-CB 4.47Å; P824-C830 PolarHBondContact O-SG 2.93Å; D826-C830 PolarHBondContact O-N 3.34Å; D826-C830 PolarHBondContact O-SG 3.11Å; I827-C830 WeakPolarHBondContact O-CB 3.35Å; I827-C830 PolarHBondContact O-N 2.56Å; E828-C830 VanDerWaalsContact C-N 3.32Å; E828-C830 PolarHBondContact O-N 2.83Å; C830-A833 PolarHBondContact O-N 2.76Å; C830-M834 HydrophobicContact CB-CE 4.47Å; C830-M834 WeakPolarHBondContact O-CE 3.38Å; C830-M834 WeakPolarHBondContact O-CG 3.33Å; C830-M834 PolarHBondContact O-N 3.48Å
831	A	90.2	Very high	91.1	Very high	49 Å²	49	61.2 Å²	61.2	41%	0.405	31%	0.309	S	S	.	.	H	α-helix	trans	-62.7	-41.3	177.9	0	0	0	0	0	112.1	I827 E828 Y829 M834 R835	I827-A831 PolarHBondContact O-N 3.03Å; I827-A831 VanDerWaalsContact O-N 3.08Å; E828-A831 WeakPolarHBondContact O-CB 3.23Å; E828-A831 PolarHBondContact O-N 3.43Å; E828-A831 VanDerWaalsContact O-N 3.09Å; Y829-A831 VanDerWaalsContact C-N 3.32Å; Y829-A831 PolarHBondContact O-N 3.44Å; A831-M834 PolarHBondContact O-N 3.23Å; A831-R835 WeakPolarHBondContact O-CB 3.44Å; A831-R835 PolarHBondContact O-N 2.93Å
832	F	90.7	Very high	90.9	Very high	102 Å²	102	65.8 Å²	65.8	45%	0.447	33%	0.328	S	S	.	.	H	α-helix	trans	-64.9	-43.3	175.5	-62.5	-45.5	0	0	0	112.5	E828 Y829 R835 H836 Y878	E828-F832 HydrophobicContact CB-CE2 4.28Å; E828-F832 WeakPolarHBondContact O-CD2 3.31Å; E828-F832 WeakPolarHBondContact O-CG 3.4Å; E828-F832 PolarHBondContact O-N 2.88Å; Y829-F832 HydrophobicContact CD1-CD2 4.18Å; Y829-F832 PolarHBondContact O-N 3.22Å; F832-R835 PolarHBondContact O-N 2.66Å; F832-H836 WeakPolarHBondContact O-CB 3.47Å; F832-H836 PolarHBondContact O-N 2.89Å; F832-Y878 HydrophobicContact CB-CD1 4.04Å; F832-Y878 HydrophobicContact CB-CE1 3.9Å
833	A	93	Very high	90.6	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-60.8	-46	176.1	0	0	0	0	0	112.1	L823 Y829 C830 H836 F837	L823-A833 HydrophobicContact CD2-CB 3.58Å; Y829-A833 WeakPolarHBondContact O-CB 3.48Å; Y829-A833 PolarHBondContact O-N 2.8Å; C830-A833 PolarHBondContact O-N 2.76Å; A833-H836 PolarHBondContact O-N 2.81Å; A833-F837 WeakPolarHBondContact O-CB 3.42Å; A833-F837 PolarHBondContact O-N 2.8Å
834	M	92.9	Very high	90.6	Very high	53 Å²	53	70.5 Å²	70.5	26%	0.261	36%	0.355	S	S	.	.	H	α-helix	trans	-64.1	-42.2	177.8	-71.8	-175.7	-65.7	0	0	111.9	L715 C830 A831 F837 D838	L715-M834 HydrophobicContact CD2-CG 3.98Å; L715-M834 HydrophobicContact CG-CG 4.25Å; C830-M834 HydrophobicContact CB-CE 4.47Å; C830-M834 WeakPolarHBondContact O-CE 3.38Å; C830-M834 WeakPolarHBondContact O-CG 3.33Å; C830-M834 PolarHBondContact O-N 3.48Å; A831-M834 PolarHBondContact O-N 3.23Å; M834-F837 PolarHBondContact O-N 2.76Å; M834-D838 WeakPolarHBondContact O-CB 3.49Å; M834-D838 PolarHBondContact O-N 2.65Å
835	R	92.3	Very high	91	Very high	175 Å²	175	75.3 Å²	75.3	66%	0.66	38%	0.377	S	S	*	.	H	α-helix	trans	-62.6	-45.1	176.6	-176.7	179.2	-176.7	128.7	4.5	111.8	A831 F832 F837 D838 D839	A831-R835 WeakPolarHBondContact O-CB 3.44Å; A831-R835 PolarHBondContact O-N 2.93Å; F832-R835 PolarHBondContact O-N 2.66Å; R835-F837 VanDerWaalsContact C-N 3.32Å; R835-F837 PolarHBondContact O-N 2.92Å; R835-D838 PolarHBondContact O-N 2.94Å; R835-D839 VanDerWaalsContact O-CG 3.25Å; R835-D839 PolarHBondContact O-N 2.63Å
836	H	93.4	Very high	91.7	Very high	47 Å²	47	69.9 Å²	69.9	22%	0.218	34%	0.342	C	S	.	.	H	α-helix	trans	-67.1	-36.4	179.4	-165.9	65.2	0	0	0	112.1	F832 A833 D839 I840 L873 Y878	F832-H836 WeakPolarHBondContact O-CB 3.47Å; F832-H836 PolarHBondContact O-N 2.89Å; A833-H836 PolarHBondContact O-N 2.81Å; H836-D839 PolarHBondContact O-N 2.94Å; H836-I840 WeakPolarHBondContact O-CD1 3.19Å; H836-I840 VanDerWaalsContact O-CG1 3.3Å; H836-I840 WeakPolarHBondContact O-CG1 3.28Å; H836-I840 PolarHBondContact O-N 3.46Å; H836-L873 HydrophobicContact CB-CD2 4.3Å; H836-Y878 HydrophobicContact CB-CD2 4.04Å; H836-Y878 HydrophobicContact CB-CE1 4.43Å; H836-Y878 HydrophobicContact CB-CE2 3.71Å; H836-Y878 AromaticContact CD2-CD2 3.62Å; H836-Y878 AromaticContact CD2-CE2 3.3Å; H836-Y878 WeakPolarHBondContact CD2-CE2 3.4Å; H836-Y878 AromaticContact CG-CD2 3.89Å; H836-Y878 AromaticContact CG-CE2 3.32Å; H836-Y878 AromaticContact CG-CZ 3.85Å; H836-Y878 AromaticContact ND1-CE2 3.83Å; H836-Y878 AromaticContact NE2-CE2 3.78Å
837	F	96.3	Very high	92.3	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.2	-47.6	171.9	-179.7	-112.6	0	0	0	111.5	I711 L715 F717 L818 A833 M834 R835 D839 I840 V841 L862 V869 L873	I711-F837 HydrophobicContact CD1-CD1 3.8Å; I711-F837 HydrophobicContact CD1-CE1 3.99Å; I711-F837 HydrophobicContact CG1-CD1 4.28Å; I711-F837 HydrophobicContact CG1-CE1 4.1Å; I711-F837 HydrophobicContact CG2-CD1 4.2Å; I711-F837 HydrophobicContact CG2-CE1 4.44Å; L715-F837 HydrophobicContact CD2-CB 3.8Å; L715-F837 HydrophobicContact CD2-CD1 3.86Å; L715-F837 HydrophobicContact CD2-CG 3.89Å; F717-F837 HydrophobicContact CB-CE1 4.13Å; F717-F837 AromaticContact CD1-CE1 3.82Å; F717-F837 HydrophobicContact CD1-CE1 3.82Å; F717-F837 AromaticContact CD1-CZ 3.73Å; F717-F837 HydrophobicContact CD1-CZ 3.73Å; F717-F837 HydrophobicContact CD2-CZ 4.29Å; F717-F837 HydrophobicContact CE1-CE1 4.41Å; F717-F837 AromaticContact CE1-CZ 3.87Å; F717-F837 HydrophobicContact CE1-CZ 3.87Å; F717-F837 HydrophobicContact CE2-CZ 4.39Å; F717-F837 AromaticContact CG-CE1 3.94Å; F717-F837 HydrophobicContact CG-CE1 3.94Å; F717-F837 AromaticContact CG-CZ 3.97Å; F717-F837 HydrophobicContact CG-CZ 3.97Å; F717-F837 HydrophobicContact CZ-CZ 4.2Å; L818-F837 HydrophobicContact CD1-CD2 4.13Å; L818-F837 HydrophobicContact CD1-CE2 3.95Å; L818-F837 HydrophobicContact CD2-CE2 4.22Å; L818-F837 HydrophobicContact CG-CE2 4.35Å; A833-F837 WeakPolarHBondContact O-CB 3.42Å; A833-F837 PolarHBondContact O-N 2.8Å; M834-F837 PolarHBondContact O-N 2.76Å; R835-F837 VanDerWaalsContact C-N 3.32Å; R835-F837 PolarHBondContact O-N 2.92Å; F837-D839 PolarHBondContact O-N 2.87Å; F837-I840 PolarHBondContact O-N 2.77Å; F837-I840 VanDerWaalsContact O-N 3.14Å; F837-V841 HydrophobicContact CD1-CG2 4.37Å; F837-V841 HydrophobicContact CD2-CG1 4.07Å; F837-V841 HydrophobicContact CE1-CG2 4.08Å; F837-V841 HydrophobicContact CE2-CG1 3.65Å; F837-V841 HydrophobicContact CZ-CG1 3.94Å; F837-V841 HydrophobicContact CZ-CG2 4.19Å; F837-V841 WeakPolarHBondContact O-CG2 3.43Å; F837-V841 PolarHBondContact O-N 3.42Å; F837-V841 VanDerWaalsContact O-N 3.12Å; F837-L862 HydrophobicContact CE2-CD2 4.18Å; F837-L862 HydrophobicContact CZ-CD2 4.29Å; F837-V869 HydrophobicContact CD2-CG1 3.6Å; F837-V869 HydrophobicContact CE2-CG1 3.71Å; F837-L873 HydrophobicContact CB-CD1 4.3Å; F837-L873 HydrophobicContact CB-CD2 4.43Å; F837-L873 HydrophobicContact CD2-CD1 4.03Å
838	D	94.7	Very high	92.8	Very high	58 Å²	58	62.3 Å²	62.3	31%	0.31	30%	0.302	S	S	.	.	H	α-helix	trans	-56.7	-47.4	175.2	-171.6	53.5	0	0	0	111.5	I711 M834 R835 I840 V841 K842	I711-D838 HydrophobicContact CD1-CB 3.75Å; I711-D838 WeakPolarHBondContact CD1-OD1 3.36Å; M834-D838 WeakPolarHBondContact O-CB 3.49Å; M834-D838 PolarHBondContact O-N 2.65Å; R835-D838 PolarHBondContact O-N 2.94Å; D838-I840 PolarHBondContact O-N 3.1Å; D838-I840 VanDerWaalsContact O-N 3.1Å; D838-V841 PolarHBondContact O-N 3.25Å; D838-K842 WeakPolarHBondContact O-CB 3.2Å; D838-K842 PolarHBondContact O-N 2.7Å
839	D	93.9	Very high	93.3	Very high	105 Å²	105	56.1 Å²	56.1	56%	0.561	27%	0.273	S	S	*	.	H	α-helix	trans	-58.6	-25.4	178.7	-70.2	-25.9	0	0	0	113.3	R835 H836 F837	R835-D839 VanDerWaalsContact O-CG 3.25Å; R835-D839 PolarHBondContact O-N 2.63Å; H836-D839 PolarHBondContact O-N 2.94Å; F837-D839 PolarHBondContact O-N 2.87Å
840	I	94.3	Very high	93.7	Very high	27 Å²	27	56.7 Å²	56.7	14%	0.138	28%	0.28	C	S	.	.	H	α-helix	trans	-85.9	-44.5	178.4	-66.3	165.1	0	0	0	111.7	H836 F837 D838 H864 V869	H836-I840 WeakPolarHBondContact O-CD1 3.19Å; H836-I840 VanDerWaalsContact O-CG1 3.3Å; H836-I840 WeakPolarHBondContact O-CG1 3.28Å; H836-I840 PolarHBondContact O-N 3.46Å; F837-I840 PolarHBondContact O-N 2.77Å; F837-I840 VanDerWaalsContact O-N 3.14Å; D838-I840 PolarHBondContact O-N 3.1Å; D838-I840 VanDerWaalsContact O-N 3.1Å; I840-H864 HydrophobicContact CG2-CB 3.99Å; I840-V869 HydrophobicContact CD1-CG1 4.2Å; I840-V869 HydrophobicContact CG2-CG1 4.12Å; I840-V869 HydrophobicContact CG2-CG2 3.84Å
