A0A087XUD4_POEFO Loading...

Serotransferrin

Transferrins are iron binding transport proteins which bind Fe(3+) ion in association with the binding of an anion, usually bicarbonate. Transferrins are iron binding transport proteins which can bind two Fe(3+) ions in association with the binding of an anion, usually bicarbonate.

AlphaFold DB , UniProt , Accession A0A087XUD4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 691 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.2	Very low	49	Very low	230 Å²	230	123.9 Å²	123.9	100%	1.133	67%	0.672	S	S	*	*				0	29.6	0	-71.6	172	66	0	0	114.2
2	K	51.2	Low	48.6	Very low	192 Å²	192	120.3 Å²	120.3	84%	0.835	66%	0.661	S	S	*	*			trans	-125.4	-11.3	178.5	-90.9	179.1	174.6	178.6	0	117.8
3	P	49.6	Very low	48.2	Very low	97 Å²	97	120.3 Å²	120.3	63%	0.63	66%	0.659	S	S	*	*	S	Bend	trans	-93.1	-19.2	173.2	33.7	-29.9	0	0	0	113.5
4	L	48.1	Very low	47.8	Very low	139 Å²	139	116.7 Å²	116.7	73%	0.728	65%	0.653	S	S	*	*	H	α-helix	trans	-75.1	-28.2	-176.4	-122.6	85.1	0	0	0	113.6	V8	L4-V8 WeakPolarHBondContact O-CG2 3.47Å; L4-V8 PolarHBondContact O-N 3.06Å
5	L	45.1	Very low	47.4	Very low	126 Å²	126	114.1 Å²	114.1	66%	0.66	65%	0.653	S	S	*	*	H	α-helix	trans	-75.9	-31.5	-177.6	-128.2	91.7	0	0	0	112.7	L9	L5-L9 WeakPolarHBondContact O-CD1 3.29Å; L5-L9 PolarHBondContact O-N 2.74Å; L5-L9 VanDerWaalsContact O-N 3.14Å
6	L	47.1	Very low	47	Very low	114 Å²	114	114.6 Å²	114.6	60%	0.597	66%	0.658	S	S	*	*	H	α-helix	trans	-72.8	-34.8	179.1	-103.5	123.8	0	0	0	112.2	L9 L10	L6-L9 PolarHBondContact O-N 2.95Å; L6-L10 HydrophobicContact CD2-CD1 4.21Å; L6-L10 WeakPolarHBondContact O-CB 3.2Å; L6-L10 WeakPolarHBondContact O-CD1 3.35Å; L6-L10 PolarHBondContact O-N 2.87Å
7	V	53.6	Low	46.8	Very low	107 Å²	107	116.8 Å²	116.8	65%	0.648	67%	0.666	S	S	*	*	H	α-helix	trans	-70.2	-34.4	177.2	180	0	0	0	0	111.4	G11	V7-G11 PolarHBondContact O-N 3.32Å
8	V	53	Low	46.7	Very low	93 Å²	93	114.6 Å²	114.6	56%	0.564	67%	0.665	S	S	*	*	H	α-helix	trans	-73.3	-36.6	176.2	177.3	0	0	0	0	111.6	L4 G11 C12	L4-V8 WeakPolarHBondContact O-CG2 3.47Å; L4-V8 PolarHBondContact O-N 3.06Å; V8-G11 PolarHBondContact O-N 3.42Å; V8-C12 WeakPolarHBondContact O-CB 3.48Å; V8-C12 PolarHBondContact O-N 3.46Å; V8-C12 PolarHBondContact O-SG 3.35Å
9	L	48.9	Very low	46.8	Very low	105 Å²	105	113.2 Å²	113.2	55%	0.55	67%	0.667	S	S	.	*	H	α-helix	trans	-71.9	-37.4	174.8	-99.3	117.4	0	0	0	113.3	L5 L6 C12 L13	L5-L9 WeakPolarHBondContact O-CD1 3.29Å; L5-L9 PolarHBondContact O-N 2.74Å; L5-L9 VanDerWaalsContact O-N 3.14Å; L6-L9 PolarHBondContact O-N 2.95Å; L9-C12 PolarHBondContact O-N 3.29Å; L9-L13 WeakPolarHBondContact O-CD1 3.33Å; L9-L13 PolarHBondContact O-N 3.32Å
10	L	49.6	Very low	47.2	Very low	118 Å²	118	113.3 Å²	113.3	62%	0.618	67%	0.672	S	S	*	*	H	α-helix	trans	-70.4	-33	172.1	-91.9	128.7	0	0	0	112.5	L6 L13 A14	L6-L10 HydrophobicContact CD2-CD1 4.21Å; L6-L10 WeakPolarHBondContact O-CB 3.2Å; L6-L10 WeakPolarHBondContact O-CD1 3.35Å; L6-L10 PolarHBondContact O-N 2.87Å; L10-L13 PolarHBondContact O-N 3.43Å; L10-A14 WeakPolarHBondContact O-CB 3.3Å; L10-A14 PolarHBondContact O-N 3.41Å
11	G	47	Very low	48	Very low	42 Å²	42	112 Å²	112	43%	0.433	67%	0.674	S	S	.	*	H	α-helix	trans	-66.6	-38.8	171.9	0	0	0	0	0	113.3	V7 V8 A14 A15	V7-G11 PolarHBondContact O-N 3.32Å; V8-G11 PolarHBondContact O-N 3.42Å; G11-A14 PolarHBondContact O-N 2.7Å; G11-A15 PolarHBondContact O-N 3.28Å; G11-A15 VanDerWaalsContact O-N 3.15Å
12	C	43.8	Very low	49.7	Very low	80 Å²	80	104.4 Å²	104.4	54%	0.541	65%	0.648	S	S	.	*	H	α-helix	trans	-72.8	-31.1	174.7	-74.8	0	0	0	0	113.2	V8 L9 V16	V8-C12 WeakPolarHBondContact O-CB 3.48Å; V8-C12 PolarHBondContact O-N 3.46Å; V8-C12 PolarHBondContact O-SG 3.35Å; L9-C12 PolarHBondContact O-N 3.29Å; C12-V16 WeakPolarHBondContact O-CG2 3.2Å; C12-V16 PolarHBondContact O-N 3.11Å
13	L	42.8	Very low	51.7	Low	121 Å²	121	100.1 Å²	100.1	63%	0.634	63%	0.629	S	S	*	*	H	α-helix	trans	-73.6	-28.9	172.4	-99.3	124.4	0	0	0	113	L9 L10	L9-L13 WeakPolarHBondContact O-CD1 3.33Å; L9-L13 PolarHBondContact O-N 3.32Å; L10-L13 PolarHBondContact O-N 3.43Å
14	A	43.7	Very low	54	Low	70 Å²	70	95.5 Å²	95.5	58%	0.579	60%	0.599	S	S	*	*	H	α-helix	trans	-75.2	-28.3	172.8	0	0	0	0	0	113	L10 G11	L10-A14 WeakPolarHBondContact O-CB 3.3Å; L10-A14 PolarHBondContact O-N 3.41Å; G11-A14 PolarHBondContact O-N 2.7Å
15	A	41.7	Very low	56.4	Low	78 Å²	78	92.5 Å²	92.5	65%	0.645	58%	0.578	S	S	*	*	H	α-helix	trans	-78.4	-15	177.4	0	0	0	0	0	114.1	G11 L17	G11-A15 PolarHBondContact O-N 3.28Å; G11-A15 VanDerWaalsContact O-N 3.15Å; A15-L17 VanDerWaalsContact C-N 3.34Å
16	V	40.9	Very low	59	Low	121 Å²	121	86.6 Å²	86.6	73%	0.733	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-5.4	176.7	177.1	0	0	0	0	112.3	C12	C12-V16 WeakPolarHBondContact O-CG2 3.2Å; C12-V16 PolarHBondContact O-N 3.11Å
17	L	43.8	Very low	61.4	Low	153 Å²	153	81.2 Å²	81.2	80%	0.801	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	13.1	-178.5	-84.1	161.9	0	0	0	115	A15	A15-L17 VanDerWaalsContact C-N 3.34Å
18	A	44.8	Very low	63.5	Low	77 Å²	77	76.1 Å²	76.1	64%	0.636	49%	0.488	S	S	*	.			trans	-139.4	56.9	173	0	0	0	0	0	111.1	P20	A18-P20 WeakPolarHBondContact O-CD 3.17Å
19	A	47.8	Very low	65.4	Low	87 Å²	87	72.9 Å²	72.9	72%	0.719	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-57.5	123.6	148.9	0	0	0	0	0	105.9	A21	A19-A21 PolarHBondContact O-N 3.27Å
20	P	55.4	Low	67.4	Low	116 Å²	116	68.1 Å²	68.1	75%	0.753	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-54.4	134.9	176.9	21	-30.1	0	0	0	108	A18 A22	A18-P20 WeakPolarHBondContact O-CD 3.17Å; P20-A22 PolarHBondContact O-N 2.83Å
21	A	63.2	Low	69.5	Low	87 Å²	87	65.9 Å²	65.9	72%	0.719	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-49	131.6	174.7	0	0	0	0	0	108.6	A19 K23	A19-A21 PolarHBondContact O-N 3.27Å; A21-K23 PolarHBondContact O-N 3.41Å; A21-K23 VanDerWaalsContact O-N 3.12Å
22	A	82.9	Confident	71.6	Confident	70 Å²	70	66.3 Å²	66.3	58%	0.579	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-56.1	121.5	-178.5	0	0	0	0	0	109	P20 L270	P20-A22 PolarHBondContact O-N 2.83Å; A22-L270 HydrophobicContact CB-CD2 3.81Å
23	K	93.8	Very high	74.1	Confident	101 Å²	101	62.9 Å²	62.9	44%	0.439	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-93.7	143.3	179	-60.5	-168.7	177.6	-156.7	0	110.1	A21 R25 E45 A46	A21-K23 PolarHBondContact O-N 3.41Å; A21-K23 VanDerWaalsContact O-N 3.12Å; K23-R25 PolarHBondContact O-N 3.26Å; K23-E45 VanDerWaalsContact CD-O 3.28Å; K23-E45 WeakPolarHBondContact CD-O 3.42Å; K23-E45 WeakPolarHBondContact CE-O 3.48Å; K23-E45 PolarHBondContact NZ-O 3.03Å; K23-A46 CarbonylContact C-O 3.2Å; K23-A46 VanDerWaalsContact CA-O 3.3Å; K23-A46 WeakPolarHBondContact CA-O 3.44Å
