A0A077ZNW5_TRITR Loading...

Venom allergen 5

AlphaFold DB , UniProt , Accession A0A077ZNW5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 352 aa.

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(Predicted Aligned Error values between residue pairs)

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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	29.8	Very low	29.2	Very low	235 Å²	235	157.8 Å²	157.8	100%	1.158	76%	0.755	S	S	*	*				0	128.2	0	-118.2	176.9	179.2	0	0	108.5
2	R	29.6	Very low	30.3	Very low	221 Å²	221	152.3 Å²	152.3	83%	0.834	73%	0.732	S	S	*	*			trans	71.9	77.7	167.1	-57.8	-172.2	177.2	-177.4	-0.9	116.3
3	I	29.4	Very low	31.3	Very low	134 Å²	134	145.8 Å²	145.8	69%	0.687	70%	0.703	S	S	*	*				92	104.8	88.3	-72.9	157.3	0	0	0	110.7	W5	I3-W5 PolarHBondContact O-N 3.22Å
4	L	26	Very low	32	Very low	140 Å²	140	144.1 Å²	144.1	73%	0.733	70%	0.698	S	S	*	*			trans	-38.3	115.9	155.7	-92.1	70.2	0	0	0	110.2	Q6	L4-Q6 VanDerWaalsContact C-N 3.29Å; L4-Q6 HydrophobicContact CD2-CG 4.39Å; L4-Q6 PolarHBondContact O-N 3.24Å
5	W	28.7	Very low	32.7	Very low	243 Å²	243	140 Å²	140	92%	0.92	68%	0.68	S	S	*	*			trans	-91.8	79.2	152.7	-86.1	58	0	0	0	107.4	I3	I3-W5 PolarHBondContact O-N 3.22Å
6	Q	24.6	Very low	33.2	Very low	146 Å²	146	134.1 Å²	134.1	68%	0.682	66%	0.661	S	S	*	*			trans	-63.3	144.5	153	-106.5	-177.9	-15.2	0	0	108.3	L4	L4-Q6 VanDerWaalsContact C-N 3.29Å; L4-Q6 HydrophobicContact CD2-CG 4.39Å; L4-Q6 PolarHBondContact O-N 3.24Å
7	L	26.7	Very low	33.4	Very low	148 Å²	148	133.6 Å²	133.6	78%	0.775	67%	0.671	S	S	*	*			trans	97.5	110.2	149.2	-68.1	163.3	0	0	0	120.3
8	V	27.1	Very low	33.5	Very low	93 Å²	93	130.9 Å²	130.9	56%	0.564	66%	0.662	S	S	*	*			trans	83.6	112.6	132.2	-150.1	0	0	0	0	118.7
9	F	31.3	Very low	33.8	Very low	173 Å²	173	128.9 Å²	128.9	76%	0.759	67%	0.667	S	S	*	*				157.9	95.2	114.2	-89.2	-73.1	0	0	0	108.6	Q11	F9-Q11 VanDerWaalsContact C-N 3.34Å; F9-Q11 PolarHBondContact O-N 3.39Å
10	S	30.3	Very low	34.4	Very low	106 Å²	106	128.3 Å²	128.3	74%	0.741	67%	0.672	S	S	*	*			trans	-71.4	89.1	169.3	-169.9	0	0	0	0	108.5
11	Q	37.9	Very low	34.7	Very low	97 Å²	97	132.7 Å²	132.7	45%	0.453	68%	0.681	S	S	.	*			trans	-99.8	115.8	166.2	-70.2	-171.1	-13.6	0	0	107.5	F9 L13	F9-Q11 VanDerWaalsContact C-N 3.34Å; F9-Q11 PolarHBondContact O-N 3.39Å; Q11-L13 PolarHBondContact O-N 3.2Å
12	L	42.1	Very low	35.5	Very low	92 Å²	92	123.2 Å²	123.2	48%	0.482	64%	0.644	S	S	.	*			trans	-60.9	121.9	174.8	-102.7	89.9	0	0	0	109.4	P336	L12-P336 HydrophobicContact CD1-CG 4.26Å
13	L	43	Very low	36.6	Very low	67 Å²	67	115.7 Å²	115.7	35%	0.351	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.5	113.3	178.4	-76.8	155.8	0	0	0	108.5	Q11 L25 V27 F41	Q11-L13 PolarHBondContact O-N 3.2Å; L13-L25 HydrophobicContact CD2-CD1 4.01Å; L13-V27 HydrophobicContact CD2-CG2 4.24Å; L13-F41 HydrophobicContact CD1-CE2 4.07Å; L13-F41 HydrophobicContact CD1-CZ 4.41Å; L13-F41 HydrophobicContact CD2-CD2 4.27Å; L13-F41 HydrophobicContact CD2-CE2 3.3Å; L13-F41 HydrophobicContact CD2-CZ 3.64Å; L13-F41 HydrophobicContact CG-CE2 4.33Å
14	L	42	Very low	37.9	Very low	122 Å²	122	110.3 Å²	110.3	64%	0.639	59%	0.59	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-113.3	117.6	172.2	-82.3	159.6	0	0	0	108.5	W26	L14-W26 PolarHBondContact O-N 3.32Å
15	I	41.7	Very low	39.7	Very low	83 Å²	83	104 Å²	104	43%	0.426	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.8	112.7	175.3	-56.7	173.1	0	0	0	106.8	L25 F48	I15-L25 HydrophobicContact CG1-CD1 4.19Å; I15-F48 HydrophobicContact CD1-CB 4.08Å; I15-F48 HydrophobicContact CD1-CD1 3.72Å; I15-F48 HydrophobicContact CD1-CE1 4.36Å; I15-F48 HydrophobicContact CD1-CG 3.94Å
16	A	41.6	Very low	41.2	Very low	46 Å²	46	97.4 Å²	97.4	38%	0.38	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.7	175.8	0	0	0	0	0	110	V18 T24	A16-V18 PolarHBondContact O-N 2.7Å; A16-T24 PolarHBondContact O-N 3.18Å
17	P	35.4	Very low	42.7	Very low	126 Å²	126	92 Å²	92	82%	0.818	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	118.8	170.5	27.9	-28.8	0	0	0	109.6
18	V	35.9	Very low	43.8	Very low	84 Å²	84	89.8 Å²	89.8	51%	0.509	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.2	169.2	-166.6	0	0	0	0	107.8	A16 G22	A16-V18 PolarHBondContact O-N 2.7Å; V18-G22 CarbonylContact C-O 3.59Å; V18-G22 WeakPolarHBondContact CB-O 3.08Å; V18-G22 PolarHBondContact N-O 2.96Å; V18-G22 VanDerWaalsContact N-O 3.14Å; V18-G22 CarbonylContact O-C 3.59Å; V18-G22 PolarHBondContact O-N 3.2Å; V18-G22 VanDerWaalsContact O-N 3.09Å
19	A	39	Very low	45	Very low	93 Å²	93	88.4 Å²	88.4	77%	0.769	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	149.7	179.9	0	0	0	0	0	111.5
20	P	44.9	Very low	46.1	Very low	116 Å²	116	88.2 Å²	88.2	75%	0.753	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	cis	-95	120.4	-5.5	26.9	-11.8	0	0	0	110.4	G22	P20-G22 PolarHBondContact O-N 2.87Å
21	Y	40.9	Very low	47.9	Very low	222 Å²	222	90.2 Å²	90.2	87%	0.871	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	31.4	171.5	-50.7	-73.4	0	0	0	118.7
22	G	46.6	Very low	49.3	Very low	36 Å²	36	86.5 Å²	86.5	37%	0.371	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	106.2	165.3	0	0	0	0	0	111.2	V18 P20	V18-G22 CarbonylContact C-O 3.59Å; V18-G22 WeakPolarHBondContact CB-O 3.08Å; V18-G22 PolarHBondContact N-O 2.96Å; V18-G22 VanDerWaalsContact N-O 3.14Å; V18-G22 CarbonylContact O-C 3.59Å; V18-G22 PolarHBondContact O-N 3.2Å; V18-G22 VanDerWaalsContact O-N 3.09Å; P20-G22 PolarHBondContact O-N 2.87Å
23	F	53.6	Low	50.5	Low	63 Å²	63	87 Å²	87	28%	0.276	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	142.7	164.3	66.5	-84.5	0	0	0	108.6	L38 F42 P50 W53	F23-L38 HydrophobicContact CE2-CD2 4.49Å; F23-F42 HydrophobicContact CD2-CZ 4.45Å; F23-F42 AromaticContact CE2-CE2 3.95Å; F23-F42 HydrophobicContact CE2-CE2 3.95Å; F23-F42 AromaticContact CE2-CZ 3.43Å; F23-F42 HydrophobicContact CE2-CZ 3.43Å; F23-F42 VanDerWaalsContact CE2-CZ 3.43Å; F23-F42 AromaticContact CZ-CE2 3.73Å; F23-F42 HydrophobicContact CZ-CE2 3.73Å; F23-F42 AromaticContact CZ-CZ 3.55Å; F23-F42 HydrophobicContact CZ-CZ 3.55Å; F23-P50 HydrophobicContact CD1-CB 4.39Å; F23-P50 HydrophobicContact CD1-CG 3.5Å; F23-P50 VanDerWaalsContact CD1-CG 3.5Å; F23-P50 HydrophobicContact CE1-CB 4.26Å; F23-P50 HydrophobicContact CE1-CG 3.08Å; F23-P50 HydrophobicContact CE2-CG 4.36Å; F23-P50 HydrophobicContact CG-CG 4.26Å; F23-P50 HydrophobicContact CZ-CG 3.53Å; F23-W53 AromaticContact CE1-CE3 3.5Å; F23-W53 HydrophobicContact CE1-CE3 3.5Å; F23-W53 VanDerWaalsContact CE1-CE3 3.5Å; F23-W53 AromaticContact CE1-CZ3 3.61Å; F23-W53 HydrophobicContact CE1-CZ3 3.61Å; F23-W53 HydrophobicContact CE2-CZ3 4.2Å; F23-W53 HydrophobicContact CZ-CD2 4.31Å; F23-W53 AromaticContact CZ-CE3 3.28Å; F23-W53 HydrophobicContact CZ-CE3 3.28Å; F23-W53 HydrophobicContact CZ-CH2 4.11Å; F23-W53 AromaticContact CZ-CZ3 3.16Å; F23-W53 HydrophobicContact CZ-CZ3 3.16Å
24	T	57.2	Low	51.9	Low	21 Å²	21	87.3 Å²	87.3	13%	0.129	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	120.2	178	-39.6	0	0	0	0	108.8	A16 R31	A16-T24 PolarHBondContact O-N 3.18Å; T24-R31 HydrophobicContact CG2-CG 3.74Å
25	L	62.5	Low	53.4	Low	7 Å²	7	84.3 Å²	84.3	4%	0.037	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	131.4	177.1	-174.2	68.6	0	0	0	110.5	L13 I15 V27 V32 L38 F41	L13-L25 HydrophobicContact CD2-CD1 4.01Å; I15-L25 HydrophobicContact CG1-CD1 4.19Å; L25-V27 HydrophobicContact CD2-CG2 4.36Å; L25-V27 HydrophobicContact CG-CG2 4.38Å; L25-V32 HydrophobicContact CB-CB 4.48Å; L25-V32 HydrophobicContact CD2-CB 4.47Å; L25-V32 HydrophobicContact CD2-CG2 4.47Å; L25-V32 PolarHBondContact O-N 3.04Å; L25-L38 HydrophobicContact CB-CD2 3.7Å; L25-L38 HydrophobicContact CD2-CD2 3.57Å; L25-L38 HydrophobicContact CG-CD2 4.28Å; L25-F41 HydrophobicContact CD1-CD1 4.46Å; L25-F41 HydrophobicContact CD1-CE1 3.99Å; L25-F41 HydrophobicContact CD1-CZ 4.03Å; L25-F41 HydrophobicContact CD2-CB 4.18Å; L25-F41 HydrophobicContact CD2-CD1 3.63Å; L25-F41 HydrophobicContact CD2-CD2 4.06Å; L25-F41 HydrophobicContact CD2-CE1 4.01Å; L25-F41 HydrophobicContact CD2-CE2 4.42Å; L25-F41 HydrophobicContact CD2-CG 3.66Å; L25-F41 HydrophobicContact CD2-CZ 4.4Å
26	W	60.7	Low	54.9	Low	105 Å²	105	82.8 Å²	82.8	40%	0.398	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.5	174.8	-63.8	79.8	0	0	0	109.6	L14 R31	L14-W26 PolarHBondContact O-N 3.32Å; W26-R31 HydrophobicContact CD2-CB 4.18Å; W26-R31 HydrophobicContact CE3-CB 3.99Å; W26-R31 VanDerWaalsContact CE3-N 3.32Å; W26-R31 HydrophobicContact CH2-CB 3.87Å; W26-R31 HydrophobicContact CZ2-CB 4.05Å; W26-R31 HydrophobicContact CZ2-CG 4.25Å; W26-R31 HydrophobicContact CZ3-CB 3.83Å
27	V	56.3	Low	56.4	Low	31 Å²	31	86 Å²	86	19%	0.188	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	122.7	174.1	178.5	0	0	0	0	107.8	L13 L25 G29 K30 V32	L13-V27 HydrophobicContact CD2-CG2 4.24Å; L25-V27 HydrophobicContact CD2-CG2 4.36Å; L25-V27 HydrophobicContact CG-CG2 4.38Å; V27-G29 PolarHBondContact O-N 3.14Å; V27-K30 PolarHBondContact N-O 2.03Å; V27-K30 PolarHBondContact O-N 3.05Å; V27-V32 HydrophobicContact CB-CG2 3.95Å; V27-V32 HydrophobicContact CG2-CG2 3.68Å
28	N	50.5	Low	58.2	Low	102 Å²	102	80.8 Å²	80.8	55%	0.545	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	40.7	-178.6	-56.7	-29.9	0	0	0	113.4	K30	N28-K30 PolarHBondContact O-N 3.26Å
29	G	51.9	Low	60.1	Low	65 Å²	65	83.2 Å²	83.2	67%	0.67	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	0.5	179.1	0	0	0	0	0	115.4	V27	V27-G29 PolarHBondContact O-N 3.14Å
30	K	54.1	Low	61.8	Low	168 Å²	168	86.5 Å²	86.5	73%	0.73	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.4	172.3	-68.7	-173.3	178.8	-178.1	0	110.4	V27 N28 V32	V27-K30 PolarHBondContact N-O 2.03Å; V27-K30 PolarHBondContact O-N 3.05Å; N28-K30 PolarHBondContact O-N 3.26Å; K30-V32 PolarHBondContact O-N 3.41Å
31	R	68.1	Low	63.1	Low	149 Å²	149	82 Å²	82	56%	0.562	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	123.7	174.4	-172.7	-178.9	179.5	-178.8	3.2	108.8	T24 W26 T33	T24-R31 HydrophobicContact CG2-CG 3.74Å; W26-R31 HydrophobicContact CD2-CB 4.18Å; W26-R31 HydrophobicContact CE3-CB 3.99Å; W26-R31 VanDerWaalsContact CE3-N 3.32Å; W26-R31 HydrophobicContact CH2-CB 3.87Å; W26-R31 HydrophobicContact CZ2-CB 4.05Å; W26-R31 HydrophobicContact CZ2-CG 4.25Å; W26-R31 HydrophobicContact CZ3-CB 3.83Å; R31-T33 HydrophobicContact CG-CG2 3.86Å; R31-T33 PolarHBondContact O-N 2.71Å
32	V	67.3	Low	65	Low	18 Å²	18	72 Å²	72	11%	0.109	38%	0.378	C	S	.	.			trans	-84.6	106.3	173.2	-176.1	0	0	0	0	107.6	L25 V27 K30 Q37 L38	L25-V32 HydrophobicContact CB-CB 4.48Å; L25-V32 HydrophobicContact CD2-CB 4.47Å; L25-V32 HydrophobicContact CD2-CG2 4.47Å; L25-V32 PolarHBondContact O-N 3.04Å; V27-V32 HydrophobicContact CB-CG2 3.95Å; V27-V32 HydrophobicContact CG2-CG2 3.68Å; K30-V32 PolarHBondContact O-N 3.41Å; V32-Q37 HydrophobicContact CG1-CB 3.64Å; V32-L38 HydrophobicContact CG1-CD2 4.26Å; V32-L38 HydrophobicContact CG1-CG 4.16Å
33	T	68.4	Low	66.3	Low	103 Å²	103	79.2 Å²	79.2	63%	0.632	40%	0.399	S	S	*	.			trans	-104.4	-14.4	177.2	54.8	0	0	0	0	112.9	R31 P35	R31-T33 HydrophobicContact CG-CG2 3.86Å; R31-T33 PolarHBondContact O-N 2.71Å; T33-P35 WeakPolarHBondContact O-CD 3.43Å
34	D	72.5	Confident	67.2	Low	74 Å²	74	84.7 Å²	84.7	40%	0.396	42%	0.418	S	S	.	.			trans	-74.8	116.9	179.5	178.5	2.1	0	0	0	110.8	A36 Q37 L38	D34-A36 VanDerWaalsContact C-N 3.26Å; D34-A36 PolarHBondContact O-N 2.62Å; D34-A36 WeakPolarHBondContact OD1-CB 3.31Å; D34-A36 PolarHBondContact OD1-N 3.19Å; D34-Q37 HydrophobicContact CB-CB 4.24Å; D34-Q37 HydrophobicContact CB-CG 4.09Å; D34-Q37 PolarHBondContact O-N 3.16Å; D34-Q37 VanDerWaalsContact O-N 3.14Å; D34-L38 PolarHBondContact O-N 3.45Å
35	P	72.7	Confident	67.9	Low	59 Å²	59	87.2 Å²	87.2	38%	0.383	43%	0.426	S	S	.	.	H	α-helix	trans	-57.4	-34.2	177.9	-23.7	34.4	0	0	0	114.1	T33 Q37 L38 E39 A56	T33-P35 WeakPolarHBondContact O-CD 3.43Å; P35-Q37 VanDerWaalsContact C-N 3.31Å; P35-Q37 PolarHBondContact O-N 3.01Å; P35-L38 PolarHBondContact O-N 3.14Å; P35-E39 PolarHBondContact O-N 3.12Å; P35-A56 HydrophobicContact CB-CB 3.82Å; P35-A56 HydrophobicContact CG-CB 3.99Å
36	A	73.7	Confident	68.1	Low	51 Å²	51	91 Å²	91	42%	0.421	45%	0.451	S	S	.	.	H	α-helix	trans	-68.2	-32.8	179.6	0	0	0	0	0	111.9	D34 K40	D34-A36 VanDerWaalsContact C-N 3.26Å; D34-A36 PolarHBondContact O-N 2.62Å; D34-A36 WeakPolarHBondContact OD1-CB 3.31Å; D34-A36 PolarHBondContact OD1-N 3.19Å; A36-K40 WeakPolarHBondContact O-CG 3.11Å; A36-K40 PolarHBondContact O-N 2.98Å; A36-K40 VanDerWaalsContact O-N 3.12Å
37	Q	73	Confident	68.7	Low	112 Å²	112	92.2 Å²	92.2	52%	0.523	46%	0.461	S	S	.	.	H	α-helix	trans	-71.1	-39.2	173	-69.7	-158.5	-7.9	0	0	112.1	V32 D34 P35 E39 K40 F41	V32-Q37 HydrophobicContact CG1-CB 3.64Å; D34-Q37 HydrophobicContact CB-CB 4.24Å; D34-Q37 HydrophobicContact CB-CG 4.09Å; D34-Q37 PolarHBondContact O-N 3.16Å; D34-Q37 VanDerWaalsContact O-N 3.14Å; P35-Q37 VanDerWaalsContact C-N 3.31Å; P35-Q37 PolarHBondContact O-N 3.01Å; Q37-E39 VanDerWaalsContact C-N 3.33Å; Q37-E39 PolarHBondContact O-N 3.04Å; Q37-K40 PolarHBondContact O-N 2.83Å; Q37-F41 WeakPolarHBondContact O-CB 3.38Å; Q37-F41 PolarHBondContact O-N 2.87Å
38	L	72	Confident	69.4	Low	18 Å²	18	95.1 Å²	95.1	9%	0.094	47%	0.471	C	S	.	.	H	α-helix	trans	-62.3	-41.2	174.6	-71.7	169.9	0	0	0	111.6	F23 L25 V32 D34 P35 F41 F42 W53	F23-L38 HydrophobicContact CE2-CD2 4.49Å; L25-L38 HydrophobicContact CB-CD2 3.7Å; L25-L38 HydrophobicContact CD2-CD2 3.57Å; L25-L38 HydrophobicContact CG-CD2 4.28Å; V32-L38 HydrophobicContact CG1-CD2 4.26Å; V32-L38 HydrophobicContact CG1-CG 4.16Å; D34-L38 PolarHBondContact O-N 3.45Å; P35-L38 PolarHBondContact O-N 3.14Å; L38-F41 WeakPolarHBondContact O-CB 3.36Å; L38-F41 PolarHBondContact O-N 3.25Å; L38-F42 HydrophobicContact CB-CE2 4.33Å; L38-F42 WeakPolarHBondContact O-CD2 3.41Å; L38-F42 WeakPolarHBondContact O-CG 2.95Å; L38-F42 PolarHBondContact O-N 3.14Å; L38-W53 HydrophobicContact CB-CH2 3.93Å; L38-W53 HydrophobicContact CB-CZ2 3.86Å; L38-W53 HydrophobicContact CD1-CH2 3.61Å; L38-W53 HydrophobicContact CD1-CZ2 4.37Å; L38-W53 HydrophobicContact CD1-CZ3 4.45Å; L38-W53 HydrophobicContact CG-CH2 4.34Å
39	E	75.7	Confident	70.3	Confident	134 Å²	134	95.4 Å²	95.4	63%	0.626	47%	0.468	S	S	*	.	H	α-helix	trans	-65.8	-44.1	177.5	-168.5	170.4	-165.4	0	0	112.3	P35 Q37 F41 F42 K43	P35-E39 PolarHBondContact O-N 3.12Å; Q37-E39 VanDerWaalsContact C-N 3.33Å; Q37-E39 PolarHBondContact O-N 3.04Å; E39-F41 VanDerWaalsContact C-N 3.29Å; E39-F41 PolarHBondContact O-N 2.91Å; E39-F42 PolarHBondContact O-N 2.98Å; E39-K43 WeakPolarHBondContact O-CB 2.94Å; E39-K43 PolarHBondContact O-N 3Å
40	K	74.8	Confident	71	Confident	162 Å²	162	94 Å²	94	70%	0.704	45%	0.447	S	S	*	.	H	α-helix	trans	-59	-41	171.8	-78	-179.9	-179.7	176.1	0	111.9	A36 Q37 K43 R44	A36-K40 WeakPolarHBondContact O-CG 3.11Å; A36-K40 PolarHBondContact O-N 2.98Å; A36-K40 VanDerWaalsContact O-N 3.12Å; Q37-K40 PolarHBondContact O-N 2.83Å; K40-K43 PolarHBondContact O-N 3Å; K40-R44 PolarHBondContact O-N 2.96Å; K40-R44 VanDerWaalsContact O-N 3.14Å
41	F	73.4	Confident	71.6	Confident	22 Å²	22	92.3 Å²	92.3	10%	0.096	45%	0.453	C	S	.	.	H	α-helix	trans	-62.1	-49.5	177.5	176.5	-97.6	0	0	0	111.4	L13 L25 Q37 L38 E39 K43 R44 Y45 F48	L13-F41 HydrophobicContact CD1-CE2 4.07Å; L13-F41 HydrophobicContact CD1-CZ 4.41Å; L13-F41 HydrophobicContact CD2-CD2 4.27Å; L13-F41 HydrophobicContact CD2-CE2 3.3Å; L13-F41 HydrophobicContact CD2-CZ 3.64Å; L13-F41 HydrophobicContact CG-CE2 4.33Å; L25-F41 HydrophobicContact CD1-CD1 4.46Å; L25-F41 HydrophobicContact CD1-CE1 3.99Å; L25-F41 HydrophobicContact CD1-CZ 4.03Å; L25-F41 HydrophobicContact CD2-CB 4.18Å; L25-F41 HydrophobicContact CD2-CD1 3.63Å; L25-F41 HydrophobicContact CD2-CD2 4.06Å; L25-F41 HydrophobicContact CD2-CE1 4.01Å; L25-F41 HydrophobicContact CD2-CE2 4.42Å; L25-F41 HydrophobicContact CD2-CG 3.66Å; L25-F41 HydrophobicContact CD2-CZ 4.4Å; Q37-F41 WeakPolarHBondContact O-CB 3.38Å; Q37-F41 PolarHBondContact O-N 2.87Å; L38-F41 WeakPolarHBondContact O-CB 3.36Å; L38-F41 PolarHBondContact O-N 3.25Å; E39-F41 VanDerWaalsContact C-N 3.29Å; E39-F41 PolarHBondContact O-N 2.91Å; F41-K43 VanDerWaalsContact C-N 3.33Å; F41-K43 PolarHBondContact O-N 3.35Å; F41-R44 CarbonylContact O-C 3.54Å; F41-R44 PolarHBondContact O-N 3.25Å; F41-R44 VanDerWaalsContact O-N 3.08Å; F41-Y45 AromaticContact CD2-CD2 3.71Å; F41-Y45 HydrophobicContact CD2-CD2 3.71Å; F41-Y45 HydrophobicContact CD2-CE2 4.14Å; F41-Y45 AromaticContact CE2-CD2 3.43Å; F41-Y45 HydrophobicContact CE2-CD2 3.43Å; F41-Y45 VanDerWaalsContact CE2-CD2 3.43Å; F41-Y45 AromaticContact CE2-CE2 3.91Å; F41-Y45 HydrophobicContact CE2-CE2 3.91Å; F41-Y45 HydrophobicContact CE2-CG 4.31Å; F41-Y45 HydrophobicContact CG-CD2 4.44Å; F41-Y45 AromaticContact CZ-CD2 4Å; F41-Y45 HydrophobicContact CZ-CD2 4Å; F41-Y45 HydrophobicContact CZ-CG 4.48Å; F41-Y45 PolarHBondContact O-N 2.97Å; F41-F48 HydrophobicContact CE1-CB 4.07Å; F41-F48 HydrophobicContact CE1-CD2 4.4Å; F41-F48 HydrophobicContact CZ-CD2 4.04Å
42	F	79.3	Confident	71.3	Confident	11 Å²	11	91.7 Å²	91.7	5%	0.048	46%	0.461	C	S	.	.	H	α-helix	trans	-70.6	-26.6	179.7	-66.6	-45.3	0	0	0	114	F23 L38 E39 R44 Y45 P46 F48 K49 W53	F23-F42 HydrophobicContact CD2-CZ 4.45Å; F23-F42 AromaticContact CE2-CE2 3.95Å; F23-F42 HydrophobicContact CE2-CE2 3.95Å; F23-F42 AromaticContact CE2-CZ 3.43Å; F23-F42 HydrophobicContact CE2-CZ 3.43Å; F23-F42 VanDerWaalsContact CE2-CZ 3.43Å; F23-F42 AromaticContact CZ-CE2 3.73Å; F23-F42 HydrophobicContact CZ-CE2 3.73Å; F23-F42 AromaticContact CZ-CZ 3.55Å; F23-F42 HydrophobicContact CZ-CZ 3.55Å; L38-F42 HydrophobicContact CB-CE2 4.33Å; L38-F42 WeakPolarHBondContact O-CD2 3.41Å; L38-F42 WeakPolarHBondContact O-CG 2.95Å; L38-F42 PolarHBondContact O-N 3.14Å; E39-F42 PolarHBondContact O-N 2.98Å; F42-R44 VanDerWaalsContact C-N 3.29Å; F42-Y45 CarbonylContact O-C 3.23Å; F42-P46 VanDerWaalsContact O-CA 3.3Å; F42-P46 WeakPolarHBondContact O-CA 3.36Å; F42-F48 HydrophobicContact CE1-CB 4.33Å; F42-F48 WeakPolarHBondContact CE1-O 3.37Å; F42-K49 HydrophobicContact CB-CB 4.02Å; F42-K49 HydrophobicContact CB-CD 4.22Å; F42-K49 HydrophobicContact CB-CG 4.02Å; F42-K49 VanDerWaalsContact CD1-CA 3.43Å; F42-K49 HydrophobicContact CD1-CB 3.79Å; F42-K49 HydrophobicContact CD1-CG 4.27Å; F42-K49 HydrophobicContact CD2-CG 4.27Å; F42-K49 HydrophobicContact CE1-CB 4.46Å; F42-K49 HydrophobicContact CG-CB 3.92Å; F42-K49 HydrophobicContact CG-CG 3.94Å; F42-W53 HydrophobicContact CD2-CD2 4.28Å; F42-W53 HydrophobicContact CD2-CZ2 4.39Å; F42-W53 AromaticContact CE2-CD2 3.96Å; F42-W53 HydrophobicContact CE2-CD2 3.96Å; F42-W53 AromaticContact CE2-CE2 3.98Å; F42-W53 HydrophobicContact CE2-CE3 4.15Å; F42-W53 HydrophobicContact CE2-CH2 4.31Å; F42-W53 HydrophobicContact CE2-CZ2 4.14Å; F42-W53 HydrophobicContact CE2-CZ3 4.34Å
43	K	74.5	Confident	70.9	Confident	188 Å²	188	93.7 Å²	93.7	82%	0.817	47%	0.467	S	S	*	.	H	α-helix	trans	-66.1	-34.1	169.5	-169.7	174	-177.6	175.5	0	111.8	E39 K40 F41	E39-K43 WeakPolarHBondContact O-CB 2.94Å; E39-K43 PolarHBondContact O-N 3Å; K40-K43 PolarHBondContact O-N 3Å; F41-K43 VanDerWaalsContact C-N 3.33Å; F41-K43 PolarHBondContact O-N 3.35Å
44	R	72.2	Confident	70.5	Confident	178 Å²	178	93.7 Å²	93.7	67%	0.672	48%	0.477	S	S	*	.	H	α-helix	trans	-82.3	-32.2	177.9	-170	171.6	-178.7	156.7	1.1	113	K40 F41 F42	K40-R44 PolarHBondContact O-N 2.96Å; K40-R44 VanDerWaalsContact O-N 3.14Å; F41-R44 CarbonylContact O-C 3.54Å; F41-R44 PolarHBondContact O-N 3.25Å; F41-R44 VanDerWaalsContact O-N 3.08Å; F42-R44 VanDerWaalsContact C-N 3.29Å
45	Y	71.7	Confident	69.6	Low	75 Å²	75	91.9 Å²	91.9	29%	0.294	48%	0.475	S	S	.	.			trans	-133.1	73.5	-177.6	-52.8	-77.1	0	0	0	111.6	F41 F42 Q47 F48	F41-Y45 AromaticContact CD2-CD2 3.71Å; F41-Y45 HydrophobicContact CD2-CD2 3.71Å; F41-Y45 HydrophobicContact CD2-CE2 4.14Å; F41-Y45 AromaticContact CE2-CD2 3.43Å; F41-Y45 HydrophobicContact CE2-CD2 3.43Å; F41-Y45 VanDerWaalsContact CE2-CD2 3.43Å; F41-Y45 AromaticContact CE2-CE2 3.91Å; F41-Y45 HydrophobicContact CE2-CE2 3.91Å; F41-Y45 HydrophobicContact CE2-CG 4.31Å; F41-Y45 HydrophobicContact CG-CD2 4.44Å; F41-Y45 AromaticContact CZ-CD2 4Å; F41-Y45 HydrophobicContact CZ-CD2 4Å; F41-Y45 HydrophobicContact CZ-CG 4.48Å; F41-Y45 PolarHBondContact O-N 2.97Å; F42-Y45 CarbonylContact O-C 3.23Å; Y45-Q47 PolarHBondContact O-N 3.34Å; Y45-F48 HydrophobicContact CG-CD2 4.33Å; Y45-F48 PolarHBondContact O-N 3.01Å; Y45-F48 VanDerWaalsContact O-N 3.15Å
46	P	68.5	Low	68.6	Low	87 Å²	87	92.5 Å²	92.5	57%	0.565	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-62.9	-25.6	-173.5	22.8	-32.1	0	0	0	113.6	F42 F48 K49	F42-P46 VanDerWaalsContact O-CA 3.3Å; F42-P46 WeakPolarHBondContact O-CA 3.36Å; P46-F48 PolarHBondContact O-N 3.27Å; P46-K49 VanDerWaalsContact O-CB 3.31Å; P46-K49 WeakPolarHBondContact O-CB 3.33Å; P46-K49 PolarHBondContact O-N 2.87Å
47	Q	71.6	Confident	67.1	Low	130 Å²	130	94.3 Å²	94.3	61%	0.607	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-64.5	-18.8	177.4	73.2	-83.1	26.1	0	0	114.3	Y45	Y45-Q47 PolarHBondContact O-N 3.34Å
48	F	72.6	Confident	65.4	Low	91 Å²	91	94 Å²	94	40%	0.399	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-97.3	-5.1	176.2	-59.1	-57.2	0	0	0	112.7	I15 F41 F42 Y45 P46 P50	I15-F48 HydrophobicContact CD1-CB 4.08Å; I15-F48 HydrophobicContact CD1-CD1 3.72Å; I15-F48 HydrophobicContact CD1-CE1 4.36Å; I15-F48 HydrophobicContact CD1-CG 3.94Å; F41-F48 HydrophobicContact CE1-CB 4.07Å; F41-F48 HydrophobicContact CE1-CD2 4.4Å; F41-F48 HydrophobicContact CZ-CD2 4.04Å; F42-F48 HydrophobicContact CE1-CB 4.33Å; F42-F48 WeakPolarHBondContact CE1-O 3.37Å; Y45-F48 HydrophobicContact CG-CD2 4.33Å; Y45-F48 PolarHBondContact O-N 3.01Å; Y45-F48 VanDerWaalsContact O-N 3.15Å; P46-F48 PolarHBondContact O-N 3.27Å; F48-P50 VanDerWaalsContact O-CD 3.31Å; F48-P50 WeakPolarHBondContact O-CD 3.28Å
49	K	69.6	Low	63.7	Low	109 Å²	109	99.2 Å²	99.2	47%	0.474	54%	0.543	S	S	.	.	S	Bend	trans	-69	118.2	178.2	-170.5	-179.4	178.7	-178.4	0	108.8	F42 P46 W53	F42-K49 HydrophobicContact CB-CB 4.02Å; F42-K49 HydrophobicContact CB-CD 4.22Å; F42-K49 HydrophobicContact CB-CG 4.02Å; F42-K49 VanDerWaalsContact CD1-CA 3.43Å; F42-K49 HydrophobicContact CD1-CB 3.79Å; F42-K49 HydrophobicContact CD1-CG 4.27Å; F42-K49 HydrophobicContact CD2-CG 4.27Å; F42-K49 HydrophobicContact CE1-CB 4.46Å; F42-K49 HydrophobicContact CG-CB 3.92Å; F42-K49 HydrophobicContact CG-CG 3.94Å; P46-K49 VanDerWaalsContact O-CB 3.31Å; P46-K49 WeakPolarHBondContact O-CB 3.33Å; P46-K49 PolarHBondContact O-N 2.87Å; K49-W53 HydrophobicContact CG-CB 4.15Å; K49-W53 HydrophobicContact CG-CG 4.46Å
50	P	65.5	Low	61.7	Low	36 Å²	36	99.5 Å²	99.5	23%	0.234	55%	0.554	C	S	.	*			trans	-64.2	146.6	178.2	5.5	-3	0	0	0	110.7	F23 F48 N52 W53	F23-P50 HydrophobicContact CD1-CB 4.39Å; F23-P50 HydrophobicContact CD1-CG 3.5Å; F23-P50 VanDerWaalsContact CD1-CG 3.5Å; F23-P50 HydrophobicContact CE1-CB 4.26Å; F23-P50 HydrophobicContact CE1-CG 3.08Å; F23-P50 HydrophobicContact CE2-CG 4.36Å; F23-P50 HydrophobicContact CG-CG 4.26Å; F23-P50 HydrophobicContact CZ-CG 3.53Å; F48-P50 VanDerWaalsContact O-CD 3.31Å; F48-P50 WeakPolarHBondContact O-CD 3.28Å; P50-N52 PolarHBondContact O-N 2.82Å; P50-N52 VanDerWaalsContact O-N 3.08Å; P50-W53 HydrophobicContact CG-CB 4.4Å; P50-W53 WeakPolarHBondContact O-CB 3.48Å; P50-W53 PolarHBondContact O-N 3.12Å; P50-W53 VanDerWaalsContact O-N 3.15Å
51	P	66	Low	59.5	Low	131 Å²	131	97.8 Å²	97.8	85%	0.851	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-31.2	-175.5	-24.2	31.9	0	0	0	113.8
52	N	61.8	Low	57.5	Low	137 Å²	137	102.2 Å²	102.2	73%	0.733	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	18.8	-173.4	-53.5	-6.2	0	0	0	112.8	P50 A54	P50-N52 PolarHBondContact O-N 2.82Å; P50-N52 VanDerWaalsContact O-N 3.08Å; N52-A54 PolarHBondContact O-N 3.2Å
53	W	60.3	Low	55.1	Low	60 Å²	60	108.3 Å²	108.3	23%	0.227	63%	0.629	C	S	.	*			trans	-71.2	94.2	178.2	-177.6	-92.2	0	0	0	110.9	F23 L38 F42 K49 P50 G55	F23-W53 AromaticContact CE1-CE3 3.5Å; F23-W53 HydrophobicContact CE1-CE3 3.5Å; F23-W53 VanDerWaalsContact CE1-CE3 3.5Å; F23-W53 AromaticContact CE1-CZ3 3.61Å; F23-W53 HydrophobicContact CE1-CZ3 3.61Å; F23-W53 HydrophobicContact CE2-CZ3 4.2Å; F23-W53 HydrophobicContact CZ-CD2 4.31Å; F23-W53 AromaticContact CZ-CE3 3.28Å; F23-W53 HydrophobicContact CZ-CE3 3.28Å; F23-W53 HydrophobicContact CZ-CH2 4.11Å; F23-W53 AromaticContact CZ-CZ3 3.16Å; F23-W53 HydrophobicContact CZ-CZ3 3.16Å; L38-W53 HydrophobicContact CB-CH2 3.93Å; L38-W53 HydrophobicContact CB-CZ2 3.86Å; L38-W53 HydrophobicContact CD1-CH2 3.61Å; L38-W53 HydrophobicContact CD1-CZ2 4.37Å; L38-W53 HydrophobicContact CD1-CZ3 4.45Å; L38-W53 HydrophobicContact CG-CH2 4.34Å; F42-W53 HydrophobicContact CD2-CD2 4.28Å; F42-W53 HydrophobicContact CD2-CZ2 4.39Å; F42-W53 AromaticContact CE2-CD2 3.96Å; F42-W53 HydrophobicContact CE2-CD2 3.96Å; F42-W53 AromaticContact CE2-CE2 3.98Å; F42-W53 HydrophobicContact CE2-CE3 4.15Å; F42-W53 HydrophobicContact CE2-CH2 4.31Å; F42-W53 HydrophobicContact CE2-CZ2 4.14Å; F42-W53 HydrophobicContact CE2-CZ3 4.34Å; K49-W53 HydrophobicContact CG-CB 4.15Å; K49-W53 HydrophobicContact CG-CG 4.46Å; P50-W53 HydrophobicContact CG-CB 4.4Å; P50-W53 WeakPolarHBondContact O-CB 3.48Å; P50-W53 PolarHBondContact O-N 3.12Å; P50-W53 VanDerWaalsContact O-N 3.15Å; W53-G55 VanDerWaalsContact C-N 3.29Å; W53-G55 PolarHBondContact O-N 2.9Å
54	A	59.8	Low	53	Low	102 Å²	102	104.5 Å²	104.5	84%	0.843	63%	0.626	S	S	*	*			trans	-87.4	12.9	178.5	0	0	0	0	0	114.1	N52	N52-A54 PolarHBondContact O-N 3.2Å