841	V	95.1	Very high	93.9	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-98.8	-18.1	-166	-55.6	0	0	0	0	114.1	V708 I711 F837 D838 D843 E844 L862 V869	V708-V841 HydrophobicContact CB-CB 4.11Å; V708-V841 HydrophobicContact CB-CG2 3.85Å; V708-V841 HydrophobicContact CG1-CG2 3.85Å; V708-V841 HydrophobicContact CG2-CB 3.76Å; V708-V841 HydrophobicContact CG2-CG1 4.3Å; V708-V841 HydrophobicContact CG2-CG2 3.88Å; I711-V841 HydrophobicContact CD1-CG2 4Å; F837-V841 HydrophobicContact CD1-CG2 4.37Å; F837-V841 HydrophobicContact CD2-CG1 4.07Å; F837-V841 HydrophobicContact CE1-CG2 4.08Å; F837-V841 HydrophobicContact CE2-CG1 3.65Å; F837-V841 HydrophobicContact CZ-CG1 3.94Å; F837-V841 HydrophobicContact CZ-CG2 4.19Å; F837-V841 WeakPolarHBondContact O-CG2 3.43Å; F837-V841 PolarHBondContact O-N 3.42Å; F837-V841 VanDerWaalsContact O-N 3.12Å; D838-V841 PolarHBondContact O-N 3.25Å; V841-D843 PolarHBondContact O-N 3.02Å; V841-E844 PolarHBondContact O-N 2.95Å; V841-L862 HydrophobicContact CG1-CD2 3.69Å; V841-V869 HydrophobicContact CG1-CG1 4.38Å
842	K	90	Very high	94	Very high	115 Å²	115	54.8 Å²	54.8	50%	0.5	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	127.4	-173.9	179.3	176.9	-177.5	174.4	0	111.4	D838 E844	D838-K842 WeakPolarHBondContact O-CB 3.2Å; D838-K842 PolarHBondContact O-N 2.7Å; K842-E844 WeakPolarHBondContact O-CG 3.32Å; K842-E844 PolarHBondContact O-N 3.04Å; K842-E844 VanDerWaalsContact O-N 3.1Å
843	D	86.9	Confident	93.9	Very high	137 Å²	137	58.1 Å²	58.1	73%	0.733	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	14.8	-179	-55.4	-45.2	0	0	0	114.1	V841	V841-D843 PolarHBondContact O-N 3.02Å
844	E	92.9	Very high	93.5	Very high	86 Å²	86	62.6 Å²	62.6	40%	0.402	29%	0.293	S	S	.	.			trans	-112.9	140.6	-176.5	-70.5	-73	156.4	0	0	111	V841 K842 H864	V841-E844 PolarHBondContact O-N 2.95Å; K842-E844 WeakPolarHBondContact O-CG 3.32Å; K842-E844 PolarHBondContact O-N 3.04Å; K842-E844 VanDerWaalsContact O-N 3.1Å; E844-H864 WeakPolarHBondContact CG-NE2 3.3Å; E844-H864 IonicContact OE2-CD2 3.75Å; E844-H864 IonicContact OE2-CE1 3.06Å; E844-H864 IonicContact OE2-NE2 3.86Å; E844-H864 PolarHBondContact OE2-NE2 3.02Å
845	Q	94.9	Very high	93.2	Very high	105 Å²	105	63.1 Å²	63.1	49%	0.491	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	128.2	172.8	-179.6	-178.4	-32.1	0	0	109.8	P705 F722	P705-Q845 HydrophobicContact CB-CG 4.48Å; F722-Q845 HydrophobicContact CE2-CB 4.34Å; F722-Q845 HydrophobicContact CE2-CG 3.78Å; F722-Q845 HydrophobicContact CZ-CB 4.12Å; F722-Q845 HydrophobicContact CZ-CG 3.86Å
846	C	97.5	Very high	92.9	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.007	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	156.6	176.6	-66.3	0	0	0	0	111.4	P705 V706 L862 L863	P705-C846 CarbonylContact C-O 3.6Å; P705-C846 WeakPolarHBondContact CA-O 3.48Å; V706-C846 HydrophobicContact CG2-CB 4.23Å; V706-C846 PolarHBondContact N-O 3.01Å; V706-C846 PolarHBondContact O-N 3.28Å; C846-L862 HydrophobicContact CB-CD1 3.54Å; C846-L862 HydrophobicContact CB-CD2 4.08Å; C846-L862 HydrophobicContact CB-CG 3.69Å; C846-L863 CarbonylContact C-O 3.6Å; C846-L863 VanDerWaalsContact CA-O 3.25Å; C846-L863 WeakPolarHBondContact CA-O 3.43Å
847	M	97.9	Very high	92.9	Very high	57 Å²	57	60.3 Å²	60.3	28%	0.281	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.7	170.2	-58.4	-59.8	-64.1	0	0	109.5	Y703 R704 P705 L862 L863	Y703-M847 HydrophobicContact CD1-CB 4.09Å; Y703-M847 HydrophobicContact CG-CB 4.4Å; R704-M847 WeakPolarHBondContact O-CA 3.34Å; P705-M847 HydrophobicContact CB-SD 3.93Å; M847-L862 CarbonylContact O-C 3.5Å; M847-L862 WeakPolarHBondContact O-CA 3.36Å; M847-L863 HydrophobicContact CB-CB 4.17Å; M847-L863 PolarHBondContact N-O 3.18Å; M847-L863 PolarHBondContact O-N 3.21Å
848	L	98	Very high	92.8	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.01	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.7	-176.3	-179.1	155.6	0	0	0	110.5	Y703 R704 V706 V719 Y721 V850 V860 T861 L862	Y703-L848 WeakPolarHBondContact CA-O 3.18Å; R704-L848 PolarHBondContact N-O 2.84Å; R704-L848 PolarHBondContact O-N 3.12Å; V706-L848 HydrophobicContact CB-CB 4.38Å; V706-L848 HydrophobicContact CG1-CB 3.84Å; V706-L848 HydrophobicContact CG1-CD1 4.19Å; V706-L848 HydrophobicContact CG2-CB 3.59Å; V706-L848 HydrophobicContact CG2-CD1 4.03Å; V706-L848 HydrophobicContact CG2-CG 4.49Å; V719-L848 HydrophobicContact CB-CD1 4.47Å; V719-L848 HydrophobicContact CG1-CD1 4.15Å; V719-L848 HydrophobicContact CG2-CD1 3.87Å; Y721-L848 HydrophobicContact CE1-CD2 4.41Å; Y721-L848 WeakPolarHBondContact OH-CD2 3.46Å; L848-V850 HydrophobicContact CD2-CG2 3.78Å; L848-V860 HydrophobicContact CD1-CB 4.22Å; L848-V860 HydrophobicContact CD1-CG1 4.05Å; L848-V860 HydrophobicContact CD1-CG2 3.99Å; L848-V860 HydrophobicContact CD2-CB 4.17Å; L848-V860 HydrophobicContact CD2-CG1 3.86Å; L848-V860 HydrophobicContact CG-CB 3.85Å; L848-V860 HydrophobicContact CG-CG1 3.95Å; L848-V860 HydrophobicContact CG-CG2 4.03Å; L848-T861 WeakPolarHBondContact CA-O 3.19Å; L848-L862 HydrophobicContact CB-CD1 3.93Å; L848-L862 HydrophobicContact CD1-CD1 4.38Å; L848-L862 HydrophobicContact CG-CD1 4.42Å
849	N	97.5	Very high	92.9	Very high	8 Å²	8	60 Å²	60	4%	0.043	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.7	166.5	176	62	0	0	0	109.7	P701 D702 Y703 E851 V860 T861	P701-N849 WeakPolarHBondContact CA-OD1 3.47Å; P701-N849 HydrophobicContact CB-CB 4.32Å; D702-N849 PolarHBondContact N-OD1 2.85Å; Y703-N849 HydrophobicContact CD1-CB 3.52Å; Y703-N849 HydrophobicContact CE1-CB 3.39Å; Y703-N849 HydrophobicContact CG-CB 4.23Å; N849-E851 PolarHBondContact ND2-OE1 3.12Å; N849-E851 PolarHBondContact ND2-OE2 3.4Å; N849-E851 PolarHBondContact O-N 2.88Å; N849-V860 CarbonylContact O-C 3.59Å; N849-V860 WeakPolarHBondContact O-CA 3.38Å; N849-V860 WeakPolarHBondContact O-CB 3.35Å; N849-T861 PolarHBondContact N-O 2.76Å; N849-T861 PolarHBondContact O-N 3.06Å
850	V	95.5	Very high	93.1	Very high	43 Å²	43	55 Å²	55	26%	0.261	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	117.9	174.8	-178.8	0	0	0	0	108.9	L848 R853 D858 V860	L848-V850 HydrophobicContact CD2-CG2 3.78Å; V850-R853 HydrophobicContact CG1-CG 4.34Å; V850-D858 HydrophobicContact CG1-CB 4.09Å; V850-D858 HydrophobicContact CG2-CB 4.27Å; V850-V860 HydrophobicContact CG2-CG1 4.17Å
851	E	94.1	Very high	93.3	Very high	6 Å²	6	53.8 Å²	53.8	3%	0.028	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-44	178.3	-60.5	-60.5	166.8	0	0	111.4	R699 A819 N849 Y859 T861 R888 L889 L892	R699-E851 IonicContact CZ-OE1 3.45Å; R699-E851 IonicContact NE-OE1 2.61Å; R699-E851 PolarHBondContact NE-OE1 3.34Å; R699-E851 VanDerWaalsContact NE-OE1 3.1Å; R699-E851 IonicContact NE-OE2 3.24Å; R699-E851 PolarHBondContact NE-OE2 3.36Å; R699-E851 VanDerWaalsContact NE-OE2 3.17Å; R699-E851 IonicContact NH2-OE1 3.1Å; R699-E851 PolarHBondContact NH2-OE1 2.89Å; A819-E851 HydrophobicContact CB-CB 3.87Å; A819-E851 HydrophobicContact CB-CG 3.69Å; N849-E851 PolarHBondContact ND2-OE1 3.12Å; N849-E851 PolarHBondContact ND2-OE2 3.4Å; N849-E851 PolarHBondContact O-N 2.88Å; E851-Y859 PolarHBondContact N-O 2.75Å; E851-T861 WeakPolarHBondContact CG-OG1 3.31Å; E851-T861 WeakPolarHBondContact OE1-CB 3.35Å; E851-T861 PolarHBondContact OE1-OG1 2.8Å; E851-R888 PolarHBondContact O-NH1 2.92Å; E851-R888 PolarHBondContact O-NH2 3.49Å; E851-R888 IonicContact OE2-NH1 3.94Å; E851-L889 HydrophobicContact CB-CD1 4.32Å; E851-L889 HydrophobicContact CB-CD2 4.25Å; E851-L889 VanDerWaalsContact OE2-CD2 3.23Å; E851-L889 WeakPolarHBondContact OE2-CD2 3.43Å; E851-L892 HydrophobicContact CG-CD2 4.35Å