24	V	97.8	Very high	76.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	117.4	169.3	179.9	0	0	0	0	108.9	W26 A46 F47 S48 D68 L270 I271 S274	V24-W26 HydrophobicContact CG1-CE3 4.05Å; V24-W26 PolarHBondContact O-N 3.05Å; V24-A46 PolarHBondContact N-O 3.34Å; V24-F47 HydrophobicContact CB-CD1 4Å; V24-F47 HydrophobicContact CB-CE1 4.12Å; V24-F47 HydrophobicContact CG1-CD1 4.23Å; V24-F47 HydrophobicContact CG1-CE1 4.18Å; V24-F47 WeakPolarHBondContact O-CA 3.05Å; V24-S48 PolarHBondContact O-N 2.95Å; V24-S48 PolarHBondContact O-OG 3.49Å; V24-D68 HydrophobicContact CG1-CB 4.34Å; V24-L270 HydrophobicContact CG2-CD2 4.36Å; V24-L270 HydrophobicContact CG2-CG 4.02Å; V24-I271 HydrophobicContact CG1-CG1 3.98Å; V24-I271 HydrophobicContact CG2-CG1 4.11Å; V24-S274 WeakPolarHBondContact CG2-OG 3.23Å
25	R	98.3	Very high	79.2	Confident	76 Å²	76	63.5 Å²	63.5	29%	0.287	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	94.2	173.2	-62.8	168.1	-65.1	168.2	3.4	109.8	K23 S48 V50 S65 E66 D68 A69	K23-R25 PolarHBondContact O-N 3.26Å; R25-S48 CarbonylContact C-O 3.54Å; R25-S48 WeakPolarHBondContact CA-O 3.5Å; R25-S48 VanDerWaalsContact CG-OG 3.28Å; R25-S48 WeakPolarHBondContact CG-OG 3.35Å; R25-V50 HydrophobicContact CB-CG2 3.98Å; R25-S65 PolarHBondContact NH1-O 3.24Å; R25-S65 PolarHBondContact NH2-O 3.05Å; R25-E66 PolarHBondContact NH1-O 2.98Å; R25-D68 HydrophobicContact CB-CB 4.39Å; R25-D68 VanDerWaalsContact CB-OD2 3.23Å; R25-D68 WeakPolarHBondContact CB-OD2 3.47Å; R25-D68 WeakPolarHBondContact CG-OD2 3.2Å; R25-D68 IonicContact CZ-OD1 3.78Å; R25-D68 IonicContact CZ-OD2 3.61Å; R25-D68 PolarHBondContact N-OD2 3.32Å; R25-D68 IonicContact NE-OD1 2.7Å; R25-D68 PolarHBondContact NE-OD1 3.49Å; R25-D68 IonicContact NE-OD2 2.79Å; R25-D68 PolarHBondContact NE-OD2 3.41Å; R25-D68 IonicContact NH2-OD1 3.73Å; R25-D68 PolarHBondContact NH2-OD1 2.05Å; R25-D68 IonicContact NH2-OD2 3Å; R25-D68 PolarHBondContact O-N 2.96Å; R25-A69 PolarHBondContact O-N 2.77Å
26	W	98.6	Very high	81.9	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.008	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	124	179.9	-157.8	-87.5	0	0	0	111.1	V24 F47 S48 C49 V50 A69 T71 V259 I271 L275 M296 F297	V24-W26 HydrophobicContact CG1-CE3 4.05Å; V24-W26 PolarHBondContact O-N 3.05Å; W26-F47 HydrophobicContact CE3-CD1 4.41Å; W26-F47 HydrophobicContact CE3-CE1 4.07Å; W26-F47 HydrophobicContact CZ3-CE1 4.49Å; W26-S48 PolarHBondContact N-O 2.81Å; W26-C49 WeakPolarHBondContact O-CA 3.44Å; W26-V50 PolarHBondContact O-N 3.24Å; W26-A69 HydrophobicContact CE3-CB 3.92Å; W26-A69 HydrophobicContact CH2-CB 4.36Å; W26-A69 HydrophobicContact CZ3-CB 3.75Å; W26-T71 WeakPolarHBondContact CZ2-OG1 3.41Å; W26-V259 HydrophobicContact CH2-CB 4.49Å; W26-V259 HydrophobicContact CH2-CG1 3.73Å; W26-V259 HydrophobicContact CH2-CG2 3.89Å; W26-V259 HydrophobicContact CZ3-CG1 4.17Å; W26-I271 HydrophobicContact CZ3-CG2 4.3Å; W26-L275 HydrophobicContact CH2-CD1 3.96Å; W26-L275 HydrophobicContact CH2-CD2 4.19Å; W26-L275 HydrophobicContact CZ3-CD1 3.91Å; W26-L275 HydrophobicContact CZ3-CD2 4.08Å; W26-L275 HydrophobicContact CZ3-CG 4.29Å; W26-M296 VanDerWaalsContact CD1-CE 3.45Å; W26-M296 HydrophobicContact CD2-CE 4.37Å; W26-M296 HydrophobicContact CG-CE 3.93Å; W26-F297 HydrophobicContact CH2-CE1 4.2Å; W26-F297 HydrophobicContact CH2-CE2 4.3Å; W26-F297 AromaticContact CH2-CZ 3.5Å; W26-F297 HydrophobicContact CH2-CZ 3.5Å; W26-F297 HydrophobicContact CZ2-CE1 4.1Å; W26-F297 AromaticContact CZ2-CE2 3.9Å; W26-F297 HydrophobicContact CZ2-CE2 3.9Å; W26-F297 AromaticContact CZ2-CZ 3.42Å; W26-F297 HydrophobicContact CZ2-CZ 3.42Å; W26-F297 VanDerWaalsContact CZ2-CZ 3.42Å
27	C	98.6	Very high	84.6	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.007	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	135.7	177.6	-158.3	0	0	0	0	111.6	V50 C58 A67 A69 I70	C27-V50 CarbonylContact C-O 3.59Å; C27-V50 VanDerWaalsContact CA-O 3.29Å; C27-V50 WeakPolarHBondContact CA-O 3.36Å; C27-V50 PolarHBondContact SG-O 2.88Å; C27-C58 HydrophobicContact CB-CB 3.67Å; C27-C58 WeakPolarHBondContact CB-SG 3.46Å; C27-C58 WeakPolarHBondContact SG-CA 3.36Å; C27-C58 WeakPolarHBondContact SG-CB 3.33Å; C27-C58 CovalentContact SG-SG 2.03Å; C27-C58 PolarHBondContact SG-SG 3.32Å; C27-A67 HydrophobicContact CB-CB 3.83Å; C27-A69 PolarHBondContact N-O 2.89Å; C27-I70 HydrophobicContact CB-CB 4.24Å
28	V	97.1	Very high	87.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.9	180	-65.2	0	0	0	0	110.5	E33 L34 C37 V50 R51 K52 M296	V28-E33 WeakPolarHBondContact CA-OE2 3.41Å; V28-E33 HydrophobicContact CB-CB 3.71Å; V28-E33 HydrophobicContact CG1-CB 3.9Å; V28-L34 HydrophobicContact CG2-CB 3.93Å; V28-L34 HydrophobicContact CG2-CD1 3.99Å; V28-C37 HydrophobicContact CG1-CB 3.81Å; V28-V50 PolarHBondContact N-O 2.78Å; V28-R51 HydrophobicContact CG2-CB 4.11Å; V28-R51 WeakPolarHBondContact O-CA 3.17Å; V28-K52 PolarHBondContact O-N 3.29Å; V28-M296 HydrophobicContact CG1-CG 4.3Å
29	K	92.9	Very high	89.6	Confident	25 Å²	25	50.3 Å²	50.3	11%	0.109	29%	0.287	C	S	.	.	S	Bend	trans	-114.8	7.6	-171.2	55.5	172.9	175.4	-170.3	0	114.4	E33 K52 Y199	K29-E33 WeakPolarHBondContact CE-OE1 3.27Å; K29-E33 WeakPolarHBondContact CG-OE2 3.43Å; K29-E33 PolarHBondContact N-OE2 3.3Å; K29-K52 WeakPolarHBondContact CA-O 3.28Å; K29-Y199 PolarHBondContact NZ-OH 3.13Å
30	S	91.4	Very high	92	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.042	25%	0.253	C	S	.	.	S	Bend	trans	-152	162.1	176.7	66.9	0	0	0	0	112.2	Q32 E33 L34	S30-Q32 PolarHBondContact O-N 3.22Å; S30-E33 PolarHBondContact O-N 3.1Å; S30-E33 WeakPolarHBondContact OG-CB 3.34Å; S30-E33 WeakPolarHBondContact OG-CG 3.31Å; S30-E33 PolarHBondContact OG-N 2.68Å; S30-E33 VanDerWaalsContact OG-N 3.13Å; S30-L34 WeakPolarHBondContact O-CB 3.42Å; S30-L34 PolarHBondContact O-N 3.01Å
31	D	92.5	Very high	93.9	Very high	70 Å²	70	42 Å²	42	37%	0.374	23%	0.228	S	C	.	.	H	α-helix	trans	-63.1	-33.7	174.9	-66.8	-33.7	0	0	0	111.9	L34 R35 R51	D31-L34 PolarHBondContact O-N 3.03Å; D31-R35 WeakPolarHBondContact O-CG 3.45Å; D31-R35 PolarHBondContact O-N 3.29Å; D31-R51 IonicContact OD1-CZ 2.73Å; D31-R51 IonicContact OD1-NH1 3.83Å; D31-R51 PolarHBondContact OD1-NH1 2.92Å; D31-R51 IonicContact OD1-NH2 2.75Å
32	Q	92.8	Very high	95.4	Very high	51 Å²	51	42 Å²	42	24%	0.238	23%	0.228	C	C	.	.	H	α-helix	trans	-68.4	-43.7	177.2	-66.2	75.9	15.7	0	0	111.4	S30 L34 R35 K36 A292 L295	S30-Q32 PolarHBondContact O-N 3.22Å; Q32-L34 VanDerWaalsContact C-N 3.33Å; Q32-R35 PolarHBondContact O-N 3.42Å; Q32-K36 PolarHBondContact O-N 2.92Å; Q32-K36 VanDerWaalsContact O-N 3.13Å; Q32-A292 HydrophobicContact CB-CB 4.24Å; Q32-A292 HydrophobicContact CG-CB 4.12Å; Q32-L295 HydrophobicContact CB-CD1 4.16Å; Q32-L295 HydrophobicContact CB-CD2 3.84Å
33	E	95.6	Very high	96	Very high	9 Å²	9	41.1 Å²	41.1	4%	0.042	22%	0.22	C	C	.	.	H	α-helix	trans	-65.6	-36.5	173.3	-73.3	-178.7	-179.9	0	0	111.8	V28 K29 S30 R35 K36 C37 L295 M296	V28-E33 WeakPolarHBondContact CA-OE2 3.41Å; V28-E33 HydrophobicContact CB-CB 3.71Å; V28-E33 HydrophobicContact CG1-CB 3.9Å; K29-E33 WeakPolarHBondContact CE-OE1 3.27Å; K29-E33 WeakPolarHBondContact CG-OE2 3.43Å; K29-E33 PolarHBondContact N-OE2 3.3Å; S30-E33 PolarHBondContact O-N 3.1Å; S30-E33 WeakPolarHBondContact OG-CB 3.34Å; S30-E33 WeakPolarHBondContact OG-CG 3.31Å; S30-E33 PolarHBondContact OG-N 2.68Å; S30-E33 VanDerWaalsContact OG-N 3.13Å; E33-R35 VanDerWaalsContact C-N 3.34Å; E33-R35 PolarHBondContact O-N 2.78Å; E33-K36 PolarHBondContact O-N 2.93Å; E33-C37 VanDerWaalsContact O-CB 3.27Å; E33-C37 WeakPolarHBondContact O-CB 3.26Å; E33-C37 PolarHBondContact O-N 2.95Å; E33-L295 HydrophobicContact CG-CB 4.15Å; E33-L295 HydrophobicContact CG-CD2 3.7Å; E33-M296 HydrophobicContact CB-CG 4.45Å