55	G	53.7	Low	51	Low	36 Å²	36	101.7 Å²	101.7	37%	0.371	63%	0.634	S	S	.	*	S	Bend	trans	79.7	-178.1	-170.6	0	0	0	0	0	112.1	W53 A57	W53-G55 VanDerWaalsContact C-N 3.29Å; W53-G55 PolarHBondContact O-N 2.9Å; G55-A57 PolarHBondContact O-N 3.28Å
56	A	51.6	Low	48.8	Very low	73 Å²	73	108.7 Å²	108.7	60%	0.603	66%	0.661	S	S	*	*			trans	-59.7	101.2	-167.5	0	0	0	0	0	112.8	P35	P35-A56 HydrophobicContact CB-CB 3.82Å; P35-A56 HydrophobicContact CG-CB 3.99Å
57	A	41.8	Very low	46.9	Very low	89 Å²	89	113.8 Å²	113.8	74%	0.736	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-79.9	131.3	164.4	0	0	0	0	0	109.1	G55	G55-A57 PolarHBondContact O-N 3.28Å
58	P	36.6	Very low	45	Very low	104 Å²	104	113.8 Å²	113.8	68%	0.675	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-63.2	158.2	178.6	-17.4	29.5	0	0	0	112.2	V60	P58-V60 PolarHBondContact O-N 2.96Å
59	P	36.4	Very low	43	Very low	128 Å²	128	116.2 Å²	116.2	83%	0.831	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-66.9	117.8	-171.5	9.9	-3	0	0	0	111.1	T61	P59-T61 PolarHBondContact O-N 3.36Å
60	V	34.3	Very low	41.1	Very low	140 Å²	140	116.6 Å²	116.6	85%	0.848	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-80	118.2	175.5	-172.8	0	0	0	0	108.9	P58	P58-V60 PolarHBondContact O-N 2.96Å
61	T	29.1	Very low	39.2	Very low	127 Å²	127	124 Å²	124	78%	0.779	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-66.2	132.7	171.4	36.5	0	0	0	0	111	P59	P59-T61 PolarHBondContact O-N 3.36Å
62	S	29.9	Very low	37.3	Very low	115 Å²	115	127.2 Å²	127.2	80%	0.804	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-57.7	129.4	-178.6	57.5	0	0	0	0	113.5
63	T	29.6	Very low	35.8	Very low	138 Å²	138	126.6 Å²	126.6	85%	0.847	76%	0.76	S	S	*	*			trans	-129.2	117.7	151	50	0	0	0	0	109.8
64	S	30.7	Very low	34.2	Very low	109 Å²	109	132.5 Å²	132.5	76%	0.762	79%	0.79	S	S	*	*			trans	-57.2	136.6	173.4	168.1	0	0	0	0	112.4
65	S	30.4	Very low	32.7	Very low	118 Å²	118	131.4 Å²	131.4	83%	0.825	79%	0.789	S	S	*	*			trans	-150.7	90.4	148	63.5	0	0	0	0	109.2
66	Y	25.5	Very low	31.4	Very low	222 Å²	222	135 Å²	135	87%	0.871	81%	0.808	S	S	*	*			trans	-73.8	129.1	169.5	-98.5	-97.1	0	0	0	110
67	K	27.9	Very low	30.3	Very low	195 Å²	195	137.4 Å²	137.4	85%	0.848	82%	0.821	S	S	*	*			trans	-127.8	136.9	155.4	-84	-171.8	175.8	-177.7	0	109.5
68	P	32.3	Very low	30.2	Very low	130 Å²	130	138.5 Å²	138.5	84%	0.844	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-87.3	140.7	-168.8	14.8	1.4	0	0	0	112.2
69	V	31.3	Very low	30.1	Very low	142 Å²	142	139.3 Å²	139.3	86%	0.861	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-91.2	128.3	176.7	174.5	0	0	0	0	109.9
70	S	28.3	Very low	30	Very low	117 Å²	117	137.2 Å²	137.2	82%	0.818	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-72.1	147.2	-176	-162.1	0	0	0	0	113.2
71	Q	25.8	Very low	29.7	Very low	190 Å²	190	135.3 Å²	135.3	89%	0.888	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-78.5	142.1	-174	-65.6	174.3	-12.9	0	0	112.1
72	K	26.7	Very low	29.7	Very low	200 Å²	200	138.1 Å²	138.1	87%	0.87	82%	0.818	S	S	*	*			trans	-109	145.2	174.5	-157	173.2	-174.6	-177.2	0	110.2
73	P	30.8	Very low	29.8	Very low	123 Å²	123	138 Å²	138	80%	0.799	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-78.7	150.3	-155.7	-14.4	30.6	0	0	0	115.5
74	Q	26.5	Very low	29.9	Very low	184 Å²	184	139.6 Å²	139.6	86%	0.86	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-68.3	122.3	176.8	-67.2	172	-72.2	0	0	111.5
75	G	26.6	Very low	29.8	Very low	80 Å²	80	140.4 Å²	140.4	83%	0.825	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-91.8	126.1	168.3	0	0	0	0	0	111
76	S	26.3	Very low	29.7	Very low	112 Å²	112	143 Å²	143	78%	0.783	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-77.5	140	173.3	48.5	0	0	0	0	112.2
77	S	29.2	Very low	30	Very low	123 Å²	123	137 Å²	137	86%	0.86	82%	0.82	S	S	*	*			trans	-167.2	160.5	158.2	-99.2	0	0	0	0	113.6
78	P	40.7	Very low	30	Very low	112 Å²	112	136.3 Å²	136.3	73%	0.727	83%	0.825	S	S	*	*				-111.7	168.9	-129	40	-33	0	0	0	115.1
79	S	33.9	Very low	29.9	Very low	120 Å²	120	134.7 Å²	134.7	84%	0.839	82%	0.817	S	S	*	*			trans	-68.9	137.8	176.4	-163	0	0	0	0	112.8
80	P	34	Very low	29.9	Very low	84 Å²	84	137.1 Å²	137.1	55%	0.545	82%	0.819	S	S	.	*			trans	-128.7	122.5	159.6	28	-9.2	0	0	0	114.4
81	A	28	Very low	30	Very low	101 Å²	101	139.1 Å²	139.1	84%	0.835	82%	0.821	S	S	*	*			trans	59.1	133	132.4	0	0	0	0	0	122.5
82	Q	28.9	Very low	30.4	Very low	186 Å²	186	133.4 Å²	133.4	87%	0.869	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-68.3	150.2	-175.7	-72.8	168.2	-98.1	0	0	114.6
83	P	32.9	Very low	30.5	Very low	112 Å²	112	133.6 Å²	133.6	73%	0.727	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-85.6	139	-175.2	32.9	-34.5	0	0	0	113.9
84	N	31	Very low	30.8	Very low	172 Å²	172	136.9 Å²	136.9	92%	0.92	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-72	131	170.6	-84	-22.5	0	0	0	111.8
85	T	28.3	Very low	31.6	Very low	125 Å²	125	134.3 Å²	134.3	77%	0.767	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-78.4	128.4	178.4	49.7	0	0	0	0	111.2
86	N	28.6	Very low	32.6	Very low	172 Å²	172	137.2 Å²	137.2	92%	0.92	81%	0.807	S	S	*	*			trans	-158	89	149.7	-92.1	-22.9	0	0	0	107.5
87	A	31.1	Very low	33.8	Very low	98 Å²	98	133.6 Å²	133.6	81%	0.81	78%	0.781	S	S	*	*			trans	-111.8	98.4	177.1	0	0	0	0	0	108.8	S89	A87-S89 PolarHBondContact O-N 2.94Å
88	N	29.7	Very low	34.8	Very low	179 Å²	179	134.1 Å²	134.1	96%	0.957	77%	0.77	S	S	*	*			trans	-82	103.7	160	-103.5	-8.2	0	0	0	107.7
89	S	29.2	Very low	35.4	Very low	97 Å²	97	132 Å²	132	68%	0.678	76%	0.756	S	S	*	*			trans	-81.5	120.7	178.5	177.9	0	0	0	0	110	A87	A87-S89 PolarHBondContact O-N 2.94Å
90	Q	31.3	Very low	36.6	Very low	193 Å²	193	128.1 Å²	128.1	90%	0.902	73%	0.729	S	S	*	*			trans	-111.4	125.4	155.8	-80.3	-165.3	-27.2	0	0	109.4	G92	Q90-G92 PolarHBondContact O-N 3.49Å; Q90-G92 VanDerWaalsContact O-N 3.14Å
91	N	30.5	Very low	38.2	Very low	159 Å²	159	128.6 Å²	128.6	85%	0.85	73%	0.734	S	S	*	*			trans	-56	103.1	-171.3	-73.9	-26.5	0	0	0	113.4
92	G	33.6	Very low	40.5	Very low	70 Å²	70	126.1 Å²	126.1	72%	0.722	71%	0.709	S	S	*	*			trans	-86.9	114	155.7	0	0	0	0	0	109.2	Q90 E94	Q90-G92 PolarHBondContact O-N 3.49Å; Q90-G92 VanDerWaalsContact O-N 3.14Å; G92-E94 PolarHBondContact O-N 3.42Å
93	K	29	Very low	43	Very low	204 Å²	204	118.6 Å²	118.6	89%	0.887	68%	0.678	S	S	*	*			trans	-55.1	108.8	169.9	-88.8	177.5	173.2	177.3	0	109	T95	K93-T95 PolarHBondContact O-N 3.31Å; K93-T95 PolarHBondContact O-OG1 3.48Å
94	E	38.1	Very low	45.4	Very low	191 Å²	191	122.7 Å²	122.7	89%	0.893	69%	0.688	S	S	*	*			trans	-60.9	103.8	174.6	-166	170.3	-161.4	0	0	108.5	G92 Q96	G92-E94 PolarHBondContact O-N 3.42Å; E94-Q96 PolarHBondContact O-N 3.19Å
95	T	42.4	Very low	48	Very low	130 Å²	130	117 Å²	117	80%	0.798	67%	0.669	S	S	*	*			trans	-76.2	113.4	-178.6	-25.6	0	0	0	0	106.9	K93	K93-T95 PolarHBondContact O-N 3.31Å; K93-T95 PolarHBondContact O-OG1 3.48Å
96	Q	48	Very low	51.1	Low	141 Å²	141	111.8 Å²	111.8	66%	0.659	64%	0.64	S	S	*	*			trans	-56.4	138.7	176.4	-77.2	-162.4	-23.3	0	0	110	E94 Q98	E94-Q96 PolarHBondContact O-N 3.19Å; Q96-Q98 PolarHBondContact O-N 3.02Å
97	P	50.8	Low	54.3	Low	37 Å²	37	105.6 Å²	105.6	24%	0.24	61%	0.606	C	S	.	*			trans	-58.9	109.8	176.9	-10.3	17.3	0	0	0	110	I114	P97-I114 HydrophobicContact CB-CB 4.38Å; P97-I114 HydrophobicContact CB-CG2 3.49Å; P97-I114 VanDerWaalsContact CB-CG2 3.49Å; P97-I114 HydrophobicContact CG-CG2 3.87Å
98	Q	50	Low	57.3	Low	134 Å²	134	104.2 Å²	104.2	63%	0.626	59%	0.59	S	S	*	*			trans	-77.7	133.5	174.5	-73.8	-78.2	-67.9	0	0	109.4	Q96 S100 N149	Q96-Q98 PolarHBondContact O-N 3.02Å; Q98-S100 PolarHBondContact O-N 3.44Å; Q98-N149 PolarHBondContact O-ND2 3.33Å; Q98-N149 PolarHBondContact O-OD1 3.47Å
99	P	54.3	Low	60.5	Low	68 Å²	68	96.2 Å²	96.2	44%	0.442	55%	0.547	S	S	.	.			trans	-58.1	134.6	173.3	-21	31.8	0	0	0	111.3
100	S	58.8	Low	63.8	Low	38 Å²	38	93.1 Å²	93.1	27%	0.266	53%	0.526	S	S	.	.			trans	-102.6	174.9	179.2	57	0	0	0	0	112.1	Q98 T102 N149	Q98-S100 PolarHBondContact O-N 3.44Å; S100-T102 PolarHBondContact O-N 3.14Å; S100-N149 PolarHBondContact OG-O 3.08Å
101	S	67.4	Low	66.9	Low	93 Å²	93	85.4 Å²	85.4	65%	0.65	50%	0.495	S	S	*	.			trans	-57.1	111.5	177.4	55.4	0	0	0	0	110.9	S153	S101-S153 PolarHBondContact O-OG 3.41Å
102	T	77.1	Confident	70.2	Confident	50 Å²	50	82.5 Å²	82.5	31%	0.307	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-83.1	133.3	176.1	-60.5	0	0	0	0	108.8	S100 A106 S108	S100-T102 PolarHBondContact O-N 3.14Å; T102-A106 HydrophobicContact CG2-CB 3.93Å; T102-A106 WeakPolarHBondContact CG2-O 3.25Å; T102-S108 VanDerWaalsContact OG1-CA 3.32Å; T102-S108 WeakPolarHBondContact OG1-CA 3.48Å; T102-S108 WeakPolarHBondContact OG1-CB 3.34Å; T102-S108 PolarHBondContact OG1-OG 2.95Å
103	A	80.5	Confident	73.2	Confident	27 Å²	27	79.1 Å²	79.1	22%	0.223	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-66.1	145.6	176.8	0	0	0	0	0	111	G105 A106 S156 A157	A103-G105 PolarHBondContact O-N 3.12Å; A103-A106 PolarHBondContact O-N 2.92Å; A103-S156 PolarHBondContact N-OG 3.16Å; A103-A157 VanDerWaalsContact CB-CA 3.48Å; A103-A157 HydrophobicContact CB-CB 3.86Å
104	Q	82.9	Confident	76.6	Confident	198 Å²	198	69.6 Å²	69.6	93%	0.925	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	128	174.4	-171.2	174.8	16.3	0	0	110.2	A160	Q104-A160 WeakPolarHBondContact O-CB 3.24Å
105	G	86.1	Confident	79.4	Confident	52 Å²	52	65.5 Å²	65.5	54%	0.536	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.7	-14.2	-176.9	0	0	0	0	0	114.9	A103	A103-G105 PolarHBondContact O-N 3.12Å
106	A	94.1	Very high	82.1	Confident	17 Å²	17	61.1 Å²	61.1	14%	0.14	35%	0.353	C	S	.	.	S	Bend	trans	-91.8	159.2	167	0	0	0	0	0	111.5	T102 A103 S156 A160 A249	T102-A106 HydrophobicContact CG2-CB 3.93Å; T102-A106 WeakPolarHBondContact CG2-O 3.25Å; A103-A106 PolarHBondContact O-N 2.92Å; A106-S156 WeakPolarHBondContact CB-O 3.32Å; A106-S156 WeakPolarHBondContact CB-OG 3.4Å; A106-A160 HydrophobicContact CB-CB 4.22Å; A106-A249 HydrophobicContact CB-CB 4.42Å
107	I	95.2	Very high	84.5	Confident	41 Å²	41	54.4 Å²	54.4	21%	0.21	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-88.7	131.3	176.2	-56.9	174.7	0	0	0	108.6	L109 L195 L201 I248 L250	I107-L109 PolarHBondContact O-N 3.27Å; I107-L195 HydrophobicContact CD1-CB 3.72Å; I107-L195 HydrophobicContact CD1-CD1 3.72Å; I107-L195 HydrophobicContact CD1-CG 4.41Å; I107-L201 HydrophobicContact CD1-CD2 4.12Å; I107-L201 HydrophobicContact CG2-CD1 4.15Å; I107-L201 HydrophobicContact CG2-CD2 4.11Å; I107-I248 HydrophobicContact CB-CG2 3.96Å; I107-I248 HydrophobicContact CD1-CG2 4.42Å; I107-I248 PolarHBondContact N-O 2.84Å; I107-L250 HydrophobicContact CD1-CB 4.23Å
108	S	95.3	Very high	86.8	Confident	69 Å²	69	54 Å²	54	48%	0.483	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-72.2	126.6	174.5	-177.7	0	0	0	0	109.7	T102	T102-S108 VanDerWaalsContact OG1-CA 3.32Å; T102-S108 WeakPolarHBondContact OG1-CA 3.48Å; T102-S108 WeakPolarHBondContact OG1-CB 3.34Å; T102-S108 PolarHBondContact OG1-OG 2.95Å
109	L	96.9	Very high	89.2	Confident	11 Å²	11	52 Å²	52	6%	0.058	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-84.1	130.5	178.3	-55.8	-174.3	0	0	0	110.1	I107 V113 I114 W147 F205 I248	I107-L109 PolarHBondContact O-N 3.27Å; L109-V113 HydrophobicContact CB-CB 4.41Å; L109-V113 HydrophobicContact CB-CG1 4.4Å; L109-V113 HydrophobicContact CD2-CG1 3.94Å; L109-I114 HydrophobicContact CB-CD1 4.32Å; L109-I114 HydrophobicContact CB-CG1 3.78Å; L109-I114 HydrophobicContact CD1-CG1 4.44Å; L109-W147 HydrophobicContact CD1-CH2 4.17Å; L109-W147 HydrophobicContact CD1-CZ2 4.44Å; L109-F205 HydrophobicContact CD1-CE2 4.1Å; L109-F205 HydrophobicContact CD1-CZ 3.93Å; L109-F205 HydrophobicContact CD2-CE2 3.86Å; L109-F205 HydrophobicContact CD2-CZ 4.24Å; L109-I248 HydrophobicContact CD2-CG2 3.6Å
110	S	96.9	Very high	91.3	Very high	32 Å²	32	50.2 Å²	50.2	22%	0.224	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-67.6	161.2	169.8	81.8	0	0	0	0	110.6	N112 V113 I114 D198	S110-N112 PolarHBondContact O-N 3.25Å; S110-N112 PolarHBondContact OG-N 3.35Å; S110-V113 PolarHBondContact O-N 3.18Å; S110-V113 VanDerWaalsContact O-N 3.1Å; S110-V113 WeakPolarHBondContact OG-CG2 3.16Å; S110-V113 PolarHBondContact OG-N 2.9Å; S110-V113 VanDerWaalsContact OG-N 3.16Å; S110-I114 WeakPolarHBondContact O-CG1 3.5Å; S110-I114 PolarHBondContact O-N 3.37Å; S110-D198 WeakPolarHBondContact CB-OD1 3.43Å; S110-D198 WeakPolarHBondContact CB-OD2 3.22Å; S110-D198 PolarHBondContact OG-OD1 3.03Å; S110-D198 VanDerWaalsContact OG-OD1 3.09Å; S110-D198 PolarHBondContact OG-OD2 3.19Å
111	A	97.8	Very high	93.2	Very high	32 Å²	32	48.5 Å²	48.5	26%	0.264	28%	0.281	S	S	.	.	H	α-helix	trans	-56.3	-32.2	173.2	0	0	0	0	0	112.3	K115	A111-K115 VanDerWaalsContact O-CB 3.26Å; A111-K115 WeakPolarHBondContact O-CB 3.23Å; A111-K115 PolarHBondContact O-N 3.04Å
112	N	98.3	Very high	94.7	Very high	97 Å²	97	44.5 Å²	44.5	52%	0.519	25%	0.253	S	S	.	.	H	α-helix	trans	-70.4	-38.7	177.6	-68.8	-30.5	0	0	0	112.5	S110 F116	S110-N112 PolarHBondContact O-N 3.25Å; S110-N112 PolarHBondContact OG-N 3.35Å; N112-F116 WeakPolarHBondContact O-CB 3.19Å; N112-F116 PolarHBondContact O-N 2.95Å
113	V	98.5	Very high	95.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-71.4	-39.9	176.1	179.7	0	0	0	0	110.5	L109 S110 F116 A117 D198 L201 K202 F205	L109-V113 HydrophobicContact CB-CB 4.41Å; L109-V113 HydrophobicContact CB-CG1 4.4Å; L109-V113 HydrophobicContact CD2-CG1 3.94Å; S110-V113 PolarHBondContact O-N 3.18Å; S110-V113 VanDerWaalsContact O-N 3.1Å; S110-V113 WeakPolarHBondContact OG-CG2 3.16Å; S110-V113 PolarHBondContact OG-N 2.9Å; S110-V113 VanDerWaalsContact OG-N 3.16Å; V113-F116 PolarHBondContact O-N 3.04Å; V113-A117 WeakPolarHBondContact O-CB 3.41Å; V113-A117 PolarHBondContact O-N 3.22Å; V113-D198 HydrophobicContact CG2-CB 3.95Å; V113-L201 HydrophobicContact CG1-CB 4.1Å; V113-L201 HydrophobicContact CG2-CB 4.03Å; V113-L201 HydrophobicContact CG2-CD1 4.17Å; V113-K202 HydrophobicContact CG2-CG 4.35Å; V113-F205 HydrophobicContact CG1-CD2 3.86Å; V113-F205 HydrophobicContact CG1-CE2 3.74Å
114	I	98.7	Very high	96.6	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-59.7	-49.8	174.2	-68.1	169.5	0	0	0	110.6	P97 L109 S110 F116 A117 L118 W147	P97-I114 HydrophobicContact CB-CB 4.38Å; P97-I114 HydrophobicContact CB-CG2 3.49Å; P97-I114 VanDerWaalsContact CB-CG2 3.49Å; P97-I114 HydrophobicContact CG-CG2 3.87Å; L109-I114 HydrophobicContact CB-CD1 4.32Å; L109-I114 HydrophobicContact CB-CG1 3.78Å; L109-I114 HydrophobicContact CD1-CG1 4.44Å; S110-I114 WeakPolarHBondContact O-CG1 3.5Å; S110-I114 PolarHBondContact O-N 3.37Å; I114-F116 PolarHBondContact O-N 3.07Å; I114-A117 PolarHBondContact O-N 3.36Å; I114-L118 PolarHBondContact O-N 3.27Å; I114-W147 HydrophobicContact CB-CZ2 4.41Å; I114-W147 HydrophobicContact CD1-CZ2 4.35Å; I114-W147 HydrophobicContact CG1-CH2 4.31Å; I114-W147 HydrophobicContact CG1-CZ2 3.82Å; I114-W147 HydrophobicContact CG2-CB 4.31Å; I114-W147 HydrophobicContact CG2-CD2 3.39Å; I114-W147 VanDerWaalsContact CG2-CE2 3.48Å; I114-W147 HydrophobicContact CG2-CE3 3.83Å; I114-W147 HydrophobicContact CG2-CG 3.61Å; I114-W147 HydrophobicContact CG2-CH2 4.3Å; I114-W147 HydrophobicContact CG2-CZ2 3.96Å; I114-W147 HydrophobicContact CG2-CZ3 4.26Å
115	K	98.7	Very high	97.3	Very high	104 Å²	104	35.2 Å²	35.2	45%	0.452	20%	0.203	S	C	.	.	H	α-helix	trans	-56.4	-50.1	177.3	179.9	178.3	176.7	-179.7	0	111	A111 A117 L118 E119	A111-K115 VanDerWaalsContact O-CB 3.26Å; A111-K115 WeakPolarHBondContact O-CB 3.23Å; A111-K115 PolarHBondContact O-N 3.04Å; K115-A117 VanDerWaalsContact C-N 3.33Å; K115-A117 PolarHBondContact O-N 2.86Å; K115-L118 PolarHBondContact O-N 3.11Å; K115-E119 VanDerWaalsContact CE-CD 3.4Å; K115-E119 WeakPolarHBondContact CE-OE1 3.29Å; K115-E119 WeakPolarHBondContact CE-OE2 3.33Å; K115-E119 HydrophobicContact CG-CG 4.24Å; K115-E119 IonicContact NZ-OE1 3.65Å; K115-E119 WeakPolarHBondContact O-CB 3.49Å; K115-E119 WeakPolarHBondContact O-CG 3.46Å; K115-E119 PolarHBondContact O-N 2.8Å
116	F	98.8	Very high	97.9	Very high	38 Å²	38	34.9 Å²	34.9	17%	0.167	19%	0.187	C	C	.	.	H	α-helix	trans	-55.2	-48.2	176.1	171	-95.4	0	0	0	111.9	N112 V113 I114 L118 E119 E120 K202 F205 Q206	N112-F116 WeakPolarHBondContact O-CB 3.19Å; N112-F116 PolarHBondContact O-N 2.95Å; V113-F116 PolarHBondContact O-N 3.04Å; I114-F116 PolarHBondContact O-N 3.07Å; F116-L118 VanDerWaalsContact C-N 3.31Å; F116-L118 PolarHBondContact O-N 2.88Å; F116-E119 PolarHBondContact O-N 3.43Å; F116-E120 HydrophobicContact CZ-CB 4.49Å; F116-E120 HydrophobicContact CZ-CG 4.49Å; F116-E120 WeakPolarHBondContact O-CB 3.36Å; F116-E120 PolarHBondContact O-N 3.41Å; F116-K202 HydrophobicContact CB-CD 4.18Å; F116-K202 HydrophobicContact CB-CG 3.96Å; F116-K202 HydrophobicContact CD1-CB 3.95Å; F116-K202 HydrophobicContact CD1-CG 3.75Å; F116-K202 HydrophobicContact CD2-CB 4.44Å; F116-K202 HydrophobicContact CD2-CD 4.25Å; F116-K202 HydrophobicContact CD2-CG 4.21Å; F116-K202 HydrophobicContact CE1-CB 4.03Å; F116-K202 HydrophobicContact CE1-CG 4.35Å; F116-K202 VanDerWaalsContact CE1-O 3.27Å; F116-K202 WeakPolarHBondContact CE1-O 3.29Å; F116-K202 HydrophobicContact CG-CB 4.17Å; F116-K202 HydrophobicContact CG-CD 4.09Å; F116-K202 HydrophobicContact CG-CG 3.68Å; F116-K202 HydrophobicContact CZ-CB 4.33Å; F116-F205 HydrophobicContact CD1-CB 4.38Å; F116-F205 HydrophobicContact CE1-CB 3.9Å; F116-Q206 HydrophobicContact CE1-CB 4.36Å; F116-Q206 HydrophobicContact CZ-CB 3.83Å; F116-Q206 HydrophobicContact CZ-CG 4.26Å
117	A	98.8	Very high	98.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-39.1	-175.9	0	0	0	0	0	112.8	V113 I114 K115 H121 W147 F209	V113-A117 WeakPolarHBondContact O-CB 3.41Å; V113-A117 PolarHBondContact O-N 3.22Å; I114-A117 PolarHBondContact O-N 3.36Å; K115-A117 VanDerWaalsContact C-N 3.33Å; K115-A117 PolarHBondContact O-N 2.86Å; A117-H121 PolarHBondContact O-N 3.16Å; A117-H121 PolarHBondContact O-ND1 2.97Å; A117-W147 HydrophobicContact CB-CZ3 4.24Å; A117-F209 HydrophobicContact CB-CE2 4.16Å; A117-F209 HydrophobicContact CB-CZ 4.14Å
118	L	98.8	Very high	98.3	Very high	28 Å²	28	36 Å²	36	15%	0.147	19%	0.187	C	C	.	.	H	α-helix	trans	-70.4	-49.6	177.1	-175.5	66.2	0	0	0	112.3	I114 K115 F116 E120 H121 N122 L145 W147 L244	I114-L118 PolarHBondContact O-N 3.27Å; K115-L118 PolarHBondContact O-N 3.11Å; F116-L118 VanDerWaalsContact C-N 3.31Å; F116-L118 PolarHBondContact O-N 2.88Å; L118-E120 VanDerWaalsContact C-N 3.31Å; L118-E120 PolarHBondContact O-N 2.95Å; L118-H121 PolarHBondContact O-N 2.97Å; L118-N122 PolarHBondContact O-N 3.49Å; L118-N122 PolarHBondContact O-ND2 3.01Å; L118-L145 HydrophobicContact CD1-CB 4.04Å; L118-L145 WeakPolarHBondContact CD1-O 3.45Å; L118-W147 HydrophobicContact CD2-CB 4.18Å; L118-L244 HydrophobicContact CD1-CB 4.21Å; L118-L244 HydrophobicContact CD1-CD2 4.09Å
119	E	98.7	Very high	98.4	Very high	92 Å²	92	33 Å²	33	43%	0.43	17%	0.167	S	C	.	.	H	α-helix	trans	-61.2	-42.4	-178.7	-74.7	179.5	158.9	0	0	110.9	K115 F116 H121 N122 N123	K115-E119 VanDerWaalsContact CE-CD 3.4Å; K115-E119 WeakPolarHBondContact CE-OE1 3.29Å; K115-E119 WeakPolarHBondContact CE-OE2 3.33Å; K115-E119 HydrophobicContact CG-CG 4.24Å; K115-E119 IonicContact NZ-OE1 3.65Å; K115-E119 WeakPolarHBondContact O-CB 3.49Å; K115-E119 WeakPolarHBondContact O-CG 3.46Å; K115-E119 PolarHBondContact O-N 2.8Å; F116-E119 PolarHBondContact O-N 3.43Å; E119-H121 PolarHBondContact O-N 2.82Å; E119-N122 CarbonylContact O-C 3.56Å; E119-N122 PolarHBondContact O-N 3.35Å; E119-N123 WeakPolarHBondContact O-CB 3.45Å; E119-N123 PolarHBondContact O-N 3.16Å; E119-N123 PolarHBondContact O-ND2 3.24Å
120	E	98.8	Very high	98.5	Very high	32 Å²	32	36.1 Å²	36.1	15%	0.15	18%	0.18	C	C	.	.	H	α-helix	trans	-67.6	-38	-178.1	-166.4	62.5	-177.8	0	0	112.3	F116 L118 N123 Y124 F209	F116-E120 HydrophobicContact CZ-CB 4.49Å; F116-E120 HydrophobicContact CZ-CG 4.49Å; F116-E120 WeakPolarHBondContact O-CB 3.36Å; F116-E120 PolarHBondContact O-N 3.41Å; L118-E120 VanDerWaalsContact C-N 3.31Å; L118-E120 PolarHBondContact O-N 2.95Å; E120-N123 WeakPolarHBondContact O-CB 3.43Å; E120-N123 PolarHBondContact O-N 3.24Å; E120-N123 PolarHBondContact OE2-ND2 2.92Å; E120-Y124 HydrophobicContact CG-CD2 4.27Å; E120-Y124 HydrophobicContact CG-CE2 3.86Å; E120-Y124 WeakPolarHBondContact O-CD2 3.47Å; E120-Y124 PolarHBondContact O-N 2.95Å; E120-F209 HydrophobicContact CB-CD2 4.15Å; E120-F209 HydrophobicContact CG-CD2 4.07Å
121	H	98.7	Very high	98.5	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-59.6	-47.7	169.9	-87.4	84.3	0	0	0	112.2	A117 L118 E119 N123 Y124 R125 L145 F209 L244 Y271	A117-H121 PolarHBondContact O-N 3.16Å; A117-H121 PolarHBondContact O-ND1 2.97Å; L118-H121 PolarHBondContact O-N 2.97Å; E119-H121 PolarHBondContact O-N 2.82Å; H121-N123 VanDerWaalsContact C-N 3.29Å; H121-N123 PolarHBondContact O-N 2.81Å; H121-Y124 PolarHBondContact O-N 3.43Å; H121-R125 WeakPolarHBondContact O-CG 3.48Å; H121-R125 PolarHBondContact O-N 2.9Å; H121-L145 HydrophobicContact CB-CD1 4.05Å; H121-F209 AromaticContact CE1-CD1 3.7Å; H121-F209 AromaticContact CE1-CE1 3.38Å; H121-F209 WeakPolarHBondContact CE1-CE1 3.09Å; H121-F209 AromaticContact CE1-CE2 3.73Å; H121-F209 AromaticContact CE1-CZ 3.38Å; H121-F209 WeakPolarHBondContact CE1-CZ 3.16Å; H121-F209 AromaticContact ND1-CD2 3.98Å; H121-F209 AromaticContact ND1-CE2 3.64Å; H121-F209 AromaticContact ND1-CZ 3.72Å; H121-L244 HydrophobicContact CB-CD2 4Å; H121-L244 WeakPolarHBondContact ND1-CD2 3.47Å; H121-Y271 AromaticContact CD2-CE1 3.71Å; H121-Y271 AromaticContact NE2-CE1 3.61Å; H121-Y271 AromaticContact NE2-CZ 3.57Å; H121-Y271 PolarHBondContact NE2-OH 2.9Å
122	N	98.8	Very high	98.5	Very high	10 Å²	10	40.8 Å²	40.8	5%	0.053	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-31.8	178.7	-77.9	-35.9	0	0	0	112.1	L118 E119 R125 K126 L145 L302	L118-N122 PolarHBondContact O-N 3.49Å; L118-N122 PolarHBondContact O-ND2 3.01Å; E119-N122 CarbonylContact O-C 3.56Å; E119-N122 PolarHBondContact O-N 3.35Å; N122-R125 PolarHBondContact O-N 3.21Å; N122-K126 WeakPolarHBondContact O-CB 3.09Å; N122-K126 VanDerWaalsContact O-CG 3.27Å; N122-K126 WeakPolarHBondContact O-CG 3.48Å; N122-K126 PolarHBondContact O-N 3.46Å; N122-L145 PolarHBondContact ND2-O 3.42Å; N122-L145 PolarHBondContact OD1-N 3.14Å; N122-L302 HydrophobicContact CB-CD1 4.18Å
123	N	98.7	Very high	98.5	Very high	65 Å²	65	36.5 Å²	36.5	35%	0.348	18%	0.18	S	C	.	.	H	α-helix	trans	-62.2	-44	172.2	-71.4	-23.5	0	0	0	111.4	E119 E120 H121 K126 K127	E119-N123 WeakPolarHBondContact O-CB 3.45Å; E119-N123 PolarHBondContact O-N 3.16Å; E119-N123 PolarHBondContact O-ND2 3.24Å; E120-N123 WeakPolarHBondContact O-CB 3.43Å; E120-N123 PolarHBondContact O-N 3.24Å; E120-N123 PolarHBondContact OE2-ND2 2.92Å; H121-N123 VanDerWaalsContact C-N 3.29Å; H121-N123 PolarHBondContact O-N 2.81Å; N123-K126 WeakPolarHBondContact O-CB 3.31Å; N123-K126 PolarHBondContact O-N 2.81Å; N123-K127 WeakPolarHBondContact O-CG 3.46Å; N123-K127 PolarHBondContact O-N 3.41Å
124	Y	98.8	Very high	98.5	Very high	15 Å²	15	40 Å²	40	6%	0.059	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-42.7	174.1	-77.2	-57.4	0	0	0	112.7	E120 H121 K126 K127 V128 F209 K210 F213 M236	E120-Y124 HydrophobicContact CG-CD2 4.27Å; E120-Y124 HydrophobicContact CG-CE2 3.86Å; E120-Y124 WeakPolarHBondContact O-CD2 3.47Å; E120-Y124 PolarHBondContact O-N 2.95Å; H121-Y124 PolarHBondContact O-N 3.43Å; Y124-K126 VanDerWaalsContact C-N 3.32Å; Y124-K126 PolarHBondContact O-N 3.48Å; Y124-K127 HydrophobicContact CD1-CD 4.15Å; Y124-K127 WeakPolarHBondContact O-CB 3.33Å; Y124-K127 PolarHBondContact O-N 2.98Å; Y124-V128 PolarHBondContact O-N 3.47Å; Y124-F209 HydrophobicContact CE2-CB 3.86Å; Y124-K210 VanDerWaalsContact OH-CA 3.31Å; Y124-K210 WeakPolarHBondContact OH-CA 3.5Å; Y124-F213 HydrophobicContact CD1-CB 3.89Å; Y124-F213 AromaticContact CD1-CD1 3.49Å; Y124-F213 HydrophobicContact CD1-CD1 3.49Å; Y124-F213 VanDerWaalsContact CD1-CD1 3.49Å; Y124-F213 AromaticContact CD1-CD2 3.24Å; Y124-F213 HydrophobicContact CD1-CD2 3.24Å; Y124-F213 AromaticContact CD1-CE1 3.69Å; Y124-F213 HydrophobicContact CD1-CE1 3.69Å; Y124-F213 AromaticContact CD1-CE2 3.45Å; Y124-F213 HydrophobicContact CD1-CE2 3.45Å; Y124-F213 VanDerWaalsContact CD1-CE2 3.45Å; Y124-F213 AromaticContact CD1-CG 3.23Å; Y124-F213 HydrophobicContact CD1-CG 3.23Å; Y124-F213 AromaticContact CD1-CZ 3.65Å; Y124-F213 HydrophobicContact CD1-CZ 3.65Å; Y124-F213 HydrophobicContact CD2-CD2 4.44Å; Y124-F213 HydrophobicContact CE1-CB 3.73Å; Y124-F213 AromaticContact CE1-CD1 3.48Å; Y124-F213 HydrophobicContact CE1-CD1 3.48Å; Y124-F213 VanDerWaalsContact CE1-CD1 3.48Å; Y124-F213 AromaticContact CE1-CD2 3.97Å; Y124-F213 HydrophobicContact CE1-CD2 3.97Å; Y124-F213 AromaticContact CE1-CE1 3.99Å; Y124-F213 HydrophobicContact CE1-CE1 3.99Å; Y124-F213 HydrophobicContact CE1-CE2 4.42Å; Y124-F213 AromaticContact CE1-CG 3.44Å; Y124-F213 HydrophobicContact CE1-CG 3.44Å; Y124-F213 VanDerWaalsContact CE1-CG 3.44Å; Y124-F213 HydrophobicContact CE1-CZ 4.41Å; Y124-F213 HydrophobicContact CE2-CB 4.42Å; Y124-F213 HydrophobicContact CG-CB 4.29Å; Y124-F213 AromaticContact CG-CD2 3.52Å; Y124-F213 HydrophobicContact CG-CD2 3.52Å; Y124-F213 AromaticContact CG-CE2 3.86Å; Y124-F213 HydrophobicContact CG-CE2 3.86Å; Y124-F213 AromaticContact CG-CG 3.87Å; Y124-F213 HydrophobicContact CG-CG 3.87Å; Y124-F213 HydrophobicContact CG-CZ 4.47Å; Y124-M236 HydrophobicContact CD2-CE 3.57Å; Y124-M236 HydrophobicContact CE2-CE 4.14Å; Y124-M236 HydrophobicContact CG-CE 4.15Å