852	Y	92.6	Very high	93.4	Very high	24 Å²	24	53.8 Å²	53.8	9%	0.094	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	168.1	177.5	56.1	-91.7	0	0	0	110.5	A819 L820 Y859 R884 L889	A819-Y852 HydrophobicContact CB-CE1 3.84Å; L820-Y852 HydrophobicContact CD2-CE1 4.34Å; L820-Y852 PolarHBondContact N-OH 2.92Å; Y852-Y859 AromaticContact CD2-CD2 3.92Å; Y852-Y859 HydrophobicContact CD2-CD2 3.92Å; Y852-Y859 AromaticContact CD2-CG 3.84Å; Y852-Y859 HydrophobicContact CD2-CG 3.84Å; Y852-Y859 AromaticContact CE2-CD1 3.61Å; Y852-Y859 HydrophobicContact CE2-CD1 3.61Å; Y852-Y859 AromaticContact CE2-CD2 3.48Å; Y852-Y859 HydrophobicContact CE2-CD2 3.48Å; Y852-Y859 VanDerWaalsContact CE2-CD2 3.48Å; Y852-Y859 HydrophobicContact CE2-CE1 4.25Å; Y852-Y859 HydrophobicContact CE2-CE2 4.18Å; Y852-Y859 AromaticContact CE2-CG 3.12Å; Y852-Y859 HydrophobicContact CE2-CG 3.12Å; Y852-Y859 AromaticContact CZ-CD1 3.67Å; Y852-Y859 AromaticContact CZ-CG 3.54Å; Y852-Y859 PolarHBondContact N-O 2.9Å; Y852-Y859 PolarHBondContact O-N 3.45Å; Y852-Y859 VanDerWaalsContact OH-CD1 3.22Å; Y852-Y859 WeakPolarHBondContact OH-CD1 3.37Å; Y852-R884 VanDerWaalsContact CG-CZ 3.49Å; Y852-L889 HydrophobicContact CD1-CD1 3.73Å; Y852-L889 HydrophobicContact CE1-CD1 4.1Å
853	R	89.1	Confident	93.7	Very high	172 Å²	172	49.4 Å²	49.4	65%	0.649	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.6	173.5	-62.4	-170.2	-175.4	123.4	5.9	110.1	V850 I857 D858	V850-R853 HydrophobicContact CG1-CG 4.34Å; R853-I857 WeakPolarHBondContact CA-O 3.28Å; R853-D858 VanDerWaalsContact CD-OD1 3.29Å; R853-D858 WeakPolarHBondContact CD-OD1 3.24Å; R853-D858 WeakPolarHBondContact CG-OD1 3.36Å; R853-D858 IonicContact NE-OD1 2.9Å; R853-D858 PolarHBondContact NE-OD1 2.66Å; R853-D858 IonicContact NE-OD2 3.7Å
854	D	84.4	Confident	94.1	Very high	93 Å²	93	44.4 Å²	44.4	50%	0.497	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	112	171.6	166.3	25.5	0	0	0	107.3	N856 I857 Y859	D854-N856 PolarHBondContact O-N 3.36Å; D854-I857 PolarHBondContact N-O 3.17Å; D854-I857 PolarHBondContact O-N 3.47Å; D854-I857 VanDerWaalsContact O-N 3.16Å; D854-Y859 HydrophobicContact CB-CD2 4.21Å; D854-Y859 HydrophobicContact CB-CE2 3.71Å
855	G	86.6	Confident	94.1	Very high	65 Å²	65	46.2 Å²	46.2	67%	0.67	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	-124.3	-163.8	0	0	0	0	0	112.2
856	N	85	Confident	93.9	Very high	147 Å²	147	48.3 Å²	48.3	79%	0.786	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	0.5	-178.7	-70.4	-38.5	0	0	0	114.1	K814 D854	K814-N856 PolarHBondContact NZ-O 3.41Å; D854-N856 PolarHBondContact O-N 3.36Å
857	I	92.9	Very high	93.8	Very high	16 Å²	16	52.1 Å²	52.1	8%	0.082	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.2	-173	-56.3	175.2	0	0	0	109.5	R716 A817 R853 D854 Y859	R716-I857 VanDerWaalsContact NH1-CD1 3.34Å; A817-I857 HydrophobicContact CB-CG2 4.12Å; R853-I857 WeakPolarHBondContact CA-O 3.28Å; D854-I857 PolarHBondContact N-O 3.17Å; D854-I857 PolarHBondContact O-N 3.47Å; D854-I857 VanDerWaalsContact O-N 3.16Å; I857-Y859 HydrophobicContact CB-CE2 4.34Å; I857-Y859 HydrophobicContact CG2-CD2 4.32Å; I857-Y859 HydrophobicContact CG2-CE2 4.09Å
858	D	95.2	Very high	93.7	Very high	7 Å²	7	50.4 Å²	50.4	4%	0.037	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.3	174.3	-67.5	13.8	0	0	0	108.3	K814 E815 C816 A817 V850 R853 V860	K814-D858 WeakPolarHBondContact CE-OD1 3.37Å; K814-D858 WeakPolarHBondContact CE-OD2 3.47Å; K814-D858 IonicContact NZ-OD1 2.95Å; K814-D858 PolarHBondContact NZ-OD1 2.81Å; K814-D858 IonicContact NZ-OD2 3.62Å; E815-D858 PolarHBondContact O-N 3.34Å; C816-D858 CarbonylContact C-O 3.52Å; C816-D858 WeakPolarHBondContact CA-O 3.41Å; A817-D858 PolarHBondContact N-O 3.35Å; V850-D858 HydrophobicContact CG1-CB 4.09Å; V850-D858 HydrophobicContact CG2-CB 4.27Å; R853-D858 VanDerWaalsContact CD-OD1 3.29Å; R853-D858 WeakPolarHBondContact CD-OD1 3.24Å; R853-D858 WeakPolarHBondContact CG-OD1 3.36Å; R853-D858 IonicContact NE-OD1 2.9Å; R853-D858 PolarHBondContact NE-OD1 2.66Å; R853-D858 IonicContact NE-OD2 3.7Å; D858-V860 HydrophobicContact CB-CG1 4.07Å
859	Y	96.6	Very high	93.7	Very high	45 Å²	45	50.4 Å²	50.4	18%	0.176	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.4	174.2	-76.6	-105.6	0	0	0	108.9	A817 E851 Y852 D854 I857	A817-Y859 HydrophobicContact CB-CD1 3.87Å; A817-Y859 HydrophobicContact CB-CE1 3.83Å; A817-Y859 HydrophobicContact CB-CG 4.37Å; A817-Y859 CarbonylContact O-C 3.58Å; A817-Y859 VanDerWaalsContact O-CA 3.27Å; A817-Y859 WeakPolarHBondContact O-CA 3.37Å; E851-Y859 PolarHBondContact N-O 2.75Å; Y852-Y859 AromaticContact CD2-CD2 3.92Å; Y852-Y859 HydrophobicContact CD2-CD2 3.92Å; Y852-Y859 AromaticContact CD2-CG 3.84Å; Y852-Y859 HydrophobicContact CD2-CG 3.84Å; Y852-Y859 AromaticContact CE2-CD1 3.61Å; Y852-Y859 HydrophobicContact CE2-CD1 3.61Å; Y852-Y859 AromaticContact CE2-CD2 3.48Å; Y852-Y859 HydrophobicContact CE2-CD2 3.48Å; Y852-Y859 VanDerWaalsContact CE2-CD2 3.48Å; Y852-Y859 HydrophobicContact CE2-CE1 4.25Å; Y852-Y859 HydrophobicContact CE2-CE2 4.18Å; Y852-Y859 AromaticContact CE2-CG 3.12Å; Y852-Y859 HydrophobicContact CE2-CG 3.12Å; Y852-Y859 AromaticContact CZ-CD1 3.67Å; Y852-Y859 AromaticContact CZ-CG 3.54Å; Y852-Y859 PolarHBondContact N-O 2.9Å; Y852-Y859 PolarHBondContact O-N 3.45Å; Y852-Y859 VanDerWaalsContact OH-CD1 3.22Å; Y852-Y859 WeakPolarHBondContact OH-CD1 3.37Å; D854-Y859 HydrophobicContact CB-CD2 4.21Å; D854-Y859 HydrophobicContact CB-CE2 3.71Å; I857-Y859 HydrophobicContact CB-CE2 4.34Å; I857-Y859 HydrophobicContact CG2-CD2 4.32Å; I857-Y859 HydrophobicContact CG2-CE2 4.09Å
860	V	97.9	Very high	93.6	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	151.3	-160.3	-50.1	0	0	0	0	112.6	F717 C816 A817 A819 L848 N849 V850 D858	F717-V860 HydrophobicContact CE2-CG2 4.42Å; F717-V860 HydrophobicContact CZ-CG2 3.77Å; C816-V860 HydrophobicContact CB-CG1 4.29Å; C816-V860 HydrophobicContact CB-CG2 4.28Å; A817-V860 PolarHBondContact O-N 2.95Å; A819-V860 PolarHBondContact N-O 3.41Å; L848-V860 HydrophobicContact CD1-CB 4.22Å; L848-V860 HydrophobicContact CD1-CG1 4.05Å; L848-V860 HydrophobicContact CD1-CG2 3.99Å; L848-V860 HydrophobicContact CD2-CB 4.17Å; L848-V860 HydrophobicContact CD2-CG1 3.86Å; L848-V860 HydrophobicContact CG-CB 3.85Å; L848-V860 HydrophobicContact CG-CG1 3.95Å; L848-V860 HydrophobicContact CG-CG2 4.03Å; N849-V860 CarbonylContact O-C 3.59Å; N849-V860 WeakPolarHBondContact O-CA 3.38Å; N849-V860 WeakPolarHBondContact O-CB 3.35Å; V850-V860 HydrophobicContact CG2-CG1 4.17Å; D858-V860 HydrophobicContact CB-CG1 4.07Å
861	T	97.7	Very high	93.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	126.7	159.7	-61.1	0	0	0	0	107.7	Y703 L848 N849 E851 L863 D868	Y703-T861 HydrophobicContact CE1-CG2 4.43Å; L848-T861 WeakPolarHBondContact CA-O 3.19Å; N849-T861 PolarHBondContact N-O 2.76Å; N849-T861 PolarHBondContact O-N 3.06Å; E851-T861 WeakPolarHBondContact CG-OG1 3.31Å; E851-T861 WeakPolarHBondContact OE1-CB 3.35Å; E851-T861 PolarHBondContact OE1-OG1 2.8Å; T861-L863 HydrophobicContact CG2-CD2 4.09Å; T861-D868 WeakPolarHBondContact CG2-OD2 3.5Å
862	L	97.4	Very high	93.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.7	178.5	-162.8	71.9	0	0	0	109	V706 V708 L818 F837 V841 C846 M847 L848 V869	V706-L862 HydrophobicContact CG2-CD1 3.91Å; V708-L862 HydrophobicContact CG2-CD2 4.14Å; L818-L862 HydrophobicContact CD2-CB 4.09Å; F837-L862 HydrophobicContact CE2-CD2 4.18Å; F837-L862 HydrophobicContact CZ-CD2 4.29Å; V841-L862 HydrophobicContact CG1-CD2 3.69Å; C846-L862 HydrophobicContact CB-CD1 3.54Å; C846-L862 HydrophobicContact CB-CD2 4.08Å; C846-L862 HydrophobicContact CB-CG 3.69Å; M847-L862 CarbonylContact O-C 3.5Å; M847-L862 WeakPolarHBondContact O-CA 3.36Å; L848-L862 HydrophobicContact CB-CD1 3.93Å; L848-L862 HydrophobicContact CD1-CD1 4.38Å; L848-L862 HydrophobicContact CG-CD1 4.42Å; L862-V869 HydrophobicContact CB-CB 4.38Å; L862-V869 HydrophobicContact CB-CG2 4.38Å; L862-V869 HydrophobicContact CD2-CG2 4.42Å; L862-V869 HydrophobicContact CG-CG2 4.46Å; L862-V869 WeakPolarHBondContact O-CG2 3.4Å; L862-V869 PolarHBondContact O-N 3.49Å