34	L	96.8	Very high	96	Very high	48 Å²	48	37.4 Å²	37.4	25%	0.251	21%	0.207	S	C	.	.	H	α-helix	trans	-62.6	-40.5	175.6	-179.2	61.4	0	0	0	112.1	V28 S30 D31 Q32 C37 T38 C49 R51	V28-L34 HydrophobicContact CG2-CB 3.93Å; V28-L34 HydrophobicContact CG2-CD1 3.99Å; S30-L34 WeakPolarHBondContact O-CB 3.42Å; S30-L34 PolarHBondContact O-N 3.01Å; D31-L34 PolarHBondContact O-N 3.03Å; Q32-L34 VanDerWaalsContact C-N 3.33Å; L34-C37 PolarHBondContact O-N 2.99Å; L34-T38 WeakPolarHBondContact O-CB 3.23Å; L34-T38 PolarHBondContact O-N 3.39Å; L34-T38 PolarHBondContact O-OG1 3.15Å; L34-C49 HydrophobicContact CD1-CB 3.77Å; L34-R51 HydrophobicContact CD1-CB 4.28Å; L34-R51 HydrophobicContact CD2-CB 4.05Å; L34-R51 HydrophobicContact CD2-CG 4.38Å
35	R	96.7	Very high	95.8	Very high	156 Å²	156	45 Å²	45	59%	0.589	24%	0.243	S	C	*	.	H	α-helix	trans	-59.4	-54.2	172.8	-71	172.4	-166.9	176.7	4	110.7	D31 Q32 E33 C37 T38 D39 Y289	D31-R35 WeakPolarHBondContact O-CG 3.45Å; D31-R35 PolarHBondContact O-N 3.29Å; Q32-R35 PolarHBondContact O-N 3.42Å; E33-R35 VanDerWaalsContact C-N 3.34Å; E33-R35 PolarHBondContact O-N 2.78Å; R35-C37 VanDerWaalsContact C-N 3.3Å; R35-C37 PolarHBondContact O-N 3.33Å; R35-T38 PolarHBondContact O-N 2.86Å; R35-D39 PolarHBondContact O-N 2.87Å; R35-Y289 HydrophobicContact CB-CD1 4.47Å; R35-Y289 HydrophobicContact CB-CE1 4.5Å
36	K	97.7	Very high	95.6	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-57.6	-41.6	178.5	-176.4	177.3	174.9	175.5	0	112.7	Q32 E33 D39 L40 F281 L283 S285 Y289 L295 M296	Q32-K36 PolarHBondContact O-N 2.92Å; Q32-K36 VanDerWaalsContact O-N 3.13Å; E33-K36 PolarHBondContact O-N 2.93Å; K36-D39 PolarHBondContact O-N 3.5Å; K36-L40 PolarHBondContact O-N 3.12Å; K36-F281 HydrophobicContact CG-CE1 4.3Å; K36-F281 HydrophobicContact CG-CZ 3.82Å; K36-F281 WeakPolarHBondContact O-CZ 3.33Å; K36-L283 WeakPolarHBondContact CE-O 3.31Å; K36-L283 PolarHBondContact NZ-O 2.67Å; K36-S285 WeakPolarHBondContact CE-O 3.24Å; K36-S285 PolarHBondContact NZ-O 3.4Å; K36-Y289 HydrophobicContact CB-CD1 4.25Å; K36-Y289 HydrophobicContact CB-CD2 4.24Å; K36-Y289 HydrophobicContact CB-CE1 3.88Å; K36-Y289 HydrophobicContact CB-CE2 3.88Å; K36-Y289 HydrophobicContact CB-CG 4.42Å; K36-Y289 HydrophobicContact CD-CD2 4.22Å; K36-Y289 HydrophobicContact CD-CE2 3.95Å; K36-Y289 HydrophobicContact CG-CD2 4.24Å; K36-Y289 HydrophobicContact CG-CE1 4.45Å; K36-Y289 HydrophobicContact CG-CE2 3.63Å; K36-L295 HydrophobicContact CB-CD1 4.44Å; K36-L295 HydrophobicContact CD-CB 3.55Å; K36-L295 HydrophobicContact CD-CD1 4.35Å; K36-L295 WeakPolarHBondContact CD-O 3.41Å; K36-L295 WeakPolarHBondContact CE-O 3.03Å; K36-L295 PolarHBondContact NZ-O 3.25Å; K36-M296 HydrophobicContact CB-SD 4.17Å; K36-M296 HydrophobicContact CD-CG 4.46Å; K36-M296 HydrophobicContact CD-SD 4.13Å; K36-M296 HydrophobicContact CG-SD 3.85Å
37	C	97.8	Very high	95.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.2	-39.1	177.2	-178.9	0	0	0	0	111.8	V28 E33 L34 R35 D39 L40 A41 C49 M296	V28-C37 HydrophobicContact CG1-CB 3.81Å; E33-C37 VanDerWaalsContact O-CB 3.27Å; E33-C37 WeakPolarHBondContact O-CB 3.26Å; E33-C37 PolarHBondContact O-N 2.95Å; L34-C37 PolarHBondContact O-N 2.99Å; R35-C37 VanDerWaalsContact C-N 3.3Å; R35-C37 PolarHBondContact O-N 3.33Å; C37-D39 VanDerWaalsContact C-N 3.32Å; C37-L40 WeakPolarHBondContact O-CB 3.41Å; C37-L40 PolarHBondContact O-N 3.1Å; C37-A41 WeakPolarHBondContact O-CB 3.4Å; C37-A41 PolarHBondContact O-N 3.28Å; C37-C49 HydrophobicContact CB-CB 3.93Å; C37-C49 WeakPolarHBondContact CB-SG 3.47Å; C37-C49 PolarHBondContact O-SG 3.42Å; C37-C49 WeakPolarHBondContact SG-CB 3.38Å; C37-C49 CovalentContact SG-SG 2.04Å; C37-C49 PolarHBondContact SG-SG 3.2Å; C37-M296 HydrophobicContact CB-CE 3.91Å; C37-M296 HydrophobicContact CB-SD 3.77Å
38	T	97.6	Very high	95.5	Very high	74 Å²	74	44.6 Å²	44.6	45%	0.454	25%	0.253	S	S	.	.	H	α-helix	trans	-65.6	-39.7	178.1	-55.7	0	0	0	0	110.7	L34 R35 L40 A41 A42 C49	L34-T38 WeakPolarHBondContact O-CB 3.23Å; L34-T38 PolarHBondContact O-N 3.39Å; L34-T38 PolarHBondContact O-OG1 3.15Å; R35-T38 PolarHBondContact O-N 2.86Å; T38-L40 VanDerWaalsContact C-N 3.34Å; T38-A41 PolarHBondContact O-N 3.22Å; T38-A42 PolarHBondContact O-N 3.33Å; T38-C49 PolarHBondContact N-SG 3.18Å
39	D	97.5	Very high	95.5	Very high	77 Å²	77	46.4 Å²	46.4	41%	0.412	27%	0.265	S	S	.	.	H	α-helix	trans	-66.2	-36.8	174.4	-64.8	-20.4	0	0	0	111.4	R35 K36 C37 A42 A43 F281 Y289	R35-D39 PolarHBondContact O-N 2.87Å; K36-D39 PolarHBondContact O-N 3.5Å; C37-D39 VanDerWaalsContact C-N 3.32Å; D39-A42 PolarHBondContact O-N 3.28Å; D39-A43 WeakPolarHBondContact O-CB 3.44Å; D39-A43 PolarHBondContact O-N 2.03Å; D39-F281 HydrophobicContact CB-CE2 3.81Å; D39-F281 HydrophobicContact CB-CZ 4.49Å; D39-Y289 WeakPolarHBondContact CB-OH 3.04Å; D39-Y289 WeakPolarHBondContact OD2-CE1 3.48Å; D39-Y289 PolarHBondContact OD2-OH 3.46Å; D39-Y289 VanDerWaalsContact OD2-OH 3.09Å
40	L	97	Very high	95.8	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-46.5	170.2	172.6	63.7	0	0	0	111.7	K36 C37 T38 A42 A43 S44 F47 V278 F281 L283 M296	K36-L40 PolarHBondContact O-N 3.12Å; C37-L40 WeakPolarHBondContact O-CB 3.41Å; C37-L40 PolarHBondContact O-N 3.1Å; T38-L40 VanDerWaalsContact C-N 3.34Å; L40-A42 PolarHBondContact O-N 3.26Å; L40-A43 CarbonylContact O-C 3.56Å; L40-A43 PolarHBondContact O-N 3.22Å; L40-A43 VanDerWaalsContact O-N 3.07Å; L40-S44 PolarHBondContact O-N 3.21Å; L40-F47 HydrophobicContact CD1-CD2 4.27Å; L40-F47 HydrophobicContact CD1-CE2 4.42Å; L40-F47 HydrophobicContact CD2-CD1 4.22Å; L40-F47 HydrophobicContact CD2-CD2 4.1Å; L40-F47 HydrophobicContact CD2-CE1 4.47Å; L40-F47 HydrophobicContact CD2-CE2 4.36Å; L40-F47 HydrophobicContact CD2-CG 4.03Å; L40-F47 HydrophobicContact CG-CB 4.49Å; L40-F47 HydrophobicContact CG-CD2 4.02Å; L40-F47 HydrophobicContact CG-CG 4.22Å; L40-V278 HydrophobicContact CD1-CG1 4.07Å; L40-V278 HydrophobicContact CD1-CG2 4.09Å; L40-F281 HydrophobicContact CB-CD1 4.22Å; L40-F281 HydrophobicContact CB-CD2 4.47Å; L40-F281 HydrophobicContact CB-CE1 3.92Å; L40-F281 HydrophobicContact CB-CE2 4.19Å; L40-F281 HydrophobicContact CB-CG 4.48Å; L40-F281 HydrophobicContact CB-CZ 3.89Å; L40-F281 HydrophobicContact CD1-CB 4.23Å; L40-F281 HydrophobicContact CD1-CD1 3.74Å; L40-F281 HydrophobicContact CD1-CE1 4.23Å; L40-F281 HydrophobicContact CD1-CG 3.98Å; L40-L283 HydrophobicContact CD1-CD2 3.81Å; L40-L283 HydrophobicContact CD2-CD2 3.94Å; L40-M296 HydrophobicContact CD2-CE 3.79Å