125	R	98.7	Very high	98.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-40.2	174.7	-67.9	172.1	75.1	83.5	-5.3	111.8	H121 N122 V128 A129 M142 N143 M236 K238 D239 S241 L302	H121-R125 WeakPolarHBondContact O-CG 3.48Å; H121-R125 PolarHBondContact O-N 2.9Å; N122-R125 PolarHBondContact O-N 3.21Å; R125-V128 PolarHBondContact O-N 3.16Å; R125-A129 PolarHBondContact O-N 3.29Å; R125-M142 HydrophobicContact CB-CG 3.87Å; R125-M142 HydrophobicContact CB-SD 4.09Å; R125-M142 HydrophobicContact CG-SD 4.12Å; R125-M142 PolarHBondContact NH2-SD 3.36Å; R125-N143 PolarHBondContact NE-O 3.15Å; R125-N143 PolarHBondContact NH2-O 2.88Å; R125-M236 WeakPolarHBondContact CG-O 3.09Å; R125-M236 PolarHBondContact NH1-O 3.42Å; R125-K238 PolarHBondContact NH1-O 3.02Å; R125-K238 PolarHBondContact NH2-O 2.63Å; R125-D239 PolarHBondContact NH2-O 2.75Å; R125-S241 PolarHBondContact NH2-O 2.96Å; R125-L302 HydrophobicContact CB-CD2 4.14Å
126	K	98.5	Very high	98.2	Very high	45 Å²	45	45 Å²	45	20%	0.196	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-41.3	172.9	-75.7	173.7	-173.9	-173.1	0	112.5	N122 N123 Y124 V128 A129 K130 D300 L302	N122-K126 WeakPolarHBondContact O-CB 3.09Å; N122-K126 VanDerWaalsContact O-CG 3.27Å; N122-K126 WeakPolarHBondContact O-CG 3.48Å; N122-K126 PolarHBondContact O-N 3.46Å; N123-K126 WeakPolarHBondContact O-CB 3.31Å; N123-K126 PolarHBondContact O-N 2.81Å; Y124-K126 VanDerWaalsContact C-N 3.32Å; Y124-K126 PolarHBondContact O-N 3.48Å; K126-V128 VanDerWaalsContact C-N 3.27Å; K126-V128 PolarHBondContact O-N 3.27Å; K126-A129 PolarHBondContact O-N 2.94Å; K126-K130 VanDerWaalsContact O-CB 3.32Å; K126-K130 WeakPolarHBondContact O-CB 3.49Å; K126-K130 VanDerWaalsContact O-CG 3.27Å; K126-K130 WeakPolarHBondContact O-CG 3.04Å; K126-K130 PolarHBondContact O-N 3.1Å; K126-D300 WeakPolarHBondContact CD-OD2 3.34Å; K126-D300 WeakPolarHBondContact CE-OD2 3.32Å; K126-D300 IonicContact NZ-OD2 2.7Å; K126-D300 PolarHBondContact NZ-OD2 3.23Å; K126-L302 HydrophobicContact CD-CD1 4.28Å; K126-L302 HydrophobicContact CG-CD1 3.77Å; K126-L302 HydrophobicContact CG-CD2 3.93Å; K126-L302 HydrophobicContact CG-CG 3.68Å
127	K	98.6	Very high	98.1	Very high	81 Å²	81	45.5 Å²	45.5	35%	0.352	23%	0.232	S	C	.	.	H	α-helix	trans	-57.7	-42.2	175.8	-73.9	172.3	-178.3	170.6	0	111.4	N123 Y124 G131 Q132 V133 F213	N123-K127 WeakPolarHBondContact O-CG 3.46Å; N123-K127 PolarHBondContact O-N 3.41Å; Y124-K127 HydrophobicContact CD1-CD 4.15Å; Y124-K127 WeakPolarHBondContact O-CB 3.33Å; Y124-K127 PolarHBondContact O-N 2.98Å; K127-G131 PolarHBondContact O-N 3.18Å; K127-Q132 WeakPolarHBondContact O-CB 3.48Å; K127-Q132 PolarHBondContact O-N 2.88Å; K127-V133 HydrophobicContact CB-CG2 4.25Å; K127-F213 HydrophobicContact CB-CZ 4.39Å
128	V	98.4	Very high	98.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-66	-46.9	174	178.5	0	0	0	0	111.4	Y124 R125 K126 K130 G131 V133 A138 A139 M142 F213 I237 Y283	Y124-V128 PolarHBondContact O-N 3.47Å; R125-V128 PolarHBondContact O-N 3.16Å; K126-V128 VanDerWaalsContact C-N 3.27Å; K126-V128 PolarHBondContact O-N 3.27Å; V128-K130 VanDerWaalsContact C-N 3.25Å; V128-K130 PolarHBondContact O-N 2.64Å; V128-G131 PolarHBondContact O-N 3.09Å; V128-V133 HydrophobicContact CG2-CG2 3.79Å; V128-A138 WeakPolarHBondContact O-CA 3.24Å; V128-A139 HydrophobicContact CG1-CB 3.98Å; V128-A139 PolarHBondContact O-N 3.35Å; V128-M142 HydrophobicContact CG1-CE 4.22Å; V128-F213 HydrophobicContact CG2-CE2 4.15Å; V128-F213 HydrophobicContact CG2-CZ 4.38Å; V128-I237 HydrophobicContact CG2-CB 4.3Å; V128-I237 HydrophobicContact CG2-CG2 3.66Å; V128-Y283 HydrophobicContact CG1-CD1 4.02Å; V128-Y283 HydrophobicContact CG1-CE1 3.43Å; V128-Y283 VanDerWaalsContact CG1-CE1 3.43Å; V128-Y283 HydrophobicContact CG1-CE2 4.08Å; V128-Y283 VanDerWaalsContact CG1-CZ 3.43Å
129	A	98.2	Very high	98	Very high	6 Å²	6	46.4 Å²	46.4	5%	0.05	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-30	179.5	0	0	0	0	0	113.4	R125 K126 G131 A139 M142	R125-A129 PolarHBondContact O-N 3.29Å; K126-A129 PolarHBondContact O-N 2.94Å; A129-G131 VanDerWaalsContact C-N 3.28Å; A129-G131 PolarHBondContact O-N 3.47Å; A129-A139 WeakPolarHBondContact CA-O 3.33Å; A129-A139 HydrophobicContact CB-CB 4.36Å; A129-M142 HydrophobicContact CB-CB 4.32Å
130	K	97.6	Very high	97.9	Very high	76 Å²	76	43.1 Å²	43.1	33%	0.33	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-2.2	174.3	-70	174.6	179.6	179.1	0	113.5	K126 V128 Q132 D300 Y301	K126-K130 VanDerWaalsContact O-CB 3.32Å; K126-K130 WeakPolarHBondContact O-CB 3.49Å; K126-K130 VanDerWaalsContact O-CG 3.27Å; K126-K130 WeakPolarHBondContact O-CG 3.04Å; K126-K130 PolarHBondContact O-N 3.1Å; V128-K130 VanDerWaalsContact C-N 3.25Å; V128-K130 PolarHBondContact O-N 2.64Å; K130-Q132 VanDerWaalsContact C-N 3.27Å; K130-Q132 HydrophobicContact CB-CG 3.76Å; K130-Q132 PolarHBondContact O-N 3.49Å; K130-D300 WeakPolarHBondContact CE-OD1 3.07Å; K130-D300 IonicContact NZ-OD1 2.89Å; K130-D300 PolarHBondContact NZ-OD1 3.4Å; K130-Y301 HydrophobicContact CD-CD2 4.19Å; K130-Y301 HydrophobicContact CD-CE2 4.36Å; K130-Y301 HydrophobicContact CG-CD1 4.02Å; K130-Y301 HydrophobicContact CG-CD2 3.76Å; K130-Y301 HydrophobicContact CG-CE1 4.24Å; K130-Y301 HydrophobicContact CG-CE2 4.01Å; K130-Y301 HydrophobicContact CG-CG 3.78Å
131	G	97.4	Very high	97.8	Very high	38 Å²	38	42.4 Å²	42.4	39%	0.392	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	67	25.6	-176.5	0	0	0	0	0	114	K127 V128 A129 V133	K127-G131 PolarHBondContact O-N 3.18Å; V128-G131 PolarHBondContact O-N 3.09Å; A129-G131 VanDerWaalsContact C-N 3.28Å; A129-G131 PolarHBondContact O-N 3.47Å; G131-V133 VanDerWaalsContact C-N 3.34Å
132	Q	98.3	Very high	97.8	Very high	124 Å²	124	42.3 Å²	42.3	58%	0.579	23%	0.227	S	C	*	.			trans	-89.7	-0	-175.3	-64.9	176.4	-28.4	0	0	113.3	K127 K130	K127-Q132 WeakPolarHBondContact O-CB 3.48Å; K127-Q132 PolarHBondContact O-N 2.88Å; K130-Q132 VanDerWaalsContact C-N 3.27Å; K130-Q132 HydrophobicContact CB-CG 3.76Å; K130-Q132 PolarHBondContact O-N 3.49Å
133	V	98.4	Very high	97.7	Very high	7 Å²	7	42 Å²	42	4%	0.042	23%	0.225	C	C	.	.	S	Bend	trans	-95.8	119.2	179.8	-175.4	0	0	0	0	109.2	K127 V128 G131 K135 M136 F213 Y216	K127-V133 HydrophobicContact CB-CG2 4.25Å; V128-V133 HydrophobicContact CG2-CG2 3.79Å; G131-V133 VanDerWaalsContact C-N 3.34Å; V133-K135 PolarHBondContact O-N 3.18Å; V133-M136 HydrophobicContact CB-CB 3.98Å; V133-M136 HydrophobicContact CB-CG 4.12Å; V133-M136 HydrophobicContact CG1-CB 4.04Å; V133-M136 HydrophobicContact CG1-CG 3.59Å; V133-M136 PolarHBondContact O-N 2.92Å; V133-F213 HydrophobicContact CG2-CE1 4.19Å; V133-F213 HydrophobicContact CG2-CZ 3.57Å; V133-Y216 HydrophobicContact CG1-CD1 4.19Å; V133-Y216 HydrophobicContact CG1-CD2 3.4Å; V133-Y216 HydrophobicContact CG1-CE2 3.84Å; V133-Y216 HydrophobicContact CG1-CG 3.61Å
134	P	97.9	Very high	97.7	Very high	74 Å²	74	41.7 Å²	41.7	48%	0.481	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	137.6	-177.6	-26.3	33.8	0	0	0	112.7	M136 Y216	P134-M136 PolarHBondContact O-N 2.94Å; P134-M136 VanDerWaalsContact O-N 3.1Å; P134-Y216 HydrophobicContact CB-CE2 4.23Å; P134-Y216 HydrophobicContact CG-CE2 4.23Å
135	K	95	Very high	97.7	Very high	195 Å²	195	41 Å²	41	85%	0.848	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	10.2	179.1	-54.3	177.9	179.8	176.2	0	115.2	V133	V133-K135 PolarHBondContact O-N 3.18Å
136	M	97	Very high	97.7	Very high	16 Å²	16	42.7 Å²	42.7	8%	0.079	23%	0.23	C	C	.	.			trans	-109.1	132.1	174.6	-63.3	-64.1	-61.8	0	0	109.2	V133 P134 Y219 F221 F233 Y283	V133-M136 HydrophobicContact CB-CB 3.98Å; V133-M136 HydrophobicContact CB-CG 4.12Å; V133-M136 HydrophobicContact CG1-CB 4.04Å; V133-M136 HydrophobicContact CG1-CG 3.59Å; V133-M136 PolarHBondContact O-N 2.92Å; P134-M136 PolarHBondContact O-N 2.94Å; P134-M136 VanDerWaalsContact O-N 3.1Å; M136-Y219 HydrophobicContact CE-CD1 3.79Å; M136-Y219 HydrophobicContact CE-CE1 3.94Å; M136-Y219 HydrophobicContact SD-CD1 3.96Å; M136-F221 HydrophobicContact CE-CB 3.99Å; M136-F221 HydrophobicContact CE-CD2 3.58Å; M136-F221 HydrophobicContact CE-CG 4.21Å; M136-F221 HydrophobicContact SD-CB 4.08Å; M136-F233 HydrophobicContact CE-CE1 3.75Å; M136-F233 HydrophobicContact CE-CZ 3.96Å; M136-F233 HydrophobicContact SD-CE1 4.28Å; M136-Y283 HydrophobicContact CE-CE1 4.03Å; M136-Y283 VanDerWaalsContact CE-OH 3.29Å; M136-Y283 WeakPolarHBondContact CE-OH 3.15Å
137	P	97.2	Very high	97.6	Very high	49 Å²	49	42 Å²	42	32%	0.318	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-65.7	152.7	172	28.3	-33.1	0	0	0	110.3	F221 Y283 T285	P137-F221 HydrophobicContact CG-CB 4.39Å; P137-F221 HydrophobicContact CG-CD1 3.43Å; P137-F221 VanDerWaalsContact CG-CD1 3.43Å; P137-F221 HydrophobicContact CG-CD2 4.1Å; P137-F221 HydrophobicContact CG-CE1 3.57Å; P137-F221 HydrophobicContact CG-CE2 4.22Å; P137-F221 HydrophobicContact CG-CG 3.71Å; P137-F221 HydrophobicContact CG-CZ 3.97Å; P137-Y283 HydrophobicContact CG-CE2 4.2Å; P137-Y283 VanDerWaalsContact O-CE2 3.26Å; P137-Y283 WeakPolarHBondContact O-CE2 3.45Å; P137-Y283 VanDerWaalsContact O-CZ 3.32Å; P137-Y283 PolarHBondContact O-OH 3.09Å; P137-T285 HydrophobicContact CB-CG2 3.75Å; P137-T285 HydrophobicContact CG-CG2 3.55Å
138	A	97.6	Very high	97.6	Very high	43 Å²	43	38.3 Å²	38.3	36%	0.355	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-64.5	136.8	174.2	0	0	0	0	0	110.7	V128	V128-A138 WeakPolarHBondContact O-CA 3.24Å
139	A	97.6	Very high	97.6	Very high	5 Å²	5	40.9 Å²	40.9	4%	0.041	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-75.8	128.8	170	0	0	0	0	0	110.3	V128 A129 M142 Y283 E284	V128-A139 HydrophobicContact CG1-CB 3.98Å; V128-A139 PolarHBondContact O-N 3.35Å; A129-A139 WeakPolarHBondContact CA-O 3.33Å; A129-A139 HydrophobicContact CB-CB 4.36Å; A139-M142 HydrophobicContact CB-CB 4.2Å; A139-M142 HydrophobicContact CB-CE 3.49Å; A139-M142 VanDerWaalsContact CB-CE 3.49Å; A139-Y283 VanDerWaalsContact CA-CD2 3.48Å; A139-Y283 HydrophobicContact CB-CD1 4.42Å; A139-Y283 HydrophobicContact CB-CD2 3.35Å; A139-Y283 HydrophobicContact CB-CE2 3.77Å; A139-Y283 HydrophobicContact CB-CG 3.68Å; A139-E284 WeakPolarHBondContact CA-O 3.4Å
140	T	96.5	Very high	97.5	Very high	23 Å²	23	46 Å²	46	14%	0.141	25%	0.246	C	C	.	.	S	Bend	trans	-97.1	-21.8	177.7	60.7	0	0	0	0	112.2	E284 A286 R298	T140-E284 PolarHBondContact N-O 3.01Å; T140-E284 WeakPolarHBondContact OG1-CG 3.28Å; T140-E284 PolarHBondContact OG1-O 3.27Å; T140-A286 VanDerWaalsContact CB-O 3.28Å; T140-A286 WeakPolarHBondContact CB-O 3.13Å; T140-A286 WeakPolarHBondContact CG2-O 3.41Å; T140-A286 PolarHBondContact OG1-O 2.76Å; T140-R298 PolarHBondContact O-NH2 3.4Å
141	V	96.4	Very high	97.6	Very high	16 Å²	16	42.4 Å²	42.4	10%	0.097	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-127.5	115.9	170.4	-175.1	0	0	0	0	108.1	D239 E284 K289 P292	V141-D239 VanDerWaalsContact O-CB 3.25Å; V141-D239 WeakPolarHBondContact O-CB 3.38Å; V141-E284 HydrophobicContact CB-CB 3.89Å; V141-E284 HydrophobicContact CB-CG 4.44Å; V141-E284 HydrophobicContact CG2-CB 3.98Å; V141-E284 HydrophobicContact CG2-CG 3.98Å; V141-K289 HydrophobicContact CG2-CB 3.79Å; V141-P292 HydrophobicContact CG1-CG 4.43Å
142	M	97.9	Very high	97.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.			trans	-146.4	107.7	-179.2	-177.6	63.8	62.9	0	0	108.7	R125 V128 A129 A139 E144 I237 D239 Y283 L302 C303	R125-M142 HydrophobicContact CB-CG 3.87Å; R125-M142 HydrophobicContact CB-SD 4.09Å; R125-M142 HydrophobicContact CG-SD 4.12Å; R125-M142 PolarHBondContact NH2-SD 3.36Å; V128-M142 HydrophobicContact CG1-CE 4.22Å; A129-M142 HydrophobicContact CB-CB 4.32Å; A139-M142 HydrophobicContact CB-CB 4.2Å; A139-M142 HydrophobicContact CB-CE 3.49Å; A139-M142 VanDerWaalsContact CB-CE 3.49Å; M142-E144 PolarHBondContact O-N 3.5Å; M142-I237 WeakPolarHBondContact CE-O 3.42Å; M142-D239 HydrophobicContact SD-CB 4.49Å; M142-Y283 HydrophobicContact CE-CD1 4Å; M142-Y283 HydrophobicContact CE-CG 3.98Å; M142-L302 HydrophobicContact CB-CD2 4.05Å; M142-L302 HydrophobicContact CG-CD2 3.63Å; M142-L302 CarbonylContact O-C 3.53Å; M142-L302 WeakPolarHBondContact O-CA 3.32Å; M142-C303 PolarHBondContact O-N 3.42Å
143	N	97.6	Very high	97.6	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-64.3	138.5	178.8	-71.2	-21.4	0	0	0	110.9	R125 D239 S241 P292 R295 C303	R125-N143 PolarHBondContact NE-O 3.15Å; R125-N143 PolarHBondContact NH2-O 2.88Å; N143-D239 VanDerWaalsContact CB-O 3.28Å; N143-D239 WeakPolarHBondContact CB-O 3.34Å; N143-D239 VanDerWaalsContact CG-O 3.28Å; N143-D239 PolarHBondContact N-O 3.17Å; N143-D239 PolarHBondContact ND2-O 3.27Å; N143-D239 VanDerWaalsContact ND2-O 3.14Å; N143-S241 WeakPolarHBondContact CB-O 3.42Å; N143-P292 WeakPolarHBondContact OD1-CG 3.11Å; N143-R295 HydrophobicContact CB-CG 4.19Å; N143-C303 WeakPolarHBondContact OD1-CB 3.4Å
144	E	98.4	Very high	97.5	Very high	58 Å²	58	40.7 Å²	40.7	27%	0.271	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-66.6	132.1	160.4	177.2	-177.2	-114.2	0	0	108.9	M142 R295 L302 C303 T304	M142-E144 PolarHBondContact O-N 3.5Å; E144-R295 PolarHBondContact O-NH2 3.26Å; E144-L302 HydrophobicContact CB-CB 4.1Å; E144-L302 HydrophobicContact CB-CD1 3.93Å; E144-L302 HydrophobicContact CG-CD1 4.22Å; E144-C303 PolarHBondContact N-O 2.92Å; E144-T304 HydrophobicContact CB-CG2 3.81Å; E144-T304 HydrophobicContact CG-CG2 4.4Å; E144-T304 WeakPolarHBondContact OE2-CG2 3.5Å
145	L	98.5	Very high	97.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-77	137.5	170.7	-62.5	174.8	0	0	0	108.9	L118 H121 N122 S241 E242 L244 Y271	L118-L145 HydrophobicContact CD1-CB 4.04Å; L118-L145 WeakPolarHBondContact CD1-O 3.45Å; H121-L145 HydrophobicContact CB-CD1 4.05Å; N122-L145 PolarHBondContact ND2-O 3.42Å; N122-L145 PolarHBondContact OD1-N 3.14Å; L145-S241 WeakPolarHBondContact CD2-O 3.42Å; L145-E242 WeakPolarHBondContact CA-O 3.45Å; L145-L244 HydrophobicContact CB-CB 4.24Å; L145-L244 HydrophobicContact CD1-CB 4.25Å; L145-Y271 HydrophobicContact CD1-CD1 4.44Å; L145-Y271 HydrophobicContact CD1-CE1 4.49Å
146	T	97.9	Very high	97.7	Very high	35 Å²	35	28.2 Å²	28.2	22%	0.215	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	152.7	163.5	53.1	0	0	0	0	110.6	E242 K243 L244 R295	T146-E242 PolarHBondContact N-O 3.24Å; T146-K243 CarbonylContact O-C 3.51Å; T146-K243 VanDerWaalsContact O-CA 3.3Å; T146-K243 WeakPolarHBondContact O-CA 3.32Å; T146-K243 PolarHBondContact OG1-NZ 3.24Å; T146-L244 PolarHBondContact O-N 3.12Å; T146-R295 VanDerWaalsContact CG2-NH2 3.3Å; T146-R295 PolarHBondContact OG1-NH2 3.31Å
147	W	98.4	Very high	97.7	Very high	31 Å²	31	29.4 Å²	29.4	12%	0.117	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	137.8	178.5	-170.4	-100.2	0	0	0	111.1	L109 I114 A117 L118 N149 A152 L244 C246	L109-W147 HydrophobicContact CD1-CH2 4.17Å; L109-W147 HydrophobicContact CD1-CZ2 4.44Å; I114-W147 HydrophobicContact CB-CZ2 4.41Å; I114-W147 HydrophobicContact CD1-CZ2 4.35Å; I114-W147 HydrophobicContact CG1-CH2 4.31Å; I114-W147 HydrophobicContact CG1-CZ2 3.82Å; I114-W147 HydrophobicContact CG2-CB 4.31Å; I114-W147 HydrophobicContact CG2-CD2 3.39Å; I114-W147 VanDerWaalsContact CG2-CE2 3.48Å; I114-W147 HydrophobicContact CG2-CE3 3.83Å; I114-W147 HydrophobicContact CG2-CG 3.61Å; I114-W147 HydrophobicContact CG2-CH2 4.3Å; I114-W147 HydrophobicContact CG2-CZ2 3.96Å; I114-W147 HydrophobicContact CG2-CZ3 4.26Å; A117-W147 HydrophobicContact CB-CZ3 4.24Å; L118-W147 HydrophobicContact CD2-CB 4.18Å; W147-N149 VanDerWaalsContact CD1-OD1 3.32Å; W147-N149 PolarHBondContact NE1-OD1 3.42Å; W147-N149 VanDerWaalsContact NE1-OD1 3.08Å; W147-A152 HydrophobicContact CH2-CB 4.31Å; W147-A152 HydrophobicContact CZ2-CB 3.45Å; W147-A152 VanDerWaalsContact CZ2-CB 3.45Å; W147-L244 CarbonylContact C-O 3.48Å; W147-L244 WeakPolarHBondContact CA-O 3.48Å; W147-L244 HydrophobicContact CE3-CD2 4.44Å; W147-L244 HydrophobicContact CE3-CG 4.36Å; W147-L244 HydrophobicContact CZ3-CD2 4.37Å; W147-L244 HydrophobicContact CZ3-CG 4.31Å; W147-C246 HydrophobicContact CH2-CB 3.9Å; W147-C246 HydrophobicContact CZ3-CB 4.25Å
148	S	98.1	Very high	97.7	Very high	3 Å²	3	28 Å²	28	2%	0.021	16%	0.155	C	C	.	.			trans	-118.7	123	169.3	158.1	0	0	0	0	109.7	E150 I151 A152 E176 L244	S148-E150 PolarHBondContact OG-N 2.84Å; S148-I151 VanDerWaalsContact OG-CB 3.28Å; S148-I151 WeakPolarHBondContact OG-CB 3.46Å; S148-I151 VanDerWaalsContact OG-CG1 3.29Å; S148-I151 WeakPolarHBondContact OG-CG1 3.47Å; S148-I151 PolarHBondContact OG-N 2.91Å; S148-A152 WeakPolarHBondContact O-CB 3.43Å; S148-A152 PolarHBondContact O-N 3.49Å; S148-E176 VanDerWaalsContact CB-OE1 3.3Å; S148-E176 WeakPolarHBondContact CB-OE1 3.47Å; S148-E176 VanDerWaalsContact OG-CD 3.29Å; S148-E176 PolarHBondContact OG-OE1 3.18Å; S148-L244 PolarHBondContact N-O 3.03Å
149	N	97.6	Very high	97.7	Very high	54 Å²	54	26 Å²	26	29%	0.289	14%	0.138	S	C	.	.	H	α-helix	trans	-70.3	-36.2	176	-82.9	-18.7	0	0	0	112.6	Q98 S100 W147 A152 S153	Q98-N149 PolarHBondContact O-ND2 3.33Å; Q98-N149 PolarHBondContact O-OD1 3.47Å; S100-N149 PolarHBondContact OG-O 3.08Å; W147-N149 VanDerWaalsContact CD1-OD1 3.32Å; W147-N149 PolarHBondContact NE1-OD1 3.42Å; W147-N149 VanDerWaalsContact NE1-OD1 3.08Å; N149-A152 PolarHBondContact O-N 3Å; N149-S153 WeakPolarHBondContact O-CB 3.33Å; N149-S153 PolarHBondContact O-N 3.25Å
150	E	97.4	Very high	97.7	Very high	114 Å²	114	27 Å²	27	53%	0.533	15%	0.147	S	C	.	.	H	α-helix	trans	-67.1	-45.2	177.6	-63.6	-173.4	-168.3	0	0	111.2	S148 S153 K154 L175 E176	S148-E150 PolarHBondContact OG-N 2.84Å; E150-S153 PolarHBondContact O-N 3.22Å; E150-K154 WeakPolarHBondContact O-CG 3.18Å; E150-K154 PolarHBondContact O-N 2.73Å; E150-K154 VanDerWaalsContact O-N 3.15Å; E150-L175 HydrophobicContact CB-CD1 4.14Å; E150-E176 HydrophobicContact CB-CG 4.35Å
151	I	98.2	Very high	97.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.9	-42.7	175.8	-67.1	175.5	0	0	0	110.7	S148 K154 A155 L175 Y178 I181 K243 N270	S148-I151 VanDerWaalsContact OG-CB 3.28Å; S148-I151 WeakPolarHBondContact OG-CB 3.46Å; S148-I151 VanDerWaalsContact OG-CG1 3.29Å; S148-I151 WeakPolarHBondContact OG-CG1 3.47Å; S148-I151 PolarHBondContact OG-N 2.91Å; I151-K154 PolarHBondContact O-N 3.07Å; I151-A155 PolarHBondContact O-N 2.86Å; I151-L175 HydrophobicContact CB-CD2 4.43Å; I151-L175 HydrophobicContact CG1-CD2 3.79Å; I151-L175 HydrophobicContact CG1-CG 4.05Å; I151-Y178 HydrophobicContact CD1-CD2 4.47Å; I151-Y178 HydrophobicContact CD1-CE2 4.35Å; I151-I181 HydrophobicContact CD1-CD1 4.11Å; I151-I181 HydrophobicContact CG1-CD1 4.44Å; I151-K243 HydrophobicContact CD1-CB 3.6Å; I151-K243 HydrophobicContact CD1-CG 4.25Å; I151-N270 HydrophobicContact CG2-CB 3.31Å; I151-N270 WeakPolarHBondContact CG2-O 3.47Å
152	A	98.3	Very high	97.8	Very high	5 Å²	5	31.2 Å²	31.2	4%	0.041	17%	0.165	C	C	.	.	H	α-helix	trans	-63.6	-40.3	176.8	0	0	0	0	0	112.4	W147 S148 N149 K154 A155 S156	W147-A152 HydrophobicContact CH2-CB 4.31Å; W147-A152 HydrophobicContact CZ2-CB 3.45Å; W147-A152 VanDerWaalsContact CZ2-CB 3.45Å; S148-A152 WeakPolarHBondContact O-CB 3.43Å; S148-A152 PolarHBondContact O-N 3.49Å; N149-A152 PolarHBondContact O-N 3Å; A152-K154 VanDerWaalsContact C-N 3.31Å; A152-K154 PolarHBondContact O-N 3.15Å; A152-A155 PolarHBondContact O-N 2.95Å; A152-S156 VanDerWaalsContact O-CB 3.31Å; A152-S156 WeakPolarHBondContact O-CB 3.22Å; A152-S156 PolarHBondContact O-N 3.13Å
153	S	97.4	Very high	97.7	Very high	29 Å²	29	32.3 Å²	32.3	20%	0.203	17%	0.172	C	C	.	.	H	α-helix	trans	-61.4	-40.1	176.2	-174.3	0	0	0	0	111.4	S101 N149 E150 S156 A157	S101-S153 PolarHBondContact O-OG 3.41Å; N149-S153 WeakPolarHBondContact O-CB 3.33Å; N149-S153 PolarHBondContact O-N 3.25Å; E150-S153 PolarHBondContact O-N 3.22Å; S153-S156 WeakPolarHBondContact O-CB 3.48Å; S153-S156 PolarHBondContact O-N 3.49Å; S153-A157 WeakPolarHBondContact O-CB 3.49Å; S153-A157 PolarHBondContact O-N 3.49Å
154	K	97.3	Very high	97.6	Very high	99 Å²	99	34.4 Å²	34.4	43%	0.43	18%	0.182	S	C	.	.	H	α-helix	trans	-65.8	-42.8	173.2	-64.7	-52.8	-178.3	-175.8	0	112.8	E150 I151 A152 S156 A157 W158 Y172 L175	E150-K154 WeakPolarHBondContact O-CG 3.18Å; E150-K154 PolarHBondContact O-N 2.73Å; E150-K154 VanDerWaalsContact O-N 3.15Å; I151-K154 PolarHBondContact O-N 3.07Å; A152-K154 VanDerWaalsContact C-N 3.31Å; A152-K154 PolarHBondContact O-N 3.15Å; K154-S156 VanDerWaalsContact C-N 3.34Å; K154-S156 PolarHBondContact O-N 3.24Å; K154-A157 PolarHBondContact O-N 3.34Å; K154-W158 PolarHBondContact O-N 3Å; K154-Y172 HydrophobicContact CB-CD1 4.07Å; K154-Y172 HydrophobicContact CB-CE1 3.68Å; K154-Y172 HydrophobicContact CG-CD1 4.23Å; K154-Y172 HydrophobicContact CG-CE1 4.24Å; K154-L175 HydrophobicContact CB-CD2 4.23Å; K154-L175 HydrophobicContact CG-CD1 4.26Å; K154-L175 HydrophobicContact CG-CD2 3.69Å
155	A	98.4	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-42.1	175.2	0	0	0	0	0	111.8	I151 A152 W158 A159 V268 N270	I151-A155 PolarHBondContact O-N 2.86Å; A152-A155 PolarHBondContact O-N 2.95Å; A155-W158 PolarHBondContact O-N 2.85Å; A155-A159 WeakPolarHBondContact O-CB 3.43Å; A155-A159 PolarHBondContact O-N 3.4Å; A155-V268 HydrophobicContact CB-CB 4.1Å; A155-V268 HydrophobicContact CB-CG1 3.88Å; A155-N270 HydrophobicContact CB-CB 4.26Å
156	S	98	Very high	97.4	Very high	7 Å²	7	41.1 Å²	41.1	5%	0.049	22%	0.217	C	C	.	.	H	α-helix	trans	-59.5	-49	174.3	177.4	0	0	0	0	111.8	A103 A106 A152 S153 K154 W158 A159 A160	A103-S156 PolarHBondContact N-OG 3.16Å; A106-S156 WeakPolarHBondContact CB-O 3.32Å; A106-S156 WeakPolarHBondContact CB-OG 3.4Å; A152-S156 VanDerWaalsContact O-CB 3.31Å; A152-S156 WeakPolarHBondContact O-CB 3.22Å; A152-S156 PolarHBondContact O-N 3.13Å; S153-S156 WeakPolarHBondContact O-CB 3.48Å; S153-S156 PolarHBondContact O-N 3.49Å; K154-S156 VanDerWaalsContact C-N 3.34Å; K154-S156 PolarHBondContact O-N 3.24Å; S156-W158 VanDerWaalsContact C-N 3.27Å; S156-W158 PolarHBondContact O-N 3.43Å; S156-A159 PolarHBondContact O-N 3.14Å; S156-A160 PolarHBondContact O-N 3.12Å
157	A	97.4	Very high	97.3	Very high	42 Å²	42	40.5 Å²	40.5	35%	0.347	21%	0.213	S	C	.	.	H	α-helix	trans	-62.2	-33.6	175.9	0	0	0	0	0	112.9	A103 S153 K154	A103-A157 VanDerWaalsContact CB-CA 3.48Å; A103-A157 HydrophobicContact CB-CB 3.86Å; S153-A157 WeakPolarHBondContact O-CB 3.49Å; S153-A157 PolarHBondContact O-N 3.49Å; K154-A157 PolarHBondContact O-N 3.34Å
158	W	97.5	Very high	97.1	Very high	19 Å²	19	42.7 Å²	42.7	7%	0.072	23%	0.232	C	C	.	.	H	α-helix	trans	-72.1	-44	175.7	-158.5	-97.9	0	0	0	112	K154 A155 S156 A160 K161 N165 H166 S167 P168 Y171 Y172 V268	K154-W158 PolarHBondContact O-N 3Å; A155-W158 PolarHBondContact O-N 2.85Å; S156-W158 VanDerWaalsContact C-N 3.27Å; S156-W158 PolarHBondContact O-N 3.43Å; W158-A160 VanDerWaalsContact C-N 3.28Å; W158-A160 PolarHBondContact O-N 3.07Å; W158-K161 HydrophobicContact CD2-CD 4.36Å; W158-K161 HydrophobicContact CE3-CD 4.27Å; W158-K161 HydrophobicContact CH2-CD 4.42Å; W158-K161 HydrophobicContact CZ3-CD 4.37Å; W158-K161 WeakPolarHBondContact O-CB 3.35Å; W158-K161 PolarHBondContact O-N 2.83Å; W158-K161 VanDerWaalsContact O-N 3.16Å; W158-N165 PolarHBondContact NE1-O 2.86Å; W158-H166 WeakPolarHBondContact CZ2-O 3.44Å; W158-S167 VanDerWaalsContact CH2-CA 3.47Å; W158-P168 VanDerWaalsContact CH2-CD 3.46Å; W158-Y171 HydrophobicContact CE3-CD1 4.3Å; W158-Y171 AromaticContact CE3-CE1 3.83Å; W158-Y171 HydrophobicContact CE3-CE1 3.83Å; W158-Y171 HydrophobicContact CZ3-CD1 4.01Å; W158-Y171 AromaticContact CZ3-CE1 3.68Å; W158-Y171 HydrophobicContact CZ3-CE1 3.68Å; W158-Y171 HydrophobicContact CZ3-CE2 4.3Å; W158-Y171 HydrophobicContact CZ3-CG 4.48Å; W158-Y171 AromaticContact CZ3-CZ 3.84Å; W158-Y172 WeakPolarHBondContact CB-OH 3.2Å; W158-V268 HydrophobicContact CB-CG1 4.35Å; W158-V268 HydrophobicContact CB-CG2 4.32Å
159	A	98	Very high	96.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57.2	-42.4	175.9	0	0	0	0	0	111.7	A155 S156 K161 C162 A249 I266 V268	A155-A159 WeakPolarHBondContact O-CB 3.43Å; A155-A159 PolarHBondContact O-N 3.4Å; S156-A159 PolarHBondContact O-N 3.14Å; A159-K161 PolarHBondContact O-N 2.84Å; A159-C162 PolarHBondContact O-N 2.78Å; A159-A249 VanDerWaalsContact C-CB 3.5Å; A159-A249 HydrophobicContact CB-CB 3.89Å; A159-A249 WeakPolarHBondContact O-CB 3.49Å; A159-I266 HydrophobicContact CB-CG2 4.14Å; A159-I266 WeakPolarHBondContact O-CG2 3.33Å; A159-V268 HydrophobicContact CB-CB 4.41Å; A159-V268 HydrophobicContact CB-CG2 3.72Å
160	A	97.2	Very high	96.2	Very high	28 Å²	28	47.3 Å²	47.3	23%	0.231	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-17.6	-179.6	0	0	0	0	0	114.2	Q104 A106 S156 W158 C162	Q104-A160 WeakPolarHBondContact O-CB 3.24Å; A106-A160 HydrophobicContact CB-CB 4.22Å; S156-A160 PolarHBondContact O-N 3.12Å; W158-A160 VanDerWaalsContact C-N 3.28Å; W158-A160 PolarHBondContact O-N 3.07Å; A160-C162 VanDerWaalsContact C-N 3.26Å; A160-C162 PolarHBondContact O-N 2.05Å
161	K	96.7	Very high	96	Very high	102 Å²	102	47.9 Å²	47.9	44%	0.443	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-14.1	177.1	-61.2	-177.7	177.8	-177	0	113.8	W158 A159 S163	W158-K161 HydrophobicContact CD2-CD 4.36Å; W158-K161 HydrophobicContact CE3-CD 4.27Å; W158-K161 HydrophobicContact CH2-CD 4.42Å; W158-K161 HydrophobicContact CZ3-CD 4.37Å; W158-K161 WeakPolarHBondContact O-CB 3.35Å; W158-K161 PolarHBondContact O-N 2.83Å; W158-K161 VanDerWaalsContact O-N 3.16Å; A159-K161 PolarHBondContact O-N 2.84Å; K161-S163 VanDerWaalsContact C-N 3.28Å; K161-S163 PolarHBondContact O-N 3.25Å