863	L	97.3	Very high	94	Very high	23 Å²	23	51 Å²	51	12%	0.12	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.1	174.4	-49.9	-179.3	0	0	0	110.4	Y703 C846 M847 T861 T867 D868	Y703-L863 HydrophobicContact CD1-CD1 4.05Å; Y703-L863 HydrophobicContact CD1-CG 4.28Å; Y703-L863 HydrophobicContact CD2-CD1 4.43Å; Y703-L863 HydrophobicContact CE1-CD1 3.58Å; Y703-L863 HydrophobicContact CE1-CD2 4.41Å; Y703-L863 HydrophobicContact CE1-CG 3.67Å; Y703-L863 HydrophobicContact CE2-CD1 3.97Å; Y703-L863 HydrophobicContact CG-CD1 4.47Å; C846-L863 CarbonylContact C-O 3.6Å; C846-L863 VanDerWaalsContact CA-O 3.25Å; C846-L863 WeakPolarHBondContact CA-O 3.43Å; M847-L863 HydrophobicContact CB-CB 4.17Å; M847-L863 PolarHBondContact N-O 3.18Å; M847-L863 PolarHBondContact O-N 3.21Å; T861-L863 HydrophobicContact CG2-CD2 4.09Å; L863-T867 CarbonylContact C-O 3.49Å; L863-T867 VanDerWaalsContact CA-O 3.28Å; L863-T867 WeakPolarHBondContact CA-O 3.26Å; L863-D868 HydrophobicContact CD2-CB 3.83Å
864	H	95.5	Very high	94.4	Very high	32 Å²	32	42.9 Å²	42.9	15%	0.148	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.5	166.3	175.3	-123.5	0	0	0	108.1	I840 E844 D866 T867 V869	I840-H864 HydrophobicContact CG2-CB 3.99Å; E844-H864 WeakPolarHBondContact CG-NE2 3.3Å; E844-H864 IonicContact OE2-CD2 3.75Å; E844-H864 IonicContact OE2-CE1 3.06Å; E844-H864 IonicContact OE2-NE2 3.86Å; E844-H864 PolarHBondContact OE2-NE2 3.02Å; H864-D866 VanDerWaalsContact C-N 3.3Å; H864-D866 PolarHBondContact O-N 3.01Å; H864-T867 PolarHBondContact N-O 2.93Å; H864-T867 WeakPolarHBondContact O-CA 3.49Å; H864-T867 VanDerWaalsContact O-CB 3.29Å; H864-T867 WeakPolarHBondContact O-CB 3.17Å; H864-T867 PolarHBondContact O-N 3.45Å; H864-V869 HydrophobicContact CB-CG2 4.01Å
865	N	92.4	Very high	94.9	Very high	124 Å²	124	44.6 Å²	44.6	66%	0.663	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.2	51.3	-174	-63.2	-47.9	0	0	0	112.8	T867	N865-T867 PolarHBondContact O-N 2.61Å; N865-T867 PolarHBondContact O-OG1 3.46Å
866	D	90.6	Very high	95.4	Very high	149 Å²	149	43 Å²	43	80%	0.797	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	7.6	-176	-59.2	-44.7	0	0	0	115.9	H864	H864-D866 VanDerWaalsContact C-N 3.3Å; H864-D866 PolarHBondContact O-N 3.01Å
867	T	94.7	Very high	95.8	Very high	81 Å²	81	36 Å²	36	50%	0.497	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.6	178	-57.5	0	0	0	0	110.5	L863 H864 N865 V869	L863-T867 CarbonylContact C-O 3.49Å; L863-T867 VanDerWaalsContact CA-O 3.28Å; L863-T867 WeakPolarHBondContact CA-O 3.26Å; H864-T867 PolarHBondContact N-O 2.93Å; H864-T867 WeakPolarHBondContact O-CA 3.49Å; H864-T867 VanDerWaalsContact O-CB 3.29Å; H864-T867 WeakPolarHBondContact O-CB 3.17Å; H864-T867 PolarHBondContact O-N 3.45Å; N865-T867 PolarHBondContact O-N 2.61Å; N865-T867 PolarHBondContact O-OG1 3.46Å; T867-V869 PolarHBondContact O-N 3.31Å
868	D	97.3	Very high	95.8	Very high	21 Å²	21	37.2 Å²	37.2	11%	0.112	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	112.7	173.9	-177.6	-30.5	0	0	0	110.9	T861 L863 G870 K871 S872 Y896	T861-D868 WeakPolarHBondContact CG2-OD2 3.5Å; L863-D868 HydrophobicContact CD2-CB 3.83Å; D868-G870 WeakPolarHBondContact OD1-CA 3.48Å; D868-G870 PolarHBondContact OD1-N 3.5Å; D868-K871 HydrophobicContact CB-CB 3.76Å; D868-K871 PolarHBondContact O-N 3.46Å; D868-K871 PolarHBondContact OD1-N 3.29Å; D868-S872 WeakPolarHBondContact O-CB 3.46Å; D868-S872 PolarHBondContact O-N 3.27Å; D868-Y896 PolarHBondContact OD1-OH 3.29Å; D868-Y896 WeakPolarHBondContact OD2-CE1 3.38Å; D868-Y896 PolarHBondContact OD2-OH 2.82Å
869	V	97.3	Very high	95.8	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	19%	0.186	C	C	.	.	H	α-helix	trans	-65.7	-40.9	-177.2	-179.3	0	0	0	0	111.3	F837 I840 V841 L862 H864 T867 S872 L873	F837-V869 HydrophobicContact CD2-CG1 3.6Å; F837-V869 HydrophobicContact CE2-CG1 3.71Å; I840-V869 HydrophobicContact CD1-CG1 4.2Å; I840-V869 HydrophobicContact CG2-CG1 4.12Å; I840-V869 HydrophobicContact CG2-CG2 3.84Å; V841-V869 HydrophobicContact CG1-CG1 4.38Å; L862-V869 HydrophobicContact CB-CB 4.38Å; L862-V869 HydrophobicContact CB-CG2 4.38Å; L862-V869 HydrophobicContact CD2-CG2 4.42Å; L862-V869 HydrophobicContact CG-CG2 4.46Å; L862-V869 WeakPolarHBondContact O-CG2 3.4Å; L862-V869 PolarHBondContact O-N 3.49Å; H864-V869 HydrophobicContact CB-CG2 4.01Å; T867-V869 PolarHBondContact O-N 3.31Å; V869-S872 WeakPolarHBondContact O-CB 3.42Å; V869-S872 PolarHBondContact O-N 2.88Å; V869-L873 HydrophobicContact CG1-CD1 4.49Å; V869-L873 WeakPolarHBondContact O-CG 3.41Å; V869-L873 PolarHBondContact O-N 3.25Å
870	G	96.4	Very high	95.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.9	-46	177.6	0	0	0	0	0	111.3	D868 S872 L873 L874	D868-G870 WeakPolarHBondContact OD1-CA 3.48Å; D868-G870 PolarHBondContact OD1-N 3.5Å; G870-S872 VanDerWaalsContact C-N 3.32Å; G870-S872 PolarHBondContact O-N 2.9Å; G870-L873 PolarHBondContact O-N 3.12Å; G870-L874 VanDerWaalsContact O-CG 3.31Å; G870-L874 WeakPolarHBondContact O-CG 3.41Å; G870-L874 PolarHBondContact O-N 3.38Å; G870-L874 VanDerWaalsContact O-N 3.11Å
871	K	96.9	Very high	95.4	Very high	61 Å²	61	35.5 Å²	35.5	27%	0.265	18%	0.182	S	C	.	.	H	α-helix	trans	-61.4	-39.2	173.8	-166.3	175.9	-176.3	173.6	0	112.2	D868 L874 R875 E895 Y896 A899	D868-K871 HydrophobicContact CB-CB 3.76Å; D868-K871 PolarHBondContact O-N 3.46Å; D868-K871 PolarHBondContact OD1-N 3.29Å; K871-L874 PolarHBondContact O-N 3.45Å; K871-R875 WeakPolarHBondContact O-CB 3.32Å; K871-R875 PolarHBondContact O-N 2.74Å; K871-E895 IonicContact NZ-OE2 2.82Å; K871-E895 PolarHBondContact NZ-OE2 3.1Å; K871-Y896 HydrophobicContact CB-CD1 4.12Å; K871-Y896 HydrophobicContact CB-CE1 3.72Å; K871-Y896 HydrophobicContact CD-CE1 4.46Å; K871-Y896 HydrophobicContact CG-CD1 4.19Å; K871-Y896 HydrophobicContact CG-CE1 4.23Å; K871-A899 HydrophobicContact CG-CB 3.91Å
872	S	96.1	Very high	95.1	Very high	34 Å²	34	37.3 Å²	37.3	24%	0.238	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-42.9	177	-175.3	0	0	0	0	112.3	D868 V869 G870 L874 R875 S876	D868-S872 WeakPolarHBondContact O-CB 3.46Å; D868-S872 PolarHBondContact O-N 3.27Å; V869-S872 WeakPolarHBondContact O-CB 3.42Å; V869-S872 PolarHBondContact O-N 2.88Å; G870-S872 VanDerWaalsContact C-N 3.32Å; G870-S872 PolarHBondContact O-N 2.9Å; S872-L874 VanDerWaalsContact C-N 3.34Å; S872-L874 PolarHBondContact O-N 2.95Å; S872-R875 PolarHBondContact O-N 3.08Å; S872-S876 VanDerWaalsContact O-CB 3.32Å; S872-S876 WeakPolarHBondContact O-CB 3.46Å; S872-S876 PolarHBondContact O-N 2.74Å; S872-S876 PolarHBondContact O-OG 2.88Å
873	L	97.2	Very high	94.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-41.1	175	-72.4	167	0	0	0	112	L818 H836 F837 V869 G870 G877 Y878 C879	L818-L873 HydrophobicContact CD1-CD1 3.56Å; H836-L873 HydrophobicContact CB-CD2 4.3Å; F837-L873 HydrophobicContact CB-CD1 4.3Å; F837-L873 HydrophobicContact CB-CD2 4.43Å; F837-L873 HydrophobicContact CD2-CD1 4.03Å; V869-L873 HydrophobicContact CG1-CD1 4.49Å; V869-L873 WeakPolarHBondContact O-CG 3.41Å; V869-L873 PolarHBondContact O-N 3.25Å; G870-L873 PolarHBondContact O-N 3.12Å; L873-G877 PolarHBondContact O-N 3.36Å; L873-Y878 HydrophobicContact CD2-CD2 4.09Å; L873-Y878 HydrophobicContact CD2-CG 4.42Å; L873-Y878 PolarHBondContact O-N 2.8Å; L873-C879 HydrophobicContact CB-CB 4.49Å