41	A	96.1	Very high	96.1	Very high	27 Å²	27	50.4 Å²	50.4	22%	0.223	28%	0.282	C	S	.	.	H	α-helix	trans	-66	-26.7	179.7	0	0	0	0	0	112.6	C37 T38 S44 F47	C37-A41 WeakPolarHBondContact O-CB 3.4Å; C37-A41 PolarHBondContact O-N 3.28Å; T38-A41 PolarHBondContact O-N 3.22Å; A41-S44 CarbonylContact O-C 3.55Å; A41-S44 VanDerWaalsContact O-O 3.12Å; A41-F47 HydrophobicContact CB-CB 4.3Å
42	A	95.2	Very high	96.2	Very high	87 Å²	87	49.3 Å²	49.3	72%	0.719	27%	0.274	S	S	*	.	H	α-helix	trans	-74.6	-34.9	170.6	0	0	0	0	0	112.3	T38 D39 L40	T38-A42 PolarHBondContact O-N 3.33Å; D39-A42 PolarHBondContact O-N 3.28Å; L40-A42 PolarHBondContact O-N 3.26Å
43	A	94.8	Very high	96.1	Very high	51 Å²	51	50.4 Å²	50.4	42%	0.421	28%	0.279	S	S	.	.	H	α-helix	trans	-79.3	-23.1	176.6	0	0	0	0	0	113.6	D39 L40 F281	D39-A43 WeakPolarHBondContact O-CB 3.44Å; D39-A43 PolarHBondContact O-N 2.03Å; L40-A43 CarbonylContact O-C 3.56Å; L40-A43 PolarHBondContact O-N 3.22Å; L40-A43 VanDerWaalsContact O-N 3.07Å; A43-F281 HydrophobicContact CB-CB 4.03Å; A43-F281 HydrophobicContact CB-CD2 4.13Å; A43-F281 HydrophobicContact CB-CG 4.46Å
44	S	94.3	Very high	95.8	Very high	24 Å²	24	52.5 Å²	52.5	17%	0.168	29%	0.291	C	S	.	.			trans	-145.2	112.9	-179.8	178.9	0	0	0	0	111.1	L40 A41 A46 F47	L40-S44 PolarHBondContact O-N 3.21Å; A41-S44 CarbonylContact O-C 3.55Å; A41-S44 VanDerWaalsContact O-O 3.12Å; S44-A46 PolarHBondContact O-N 2.87Å; S44-F47 PolarHBondContact O-N 2.81Å
45	E	92.1	Very high	95.7	Very high	159 Å²	159	50.3 Å²	50.3	74%	0.743	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-11.3	-179.2	-62.2	-171.1	168.1	0	0	113.9	K23 F47	K23-E45 VanDerWaalsContact CD-O 3.28Å; K23-E45 WeakPolarHBondContact CD-O 3.42Å; K23-E45 WeakPolarHBondContact CE-O 3.48Å; K23-E45 PolarHBondContact NZ-O 3.03Å; E45-F47 PolarHBondContact O-N 3.37Å
46	A	95.1	Very high	95.6	Very high	30 Å²	30	46.4 Å²	46.4	25%	0.248	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.5	176.6	0	0	0	0	0	113.2	K23 V24 S44	K23-A46 CarbonylContact C-O 3.2Å; K23-A46 VanDerWaalsContact CA-O 3.3Å; K23-A46 WeakPolarHBondContact CA-O 3.44Å; V24-A46 PolarHBondContact N-O 3.34Å; S44-A46 PolarHBondContact O-N 2.87Å
47	F	96.9	Very high	95.6	Very high	3 Å²	3	49.8 Å²	49.8	1%	0.013	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	152.4	-176.1	-65.7	-84.7	0	0	0	113.7	V24 W26 L40 A41 S44 E45 S274 L275 V278	V24-F47 HydrophobicContact CB-CD1 4Å; V24-F47 HydrophobicContact CB-CE1 4.12Å; V24-F47 HydrophobicContact CG1-CD1 4.23Å; V24-F47 HydrophobicContact CG1-CE1 4.18Å; V24-F47 WeakPolarHBondContact O-CA 3.05Å; W26-F47 HydrophobicContact CE3-CD1 4.41Å; W26-F47 HydrophobicContact CE3-CE1 4.07Å; W26-F47 HydrophobicContact CZ3-CE1 4.49Å; L40-F47 HydrophobicContact CD1-CD2 4.27Å; L40-F47 HydrophobicContact CD1-CE2 4.42Å; L40-F47 HydrophobicContact CD2-CD1 4.22Å; L40-F47 HydrophobicContact CD2-CD2 4.1Å; L40-F47 HydrophobicContact CD2-CE1 4.47Å; L40-F47 HydrophobicContact CD2-CE2 4.36Å; L40-F47 HydrophobicContact CD2-CG 4.03Å; L40-F47 HydrophobicContact CG-CB 4.49Å; L40-F47 HydrophobicContact CG-CD2 4.02Å; L40-F47 HydrophobicContact CG-CG 4.22Å; A41-F47 HydrophobicContact CB-CB 4.3Å; S44-F47 PolarHBondContact O-N 2.81Å; E45-F47 PolarHBondContact O-N 3.37Å; F47-S274 WeakPolarHBondContact CE2-O 3.28Å; F47-L275 HydrophobicContact CE1-CD2 4.08Å; F47-L275 HydrophobicContact CE1-CG 4.38Å; F47-L275 HydrophobicContact CZ-CD2 3.8Å; F47-L275 HydrophobicContact CZ-CG 4.05Å; F47-V278 HydrophobicContact CE2-CG2 3.77Å; F47-V278 HydrophobicContact CZ-CG2 4.4Å
48	S	97.6	Very high	95.6	Very high	37 Å²	37	49.8 Å²	49.8	26%	0.259	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	157.8	164.2	56.8	0	0	0	0	109.1	V24 R25 W26	V24-S48 PolarHBondContact O-N 2.95Å; V24-S48 PolarHBondContact O-OG 3.49Å; R25-S48 CarbonylContact C-O 3.54Å; R25-S48 WeakPolarHBondContact CA-O 3.5Å; R25-S48 VanDerWaalsContact CG-OG 3.28Å; R25-S48 WeakPolarHBondContact CG-OG 3.35Å; W26-S48 PolarHBondContact N-O 2.81Å
49	C	98.2	Very high	95.6	Very high	38 Å²	38	46.3 Å²	46.3	26%	0.257	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	131.2	-168.7	-55.2	0	0	0	0	111.9	W26 L34 C37 T38	W26-C49 WeakPolarHBondContact O-CA 3.44Å; L34-C49 HydrophobicContact CD1-CB 3.77Å; C37-C49 HydrophobicContact CB-CB 3.93Å; C37-C49 WeakPolarHBondContact CB-SG 3.47Å; C37-C49 PolarHBondContact O-SG 3.42Å; C37-C49 WeakPolarHBondContact SG-CB 3.38Å; C37-C49 CovalentContact SG-SG 2.04Å; C37-C49 PolarHBondContact SG-SG 3.2Å; T38-C49 PolarHBondContact N-SG 3.18Å
50	V	98.3	Very high	95.7	Very high	30 Å²	30	46.6 Å²	46.6	18%	0.182	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	111.5	176.2	-179.2	0	0	0	0	108.7	R25 W26 C27 V28 A67	R25-V50 HydrophobicContact CB-CG2 3.98Å; W26-V50 PolarHBondContact O-N 3.24Å; C27-V50 CarbonylContact C-O 3.59Å; C27-V50 VanDerWaalsContact CA-O 3.29Å; C27-V50 WeakPolarHBondContact CA-O 3.36Å; C27-V50 PolarHBondContact SG-O 2.88Å; V28-V50 PolarHBondContact N-O 2.78Å; V50-A67 HydrophobicContact CB-CB 4.15Å; V50-A67 HydrophobicContact CG1-CB 4.28Å; V50-A67 HydrophobicContact CG2-CB 4.23Å
51	R	97	Very high	95.7	Very high	85 Å²	85	46.5 Å²	46.5	32%	0.321	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	133.7	175.9	176.8	-90.7	-174.9	66.5	3.8	110.9	V28 D31 L34 E53	V28-R51 HydrophobicContact CG2-CB 4.11Å; V28-R51 WeakPolarHBondContact O-CA 3.17Å; D31-R51 IonicContact OD1-CZ 2.73Å; D31-R51 IonicContact OD1-NH1 3.83Å; D31-R51 PolarHBondContact OD1-NH1 2.92Å; D31-R51 IonicContact OD1-NH2 2.75Å; L34-R51 HydrophobicContact CD1-CB 4.28Å; L34-R51 HydrophobicContact CD2-CB 4.05Å; L34-R51 HydrophobicContact CD2-CG 4.38Å; R51-E53 IonicContact CZ-OE1 2.69Å; R51-E53 IonicContact NE-OE1 3.4Å; R51-E53 PolarHBondContact NE-OE1 2.83Å; R51-E53 IonicContact NH2-OE1 2.63Å; R51-E53 PolarHBondContact NH2-OE1 2.84Å; R51-E53 IonicContact NH2-OE2 3.94Å
52	K	95.9	Very high	95.9	Very high	48 Å²	48	45.2 Å²	45.2	21%	0.209	25%	0.254	C	S	.	.			trans	-129.9	171.6	167.4	-62.5	-67.2	175.5	161.5	0	109.7	V28 K29 E57 A61 E66	V28-K52 PolarHBondContact O-N 3.29Å; K29-K52 WeakPolarHBondContact CA-O 3.28Å; K52-E57 HydrophobicContact CB-CB 3.68Å; K52-E57 HydrophobicContact CD-CB 4.31Å; K52-E57 HydrophobicContact CG-CB 4.15Å; K52-A61 HydrophobicContact CD-CB 4.4Å; K52-A61 HydrophobicContact CG-CB 4.35Å; K52-E66 IonicContact NZ-OE2 2.67Å; K52-E66 PolarHBondContact NZ-OE2 3.49Å
53	E	89.7	Confident	96	Very high	73 Å²	73	45.4 Å²	45.4	34%	0.341	24%	0.238	S	C	.	.	S	Bend	trans	-82.1	-21.1	-175.6	-68.7	-59.2	121.6	0	0	113.8	R51 E57 R195	R51-E53 IonicContact CZ-OE1 2.69Å; R51-E53 IonicContact NE-OE1 3.4Å; R51-E53 PolarHBondContact NE-OE1 2.83Å; R51-E53 IonicContact NH2-OE1 2.63Å; R51-E53 PolarHBondContact NH2-OE1 2.84Å; R51-E53 IonicContact NH2-OE2 3.94Å; E53-E57 WeakPolarHBondContact CB-OE2 3.36Å; E53-E57 PolarHBondContact N-OE2 3.39Å; E53-R195 IonicContact OE2-CZ 3.22Å; E53-R195 IonicContact OE2-NH1 2.79Å; E53-R195 PolarHBondContact OE2-NH1 3.09Å; E53-R195 VanDerWaalsContact OE2-NH1 3.12Å; E53-R195 IonicContact OE2-NH2 2.81Å