162	C	97.1	Very high	95.9	Very high	25 Å²	25	48.3 Å²	48.3	17%	0.169	27%	0.272	C	S	.	.			trans	51.1	47.4	-179.4	-69.7	0	0	0	0	113.4	A159 A160 C251 I255 T256	A159-C162 PolarHBondContact O-N 2.78Å; A160-C162 VanDerWaalsContact C-N 3.26Å; A160-C162 PolarHBondContact O-N 2.05Å; C162-C251 WeakPolarHBondContact CA-SG 3.38Å; C162-C251 HydrophobicContact CB-CB 3.67Å; C162-C251 WeakPolarHBondContact CB-SG 3.49Å; C162-C251 WeakPolarHBondContact SG-CA 3.44Å; C162-C251 WeakPolarHBondContact SG-CB 3.4Å; C162-C251 CovalentContact SG-SG 2.03Å; C162-C251 PolarHBondContact SG-SG 2.78Å; C162-I255 WeakPolarHBondContact O-CA 3.48Å; C162-T256 PolarHBondContact O-N 2.79Å; C162-T256 PolarHBondContact O-OG1 2.83Å
163	S	96.7	Very high	95.7	Very high	22 Å²	22	49.4 Å²	49.4	15%	0.154	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-136.2	129.4	-177.6	164.1	0	0	0	0	109.6	K161 N165 I266	K161-S163 VanDerWaalsContact C-N 3.28Å; K161-S163 PolarHBondContact O-N 3.25Å; S163-N165 PolarHBondContact O-N 3.06Å; S163-N165 PolarHBondContact OG-ND2 3.39Å; S163-I266 VanDerWaalsContact O-CD1 3.23Å; S163-I266 WeakPolarHBondContact O-CD1 3.14Å
164	M	96	Very high	95.5	Very high	49 Å²	49	49.7 Å²	49.7	24%	0.241	29%	0.286	C	S	.	.			trans	-82.8	38	179.9	-161.7	57.6	-156.1	0	0	112.7	L185 A187 I255 F258 I266	M164-L185 HydrophobicContact CE-CB 3.32Å; M164-L185 HydrophobicContact CE-CD1 4.33Å; M164-L185 HydrophobicContact CE-CG 4.47Å; M164-L185 HydrophobicContact SD-CB 4.07Å; M164-A187 HydrophobicContact SD-CB 3.92Å; M164-I255 HydrophobicContact CB-CG2 3.89Å; M164-F258 HydrophobicContact CB-CB 3.64Å; M164-F258 HydrophobicContact CB-CD1 4.44Å; M164-F258 HydrophobicContact CB-CD2 4.26Å; M164-F258 HydrophobicContact CB-CG 3.87Å; M164-F258 HydrophobicContact CG-CB 4.15Å; M164-F258 HydrophobicContact CG-CD1 4.15Å; M164-F258 HydrophobicContact CG-CD2 3.87Å; M164-F258 HydrophobicContact CG-CE2 4.31Å; M164-F258 HydrophobicContact CG-CG 3.78Å; M164-I266 HydrophobicContact SD-CD1 4.13Å
165	N	96.6	Very high	95.5	Very high	92 Å²	92	46.1 Å²	46.1	49%	0.492	27%	0.272	S	S	.	.			trans	-111.7	140.4	-179.8	-69.8	-53.4	0	0	0	109.7	W158 S163	W158-N165 PolarHBondContact NE1-O 2.86Å; S163-N165 PolarHBondContact O-N 3.06Å; S163-N165 PolarHBondContact OG-ND2 3.39Å
166	H	95.6	Very high	95.3	Very high	108 Å²	108	48.7 Å²	48.7	50%	0.5	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-64.5	154	170.4	-78.7	-62.2	0	0	0	111.9	W158 E183	W158-H166 WeakPolarHBondContact CZ2-O 3.44Å; H166-E183 WeakPolarHBondContact CA-OE1 3.47Å; H166-E183 PolarHBondContact CE1-O 2.02Å; H166-E183 IonicContact CG-OE1 3.57Å; H166-E183 IonicContact ND1-OE1 2.72Å; H166-E183 PolarHBondContact ND1-OE1 3.14Å
167	S	95.1	Very high	95.1	Very high	21 Å²	21	50.2 Å²	50.2	15%	0.147	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-58.6	145.4	166.8	52.5	0	0	0	0	111.9	W158 Y172 E183	W158-S167 VanDerWaalsContact CH2-CA 3.47Å; S167-Y172 WeakPolarHBondContact OG-CE2 3.36Å; S167-E183 PolarHBondContact N-OE1 3.48Å; S167-E183 PolarHBondContact OG-OE1 2.83Å; S167-E183 PolarHBondContact OG-OE2 3.13Å
168	P	94	Very high	94.9	Very high	78 Å²	78	48.9 Å²	48.9	51%	0.506	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-54.6	148.2	174	-25.6	32.5	0	0	0	111.4	W158 G170 Y171	W158-P168 VanDerWaalsContact CH2-CD 3.46Å; P168-G170 PolarHBondContact O-N 3.09Å; P168-Y171 WeakPolarHBondContact O-CB 3.24Å; P168-Y171 PolarHBondContact O-N 3.41Å
169	S	88.7	Confident	94.5	Very high	129 Å²	129	49.7 Å²	49.7	90%	0.902	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	135.2	175.6	-171	0	0	0	0	111	Y171	S169-Y171 PolarHBondContact O-N 3.03Å
170	G	88.1	Confident	94.2	Very high	24 Å²	24	52.4 Å²	52.4	25%	0.247	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	-1.7	-178.7	0	0	0	0	0	115.1	P168 Y172 C173	P168-G170 PolarHBondContact O-N 3.09Å; G170-Y172 PolarHBondContact O-N 2.85Å; G170-Y172 VanDerWaalsContact O-N 3.16Å; G170-C173 WeakPolarHBondContact O-CB 3.44Å; G170-C173 PolarHBondContact O-N 2.96Å
171	Y	93.7	Very high	94.1	Very high	126 Å²	126	51.4 Å²	51.4	49%	0.494	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-32.2	-176.7	-177.5	-98.7	0	0	0	113.6	W158 P168 S169	W158-Y171 HydrophobicContact CE3-CD1 4.3Å; W158-Y171 AromaticContact CE3-CE1 3.83Å; W158-Y171 HydrophobicContact CE3-CE1 3.83Å; W158-Y171 HydrophobicContact CZ3-CD1 4.01Å; W158-Y171 AromaticContact CZ3-CE1 3.68Å; W158-Y171 HydrophobicContact CZ3-CE1 3.68Å; W158-Y171 HydrophobicContact CZ3-CE2 4.3Å; W158-Y171 HydrophobicContact CZ3-CG 4.48Å; W158-Y171 AromaticContact CZ3-CZ 3.84Å; P168-Y171 WeakPolarHBondContact O-CB 3.24Å; P168-Y171 PolarHBondContact O-N 3.41Å; S169-Y171 PolarHBondContact O-N 3.03Å
172	Y	95.2	Very high	94.1	Very high	10 Å²	10	46.8 Å²	46.8	4%	0.039	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	13	176.5	-55.2	-55.2	0	0	0	113.8	K154 W158 S167 G170 G174 L175 I181 E183	K154-Y172 HydrophobicContact CB-CD1 4.07Å; K154-Y172 HydrophobicContact CB-CE1 3.68Å; K154-Y172 HydrophobicContact CG-CD1 4.23Å; K154-Y172 HydrophobicContact CG-CE1 4.24Å; W158-Y172 WeakPolarHBondContact CB-OH 3.2Å; S167-Y172 WeakPolarHBondContact OG-CE2 3.36Å; G170-Y172 PolarHBondContact O-N 2.85Å; G170-Y172 VanDerWaalsContact O-N 3.16Å; Y172-G174 PolarHBondContact O-N 3.2Å; Y172-L175 WeakPolarHBondContact O-CB 3.44Å; Y172-L175 PolarHBondContact O-N 2.9Å; Y172-L175 VanDerWaalsContact O-N 3.13Å; Y172-I181 HydrophobicContact CD2-CB 3.92Å; Y172-I181 HydrophobicContact CD2-CG2 4.09Å; Y172-I181 HydrophobicContact CG-CB 4.17Å; Y172-I181 HydrophobicContact CG-CG1 4.4Å; Y172-E183 WeakPolarHBondContact CE2-OE2 3.08Å; Y172-E183 PolarHBondContact OH-OE2 3.15Å; Y172-E183 VanDerWaalsContact OH-OE2 3.11Å
173	C	94.2	Very high	94.1	Very high	28 Å²	28	46.5 Å²	46.5	19%	0.189	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	138.3	-179.8	-172.4	0	0	0	0	111.2	G170 L175 D179 C333	G170-C173 WeakPolarHBondContact O-CB 3.44Å; G170-C173 PolarHBondContact O-N 2.96Å; C173-L175 VanDerWaalsContact C-N 3.27Å; C173-L175 PolarHBondContact O-N 3.03Å; C173-D179 PolarHBondContact SG-O 2.91Å; C173-C333 HydrophobicContact CB-CB 3.85Å; C173-C333 WeakPolarHBondContact CB-SG 3.44Å; C173-C333 WeakPolarHBondContact SG-CA 2.95Å; C173-C333 WeakPolarHBondContact SG-CB 3.36Å; C173-C333 CovalentContact SG-SG 2.02Å; C173-C333 PolarHBondContact SG-SG 3.27Å
174	G	94.8	Very high	94.2	Very high	35 Å²	35	45.6 Å²	45.6	36%	0.361	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-9.3	-176.9	0	0	0	0	0	114.1	Y172 E176 G177 Y178 C333	Y172-G174 PolarHBondContact O-N 3.2Å; G174-E176 PolarHBondContact O-N 3.45Å; G174-G177 PolarHBondContact O-N 2.49Å; G174-Y178 WeakPolarHBondContact CA-O 3.36Å; G174-Y178 PolarHBondContact N-O 3.08Å; G174-C333 PolarHBondContact N-SG 3.43Å
175	L	96.5	Very high	94.3	Very high	23 Å²	23	43.5 Å²	43.5	12%	0.12	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-61.9	119.7	176.2	-173.4	60.9	0	0	0	110	E150 I151 K154 Y172 C173 G177 Y178 I181	E150-L175 HydrophobicContact CB-CD1 4.14Å; I151-L175 HydrophobicContact CB-CD2 4.43Å; I151-L175 HydrophobicContact CG1-CD2 3.79Å; I151-L175 HydrophobicContact CG1-CG 4.05Å; K154-L175 HydrophobicContact CB-CD2 4.23Å; K154-L175 HydrophobicContact CG-CD1 4.26Å; K154-L175 HydrophobicContact CG-CD2 3.69Å; Y172-L175 WeakPolarHBondContact O-CB 3.44Å; Y172-L175 PolarHBondContact O-N 2.9Å; Y172-L175 VanDerWaalsContact O-N 3.13Å; C173-L175 VanDerWaalsContact C-N 3.27Å; C173-L175 PolarHBondContact O-N 3.03Å; L175-G177 PolarHBondContact O-N 3.39Å; L175-G177 VanDerWaalsContact O-N 3.09Å; L175-Y178 WeakPolarHBondContact O-CD2 3.38Å; L175-Y178 PolarHBondContact O-N 2.94Å; L175-I181 HydrophobicContact CB-CD1 4.31Å; L175-I181 HydrophobicContact CB-CG1 4.1Å; L175-I181 HydrophobicContact CD2-CD1 4.41Å; L175-I181 HydrophobicContact CD2-CG1 4.08Å
176	E	95	Very high	94.4	Very high	55 Å²	55	39.8 Å²	39.8	26%	0.257	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	49.8	26.7	-169.8	-62.5	-165.5	-176.5	0	0	114.8	S148 E150 G174 Y178 K309	S148-E176 VanDerWaalsContact CB-OE1 3.3Å; S148-E176 WeakPolarHBondContact CB-OE1 3.47Å; S148-E176 VanDerWaalsContact OG-CD 3.29Å; S148-E176 PolarHBondContact OG-OE1 3.18Å; E150-E176 HydrophobicContact CB-CG 4.35Å; G174-E176 PolarHBondContact O-N 3.45Å; E176-Y178 VanDerWaalsContact C-N 3.32Å; E176-Y178 HydrophobicContact CB-CD2 3.96Å; E176-Y178 HydrophobicContact CB-CE2 3.87Å; E176-Y178 PolarHBondContact O-N 3Å; E176-K309 PolarHBondContact O-NZ 3.34Å
177	G	92.8	Very high	94.5	Very high	38 Å²	38	36 Å²	36	39%	0.392	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	72.8	19.5	-178.4	0	0	0	0	0	114.5	G174 L175	G174-G177 PolarHBondContact O-N 2.49Å; L175-G177 PolarHBondContact O-N 3.39Å; L175-G177 VanDerWaalsContact O-N 3.09Å
178	Y	93.2	Very high	94.7	Very high	15 Å²	15	37 Å²	37	6%	0.059	24%	0.235	C	C	.	.			trans	-87.7	141.3	171.8	-61.5	-59.8	0	0	0	111.1	I151 G174 L175 E176 N180 I181 E242 K243 P273	I151-Y178 HydrophobicContact CD1-CD2 4.47Å; I151-Y178 HydrophobicContact CD1-CE2 4.35Å; G174-Y178 WeakPolarHBondContact CA-O 3.36Å; G174-Y178 PolarHBondContact N-O 3.08Å; L175-Y178 WeakPolarHBondContact O-CD2 3.38Å; L175-Y178 PolarHBondContact O-N 2.94Å; E176-Y178 VanDerWaalsContact C-N 3.32Å; E176-Y178 HydrophobicContact CB-CD2 3.96Å; E176-Y178 HydrophobicContact CB-CE2 3.87Å; E176-Y178 PolarHBondContact O-N 3Å; Y178-N180 VanDerWaalsContact C-N 3.28Å; Y178-I181 HydrophobicContact CD2-CD1 3.85Å; Y178-I181 HydrophobicContact CG-CD1 4.25Å; Y178-E242 PolarHBondContact OH-OE2 3.2Å; Y178-K243 HydrophobicContact CE2-CB 4.44Å; Y178-K243 HydrophobicContact CE2-CG 3.84Å; Y178-K243 WeakPolarHBondContact OH-CG 3.14Å; Y178-P273 HydrophobicContact CD1-CB 3.75Å; Y178-P273 HydrophobicContact CD1-CG 4.13Å; Y178-P273 HydrophobicContact CE1-CB 4.43Å; Y178-P273 VanDerWaalsContact CE1-CD 3.49Å; Y178-P273 HydrophobicContact CE1-CG 4.35Å; Y178-P273 HydrophobicContact CG-CB 4.16Å
179	D	89.2	Confident	94.8	Very high	36 Å²	36	36.4 Å²	36.4	19%	0.193	23%	0.229	C	C	.	.	S	Bend	trans	-70.1	-29.2	177.7	65.6	-38.5	0	0	0	111.9	C173 L332 Y338 N339	C173-D179 PolarHBondContact SG-O 2.91Å; D179-L332 HydrophobicContact CB-CD1 3.67Å; D179-L332 HydrophobicContact CB-CG 4.36Å; D179-Y338 HydrophobicContact CB-CD1 3.77Å; D179-Y338 HydrophobicContact CB-CE1 3.97Å; D179-N339 PolarHBondContact OD2-ND2 2.97Å; D179-N339 PolarHBondContact OD2-OD1 3.47Å
180	N	91.8	Very high	95.1	Very high	56 Å²	56	31.9 Å²	31.9	30%	0.299	20%	0.197	S	C	.	.			trans	-150.5	156	173.6	-175.7	53.6	0	0	0	111.5	Y178 P273 G274	Y178-N180 VanDerWaalsContact C-N 3.28Å; N180-P273 WeakPolarHBondContact O-CA 3.37Å; N180-G274 WeakPolarHBondContact CB-O 3.05Å; N180-G274 PolarHBondContact ND2-O 2.96Å; N180-G274 PolarHBondContact O-N 3.46Å
181	I	95.6	Very high	95.3	Very high	7 Å²	7	33.6 Å²	33.6	4%	0.036	21%	0.205	C	C	.	.			trans	-118.2	130	173.1	-59.6	-63.6	0	0	0	108.1	I151 Y172 L175 Y178 N270 Y271	I151-I181 HydrophobicContact CD1-CD1 4.11Å; I151-I181 HydrophobicContact CG1-CD1 4.44Å; Y172-I181 HydrophobicContact CD2-CB 3.92Å; Y172-I181 HydrophobicContact CD2-CG2 4.09Å; Y172-I181 HydrophobicContact CG-CB 4.17Å; Y172-I181 HydrophobicContact CG-CG1 4.4Å; L175-I181 HydrophobicContact CB-CD1 4.31Å; L175-I181 HydrophobicContact CB-CG1 4.1Å; L175-I181 HydrophobicContact CD2-CD1 4.41Å; L175-I181 HydrophobicContact CD2-CG1 4.08Å; Y178-I181 HydrophobicContact CD2-CD1 3.85Å; Y178-I181 HydrophobicContact CG-CD1 4.25Å; I181-N270 HydrophobicContact CG2-CB 3.6Å; I181-Y271 CarbonylContact C-O 3.59Å; I181-Y271 WeakPolarHBondContact CA-O 3.14Å
182	G	96.1	Very high	94.9	Very high	5 Å²	5	31.1 Å²	31.1	5%	0.052	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	150.5	177.1	0	0	0	0	0	108.7	N270 Y271	G182-N270 CarbonylContact O-C 3.56Å; G182-N270 WeakPolarHBondContact O-CA 3.35Å; G182-Y271 PolarHBondContact N-O 3.43Å; G182-Y271 PolarHBondContact O-N 3.46Å
183	E	97.8	Very high	94.5	Very high	19 Å²	19	35.6 Å²	35.6	9%	0.089	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	122.4	-176.4	-175.4	177.8	80.7	0	0	109.4	H166 S167 Y172 L185 V268 C269 N270	H166-E183 WeakPolarHBondContact CA-OE1 3.47Å; H166-E183 PolarHBondContact CE1-O 2.02Å; H166-E183 IonicContact CG-OE1 3.57Å; H166-E183 IonicContact ND1-OE1 2.72Å; H166-E183 PolarHBondContact ND1-OE1 3.14Å; S167-E183 PolarHBondContact N-OE1 3.48Å; S167-E183 PolarHBondContact OG-OE1 2.83Å; S167-E183 PolarHBondContact OG-OE2 3.13Å; Y172-E183 WeakPolarHBondContact CE2-OE2 3.08Å; Y172-E183 PolarHBondContact OH-OE2 3.15Å; Y172-E183 VanDerWaalsContact OH-OE2 3.11Å; E183-L185 HydrophobicContact CG-CD2 3.99Å; E183-L185 HydrophobicContact CG-CG 4.36Å; E183-V268 HydrophobicContact CG-CG1 3.91Å; E183-C269 WeakPolarHBondContact CA-O 3.21Å; E183-N270 WeakPolarHBondContact CG-OD1 3.08Å
184	N	98.6	Very high	94.3	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	136.4	168.8	-75.1	-7.2	0	0	0	109.1	W212 H232 V268 C269 Y271	N184-W212 HydrophobicContact CB-CD2 4.12Å; N184-W212 HydrophobicContact CB-CE3 4.03Å; N184-W212 HydrophobicContact CB-CH2 3.59Å; N184-W212 HydrophobicContact CB-CZ2 3.66Å; N184-W212 HydrophobicContact CB-CZ3 3.77Å; N184-H232 PolarHBondContact ND2-O 3.46Å; N184-H232 VanDerWaalsContact ND2-O 3.08Å; N184-V268 WeakPolarHBondContact O-CA 3.38Å; N184-C269 PolarHBondContact N-O 3.19Å; N184-C269 PolarHBondContact O-N 3.32Å; N184-Y271 HydrophobicContact CB-CE2 3.93Å; N184-Y271 PolarHBondContact ND2-OH 3.47Å
185	L	98.5	Very high	94.3	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.7	179.3	-59	-179.9	0	0	0	110.1	M164 E183 W212 H232 I267 V268	M164-L185 HydrophobicContact CE-CB 3.32Å; M164-L185 HydrophobicContact CE-CD1 4.33Å; M164-L185 HydrophobicContact CE-CG 4.47Å; M164-L185 HydrophobicContact SD-CB 4.07Å; E183-L185 HydrophobicContact CG-CD2 3.99Å; E183-L185 HydrophobicContact CG-CG 4.36Å; L185-W212 VanDerWaalsContact C-CZ2 3.47Å; L185-W212 PolarHBondContact O-NE1 3.21Å; L185-H232 PolarHBondContact O-NE2 1.99Å; L185-I267 WeakPolarHBondContact CA-O 3.42Å; L185-V268 HydrophobicContact CD2-CB 4.1Å; L185-V268 HydrophobicContact CD2-CG1 3.9Å; L185-V268 HydrophobicContact CD2-CG2 3.58Å
186	A	98.4	Very high	94.1	Very high	15 Å²	15	37 Å²	37	12%	0.124	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	149.2	171.4	0	0	0	0	0	109.6	A208 W212 I266 I267	A186-A208 HydrophobicContact CB-CB 3.61Å; A186-W212 HydrophobicContact CB-CZ2 3.51Å; A186-I266 CarbonylContact O-C 3.58Å; A186-I266 WeakPolarHBondContact O-CA 3.35Å; A186-I266 WeakPolarHBondContact O-CG1 3.46Å; A186-I267 HydrophobicContact CB-CB 4.36Å; A186-I267 PolarHBondContact N-O 3.38Å; A186-I267 PolarHBondContact O-N 3.46Å
187	A	98.1	Very high	94.2	Very high	27 Å²	27	37.4 Å²	37.4	22%	0.223	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	144.9	178.8	0	0	0	0	0	110.8	M164 I255 F258 I259 Y265	M164-A187 HydrophobicContact SD-CB 3.92Å; A187-I255 HydrophobicContact CB-CD1 3.46Å; A187-I255 VanDerWaalsContact CB-CD1 3.46Å; A187-F258 HydrophobicContact CB-CD1 3.7Å; A187-F258 HydrophobicContact CB-CE1 3.55Å; A187-I259 HydrophobicContact CB-CD1 4.41Å; A187-Y265 VanDerWaalsContact CA-O 3.24Å; A187-Y265 WeakPolarHBondContact CA-O 3.38Å
188	S	97.6	Very high	94.4	Very high	44 Å²	44	38.1 Å²	38.1	31%	0.308	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	150.9	174.1	-173.6	0	0	0	0	110.6	A264 Y265	S188-A264 CarbonylContact O-C 3.49Å; S188-A264 WeakPolarHBondContact O-CA 3.45Å; S188-A264 WeakPolarHBondContact O-CB 3.48Å; S188-Y265 WeakPolarHBondContact CB-OH 3.27Å; S188-Y265 PolarHBondContact N-O 3.26Å; S188-Y265 VanDerWaalsContact N-O 3.07Å; S188-Y265 PolarHBondContact O-N 2.93Å
189	T	96.7	Very high	94.7	Very high	64 Å²	64	42.8 Å²	42.8	39%	0.393	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	151.9	168.4	49.5	0	0	0	0	110.7	I259 R262	T189-I259 HydrophobicContact CG2-CD1 4.19Å; T189-I259 HydrophobicContact CG2-CG2 3.82Å; T189-R262 HydrophobicContact CG2-CG 4.33Å
190	T	96.1	Very high	95.1	Very high	35 Å²	35	44 Å²	44	22%	0.215	27%	0.27	C	S	.	.			trans	-153.5	173.9	176.1	-171.5	0	0	0	0	110.9	L250 P263 Y265	T190-L250 HydrophobicContact CG2-CD1 3.44Å; T190-L250 VanDerWaalsContact CG2-CD1 3.44Å; T190-P263 PolarHBondContact N-O 3.23Å; T190-P263 VanDerWaalsContact O-O 3.12Å; T190-Y265 HydrophobicContact CG2-CD1 3.77Å
191	S	91.9	Very high	95.4	Very high	60 Å²	60	41.7 Å²	41.7	42%	0.42	26%	0.258	S	S	.	.			trans	-77.8	165.7	165.5	63.5	0	0	0	0	110.7	D193 G194	S191-D193 VanDerWaalsContact CB-OD1 3.28Å; S191-D193 WeakPolarHBondContact CB-OD1 3.44Å; S191-D193 PolarHBondContact O-N 3.07Å; S191-D193 VanDerWaalsContact O-N 3.14Å; S191-D193 PolarHBondContact OG-OD1 3.47Å; S191-G194 PolarHBondContact O-N 2.84Å; S191-G194 WeakPolarHBondContact OG-CA 3.21Å; S191-G194 PolarHBondContact OG-N 3.37Å; S191-G194 VanDerWaalsContact OG-N 3.12Å
192	A	83.9	Confident	95.6	Very high	73 Å²	73	43.9 Å²	43.9	60%	0.603	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.1	-179.4	0	0	0	0	0	113.9	L250	A192-L250 VanDerWaalsContact O-CD2 3.25Å; A192-L250 WeakPolarHBondContact O-CD2 3.31Å
193	D	87.7	Confident	95.7	Very high	105 Å²	105	46.6 Å²	46.6	56%	0.561	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	5.3	-179.1	62.6	-19.6	0	0	0	113.2	S191 L195 S196	S191-D193 VanDerWaalsContact CB-OD1 3.28Å; S191-D193 WeakPolarHBondContact CB-OD1 3.44Å; S191-D193 PolarHBondContact O-N 3.07Å; S191-D193 VanDerWaalsContact O-N 3.14Å; S191-D193 PolarHBondContact OG-OD1 3.47Å; D193-L195 PolarHBondContact O-N 3.11Å; D193-S196 WeakPolarHBondContact O-CB 3.31Å; D193-S196 PolarHBondContact O-N 3.13Å; D193-S196 PolarHBondContact O-OG 3.34Å
194	G	90.1	Very high	95.7	Very high	12 Å²	12	45.9 Å²	45.9	12%	0.124	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	10.7	-170.1	0	0	0	0	0	115.8	S191 Q200	S191-G194 PolarHBondContact O-N 2.84Å; S191-G194 WeakPolarHBondContact OG-CA 3.21Å; S191-G194 PolarHBondContact OG-N 3.37Å; S191-G194 VanDerWaalsContact OG-N 3.12Å; G194-Q200 WeakPolarHBondContact O-CB 2.91Å
195	L	95.1	Very high	95.7	Very high	13 Å²	13	45.7 Å²	45.7	7%	0.068	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.6	28.6	177.3	-65.1	-178.6	0	0	0	112.3	I107 D193 L201 A204 I248 L250 Y265	I107-L195 HydrophobicContact CD1-CB 3.72Å; I107-L195 HydrophobicContact CD1-CD1 3.72Å; I107-L195 HydrophobicContact CD1-CG 4.41Å; D193-L195 PolarHBondContact O-N 3.11Å; L195-L201 HydrophobicContact CB-CD2 4.09Å; L195-L201 HydrophobicContact CD2-CD2 4.21Å; L195-A204 HydrophobicContact CD2-CB 3.78Å; L195-I248 HydrophobicContact CD1-CD1 3.79Å; L195-I248 HydrophobicContact CD1-CG1 4.25Å; L195-I248 HydrophobicContact CD2-CD1 4.2Å; L195-L250 HydrophobicContact CD1-CB 4.5Å; L195-L250 HydrophobicContact CD1-CD1 4.49Å; L195-Y265 HydrophobicContact CD1-CD1 3.94Å; L195-Y265 HydrophobicContact CD1-CG 3.74Å; L195-Y265 HydrophobicContact CD2-CD1 4.2Å; L195-Y265 HydrophobicContact CD2-CE1 4.47Å; L195-Y265 HydrophobicContact CG-CD1 4.3Å
196	S	92.3	Very high	95.7	Very high	89 Å²	89	49.3 Å²	49.3	62%	0.622	29%	0.294	S	S	*	.	S	Bend	trans	-84.1	-11.9	-175.8	53.8	0	0	0	0	114	D193 Q200	D193-S196 WeakPolarHBondContact O-CB 3.31Å; D193-S196 PolarHBondContact O-N 3.13Å; D193-S196 PolarHBondContact O-OG 3.34Å; S196-Q200 PolarHBondContact OG-OE1 3.45Å; S196-Q200 VanDerWaalsContact OG-OE1 3.12Å
197	T	96.6	Very high	95.7	Very high	64 Å²	64	52.7 Å²	52.7	39%	0.393	31%	0.309	S	S	.	.	S	Bend	trans	-124.5	154.7	-178.7	66.9	0	0	0	0	112.6	E199 Q200 L201	T197-E199 PolarHBondContact O-N 3.38Å; T197-Q200 VanDerWaalsContact N-OE1 3.09Å; T197-Q200 PolarHBondContact O-N 3.26Å; T197-Q200 VanDerWaalsContact O-N 3.16Å; T197-Q200 VanDerWaalsContact OG1-CG 3.32Å; T197-Q200 WeakPolarHBondContact OG1-CG 3.16Å; T197-Q200 PolarHBondContact OG1-N 2.81Å; T197-Q200 PolarHBondContact OG1-OE1 2.9Å; T197-L201 WeakPolarHBondContact O-CG 3.5Å; T197-L201 PolarHBondContact O-N 3.22Å
198	D	98	Very high	95.8	Very high	53 Å²	53	51.7 Å²	51.7	28%	0.283	30%	0.301	S	S	.	.	H	α-helix	trans	-53.7	-38.3	172.7	-86	12	0	0	0	112	S110 V113 L201 K202	S110-D198 WeakPolarHBondContact CB-OD1 3.43Å; S110-D198 WeakPolarHBondContact CB-OD2 3.22Å; S110-D198 PolarHBondContact OG-OD1 3.03Å; S110-D198 VanDerWaalsContact OG-OD1 3.09Å; S110-D198 PolarHBondContact OG-OD2 3.19Å; V113-D198 HydrophobicContact CG2-CB 3.95Å; D198-L201 PolarHBondContact O-N 2.87Å; D198-K202 WeakPolarHBondContact O-CB 3.46Å; D198-K202 VanDerWaalsContact O-CG 3.24Å; D198-K202 WeakPolarHBondContact O-CG 3.16Å; D198-K202 PolarHBondContact O-N 3.35Å
199	E	98.2	Very high	95.8	Very high	113 Å²	113	49.6 Å²	49.6	53%	0.528	29%	0.286	S	S	.	.	H	α-helix	trans	-66.5	-42.6	-179.8	-172.1	55.2	-150.8	0	0	111.6	T197 K202 N203	T197-E199 PolarHBondContact O-N 3.38Å; E199-K202 PolarHBondContact O-N 3.26Å; E199-N203 WeakPolarHBondContact O-CB 3.47Å; E199-N203 PolarHBondContact O-N 3.42Å; E199-N203 PolarHBondContact O-ND2 3.37Å; E199-N203 PolarHBondContact OE1-ND2 3.44Å
200	Q	98	Very high	95.9	Very high	63 Å²	63	51.4 Å²	51.4	29%	0.294	29%	0.289	S	S	.	.	H	α-helix	trans	-64.4	-40.6	174.4	-73.2	167.8	-31.4	0	0	112	G194 S196 T197 N203 A204	G194-Q200 WeakPolarHBondContact O-CB 2.91Å; S196-Q200 PolarHBondContact OG-OE1 3.45Å; S196-Q200 VanDerWaalsContact OG-OE1 3.12Å; T197-Q200 VanDerWaalsContact N-OE1 3.09Å; T197-Q200 PolarHBondContact O-N 3.26Å; T197-Q200 VanDerWaalsContact O-N 3.16Å; T197-Q200 VanDerWaalsContact OG1-CG 3.32Å; T197-Q200 WeakPolarHBondContact OG1-CG 3.16Å; T197-Q200 PolarHBondContact OG1-N 2.81Å; T197-Q200 PolarHBondContact OG1-OE1 2.9Å; Q200-N203 PolarHBondContact O-N 3.5Å; Q200-A204 WeakPolarHBondContact O-CB 3.28Å; Q200-A204 PolarHBondContact O-N 2.88Å
201	L	98.3	Very high	96	Very high	7 Å²	7	58.9 Å²	58.9	4%	0.037	31%	0.313	C	S	.	.	H	α-helix	trans	-63.6	-45.8	176.2	-68.5	169.6	0	0	0	111.6	I107 V113 L195 T197 D198 N203 A204 F205 I248	I107-L201 HydrophobicContact CD1-CD2 4.12Å; I107-L201 HydrophobicContact CG2-CD1 4.15Å; I107-L201 HydrophobicContact CG2-CD2 4.11Å; V113-L201 HydrophobicContact CG1-CB 4.1Å; V113-L201 HydrophobicContact CG2-CB 4.03Å; V113-L201 HydrophobicContact CG2-CD1 4.17Å; L195-L201 HydrophobicContact CB-CD2 4.09Å; L195-L201 HydrophobicContact CD2-CD2 4.21Å; T197-L201 WeakPolarHBondContact O-CG 3.5Å; T197-L201 PolarHBondContact O-N 3.22Å; D198-L201 PolarHBondContact O-N 2.87Å; L201-N203 PolarHBondContact O-N 3.08Å; L201-A204 WeakPolarHBondContact O-CB 3.33Å; L201-A204 PolarHBondContact O-N 2.7Å; L201-F205 VanDerWaalsContact O-CD2 3.22Å; L201-F205 WeakPolarHBondContact O-CD2 3.33Å; L201-F205 PolarHBondContact O-N 2.98Å; L201-I248 HydrophobicContact CD2-CD1 4.03Å; L201-I248 HydrophobicContact CD2-CG2 3.83Å
202	K	98.7	Very high	96.4	Very high	52 Å²	52	56.4 Å²	56.4	23%	0.226	30%	0.295	C	S	.	.	H	α-helix	trans	-59.7	-45.7	175.6	-72.8	175.4	-174.8	174.7	0	111.4	V113 F116 D198 E199 A204 F205 Q206	V113-K202 HydrophobicContact CG2-CG 4.35Å; F116-K202 HydrophobicContact CB-CD 4.18Å; F116-K202 HydrophobicContact CB-CG 3.96Å; F116-K202 HydrophobicContact CD1-CB 3.95Å; F116-K202 HydrophobicContact CD1-CG 3.75Å; F116-K202 HydrophobicContact CD2-CB 4.44Å; F116-K202 HydrophobicContact CD2-CD 4.25Å; F116-K202 HydrophobicContact CD2-CG 4.21Å; F116-K202 HydrophobicContact CE1-CB 4.03Å; F116-K202 HydrophobicContact CE1-CG 4.35Å; F116-K202 VanDerWaalsContact CE1-O 3.27Å; F116-K202 WeakPolarHBondContact CE1-O 3.29Å; F116-K202 HydrophobicContact CG-CB 4.17Å; F116-K202 HydrophobicContact CG-CD 4.09Å; F116-K202 HydrophobicContact CG-CG 3.68Å; F116-K202 HydrophobicContact CZ-CB 4.33Å; D198-K202 WeakPolarHBondContact O-CB 3.46Å; D198-K202 VanDerWaalsContact O-CG 3.24Å; D198-K202 WeakPolarHBondContact O-CG 3.16Å; D198-K202 PolarHBondContact O-N 3.35Å; E199-K202 PolarHBondContact O-N 3.26Å; K202-A204 VanDerWaalsContact C-N 3.33Å; K202-A204 PolarHBondContact O-N 3.23Å; K202-F205 PolarHBondContact O-N 2.93Å; K202-Q206 WeakPolarHBondContact O-CB 3.44Å; K202-Q206 PolarHBondContact O-N 2.76Å
203	N	98.4	Very high	97.1	Very high	63 Å²	63	53.5 Å²	53.5	34%	0.337	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-40.9	176.2	-78.2	-55.9	0	0	0	112.2	E199 Q200 L201 Q206 N207	E199-N203 WeakPolarHBondContact O-CB 3.47Å; E199-N203 PolarHBondContact O-N 3.42Å; E199-N203 PolarHBondContact O-ND2 3.37Å; E199-N203 PolarHBondContact OE1-ND2 3.44Å; Q200-N203 PolarHBondContact O-N 3.5Å; L201-N203 PolarHBondContact O-N 3.08Å; N203-Q206 PolarHBondContact O-N 3.19Å; N203-N207 WeakPolarHBondContact O-CB 3.45Å; N203-N207 VanDerWaalsContact O-CG 3.26Å; N203-N207 PolarHBondContact O-N 3.44Å; N203-N207 PolarHBondContact O-ND2 3.41Å; N203-N207 VanDerWaalsContact O-ND2 3.07Å
204	A	98.6	Very high	97.6	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.033	26%	0.256	C	S	.	.	H	α-helix	trans	-60.8	-46.4	175	0	0	0	0	0	112	L195 Q200 L201 K202 A208 I248 Y265 I267	L195-A204 HydrophobicContact CD2-CB 3.78Å; Q200-A204 WeakPolarHBondContact O-CB 3.28Å; Q200-A204 PolarHBondContact O-N 2.88Å; L201-A204 WeakPolarHBondContact O-CB 3.33Å; L201-A204 PolarHBondContact O-N 2.7Å; K202-A204 VanDerWaalsContact C-N 3.33Å; K202-A204 PolarHBondContact O-N 3.23Å; A204-A208 PolarHBondContact O-N 2.77Å; A204-A208 VanDerWaalsContact O-N 3.16Å; A204-I248 HydrophobicContact CB-CD1 4.07Å; A204-Y265 HydrophobicContact CB-CD2 4.43Å; A204-Y265 HydrophobicContact CB-CE1 4.25Å; A204-Y265 HydrophobicContact CB-CE2 3.76Å; A204-I267 HydrophobicContact CB-CD1 4.29Å; A204-I267 WeakPolarHBondContact O-CD1 3.14Å