874	L	97	Very high	93.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-48.1	175.6	-66.6	169.8	0	0	0	111.7	V821 G870 K871 S872 S876 G877 C879 N880 V881 Y896 A899 A903	V821-L874 HydrophobicContact CG2-CD1 4.23Å; V821-L874 HydrophobicContact CG2-CG 4.36Å; G870-L874 VanDerWaalsContact O-CG 3.31Å; G870-L874 WeakPolarHBondContact O-CG 3.41Å; G870-L874 PolarHBondContact O-N 3.38Å; G870-L874 VanDerWaalsContact O-N 3.11Å; K871-L874 PolarHBondContact O-N 3.45Å; S872-L874 VanDerWaalsContact C-N 3.34Å; S872-L874 PolarHBondContact O-N 2.95Å; L874-S876 PolarHBondContact O-N 2.9Å; L874-G877 PolarHBondContact O-N 2.85Å; L874-C879 HydrophobicContact CD2-CB 4.07Å; L874-N880 WeakPolarHBondContact CD2-O 3.32Å; L874-V881 HydrophobicContact CD1-CG2 3.93Å; L874-V881 HydrophobicContact CD2-CG2 4.01Å; L874-Y896 HydrophobicContact CD1-CD1 4.39Å; L874-Y896 HydrophobicContact CD1-CD2 3.31Å; L874-Y896 HydrophobicContact CD1-CE2 4.03Å; L874-Y896 HydrophobicContact CD1-CG 3.52Å; L874-A899 HydrophobicContact CB-CB 4.19Å; L874-A903 VanDerWaalsContact O-CB 3.23Å; L874-A903 WeakPolarHBondContact O-CB 3.38Å
875	R	96	Very high	93	Very high	129 Å²	129	55.8 Å²	55.8	49%	0.487	28%	0.275	S	S	.	.	H	α-helix	trans	-62.9	-31.6	179.1	-167.6	174.9	178.9	113.9	-0.7	112.6	K871 S872 G877 A899 E902 A903 L908	K871-R875 WeakPolarHBondContact O-CB 3.32Å; K871-R875 PolarHBondContact O-N 2.74Å; S872-R875 PolarHBondContact O-N 3.08Å; R875-G877 VanDerWaalsContact C-N 3.29Å; R875-A899 WeakPolarHBondContact CA-O 3.39Å; R875-A899 HydrophobicContact CB-CB 4.03Å; R875-E902 IonicContact CZ-OE1 3.5Å; R875-E902 IonicContact CZ-OE2 2.74Å; R875-E902 IonicContact NE-OE2 2.99Å; R875-E902 PolarHBondContact NE-OE2 3.28Å; R875-E902 IonicContact NH1-OE1 3.34Å; R875-E902 PolarHBondContact NH1-OE1 3.37Å; R875-E902 IonicContact NH1-OE2 3.93Å; R875-E902 PolarHBondContact NH1-OE2 2.85Å; R875-E902 IonicContact NH2-OE1 3.6Å; R875-E902 IonicContact NH2-OE2 2.81Å; R875-A903 WeakPolarHBondContact O-CB 3.29Å; R875-L908 WeakPolarHBondContact O-CD1 3.43Å
876	S	95.2	Very high	92.5	Very high	32 Å²	32	51.9 Å²	51.9	22%	0.224	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-3.6	175	-57.1	0	0	0	0	113	S872 L874 Y878 L908 N909	S872-S876 VanDerWaalsContact O-CB 3.32Å; S872-S876 WeakPolarHBondContact O-CB 3.46Å; S872-S876 PolarHBondContact O-N 2.74Å; S872-S876 PolarHBondContact O-OG 2.88Å; L874-S876 PolarHBondContact O-N 2.9Å; S876-Y878 PolarHBondContact O-N 3.19Å; S876-L908 WeakPolarHBondContact O-CB 3.49Å; S876-N909 PolarHBondContact O-ND2 2.9Å
877	G	93.8	Very high	91.9	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	22	178.8	0	0	0	0	0	114.9	L873 L874 R875 N909 V910	L873-G877 PolarHBondContact O-N 3.36Å; L874-G877 PolarHBondContact O-N 2.85Å; R875-G877 VanDerWaalsContact C-N 3.29Å; G877-N909 WeakPolarHBondContact O-CB 3.3Å; G877-V910 WeakPolarHBondContact O-CB 3.45Å; G877-V910 WeakPolarHBondContact O-CG1 3.28Å; G877-V910 PolarHBondContact O-N 3.25Å
878	Y	94.2	Very high	91.4	Very high	42 Å²	42	51.4 Å²	51.4	17%	0.165	23%	0.232	C	C	.	.	S	Bend	trans	-80.7	-29.5	174.9	-71.6	-63.6	0	0	0	112.7	P824 F832 H836 L873 S876 N909	P824-Y878 WeakPolarHBondContact CD-O 3.47Å; F832-Y878 HydrophobicContact CB-CD1 4.04Å; F832-Y878 HydrophobicContact CB-CE1 3.9Å; H836-Y878 HydrophobicContact CB-CD2 4.04Å; H836-Y878 HydrophobicContact CB-CE1 4.43Å; H836-Y878 HydrophobicContact CB-CE2 3.71Å; H836-Y878 AromaticContact CD2-CD2 3.62Å; H836-Y878 AromaticContact CD2-CE2 3.3Å; H836-Y878 WeakPolarHBondContact CD2-CE2 3.4Å; H836-Y878 AromaticContact CG-CD2 3.89Å; H836-Y878 AromaticContact CG-CE2 3.32Å; H836-Y878 AromaticContact CG-CZ 3.85Å; H836-Y878 AromaticContact ND1-CE2 3.83Å; H836-Y878 AromaticContact NE2-CE2 3.78Å; L873-Y878 HydrophobicContact CD2-CD2 4.09Å; L873-Y878 HydrophobicContact CD2-CG 4.42Å; L873-Y878 PolarHBondContact O-N 2.8Å; S876-Y878 PolarHBondContact O-N 3.19Å; Y878-N909 HydrophobicContact CD1-CB 4.21Å; Y878-N909 HydrophobicContact CE1-CB 4.34Å; Y878-N909 VanDerWaalsContact CE1-CG 3.43Å; Y878-N909 WeakPolarHBondContact CE1-ND2 3.16Å
879	C	94.5	Very high	91.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-132.5	174.8	-174.7	-65.1	0	0	0	0	111.5	V821 K822 L873 L874	V821-C879 HydrophobicContact CG1-CB 3.5Å; K822-C879 WeakPolarHBondContact O-CB 3.36Å; L873-C879 HydrophobicContact CB-CB 4.49Å; L874-C879 HydrophobicContact CD2-CB 4.07Å
880	N	92	Very high	90.5	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	160.3	173.1	-61	98.9	0	0	0	111.9	K822 L874 S882 E900 W911 F916	K822-N880 HydrophobicContact CD-CB 4.15Å; K822-N880 HydrophobicContact CG-CB 3.69Å; K822-N880 WeakPolarHBondContact CG-O 3.38Å; K822-N880 PolarHBondContact N-O 2.83Å; K822-N880 PolarHBondContact O-N 2.9Å; L874-N880 WeakPolarHBondContact CD2-O 3.32Å; N880-S882 PolarHBondContact O-N 2.91Å; N880-E900 WeakPolarHBondContact CA-OE1 3.38Å; N880-E900 WeakPolarHBondContact CB-OE1 3.02Å; N880-E900 PolarHBondContact ND2-OE1 2.94Å; N880-W911 VanDerWaalsContact ND2-CH2 3.27Å; N880-W911 WeakPolarHBondContact ND2-CH2 3.36Å; N880-W911 WeakPolarHBondContact ND2-CZ2 3.37Å; N880-F916 VanDerWaalsContact OD1-CZ 3.28Å; N880-F916 WeakPolarHBondContact OD1-CZ 3.33Å
881	V	93.8	Very high	90.1	Very high	12 Å²	12	58.4 Å²	58.4	7%	0.073	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	127.4	171.1	-175.4	0	0	0	0	109.1	L820 K822 L874 Y896 Q897 E900	L820-V881 CarbonylContact O-C 3.54Å; L820-V881 WeakPolarHBondContact O-CA 3.31Å; K822-V881 VanDerWaalsContact CE-O 3.26Å; K822-V881 WeakPolarHBondContact CE-O 3.33Å; K822-V881 PolarHBondContact NZ-O 2.71Å; L874-V881 HydrophobicContact CD1-CG2 3.93Å; L874-V881 HydrophobicContact CD2-CG2 4.01Å; V881-Y896 WeakPolarHBondContact CG2-O 3.45Å; V881-Q897 HydrophobicContact CG1-CG 4.22Å; V881-Q897 HydrophobicContact CG2-CG 4.32Å; V881-E900 HydrophobicContact CG2-CB 3.9Å; V881-E900 WeakPolarHBondContact CG2-OE2 3.12Å; V881-E900 PolarHBondContact N-OE1 3.06Å
882	S	91.1	Very high	89.9	Confident	39 Å²	39	55.7 Å²	55.7	27%	0.273	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-80.4	123.6	168.6	-166.5	0	0	0	0	109	L820 N880 R884	L820-S882 PolarHBondContact O-N 3.31Å; N880-S882 PolarHBondContact O-N 2.91Å; S882-R884 PolarHBondContact O-N 3.47Å
883	P	83	Confident	89.7	Confident	107 Å²	107	54.4 Å²	54.4	70%	0.695	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-67.5	133.4	-179.7	28.1	-33.1	0	0	0	110.3
884	R	84.1	Confident	89.4	Confident	87 Å²	87	57.7 Å²	57.7	33%	0.328	27%	0.272	S	S	.	.			trans	-142.1	148.1	171.3	-164.8	171	-176.8	97.4	2.7	109.2	L820 Y852 S882 D886 I893	L820-R884 HydrophobicContact CD2-CB 3.57Å; L820-R884 HydrophobicContact CD2-CG 4.4Å; Y852-R884 VanDerWaalsContact CG-CZ 3.49Å; S882-R884 PolarHBondContact O-N 3.47Å; R884-D886 HydrophobicContact CG-CB 4.19Å; R884-I893 HydrophobicContact CB-CD1 4.45Å; R884-I893 WeakPolarHBondContact O-CD1 3.36Å
885	R	79.7	Confident	89.2	Confident	249 Å²	249	61.2 Å²	61.2	94%	0.94	29%	0.288	S	S	*	.			trans	-107.9	34.1	-179.8	-64.8	-175	178.5	-179.2	0.4	112.4
886	D	81.1	Confident	89.3	Confident	41 Å²	41	55.1 Å²	55.1	22%	0.219	27%	0.265	C	S	.	.			trans	-88.2	113.5	175.1	-177.3	-13.9	0	0	0	109.4	R884 R888 L889 Q890	R884-D886 HydrophobicContact CG-CB 4.19Å; D886-R888 VanDerWaalsContact C-N 3.32Å; D886-R888 PolarHBondContact O-N 3.21Å; D886-R888 VanDerWaalsContact OD1-CB 3.3Å; D886-R888 WeakPolarHBondContact OD1-CB 3.29Å; D886-R888 PolarHBondContact OD1-N 3.45Å; D886-R888 IonicContact OD2-CZ 3.45Å; D886-R888 IonicContact OD2-NE 2.66Å; D886-R888 IonicContact OD2-NH2 3.45Å; D886-R888 PolarHBondContact OD2-NH2 3.48Å; D886-L889 HydrophobicContact CB-CB 4.32Å; D886-L889 HydrophobicContact CB-CD1 4.1Å; D886-L889 HydrophobicContact CB-CG 4.21Å; D886-L889 PolarHBondContact O-N 2.83Å; D886-L889 VanDerWaalsContact O-N 3.16Å; D886-Q890 PolarHBondContact O-N 2.88Å
887	R	78.8	Confident	89.2	Confident	151 Å²	151	57.6 Å²	57.6	57%	0.57	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-63.6	-32.6	-178.2	-80.5	-178	124.9	-177.5	-1.1	113.3	L696 L889 Q890	L696-R887 HydrophobicContact CD2-CB 3.75Å; L696-R887 HydrophobicContact CD2-CG 4.2Å; R887-L889 PolarHBondContact O-N 3.39Å; R887-Q890 VanDerWaalsContact O-CB 3.27Å; R887-Q890 WeakPolarHBondContact O-CB 3.39Å; R887-Q890 PolarHBondContact O-N 2.82Å