54	N	90.6	Very high	96.1	Very high	53 Å²	53	45.6 Å²	45.6	28%	0.283	24%	0.24	S	C	.	.	S	Bend	trans	-161.3	173.1	-177.7	58.1	67.9	0	0	0	111.9	L56 E57 C58	N54-L56 VanDerWaalsContact C-N 3.3Å; N54-L56 PolarHBondContact O-N 2.59Å; N54-L56 WeakPolarHBondContact OD1-CA 3.3Å; N54-L56 WeakPolarHBondContact OD1-CB 3.39Å; N54-L56 PolarHBondContact OD1-N 3.47Å; N54-E57 PolarHBondContact O-N 3.05Å; N54-E57 PolarHBondContact OD1-N 2.82Å; N54-C58 PolarHBondContact O-N 3.19Å
55	T	94.4	Very high	96.2	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.018	25%	0.252	C	S	.	.	H	α-helix	trans	-58.3	-39	179.6	-49.2	0	0	0	0	112.8	C58 I59 I70 V72 D76	T55-C58 WeakPolarHBondContact O-CB 3.43Å; T55-C58 PolarHBondContact O-N 3.03Å; T55-I59 HydrophobicContact CG2-CD1 4.21Å; T55-I59 WeakPolarHBondContact O-CG1 3.12Å; T55-I59 PolarHBondContact O-N 2.74Å; T55-I70 HydrophobicContact CG2-CD1 4.42Å; T55-V72 HydrophobicContact CG2-CG1 3.69Å; T55-D76 HydrophobicContact CG2-CB 4.02Å
56	L	94.7	Very high	96.5	Very high	74 Å²	74	44.5 Å²	44.5	39%	0.387	24%	0.239	S	C	.	.	H	α-helix	trans	-65.6	-41.8	-177.9	-176.2	62.8	0	0	0	111.6	N54 C58 I59 I60 T79 Y85	N54-L56 VanDerWaalsContact C-N 3.3Å; N54-L56 PolarHBondContact O-N 2.59Å; N54-L56 WeakPolarHBondContact OD1-CA 3.3Å; N54-L56 WeakPolarHBondContact OD1-CB 3.39Å; N54-L56 PolarHBondContact OD1-N 3.47Å; L56-C58 VanDerWaalsContact C-N 3.28Å; L56-C58 PolarHBondContact O-N 3.08Å; L56-I59 WeakPolarHBondContact O-CB 3.4Å; L56-I59 PolarHBondContact O-N 2.85Å; L56-I60 HydrophobicContact CG-CD1 4.13Å; L56-I60 WeakPolarHBondContact O-CG1 3.49Å; L56-I60 PolarHBondContact O-N 2.03Å; L56-T79 HydrophobicContact CD1-CG2 4.21Å; L56-Y85 HydrophobicContact CD1-CE1 4.41Å; L56-Y85 HydrophobicContact CD1-CE2 4.27Å; L56-Y85 WeakPolarHBondContact CD1-OH 3.5Å
57	E	96.8	Very high	96.6	Very high	71 Å²	71	43 Å²	43	33%	0.332	23%	0.227	S	C	.	.	H	α-helix	trans	-64.3	-33.2	174.1	-73.5	-178.3	-166.1	0	0	112.5	K52 E53 N54 I60 A61	K52-E57 HydrophobicContact CB-CB 3.68Å; K52-E57 HydrophobicContact CD-CB 4.31Å; K52-E57 HydrophobicContact CG-CB 4.15Å; E53-E57 WeakPolarHBondContact CB-OE2 3.36Å; E53-E57 PolarHBondContact N-OE2 3.39Å; N54-E57 PolarHBondContact O-N 3.05Å; N54-E57 PolarHBondContact OD1-N 2.82Å; E57-I60 PolarHBondContact O-N 2.84Å; E57-A61 VanDerWaalsContact O-CB 3.23Å; E57-A61 WeakPolarHBondContact O-CB 3.48Å; E57-A61 PolarHBondContact O-N 3.29Å
58	C	98.1	Very high	96.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.4	-42.6	171	-82	0	0	0	0	112.4	C27 N54 T55 L56 I60 A61 I62 I70	C27-C58 HydrophobicContact CB-CB 3.67Å; C27-C58 WeakPolarHBondContact CB-SG 3.46Å; C27-C58 WeakPolarHBondContact SG-CA 3.36Å; C27-C58 WeakPolarHBondContact SG-CB 3.33Å; C27-C58 CovalentContact SG-SG 2.03Å; C27-C58 PolarHBondContact SG-SG 3.32Å; N54-C58 PolarHBondContact O-N 3.19Å; T55-C58 WeakPolarHBondContact O-CB 3.43Å; T55-C58 PolarHBondContact O-N 3.03Å; L56-C58 VanDerWaalsContact C-N 3.28Å; L56-C58 PolarHBondContact O-N 3.08Å; C58-I60 VanDerWaalsContact C-N 3.33Å; C58-I60 PolarHBondContact O-N 3.43Å; C58-A61 PolarHBondContact O-N 3.39Å; C58-I62 VanDerWaalsContact O-CG1 3.26Å; C58-I62 WeakPolarHBondContact O-CG1 3.43Å; C58-I62 PolarHBondContact O-N 3.19Å; C58-I70 HydrophobicContact CB-CB 4.49Å; C58-I70 HydrophobicContact CB-CD1 3.44Å; C58-I70 VanDerWaalsContact CB-CD1 3.44Å; C58-I70 HydrophobicContact CB-CG2 4.33Å
59	I	98.4	Very high	96.8	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-58.2	-46.8	173.6	-70.2	166.4	0	0	0	110.3	T55 L56 A61 I62 K63 A80 Y85 L87 I260	T55-I59 HydrophobicContact CG2-CD1 4.21Å; T55-I59 WeakPolarHBondContact O-CG1 3.12Å; T55-I59 PolarHBondContact O-N 2.74Å; L56-I59 WeakPolarHBondContact O-CB 3.4Å; L56-I59 PolarHBondContact O-N 2.85Å; I59-A61 PolarHBondContact O-N 2.98Å; I59-I62 PolarHBondContact O-N 2.93Å; I59-K63 PolarHBondContact O-N 3.33Å; I59-A80 HydrophobicContact CD1-CB 3.91Å; I59-A80 HydrophobicContact CG1-CB 4.09Å; I59-A80 HydrophobicContact CG2-CB 4.24Å; I59-Y85 HydrophobicContact CG2-CD1 3.56Å; I59-Y85 HydrophobicContact CG2-CD2 4.04Å; I59-Y85 HydrophobicContact CG2-CE1 4.12Å; I59-Y85 HydrophobicContact CG2-CG 3.53Å; I59-L87 HydrophobicContact CB-CD1 4.45Å; I59-L87 HydrophobicContact CG2-CD1 3.91Å; I59-I260 HydrophobicContact CG1-CD1 3.91Å
60	I	98.1	Very high	96.8	Very high	83 Å²	83	39.9 Å²	39.9	43%	0.426	21%	0.205	S	C	.	.	H	α-helix	trans	-60.8	-45.3	176.4	-68.7	163.6	0	0	0	110.7	L56 E57 C58 I62 K63 A64 Y85	L56-I60 HydrophobicContact CG-CD1 4.13Å; L56-I60 WeakPolarHBondContact O-CG1 3.49Å; L56-I60 PolarHBondContact O-N 2.03Å; E57-I60 PolarHBondContact O-N 2.84Å; C58-I60 VanDerWaalsContact C-N 3.33Å; C58-I60 PolarHBondContact O-N 3.43Å; I60-I62 VanDerWaalsContact C-N 3.33Å; I60-I62 PolarHBondContact O-N 3.37Å; I60-K63 PolarHBondContact O-N 3.07Å; I60-A64 WeakPolarHBondContact O-CB 3.38Å; I60-A64 PolarHBondContact O-N 3.43Å; I60-Y85 HydrophobicContact CG1-CD1 4.42Å; I60-Y85 HydrophobicContact CG1-CE1 3.71Å
61	A	98.4	Very high	96.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.1	-38.7	179.1	0	0	0	0	0	112.2	K52 E57 C58 I59 A64 S65 E66 A67	K52-A61 HydrophobicContact CD-CB 4.4Å; K52-A61 HydrophobicContact CG-CB 4.35Å; E57-A61 VanDerWaalsContact O-CB 3.23Å; E57-A61 WeakPolarHBondContact O-CB 3.48Å; E57-A61 PolarHBondContact O-N 3.29Å; C58-A61 PolarHBondContact O-N 3.39Å; I59-A61 PolarHBondContact O-N 2.98Å; A61-A64 CarbonylContact O-C 3.48Å; A61-A64 PolarHBondContact O-N 3.34Å; A61-S65 PolarHBondContact O-N 2.89Å; A61-S65 VanDerWaalsContact O-N 3.13Å; A61-E66 HydrophobicContact CB-CB 4.1Å; A61-E66 PolarHBondContact O-N 2.93Å; A61-A67 HydrophobicContact CB-CB 4.13Å; A61-A67 PolarHBondContact O-N 2.84Å
62	I	98.5	Very high	96.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.7	-44.2	175.1	-67	164.5	0	0	0	110.3	C58 I59 I60 A64 S65 A67 I70 L87 R262	C58-I62 VanDerWaalsContact O-CG1 3.26Å; C58-I62 WeakPolarHBondContact O-CG1 3.43Å; C58-I62 PolarHBondContact O-N 3.19Å; I59-I62 PolarHBondContact O-N 2.93Å; I60-I62 VanDerWaalsContact C-N 3.33Å; I60-I62 PolarHBondContact O-N 3.37Å; I62-A64 VanDerWaalsContact C-N 3.31Å; I62-A64 PolarHBondContact O-N 3.48Å; I62-S65 PolarHBondContact O-N 3.23Å; I62-A67 WeakPolarHBondContact CA-O 3.39Å; I62-A67 HydrophobicContact CG1-CB 3.88Å; I62-I70 HydrophobicContact CD1-CB 4.04Å; I62-I70 HydrophobicContact CD1-CG2 3.34Å; I62-L87 HydrophobicContact CB-CD1 3.96Å; I62-L87 HydrophobicContact CG2-CD1 3.77Å; I62-L87 HydrophobicContact CG2-CD2 3.89Å; I62-L87 HydrophobicContact CG2-CG 4.5Å; I62-R262 HydrophobicContact CG2-CG 3.99Å; I62-R262 VanDerWaalsContact O-CD 3.26Å; I62-R262 WeakPolarHBondContact O-CD 3.31Å; I62-R262 WeakPolarHBondContact O-CG 3.22Å; I62-R262 PolarHBondContact O-NH1 2.53Å
63	K	97.3	Very high	96.8	Very high	90 Å²	90	33.3 Å²	33.3	39%	0.391	18%	0.178	S	C	.	.	H	α-helix	trans	-59.4	-42.9	174.3	177.8	51.8	155.8	-156.2	0	112.1	I59 I60 S65 Y85	I59-K63 PolarHBondContact O-N 3.33Å; I60-K63 PolarHBondContact O-N 3.07Å; K63-S65 PolarHBondContact O-N 2.86Å; K63-Y85 WeakPolarHBondContact CD-O 3.07Å; K63-Y85 WeakPolarHBondContact CE-O 2.99Å; K63-Y85 PolarHBondContact NZ-O 2.85Å