205	F	98.7	Very high	98	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.1	-46.2	175	-82.6	-64.8	0	0	0	112.6	L109 V113 F116 L201 K202 N207 A208 F209 C246 I248 I267	L109-F205 HydrophobicContact CD1-CE2 4.1Å; L109-F205 HydrophobicContact CD1-CZ 3.93Å; L109-F205 HydrophobicContact CD2-CE2 3.86Å; L109-F205 HydrophobicContact CD2-CZ 4.24Å; V113-F205 HydrophobicContact CG1-CD2 3.86Å; V113-F205 HydrophobicContact CG1-CE2 3.74Å; F116-F205 HydrophobicContact CD1-CB 4.38Å; F116-F205 HydrophobicContact CE1-CB 3.9Å; L201-F205 VanDerWaalsContact O-CD2 3.22Å; L201-F205 WeakPolarHBondContact O-CD2 3.33Å; L201-F205 PolarHBondContact O-N 2.98Å; K202-F205 PolarHBondContact O-N 2.93Å; F205-N207 VanDerWaalsContact C-N 3.29Å; F205-N207 PolarHBondContact O-N 2.73Å; F205-A208 PolarHBondContact O-N 3.44Å; F205-A208 VanDerWaalsContact O-N 3.13Å; F205-F209 HydrophobicContact CB-CD2 4.48Å; F205-F209 HydrophobicContact CB-CE1 4.39Å; F205-F209 HydrophobicContact CB-CE2 3.87Å; F205-F209 HydrophobicContact CB-CZ 3.83Å; F205-F209 AromaticContact CD1-CE1 3.65Å; F205-F209 HydrophobicContact CD1-CE1 3.65Å; F205-F209 HydrophobicContact CD1-CE2 4.21Å; F205-F209 AromaticContact CD1-CZ 3.32Å; F205-F209 HydrophobicContact CD1-CZ 3.32Å; F205-F209 HydrophobicContact CE1-CE1 4.46Å; F205-F209 HydrophobicContact CE1-CZ 4.17Å; F205-F209 HydrophobicContact CG-CE1 4.49Å; F205-F209 HydrophobicContact CG-CE2 4.39Å; F205-F209 AromaticContact CG-CZ 3.91Å; F205-F209 HydrophobicContact CG-CZ 3.91Å; F205-F209 WeakPolarHBondContact O-CD1 3.3Å; F205-F209 WeakPolarHBondContact O-CD2 3.26Å; F205-F209 WeakPolarHBondContact O-CG 3.42Å; F205-F209 PolarHBondContact O-N 3.16Å; F205-C246 HydrophobicContact CE1-CB 3.77Å; F205-C246 HydrophobicContact CZ-CB 4.12Å; F205-I248 HydrophobicContact CE2-CB 4.49Å; F205-I248 HydrophobicContact CE2-CG2 4.28Å; F205-I248 HydrophobicContact CZ-CB 4.14Å; F205-I248 HydrophobicContact CZ-CG2 4.29Å; F205-I267 HydrophobicContact CD1-CD1 3.92Å; F205-I267 HydrophobicContact CD1-CG1 4.34Å; F205-I267 HydrophobicContact CD1-CG2 3.85Å; F205-I267 HydrophobicContact CE1-CB 4.48Å; F205-I267 HydrophobicContact CE1-CD1 4.27Å; F205-I267 HydrophobicContact CE1-CG1 4.19Å; F205-I267 HydrophobicContact CE1-CG2 3.51Å; F205-I267 HydrophobicContact CG-CD1 4.32Å
206	Q	98.7	Very high	98.1	Very high	80 Å²	80	53.6 Å²	53.6	37%	0.374	26%	0.262	S	S	.	.	H	α-helix	trans	-56.6	-45.5	178.7	-166	175.1	-4.7	0	0	111.4	F116 K202 N203 A208 F209 K210	F116-Q206 HydrophobicContact CE1-CB 4.36Å; F116-Q206 HydrophobicContact CZ-CB 3.83Å; F116-Q206 HydrophobicContact CZ-CG 4.26Å; K202-Q206 WeakPolarHBondContact O-CB 3.44Å; K202-Q206 PolarHBondContact O-N 2.76Å; N203-Q206 PolarHBondContact O-N 3.19Å; Q206-A208 PolarHBondContact O-N 2.82Å; Q206-F209 PolarHBondContact O-N 2.9Å; Q206-K210 VanDerWaalsContact O-CB 3.25Å; Q206-K210 WeakPolarHBondContact O-CB 3.34Å; Q206-K210 PolarHBondContact O-N 2.74Å
207	N	98.6	Very high	98.4	Very high	85 Å²	85	53.1 Å²	53.1	46%	0.455	26%	0.255	S	S	.	.	H	α-helix	trans	-62.7	-42.3	177.9	-76.2	-34.9	0	0	0	112.1	N203 F205 R211	N203-N207 WeakPolarHBondContact O-CB 3.45Å; N203-N207 VanDerWaalsContact O-CG 3.26Å; N203-N207 PolarHBondContact O-N 3.44Å; N203-N207 PolarHBondContact O-ND2 3.41Å; N203-N207 VanDerWaalsContact O-ND2 3.07Å; F205-N207 VanDerWaalsContact C-N 3.29Å; F205-N207 PolarHBondContact O-N 2.73Å; N207-R211 WeakPolarHBondContact O-CB 3.3Å; N207-R211 VanDerWaalsContact O-CG 3.24Å; N207-R211 WeakPolarHBondContact O-CG 3.4Å; N207-R211 PolarHBondContact O-N 3.41Å; N207-R211 VanDerWaalsContact O-N 3.15Å
208	A	98.8	Very high	98.4	Very high	6 Å²	6	54 Å²	54	5%	0.05	25%	0.252	C	S	.	.	H	α-helix	trans	-63.7	-50.1	175.6	0	0	0	0	0	111.5	A186 A204 F205 Q206 K210 R211 W212 I267	A186-A208 HydrophobicContact CB-CB 3.61Å; A204-A208 PolarHBondContact O-N 2.77Å; A204-A208 VanDerWaalsContact O-N 3.16Å; F205-A208 PolarHBondContact O-N 3.44Å; F205-A208 VanDerWaalsContact O-N 3.13Å; Q206-A208 PolarHBondContact O-N 2.82Å; A208-K210 PolarHBondContact O-N 3.11Å; A208-R211 PolarHBondContact O-N 2.75Å; A208-W212 HydrophobicContact CB-CZ2 4.41Å; A208-W212 WeakPolarHBondContact O-CB 3.43Å; A208-W212 VanDerWaalsContact O-CG 3.24Å; A208-W212 PolarHBondContact O-N 2.92Å; A208-I267 HydrophobicContact CB-CD1 3.85Å
209	F	98.8	Very high	98.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.1	-39.3	-176.3	-58.4	-13.9	0	0	0	112.2	A117 E120 H121 Y124 F205 Q206 W212 F213 M236	A117-F209 HydrophobicContact CB-CE2 4.16Å; A117-F209 HydrophobicContact CB-CZ 4.14Å; E120-F209 HydrophobicContact CB-CD2 4.15Å; E120-F209 HydrophobicContact CG-CD2 4.07Å; H121-F209 AromaticContact CE1-CD1 3.7Å; H121-F209 AromaticContact CE1-CE1 3.38Å; H121-F209 WeakPolarHBondContact CE1-CE1 3.09Å; H121-F209 AromaticContact CE1-CE2 3.73Å; H121-F209 AromaticContact CE1-CZ 3.38Å; H121-F209 WeakPolarHBondContact CE1-CZ 3.16Å; H121-F209 AromaticContact ND1-CD2 3.98Å; H121-F209 AromaticContact ND1-CE2 3.64Å; H121-F209 AromaticContact ND1-CZ 3.72Å; Y124-F209 HydrophobicContact CE2-CB 3.86Å; F205-F209 HydrophobicContact CB-CD2 4.48Å; F205-F209 HydrophobicContact CB-CE1 4.39Å; F205-F209 HydrophobicContact CB-CE2 3.87Å; F205-F209 HydrophobicContact CB-CZ 3.83Å; F205-F209 AromaticContact CD1-CE1 3.65Å; F205-F209 HydrophobicContact CD1-CE1 3.65Å; F205-F209 HydrophobicContact CD1-CE2 4.21Å; F205-F209 AromaticContact CD1-CZ 3.32Å; F205-F209 HydrophobicContact CD1-CZ 3.32Å; F205-F209 HydrophobicContact CE1-CE1 4.46Å; F205-F209 HydrophobicContact CE1-CZ 4.17Å; F205-F209 HydrophobicContact CG-CE1 4.49Å; F205-F209 HydrophobicContact CG-CE2 4.39Å; F205-F209 AromaticContact CG-CZ 3.91Å; F205-F209 HydrophobicContact CG-CZ 3.91Å; F205-F209 WeakPolarHBondContact O-CD1 3.3Å; F205-F209 WeakPolarHBondContact O-CD2 3.26Å; F205-F209 WeakPolarHBondContact O-CG 3.42Å; F205-F209 PolarHBondContact O-N 3.16Å; Q206-F209 PolarHBondContact O-N 2.9Å; F209-W212 AromaticContact CD1-CE3 3.67Å; F209-W212 HydrophobicContact CD1-CE3 3.67Å; F209-W212 HydrophobicContact CD1-CH2 4.37Å; F209-W212 AromaticContact CD1-CZ3 3.49Å; F209-W212 HydrophobicContact CD1-CZ3 3.49Å; F209-W212 VanDerWaalsContact CD1-CZ3 3.49Å; F209-W212 HydrophobicContact CE1-CE3 4.28Å; F209-W212 HydrophobicContact CE1-CH2 4.29Å; F209-W212 AromaticContact CE1-CZ3 3.63Å; F209-W212 HydrophobicContact CE1-CZ3 3.63Å; F209-W212 PolarHBondContact O-N 3.47Å; F209-F213 VanDerWaalsContact O-CB 3.25Å; F209-F213 WeakPolarHBondContact O-CB 3.21Å; F209-F213 PolarHBondContact O-N 3.42Å; F209-M236 HydrophobicContact CB-CE 4.05Å
210	K	98.8	Very high	98.2	Very high	103 Å²	103	51 Å²	51	45%	0.448	24%	0.238	S	C	.	.	H	α-helix	trans	-61.5	-47.2	174.2	-174	-177.2	-174.8	-57.6	0	111.2	Y124 Q206 A208 W212 F213 D214	Y124-K210 VanDerWaalsContact OH-CA 3.31Å; Y124-K210 WeakPolarHBondContact OH-CA 3.5Å; Q206-K210 VanDerWaalsContact O-CB 3.25Å; Q206-K210 WeakPolarHBondContact O-CB 3.34Å; Q206-K210 PolarHBondContact O-N 2.74Å; A208-K210 PolarHBondContact O-N 3.11Å; K210-W212 PolarHBondContact O-N 3.01Å; K210-F213 PolarHBondContact O-N 3.04Å; K210-D214 IonicContact NZ-OD1 3.04Å; K210-D214 IonicContact NZ-OD2 3.09Å; K210-D214 PolarHBondContact NZ-OD2 3.36Å; K210-D214 WeakPolarHBondContact O-CB 3.49Å; K210-D214 PolarHBondContact O-N 3.15Å
211	R	98.7	Very high	98	Very high	191 Å²	191	49.1 Å²	49.1	72%	0.721	23%	0.229	S	C	*	.	H	α-helix	trans	-61.4	-45.1	178.6	-75.7	174.1	-178.8	-93.3	1	111.8	N207 A208 E215	N207-R211 WeakPolarHBondContact O-CB 3.3Å; N207-R211 VanDerWaalsContact O-CG 3.24Å; N207-R211 WeakPolarHBondContact O-CG 3.4Å; N207-R211 PolarHBondContact O-N 3.41Å; N207-R211 VanDerWaalsContact O-N 3.15Å; A208-R211 PolarHBondContact O-N 2.75Å; R211-E215 WeakPolarHBondContact O-CG 3.43Å
212	W	98.8	Very high	97.7	Very high	8 Å²	8	54.1 Å²	54.1	3%	0.03	26%	0.264	C	S	.	.	H	α-helix	trans	-61.7	-44.7	174.9	-67.2	-21.1	0	0	0	111.7	N184 L185 A186 A208 F209 K210 E215 H232 F233 M236 I267 C269	N184-W212 HydrophobicContact CB-CD2 4.12Å; N184-W212 HydrophobicContact CB-CE3 4.03Å; N184-W212 HydrophobicContact CB-CH2 3.59Å; N184-W212 HydrophobicContact CB-CZ2 3.66Å; N184-W212 HydrophobicContact CB-CZ3 3.77Å; L185-W212 VanDerWaalsContact C-CZ2 3.47Å; L185-W212 PolarHBondContact O-NE1 3.21Å; A186-W212 HydrophobicContact CB-CZ2 3.51Å; A208-W212 HydrophobicContact CB-CZ2 4.41Å; A208-W212 WeakPolarHBondContact O-CB 3.43Å; A208-W212 VanDerWaalsContact O-CG 3.24Å; A208-W212 PolarHBondContact O-N 2.92Å; F209-W212 AromaticContact CD1-CE3 3.67Å; F209-W212 HydrophobicContact CD1-CE3 3.67Å; F209-W212 HydrophobicContact CD1-CH2 4.37Å; F209-W212 AromaticContact CD1-CZ3 3.49Å; F209-W212 HydrophobicContact CD1-CZ3 3.49Å; F209-W212 VanDerWaalsContact CD1-CZ3 3.49Å; F209-W212 HydrophobicContact CE1-CE3 4.28Å; F209-W212 HydrophobicContact CE1-CH2 4.29Å; F209-W212 AromaticContact CE1-CZ3 3.63Å; F209-W212 HydrophobicContact CE1-CZ3 3.63Å; F209-W212 PolarHBondContact O-N 3.47Å; K210-W212 PolarHBondContact O-N 3.01Å; W212-E215 WeakPolarHBondContact O-CB 3.5Å; W212-E215 WeakPolarHBondContact O-CG 3.34Å; W212-E215 PolarHBondContact O-N 3.31Å; W212-H232 HydrophobicContact CB-CB 3.53Å; W212-H232 AromaticContact CD1-CD2 3.82Å; W212-H232 AromaticContact CD1-CG 3.35Å; W212-H232 AromaticContact CD1-ND1 3.71Å; W212-H232 HydrophobicContact CD2-CB 4.16Å; W212-H232 HydrophobicContact CG-CB 3.41Å; W212-H232 VanDerWaalsContact CG-CB 3.41Å; W212-H232 AromaticContact CG-CG 3.94Å; W212-H232 AromaticContact NE1-CD2 3.64Å; W212-H232 AromaticContact NE1-CG 3.68Å; W212-F233 VanDerWaalsContact O-CA 3.32Å; W212-F233 WeakPolarHBondContact O-CA 3.4Å; W212-F233 VanDerWaalsContact O-CB 3.23Å; W212-F233 WeakPolarHBondContact O-CB 3.23Å; W212-F233 PolarHBondContact O-N 3.36Å; W212-M236 HydrophobicContact CB-SD 3.43Å; W212-M236 WeakPolarHBondContact CB-SD 3.35Å; W212-M236 HydrophobicContact CE3-CG 4.42Å; W212-M236 HydrophobicContact CE3-SD 4.08Å; W212-M236 HydrophobicContact CG-SD 4.44Å; W212-I267 HydrophobicContact CH2-CG2 4.04Å; W212-C269 HydrophobicContact CH2-CB 3.94Å; W212-C269 HydrophobicContact CZ3-CB 3.96Å
213	F	98.7	Very high	97.4	Very high	12 Å²	12	55.9 Å²	55.9	5%	0.053	28%	0.28	C	S	.	.	H	α-helix	trans	-66.2	-43.5	-179.1	-171.7	-98	0	0	0	112.1	Y124 K127 V128 V133 F209 K210 E215 Y216 F233 M236 I237	Y124-F213 HydrophobicContact CD1-CB 3.89Å; Y124-F213 AromaticContact CD1-CD1 3.49Å; Y124-F213 HydrophobicContact CD1-CD1 3.49Å; Y124-F213 VanDerWaalsContact CD1-CD1 3.49Å; Y124-F213 AromaticContact CD1-CD2 3.24Å; Y124-F213 HydrophobicContact CD1-CD2 3.24Å; Y124-F213 AromaticContact CD1-CE1 3.69Å; Y124-F213 HydrophobicContact CD1-CE1 3.69Å; Y124-F213 AromaticContact CD1-CE2 3.45Å; Y124-F213 HydrophobicContact CD1-CE2 3.45Å; Y124-F213 VanDerWaalsContact CD1-CE2 3.45Å; Y124-F213 AromaticContact CD1-CG 3.23Å; Y124-F213 HydrophobicContact CD1-CG 3.23Å; Y124-F213 AromaticContact CD1-CZ 3.65Å; Y124-F213 HydrophobicContact CD1-CZ 3.65Å; Y124-F213 HydrophobicContact CD2-CD2 4.44Å; Y124-F213 HydrophobicContact CE1-CB 3.73Å; Y124-F213 AromaticContact CE1-CD1 3.48Å; Y124-F213 HydrophobicContact CE1-CD1 3.48Å; Y124-F213 VanDerWaalsContact CE1-CD1 3.48Å; Y124-F213 AromaticContact CE1-CD2 3.97Å; Y124-F213 HydrophobicContact CE1-CD2 3.97Å; Y124-F213 AromaticContact CE1-CE1 3.99Å; Y124-F213 HydrophobicContact CE1-CE1 3.99Å; Y124-F213 HydrophobicContact CE1-CE2 4.42Å; Y124-F213 AromaticContact CE1-CG 3.44Å; Y124-F213 HydrophobicContact CE1-CG 3.44Å; Y124-F213 VanDerWaalsContact CE1-CG 3.44Å; Y124-F213 HydrophobicContact CE1-CZ 4.41Å; Y124-F213 HydrophobicContact CE2-CB 4.42Å; Y124-F213 HydrophobicContact CG-CB 4.29Å; Y124-F213 AromaticContact CG-CD2 3.52Å; Y124-F213 HydrophobicContact CG-CD2 3.52Å; Y124-F213 AromaticContact CG-CE2 3.86Å; Y124-F213 HydrophobicContact CG-CE2 3.86Å; Y124-F213 AromaticContact CG-CG 3.87Å; Y124-F213 HydrophobicContact CG-CG 3.87Å; Y124-F213 HydrophobicContact CG-CZ 4.47Å; K127-F213 HydrophobicContact CB-CZ 4.39Å; V128-F213 HydrophobicContact CG2-CE2 4.15Å; V128-F213 HydrophobicContact CG2-CZ 4.38Å; V133-F213 HydrophobicContact CG2-CE1 4.19Å; V133-F213 HydrophobicContact CG2-CZ 3.57Å; F209-F213 VanDerWaalsContact O-CB 3.25Å; F209-F213 WeakPolarHBondContact O-CB 3.21Å; F209-F213 PolarHBondContact O-N 3.42Å; K210-F213 PolarHBondContact O-N 3.04Å; F213-E215 PolarHBondContact O-N 3.29Å; F213-Y216 HydrophobicContact CD1-CD1 4.28Å; F213-Y216 HydrophobicContact CE1-CD1 4.33Å; F213-Y216 VanDerWaalsContact O-CD1 3.29Å; F213-Y216 WeakPolarHBondContact O-CD1 3.32Å; F213-Y216 PolarHBondContact O-N 3.08Å; F213-F233 AromaticContact CD2-CD2 3.89Å; F213-F233 HydrophobicContact CD2-CD2 3.89Å; F213-F233 AromaticContact CD2-CE2 3.86Å; F213-F233 HydrophobicContact CD2-CE2 3.86Å; F213-F233 HydrophobicContact CE2-CD2 4.26Å; F213-F233 AromaticContact CE2-CE2 3.74Å; F213-F233 HydrophobicContact CE2-CE2 3.74Å; F213-F233 HydrophobicContact CG-CD2 4.36Å; F213-F233 HydrophobicContact CZ-CE2 4.3Å; F213-F233 VanDerWaalsContact O-CD2 3.24Å; F213-F233 WeakPolarHBondContact O-CD2 3.5Å; F213-M236 HydrophobicContact CB-CE 4.38Å; F213-M236 HydrophobicContact CB-SD 4.3Å; F213-I237 HydrophobicContact CE2-CG2 4.2Å
214	D	98.6	Very high	97.1	Very high	57 Å²	57	58.4 Å²	58.4	31%	0.305	28%	0.284	S	S	.	.	H	α-helix	trans	-60.3	-14.8	-179.9	-73.6	-18	0	0	0	113.4	K210 Y216 T217	K210-D214 IonicContact NZ-OD1 3.04Å; K210-D214 IonicContact NZ-OD2 3.09Å; K210-D214 PolarHBondContact NZ-OD2 3.36Å; K210-D214 WeakPolarHBondContact O-CB 3.49Å; K210-D214 PolarHBondContact O-N 3.15Å; D214-Y216 PolarHBondContact O-N 3.25Å; D214-Y216 VanDerWaalsContact O-N 3.11Å; D214-T217 WeakPolarHBondContact O-CG2 3.35Å; D214-T217 PolarHBondContact O-N 2.97Å; D214-T217 PolarHBondContact O-OG1 3.38Å
215	E	98.4	Very high	96.8	Very high	22 Å²	22	60.8 Å²	60.8	10%	0.103	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-63.5	-10.1	170.4	-51.8	-180	166.1	0	0	113.4	R211 W212 F213 T217 Y218 Y219 V229 C230 G231 H232 F233	R211-E215 WeakPolarHBondContact O-CG 3.43Å; W212-E215 WeakPolarHBondContact O-CB 3.5Å; W212-E215 WeakPolarHBondContact O-CG 3.34Å; W212-E215 PolarHBondContact O-N 3.31Å; F213-E215 PolarHBondContact O-N 3.29Å; E215-T217 PolarHBondContact O-N 2.96Å; E215-T217 VanDerWaalsContact O-N 3.1Å; E215-Y218 HydrophobicContact CB-CD2 4.34Å; E215-Y218 PolarHBondContact O-N 3.5Å; E215-Y219 PolarHBondContact O-N 2.89Å; E215-V229 WeakPolarHBondContact CB-O 3.14Å; E215-C230 WeakPolarHBondContact OE2-CA 3.45Å; E215-C230 PolarHBondContact OE2-N 3.4Å; E215-G231 PolarHBondContact OE2-N 2.98Å; E215-H232 IonicContact OE1-CE1 2.88Å; E215-H232 IonicContact OE1-CG 3.75Å; E215-H232 IonicContact OE1-ND1 3.41Å; E215-H232 PolarHBondContact OE1-ND1 2.94Å; E215-H232 WeakPolarHBondContact OE2-CB 3.46Å; E215-H232 IonicContact OE2-CG 2.73Å; E215-H232 PolarHBondContact OE2-N 3.09Å; E215-H232 VanDerWaalsContact OE2-N 3.07Å; E215-H232 IonicContact OE2-ND1 3.72Å; E215-H232 PolarHBondContact OE2-ND1 3.38Å; E215-F233 HydrophobicContact CB-CB 3.88Å; E215-F233 PolarHBondContact OE2-N 3.19Å
216	Y	97.9	Very high	96.5	Very high	53 Å²	53	63.3 Å²	63.3	21%	0.208	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-52	-30.7	168.7	83.9	-93.1	0	0	0	112.2	V133 P134 F213 D214 Y218 Y219 F233	V133-Y216 HydrophobicContact CG1-CD1 4.19Å; V133-Y216 HydrophobicContact CG1-CD2 3.4Å; V133-Y216 HydrophobicContact CG1-CE2 3.84Å; V133-Y216 HydrophobicContact CG1-CG 3.61Å; P134-Y216 HydrophobicContact CB-CE2 4.23Å; P134-Y216 HydrophobicContact CG-CE2 4.23Å; F213-Y216 HydrophobicContact CD1-CD1 4.28Å; F213-Y216 HydrophobicContact CE1-CD1 4.33Å; F213-Y216 VanDerWaalsContact O-CD1 3.29Å; F213-Y216 WeakPolarHBondContact O-CD1 3.32Å; F213-Y216 PolarHBondContact O-N 3.08Å; D214-Y216 PolarHBondContact O-N 3.25Å; D214-Y216 VanDerWaalsContact O-N 3.11Å; Y216-Y218 PolarHBondContact O-N 2.79Å; Y216-Y219 PolarHBondContact O-N 2.99Å; Y216-F233 VanDerWaalsContact CB-CZ 3.43Å
217	T	98.3	Very high	96.4	Very high	79 Å²	79	64 Å²	64	49%	0.485	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-64.6	-21.4	177.6	59	0	0	0	0	113.3	D214 E215	D214-T217 WeakPolarHBondContact O-CG2 3.35Å; D214-T217 PolarHBondContact O-N 2.97Å; D214-T217 PolarHBondContact O-OG1 3.38Å; E215-T217 PolarHBondContact O-N 2.96Å; E215-T217 VanDerWaalsContact O-N 3.1Å
218	Y	97.3	Very high	96.2	Very high	84 Å²	84	66.2 Å²	66.2	33%	0.329	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-101.7	-7.4	178.6	-52.8	-50.6	0	0	0	113.2	E215 Y216 C226 S227 K228	E215-Y218 HydrophobicContact CB-CD2 4.34Å; E215-Y218 PolarHBondContact O-N 3.5Å; Y216-Y218 PolarHBondContact O-N 2.79Å; Y218-C226 CarbonylContact O-C 2.91Å; Y218-C226 VanDerWaalsContact O-CA 3.27Å; Y218-C226 WeakPolarHBondContact O-CA 3.39Å; Y218-S227 WeakPolarHBondContact CA-OG 3.29Å; Y218-S227 PolarHBondContact O-N 3.28Å; Y218-S227 PolarHBondContact O-OG 2.86Å; Y218-K228 HydrophobicContact CD1-CB 4.13Å; Y218-K228 HydrophobicContact CD1-CD 3.92Å; Y218-K228 HydrophobicContact CD1-CG 3.99Å; Y218-K228 HydrophobicContact CD2-CB 3.96Å; Y218-K228 HydrophobicContact CD2-CD 4.42Å; Y218-K228 HydrophobicContact CE1-CD 3.64Å; Y218-K228 HydrophobicContact CE1-CG 4.23Å; Y218-K228 HydrophobicContact CE2-CB 4.45Å; Y218-K228 HydrophobicContact CE2-CD 4.16Å; Y218-K228 HydrophobicContact CG-CB 3.79Å; Y218-K228 HydrophobicContact CG-CD 4.31Å; Y218-K228 HydrophobicContact CG-CG 4.19Å
219	Y	95.6	Very high	96	Very high	24 Å²	24	70.3 Å²	70.3	9%	0.094	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-98.9	131.2	-177.9	-177.5	-117.6	0	0	0	111.5	M136 E215 Y216 F221 R224 C230 F233 T234	M136-Y219 HydrophobicContact CE-CD1 3.79Å; M136-Y219 HydrophobicContact CE-CE1 3.94Å; M136-Y219 HydrophobicContact SD-CD1 3.96Å; E215-Y219 PolarHBondContact O-N 2.89Å; Y216-Y219 PolarHBondContact O-N 2.99Å; Y219-F221 HydrophobicContact CE1-CB 4.17Å; Y219-F221 HydrophobicContact CE1-CD2 4.02Å; Y219-R224 HydrophobicContact CE2-CB 4.24Å; Y219-C230 HydrophobicContact CD2-CB 4.37Å; Y219-F233 HydrophobicContact CD1-CD1 4.2Å; Y219-F233 AromaticContact CD1-CE1 3.9Å; Y219-F233 HydrophobicContact CD1-CE1 3.9Å; Y219-F233 HydrophobicContact CG-CD1 4.41Å; Y219-T234 HydrophobicContact CD1-CG2 3.98Å; Y219-T234 HydrophobicContact CD2-CG2 3.65Å; Y219-T234 HydrophobicContact CE1-CG2 3.9Å; Y219-T234 HydrophobicContact CE2-CG2 3.59Å; Y219-T234 HydrophobicContact CG-CG2 3.84Å
220	N	94.8	Very high	95.8	Very high	78 Å²	78	71 Å²	71	42%	0.417	37%	0.369	S	S	.	.			trans	-104.3	111	170.6	-179.5	-68.9	0	0	0	109.5	S222 T223 R224 A225	N220-S222 PolarHBondContact O-N 2.92Å; N220-S222 PolarHBondContact OD1-N 3.42Å; N220-T223 WeakPolarHBondContact CB-OG1 3.31Å; N220-T223 WeakPolarHBondContact OD1-CB 3.25Å; N220-T223 PolarHBondContact OD1-N 2.91Å; N220-T223 PolarHBondContact OD1-OG1 3.36Å; N220-R224 WeakPolarHBondContact O-CA 3.36Å; N220-R224 PolarHBondContact O-N 3.39Å; N220-A225 PolarHBondContact N-O 3.02Å
221	F	93.9	Very high	95.6	Very high	23 Å²	23	67 Å²	67	10%	0.101	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-43.5	-174.8	-173.2	-88.9	0	0	0	113.8	M136 P137 Y219 P281 Y283 T285	M136-F221 HydrophobicContact CE-CB 3.99Å; M136-F221 HydrophobicContact CE-CD2 3.58Å; M136-F221 HydrophobicContact CE-CG 4.21Å; M136-F221 HydrophobicContact SD-CB 4.08Å; P137-F221 HydrophobicContact CG-CB 4.39Å; P137-F221 HydrophobicContact CG-CD1 3.43Å; P137-F221 VanDerWaalsContact CG-CD1 3.43Å; P137-F221 HydrophobicContact CG-CD2 4.1Å; P137-F221 HydrophobicContact CG-CE1 3.57Å; P137-F221 HydrophobicContact CG-CE2 4.22Å; P137-F221 HydrophobicContact CG-CG 3.71Å; P137-F221 HydrophobicContact CG-CZ 3.97Å; Y219-F221 HydrophobicContact CE1-CB 4.17Å; Y219-F221 HydrophobicContact CE1-CD2 4.02Å; F221-P281 HydrophobicContact CE1-CB 4.35Å; F221-P281 HydrophobicContact CE2-CB 4.34Å; F221-P281 HydrophobicContact CZ-CB 3.81Å; F221-Y283 AromaticContact CD2-CE1 3.97Å; F221-Y283 HydrophobicContact CD2-CE1 3.97Å; F221-Y283 HydrophobicContact CD2-CE2 4.32Å; F221-Y283 AromaticContact CD2-CZ 3.76Å; F221-Y283 AromaticContact CE2-CD1 3.91Å; F221-Y283 HydrophobicContact CE2-CD1 3.91Å; F221-Y283 AromaticContact CE2-CD2 3.86Å; F221-Y283 HydrophobicContact CE2-CD2 3.86Å; F221-Y283 AromaticContact CE2-CE1 3.51Å; F221-Y283 HydrophobicContact CE2-CE1 3.51Å; F221-Y283 AromaticContact CE2-CE2 3.52Å; F221-Y283 HydrophobicContact CE2-CE2 3.52Å; F221-Y283 HydrophobicContact CE2-CG 4.07Å; F221-Y283 AromaticContact CE2-CZ 3.33Å; F221-Y283 HydrophobicContact CZ-CD2 4.02Å; F221-Y283 AromaticContact CZ-CE2 3.84Å; F221-Y283 HydrophobicContact CZ-CE2 3.84Å; F221-Y283 WeakPolarHBondContact CZ-O 3.25Å; F221-T285 HydrophobicContact CE1-CG2 3.67Å; F221-T285 HydrophobicContact CE2-CG2 4.46Å; F221-T285 HydrophobicContact CZ-CG2 3.5Å
222	S	91.8	Very high	95.6	Very high	112 Å²	112	59.5 Å²	59.5	78%	0.783	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-42.9	-174.8	-53.5	0	0	0	0	112.9	N220	N220-S222 PolarHBondContact O-N 2.92Å; N220-S222 PolarHBondContact OD1-N 3.42Å
223	T	92.8	Very high	95.5	Very high	89 Å²	89	59.1 Å²	59.1	55%	0.546	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-19.5	179.6	62	0	0	0	0	112.5	N220 A225	N220-T223 WeakPolarHBondContact CB-OG1 3.31Å; N220-T223 WeakPolarHBondContact OD1-CB 3.25Å; N220-T223 PolarHBondContact OD1-N 2.91Å; N220-T223 PolarHBondContact OD1-OG1 3.36Å; T223-A225 PolarHBondContact O-N 2.96Å; T223-A225 WeakPolarHBondContact OG1-CB 3.21Å; T223-A225 PolarHBondContact OG1-N 3.32Å
224	R	91.8	Very high	95.4	Very high	116 Å²	116	59 Å²	59	44%	0.438	33%	0.329	S	S	.	.			trans	59.6	13.7	-169	-53	166.6	-69.1	172.5	-6.7	113.7	Y219 N220 N279	Y219-R224 HydrophobicContact CE2-CB 4.24Å; N220-R224 WeakPolarHBondContact O-CA 3.36Å; N220-R224 PolarHBondContact O-N 3.39Å; R224-N279 PolarHBondContact NH1-O 2.91Å
225	A	92.8	Very high	95.4	Very high	54 Å²	54	56.5 Å²	56.5	45%	0.446	32%	0.316	S	S	.	.			trans	-78.1	152.4	177.2	0	0	0	0	0	110.4	N220 T223	N220-A225 PolarHBondContact N-O 3.02Å; T223-A225 PolarHBondContact O-N 2.96Å; T223-A225 WeakPolarHBondContact OG1-CB 3.21Å; T223-A225 PolarHBondContact OG1-N 3.32Å
226	C	92.4	Very high	95.4	Very high	53 Å²	53	55.5 Å²	55.5	36%	0.358	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-122.8	128.4	175.8	-52.4	0	0	0	0	110.2	Y218 K228 C230	Y218-C226 CarbonylContact O-C 2.91Å; Y218-C226 VanDerWaalsContact O-CA 3.27Å; Y218-C226 WeakPolarHBondContact O-CA 3.39Å; C226-K228 VanDerWaalsContact C-N 3.31Å; C226-K228 WeakPolarHBondContact CB-O 3.33Å; C226-C230 HydrophobicContact CB-CB 3.59Å; C226-C230 WeakPolarHBondContact CB-SG 3.34Å; C226-C230 WeakPolarHBondContact SG-CB 3.36Å; C226-C230 CovalentContact SG-SG 1.99Å; C226-C230 PolarHBondContact SG-SG 3.28Å
227	S	96.3	Very high	95.4	Very high	94 Å²	94	53 Å²	53	66%	0.657	30%	0.301	S	S	*	.	S	Bend	trans	-77.9	-21.5	175.8	59.9	0	0	0	0	112.4	Y218	Y218-S227 WeakPolarHBondContact CA-OG 3.29Å; Y218-S227 PolarHBondContact O-N 3.28Å; Y218-S227 PolarHBondContact O-OG 2.86Å
228	K	96	Very high	95.3	Very high	133 Å²	133	49.4 Å²	49.4	58%	0.578	28%	0.279	S	S	*	.	S	Bend	trans	-144.8	-164.9	171.5	-58.7	-170.9	-173.2	173.2	0	108.9	Y218 C226 C230	Y218-K228 HydrophobicContact CD1-CB 4.13Å; Y218-K228 HydrophobicContact CD1-CD 3.92Å; Y218-K228 HydrophobicContact CD1-CG 3.99Å; Y218-K228 HydrophobicContact CD2-CB 3.96Å; Y218-K228 HydrophobicContact CD2-CD 4.42Å; Y218-K228 HydrophobicContact CE1-CD 3.64Å; Y218-K228 HydrophobicContact CE1-CG 4.23Å; Y218-K228 HydrophobicContact CE2-CB 4.45Å; Y218-K228 HydrophobicContact CE2-CD 4.16Å; Y218-K228 HydrophobicContact CG-CB 3.79Å; Y218-K228 HydrophobicContact CG-CD 4.31Å; Y218-K228 HydrophobicContact CG-CG 4.19Å; C226-K228 VanDerWaalsContact C-N 3.31Å; C226-K228 WeakPolarHBondContact CB-O 3.33Å; K228-C230 PolarHBondContact O-N 3.39Å
229	V	93.7	Very high	95.2	Very high	92 Å²	92	47 Å²	47	56%	0.558	27%	0.272	S	S	*	.			trans	-58.1	129.2	170.3	-175.8	0	0	0	0	109.8	E215	E215-V229 WeakPolarHBondContact CB-O 3.14Å
230	C	95.4	Very high	95.1	Very high	14 Å²	14	47.2 Å²	47.2	10%	0.095	28%	0.277	C	S	.	.			trans	-140	-2.4	-179.2	66.3	0	0	0	0	112.3	E215 Y219 C226 K228 H232 F233 T234	E215-C230 WeakPolarHBondContact OE2-CA 3.45Å; E215-C230 PolarHBondContact OE2-N 3.4Å; Y219-C230 HydrophobicContact CD2-CB 4.37Å; C226-C230 HydrophobicContact CB-CB 3.59Å; C226-C230 WeakPolarHBondContact CB-SG 3.34Å; C226-C230 WeakPolarHBondContact SG-CB 3.36Å; C226-C230 CovalentContact SG-SG 1.99Å; C226-C230 PolarHBondContact SG-SG 3.28Å; K228-C230 PolarHBondContact O-N 3.39Å; C230-H232 PolarHBondContact O-N 3.47Å; C230-F233 PolarHBondContact O-N 2.9Å; C230-T234 WeakPolarHBondContact O-CG2 3.39Å; C230-T234 PolarHBondContact O-N 3.24Å; C230-T234 VanDerWaalsContact O-N 3.09Å; C230-T234 PolarHBondContact O-OG1 2.79Å
231	G	94.7	Very high	95.2	Very high	20 Å²	20	43.5 Å²	43.5	21%	0.206	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-31.9	-169.2	0	0	0	0	0	111.5	E215 T234 Q235 N276	E215-G231 PolarHBondContact OE2-N 2.98Å; G231-T234 WeakPolarHBondContact CA-OG1 3.48Å; G231-T234 PolarHBondContact O-OG1 3.15Å; G231-T234 VanDerWaalsContact O-OG1 3.11Å; G231-Q235 WeakPolarHBondContact O-CB 3.34Å; G231-Q235 PolarHBondContact O-N 3.08Å; G231-Q235 VanDerWaalsContact O-N 3.13Å; G231-N276 PolarHBondContact O-ND2 3.17Å
232	H	97.5	Very high	95.4	Very high	33 Å²	33	43.7 Å²	43.7	15%	0.153	26%	0.258	C	S	.	.	H	α-helix	trans	-72.4	-46.7	-179.9	-51.1	110.3	0	0	0	110.8	N184 L185 W212 E215 C230 T234 Q235 M236	N184-H232 PolarHBondContact ND2-O 3.46Å; N184-H232 VanDerWaalsContact ND2-O 3.08Å; L185-H232 PolarHBondContact O-NE2 1.99Å; W212-H232 HydrophobicContact CB-CB 3.53Å; W212-H232 AromaticContact CD1-CD2 3.82Å; W212-H232 AromaticContact CD1-CG 3.35Å; W212-H232 AromaticContact CD1-ND1 3.71Å; W212-H232 HydrophobicContact CD2-CB 4.16Å; W212-H232 HydrophobicContact CG-CB 3.41Å; W212-H232 VanDerWaalsContact CG-CB 3.41Å; W212-H232 AromaticContact CG-CG 3.94Å; W212-H232 AromaticContact NE1-CD2 3.64Å; W212-H232 AromaticContact NE1-CG 3.68Å; E215-H232 IonicContact OE1-CE1 2.88Å; E215-H232 IonicContact OE1-CG 3.75Å; E215-H232 IonicContact OE1-ND1 3.41Å; E215-H232 PolarHBondContact OE1-ND1 2.94Å; E215-H232 WeakPolarHBondContact OE2-CB 3.46Å; E215-H232 IonicContact OE2-CG 2.73Å; E215-H232 PolarHBondContact OE2-N 3.09Å; E215-H232 VanDerWaalsContact OE2-N 3.07Å; E215-H232 IonicContact OE2-ND1 3.72Å; E215-H232 PolarHBondContact OE2-ND1 3.38Å; C230-H232 PolarHBondContact O-N 3.47Å; H232-T234 PolarHBondContact O-N 3.1Å; H232-Q235 PolarHBondContact O-N 3.06Å; H232-M236 WeakPolarHBondContact O-CG 3.21Å; H232-M236 PolarHBondContact O-N 3.2Å