888	R	85.1	Confident	89.2	Confident	69 Å²	69	62.8 Å²	62.8	26%	0.26	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-63	-31.7	176.2	-179.3	-178	55.4	82.4	15	111.2	P697 R699 E851 D886	P697-R888 HydrophobicContact CG-CB 4.33Å; R699-R888 HydrophobicContact CB-CG 4.34Å; E851-R888 PolarHBondContact O-NH1 2.92Å; E851-R888 PolarHBondContact O-NH2 3.49Å; E851-R888 IonicContact OE2-NH1 3.94Å; D886-R888 VanDerWaalsContact C-N 3.32Å; D886-R888 PolarHBondContact O-N 3.21Å; D886-R888 VanDerWaalsContact OD1-CB 3.3Å; D886-R888 WeakPolarHBondContact OD1-CB 3.29Å; D886-R888 PolarHBondContact OD1-N 3.45Å; D886-R888 IonicContact OD2-CZ 3.45Å; D886-R888 IonicContact OD2-NE 2.66Å; D886-R888 IonicContact OD2-NH2 3.45Å; D886-R888 PolarHBondContact OD2-NH2 3.48Å
889	L	89.1	Confident	89.3	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-90.9	2.3	-179.7	-59.2	-179.9	0	0	0	113.6	E851 Y852 D886 R887 S891 L892 I893	E851-L889 HydrophobicContact CB-CD1 4.32Å; E851-L889 HydrophobicContact CB-CD2 4.25Å; E851-L889 VanDerWaalsContact OE2-CD2 3.23Å; E851-L889 WeakPolarHBondContact OE2-CD2 3.43Å; Y852-L889 HydrophobicContact CD1-CD1 3.73Å; Y852-L889 HydrophobicContact CE1-CD1 4.1Å; D886-L889 HydrophobicContact CB-CB 4.32Å; D886-L889 HydrophobicContact CB-CD1 4.1Å; D886-L889 HydrophobicContact CB-CG 4.21Å; D886-L889 PolarHBondContact O-N 2.83Å; D886-L889 VanDerWaalsContact O-N 3.16Å; R887-L889 PolarHBondContact O-N 3.39Å; L889-S891 VanDerWaalsContact C-N 3.26Å; L889-S891 PolarHBondContact O-N 3.23Å; L889-L892 HydrophobicContact CD2-CD2 4.43Å; L889-L892 WeakPolarHBondContact O-CB 3.45Å; L889-L892 PolarHBondContact O-N 3.46Å; L889-I893 HydrophobicContact CB-CD1 4.15Å; L889-I893 HydrophobicContact CB-CG1 4.34Å; L889-I893 WeakPolarHBondContact O-CG1 3.39Å; L889-I893 PolarHBondContact O-N 3.43Å
890	Q	85.9	Confident	89.3	Confident	90 Å²	90	62 Å²	62	42%	0.421	30%	0.296	S	S	.	.	H	α-helix	trans	-57.4	-37.4	-172.7	-173	60.7	45.8	0	0	113.2	D886 R887 T894	D886-Q890 PolarHBondContact O-N 2.88Å; R887-Q890 VanDerWaalsContact O-CB 3.27Å; R887-Q890 WeakPolarHBondContact O-CB 3.39Å; R887-Q890 PolarHBondContact O-N 2.82Å; Q890-T894 WeakPolarHBondContact O-CB 3.45Å; Q890-T894 PolarHBondContact O-N 2.99Å; Q890-T894 PolarHBondContact O-OG1 3.1Å
891	S	87.3	Confident	89.2	Confident	80 Å²	80	67.4 Å²	67.4	56%	0.559	32%	0.322	S	S	*	.	H	α-helix	trans	-62.6	-48.7	174.6	-167.4	0	0	0	0	111.2	L889 I893 T894 E895	L889-S891 VanDerWaalsContact C-N 3.26Å; L889-S891 PolarHBondContact O-N 3.23Å; S891-I893 PolarHBondContact O-N 3.27Å; S891-T894 WeakPolarHBondContact O-CB 3.42Å; S891-T894 PolarHBondContact O-N 3.43Å; S891-E895 PolarHBondContact O-N 3.14Å
892	L	92.3	Very high	89.1	Confident	5 Å²	5	69.2 Å²	69.2	3%	0.026	33%	0.33	C	S	.	.	H	α-helix	trans	-63.1	-44.1	179.5	-173.1	66.1	0	0	0	111.8	L820 E851 L889 T894 E895 Y896	L820-L892 HydrophobicContact CD1-CB 4.44Å; L820-L892 HydrophobicContact CD1-CD2 3.92Å; L820-L892 HydrophobicContact CD1-CG 4.03Å; E851-L892 HydrophobicContact CG-CD2 4.35Å; L889-L892 HydrophobicContact CD2-CD2 4.43Å; L889-L892 WeakPolarHBondContact O-CB 3.45Å; L889-L892 PolarHBondContact O-N 3.46Å; L892-T894 VanDerWaalsContact C-N 3.28Å; L892-T894 PolarHBondContact O-N 2.57Å; L892-E895 PolarHBondContact O-N 3.45Å; L892-Y896 HydrophobicContact CD1-CD1 3.99Å; L892-Y896 HydrophobicContact CD1-CE1 3.45Å; L892-Y896 VanDerWaalsContact CD1-CE1 3.45Å; L892-Y896 HydrophobicContact CG-CD1 4.25Å; L892-Y896 HydrophobicContact CG-CE1 3.97Å; L892-Y896 WeakPolarHBondContact O-CB 3.18Å; L892-Y896 WeakPolarHBondContact O-CD1 3.49Å; L892-Y896 PolarHBondContact O-N 3.28Å
893	I	91.8	Very high	89.2	Confident	6 Å²	6	67.4 Å²	67.4	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-57.2	-44.2	174.9	-67.8	166.3	0	0	0	110.4	L820 R884 L889 S891 Y896 Q897	L820-I893 HydrophobicContact CD1-CB 4.49Å; L820-I893 HydrophobicContact CD1-CG1 3.51Å; L820-I893 HydrophobicContact CD2-CD1 4.38Å; L820-I893 HydrophobicContact CD2-CG1 3.99Å; L820-I893 HydrophobicContact CG-CG1 4.36Å; R884-I893 HydrophobicContact CB-CD1 4.45Å; R884-I893 WeakPolarHBondContact O-CD1 3.36Å; L889-I893 HydrophobicContact CB-CD1 4.15Å; L889-I893 HydrophobicContact CB-CG1 4.34Å; L889-I893 WeakPolarHBondContact O-CG1 3.39Å; L889-I893 PolarHBondContact O-N 3.43Å; S891-I893 PolarHBondContact O-N 3.27Å; I893-Y896 PolarHBondContact O-N 2.81Å; I893-Q897 HydrophobicContact CG2-CG 4.28Å; I893-Q897 WeakPolarHBondContact O-CB 3.17Å; I893-Q897 VanDerWaalsContact O-CG 3.25Å; I893-Q897 WeakPolarHBondContact O-CG 3.23Å; I893-Q897 PolarHBondContact O-N 2.57Å
894	T	90.9	Very high	89.5	Confident	69 Å²	69	65.2 Å²	65.2	42%	0.423	30%	0.297	S	S	.	.	H	α-helix	trans	-63.6	-43.3	179.8	-55.1	0	0	0	0	111	Q890 S891 L892 Y896 Q897 Q898	Q890-T894 WeakPolarHBondContact O-CB 3.45Å; Q890-T894 PolarHBondContact O-N 2.99Å; Q890-T894 PolarHBondContact O-OG1 3.1Å; S891-T894 WeakPolarHBondContact O-CB 3.42Å; S891-T894 PolarHBondContact O-N 3.43Å; L892-T894 VanDerWaalsContact C-N 3.28Å; L892-T894 PolarHBondContact O-N 2.57Å; T894-Y896 VanDerWaalsContact C-N 3.35Å; T894-Y896 PolarHBondContact O-N 3.37Å; T894-Q897 PolarHBondContact O-N 2.85Å; T894-Q898 WeakPolarHBondContact O-CB 3.5Å; T894-Q898 PolarHBondContact O-N 3.31Å
895	E	93.5	Very high	89.8	Confident	74 Å²	74	70 Å²	70	35%	0.346	32%	0.32	S	S	.	.	H	α-helix	trans	-63.2	-39.2	175.5	-71.9	-177.7	-133.4	0	0	113.1	K871 S891 L892 Q898 A899	K871-E895 IonicContact NZ-OE2 2.82Å; K871-E895 PolarHBondContact NZ-OE2 3.1Å; S891-E895 PolarHBondContact O-N 3.14Å; L892-E895 PolarHBondContact O-N 3.45Å; E895-Q898 PolarHBondContact O-N 2.82Å; E895-A899 PolarHBondContact O-N 2.96Å
896	Y	97.8	Very high	90.4	Very high	1 Å²	1	64.2 Å²	64.2	0%	0.004	30%	0.304	C	S	.	.	H	α-helix	trans	-70.6	-40.4	179.2	-83.6	30.9	0	0	0	111.2	A819 L820 V821 D868 K871 L874 V881 L892 I893 T894 Q898 A899 E900	A819-Y896 WeakPolarHBondContact O-CE2 3.46Å; L820-Y896 HydrophobicContact CB-CD2 3.81Å; L820-Y896 HydrophobicContact CB-CE2 4.08Å; L820-Y896 HydrophobicContact CD1-CD2 4.39Å; V821-Y896 HydrophobicContact CG2-CE2 4.08Å; D868-Y896 PolarHBondContact OD1-OH 3.29Å; D868-Y896 WeakPolarHBondContact OD2-CE1 3.38Å; D868-Y896 PolarHBondContact OD2-OH 2.82Å; K871-Y896 HydrophobicContact CB-CD1 4.12Å; K871-Y896 HydrophobicContact CB-CE1 3.72Å; K871-Y896 HydrophobicContact CD-CE1 4.46Å; K871-Y896 HydrophobicContact CG-CD1 4.19Å; K871-Y896 HydrophobicContact CG-CE1 4.23Å; L874-Y896 HydrophobicContact CD1-CD1 4.39Å; L874-Y896 HydrophobicContact CD1-CD2 3.31Å; L874-Y896 HydrophobicContact CD1-CE2 4.03Å; L874-Y896 HydrophobicContact CD1-CG 3.52Å; V881-Y896 WeakPolarHBondContact CG2-O 3.45Å; L892-Y896 HydrophobicContact CD1-CD1 3.99Å; L892-Y896 HydrophobicContact CD1-CE1 3.45Å; L892-Y896 VanDerWaalsContact CD1-CE1 3.45Å; L892-Y896 HydrophobicContact CG-CD1 4.25Å; L892-Y896 HydrophobicContact CG-CE1 3.97Å; L892-Y896 WeakPolarHBondContact O-CB 3.18Å; L892-Y896 WeakPolarHBondContact O-CD1 3.49Å; L892-Y896 PolarHBondContact O-N 3.28Å; I893-Y896 PolarHBondContact O-N 2.81Å; T894-Y896 VanDerWaalsContact C-N 3.35Å; T894-Y896 PolarHBondContact O-N 3.37Å; Y896-Q898 VanDerWaalsContact C-N 3.31Å; Y896-Q898 PolarHBondContact O-N 2.94Å; Y896-A899 PolarHBondContact O-N 2.9Å; Y896-E900 PolarHBondContact O-N 3Å
897	Q	93.9	Very high	90.8	Very high	85 Å²	85	70 Å²	70	40%	0.397	32%	0.323	S	S	.	.	H	α-helix	trans	-63.5	-37.9	173.5	-74.8	174.3	-10.5	0	0	111.7	V881 I893 T894 E900 M901	V881-Q897 HydrophobicContact CG1-CG 4.22Å; V881-Q897 HydrophobicContact CG2-CG 4.32Å; I893-Q897 HydrophobicContact CG2-CG 4.28Å; I893-Q897 WeakPolarHBondContact O-CB 3.17Å; I893-Q897 VanDerWaalsContact O-CG 3.25Å; I893-Q897 WeakPolarHBondContact O-CG 3.23Å; I893-Q897 PolarHBondContact O-N 2.57Å; T894-Q897 PolarHBondContact O-N 2.85Å; Q897-E900 PolarHBondContact O-N 2.88Å; Q897-M901 WeakPolarHBondContact O-CB 3.35Å; Q897-M901 WeakPolarHBondContact O-CG 3.12Å; Q897-M901 PolarHBondContact O-N 3.32Å