64	A	97.4	Very high	97	Very high	56 Å²	56	29.9 Å²	29.9	46%	0.463	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	1.3	177.6	0	0	0	0	0	113.8	I60 A61 I62 E66	I60-A64 WeakPolarHBondContact O-CB 3.38Å; I60-A64 PolarHBondContact O-N 3.43Å; A61-A64 CarbonylContact O-C 3.48Å; A61-A64 PolarHBondContact O-N 3.34Å; I62-A64 VanDerWaalsContact C-N 3.31Å; I62-A64 PolarHBondContact O-N 3.48Å; A64-E66 HydrophobicContact CB-CG 4.1Å; A64-E66 PolarHBondContact O-N 3.02Å
65	S	97	Very high	97.1	Very high	59 Å²	59	27.5 Å²	27.5	41%	0.413	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	28.6	-175.2	-53.8	0	0	0	0	113.7	R25 A61 I62 K63	R25-S65 PolarHBondContact NH1-O 3.24Å; R25-S65 PolarHBondContact NH2-O 3.05Å; A61-S65 PolarHBondContact O-N 2.89Å; A61-S65 VanDerWaalsContact O-N 3.13Å; I62-S65 PolarHBondContact O-N 3.23Å; K63-S65 PolarHBondContact O-N 2.86Å
66	E	97.9	Very high	97.2	Very high	100 Å²	100	27.9 Å²	27.9	47%	0.467	15%	0.152	S	C	.	.	S	Bend	trans	-86.7	-29.5	170.5	-65.1	-179.8	-178.2	0	0	112	R25 K52 A61 A64	R25-E66 PolarHBondContact NH1-O 2.98Å; K52-E66 IonicContact NZ-OE2 2.67Å; K52-E66 PolarHBondContact NZ-OE2 3.49Å; A61-E66 HydrophobicContact CB-CB 4.1Å; A61-E66 PolarHBondContact O-N 2.93Å; A64-E66 HydrophobicContact CB-CG 4.1Å; A64-E66 PolarHBondContact O-N 3.02Å
67	A	98.4	Very high	97.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.134	C	C	.	.			trans	-128.5	170.8	170.6	0	0	0	0	0	109.8	C27 V50 A61 I62 R262	C27-A67 HydrophobicContact CB-CB 3.83Å; V50-A67 HydrophobicContact CB-CB 4.15Å; V50-A67 HydrophobicContact CG1-CB 4.28Å; V50-A67 HydrophobicContact CG2-CB 4.23Å; A61-A67 HydrophobicContact CB-CB 4.13Å; A61-A67 PolarHBondContact O-N 2.84Å; I62-A67 WeakPolarHBondContact CA-O 3.39Å; I62-A67 HydrophobicContact CG1-CB 3.88Å; A67-R262 PolarHBondContact O-NH1 3.37Å
68	D	98.6	Very high	97.2	Very high	7 Å²	7	22.3 Å²	22.3	4%	0.037	12%	0.123	C	C	.	.			trans	-116.2	-36.7	-175.7	-64.4	-41.9	0	0	0	113.6	V24 R25 T261 R262 L267	V24-D68 HydrophobicContact CG1-CB 4.34Å; R25-D68 HydrophobicContact CB-CB 4.39Å; R25-D68 VanDerWaalsContact CB-OD2 3.23Å; R25-D68 WeakPolarHBondContact CB-OD2 3.47Å; R25-D68 WeakPolarHBondContact CG-OD2 3.2Å; R25-D68 IonicContact CZ-OD1 3.78Å; R25-D68 IonicContact CZ-OD2 3.61Å; R25-D68 PolarHBondContact N-OD2 3.32Å; R25-D68 IonicContact NE-OD1 2.7Å; R25-D68 PolarHBondContact NE-OD1 3.49Å; R25-D68 IonicContact NE-OD2 2.79Å; R25-D68 PolarHBondContact NE-OD2 3.41Å; R25-D68 IonicContact NH2-OD1 3.73Å; R25-D68 PolarHBondContact NH2-OD1 2.05Å; R25-D68 IonicContact NH2-OD2 3Å; R25-D68 PolarHBondContact O-N 2.96Å; D68-T261 WeakPolarHBondContact O-CB 3.41Å; D68-T261 PolarHBondContact O-OG1 2.99Å; D68-R262 IonicContact OD1-CZ 3.99Å; D68-R262 IonicContact OD1-NH1 2.75Å; D68-R262 IonicContact OD1-NH2 2.95Å; D68-R262 PolarHBondContact OD1-NH2 2.91Å; D68-L267 HydrophobicContact CB-CD1 4.19Å
69	A	98.6	Very high	97	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-152.3	155.6	-175.4	0	0	0	0	0	112.7	R25 W26 C27 V259 I260 I271	R25-A69 PolarHBondContact O-N 2.77Å; W26-A69 HydrophobicContact CE3-CB 3.92Å; W26-A69 HydrophobicContact CH2-CB 4.36Å; W26-A69 HydrophobicContact CZ3-CB 3.75Å; C27-A69 PolarHBondContact N-O 2.89Å; A69-V259 HydrophobicContact CB-CG1 3.84Å; A69-I260 WeakPolarHBondContact CA-O 3.44Å; A69-I271 HydrophobicContact CB-CD1 3.93Å; A69-I271 HydrophobicContact CB-CG1 4.36Å; A69-I271 HydrophobicContact CB-CG2 4.38Å
70	I	98.4	Very high	96.9	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.026	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	145	169.2	-178.8	167.9	0	0	0	109	C27 T55 C58 I62 V72 V259 I260	C27-I70 HydrophobicContact CB-CB 4.24Å; T55-I70 HydrophobicContact CG2-CD1 4.42Å; C58-I70 HydrophobicContact CB-CB 4.49Å; C58-I70 HydrophobicContact CB-CD1 3.44Å; C58-I70 VanDerWaalsContact CB-CD1 3.44Å; C58-I70 HydrophobicContact CB-CG2 4.33Å; I62-I70 HydrophobicContact CD1-CB 4.04Å; I62-I70 HydrophobicContact CD1-CG2 3.34Å; I70-V72 HydrophobicContact CD1-CG1 4.46Å; I70-V72 HydrophobicContact CG1-CG1 4.14Å; I70-V72 HydrophobicContact CG2-CG1 3.82Å; I70-V259 WeakPolarHBondContact O-CA 3.18Å; I70-I260 HydrophobicContact CG2-CD1 3.92Å; I70-I260 HydrophobicContact CG2-CG1 3.75Å; I70-I260 WeakPolarHBondContact O-CG1 3.36Å; I70-I260 PolarHBondContact O-N 3.47Å
71	T	98.2	Very high	96.7	Very high	17 Å²	17	20.9 Å²	20.9	10%	0.104	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	130.2	168.2	-49.5	0	0	0	0	110.4	W26 H257 A258 M296 F297	W26-T71 WeakPolarHBondContact CZ2-OG1 3.41Å; T71-H257 HydrophobicContact CG2-CB 4.2Å; T71-A258 CarbonylContact C-O 3.51Å; T71-A258 WeakPolarHBondContact CA-O 3.45Å; T71-M296 WeakPolarHBondContact CB-O 3.43Å; T71-M296 PolarHBondContact OG1-O 2.95Å; T71-F297 HydrophobicContact CG2-CD1 4.11Å; T71-F297 HydrophobicContact CG2-CE1 4.43Å; T71-F297 WeakPolarHBondContact OG1-CD1 3.44Å; T71-F297 WeakPolarHBondContact OG1-CE1 3.35Å
72	V	97.3	Very high	96.4	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.024	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	152.7	-174.3	-65.5	0	0	0	0	112.3	T55 I70 D76 V77 H257 A258 I260	T55-V72 HydrophobicContact CG2-CG1 3.69Å; I70-V72 HydrophobicContact CD1-CG1 4.46Å; I70-V72 HydrophobicContact CG1-CG1 4.14Å; I70-V72 HydrophobicContact CG2-CG1 3.82Å; V72-D76 HydrophobicContact CB-CB 3.8Å; V72-D76 HydrophobicContact CG1-CB 4.23Å; V72-D76 HydrophobicContact CG2-CB 4.49Å; V72-V77 HydrophobicContact CG2-CG2 3.63Å; V72-H257 CarbonylContact O-C 3.49Å; V72-H257 VanDerWaalsContact O-CA 3.25Å; V72-H257 WeakPolarHBondContact O-CA 3.39Å; V72-H257 VanDerWaalsContact O-CB 3.27Å; V72-H257 WeakPolarHBondContact O-CB 3.43Å; V72-A258 WeakPolarHBondContact CG2-O 3.14Å; V72-A258 PolarHBondContact N-O 2.92Å; V72-A258 PolarHBondContact O-N 3.25Å; V72-I260 HydrophobicContact CG1-CD1 3.96Å; V72-I260 HydrophobicContact CG1-CG1 4.22Å; V72-I260 HydrophobicContact CG2-CB 4.32Å; V72-I260 HydrophobicContact CG2-CD1 3.86Å; V72-I260 HydrophobicContact CG2-CG1 3.84Å; V72-I260 HydrophobicContact CG2-CG2 3.58Å
73	D	95.8	Very high	95.9	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	17%	0.174	C	C	.	.			trans	-72.9	159.3	171.6	169.9	88	0	0	0	111	G75 D76 V77 Y103 K132 S133 H257	D73-G75 PolarHBondContact O-N 3.35Å; D73-G75 VanDerWaalsContact O-N 3.12Å; D73-G75 PolarHBondContact OD2-N 2.85Å; D73-D76 CarbonylContact O-C 3.5Å; D73-D76 WeakPolarHBondContact O-CA 3.34Å; D73-D76 PolarHBondContact O-N 2.62Å; D73-V77 PolarHBondContact O-N 2.73Å; D73-Y103 PolarHBondContact OD1-OH 3.42Å; D73-K132 VanDerWaalsContact OD2-CA 3.23Å; D73-K132 WeakPolarHBondContact OD2-CA 3.32Å; D73-S133 PolarHBondContact OD2-N 3.4Å; D73-S133 PolarHBondContact OD2-OG 2.96Å; D73-S133 VanDerWaalsContact OD2-OG 3.13Å; D73-H257 IonicContact OD1-CD2 3.49Å; D73-H257 IonicContact OD1-CE1 2.8Å; D73-H257 IonicContact OD1-NE2 3.9Å; D73-H257 PolarHBondContact OD1-NE2 2.78Å