233	F	97.9	Very high	95.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-54.4	-55.3	174.6	170.1	-115.5	0	0	0	110.9	M136 W212 F213 E215 Y216 Y219 C230 Q235 M236 I237	M136-F233 HydrophobicContact CE-CE1 3.75Å; M136-F233 HydrophobicContact CE-CZ 3.96Å; M136-F233 HydrophobicContact SD-CE1 4.28Å; W212-F233 VanDerWaalsContact O-CA 3.32Å; W212-F233 WeakPolarHBondContact O-CA 3.4Å; W212-F233 VanDerWaalsContact O-CB 3.23Å; W212-F233 WeakPolarHBondContact O-CB 3.23Å; W212-F233 PolarHBondContact O-N 3.36Å; F213-F233 AromaticContact CD2-CD2 3.89Å; F213-F233 HydrophobicContact CD2-CD2 3.89Å; F213-F233 AromaticContact CD2-CE2 3.86Å; F213-F233 HydrophobicContact CD2-CE2 3.86Å; F213-F233 HydrophobicContact CE2-CD2 4.26Å; F213-F233 AromaticContact CE2-CE2 3.74Å; F213-F233 HydrophobicContact CE2-CE2 3.74Å; F213-F233 HydrophobicContact CG-CD2 4.36Å; F213-F233 HydrophobicContact CZ-CE2 4.3Å; F213-F233 VanDerWaalsContact O-CD2 3.24Å; F213-F233 WeakPolarHBondContact O-CD2 3.5Å; E215-F233 HydrophobicContact CB-CB 3.88Å; E215-F233 PolarHBondContact OE2-N 3.19Å; Y216-F233 VanDerWaalsContact CB-CZ 3.43Å; Y219-F233 HydrophobicContact CD1-CD1 4.2Å; Y219-F233 AromaticContact CD1-CE1 3.9Å; Y219-F233 HydrophobicContact CD1-CE1 3.9Å; Y219-F233 HydrophobicContact CG-CD1 4.41Å; C230-F233 PolarHBondContact O-N 2.9Å; F233-Q235 PolarHBondContact O-N 3.11Å; F233-M236 WeakPolarHBondContact O-CB 3.45Å; F233-M236 PolarHBondContact O-N 2.82Å; F233-I237 HydrophobicContact CD1-CD1 4.25Å; F233-I237 HydrophobicContact CD1-CG1 4.31Å; F233-I237 HydrophobicContact CD2-CG1 4.23Å; F233-I237 HydrophobicContact CD2-CG2 4.22Å; F233-I237 HydrophobicContact CE1-CD1 3.62Å; F233-I237 HydrophobicContact CE1-CG1 4.06Å; F233-I237 HydrophobicContact CE2-CD1 4.22Å; F233-I237 HydrophobicContact CE2-CG1 3.98Å; F233-I237 HydrophobicContact CE2-CG2 3.78Å; F233-I237 HydrophobicContact CG-CG1 4.4Å; F233-I237 HydrophobicContact CZ-CD1 3.61Å; F233-I237 HydrophobicContact CZ-CG1 3.89Å; F233-I237 HydrophobicContact CZ-CG2 4.34Å; F233-I237 WeakPolarHBondContact O-CG1 3.42Å; F233-I237 PolarHBondContact O-N 3.1Å; F233-I237 VanDerWaalsContact O-N 3.12Å
234	T	96.6	Very high	95.9	Very high	8 Å²	8	36.4 Å²	36.4	5%	0.049	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-34	-174.9	46.2	0	0	0	0	112.4	Y219 C230 G231 H232 K238 N276	Y219-T234 HydrophobicContact CD1-CG2 3.98Å; Y219-T234 HydrophobicContact CD2-CG2 3.65Å; Y219-T234 HydrophobicContact CE1-CG2 3.9Å; Y219-T234 HydrophobicContact CE2-CG2 3.59Å; Y219-T234 HydrophobicContact CG-CG2 3.84Å; C230-T234 WeakPolarHBondContact O-CG2 3.39Å; C230-T234 PolarHBondContact O-N 3.24Å; C230-T234 VanDerWaalsContact O-N 3.09Å; C230-T234 PolarHBondContact O-OG1 2.79Å; G231-T234 WeakPolarHBondContact CA-OG1 3.48Å; G231-T234 PolarHBondContact O-OG1 3.15Å; G231-T234 VanDerWaalsContact O-OG1 3.11Å; H232-T234 PolarHBondContact O-N 3.1Å; T234-K238 PolarHBondContact O-N 3.47Å; T234-K238 VanDerWaalsContact O-N 3.15Å; T234-N276 WeakPolarHBondContact CB-OD1 3.46Å; T234-N276 PolarHBondContact O-OD1 3.43Å; T234-N276 PolarHBondContact OG1-ND2 3.06Å; T234-N276 PolarHBondContact OG1-OD1 3.18Å; T234-N276 VanDerWaalsContact OG1-OD1 3.1Å
235	Q	97.4	Very high	96.3	Very high	6 Å²	6	30.9 Å²	30.9	3%	0.028	18%	0.184	C	C	.	.	H	α-helix	trans	-72.1	-40.7	172.5	-177.6	56.5	81.3	0	0	112.9	G231 H232 F233 I237 K238 S241 Y271 N276	G231-Q235 WeakPolarHBondContact O-CB 3.34Å; G231-Q235 PolarHBondContact O-N 3.08Å; G231-Q235 VanDerWaalsContact O-N 3.13Å; H232-Q235 PolarHBondContact O-N 3.06Å; F233-Q235 PolarHBondContact O-N 3.11Å; Q235-I237 PolarHBondContact O-N 3.01Å; Q235-K238 PolarHBondContact O-N 2.99Å; Q235-S241 PolarHBondContact NE2-OG 3.43Å; Q235-S241 VanDerWaalsContact NE2-OG 3.15Å; Q235-Y271 HydrophobicContact CG-CD1 4.5Å; Q235-Y271 HydrophobicContact CG-CD2 3.43Å; Q235-Y271 VanDerWaalsContact CG-CD2 3.43Å; Q235-Y271 HydrophobicContact CG-CE2 3.73Å; Q235-Y271 HydrophobicContact CG-CG 3.87Å; Q235-N276 HydrophobicContact CB-CB 4.16Å; Q235-N276 PolarHBondContact N-ND2 3.36Å; Q235-N276 PolarHBondContact N-OD1 3.39Å
236	M	98.3	Very high	96.5	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-57.3	-37	176.6	-72.5	178.6	75.2	0	0	111.9	Y124 R125 F209 W212 F213 H232 F233	Y124-M236 HydrophobicContact CD2-CE 3.57Å; Y124-M236 HydrophobicContact CE2-CE 4.14Å; Y124-M236 HydrophobicContact CG-CE 4.15Å; R125-M236 WeakPolarHBondContact CG-O 3.09Å; R125-M236 PolarHBondContact NH1-O 3.42Å; F209-M236 HydrophobicContact CB-CE 4.05Å; W212-M236 HydrophobicContact CB-SD 3.43Å; W212-M236 WeakPolarHBondContact CB-SD 3.35Å; W212-M236 HydrophobicContact CE3-CG 4.42Å; W212-M236 HydrophobicContact CE3-SD 4.08Å; W212-M236 HydrophobicContact CG-SD 4.44Å; F213-M236 HydrophobicContact CB-CE 4.38Å; F213-M236 HydrophobicContact CB-SD 4.3Å; H232-M236 WeakPolarHBondContact O-CG 3.21Å; H232-M236 PolarHBondContact O-N 3.2Å; F233-M236 WeakPolarHBondContact O-CB 3.45Å; F233-M236 PolarHBondContact O-N 2.82Å
237	I	97.5	Very high	96.8	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	15.9	-173.9	60.2	125.9	0	0	0	113.1	V128 M142 F213 F233 Q235 D239 A282 Y283	V128-I237 HydrophobicContact CG2-CB 4.3Å; V128-I237 HydrophobicContact CG2-CG2 3.66Å; M142-I237 WeakPolarHBondContact CE-O 3.42Å; F213-I237 HydrophobicContact CE2-CG2 4.2Å; F233-I237 HydrophobicContact CD1-CD1 4.25Å; F233-I237 HydrophobicContact CD1-CG1 4.31Å; F233-I237 HydrophobicContact CD2-CG1 4.23Å; F233-I237 HydrophobicContact CD2-CG2 4.22Å; F233-I237 HydrophobicContact CE1-CD1 3.62Å; F233-I237 HydrophobicContact CE1-CG1 4.06Å; F233-I237 HydrophobicContact CE2-CD1 4.22Å; F233-I237 HydrophobicContact CE2-CG1 3.98Å; F233-I237 HydrophobicContact CE2-CG2 3.78Å; F233-I237 HydrophobicContact CG-CG1 4.4Å; F233-I237 HydrophobicContact CZ-CD1 3.61Å; F233-I237 HydrophobicContact CZ-CG1 3.89Å; F233-I237 HydrophobicContact CZ-CG2 4.34Å; F233-I237 WeakPolarHBondContact O-CG1 3.42Å; F233-I237 PolarHBondContact O-N 3.1Å; F233-I237 VanDerWaalsContact O-N 3.12Å; Q235-I237 PolarHBondContact O-N 3.01Å; I237-D239 PolarHBondContact O-N 3.09Å; I237-A282 HydrophobicContact CD1-CB 3.68Å; I237-Y283 HydrophobicContact CD1-CD1 3.69Å; I237-Y283 HydrophobicContact CD1-CE1 3.47Å; I237-Y283 VanDerWaalsContact CD1-CE1 3.47Å
238	K	96.9	Very high	96.9	Very high	3 Å²	3	21.5 Å²	21.5	1%	0.013	12%	0.116	C	C	.	.			trans	-69.8	116	177.2	-171.4	52.3	172	-177.3	0	110.3	R125 T234 Q235 S240 S241 N275 S278 P281 A282	R125-K238 PolarHBondContact NH1-O 3.02Å; R125-K238 PolarHBondContact NH2-O 2.63Å; T234-K238 PolarHBondContact O-N 3.47Å; T234-K238 VanDerWaalsContact O-N 3.15Å; Q235-K238 PolarHBondContact O-N 2.99Å; K238-S240 VanDerWaalsContact C-N 3.28Å; K238-S240 PolarHBondContact O-N 3.35Å; K238-S241 PolarHBondContact O-N 3.29Å; K238-N275 WeakPolarHBondContact CD-OD1 3.3Å; K238-N275 WeakPolarHBondContact CE-O 3.45Å; K238-N275 WeakPolarHBondContact CE-OD1 3.38Å; K238-N275 WeakPolarHBondContact CG-OD1 3.44Å; K238-S278 PolarHBondContact NZ-OG 3.11Å; K238-P281 PolarHBondContact NZ-O 3.4Å; K238-A282 CarbonylContact C-O 3.57Å; K238-A282 WeakPolarHBondContact CA-O 3.3Å; K238-A282 WeakPolarHBondContact CD-O 3.36Å
239	D	95.9	Very high	97	Very high	33 Å²	33	15.2 Å²	15.2	18%	0.176	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-36.6	-172.8	61.6	-8.1	0	0	0	113.6	R125 V141 M142 N143 I237 S241 A282 Y283 E284	R125-D239 PolarHBondContact NH2-O 2.75Å; V141-D239 VanDerWaalsContact O-CB 3.25Å; V141-D239 WeakPolarHBondContact O-CB 3.38Å; M142-D239 HydrophobicContact SD-CB 4.49Å; N143-D239 VanDerWaalsContact CB-O 3.28Å; N143-D239 WeakPolarHBondContact CB-O 3.34Å; N143-D239 VanDerWaalsContact CG-O 3.28Å; N143-D239 PolarHBondContact N-O 3.17Å; N143-D239 PolarHBondContact ND2-O 3.27Å; N143-D239 VanDerWaalsContact ND2-O 3.14Å; I237-D239 PolarHBondContact O-N 3.09Å; D239-S241 VanDerWaalsContact C-N 3.33Å; D239-S241 PolarHBondContact O-N 3.15Å; D239-A282 PolarHBondContact N-O 2.97Å; D239-Y283 VanDerWaalsContact CG-CA 3.49Å; D239-Y283 VanDerWaalsContact OD2-CA 3.31Å; D239-Y283 WeakPolarHBondContact OD2-CA 3.32Å; D239-E284 PolarHBondContact OD2-N 2.96Å; D239-E284 VanDerWaalsContact OD2-N 3.13Å
240	S	93.6	Very high	97.1	Very high	29 Å²	29	12.5 Å²	12.5	20%	0.203	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-16.4	-178.1	55	0	0	0	0	114.1	K238 E242 P273 N275	K238-S240 VanDerWaalsContact C-N 3.28Å; K238-S240 PolarHBondContact O-N 3.35Å; S240-E242 PolarHBondContact O-N 3.22Å; S240-P273 VanDerWaalsContact O-CD 3.3Å; S240-P273 WeakPolarHBondContact O-CD 3.44Å; S240-N275 PolarHBondContact OG-ND2 2.87Å; S240-N275 PolarHBondContact OG-OD1 3.5Å
241	S	96.9	Very high	97.2	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.			trans	-67.2	131.5	174.5	-63.1	0	0	0	0	109.9	R125 N143 L145 Q235 K238 D239 P273	R125-S241 PolarHBondContact NH2-O 2.96Å; N143-S241 WeakPolarHBondContact CB-O 3.42Å; L145-S241 WeakPolarHBondContact CD2-O 3.42Å; Q235-S241 PolarHBondContact NE2-OG 3.43Å; Q235-S241 VanDerWaalsContact NE2-OG 3.15Å; K238-S241 PolarHBondContact O-N 3.29Å; D239-S241 VanDerWaalsContact C-N 3.33Å; D239-S241 PolarHBondContact O-N 3.15Å; S241-P273 PolarHBondContact OG-O 2.86Å
242	E	96.6	Very high	97.1	Very high	28 Å²	28	18.2 Å²	18.2	13%	0.131	9%	0.089	C	C	.	.			trans	-115.2	-28.8	-174.7	-66.7	165.8	-160.4	0	0	112.4	L145 T146 Y178 S240 G272 R295	L145-E242 WeakPolarHBondContact CA-O 3.45Å; T146-E242 PolarHBondContact N-O 3.24Å; Y178-E242 PolarHBondContact OH-OE2 3.2Å; S240-E242 PolarHBondContact O-N 3.22Å; E242-G272 PolarHBondContact N-O 3.42Å; E242-R295 PolarHBondContact O-NH2 3.19Å
243	K	97.9	Very high	96.9	Very high	48 Å²	48	23.5 Å²	23.5	21%	0.209	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.7	-174.5	-59.1	-64.7	-170.1	170.2	0	111.3	T146 I151 Y178 Y271 G272	T146-K243 CarbonylContact O-C 3.51Å; T146-K243 VanDerWaalsContact O-CA 3.3Å; T146-K243 WeakPolarHBondContact O-CA 3.32Å; T146-K243 PolarHBondContact OG1-NZ 3.24Å; I151-K243 HydrophobicContact CD1-CB 3.6Å; I151-K243 HydrophobicContact CD1-CG 4.25Å; Y178-K243 HydrophobicContact CE2-CB 4.44Å; Y178-K243 HydrophobicContact CE2-CG 3.84Å; Y178-K243 WeakPolarHBondContact OH-CG 3.14Å; K243-Y271 WeakPolarHBondContact O-CA 3.36Å; K243-G272 PolarHBondContact N-O 2.05Å; K243-G272 PolarHBondContact O-N 3.16Å
244	L	98.8	Very high	96.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.6	170.5	178.1	68.8	0	0	0	109.1	L118 H121 L145 T146 W147 S148 C269 N270 Y271	L118-L244 HydrophobicContact CD1-CB 4.21Å; L118-L244 HydrophobicContact CD1-CD2 4.09Å; H121-L244 HydrophobicContact CB-CD2 4Å; H121-L244 WeakPolarHBondContact ND1-CD2 3.47Å; L145-L244 HydrophobicContact CB-CB 4.24Å; L145-L244 HydrophobicContact CD1-CB 4.25Å; T146-L244 PolarHBondContact O-N 3.12Å; W147-L244 CarbonylContact C-O 3.48Å; W147-L244 WeakPolarHBondContact CA-O 3.48Å; W147-L244 HydrophobicContact CE3-CD2 4.44Å; W147-L244 HydrophobicContact CE3-CG 4.36Å; W147-L244 HydrophobicContact CZ3-CD2 4.37Å; W147-L244 HydrophobicContact CZ3-CG 4.31Å; S148-L244 PolarHBondContact N-O 3.03Å; L244-C269 HydrophobicContact CD1-CB 4.21Å; L244-N270 WeakPolarHBondContact CA-O 3.46Å; L244-Y271 HydrophobicContact CD1-CD1 3.88Å; L244-Y271 HydrophobicContact CD1-CE1 3.52Å
245	G	98.6	Very high	96.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	129.2	164.2	0	0	0	0	0	109.9	N270	G245-N270 PolarHBondContact N-O 2.93Å; G245-N270 PolarHBondContact O-N 3.39Å
246	C	98.8	Very high	96.7	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.02	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	154.8	-178.7	-56.6	0	0	0	0	112	W147 F205 V268 C269	W147-C246 HydrophobicContact CH2-CB 3.9Å; W147-C246 HydrophobicContact CZ3-CB 4.25Å; F205-C246 HydrophobicContact CE1-CB 3.77Å; F205-C246 HydrophobicContact CZ-CB 4.12Å; C246-V268 CarbonylContact C-O 3.6Å; C246-V268 WeakPolarHBondContact CA-O 3.49Å; C246-V268 WeakPolarHBondContact CB-O 3.49Å; C246-C269 HydrophobicContact CB-CB 4.14Å; C246-C269 WeakPolarHBondContact CB-SG 3.46Å; C246-C269 WeakPolarHBondContact SG-CB 3.38Å; C246-C269 CovalentContact SG-SG 2.05Å; C246-C269 PolarHBondContact SG-SG 2.89Å
247	G	98.1	Very high	96.2	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	153.6	170.5	0	0	0	0	0	110.9	I267 V268	G247-I267 WeakPolarHBondContact O-CA 3.02Å; G247-V268 PolarHBondContact N-O 3.19Å; G247-V268 PolarHBondContact O-N 3.41Å
248	I	98.2	Very high	96	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	142.2	176.5	-172	173.2	0	0	0	109.4	I107 L109 L195 L201 A204 F205 Y265 I266 I267	I107-I248 HydrophobicContact CB-CG2 3.96Å; I107-I248 HydrophobicContact CD1-CG2 4.42Å; I107-I248 PolarHBondContact N-O 2.84Å; L109-I248 HydrophobicContact CD2-CG2 3.6Å; L195-I248 HydrophobicContact CD1-CD1 3.79Å; L195-I248 HydrophobicContact CD1-CG1 4.25Å; L195-I248 HydrophobicContact CD2-CD1 4.2Å; L201-I248 HydrophobicContact CD2-CD1 4.03Å; L201-I248 HydrophobicContact CD2-CG2 3.83Å; A204-I248 HydrophobicContact CB-CD1 4.07Å; F205-I248 HydrophobicContact CE2-CB 4.49Å; F205-I248 HydrophobicContact CE2-CG2 4.28Å; F205-I248 HydrophobicContact CZ-CB 4.14Å; F205-I248 HydrophobicContact CZ-CG2 4.29Å; I248-Y265 HydrophobicContact CD1-CD2 4.01Å; I248-Y265 HydrophobicContact CD1-CG 4.42Å; I248-Y265 HydrophobicContact CG1-CD2 4.4Å; I248-I266 CarbonylContact C-O 3.48Å; I248-I266 VanDerWaalsContact CA-O 3.29Å; I248-I266 WeakPolarHBondContact CA-O 3.34Å; I248-I266 WeakPolarHBondContact CG1-O 2.79Å; I248-I267 HydrophobicContact CB-CG1 4.11Å; I248-I267 HydrophobicContact CD1-CD1 4.06Å; I248-I267 HydrophobicContact CD1-CG1 3.68Å; I248-I267 HydrophobicContact CG1-CG1 3.69Å
249	A	97.3	Very high	95.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	140.7	176	0	0	0	0	0	110.6	A106 A159 Y265 I266	A106-A249 HydrophobicContact CB-CB 4.42Å; A159-A249 VanDerWaalsContact C-CB 3.5Å; A159-A249 HydrophobicContact CB-CB 3.89Å; A159-A249 WeakPolarHBondContact O-CB 3.49Å; A249-Y265 WeakPolarHBondContact O-CA 3.29Å; A249-Y265 WeakPolarHBondContact O-CB 2.8Å; A249-I266 HydrophobicContact CB-CG2 4.08Å; A249-I266 PolarHBondContact N-O 2.98Å; A249-I266 PolarHBondContact O-N 2.78Å
250	L	96.6	Very high	95.7	Very high	36 Å²	36	44.8 Å²	44.8	19%	0.188	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	114.1	169.5	178.7	69.1	0	0	0	109.4	I107 T190 A192 L195 K252	I107-L250 HydrophobicContact CD1-CB 4.23Å; T190-L250 HydrophobicContact CG2-CD1 3.44Å; T190-L250 VanDerWaalsContact CG2-CD1 3.44Å; A192-L250 VanDerWaalsContact O-CD2 3.25Å; A192-L250 WeakPolarHBondContact O-CD2 3.31Å; L195-L250 HydrophobicContact CD1-CB 4.5Å; L195-L250 HydrophobicContact CD1-CD1 4.49Å; L250-K252 PolarHBondContact O-N 3.07Å
251	C	96.4	Very high	95.7	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.014	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	89.6	179.6	-58	0	0	0	0	110	C162 N253 G254 I255 A264	C162-C251 WeakPolarHBondContact CA-SG 3.38Å; C162-C251 HydrophobicContact CB-CB 3.67Å; C162-C251 WeakPolarHBondContact CB-SG 3.49Å; C162-C251 WeakPolarHBondContact SG-CA 3.44Å; C162-C251 WeakPolarHBondContact SG-CB 3.4Å; C162-C251 CovalentContact SG-SG 2.03Å; C162-C251 PolarHBondContact SG-SG 2.78Å; C251-N253 PolarHBondContact O-N 3.02Å; C251-G254 VanDerWaalsContact CB-O 3.31Å; C251-G254 WeakPolarHBondContact CB-O 3.27Å; C251-G254 PolarHBondContact O-N 3.21Å; C251-I255 HydrophobicContact CB-CG1 3.89Å; C251-A264 WeakPolarHBondContact CA-O 3.03Å; C251-A264 WeakPolarHBondContact CB-O 3.24Å; C251-A264 PolarHBondContact N-O 3.31Å; C251-A264 PolarHBondContact O-N 3.06Å; C251-A264 VanDerWaalsContact O-N 3.14Å
252	K	94.1	Very high	95.6	Very high	152 Å²	152	54 Å²	54	66%	0.661	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-37.3	-174.1	-64.5	-176.5	-179.6	-178.2	0	113.6	L250	L250-K252 PolarHBondContact O-N 3.07Å
253	N	93	Very high	95.6	Very high	143 Å²	143	54.7 Å²	54.7	77%	0.765	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	11	-179.6	-59.7	-26.2	0	0	0	112.9	C251 G261	C251-N253 PolarHBondContact O-N 3.02Å; N253-G261 PolarHBondContact O-N 2.78Å
254	G	95.6	Very high	95.5	Very high	9 Å²	9	52.4 Å²	52.4	9%	0.093	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	92.1	177.5	-175.6	0	0	0	0	0	114.4	C251 I259 R262	C251-G254 VanDerWaalsContact CB-O 3.31Å; C251-G254 WeakPolarHBondContact CB-O 3.27Å; C251-G254 PolarHBondContact O-N 3.21Å; G254-I259 CarbonylContact C-O 3.28Å; G254-I259 VanDerWaalsContact C-O 3.28Å; G254-I259 WeakPolarHBondContact CA-O 3.08Å; G254-R262 WeakPolarHBondContact CA-O 3.31Å; G254-R262 PolarHBondContact N-O 3.31Å
255	I	96.7	Very high	95.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.7	179.4	-62.4	163.3	0	0	0	108.4	C162 M164 A187 C251 Q257 F258 I259 A264 Y265 I266	C162-I255 WeakPolarHBondContact O-CA 3.48Å; M164-I255 HydrophobicContact CB-CG2 3.89Å; A187-I255 HydrophobicContact CB-CD1 3.46Å; A187-I255 VanDerWaalsContact CB-CD1 3.46Å; C251-I255 HydrophobicContact CB-CG1 3.89Å; I255-Q257 PolarHBondContact O-N 3.47Å; I255-F258 HydrophobicContact CB-CB 4.45Å; I255-F258 HydrophobicContact CG2-CB 4.05Å; I255-F258 PolarHBondContact O-N 3.21Å; I255-I259 HydrophobicContact CD1-CD1 4.44Å; I255-I259 PolarHBondContact N-O 3.29Å; I255-I259 CarbonylContact O-C 3.59Å; I255-I259 PolarHBondContact O-N 2.97Å; I255-I259 VanDerWaalsContact O-O 3.1Å; I255-A264 HydrophobicContact CD1-CB 3.81Å; I255-A264 HydrophobicContact CG1-CB 4.08Å; I255-Y265 WeakPolarHBondContact CD1-O 2.96Å; I255-I266 HydrophobicContact CD1-CB 3.87Å; I255-I266 HydrophobicContact CG1-CB 4.42Å; I255-I266 HydrophobicContact CG2-CD1 4.41Å
256	T	94.6	Very high	95.5	Very high	75 Å²	75	53.3 Å²	53.3	46%	0.46	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-50.6	131.1	-176.8	-56.2	0	0	0	0	111.5	C162 F258	C162-T256 PolarHBondContact O-N 2.79Å; C162-T256 PolarHBondContact O-OG1 2.83Å; T256-F258 PolarHBondContact O-N 2.79Å; T256-F258 VanDerWaalsContact O-N 3.14Å
257	Q	87.6	Confident	95.5	Very high	163 Å²	163	53.2 Å²	53.2	76%	0.762	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	13.9	-179	-56.9	-62.4	-27.1	0	0	115.8	I255	I255-Q257 PolarHBondContact O-N 3.47Å
258	F	93.7	Very high	95.5	Very high	115 Å²	115	53.1 Å²	53.1	50%	0.504	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.4	-56.9	-177.9	-166.6	-108.1	0	0	0	113.1	M164 A187 I255 T256	M164-F258 HydrophobicContact CB-CB 3.64Å; M164-F258 HydrophobicContact CB-CD1 4.44Å; M164-F258 HydrophobicContact CB-CD2 4.26Å; M164-F258 HydrophobicContact CB-CG 3.87Å; M164-F258 HydrophobicContact CG-CB 4.15Å; M164-F258 HydrophobicContact CG-CD1 4.15Å; M164-F258 HydrophobicContact CG-CD2 3.87Å; M164-F258 HydrophobicContact CG-CE2 4.31Å; M164-F258 HydrophobicContact CG-CG 3.78Å; A187-F258 HydrophobicContact CB-CD1 3.7Å; A187-F258 HydrophobicContact CB-CE1 3.55Å; I255-F258 HydrophobicContact CB-CB 4.45Å; I255-F258 HydrophobicContact CG2-CB 4.05Å; I255-F258 PolarHBondContact O-N 3.21Å; T256-F258 PolarHBondContact O-N 2.79Å; T256-F258 VanDerWaalsContact O-N 3.14Å
259	I	94	Very high	95.5	Very high	15 Å²	15	53.1 Å²	53.1	8%	0.077	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	103.5	176.7	-65.3	165.7	0	0	0	107.3	A187 T189 G254 I255 R262 A264	A187-I259 HydrophobicContact CB-CD1 4.41Å; T189-I259 HydrophobicContact CG2-CD1 4.19Å; T189-I259 HydrophobicContact CG2-CG2 3.82Å; G254-I259 CarbonylContact C-O 3.28Å; G254-I259 VanDerWaalsContact C-O 3.28Å; G254-I259 WeakPolarHBondContact CA-O 3.08Å; I255-I259 HydrophobicContact CD1-CD1 4.44Å; I255-I259 PolarHBondContact N-O 3.29Å; I255-I259 CarbonylContact O-C 3.59Å; I255-I259 PolarHBondContact O-N 2.97Å; I255-I259 VanDerWaalsContact O-O 3.1Å; I259-R262 HydrophobicContact CG2-CG 3.66Å; I259-A264 HydrophobicContact CB-CB 4.15Å; I259-A264 HydrophobicContact CD1-CB 3.94Å; I259-A264 HydrophobicContact CG2-CB 3.83Å
260	L	93.2	Very high	95.6	Very high	122 Å²	122	53.1 Å²	53.1	64%	0.639	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	142.6	-173.8	-56	-179.4	0	0	0	112	R262	L260-R262 VanDerWaalsContact C-N 3.27Å; L260-R262 PolarHBondContact O-N 2.91Å
261	G	93.1	Very high	95.7	Very high	78 Å²	78	51.4 Å²	51.4	80%	0.804	27%	0.27	S	S	*	.	S	Bend	trans	71.5	10.9	164.5	0	0	0	0	0	116.2	N253	N253-G261 PolarHBondContact O-N 2.78Å
262	R	94.6	Very high	95.7	Very high	145 Å²	145	51.3 Å²	51.3	55%	0.547	27%	0.269	S	S	.	.	S	Bend	trans	-144.6	151.6	177.6	60.8	-177.2	165.8	175.8	-1.6	111.9	T189 G254 I259 L260 A264	T189-R262 HydrophobicContact CG2-CG 4.33Å; G254-R262 WeakPolarHBondContact CA-O 3.31Å; G254-R262 PolarHBondContact N-O 3.31Å; I259-R262 HydrophobicContact CG2-CG 3.66Å; L260-R262 VanDerWaalsContact C-N 3.27Å; L260-R262 PolarHBondContact O-N 2.91Å; R262-A264 PolarHBondContact O-N 3.43Å
263	P	96.1	Very high	95.7	Very high	41 Å²	41	44.9 Å²	44.9	27%	0.266	24%	0.243	S	C	.	.			trans	-58.2	130.5	178.6	-22.4	32.5	0	0	0	111.9	T190	T190-P263 PolarHBondContact N-O 3.23Å; T190-P263 VanDerWaalsContact O-O 3.12Å
264	A	97.5	Very high	95.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	159.7	177.6	0	0	0	0	0	108.9	S188 C251 I255 I259 R262	S188-A264 CarbonylContact O-C 3.49Å; S188-A264 WeakPolarHBondContact O-CA 3.45Å; S188-A264 WeakPolarHBondContact O-CB 3.48Å; C251-A264 WeakPolarHBondContact CA-O 3.03Å; C251-A264 WeakPolarHBondContact CB-O 3.24Å; C251-A264 PolarHBondContact N-O 3.31Å; C251-A264 PolarHBondContact O-N 3.06Å; C251-A264 VanDerWaalsContact O-N 3.14Å; I255-A264 HydrophobicContact CD1-CB 3.81Å; I255-A264 HydrophobicContact CG1-CB 4.08Å; I259-A264 HydrophobicContact CB-CB 4.15Å; I259-A264 HydrophobicContact CD1-CB 3.94Å; I259-A264 HydrophobicContact CG2-CB 3.83Å; R262-A264 PolarHBondContact O-N 3.43Å
265	Y	97.7	Very high	94.7	Very high	20 Å²	20	40 Å²	40	8%	0.078	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	149.7	170.2	66	-99.5	0	0	0	111.2	A187 S188 T190 L195 A204 I248 A249 I255 I267	A187-Y265 VanDerWaalsContact CA-O 3.24Å; A187-Y265 WeakPolarHBondContact CA-O 3.38Å; S188-Y265 WeakPolarHBondContact CB-OH 3.27Å; S188-Y265 PolarHBondContact N-O 3.26Å; S188-Y265 VanDerWaalsContact N-O 3.07Å; S188-Y265 PolarHBondContact O-N 2.93Å; T190-Y265 HydrophobicContact CG2-CD1 3.77Å; L195-Y265 HydrophobicContact CD1-CD1 3.94Å; L195-Y265 HydrophobicContact CD1-CG 3.74Å; L195-Y265 HydrophobicContact CD2-CD1 4.2Å; L195-Y265 HydrophobicContact CD2-CE1 4.47Å; L195-Y265 HydrophobicContact CG-CD1 4.3Å; A204-Y265 HydrophobicContact CB-CD2 4.43Å; A204-Y265 HydrophobicContact CB-CE1 4.25Å; A204-Y265 HydrophobicContact CB-CE2 3.76Å; I248-Y265 HydrophobicContact CD1-CD2 4.01Å; I248-Y265 HydrophobicContact CD1-CG 4.42Å; I248-Y265 HydrophobicContact CG1-CD2 4.4Å; A249-Y265 WeakPolarHBondContact O-CA 3.29Å; A249-Y265 WeakPolarHBondContact O-CB 2.8Å; I255-Y265 WeakPolarHBondContact CD1-O 2.96Å; Y265-I267 HydrophobicContact CD2-CD1 4.21Å; Y265-I267 HydrophobicContact CD2-CG1 4.15Å; Y265-I267 HydrophobicContact CE2-CD1 3.84Å; Y265-I267 HydrophobicContact CE2-CG1 4.28Å
266	I	98.1	Very high	93.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.5	173.6	-170.5	168.9	0	0	0	109.3	A159 S163 M164 A186 I248 A249 I255	A159-I266 HydrophobicContact CB-CG2 4.14Å; A159-I266 WeakPolarHBondContact O-CG2 3.33Å; S163-I266 VanDerWaalsContact O-CD1 3.23Å; S163-I266 WeakPolarHBondContact O-CD1 3.14Å; M164-I266 HydrophobicContact SD-CD1 4.13Å; A186-I266 CarbonylContact O-C 3.58Å; A186-I266 WeakPolarHBondContact O-CA 3.35Å; A186-I266 WeakPolarHBondContact O-CG1 3.46Å; I248-I266 CarbonylContact C-O 3.48Å; I248-I266 VanDerWaalsContact CA-O 3.29Å; I248-I266 WeakPolarHBondContact CA-O 3.34Å; I248-I266 WeakPolarHBondContact CG1-O 2.79Å; A249-I266 HydrophobicContact CB-CG2 4.08Å; A249-I266 PolarHBondContact N-O 2.98Å; A249-I266 PolarHBondContact O-N 2.78Å; I255-I266 HydrophobicContact CD1-CB 3.87Å; I255-I266 HydrophobicContact CG1-CB 4.42Å; I255-I266 HydrophobicContact CG2-CD1 4.41Å
267	I	98.7	Very high	92.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	133.4	173.1	-69.3	167	0	0	0	107.8	L185 A186 A204 F205 A208 W212 G247 I248 Y265	L185-I267 WeakPolarHBondContact CA-O 3.42Å; A186-I267 HydrophobicContact CB-CB 4.36Å; A186-I267 PolarHBondContact N-O 3.38Å; A186-I267 PolarHBondContact O-N 3.46Å; A204-I267 HydrophobicContact CB-CD1 4.29Å; A204-I267 WeakPolarHBondContact O-CD1 3.14Å; F205-I267 HydrophobicContact CD1-CD1 3.92Å; F205-I267 HydrophobicContact CD1-CG1 4.34Å; F205-I267 HydrophobicContact CD1-CG2 3.85Å; F205-I267 HydrophobicContact CE1-CB 4.48Å; F205-I267 HydrophobicContact CE1-CD1 4.27Å; F205-I267 HydrophobicContact CE1-CG1 4.19Å; F205-I267 HydrophobicContact CE1-CG2 3.51Å; F205-I267 HydrophobicContact CG-CD1 4.32Å; A208-I267 HydrophobicContact CB-CD1 3.85Å; W212-I267 HydrophobicContact CH2-CG2 4.04Å; G247-I267 WeakPolarHBondContact O-CA 3.02Å; I248-I267 HydrophobicContact CB-CG1 4.11Å; I248-I267 HydrophobicContact CD1-CD1 4.06Å; I248-I267 HydrophobicContact CD1-CG1 3.68Å; I248-I267 HydrophobicContact CG1-CG1 3.69Å; Y265-I267 HydrophobicContact CD2-CD1 4.21Å; Y265-I267 HydrophobicContact CD2-CG1 4.15Å; Y265-I267 HydrophobicContact CE2-CD1 3.84Å; Y265-I267 HydrophobicContact CE2-CG1 4.28Å