898	Q	94.2	Very high	91.4	Very high	109 Å²	109	65.6 Å²	65.6	51%	0.509	31%	0.31	S	S	.	.	H	α-helix	trans	-64.5	-44.2	174.1	-174	173.8	0.5	0	0	111.6	T894 E895 Y896 M901 E902	T894-Q898 WeakPolarHBondContact O-CB 3.5Å; T894-Q898 PolarHBondContact O-N 3.31Å; E895-Q898 PolarHBondContact O-N 2.82Å; Y896-Q898 VanDerWaalsContact C-N 3.31Å; Y896-Q898 PolarHBondContact O-N 2.94Å; Q898-M901 PolarHBondContact O-N 3.25Å; Q898-E902 WeakPolarHBondContact O-CG 3.4Å; Q898-E902 PolarHBondContact O-N 3.15Å
899	A	95.9	Very high	91.7	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.008	31%	0.309	C	S	.	.	H	α-helix	trans	-60.5	-44.5	175.1	0	0	0	0	0	112.3	K871 L874 R875 E895 Y896 M901 E902 A903	K871-A899 HydrophobicContact CG-CB 3.91Å; L874-A899 HydrophobicContact CB-CB 4.19Å; R875-A899 WeakPolarHBondContact CA-O 3.39Å; R875-A899 HydrophobicContact CB-CB 4.03Å; E895-A899 PolarHBondContact O-N 2.96Å; Y896-A899 PolarHBondContact O-N 2.9Å; A899-M901 PolarHBondContact O-N 3.08Å; A899-E902 PolarHBondContact O-N 3.44Å; A899-A903 PolarHBondContact O-N 3.06Å; A899-A903 VanDerWaalsContact O-N 3.1Å
900	E	93.6	Very high	91.7	Very high	24 Å²	24	64.9 Å²	64.9	11%	0.112	31%	0.311	C	S	.	.	H	α-helix	trans	-62.8	-41.1	174.6	-179.1	179.3	-137.3	0	0	111.8	N880 V881 Y896 Q897 E902 A903 K904 W911	N880-E900 WeakPolarHBondContact CA-OE1 3.38Å; N880-E900 WeakPolarHBondContact CB-OE1 3.02Å; N880-E900 PolarHBondContact ND2-OE1 2.94Å; V881-E900 HydrophobicContact CG2-CB 3.9Å; V881-E900 WeakPolarHBondContact CG2-OE2 3.12Å; V881-E900 PolarHBondContact N-OE1 3.06Å; Y896-E900 PolarHBondContact O-N 3Å; Q897-E900 PolarHBondContact O-N 2.88Å; E900-E902 PolarHBondContact O-N 3.43Å; E900-A903 WeakPolarHBondContact O-CB 3.38Å; E900-A903 PolarHBondContact O-N 3.03Å; E900-K904 WeakPolarHBondContact O-CG 3.49Å; E900-K904 PolarHBondContact O-N 3.3Å; E900-W911 HydrophobicContact CG-CZ2 3.83Å
901	M	90.3	Very high	91.8	Very high	117 Å²	117	60.7 Å²	60.7	58%	0.576	29%	0.292	S	S	*	.	H	α-helix	trans	-64.1	-37	176.2	-85.7	-169.7	-82.5	0	0	113.1	Q897 Q898 A899 K904 K905	Q897-M901 WeakPolarHBondContact O-CB 3.35Å; Q897-M901 WeakPolarHBondContact O-CG 3.12Å; Q897-M901 PolarHBondContact O-N 3.32Å; Q898-M901 PolarHBondContact O-N 3.25Å; A899-M901 PolarHBondContact O-N 3.08Å; M901-K904 PolarHBondContact O-N 2.96Å; M901-K905 WeakPolarHBondContact O-CB 3.28Å; M901-K905 PolarHBondContact O-N 2.89Å
902	E	92.8	Very high	91.8	Very high	50 Å²	50	60.9 Å²	60.9	23%	0.234	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-46.7	173	-71.8	170.1	166.1	0	0	110.8	R875 Q898 A899 E900 K904 K905 E906	R875-E902 IonicContact CZ-OE1 3.5Å; R875-E902 IonicContact CZ-OE2 2.74Å; R875-E902 IonicContact NE-OE2 2.99Å; R875-E902 PolarHBondContact NE-OE2 3.28Å; R875-E902 IonicContact NH1-OE1 3.34Å; R875-E902 PolarHBondContact NH1-OE1 3.37Å; R875-E902 IonicContact NH1-OE2 3.93Å; R875-E902 PolarHBondContact NH1-OE2 2.85Å; R875-E902 IonicContact NH2-OE1 3.6Å; R875-E902 IonicContact NH2-OE2 2.81Å; Q898-E902 WeakPolarHBondContact O-CG 3.4Å; Q898-E902 PolarHBondContact O-N 3.15Å; A899-E902 PolarHBondContact O-N 3.44Å; E900-E902 PolarHBondContact O-N 3.43Å; E902-K904 VanDerWaalsContact C-N 3.33Å; E902-K904 PolarHBondContact O-N 3.33Å; E902-K905 PolarHBondContact O-N 3.48Å; E902-K905 VanDerWaalsContact O-N 3.15Å; E902-E906 WeakPolarHBondContact O-CB 3.48Å; E902-E906 PolarHBondContact O-N 2.91Å
903	A	93.3	Very high	91.5	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.3	-40.7	175.6	0	0	0	0	0	112.7	L874 R875 A899 E900 R907 L908	L874-A903 VanDerWaalsContact O-CB 3.23Å; L874-A903 WeakPolarHBondContact O-CB 3.38Å; R875-A903 WeakPolarHBondContact O-CB 3.29Å; A899-A903 PolarHBondContact O-N 3.06Å; A899-A903 VanDerWaalsContact O-N 3.1Å; E900-A903 WeakPolarHBondContact O-CB 3.38Å; E900-A903 PolarHBondContact O-N 3.03Å; A903-R907 WeakPolarHBondContact O-CA 3.25Å; A903-R907 PolarHBondContact O-N 2.95Å; A903-L908 PolarHBondContact O-N 3.46Å
904	K	89	Confident	90.9	Very high	62 Å²	62	71.3 Å²	71.3	27%	0.27	33%	0.333	S	S	.	.	H	α-helix	trans	-59.5	-47.8	173	-75.1	-176	-174.3	-141.9	0	111.5	E900 M901 E902 R907 W911 D915	E900-K904 WeakPolarHBondContact O-CG 3.49Å; E900-K904 PolarHBondContact O-N 3.3Å; M901-K904 PolarHBondContact O-N 2.96Å; E902-K904 VanDerWaalsContact C-N 3.33Å; E902-K904 PolarHBondContact O-N 3.33Å; K904-R907 PolarHBondContact O-N 3.31Å; K904-W911 HydrophobicContact CB-CD2 4.38Å; K904-W911 HydrophobicContact CB-CG 4.47Å; K904-W911 HydrophobicContact CD-CE3 4.45Å; K904-W911 HydrophobicContact CD-CH2 4.15Å; K904-W911 HydrophobicContact CD-CZ2 4.22Å; K904-W911 HydrophobicContact CD-CZ3 4.24Å; K904-W911 VanDerWaalsContact CE-CZ2 3.46Å; K904-W911 HydrophobicContact CG-CD2 3.5Å; K904-W911 VanDerWaalsContact CG-CD2 3.5Å; K904-W911 VanDerWaalsContact CG-CE2 3.47Å; K904-W911 HydrophobicContact CG-CE3 3.75Å; K904-W911 HydrophobicContact CG-CG 4.02Å; K904-W911 HydrophobicContact CG-CH2 4Å; K904-W911 HydrophobicContact CG-CZ2 3.72Å; K904-W911 HydrophobicContact CG-CZ3 3.99Å; K904-D915 IonicContact NZ-OD2 3.26Å; K904-D915 PolarHBondContact NZ-OD2 3.33Å
905	K	89	Confident	90.1	Very high	187 Å²	187	70 Å²	70	81%	0.813	32%	0.323	S	S	*	.	H	α-helix	trans	-64.9	-40.2	-178.3	-176.3	-176.3	176.1	-172.7	0	111.8	M901 E902 R907	M901-K905 WeakPolarHBondContact O-CB 3.28Å; M901-K905 PolarHBondContact O-N 2.89Å; E902-K905 PolarHBondContact O-N 3.48Å; E902-K905 VanDerWaalsContact O-N 3.15Å; K905-R907 VanDerWaalsContact C-N 3.29Å
906	E	92.6	Very high	89.2	Confident	128 Å²	128	70 Å²	70	60%	0.598	32%	0.322	S	S	*	.	H	α-helix	trans	-84.2	-4.6	179	-66.9	-176.8	-176.7	0	0	113.2	E902 L908	E902-E906 WeakPolarHBondContact O-CB 3.48Å; E902-E906 PolarHBondContact O-N 2.91Å; E906-L908 VanDerWaalsContact C-N 3.34Å; E906-L908 HydrophobicContact CB-CD1 4.16Å; E906-L908 HydrophobicContact CB-CD2 4.24Å; E906-L908 HydrophobicContact CB-CG 3.82Å; E906-L908 PolarHBondContact O-N 3.2Å
907	R	89.6	Confident	87.9	Confident	163 Å²	163	72.6 Å²	72.6	62%	0.615	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	44.8	180	-59.3	-172.1	174.9	-149.4	-1.8	113	A903 K904 K905 Q912	A903-R907 WeakPolarHBondContact O-CA 3.25Å; A903-R907 PolarHBondContact O-N 2.95Å; K904-R907 PolarHBondContact O-N 3.31Å; K905-R907 VanDerWaalsContact C-N 3.29Å; R907-Q912 VanDerWaalsContact O-CA 3.29Å; R907-Q912 WeakPolarHBondContact O-CA 3.31Å
908	L	91.3	Very high	86.1	Confident	57 Å²	57	70.5 Å²	70.5	30%	0.298	34%	0.339	S	S	.	.			trans	-82.3	137.1	-178.7	-57.8	178.2	0	0	0	111.4	R875 S876 A903 E906 V910 W911	R875-L908 WeakPolarHBondContact O-CD1 3.43Å; S876-L908 WeakPolarHBondContact O-CB 3.49Å; A903-L908 PolarHBondContact O-N 3.46Å; E906-L908 VanDerWaalsContact C-N 3.34Å; E906-L908 HydrophobicContact CB-CD1 4.16Å; E906-L908 HydrophobicContact CB-CD2 4.24Å; E906-L908 HydrophobicContact CB-CG 3.82Å; E906-L908 PolarHBondContact O-N 3.2Å; L908-V910 PolarHBondContact O-N 2.97Å; L908-W911 WeakPolarHBondContact O-CB 3.36Å; L908-W911 PolarHBondContact O-N 2.93Å
909	N	91.9	Very high	84.1	Confident	45 Å²	45	70 Å²	70	24%	0.241	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	47.3	-106	172.6	-72.9	-55.7	0	0	0	114	Y829 S876 G877 Y878 W911 Q912	Y829-N909 VanDerWaalsContact CE1-O 3.3Å; Y829-N909 WeakPolarHBondContact CE1-O 3.38Å; Y829-N909 PolarHBondContact OH-O 3.49Å; S876-N909 PolarHBondContact O-ND2 2.9Å; G877-N909 WeakPolarHBondContact O-CB 3.3Å; Y878-N909 HydrophobicContact CD1-CB 4.21Å; Y878-N909 HydrophobicContact CE1-CB 4.34Å; Y878-N909 VanDerWaalsContact CE1-CG 3.43Å; Y878-N909 WeakPolarHBondContact CE1-ND2 3.16Å; N909-W911 PolarHBondContact O-N 3.42Å; N909-Q912 WeakPolarHBondContact O-CB 3.49Å; N909-Q912 VanDerWaalsContact O-CG 3.29Å; N909-Q912 WeakPolarHBondContact O-CG 3.45Å; N909-Q912 PolarHBondContact O-N 3.4Å