74	G	93.9	Very high	95.6	Very high	1 Å²	1	31 Å²	31	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-56.1	-30.2	-178.2	0	0	0	0	0	114.6	V77 Y78 S133 L317	G74-V77 PolarHBondContact O-N 2.89Å; G74-Y78 PolarHBondContact O-N 3.33Å; G74-Y78 VanDerWaalsContact O-N 3.14Å; G74-S133 WeakPolarHBondContact CA-OG 3.43Å; G74-S133 PolarHBondContact N-OG 3.44Å; G74-L317 WeakPolarHBondContact O-CD2 3.29Å
75	G	93.5	Very high	95.5	Very high	3 Å²	3	30 Å²	30	3%	0.031	16%	0.164	C	C	.	.	H	α-helix	trans	-65.8	-40.1	172.9	0	0	0	0	0	113.1	D73 Y78 T79 G131 S133 Y321	D73-G75 PolarHBondContact O-N 3.35Å; D73-G75 VanDerWaalsContact O-N 3.12Å; D73-G75 PolarHBondContact OD2-N 2.85Å; G75-Y78 WeakPolarHBondContact O-CB 3.42Å; G75-Y78 PolarHBondContact O-N 3.16Å; G75-T79 PolarHBondContact O-N 3.48Å; G75-T79 PolarHBondContact O-OG1 3.48Å; G75-G131 WeakPolarHBondContact CA-O 2.97Å; G75-S133 PolarHBondContact N-OG 3.29Å; G75-Y321 VanDerWaalsContact CA-OH 3.23Å; G75-Y321 WeakPolarHBondContact CA-OH 3.33Å; G75-Y321 PolarHBondContact N-OH 3.09Å
76	D	96.2	Very high	95.4	Very high	11 Å²	11	29.9 Å²	29.9	6%	0.059	16%	0.159	C	C	.	.	H	α-helix	trans	-77.8	-25.9	177.1	-64.2	-46.1	0	0	0	111.3	T55 V72 D73 Y78 T79 A80 R192	T55-D76 HydrophobicContact CG2-CB 4.02Å; V72-D76 HydrophobicContact CB-CB 3.8Å; V72-D76 HydrophobicContact CG1-CB 4.23Å; V72-D76 HydrophobicContact CG2-CB 4.49Å; D73-D76 CarbonylContact O-C 3.5Å; D73-D76 WeakPolarHBondContact O-CA 3.34Å; D73-D76 PolarHBondContact O-N 2.62Å; D76-Y78 VanDerWaalsContact C-N 3.33Å; D76-T79 PolarHBondContact O-N 2.8Å; D76-A80 WeakPolarHBondContact O-CB 3.49Å; D76-A80 PolarHBondContact O-N 3.42Å; D76-R192 VanDerWaalsContact CG-NH2 3.31Å; D76-R192 IonicContact OD1-CZ 3.42Å; D76-R192 IonicContact OD1-NH1 3.7Å; D76-R192 PolarHBondContact OD1-NH1 3.09Å; D76-R192 IonicContact OD1-NH2 2.72Å; D76-R192 PolarHBondContact OD1-NH2 3.07Å; D76-R192 IonicContact OD2-CZ 3.47Å; D76-R192 IonicContact OD2-NH2 3.66Å; D76-R192 PolarHBondContact OD2-NH2 2.83Å
77	V	96.8	Very high	95.3	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-59.7	-44.1	167.3	174.2	0	0	0	0	110.6	V72 D73 G74 A80 G81 P89 A258 I260 S313 Y316 L317	V72-V77 HydrophobicContact CG2-CG2 3.63Å; D73-V77 PolarHBondContact O-N 2.73Å; G74-V77 PolarHBondContact O-N 2.89Å; V77-A80 PolarHBondContact O-N 3.2Å; V77-G81 PolarHBondContact O-N 2.93Å; V77-G81 VanDerWaalsContact O-N 3.1Å; V77-P89 HydrophobicContact CG1-CG 4.36Å; V77-A258 HydrophobicContact CG2-CB 4.04Å; V77-I260 HydrophobicContact CG2-CG2 4.31Å; V77-S313 WeakPolarHBondContact O-CB 3.32Å; V77-Y316 HydrophobicContact CG1-CD1 4.02Å; V77-Y316 HydrophobicContact CG2-CE1 4.48Å; V77-L317 HydrophobicContact CB-CD1 4.4Å; V77-L317 HydrophobicContact CB-CD2 4.27Å; V77-L317 HydrophobicContact CB-CG 4.49Å; V77-L317 HydrophobicContact CG1-CD1 4.2Å; V77-L317 HydrophobicContact CG1-CD2 4.33Å; V77-L317 HydrophobicContact CG1-CG 4.12Å
78	Y	93.8	Very high	95.2	Very high	26 Å²	26	26.5 Å²	26.5	10%	0.102	14%	0.143	C	C	.	.	H	α-helix	trans	-60.1	-50.3	176	175.2	-93.3	0	0	0	110.5	G74 G75 D76 A80 G81 L82 L317 V322 I325 R329	G74-Y78 PolarHBondContact O-N 3.33Å; G74-Y78 VanDerWaalsContact O-N 3.14Å; G75-Y78 WeakPolarHBondContact O-CB 3.42Å; G75-Y78 PolarHBondContact O-N 3.16Å; D76-Y78 VanDerWaalsContact C-N 3.33Å; Y78-A80 PolarHBondContact O-N 3.49Å; Y78-G81 PolarHBondContact O-N 3.04Å; Y78-L82 HydrophobicContact CE1-CD2 4.06Å; Y78-L82 PolarHBondContact O-N 3.5Å; Y78-L317 HydrophobicContact CD2-CD1 4.35Å; Y78-L317 HydrophobicContact CG-CD1 4.45Å; Y78-V322 HydrophobicContact CE2-CG1 4.49Å; Y78-I325 HydrophobicContact CD1-CG2 3.98Å; Y78-I325 HydrophobicContact CD2-CG2 4.33Å; Y78-I325 HydrophobicContact CE1-CG2 3.64Å; Y78-I325 HydrophobicContact CE2-CG2 4.01Å; Y78-I325 HydrophobicContact CG-CG2 4.31Å; Y78-R329 PolarHBondContact OH-NH1 2.82Å
79	T	93.9	Very high	95.2	Very high	39 Å²	39	26.3 Å²	26.3	24%	0.239	14%	0.142	C	C	.	.	H	α-helix	trans	-58.4	-47.4	177.5	-60.3	0	0	0	0	111.6	L56 G75 D76 G81 L82 Y85	L56-T79 HydrophobicContact CD1-CG2 4.21Å; G75-T79 PolarHBondContact O-N 3.48Å; G75-T79 PolarHBondContact O-OG1 3.48Å; D76-T79 PolarHBondContact O-N 2.8Å; T79-G81 PolarHBondContact O-N 3.49Å; T79-L82 HydrophobicContact CG2-CD1 4.49Å; T79-L82 WeakPolarHBondContact O-CB 3.28Å; T79-L82 WeakPolarHBondContact O-CG 3.06Å; T79-L82 PolarHBondContact O-N 2.98Å; T79-L82 VanDerWaalsContact O-N 3.1Å; T79-Y85 HydrophobicContact CG2-CD2 4.47Å; T79-Y85 HydrophobicContact CG2-CE2 3.98Å; T79-Y85 WeakPolarHBondContact O-CD2 3.29Å
80	A	96.7	Very high	95.1	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.1	-25.9	-177.8	0	0	0	0	0	113.6	I59 D76 V77 Y78 Y85 D86 L87 I260	I59-A80 HydrophobicContact CD1-CB 3.91Å; I59-A80 HydrophobicContact CG1-CB 4.09Å; I59-A80 HydrophobicContact CG2-CB 4.24Å; D76-A80 WeakPolarHBondContact O-CB 3.49Å; D76-A80 PolarHBondContact O-N 3.42Å; V77-A80 PolarHBondContact O-N 3.2Å; Y78-A80 PolarHBondContact O-N 3.49Å; A80-Y85 VanDerWaalsContact O-CB 3.27Å; A80-Y85 WeakPolarHBondContact O-CB 3.14Å; A80-D86 PolarHBondContact O-N 3.5Å; A80-L87 HydrophobicContact CB-CB 4.14Å; A80-L87 HydrophobicContact CB-CD1 4.41Å; A80-L87 WeakPolarHBondContact O-CB 3.47Å; A80-L87 PolarHBondContact O-N 2.93Å; A80-I260 HydrophobicContact CB-CD1 3.42Å; A80-I260 VanDerWaalsContact CB-CD1 3.42Å
81	G	94.6	Very high	95	Very high	15 Å²	15	26.9 Å²	26.9	16%	0.155	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-2.8	175.8	0	0	0	0	0	115.3	V77 Y78 T79 L87	V77-G81 PolarHBondContact O-N 2.93Å; V77-G81 VanDerWaalsContact O-N 3.1Å; Y78-G81 PolarHBondContact O-N 3.04Å; T79-G81 PolarHBondContact O-N 3.49Å; G81-L87 WeakPolarHBondContact CA-O 3.5Å
82	L	91.3	Very high	94.9	Very high	51 Å²	51	26 Å²	26	27%	0.267	14%	0.14	S	C	.	.	S	Bend	trans	-61.7	149.2	173.2	-64.6	175.1	0	0	0	110.5	Y78 T79 N84 Y85 D86	Y78-L82 HydrophobicContact CE1-CD2 4.06Å; Y78-L82 PolarHBondContact O-N 3.5Å; T79-L82 HydrophobicContact CG2-CD1 4.49Å; T79-L82 WeakPolarHBondContact O-CB 3.28Å; T79-L82 WeakPolarHBondContact O-CG 3.06Å; T79-L82 PolarHBondContact O-N 2.98Å; T79-L82 VanDerWaalsContact O-N 3.1Å; L82-N84 WeakPolarHBondContact CB-OD1 3.02Å; L82-N84 PolarHBondContact O-N 3.48Å; L82-Y85 HydrophobicContact CB-CD2 4.3Å; L82-Y85 PolarHBondContact O-N 3.14Å; L82-D86 PolarHBondContact O-N 2.65Å
83	N	88.1	Confident	94.8	Very high	158 Å²	158	25.9 Å²	25.9	85%	0.845	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-28.6	-172.3	-67.5	-18.9	0	0	0	114.7	Y85	N83-Y85 VanDerWaalsContact C-N 3.32Å
84	N	90.4	Very high	94.7	Very high	94 Å²	94	26.5 Å²	26.5	50%	0.503	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-23.4	177.8	59.2	-37	0	0	0	113.5	L82	L82-N84 WeakPolarHBondContact CB-OD1 3.02Å; L82-N84 PolarHBondContact O-N 3.48Å