268	V	98.7	Very high	91.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	126.5	170.5	-175.5	0	0	0	0	107.2	A155 W158 A159 E183 N184 L185 C246 G247	A155-V268 HydrophobicContact CB-CB 4.1Å; A155-V268 HydrophobicContact CB-CG1 3.88Å; W158-V268 HydrophobicContact CB-CG1 4.35Å; W158-V268 HydrophobicContact CB-CG2 4.32Å; A159-V268 HydrophobicContact CB-CB 4.41Å; A159-V268 HydrophobicContact CB-CG2 3.72Å; E183-V268 HydrophobicContact CG-CG1 3.91Å; N184-V268 WeakPolarHBondContact O-CA 3.38Å; L185-V268 HydrophobicContact CD2-CB 4.1Å; L185-V268 HydrophobicContact CD2-CG1 3.9Å; L185-V268 HydrophobicContact CD2-CG2 3.58Å; C246-V268 CarbonylContact C-O 3.6Å; C246-V268 WeakPolarHBondContact CA-O 3.49Å; C246-V268 WeakPolarHBondContact CB-O 3.49Å; G247-V268 PolarHBondContact N-O 3.19Å; G247-V268 PolarHBondContact O-N 3.41Å
269	C	98.9	Very high	90.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.3	168.8	-74.9	0	0	0	0	109.3	E183 N184 W212 L244 C246 Y271	E183-C269 WeakPolarHBondContact CA-O 3.21Å; N184-C269 PolarHBondContact N-O 3.19Å; N184-C269 PolarHBondContact O-N 3.32Å; W212-C269 HydrophobicContact CH2-CB 3.94Å; W212-C269 HydrophobicContact CZ3-CB 3.96Å; L244-C269 HydrophobicContact CD1-CB 4.21Å; C246-C269 HydrophobicContact CB-CB 4.14Å; C246-C269 WeakPolarHBondContact CB-SG 3.46Å; C246-C269 WeakPolarHBondContact SG-CB 3.38Å; C246-C269 CovalentContact SG-SG 2.05Å; C246-C269 PolarHBondContact SG-SG 2.89Å; C269-Y271 HydrophobicContact CB-CE2 4.05Å; C269-Y271 WeakPolarHBondContact O-CE2 3.04Å
270	N	98.7	Very high	89.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	141.7	-178.9	-77.6	-7.8	0	0	0	111.2	I151 A155 I181 G182 E183 L244 G245	I151-N270 HydrophobicContact CG2-CB 3.31Å; I151-N270 WeakPolarHBondContact CG2-O 3.47Å; A155-N270 HydrophobicContact CB-CB 4.26Å; I181-N270 HydrophobicContact CG2-CB 3.6Å; G182-N270 CarbonylContact O-C 3.56Å; G182-N270 WeakPolarHBondContact O-CA 3.35Å; E183-N270 WeakPolarHBondContact CG-OD1 3.08Å; L244-N270 WeakPolarHBondContact CA-O 3.46Å; G245-N270 PolarHBondContact N-O 2.93Å; G245-N270 PolarHBondContact O-N 3.39Å
271	Y	98.3	Very high	89.7	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.7	-172.7	-55	-97.6	0	0	0	110.8	H121 L145 I181 G182 N184 Q235 K243 L244 C269 P273 G274	H121-Y271 AromaticContact CD2-CE1 3.71Å; H121-Y271 AromaticContact NE2-CE1 3.61Å; H121-Y271 AromaticContact NE2-CZ 3.57Å; H121-Y271 PolarHBondContact NE2-OH 2.9Å; L145-Y271 HydrophobicContact CD1-CD1 4.44Å; L145-Y271 HydrophobicContact CD1-CE1 4.49Å; I181-Y271 CarbonylContact C-O 3.59Å; I181-Y271 WeakPolarHBondContact CA-O 3.14Å; G182-Y271 PolarHBondContact N-O 3.43Å; G182-Y271 PolarHBondContact O-N 3.46Å; N184-Y271 HydrophobicContact CB-CE2 3.93Å; N184-Y271 PolarHBondContact ND2-OH 3.47Å; Q235-Y271 HydrophobicContact CG-CD1 4.5Å; Q235-Y271 HydrophobicContact CG-CD2 3.43Å; Q235-Y271 VanDerWaalsContact CG-CD2 3.43Å; Q235-Y271 HydrophobicContact CG-CE2 3.73Å; Q235-Y271 HydrophobicContact CG-CG 3.87Å; K243-Y271 WeakPolarHBondContact O-CA 3.36Å; L244-Y271 HydrophobicContact CD1-CD1 3.88Å; L244-Y271 HydrophobicContact CD1-CE1 3.52Å; C269-Y271 HydrophobicContact CB-CE2 4.05Å; C269-Y271 WeakPolarHBondContact O-CE2 3.04Å; Y271-P273 CarbonylContact O-C 3.53Å; Y271-G274 PolarHBondContact O-N 3.06Å; Y271-G274 VanDerWaalsContact O-N 3.11Å
272	G	96.5	Very high	89.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.7	179.9	0	0	0	0	0	112.1	E242 K243	E242-G272 PolarHBondContact N-O 3.42Å; K243-G272 PolarHBondContact N-O 2.05Å; K243-G272 PolarHBondContact O-N 3.16Å
273	P	93.6	Very high	89.7	Confident	16 Å²	16	34.7 Å²	34.7	10%	0.104	18%	0.179	C	C	.	.	S	Bend	cis	-71.4	160.2	-17.4	32.5	-35.6	0	0	0	112.1	Y178 N180 S240 S241 Y271	Y178-P273 HydrophobicContact CD1-CB 3.75Å; Y178-P273 HydrophobicContact CD1-CG 4.13Å; Y178-P273 HydrophobicContact CE1-CB 4.43Å; Y178-P273 VanDerWaalsContact CE1-CD 3.49Å; Y178-P273 HydrophobicContact CE1-CG 4.35Å; Y178-P273 HydrophobicContact CG-CB 4.16Å; N180-P273 WeakPolarHBondContact O-CA 3.37Å; S240-P273 VanDerWaalsContact O-CD 3.3Å; S240-P273 WeakPolarHBondContact O-CD 3.44Å; S241-P273 PolarHBondContact OG-O 2.86Å; Y271-P273 CarbonylContact O-C 3.53Å
274	G	89.5	Confident	89.7	Confident	3 Å²	3	35.1 Å²	35.1	3%	0.031	18%	0.177	C	C	.	.			trans	-102.4	118.7	167.2	0	0	0	0	0	112	N180 Y271	N180-G274 WeakPolarHBondContact CB-O 3.05Å; N180-G274 PolarHBondContact ND2-O 2.96Å; N180-G274 PolarHBondContact O-N 3.46Å; Y271-G274 PolarHBondContact O-N 3.06Å; Y271-G274 VanDerWaalsContact O-N 3.11Å
275	N	80.1	Confident	89.6	Confident	47 Å²	47	37.8 Å²	37.8	25%	0.251	19%	0.194	S	C	.	.			trans	-146.9	34.2	179.8	62.4	-7.6	0	0	0	111.4	K238 S240 F277 S278	K238-N275 WeakPolarHBondContact CD-OD1 3.3Å; K238-N275 WeakPolarHBondContact CE-O 3.45Å; K238-N275 WeakPolarHBondContact CE-OD1 3.38Å; K238-N275 WeakPolarHBondContact CG-OD1 3.44Å; S240-N275 PolarHBondContact OG-ND2 2.87Å; S240-N275 PolarHBondContact OG-OD1 3.5Å; N275-F277 PolarHBondContact O-N 2.8Å; N275-S278 WeakPolarHBondContact O-CB 3.3Å; N275-S278 PolarHBondContact O-N 3.39Å; N275-S278 PolarHBondContact O-OG 3.07Å
276	N	77.8	Confident	89.4	Confident	22 Å²	22	38.9 Å²	38.9	12%	0.118	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-32.9	-177.2	-167.4	36.5	0	0	0	113.4	G231 T234 Q235 S278	G231-N276 PolarHBondContact O-ND2 3.17Å; T234-N276 WeakPolarHBondContact CB-OD1 3.46Å; T234-N276 PolarHBondContact O-OD1 3.43Å; T234-N276 PolarHBondContact OG1-ND2 3.06Å; T234-N276 PolarHBondContact OG1-OD1 3.18Å; T234-N276 VanDerWaalsContact OG1-OD1 3.1Å; Q235-N276 HydrophobicContact CB-CB 4.16Å; Q235-N276 PolarHBondContact N-ND2 3.36Å; Q235-N276 PolarHBondContact N-OD1 3.39Å; N276-S278 VanDerWaalsContact C-N 3.32Å; N276-S278 PolarHBondContact O-N 2.92Å
277	F	66.3	Low	89	Confident	195 Å²	195	44.4 Å²	44.4	86%	0.855	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	18.8	-179.4	-55	-76.3	0	0	0	114	N275	N275-F277 PolarHBondContact O-N 2.8Å
278	S	65.7	Low	88.5	Confident	38 Å²	38	48.4 Å²	48.4	27%	0.266	28%	0.277	S	S	.	.	S	Bend	trans	-70.7	161.8	175.5	55	0	0	0	0	111.9	K238 N275 N276 K280	K238-S278 PolarHBondContact NZ-OG 3.11Å; N275-S278 WeakPolarHBondContact O-CB 3.3Å; N275-S278 PolarHBondContact O-N 3.39Å; N275-S278 PolarHBondContact O-OG 3.07Å; N276-S278 VanDerWaalsContact C-N 3.32Å; N276-S278 PolarHBondContact O-N 2.92Å; S278-K280 PolarHBondContact O-N 2.85Å
279	N	72.9	Confident	88.2	Confident	135 Å²	135	53.5 Å²	53.5	72%	0.722	30%	0.299	S	S	*	.	S	Bend	trans	-72.4	14.5	171.8	68.3	-15.7	0	0	0	113.5	R224	R224-N279 PolarHBondContact NH1-O 2.91Å
280	K	81.6	Confident	87.9	Confident	142 Å²	142	59.9 Å²	59.9	62%	0.617	33%	0.329	S	S	*	.	S	Bend	trans	-108.8	153.5	180	-62.9	-176.9	-179.2	179.3	0	110.7	S278	S278-K280 PolarHBondContact O-N 2.85Å
281	P	88.7	Confident	87.8	Confident	62 Å²	62	60.5 Å²	60.5	40%	0.403	33%	0.333	S	S	.	.			trans	-55.2	162.1	169.5	-23.7	34.5	0	0	0	112.5	F221 K238 Y283	F221-P281 HydrophobicContact CE1-CB 4.35Å; F221-P281 HydrophobicContact CE2-CB 4.34Å; F221-P281 HydrophobicContact CZ-CB 3.81Å; K238-P281 PolarHBondContact NZ-O 3.4Å; P281-Y283 PolarHBondContact O-N 3.01Å
282	A	92.3	Very high	87.5	Confident	3 Å²	3	62.6 Å²	62.6	3%	0.025	35%	0.347	C	S	.	.	S	Bend	trans	-63.7	-28.4	175.8	0	0	0	0	0	112.1	I237 K238 D239	I237-A282 HydrophobicContact CD1-CB 3.68Å; K238-A282 CarbonylContact C-O 3.57Å; K238-A282 WeakPolarHBondContact CA-O 3.3Å; K238-A282 WeakPolarHBondContact CD-O 3.36Å; D239-A282 PolarHBondContact N-O 2.97Å
283	Y	96	Very high	87.2	Confident	5 Å²	5	65.5 Å²	65.5	2%	0.02	36%	0.361	C	S	.	.	S	Bend	trans	-157.1	162.3	176.2	52.2	-96.6	0	0	0	112.7	V128 M136 P137 A139 M142 F221 I237 D239 P281 T285	V128-Y283 HydrophobicContact CG1-CD1 4.02Å; V128-Y283 HydrophobicContact CG1-CE1 3.43Å; V128-Y283 VanDerWaalsContact CG1-CE1 3.43Å; V128-Y283 HydrophobicContact CG1-CE2 4.08Å; V128-Y283 VanDerWaalsContact CG1-CZ 3.43Å; M136-Y283 HydrophobicContact CE-CE1 4.03Å; M136-Y283 VanDerWaalsContact CE-OH 3.29Å; M136-Y283 WeakPolarHBondContact CE-OH 3.15Å; P137-Y283 HydrophobicContact CG-CE2 4.2Å; P137-Y283 VanDerWaalsContact O-CE2 3.26Å; P137-Y283 WeakPolarHBondContact O-CE2 3.45Å; P137-Y283 VanDerWaalsContact O-CZ 3.32Å; P137-Y283 PolarHBondContact O-OH 3.09Å; A139-Y283 VanDerWaalsContact CA-CD2 3.48Å; A139-Y283 HydrophobicContact CB-CD1 4.42Å; A139-Y283 HydrophobicContact CB-CD2 3.35Å; A139-Y283 HydrophobicContact CB-CE2 3.77Å; A139-Y283 HydrophobicContact CB-CG 3.68Å; M142-Y283 HydrophobicContact CE-CD1 4Å; M142-Y283 HydrophobicContact CE-CG 3.98Å; F221-Y283 AromaticContact CD2-CE1 3.97Å; F221-Y283 HydrophobicContact CD2-CE1 3.97Å; F221-Y283 HydrophobicContact CD2-CE2 4.32Å; F221-Y283 AromaticContact CD2-CZ 3.76Å; F221-Y283 AromaticContact CE2-CD1 3.91Å; F221-Y283 HydrophobicContact CE2-CD1 3.91Å; F221-Y283 AromaticContact CE2-CD2 3.86Å; F221-Y283 HydrophobicContact CE2-CD2 3.86Å; F221-Y283 AromaticContact CE2-CE1 3.51Å; F221-Y283 HydrophobicContact CE2-CE1 3.51Å; F221-Y283 AromaticContact CE2-CE2 3.52Å; F221-Y283 HydrophobicContact CE2-CE2 3.52Å; F221-Y283 HydrophobicContact CE2-CG 4.07Å; F221-Y283 AromaticContact CE2-CZ 3.33Å; F221-Y283 HydrophobicContact CZ-CD2 4.02Å; F221-Y283 AromaticContact CZ-CE2 3.84Å; F221-Y283 HydrophobicContact CZ-CE2 3.84Å; F221-Y283 WeakPolarHBondContact CZ-O 3.25Å; I237-Y283 HydrophobicContact CD1-CD1 3.69Å; I237-Y283 HydrophobicContact CD1-CE1 3.47Å; I237-Y283 VanDerWaalsContact CD1-CE1 3.47Å; D239-Y283 VanDerWaalsContact CG-CA 3.49Å; D239-Y283 VanDerWaalsContact OD2-CA 3.31Å; D239-Y283 WeakPolarHBondContact OD2-CA 3.32Å; P281-Y283 PolarHBondContact O-N 3.01Å; Y283-T285 HydrophobicContact CD2-CG2 3.88Å; Y283-T285 HydrophobicContact CE2-CG2 3.69Å
284	E	95.4	Very high	87.2	Confident	50 Å²	50	65.8 Å²	65.8	23%	0.234	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-69.9	139.1	170.6	-177.6	59.3	-95.4	0	0	112.6	A139 T140 V141 D239 A286 K289	A139-E284 WeakPolarHBondContact CA-O 3.4Å; T140-E284 PolarHBondContact N-O 3.01Å; T140-E284 WeakPolarHBondContact OG1-CG 3.28Å; T140-E284 PolarHBondContact OG1-O 3.27Å; V141-E284 HydrophobicContact CB-CB 3.89Å; V141-E284 HydrophobicContact CB-CG 4.44Å; V141-E284 HydrophobicContact CG2-CB 3.98Å; V141-E284 HydrophobicContact CG2-CG 3.98Å; D239-E284 PolarHBondContact OD2-N 2.96Å; D239-E284 VanDerWaalsContact OD2-N 3.13Å; E284-A286 HydrophobicContact CG-CB 4.39Å; E284-A286 WeakPolarHBondContact OE1-CB 3.42Å; E284-A286 PolarHBondContact OE1-N 3.21Å; E284-K289 HydrophobicContact CG-CB 4.37Å; E284-K289 HydrophobicContact CG-CD 3.91Å; E284-K289 HydrophobicContact CG-CG 4.19Å; E284-K289 WeakPolarHBondContact OE2-CD 3.43Å; E284-K289 WeakPolarHBondContact OE2-CE 3.42Å; E284-K289 IonicContact OE2-NZ 3.76Å; E284-K289 PolarHBondContact OE2-NZ 3.36Å
285	T	96.1	Very high	87.5	Confident	56 Å²	56	66 Å²	66	34%	0.344	36%	0.362	S	S	.	.			trans	-122.3	-7	178.5	59.2	0	0	0	0	113.1	P137 F221 Y283 N287	P137-T285 HydrophobicContact CB-CG2 3.75Å; P137-T285 HydrophobicContact CG-CG2 3.55Å; F221-T285 HydrophobicContact CE1-CG2 3.67Å; F221-T285 HydrophobicContact CE2-CG2 4.46Å; F221-T285 HydrophobicContact CZ-CG2 3.5Å; Y283-T285 HydrophobicContact CD2-CG2 3.88Å; Y283-T285 HydrophobicContact CE2-CG2 3.69Å; T285-N287 PolarHBondContact O-N 2.8Å
286	A	93.7	Very high	88.1	Confident	42 Å²	42	67 Å²	67	35%	0.347	37%	0.371	S	S	.	.			trans	-68.2	126.3	177.7	0	0	0	0	0	110.6	T140 E284 K289	T140-A286 VanDerWaalsContact CB-O 3.28Å; T140-A286 WeakPolarHBondContact CB-O 3.13Å; T140-A286 WeakPolarHBondContact CG2-O 3.41Å; T140-A286 PolarHBondContact OG1-O 2.76Å; E284-A286 HydrophobicContact CG-CB 4.39Å; E284-A286 WeakPolarHBondContact OE1-CB 3.42Å; E284-A286 PolarHBondContact OE1-N 3.21Å; A286-K289 HydrophobicContact CB-CG 4.23Å
287	N	90.1	Very high	89	Confident	117 Å²	117	69.9 Å²	69.9	63%	0.626	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	149.2	175.9	-70.1	-30.8	0	0	0	111.1	T285 K289	T285-N287 PolarHBondContact O-N 2.8Å; N287-K289 VanDerWaalsContact C-N 3.27Å; N287-K289 PolarHBondContact O-N 2.96Å
288	G	88.9	Confident	90.5	Very high	84 Å²	84	66.1 Å²	66.1	87%	0.866	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	-0.6	175.3	0	0	0	0	0	115.7	E290	G288-E290 PolarHBondContact O-N 2.76Å
289	K	91.7	Very high	91.9	Very high	106 Å²	106	71.4 Å²	71.4	46%	0.461	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-66.3	132.2	173.4	-77.3	-133.3	-176.7	164.2	0	111.9	V141 E284 A286 N287 R298	V141-K289 HydrophobicContact CG2-CB 3.79Å; E284-K289 HydrophobicContact CG-CB 4.37Å; E284-K289 HydrophobicContact CG-CD 3.91Å; E284-K289 HydrophobicContact CG-CG 4.19Å; E284-K289 WeakPolarHBondContact OE2-CD 3.43Å; E284-K289 WeakPolarHBondContact OE2-CE 3.42Å; E284-K289 IonicContact OE2-NZ 3.76Å; E284-K289 PolarHBondContact OE2-NZ 3.36Å; A286-K289 HydrophobicContact CB-CG 4.23Å; N287-K289 VanDerWaalsContact C-N 3.27Å; N287-K289 PolarHBondContact O-N 2.96Å; K289-R298 PolarHBondContact O-NH2 2.89Å
290	E	93.2	Very high	93	Very high	134 Å²	134	68.5 Å²	68.5	63%	0.626	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-65.2	152.6	170.6	-67.6	-178.3	179.2	0	0	110.6	G288 K312	G288-E290 PolarHBondContact O-N 2.76Å; E290-K312 IonicContact OE1-NZ 2.63Å; E290-K312 IonicContact OE2-NZ 3.84Å; E290-K312 PolarHBondContact OE2-NZ 3.37Å
291	C	95.1	Very high	93.7	Very high	13 Å²	13	67.7 Å²	67.7	9%	0.088	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-63.9	150.9	167.7	-78	0	0	0	0	110.7	R295 C303	C291-R295 WeakPolarHBondContact CB-O 3.37Å; C291-C303 WeakPolarHBondContact CA-SG 3.39Å; C291-C303 HydrophobicContact CB-CB 3.58Å; C291-C303 WeakPolarHBondContact CB-SG 3.49Å; C291-C303 WeakPolarHBondContact SG-CA 3.33Å; C291-C303 WeakPolarHBondContact SG-CB 3.43Å; C291-C303 CovalentContact SG-SG 2.04Å; C291-C303 PolarHBondContact SG-SG 2.76Å
292	P	92.8	Very high	94.2	Very high	44 Å²	44	64.8 Å²	64.8	29%	0.286	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-67.3	155.6	-177.3	30.9	-36.3	0	0	0	110.5	V141 N143 V294 R295 P296	V141-P292 HydrophobicContact CG1-CG 4.43Å; N143-P292 WeakPolarHBondContact OD1-CG 3.11Å; P292-V294 HydrophobicContact CB-CG1 4.15Å; P292-V294 HydrophobicContact CG-CG1 4.06Å; P292-V294 PolarHBondContact O-N 2.81Å; P292-V294 VanDerWaalsContact O-N 3.1Å; P292-R295 HydrophobicContact CG-CB 4.36Å; P292-R295 CarbonylContact O-C 3.43Å; P292-R295 WeakPolarHBondContact O-CA 3.31Å; P292-R295 PolarHBondContact O-N 3.26Å; P292-P296 WeakPolarHBondContact O-CA 3.5Å
293	Q	91.1	Very high	94.4	Very high	61 Å²	61	64.7 Å²	64.7	29%	0.285	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-34.2	-177.2	-174.6	174	-93.3	0	0	113.1	R295 P296 G307 K308 K309 G310	Q293-R295 PolarHBondContact O-N 3.2Å; Q293-P296 WeakPolarHBondContact O-CD 3.29Å; Q293-G307 CarbonylContact O-C 3.55Å; Q293-G307 WeakPolarHBondContact O-CA 3.42Å; Q293-K308 CarbonylContact C-O 3.07Å; Q293-K308 HydrophobicContact CG-CB 4.28Å; Q293-K308 WeakPolarHBondContact CG-O 3.27Å; Q293-K308 PolarHBondContact NE2-O 3.35Å; Q293-K309 PolarHBondContact NE2-O 2.84Å; Q293-G310 PolarHBondContact NE2-O 3.46Å
294	V	92.1	Very high	94.5	Very high	22 Å²	22	65 Å²	65	13%	0.133	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.2	177.9	63.1	0	0	0	0	112.9	P292 G307 K308	P292-V294 HydrophobicContact CB-CG1 4.15Å; P292-V294 HydrophobicContact CG-CG1 4.06Å; P292-V294 PolarHBondContact O-N 2.81Å; P292-V294 VanDerWaalsContact O-N 3.1Å; V294-G307 PolarHBondContact O-N 2.89Å; V294-K308 PolarHBondContact N-O 3.34Å
295	R	95.3	Very high	94.5	Very high	8 Å²	8	64 Å²	64	3%	0.03	35%	0.351	C	S	.	.	S	Bend	trans	-135.8	64.7	180	-64.4	-58.7	-167.8	152.1	11	110.8	N143 E144 T146 E242 C291 P292 Q293 V297 C303 T304 G305	N143-R295 HydrophobicContact CB-CG 4.19Å; E144-R295 PolarHBondContact O-NH2 3.26Å; T146-R295 VanDerWaalsContact CG2-NH2 3.3Å; T146-R295 PolarHBondContact OG1-NH2 3.31Å; E242-R295 PolarHBondContact O-NH2 3.19Å; C291-R295 WeakPolarHBondContact CB-O 3.37Å; P292-R295 HydrophobicContact CG-CB 4.36Å; P292-R295 CarbonylContact O-C 3.43Å; P292-R295 WeakPolarHBondContact O-CA 3.31Å; P292-R295 PolarHBondContact O-N 3.26Å; Q293-R295 PolarHBondContact O-N 3.2Å; R295-V297 VanDerWaalsContact C-N 3.28Å; R295-V297 PolarHBondContact O-N 3.44Å; R295-V297 VanDerWaalsContact O-N 3.16Å; R295-C303 HydrophobicContact CB-CB 3.87Å; R295-C303 WeakPolarHBondContact CB-O 3.4Å; R295-C303 WeakPolarHBondContact O-CB 3.49Å; R295-T304 CarbonylContact C-O 3.58Å; R295-T304 WeakPolarHBondContact CA-O 3.28Å; R295-G305 WeakPolarHBondContact CD-O 3.39Å; R295-G305 PolarHBondContact NH1-O 3.38Å; R295-G305 VanDerWaalsContact NH1-O 3.09Å
296	P	94.6	Very high	94.2	Very high	69 Å²	69	68.7 Å²	68.7	45%	0.448	37%	0.374	S	S	.	.			trans	-74	-12.6	-160.2	29.9	-34.3	0	0	0	114.8	P292 Q293 T304	P292-P296 WeakPolarHBondContact O-CA 3.5Å; Q293-P296 WeakPolarHBondContact O-CD 3.29Å; P296-T304 WeakPolarHBondContact CD-O 3.25Å
297	V	96.2	Very high	94	Very high	81 Å²	81	68.2 Å²	68.2	49%	0.491	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120	-171.9	-178.1	0	0	0	0	110.9	R295 K299 T304	R295-V297 VanDerWaalsContact C-N 3.28Å; R295-V297 PolarHBondContact O-N 3.44Å; R295-V297 VanDerWaalsContact O-N 3.16Å; V297-K299 PolarHBondContact O-N 3.01Å; V297-T304 PolarHBondContact N-O 2.93Å; V297-T304 VanDerWaalsContact N-O 3.08Å; V297-T304 PolarHBondContact O-N 3.28Å; V297-T304 PolarHBondContact O-OG1 2.97Å
298	R	96.5	Very high	93.9	Very high	116 Å²	116	69.9 Å²	69.9	44%	0.438	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	119	171.7	-173.4	169.4	-76.4	104.6	-6.5	110.5	T140 K289 L302	T140-R298 PolarHBondContact O-NH2 3.4Å; K289-R298 PolarHBondContact O-NH2 2.89Å; R298-L302 CarbonylContact C-O 3.13Å; R298-L302 VanDerWaalsContact CA-O 3.31Å; R298-L302 WeakPolarHBondContact CA-O 3.45Å
299	K	96.9	Very high	93.6	Very high	150 Å²	150	71 Å²	71	65%	0.652	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.8	127	176.7	-174.9	-179	179.8	-175.4	0	109.7	V297 Y301 L302 T304	V297-K299 PolarHBondContact O-N 3.01Å; K299-Y301 VanDerWaalsContact C-N 3.27Å; K299-Y301 PolarHBondContact O-N 3.45Å; K299-L302 PolarHBondContact N-O 3.36Å; K299-L302 PolarHBondContact O-N 3.37Å; K299-T304 HydrophobicContact CB-CG2 4.17Å
300	D	95.4	Very high	93	Very high	73 Å²	73	67.1 Å²	67.1	39%	0.39	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.8	53.1	-177.5	-174.4	28.7	0	0	0	112.3	K126 K130 L302	K126-D300 WeakPolarHBondContact CD-OD2 3.34Å; K126-D300 WeakPolarHBondContact CE-OD2 3.32Å; K126-D300 IonicContact NZ-OD2 2.7Å; K126-D300 PolarHBondContact NZ-OD2 3.23Å; K130-D300 WeakPolarHBondContact CE-OD1 3.07Å; K130-D300 IonicContact NZ-OD1 2.89Å; K130-D300 PolarHBondContact NZ-OD1 3.4Å; D300-L302 PolarHBondContact O-N 3.14Å; D300-L302 VanDerWaalsContact O-N 3.08Å
301	Y	96.2	Very high	92.5	Very high	126 Å²	126	63 Å²	63	49%	0.494	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	-3.3	178.6	-56.8	-100.6	0	0	0	116.4	K130 K299	K130-Y301 HydrophobicContact CD-CD2 4.19Å; K130-Y301 HydrophobicContact CD-CE2 4.36Å; K130-Y301 HydrophobicContact CG-CD1 4.02Å; K130-Y301 HydrophobicContact CG-CD2 3.76Å; K130-Y301 HydrophobicContact CG-CE1 4.24Å; K130-Y301 HydrophobicContact CG-CE2 4.01Å; K130-Y301 HydrophobicContact CG-CG 3.78Å; K299-Y301 VanDerWaalsContact C-N 3.27Å; K299-Y301 PolarHBondContact O-N 3.45Å
302	L	98.2	Very high	91.8	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	153.7	175	-58.4	-176.2	0	0	0	112	N122 R125 K126 M142 E144 R298 K299 D300 T304	N122-L302 HydrophobicContact CB-CD1 4.18Å; R125-L302 HydrophobicContact CB-CD2 4.14Å; K126-L302 HydrophobicContact CD-CD1 4.28Å; K126-L302 HydrophobicContact CG-CD1 3.77Å; K126-L302 HydrophobicContact CG-CD2 3.93Å; K126-L302 HydrophobicContact CG-CG 3.68Å; M142-L302 HydrophobicContact CB-CD2 4.05Å; M142-L302 HydrophobicContact CG-CD2 3.63Å; M142-L302 CarbonylContact O-C 3.53Å; M142-L302 WeakPolarHBondContact O-CA 3.32Å; E144-L302 HydrophobicContact CB-CB 4.1Å; E144-L302 HydrophobicContact CB-CD1 3.93Å; E144-L302 HydrophobicContact CG-CD1 4.22Å; R298-L302 CarbonylContact C-O 3.13Å; R298-L302 VanDerWaalsContact CA-O 3.31Å; R298-L302 WeakPolarHBondContact CA-O 3.45Å; K299-L302 PolarHBondContact N-O 3.36Å; K299-L302 PolarHBondContact O-N 3.37Å; D300-L302 PolarHBondContact O-N 3.14Å; D300-L302 VanDerWaalsContact O-N 3.08Å; L302-T304 HydrophobicContact CB-CG2 4.21Å
303	C	98	Very high	91.4	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	119.3	168.6	-63.6	0	0	0	0	109.1	M142 N143 E144 C291 R295	M142-C303 PolarHBondContact O-N 3.42Å; N143-C303 WeakPolarHBondContact OD1-CB 3.4Å; E144-C303 PolarHBondContact N-O 2.92Å; C291-C303 WeakPolarHBondContact CA-SG 3.39Å; C291-C303 HydrophobicContact CB-CB 3.58Å; C291-C303 WeakPolarHBondContact CB-SG 3.49Å; C291-C303 WeakPolarHBondContact SG-CA 3.33Å; C291-C303 WeakPolarHBondContact SG-CB 3.43Å; C291-C303 CovalentContact SG-SG 2.04Å; C291-C303 PolarHBondContact SG-SG 2.76Å; R295-C303 HydrophobicContact CB-CB 3.87Å; R295-C303 WeakPolarHBondContact CB-O 3.4Å; R295-C303 WeakPolarHBondContact O-CB 3.49Å
304	T	97.8	Very high	91.3	Very high	13 Å²	13	71.9 Å²	71.9	8%	0.08	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	-178.3	-169.6	67.5	0	0	0	0	111.1	E144 R295 P296 V297 K299 L302	E144-T304 HydrophobicContact CB-CG2 3.81Å; E144-T304 HydrophobicContact CG-CG2 4.4Å; E144-T304 WeakPolarHBondContact OE2-CG2 3.5Å; R295-T304 CarbonylContact C-O 3.58Å; R295-T304 WeakPolarHBondContact CA-O 3.28Å; P296-T304 WeakPolarHBondContact CD-O 3.25Å; V297-T304 PolarHBondContact N-O 2.93Å; V297-T304 VanDerWaalsContact N-O 3.08Å; V297-T304 PolarHBondContact O-N 3.28Å; V297-T304 PolarHBondContact O-OG1 2.97Å; K299-T304 HydrophobicContact CB-CG2 4.17Å; L302-T304 HydrophobicContact CB-CG2 4.21Å
305	G	94.8	Very high	91.4	Very high	28 Å²	28	74.6 Å²	74.6	29%	0.289	39%	0.39	S	S	.	.	S	Bend	trans	90.2	-178.4	-176.7	0	0	0	0	0	113	R295	R295-G305 WeakPolarHBondContact CD-O 3.39Å; R295-G305 PolarHBondContact NH1-O 3.38Å; R295-G305 VanDerWaalsContact NH1-O 3.09Å
306	N	90.2	Very high	91.4	Very high	154 Å²	154	75.7 Å²	75.7	82%	0.824	40%	0.396	S	S	*	.			trans	-128.4	87.8	-179.2	-65.7	-34.7	0	0	0	108.7
307	G	90.4	Very high	91.5	Very high	33 Å²	33	77.2 Å²	77.2	34%	0.34	40%	0.401	S	S	.	.			trans	-103.3	-173.1	175.5	0	0	0	0	0	112.8	Q293 V294	Q293-G307 CarbonylContact O-C 3.55Å; Q293-G307 WeakPolarHBondContact O-CA 3.42Å; V294-G307 PolarHBondContact O-N 2.89Å
308	K	86.5	Confident	91.5	Very high	152 Å²	152	75.7 Å²	75.7	66%	0.661	39%	0.39	S	S	*	.			trans	-77.8	143.4	-176.3	-66	-177.5	-179.8	-174.5	0	111.2	Q293 V294	Q293-K308 CarbonylContact C-O 3.07Å; Q293-K308 HydrophobicContact CG-CB 4.28Å; Q293-K308 WeakPolarHBondContact CG-O 3.27Å; Q293-K308 PolarHBondContact NE2-O 3.35Å; V294-K308 PolarHBondContact N-O 3.34Å
309	K	83	Confident	91.5	Very high	106 Å²	106	75.4 Å²	75.4	46%	0.461	41%	0.405	S	S	.	.	S	Bend	trans	-64.3	161.2	166.3	-69.8	-172.9	177	-176.6	0	109.7	E176 Q293 I351	E176-K309 PolarHBondContact O-NZ 3.34Å; Q293-K309 PolarHBondContact NE2-O 2.84Å; K309-I351 CarbonylContact C-O 3.52Å
310	G	80	Confident	91.5	Very high	26 Å²	26	74.7 Å²	74.7	27%	0.268	40%	0.399	S	S	.	.	S	Bend	trans	85.1	174.2	178.6	0	0	0	0	0	115.8	Q293 I351	Q293-G310 PolarHBondContact NE2-O 3.46Å; G310-I351 WeakPolarHBondContact CA-O 3.44Å
311	P	81.2	Confident	91.6	Very high	48 Å²	48	71.3 Å²	71.3	31%	0.312	38%	0.381	S	S	.	.			trans	-72.9	151	-179	28.6	-31.9	0	0	0	112	N313 C314 P346	P311-N313 VanDerWaalsContact C-N 3.31Å; P311-N313 PolarHBondContact O-N 3.06Å; P311-C314 HydrophobicContact CG-CB 4.45Å; P311-P346 HydrophobicContact CG-CB 3.76Å; P311-P346 HydrophobicContact CG-CG 3.76Å
312	K	81	Confident	91.7	Very high	144 Å²	144	68.4 Å²	68.4	63%	0.626	38%	0.38	S	S	*	.	S	Bend	trans	-55.4	-44.9	177.8	-167.9	177.7	-173.3	175.5	0	112.4	E290	E290-K312 IonicContact OE1-NZ 2.63Å; E290-K312 IonicContact OE2-NZ 3.84Å; E290-K312 PolarHBondContact OE2-NZ 3.37Å
313	N	84.5	Confident	91.7	Very high	131 Å²	131	70.6 Å²	70.6	70%	0.701	39%	0.393	S	S	*	.	S	Bend	trans	-98.4	88.1	171.5	-68.3	-12.4	0	0	0	108.5	P311 V315	P311-N313 VanDerWaalsContact C-N 3.31Å; P311-N313 PolarHBondContact O-N 3.06Å; N313-V315 VanDerWaalsContact C-N 3.29Å; N313-V315 PolarHBondContact O-N 2.03Å
314	C	89.1	Confident	91.6	Very high	29 Å²	29	72.5 Å²	72.5	20%	0.196	40%	0.4	C	S	.	.			trans	-85.1	73.3	-174.3	-153.9	0	0	0	0	111.8	P311 C352	P311-C314 HydrophobicContact CG-CB 4.45Å; C314-C352 HydrophobicContact CB-CB 3.68Å; C314-C352 WeakPolarHBondContact CB-SG 3.28Å; C314-C352 WeakPolarHBondContact SG-CA 3.4Å; C314-C352 WeakPolarHBondContact SG-CB 3.02Å; C314-C352 PolarHBondContact SG-N 3.36Å; C314-C352 VanDerWaalsContact SG-N 3.43Å; C314-C352 CovalentContact SG-SG 2Å; C314-C352 PolarHBondContact SG-SG 3.08Å
315	V	93.8	Very high	91.6	Very high	79 Å²	79	77 Å²	77	48%	0.479	42%	0.419	S	S	.	.			trans	-121	150.1	179.4	-63.6	0	0	0	0	110.2	N313 P346	N313-V315 VanDerWaalsContact C-N 3.29Å; N313-V315 PolarHBondContact O-N 2.03Å; V315-P346 WeakPolarHBondContact O-CD 3.31Å; V315-P346 VanDerWaalsContact O-CG 3.23Å; V315-P346 WeakPolarHBondContact O-CG 3.17Å
316	D	95.9	Very high	91.7	Very high	30 Å²	30	84.7 Å²	84.7	16%	0.16	44%	0.439	C	S	.	.			trans	-76.9	127	170.7	-63.8	-43.5	0	0	0	109	N318 C321 C345 R347 T348	D316-N318 VanDerWaalsContact C-N 3.34Å; D316-C321 HydrophobicContact CB-CB 4.32Å; D316-C345 VanDerWaalsContact OD1-CA 3.3Å; D316-C345 WeakPolarHBondContact OD1-CA 3.02Å; D316-R347 PolarHBondContact OD1-N 2.82Å; D316-R347 IonicContact OD2-CZ 2.93Å; D316-R347 IonicContact OD2-NE 3.94Å; D316-R347 PolarHBondContact OD2-NE 2.78Å; D316-R347 IonicContact OD2-NH2 2.67Å; D316-R347 PolarHBondContact OD2-NH2 3.45Å; D316-R347 VanDerWaalsContact OD2-NH2 3.09Å; D316-T348 WeakPolarHBondContact OD1-CB 3.15Å; D316-T348 PolarHBondContact OD1-N 3.16Å; D316-T348 PolarHBondContact OD1-OG1 3.4Å; D316-T348 PolarHBondContact OD2-N 2.85Å; D316-T348 PolarHBondContact OD2-OG1 2.67Å