910	V	89.6	Confident	81.7	Confident	9 Å²	9	76.5 Å²	76.5	6%	0.055	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-61.1	-21.5	-176.7	79.4	0	0	0	0	112.4	P824 Y829 G877 L908 F916	P824-V910 HydrophobicContact CB-CG2 3.81Å; P824-V910 HydrophobicContact CG-CG2 4.31Å; Y829-V910 HydrophobicContact CD1-CB 4.23Å; Y829-V910 HydrophobicContact CD1-CG2 4.46Å; Y829-V910 HydrophobicContact CD2-CG2 4.28Å; Y829-V910 HydrophobicContact CE1-CB 4.45Å; Y829-V910 HydrophobicContact CG-CB 4.43Å; Y829-V910 HydrophobicContact CG-CG2 4.19Å; G877-V910 WeakPolarHBondContact O-CB 3.45Å; G877-V910 WeakPolarHBondContact O-CG1 3.28Å; G877-V910 PolarHBondContact O-N 3.25Å; L908-V910 PolarHBondContact O-N 2.97Å; V910-F916 HydrophobicContact CB-CD1 4.48Å; V910-F916 HydrophobicContact CB-CE1 3.96Å; V910-F916 HydrophobicContact CB-CZ 4.45Å; V910-F916 HydrophobicContact CG1-CD1 4.3Å; V910-F916 HydrophobicContact CG1-CE1 3.5Å; V910-F916 HydrophobicContact CG1-CZ 4.13Å; V910-F916 HydrophobicContact CG2-CD1 3.64Å; V910-F916 HydrophobicContact CG2-CE1 3.25Å; V910-F916 HydrophobicContact CG2-CE2 4.16Å; V910-F916 HydrophobicContact CG2-CG 4.27Å; V910-F916 HydrophobicContact CG2-CZ 3.49Å; V910-F916 VanDerWaalsContact CG2-CZ 3.49Å
911	W	87.7	Confident	78.9	Confident	2 Å²	2	85.9 Å²	85.9	1%	0.008	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-93.8	1.6	-179.5	-51.7	112.3	0	0	0	114.1	N880 E900 K904 L908 N909 Y913 G914 D915 F916 T917	N880-W911 VanDerWaalsContact ND2-CH2 3.27Å; N880-W911 WeakPolarHBondContact ND2-CH2 3.36Å; N880-W911 WeakPolarHBondContact ND2-CZ2 3.37Å; E900-W911 HydrophobicContact CG-CZ2 3.83Å; K904-W911 HydrophobicContact CB-CD2 4.38Å; K904-W911 HydrophobicContact CB-CG 4.47Å; K904-W911 HydrophobicContact CD-CE3 4.45Å; K904-W911 HydrophobicContact CD-CH2 4.15Å; K904-W911 HydrophobicContact CD-CZ2 4.22Å; K904-W911 HydrophobicContact CD-CZ3 4.24Å; K904-W911 VanDerWaalsContact CE-CZ2 3.46Å; K904-W911 HydrophobicContact CG-CD2 3.5Å; K904-W911 VanDerWaalsContact CG-CD2 3.5Å; K904-W911 VanDerWaalsContact CG-CE2 3.47Å; K904-W911 HydrophobicContact CG-CE3 3.75Å; K904-W911 HydrophobicContact CG-CG 4.02Å; K904-W911 HydrophobicContact CG-CH2 4Å; K904-W911 HydrophobicContact CG-CZ2 3.72Å; K904-W911 HydrophobicContact CG-CZ3 3.99Å; L908-W911 WeakPolarHBondContact O-CB 3.36Å; L908-W911 PolarHBondContact O-N 2.93Å; N909-W911 PolarHBondContact O-N 3.42Å; W911-Y913 PolarHBondContact O-N 3.47Å; W911-Y913 VanDerWaalsContact O-N 3.1Å; W911-G914 PolarHBondContact O-N 3.24Å; W911-D915 HydrophobicContact CZ3-CB 4.23Å; W911-F916 HydrophobicContact CD2-CE1 4.26Å; W911-F916 AromaticContact CE3-CD1 3.88Å; W911-F916 HydrophobicContact CE3-CD1 3.88Å; W911-F916 AromaticContact CE3-CE1 3.84Å; W911-F916 HydrophobicContact CE3-CE1 3.84Å; W911-F916 HydrophobicContact CH2-CD1 4.21Å; W911-F916 AromaticContact CH2-CE1 3.55Å; W911-F916 HydrophobicContact CH2-CE1 3.55Å; W911-F916 HydrophobicContact CH2-CZ 4.3Å; W911-F916 HydrophobicContact CZ2-CE1 4.03Å; W911-F916 AromaticContact CZ3-CD1 3.66Å; W911-F916 HydrophobicContact CZ3-CD1 3.66Å; W911-F916 AromaticContact CZ3-CE1 3.47Å; W911-F916 HydrophobicContact CZ3-CE1 3.47Å; W911-F916 VanDerWaalsContact CZ3-CE1 3.47Å; W911-T917 HydrophobicContact CH2-CG2 3.79Å; W911-T917 HydrophobicContact CZ3-CG2 4.17Å
912	Q	87.7	Confident	78.3	Confident	84 Å²	84	84.3 Å²	84.3	39%	0.393	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-28.3	-174.9	73.8	-175	4.7	0	0	113.4	Y829 R907 N909	Y829-Q912 VanDerWaalsContact OH-CD 3.31Å; Y829-Q912 WeakPolarHBondContact OH-CG 3.5Å; Y829-Q912 PolarHBondContact OH-NE2 3.35Å; R907-Q912 VanDerWaalsContact O-CA 3.29Å; R907-Q912 WeakPolarHBondContact O-CA 3.31Å; N909-Q912 WeakPolarHBondContact O-CB 3.49Å; N909-Q912 VanDerWaalsContact O-CG 3.29Å; N909-Q912 WeakPolarHBondContact O-CG 3.45Å; N909-Q912 PolarHBondContact O-N 3.4Å
913	Y	84.3	Confident	77.6	Confident	201 Å²	201	86.1 Å²	86.1	79%	0.788	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	10.7	177.9	-57.5	-56.4	0	0	0	113.9	W911	W911-Y913 PolarHBondContact O-N 3.47Å; W911-Y913 VanDerWaalsContact O-N 3.1Å
914	G	79	Confident	76.7	Confident	29 Å²	29	90.9 Å²	90.9	30%	0.299	45%	0.454	S	S	.	.	S	Bend	trans	100.1	-166.8	-176.7	0	0	0	0	0	113.7	W911 F916	W911-G914 PolarHBondContact O-N 3.24Å; G914-F916 PolarHBondContact O-N 2.92Å
915	D	75.5	Confident	76	Confident	41 Å²	41	92.6 Å²	92.6	22%	0.219	47%	0.465	C	S	.	.			trans	-78.8	109.9	-175.9	-162.4	-39.8	0	0	0	111.8	K904 W911 T917 T919 D920	K904-D915 IonicContact NZ-OD2 3.26Å; K904-D915 PolarHBondContact NZ-OD2 3.33Å; W911-D915 HydrophobicContact CZ3-CB 4.23Å; D915-T917 WeakPolarHBondContact OD1-CA 3.3Å; D915-T917 VanDerWaalsContact OD1-CB 3.3Å; D915-T917 WeakPolarHBondContact OD1-CB 3.49Å; D915-T917 PolarHBondContact OD1-N 2.94Å; D915-T917 PolarHBondContact OD1-OG1 3.03Å; D915-T919 PolarHBondContact OD2-OG1 3.28Å; D915-D920 HydrophobicContact CB-CB 4.46Å
916	F	73.9	Confident	75.2	Confident	76 Å²	76	86.7 Å²	86.7	33%	0.333	44%	0.443	S	S	.	.			trans	-88.6	-7.9	178.5	71.5	-80.1	0	0	0	113.4	P824 P825 N880 V910 W911 G914 G918	P824-F916 HydrophobicContact CB-CE2 4.24Å; P824-F916 HydrophobicContact CB-CZ 4.2Å; P825-F916 HydrophobicContact CG-CD2 4.36Å; P825-F916 HydrophobicContact CG-CE2 4.23Å; N880-F916 VanDerWaalsContact OD1-CZ 3.28Å; N880-F916 WeakPolarHBondContact OD1-CZ 3.33Å; V910-F916 HydrophobicContact CB-CD1 4.48Å; V910-F916 HydrophobicContact CB-CE1 3.96Å; V910-F916 HydrophobicContact CB-CZ 4.45Å; V910-F916 HydrophobicContact CG1-CD1 4.3Å; V910-F916 HydrophobicContact CG1-CE1 3.5Å; V910-F916 HydrophobicContact CG1-CZ 4.13Å; V910-F916 HydrophobicContact CG2-CD1 3.64Å; V910-F916 HydrophobicContact CG2-CE1 3.25Å; V910-F916 HydrophobicContact CG2-CE2 4.16Å; V910-F916 HydrophobicContact CG2-CG 4.27Å; V910-F916 HydrophobicContact CG2-CZ 3.49Å; V910-F916 VanDerWaalsContact CG2-CZ 3.49Å; W911-F916 HydrophobicContact CD2-CE1 4.26Å; W911-F916 AromaticContact CE3-CD1 3.88Å; W911-F916 HydrophobicContact CE3-CD1 3.88Å; W911-F916 AromaticContact CE3-CE1 3.84Å; W911-F916 HydrophobicContact CE3-CE1 3.84Å; W911-F916 HydrophobicContact CH2-CD1 4.21Å; W911-F916 AromaticContact CH2-CE1 3.55Å; W911-F916 HydrophobicContact CH2-CE1 3.55Å; W911-F916 HydrophobicContact CH2-CZ 4.3Å; W911-F916 HydrophobicContact CZ2-CE1 4.03Å; W911-F916 AromaticContact CZ3-CD1 3.66Å; W911-F916 HydrophobicContact CZ3-CD1 3.66Å; W911-F916 AromaticContact CZ3-CE1 3.47Å; W911-F916 HydrophobicContact CZ3-CE1 3.47Å; W911-F916 VanDerWaalsContact CZ3-CE1 3.47Å; G914-F916 PolarHBondContact O-N 2.92Å; F916-G918 PolarHBondContact O-N 3.06Å
917	T	70	Confident	74	Confident	55 Å²	55	83.9 Å²	83.9	34%	0.337	43%	0.433	S	S	.	.	S	Bend	trans	-75.7	-9.5	-177.8	69.3	0	0	0	0	112.8	W911 D915 T919	W911-T917 HydrophobicContact CH2-CG2 3.79Å; W911-T917 HydrophobicContact CZ3-CG2 4.17Å; D915-T917 WeakPolarHBondContact OD1-CA 3.3Å; D915-T917 VanDerWaalsContact OD1-CB 3.3Å; D915-T917 WeakPolarHBondContact OD1-CB 3.49Å; D915-T917 PolarHBondContact OD1-N 2.94Å; D915-T917 PolarHBondContact OD1-OG1 3.03Å; T917-T919 VanDerWaalsContact C-N 3.28Å; T917-T919 PolarHBondContact O-N 2.82Å; T917-T919 PolarHBondContact OG1-OG1 3.45Å
918	G	56.4	Low	72.9	Confident	40 Å²	40	78.3 Å²	78.3	41%	0.412	42%	0.42	S	S	.	.	S	Bend	trans	74.4	16.5	179.6	0	0	0	0	0	113.6	F916	F916-G918 PolarHBondContact O-N 3.06Å
919	T	52	Low	71.5	Confident	100 Å²	100	79.9 Å²	79.9	61%	0.613	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-12.6	176.4	50.1	0	0	0	0	113.7	D915 T917	D915-T919 PolarHBondContact OD2-OG1 3.28Å; T917-T919 VanDerWaalsContact C-N 3.28Å; T917-T919 PolarHBondContact O-N 2.82Å; T917-T919 PolarHBondContact OG1-OG1 3.45Å
920	D	47.4	Very low	69.8	Low	137 Å²	137	82.8 Å²	82.8	73%	0.733	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	2.4	173.2	-82	-13	0	0	0	114	D915	D915-D920 HydrophobicContact CB-CB 4.46Å
921	L	33.8	Very low	68	Low	220 Å²	220	89.5 Å²	89.5	100%	1.152	48%	0.481	S	S	*	.			trans	-109.4	0	172.3	-78	170	0	0	0	110.5

Retrieved 921 of 921 residues in 1669.5 ms (Link to these results)

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