317	N	95.2	Very high	92	Very high	102 Å²	102	82.7 Å²	82.7	55%	0.545	43%	0.425	S	S	.	.			trans	-91.2	-0.3	-178.4	-61	-46.3	0	0	0	112.6	G343 E344	N317-G343 PolarHBondContact ND2-O 3Å; N317-E344 PolarHBondContact N-O 3.23Å
318	N	96.4	Very high	92.2	Very high	49 Å²	49	82.2 Å²	82.2	26%	0.262	42%	0.42	S	S	.	.			trans	-140	139.4	-174	-149.4	-69.9	0	0	0	113.3	D316 Y320 C321 W324 E344	D316-N318 VanDerWaalsContact C-N 3.34Å; N318-Y320 PolarHBondContact O-N 2.8Å; N318-Y320 WeakPolarHBondContact OD1-CD2 2.99Å; N318-Y320 PolarHBondContact OD1-N 2.78Å; N318-C321 PolarHBondContact O-N 2.73Å; N318-C321 PolarHBondContact O-SG 3.37Å; N318-W324 HydrophobicContact CB-CH2 4Å; N318-W324 HydrophobicContact CB-CZ3 3.66Å; N318-W324 WeakPolarHBondContact ND2-CH2 3.16Å; N318-W324 WeakPolarHBondContact OD1-CH2 3.34Å; N318-E344 HydrophobicContact CB-CG 3.99Å; N318-E344 WeakPolarHBondContact CB-OE1 2.99Å; N318-E344 PolarHBondContact ND2-OE1 3.49Å; N318-E344 VanDerWaalsContact ND2-OE1 3.11Å
319	S	96.7	Very high	92.6	Very high	109 Å²	109	77.2 Å²	77.2	76%	0.762	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-21.1	176	57.2	0	0	0	0	113.2	C321	S319-C321 VanDerWaalsContact C-N 3.3Å; S319-C321 PolarHBondContact O-N 3.3Å
320	Y	97	Very high	93.1	Very high	135 Å²	135	73 Å²	73	53%	0.529	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-0.8	178.3	-70	-82.2	0	0	0	114.2	N318 S322 V323 W324	N318-Y320 PolarHBondContact O-N 2.8Å; N318-Y320 WeakPolarHBondContact OD1-CD2 2.99Å; N318-Y320 PolarHBondContact OD1-N 2.78Å; Y320-S322 VanDerWaalsContact C-N 3.27Å; Y320-S322 PolarHBondContact O-N 2.72Å; Y320-S322 VanDerWaalsContact O-N 3.16Å; Y320-V323 HydrophobicContact CD1-CB 4.48Å; Y320-V323 HydrophobicContact CD1-CG2 4.22Å; Y320-V323 WeakPolarHBondContact O-CA 3.18Å; Y320-V323 WeakPolarHBondContact O-CB 3.5Å; Y320-V323 PolarHBondContact O-N 3.39Å; Y320-W324 VanDerWaalsContact CB-CE2 3.5Å; Y320-W324 VanDerWaalsContact CB-CZ2 3.5Å; Y320-W324 HydrophobicContact CD2-CZ2 4.47Å; Y320-W324 HydrophobicContact CG-CZ2 4.2Å; Y320-W324 PolarHBondContact O-N 3.09Å
321	C	97.9	Very high	93.9	Very high	2 Å²	2	77.6 Å²	77.6	1%	0.014	40%	0.396	C	S	.	.	H	α-helix	trans	-52.4	-43.1	-176.7	-71.7	0	0	0	0	113.2	D316 N318 S319 V323 W324 K325 C345 T348	D316-C321 HydrophobicContact CB-CB 4.32Å; N318-C321 PolarHBondContact O-N 2.73Å; N318-C321 PolarHBondContact O-SG 3.37Å; S319-C321 VanDerWaalsContact C-N 3.3Å; S319-C321 PolarHBondContact O-N 3.3Å; C321-V323 VanDerWaalsContact C-N 3.34Å; C321-V323 PolarHBondContact O-N 2.81Å; C321-W324 PolarHBondContact O-N 3.04Å; C321-K325 WeakPolarHBondContact O-CB 3.3Å; C321-K325 PolarHBondContact O-N 3.24Å; C321-C345 WeakPolarHBondContact CA-SG 3.32Å; C321-C345 HydrophobicContact CB-CB 3.62Å; C321-C345 WeakPolarHBondContact CB-SG 3.43Å; C321-C345 VanDerWaalsContact SG-CA 3.52Å; C321-C345 WeakPolarHBondContact SG-CB 3.41Å; C321-C345 CovalentContact SG-SG 2.03Å; C321-C345 PolarHBondContact SG-SG 3Å; C321-T348 HydrophobicContact CB-CG2 4.05Å; C321-T348 WeakPolarHBondContact O-CG2 3.33Å
322	S	97.8	Very high	94.4	Very high	66 Å²	66	77.2 Å²	77.2	46%	0.462	39%	0.391	S	S	.	.	H	α-helix	trans	-67.8	-32.4	177.5	-51.7	0	0	0	0	113.3	Y320 R326	Y320-S322 VanDerWaalsContact C-N 3.27Å; Y320-S322 PolarHBondContact O-N 2.72Å; Y320-S322 VanDerWaalsContact O-N 3.16Å; S322-R326 WeakPolarHBondContact O-CG 3.35Å; S322-R326 PolarHBondContact O-N 3.25Å; S322-R326 PolarHBondContact O-NH1 3.4Å
323	V	97.8	Very high	94.9	Very high	47 Å²	47	72.5 Å²	72.5	29%	0.285	38%	0.376	S	S	.	.	H	α-helix	trans	-66.8	-50.7	174.2	179.9	0	0	0	0	109.2	Y320 C321 K325 R326 E327	Y320-V323 HydrophobicContact CD1-CB 4.48Å; Y320-V323 HydrophobicContact CD1-CG2 4.22Å; Y320-V323 WeakPolarHBondContact O-CA 3.18Å; Y320-V323 WeakPolarHBondContact O-CB 3.5Å; Y320-V323 PolarHBondContact O-N 3.39Å; C321-V323 VanDerWaalsContact C-N 3.34Å; C321-V323 PolarHBondContact O-N 2.81Å; V323-K325 VanDerWaalsContact C-N 3.32Å; V323-K325 PolarHBondContact O-N 3.33Å; V323-R326 WeakPolarHBondContact O-CB 3.35Å; V323-R326 PolarHBondContact O-N 3.43Å; V323-E327 WeakPolarHBondContact O-CG 3.4Å; V323-E327 PolarHBondContact O-N 2.89Å
324	W	97.6	Very high	94.8	Very high	40 Å²	40	73.3 Å²	73.3	15%	0.152	38%	0.38	C	S	.	.	H	α-helix	trans	-63.8	-35	-179.4	-65.5	-21.2	0	0	0	113.3	N318 Y320 C321 E327 G328 K329 W340 M341 E344	N318-W324 HydrophobicContact CB-CH2 4Å; N318-W324 HydrophobicContact CB-CZ3 3.66Å; N318-W324 WeakPolarHBondContact ND2-CH2 3.16Å; N318-W324 WeakPolarHBondContact OD1-CH2 3.34Å; Y320-W324 VanDerWaalsContact CB-CE2 3.5Å; Y320-W324 VanDerWaalsContact CB-CZ2 3.5Å; Y320-W324 HydrophobicContact CD2-CZ2 4.47Å; Y320-W324 HydrophobicContact CG-CZ2 4.2Å; Y320-W324 PolarHBondContact O-N 3.09Å; C321-W324 PolarHBondContact O-N 3.04Å; W324-E327 CarbonylContact O-C 3.52Å; W324-E327 WeakPolarHBondContact O-CB 3.23Å; W324-E327 PolarHBondContact O-N 3.36Å; W324-G328 PolarHBondContact O-N 3.08Å; W324-K329 HydrophobicContact CB-CB 4.17Å; W324-K329 HydrophobicContact CB-CD 3.63Å; W324-K329 HydrophobicContact CB-CG 4.42Å; W324-K329 VanDerWaalsContact CD1-NZ 3.25Å; W324-K329 HydrophobicContact CG-CD 3.76Å; W324-K329 VanDerWaalsContact O-CB 3.29Å; W324-K329 WeakPolarHBondContact O-CB 3.3Å; W324-K329 PolarHBondContact O-N 3.24Å; W324-W340 HydrophobicContact CD2-CZ3 4.37Å; W324-W340 AromaticContact CE3-CH2 3.99Å; W324-W340 HydrophobicContact CE3-CH2 3.99Å; W324-W340 AromaticContact CE3-CZ3 3.75Å; W324-W340 HydrophobicContact CE3-CZ3 3.75Å; W324-W340 AromaticContact CH2-CH2 3.51Å; W324-W340 HydrophobicContact CH2-CH2 3.51Å; W324-W340 HydrophobicContact CH2-CZ3 4.11Å; W324-W340 HydrophobicContact CZ2-CH2 4.26Å; W324-W340 AromaticContact CZ3-CH2 3.36Å; W324-W340 HydrophobicContact CZ3-CH2 3.36Å; W324-W340 AromaticContact CZ3-CZ3 3.62Å; W324-W340 HydrophobicContact CZ3-CZ3 3.62Å; W324-M341 HydrophobicContact CB-CE 3.59Å; W324-M341 HydrophobicContact CB-SD 3.94Å; W324-M341 HydrophobicContact CD2-SD 4.33Å; W324-M341 HydrophobicContact CE3-CE 4.28Å; W324-M341 HydrophobicContact CE3-SD 3.83Å; W324-M341 HydrophobicContact CG-SD 4.43Å; W324-E344 HydrophobicContact CZ3-CG 4.07Å
325	K	96.8	Very high	94.8	Very high	108 Å²	108	73.1 Å²	73.1	47%	0.47	38%	0.377	S	S	.	.	H	α-helix	trans	-59.6	-46.7	170	-178.6	172.8	-174.5	168.4	0	111.8	C321 V323 E327 G328 C330 T348	C321-K325 WeakPolarHBondContact O-CB 3.3Å; C321-K325 PolarHBondContact O-N 3.24Å; V323-K325 VanDerWaalsContact C-N 3.32Å; V323-K325 PolarHBondContact O-N 3.33Å; K325-E327 PolarHBondContact O-N 2.93Å; K325-G328 PolarHBondContact O-N 2.75Å; K325-C330 HydrophobicContact CG-CB 4.48Å; K325-T348 HydrophobicContact CB-CG2 3.71Å; K325-T348 HydrophobicContact CD-CG2 3.61Å; K325-T348 VanDerWaalsContact CD-O 3.28Å; K325-T348 WeakPolarHBondContact CD-O 3.46Å; K325-T348 WeakPolarHBondContact CE-O 3.38Å; K325-T348 HydrophobicContact CG-CG2 4.26Å; K325-T348 PolarHBondContact NZ-O 3.49Å
326	R	96.9	Very high	94.4	Very high	188 Å²	188	72.9 Å²	72.9	71%	0.709	38%	0.378	S	S	*	.	H	α-helix	trans	-64.7	-25.3	176.7	-70.2	-170.1	-55.4	-93.9	4.7	113	S322 V323 G328	S322-R326 WeakPolarHBondContact O-CG 3.35Å; S322-R326 PolarHBondContact O-N 3.25Å; S322-R326 PolarHBondContact O-NH1 3.4Å; V323-R326 WeakPolarHBondContact O-CB 3.35Å; V323-R326 PolarHBondContact O-N 3.43Å; R326-G328 PolarHBondContact O-N 2Å
327	E	95.7	Very high	94.2	Very high	112 Å²	112	77 Å²	77	52%	0.523	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	3.4	172.3	-66.9	173.8	175.5	0	0	113.4	V323 W324 K325 K329	V323-E327 WeakPolarHBondContact O-CG 3.4Å; V323-E327 PolarHBondContact O-N 2.89Å; W324-E327 CarbonylContact O-C 3.52Å; W324-E327 WeakPolarHBondContact O-CB 3.23Å; W324-E327 PolarHBondContact O-N 3.36Å; K325-E327 PolarHBondContact O-N 2.93Å; E327-K329 VanDerWaalsContact C-N 3.31Å; E327-K329 HydrophobicContact CB-CD 4.44Å; E327-K329 HydrophobicContact CB-CG 4.33Å; E327-K329 PolarHBondContact O-N 3.1Å; E327-K329 WeakPolarHBondContact OE2-CE 2.96Å; E327-K329 IonicContact OE2-NZ 3.53Å; E327-K329 PolarHBondContact OE2-NZ 3.35Å
328	G	94.8	Very high	93.9	Very high	23 Å²	23	73.7 Å²	73.7	24%	0.237	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	14.1	-179.4	0	0	0	0	0	114	W324 K325 R326 C330 E331 N335	W324-G328 PolarHBondContact O-N 3.08Å; K325-G328 PolarHBondContact O-N 2.75Å; R326-G328 PolarHBondContact O-N 2Å; G328-C330 PolarHBondContact O-N 3.14Å; G328-E331 VanDerWaalsContact O-CB 3.31Å; G328-E331 WeakPolarHBondContact O-CB 3.5Å; G328-E331 WeakPolarHBondContact O-CG 3.47Å; G328-E331 PolarHBondContact O-N 3.29Å; G328-E331 VanDerWaalsContact O-N 3.08Å; G328-N335 PolarHBondContact O-ND2 3.18Å
329	K	95.4	Very high	93.5	Very high	47 Å²	47	76.2 Å²	76.2	20%	0.204	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-14.8	-178.7	-65.5	171.8	166.9	161.2	0	113.3	W324 E327 E331 N335 Y337 M341	W324-K329 HydrophobicContact CB-CB 4.17Å; W324-K329 HydrophobicContact CB-CD 3.63Å; W324-K329 HydrophobicContact CB-CG 4.42Å; W324-K329 VanDerWaalsContact CD1-NZ 3.25Å; W324-K329 HydrophobicContact CG-CD 3.76Å; W324-K329 VanDerWaalsContact O-CB 3.29Å; W324-K329 WeakPolarHBondContact O-CB 3.3Å; W324-K329 PolarHBondContact O-N 3.24Å; E327-K329 VanDerWaalsContact C-N 3.31Å; E327-K329 HydrophobicContact CB-CD 4.44Å; E327-K329 HydrophobicContact CB-CG 4.33Å; E327-K329 PolarHBondContact O-N 3.1Å; E327-K329 WeakPolarHBondContact OE2-CE 2.96Å; E327-K329 IonicContact OE2-NZ 3.53Å; E327-K329 PolarHBondContact OE2-NZ 3.35Å; K329-E331 VanDerWaalsContact C-N 3.34Å; K329-N335 PolarHBondContact O-ND2 3.13Å; K329-Y337 HydrophobicContact CG-CD2 4.11Å; K329-Y337 HydrophobicContact CG-CG 4.33Å; K329-M341 HydrophobicContact CB-CE 4.18Å; K329-M341 HydrophobicContact CB-CG 3.8Å; K329-M341 HydrophobicContact CB-SD 3.99Å; K329-M341 WeakPolarHBondContact O-CG 3.2Å
330	C	94.9	Very high	93.1	Very high	18 Å²	18	77.2 Å²	77.2	12%	0.122	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-4.5	170.3	-65.6	0	0	0	0	113.3	K325 G328 L332 Y338 C349	K325-C330 HydrophobicContact CG-CB 4.48Å; G328-C330 PolarHBondContact O-N 3.14Å; C330-L332 PolarHBondContact O-N 2.89Å; C330-Y338 WeakPolarHBondContact O-CD2 3.46Å; C330-C349 HydrophobicContact CB-CB 3.71Å; C330-C349 WeakPolarHBondContact CB-SG 3.46Å; C330-C349 WeakPolarHBondContact SG-CA 3.45Å; C330-C349 WeakPolarHBondContact SG-CB 3.04Å; C330-C349 CovalentContact SG-SG 2.05Å; C330-C349 PolarHBondContact SG-SG 3.44Å
331	E	94.9	Very high	92.9	Very high	122 Å²	122	70.8 Å²	70.8	57%	0.57	35%	0.347	S	S	*	.			trans	-61.9	133.3	-179	-66.7	-52.9	142.1	0	0	110.5	G328 K329 N335 Y338	G328-E331 VanDerWaalsContact O-CB 3.31Å; G328-E331 WeakPolarHBondContact O-CB 3.5Å; G328-E331 WeakPolarHBondContact O-CG 3.47Å; G328-E331 PolarHBondContact O-N 3.29Å; G328-E331 VanDerWaalsContact O-N 3.08Å; K329-E331 VanDerWaalsContact C-N 3.34Å; E331-N335 HydrophobicContact CB-CB 4.43Å; E331-N335 PolarHBondContact N-ND2 3.31Å; E331-N335 WeakPolarHBondContact O-CB 3.19Å; E331-N335 PolarHBondContact O-ND2 2.91Å; E331-Y338 WeakPolarHBondContact O-CD2 3.45Å
332	L	92	Very high	92.5	Very high	40 Å²	40	72.2 Å²	72.2	21%	0.209	36%	0.356	C	S	.	.	S	Bend	trans	-66.8	-45.4	-175.1	179.6	65.6	0	0	0	111.8	D179 C330 Y338	D179-L332 HydrophobicContact CB-CD1 3.67Å; D179-L332 HydrophobicContact CB-CG 4.36Å; C330-L332 PolarHBondContact O-N 2.89Å; L332-Y338 HydrophobicContact CB-CE2 4.33Å; L332-Y338 HydrophobicContact CD1-CD1 3.92Å; L332-Y338 HydrophobicContact CD1-CD2 4.3Å; L332-Y338 HydrophobicContact CD1-CE1 3.32Å; L332-Y338 HydrophobicContact CD1-CE2 3.76Å; L332-Y338 HydrophobicContact CD1-CG 4.36Å; L332-Y338 WeakPolarHBondContact CD1-OH 3.44Å
333	C	91.9	Very high	92	Very high	45 Å²	45	71.2 Å²	71.2	30%	0.304	36%	0.356	S	S	.	.	S	Bend	trans	-101.9	145.1	-167.4	-66.3	0	0	0	0	113.4	C173 G174 N335	C173-C333 HydrophobicContact CB-CB 3.85Å; C173-C333 WeakPolarHBondContact CB-SG 3.44Å; C173-C333 WeakPolarHBondContact SG-CA 2.95Å; C173-C333 WeakPolarHBondContact SG-CB 3.36Å; C173-C333 CovalentContact SG-SG 2.02Å; C173-C333 PolarHBondContact SG-SG 3.27Å; G174-C333 PolarHBondContact N-SG 3.43Å; C333-N335 PolarHBondContact O-N 3.1Å; C333-N335 VanDerWaalsContact O-N 3.14Å
334	N	83.6	Confident	91.8	Very high	148 Å²	148	71.1 Å²	71.1	79%	0.791	35%	0.353	S	S	*	.	S	Bend	trans	55.1	30.1	178.1	-54.3	-50.3	0	0	0	113
335	N	88.1	Confident	91.8	Very high	25 Å²	25	69.2 Å²	69.2	13%	0.134	35%	0.345	C	S	.	.			trans	-126.3	106	-173.7	177.9	10.6	0	0	0	110.7	G328 K329 E331 C333 Y337 Y338	G328-N335 PolarHBondContact O-ND2 3.18Å; K329-N335 PolarHBondContact O-ND2 3.13Å; E331-N335 HydrophobicContact CB-CB 4.43Å; E331-N335 PolarHBondContact N-ND2 3.31Å; E331-N335 WeakPolarHBondContact O-CB 3.19Å; E331-N335 PolarHBondContact O-ND2 2.91Å; C333-N335 PolarHBondContact O-N 3.1Å; C333-N335 VanDerWaalsContact O-N 3.14Å; N335-Y337 PolarHBondContact O-N 2.61Å; N335-Y337 VanDerWaalsContact O-N 3.16Å; N335-Y337 WeakPolarHBondContact OD1-CB 3.38Å; N335-Y337 WeakPolarHBondContact OD1-CD2 3.26Å; N335-Y337 PolarHBondContact OD1-N 3.21Å; N335-Y338 PolarHBondContact O-N 3Å
336	P	86.1	Confident	91.6	Very high	75 Å²	75	64.1 Å²	64.1	49%	0.487	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.2	179.6	29.2	-35.5	0	0	0	113.1	L12	L12-P336 HydrophobicContact CD1-CG 4.26Å
337	Y	90.2	Very high	91.6	Very high	117 Å²	117	62.8 Å²	62.8	46%	0.459	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-15	179.5	-54.6	-70.4	0	0	0	113.3	K329 N335 N339 W340 M341	K329-Y337 HydrophobicContact CG-CD2 4.11Å; K329-Y337 HydrophobicContact CG-CG 4.33Å; N335-Y337 PolarHBondContact O-N 2.61Å; N335-Y337 VanDerWaalsContact O-N 3.16Å; N335-Y337 WeakPolarHBondContact OD1-CB 3.38Å; N335-Y337 WeakPolarHBondContact OD1-CD2 3.26Å; N335-Y337 PolarHBondContact OD1-N 3.21Å; Y337-N339 PolarHBondContact O-N 3.31Å; Y337-W340 WeakPolarHBondContact O-CB 3.27Å; Y337-W340 PolarHBondContact O-N 2.92Å; Y337-M341 WeakPolarHBondContact O-CB 3.48Å; Y337-M341 WeakPolarHBondContact O-CG 3.44Å; Y337-M341 PolarHBondContact O-N 3.19Å
338	Y	90.2	Very high	91.6	Very high	32 Å²	32	58.4 Å²	58.4	13%	0.125	30%	0.299	C	S	.	.	H	α-helix	trans	-53.7	-52.3	-172	177.8	-103.8	0	0	0	112.3	D179 C330 E331 L332 N335 W340 M341 V342 I351	D179-Y338 HydrophobicContact CB-CD1 3.77Å; D179-Y338 HydrophobicContact CB-CE1 3.97Å; C330-Y338 WeakPolarHBondContact O-CD2 3.46Å; E331-Y338 WeakPolarHBondContact O-CD2 3.45Å; L332-Y338 HydrophobicContact CB-CE2 4.33Å; L332-Y338 HydrophobicContact CD1-CD1 3.92Å; L332-Y338 HydrophobicContact CD1-CD2 4.3Å; L332-Y338 HydrophobicContact CD1-CE1 3.32Å; L332-Y338 HydrophobicContact CD1-CE2 3.76Å; L332-Y338 HydrophobicContact CD1-CG 4.36Å; L332-Y338 WeakPolarHBondContact CD1-OH 3.44Å; N335-Y338 PolarHBondContact O-N 3Å; Y338-W340 PolarHBondContact O-N 3.39Å; Y338-M341 PolarHBondContact O-N 2.81Å; Y338-M341 VanDerWaalsContact O-N 3.07Å; Y338-V342 HydrophobicContact CD1-CG2 4.04Å; Y338-V342 HydrophobicContact CD2-CG2 4.18Å; Y338-V342 HydrophobicContact CE1-CG2 3.57Å; Y338-V342 HydrophobicContact CE2-CG2 3.73Å; Y338-V342 HydrophobicContact CG-CG2 4.33Å; Y338-V342 VanDerWaalsContact O-CG2 3.3Å; Y338-V342 WeakPolarHBondContact O-CG2 3.41Å; Y338-V342 PolarHBondContact O-N 3.27Å; Y338-I351 HydrophobicContact CE2-CD1 4.49Å; Y338-I351 WeakPolarHBondContact OH-CD1 3.36Å
339	N	86.8	Confident	91.6	Very high	102 Å²	102	58.2 Å²	58.2	55%	0.545	29%	0.294	S	S	.	.	H	α-helix	trans	-61.4	-31.1	-179.6	-79.3	-50.4	0	0	0	113.6	D179 Y337	D179-N339 PolarHBondContact OD2-ND2 2.97Å; D179-N339 PolarHBondContact OD2-OD1 3.47Å; Y337-N339 PolarHBondContact O-N 3.31Å
340	W	89.1	Confident	91.4	Very high	129 Å²	129	58.4 Å²	58.4	49%	0.489	31%	0.31	S	S	.	.	H	α-helix	trans	-75.4	-43.3	174.2	-177.9	82.4	0	0	0	111	W324 Y337 Y338 V342 G343 E344	W324-W340 HydrophobicContact CD2-CZ3 4.37Å; W324-W340 AromaticContact CE3-CH2 3.99Å; W324-W340 HydrophobicContact CE3-CH2 3.99Å; W324-W340 AromaticContact CE3-CZ3 3.75Å; W324-W340 HydrophobicContact CE3-CZ3 3.75Å; W324-W340 AromaticContact CH2-CH2 3.51Å; W324-W340 HydrophobicContact CH2-CH2 3.51Å; W324-W340 HydrophobicContact CH2-CZ3 4.11Å; W324-W340 HydrophobicContact CZ2-CH2 4.26Å; W324-W340 AromaticContact CZ3-CH2 3.36Å; W324-W340 HydrophobicContact CZ3-CH2 3.36Å; W324-W340 AromaticContact CZ3-CZ3 3.62Å; W324-W340 HydrophobicContact CZ3-CZ3 3.62Å; Y337-W340 WeakPolarHBondContact O-CB 3.27Å; Y337-W340 PolarHBondContact O-N 2.92Å; Y338-W340 PolarHBondContact O-N 3.39Å; W340-V342 VanDerWaalsContact C-N 3.32Å; W340-V342 PolarHBondContact O-N 3.38Å; W340-G343 PolarHBondContact O-N 3.48Å; W340-E344 HydrophobicContact CD2-CB 4.26Å; W340-E344 HydrophobicContact CE3-CB 4.25Å; W340-E344 HydrophobicContact CH2-CB 4.07Å; W340-E344 HydrophobicContact CH2-CG 3.65Å; W340-E344 HydrophobicContact CZ2-CB 4.04Å; W340-E344 HydrophobicContact CZ2-CG 3.74Å; W340-E344 HydrophobicContact CZ3-CB 4.15Å; W340-E344 HydrophobicContact CZ3-CG 4.14Å; W340-E344 WeakPolarHBondContact O-CB 3.32Å; W340-E344 PolarHBondContact O-N 3.11Å
341	M	92.9	Very high	91.1	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.6	-34.5	178.1	-73.2	-65.4	-64.1	0	0	113	W324 K329 Y337 Y338 G343 E344 C345	W324-M341 HydrophobicContact CB-CE 3.59Å; W324-M341 HydrophobicContact CB-SD 3.94Å; W324-M341 HydrophobicContact CD2-SD 4.33Å; W324-M341 HydrophobicContact CE3-CE 4.28Å; W324-M341 HydrophobicContact CE3-SD 3.83Å; W324-M341 HydrophobicContact CG-SD 4.43Å; K329-M341 HydrophobicContact CB-CE 4.18Å; K329-M341 HydrophobicContact CB-CG 3.8Å; K329-M341 HydrophobicContact CB-SD 3.99Å; K329-M341 WeakPolarHBondContact O-CG 3.2Å; Y337-M341 WeakPolarHBondContact O-CB 3.48Å; Y337-M341 WeakPolarHBondContact O-CG 3.44Å; Y337-M341 PolarHBondContact O-N 3.19Å; Y338-M341 PolarHBondContact O-N 2.81Å; Y338-M341 VanDerWaalsContact O-N 3.07Å; M341-G343 PolarHBondContact O-N 2.04Å; M341-E344 PolarHBondContact O-N 3.08Å; M341-C345 HydrophobicContact CE-CB 3.69Å; M341-C345 CarbonylContact O-C 3.46Å; M341-C345 VanDerWaalsContact O-C 3.23Å; M341-C345 VanDerWaalsContact O-CA 3.32Å; M341-C345 WeakPolarHBondContact O-CA 3.39Å; M341-C345 PolarHBondContact O-N 2.93Å; M341-C345 HydrophobicContact SD-CB 4.46Å
342	V	88.5	Confident	90.7	Very high	32 Å²	32	57.8 Å²	57.8	19%	0.194	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-30.3	172.4	170.8	0	0	0	0	111.8	Y338 W340 P346 I351	Y338-V342 HydrophobicContact CD1-CG2 4.04Å; Y338-V342 HydrophobicContact CD2-CG2 4.18Å; Y338-V342 HydrophobicContact CE1-CG2 3.57Å; Y338-V342 HydrophobicContact CE2-CG2 3.73Å; Y338-V342 HydrophobicContact CG-CG2 4.33Å; Y338-V342 VanDerWaalsContact O-CG2 3.3Å; Y338-V342 WeakPolarHBondContact O-CG2 3.41Å; Y338-V342 PolarHBondContact O-N 3.27Å; W340-V342 VanDerWaalsContact C-N 3.32Å; W340-V342 PolarHBondContact O-N 3.38Å; V342-P346 WeakPolarHBondContact O-CB 3.48Å; V342-I351 HydrophobicContact CG1-CG2 3.97Å; V342-I351 HydrophobicContact CG2-CD1 4.31Å; V342-I351 HydrophobicContact CG2-CG1 4.12Å
343	G	88.7	Confident	90.6	Very high	46 Å²	46	58.7 Å²	58.7	47%	0.474	32%	0.32	S	S	.	.	H	α-helix	trans	-85.2	-38.6	175.8	0	0	0	0	0	113.7	N317 W340 M341	N317-G343 PolarHBondContact ND2-O 3Å; W340-G343 PolarHBondContact O-N 3.48Å; M341-G343 PolarHBondContact O-N 2.04Å
344	E	94.1	Very high	90.6	Very high	44 Å²	44	59.4 Å²	59.4	21%	0.206	32%	0.321	C	S	.	.	H	α-helix	trans	-88.1	-39.8	-173.3	-170.7	70.9	-179.5	0	0	113.1	N317 N318 W324 W340 M341	N317-E344 PolarHBondContact N-O 3.23Å; N318-E344 HydrophobicContact CB-CG 3.99Å; N318-E344 WeakPolarHBondContact CB-OE1 2.99Å; N318-E344 PolarHBondContact ND2-OE1 3.49Å; N318-E344 VanDerWaalsContact ND2-OE1 3.11Å; W324-E344 HydrophobicContact CZ3-CG 4.07Å; W340-E344 HydrophobicContact CD2-CB 4.26Å; W340-E344 HydrophobicContact CE3-CB 4.25Å; W340-E344 HydrophobicContact CH2-CB 4.07Å; W340-E344 HydrophobicContact CH2-CG 3.65Å; W340-E344 HydrophobicContact CZ2-CB 4.04Å; W340-E344 HydrophobicContact CZ2-CG 3.74Å; W340-E344 HydrophobicContact CZ3-CB 4.15Å; W340-E344 HydrophobicContact CZ3-CG 4.14Å; W340-E344 WeakPolarHBondContact O-CB 3.32Å; W340-E344 PolarHBondContact O-N 3.11Å; M341-E344 PolarHBondContact O-N 3.08Å
345	C	95.9	Very high	91	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-129.9	45	-172.2	-61.2	0	0	0	0	112.6	D316 C321 M341 R347 T348 C349	D316-C345 VanDerWaalsContact OD1-CA 3.3Å; D316-C345 WeakPolarHBondContact OD1-CA 3.02Å; C321-C345 WeakPolarHBondContact CA-SG 3.32Å; C321-C345 HydrophobicContact CB-CB 3.62Å; C321-C345 WeakPolarHBondContact CB-SG 3.43Å; C321-C345 VanDerWaalsContact SG-CA 3.52Å; C321-C345 WeakPolarHBondContact SG-CB 3.41Å; C321-C345 CovalentContact SG-SG 2.03Å; C321-C345 PolarHBondContact SG-SG 3Å; M341-C345 HydrophobicContact CE-CB 3.69Å; M341-C345 CarbonylContact O-C 3.46Å; M341-C345 VanDerWaalsContact O-C 3.23Å; M341-C345 VanDerWaalsContact O-CA 3.32Å; M341-C345 WeakPolarHBondContact O-CA 3.39Å; M341-C345 PolarHBondContact O-N 2.93Å; M341-C345 HydrophobicContact SD-CB 4.46Å; C345-R347 VanDerWaalsContact C-N 3.28Å; C345-R347 PolarHBondContact O-N 3.36Å; C345-T348 PolarHBondContact O-N 2.86Å; C345-C349 WeakPolarHBondContact O-CB 3.45Å; C345-C349 PolarHBondContact O-N 2.73Å; C345-C349 PolarHBondContact O-SG 2.8Å
346	P	94.2	Very high	91.1	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.006	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-38.9	-172.2	23.8	-34.7	0	0	0	112.6	P311 V315 V342 G350 I351	P311-P346 HydrophobicContact CG-CB 3.76Å; P311-P346 HydrophobicContact CG-CG 3.76Å; V315-P346 WeakPolarHBondContact O-CD 3.31Å; V315-P346 VanDerWaalsContact O-CG 3.23Å; V315-P346 WeakPolarHBondContact O-CG 3.17Å; V342-P346 WeakPolarHBondContact O-CB 3.48Å; P346-G350 PolarHBondContact O-N 2.89Å; P346-G350 VanDerWaalsContact O-N 3.11Å; P346-I351 HydrophobicContact CB-CB 4.37Å; P346-I351 PolarHBondContact O-N 3.31Å
347	R	95.4	Very high	91.5	Very high	160 Å²	160	55 Å²	55	60%	0.604	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-46.4	-178.2	-174.7	-173	66.5	148.3	0.1	111.4	D316 C345 C349 G350 C352	D316-R347 PolarHBondContact OD1-N 2.82Å; D316-R347 IonicContact OD2-CZ 2.93Å; D316-R347 IonicContact OD2-NE 3.94Å; D316-R347 PolarHBondContact OD2-NE 2.78Å; D316-R347 IonicContact OD2-NH2 2.67Å; D316-R347 PolarHBondContact OD2-NH2 3.45Å; D316-R347 VanDerWaalsContact OD2-NH2 3.09Å; C345-R347 VanDerWaalsContact C-N 3.28Å; C345-R347 PolarHBondContact O-N 3.36Å; R347-C349 VanDerWaalsContact C-N 3.28Å; R347-C349 PolarHBondContact O-N 2.84Å; R347-G350 PolarHBondContact O-N 3.41Å; R347-G350 VanDerWaalsContact O-N 3.07Å; R347-C352 WeakPolarHBondContact CA-SG 3.2Å
348	T	96.4	Very high	91.5	Very high	20 Å²	20	50.9 Å²	50.9	12%	0.123	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-38.8	175.9	-73.2	0	0	0	0	111.3	D316 C321 K325 C345 G350	D316-T348 WeakPolarHBondContact OD1-CB 3.15Å; D316-T348 PolarHBondContact OD1-N 3.16Å; D316-T348 PolarHBondContact OD1-OG1 3.4Å; D316-T348 PolarHBondContact OD2-N 2.85Å; D316-T348 PolarHBondContact OD2-OG1 2.67Å; C321-T348 HydrophobicContact CB-CG2 4.05Å; C321-T348 WeakPolarHBondContact O-CG2 3.33Å; K325-T348 HydrophobicContact CB-CG2 3.71Å; K325-T348 HydrophobicContact CD-CG2 3.61Å; K325-T348 VanDerWaalsContact CD-O 3.28Å; K325-T348 WeakPolarHBondContact CD-O 3.46Å; K325-T348 WeakPolarHBondContact CE-O 3.38Å; K325-T348 HydrophobicContact CG-CG2 4.26Å; K325-T348 PolarHBondContact NZ-O 3.49Å; C345-T348 PolarHBondContact O-N 2.86Å; T348-G350 VanDerWaalsContact C-N 3.26Å; T348-G350 PolarHBondContact O-N 2.82Å
349	C	94.5	Very high	91.6	Very high	19 Å²	19	52.2 Å²	52.2	13%	0.128	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-1.8	176	-63	0	0	0	0	114.6	C330 C345 R347 I351	C330-C349 HydrophobicContact CB-CB 3.71Å; C330-C349 WeakPolarHBondContact CB-SG 3.46Å; C330-C349 WeakPolarHBondContact SG-CA 3.45Å; C330-C349 WeakPolarHBondContact SG-CB 3.04Å; C330-C349 CovalentContact SG-SG 2.05Å; C330-C349 PolarHBondContact SG-SG 3.44Å; C345-C349 WeakPolarHBondContact O-CB 3.45Å; C345-C349 PolarHBondContact O-N 2.73Å; C345-C349 PolarHBondContact O-SG 2.8Å; R347-C349 VanDerWaalsContact C-N 3.28Å; R347-C349 PolarHBondContact O-N 2.84Å; C349-I351 HydrophobicContact CB-CG1 3.97Å
350	G	92.2	Very high	92	Very high	52 Å²	52	48.4 Å²	48.4	54%	0.536	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	34.3	177.2	0	0	0	0	0	114.1	P346 R347 T348	P346-G350 PolarHBondContact O-N 2.89Å; P346-G350 VanDerWaalsContact O-N 3.11Å; R347-G350 PolarHBondContact O-N 3.41Å; R347-G350 VanDerWaalsContact O-N 3.07Å; T348-G350 VanDerWaalsContact C-N 3.26Å; T348-G350 PolarHBondContact O-N 2.82Å
351	I	88.2	Confident	92.2	Very high	31 Å²	31	41.7 Å²	41.7	16%	0.159	26%	0.256	C	S	.	.			trans	-98.1	-6	-178.7	-52.4	-64.6	0	0	0	112.1	K309 G310 Y338 V342 P346 C349	K309-I351 CarbonylContact C-O 3.52Å; G310-I351 WeakPolarHBondContact CA-O 3.44Å; Y338-I351 HydrophobicContact CE2-CD1 4.49Å; Y338-I351 WeakPolarHBondContact OH-CD1 3.36Å; V342-I351 HydrophobicContact CG1-CG2 3.97Å; V342-I351 HydrophobicContact CG2-CD1 4.31Å; V342-I351 HydrophobicContact CG2-CG1 4.12Å; P346-I351 HydrophobicContact CB-CB 4.37Å; P346-I351 PolarHBondContact O-N 3.31Å; C349-I351 HydrophobicContact CB-CG1 3.97Å
352	C	86.1	Confident	92.2	Very high	95 Å²	95	45.5 Å²	45.5	64%	0.642	28%	0.279	S	S	*	.			trans	-77.1	0	163.6	-40	0	0	0	0	109.9	C314 R347	C314-C352 HydrophobicContact CB-CB 3.68Å; C314-C352 WeakPolarHBondContact CB-SG 3.28Å; C314-C352 WeakPolarHBondContact SG-CA 3.4Å; C314-C352 WeakPolarHBondContact SG-CB 3.02Å; C314-C352 PolarHBondContact SG-N 3.36Å; C314-C352 VanDerWaalsContact SG-N 3.43Å; C314-C352 CovalentContact SG-SG 2Å; C314-C352 PolarHBondContact SG-SG 3.08Å; R347-C352 WeakPolarHBondContact CA-SG 3.2Å

Retrieved 352 of 352 residues in 66 ms (Link to these results)

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