85	Y	95.6	Very high	94.5	Very high	36 Å²	36	26.7 Å²	26.7	14%	0.141	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-44.7	178.1	-52.8	-63.2	0	0	0	111.5	L56 I59 I60 K63 T79 A80 L82 N83 L87	L56-Y85 HydrophobicContact CD1-CE1 4.41Å; L56-Y85 HydrophobicContact CD1-CE2 4.27Å; L56-Y85 WeakPolarHBondContact CD1-OH 3.5Å; I59-Y85 HydrophobicContact CG2-CD1 3.56Å; I59-Y85 HydrophobicContact CG2-CD2 4.04Å; I59-Y85 HydrophobicContact CG2-CE1 4.12Å; I59-Y85 HydrophobicContact CG2-CG 3.53Å; I60-Y85 HydrophobicContact CG1-CD1 4.42Å; I60-Y85 HydrophobicContact CG1-CE1 3.71Å; K63-Y85 WeakPolarHBondContact CD-O 3.07Å; K63-Y85 WeakPolarHBondContact CE-O 2.99Å; K63-Y85 PolarHBondContact NZ-O 2.85Å; T79-Y85 HydrophobicContact CG2-CD2 4.47Å; T79-Y85 HydrophobicContact CG2-CE2 3.98Å; T79-Y85 WeakPolarHBondContact O-CD2 3.29Å; A80-Y85 VanDerWaalsContact O-CB 3.27Å; A80-Y85 WeakPolarHBondContact O-CB 3.14Å; L82-Y85 HydrophobicContact CB-CD2 4.3Å; L82-Y85 PolarHBondContact O-N 3.14Å; N83-Y85 VanDerWaalsContact C-N 3.32Å; Y85-L87 VanDerWaalsContact C-N 3.26Å; Y85-L87 PolarHBondContact O-N 3.31Å
86	D	94.8	Very high	93.9	Very high	55 Å²	55	26.9 Å²	26.9	29%	0.294	15%	0.145	S	C	.	.			trans	53.4	40.4	177.4	-161.2	45	0	0	0	113.6	A80 L82 K263	A80-D86 PolarHBondContact O-N 3.5Å; L82-D86 PolarHBondContact O-N 2.65Å; D86-K263 WeakPolarHBondContact OD1-CE 3.11Å; D86-K263 IonicContact OD1-NZ 2.76Å; D86-K263 PolarHBondContact OD1-NZ 3.12Å; D86-K263 WeakPolarHBondContact OD2-CE 3.24Å; D86-K263 IonicContact OD2-NZ 3.51Å; D86-K263 PolarHBondContact OD2-NZ 3.24Å
87	L	97.3	Very high	92.2	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	160.9	173.6	-52.2	-173.7	0	0	0	110.2	I59 I62 A80 G81 Y85 I260 T261 R262	I59-L87 HydrophobicContact CB-CD1 4.45Å; I59-L87 HydrophobicContact CG2-CD1 3.91Å; I62-L87 HydrophobicContact CB-CD1 3.96Å; I62-L87 HydrophobicContact CG2-CD1 3.77Å; I62-L87 HydrophobicContact CG2-CD2 3.89Å; I62-L87 HydrophobicContact CG2-CG 4.5Å; A80-L87 HydrophobicContact CB-CB 4.14Å; A80-L87 HydrophobicContact CB-CD1 4.41Å; A80-L87 WeakPolarHBondContact O-CB 3.47Å; A80-L87 PolarHBondContact O-N 2.93Å; G81-L87 WeakPolarHBondContact CA-O 3.5Å; Y85-L87 VanDerWaalsContact C-N 3.26Å; Y85-L87 PolarHBondContact O-N 3.31Å; L87-I260 HydrophobicContact CD1-CD1 4.11Å; L87-T261 WeakPolarHBondContact CA-O 3.03Å; L87-T261 WeakPolarHBondContact CB-O 3.33Å; L87-R262 HydrophobicContact CD2-CG 3.92Å
88	H	96.1	Very high	90.3	Very high	26 Å²	26	39.6 Å²	39.6	12%	0.12	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	153.6	-179.8	71.4	99.1	0	0	0	112	I90 I260 T261 R262 K263	H88-I90 WeakPolarHBondContact CE1-CG2 3.46Å; H88-I260 VanDerWaalsContact O-CA 3.28Å; H88-I260 WeakPolarHBondContact O-CA 3.41Å; H88-T261 PolarHBondContact N-O 2.96Å; H88-T261 PolarHBondContact O-N 2.8Å; H88-R262 PolarHBondContact NE2-O 3.4Å; H88-K263 VanDerWaalsContact CD2-CG 3.45Å; H88-K263 WeakPolarHBondContact CD2-CG 3.24Å; H88-K263 WeakPolarHBondContact NE2-CA 3.48Å
89	P	97.2	Very high	88.6	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.013	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	143	173.3	29.4	-31.4	0	0	0	110.6	V77 A258 V259 I260 Y316	V77-P89 HydrophobicContact CG1-CG 4.36Å; P89-A258 HydrophobicContact CB-CB 3.75Å; P89-V259 WeakPolarHBondContact CA-O 3.28Å; P89-I260 HydrophobicContact CB-CG2 4.38Å; P89-Y316 HydrophobicContact CB-CD2 3.82Å; P89-Y316 HydrophobicContact CB-CE2 4.16Å; P89-Y316 HydrophobicContact CB-CG 4.04Å; P89-Y316 VanDerWaalsContact CG-CB 3.5Å; P89-Y316 HydrophobicContact CG-CD1 4.28Å; P89-Y316 HydrophobicContact CG-CD2 3.61Å; P89-Y316 HydrophobicContact CG-CE2 4.44Å; P89-Y316 HydrophobicContact CG-CG 3.53Å
90	I	97.1	Very high	87.6	Confident	15 Å²	15	40 Å²	40	8%	0.077	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	-22.3	178	50.9	156.9	0	0	0	113.1	H88 V259 T261 A268 I271 V307	H88-I90 WeakPolarHBondContact CE1-CG2 3.46Å; I90-V259 HydrophobicContact CD1-CG1 4.32Å; I90-V259 HydrophobicContact CG1-CB 4.35Å; I90-V259 HydrophobicContact CG1-CG1 4.3Å; I90-V259 WeakPolarHBondContact CG1-O 3.39Å; I90-V259 PolarHBondContact N-O 3.11Å; I90-T261 HydrophobicContact CB-CG2 4.37Å; I90-T261 HydrophobicContact CD1-CG2 3.59Å; I90-T261 HydrophobicContact CG1-CG2 3.87Å; I90-T261 HydrophobicContact CG2-CG2 3.62Å; I90-A268 HydrophobicContact CB-CB 4.4Å; I90-A268 HydrophobicContact CD1-CB 4.32Å; I90-A268 HydrophobicContact CG2-CB 3.8Å; I90-I271 HydrophobicContact CD1-CB 3.9Å; I90-I271 HydrophobicContact CD1-CD1 3.76Å; I90-I271 HydrophobicContact CD1-CG1 4.46Å; I90-I271 HydrophobicContact CD1-CG2 3.76Å; I90-V307 PolarHBondContact O-N 3.42Å
91	I	97.3	Very high	87	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	128.5	-177.6	-56.2	168.9	0	0	0	107.5	A258 V259 I271 W272 L275 L304 V305	I91-A258 CarbonylContact O-C 3.59Å; I91-A258 WeakPolarHBondContact O-CA 3.39Å; I91-V259 HydrophobicContact CB-CB 3.95Å; I91-V259 HydrophobicContact CB-CG2 3.95Å; I91-V259 HydrophobicContact CD1-CB 4.46Å; I91-V259 HydrophobicContact CD1-CG2 4.45Å; I91-V259 HydrophobicContact CG2-CG2 4.35Å; I91-V259 PolarHBondContact O-N 3.3Å; I91-I271 HydrophobicContact CD1-CG2 3.96Å; I91-W272 HydrophobicContact CD1-CB 4.34Å; I91-W272 HydrophobicContact CD1-CE3 3.88Å; I91-W272 HydrophobicContact CG1-CE3 3.96Å; I91-W272 HydrophobicContact CG2-CE3 4.37Å; I91-W272 HydrophobicContact CG2-CZ3 4.23Å; I91-L275 HydrophobicContact CD1-CD1 3.58Å; I91-L304 HydrophobicContact CG2-CB 3.62Å; I91-L304 HydrophobicContact CG2-CD1 4.24Å; I91-L304 HydrophobicContact CG2-CD2 4.04Å; I91-L304 HydrophobicContact CG2-CG 4.16Å; I91-V305 CarbonylContact C-O 3.28Å; I91-V305 WeakPolarHBondContact CA-O 3.41Å
92	A	96.3	Very high	86.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	145.9	172.7	0	0	0	0	0	110.4	T101 V305 V307 Y316 F685	A92-T101 HydrophobicContact CB-CG2 4.13Å; A92-V305 PolarHBondContact N-O 3.04Å; A92-V305 PolarHBondContact O-N 2.78Å; A92-V307 HydrophobicContact CB-CG2 4.18Å; A92-Y316 HydrophobicContact CB-CE2 4.06Å; A92-Y316 WeakPolarHBondContact CB-OH 3.32Å; A92-F685 HydrophobicContact CB-CE1 3.78Å; A92-F685 HydrophobicContact CB-CZ 3.82Å
93	E	95.4	Very high	86.8	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	144.3	162.7	-64.3	-171.4	140.4	0	0	110.5	Y95 A256 H257 F297 K298 T301 L304	E93-Y95 HydrophobicContact CB-CE1 3.71Å; E93-Y95 VanDerWaalsContact OE2-CE1 3.28Å; E93-Y95 WeakPolarHBondContact OE2-CE1 3.48Å; E93-Y95 PolarHBondContact OE2-OH 3.16Å; E93-A256 HydrophobicContact CB-CB 4.34Å; E93-A256 WeakPolarHBondContact O-CB 3.24Å; E93-H257 HydrophobicContact CG-CB 4.4Å; E93-H257 PolarHBondContact N-O 2.88Å; E93-H257 WeakPolarHBondContact OE2-CB 3.49Å; E93-H257 IonicContact OE2-CG 3.72Å; E93-F297 WeakPolarHBondContact OE1-CA 3.37Å; E93-F297 WeakPolarHBondContact OE1-CB 3.34Å; E93-K298 PolarHBondContact OE1-N 2.92Å; E93-K298 WeakPolarHBondContact OE2-CB 3.44Å; E93-K298 WeakPolarHBondContact OE2-CG 3.2Å; E93-T301 HydrophobicContact CB-CG2 3.99Å; E93-T301 HydrophobicContact CG-CG2 4.03Å; E93-T301 PolarHBondContact OE1-OG1 2.04Å; E93-T301 PolarHBondContact OE2-OG1 2.89Å; E93-L304 HydrophobicContact CG-CD2 4.27Å
94	D	92.9	Very high	87.1	Confident	16 Å²	16	31 Å²	31	9%	0.086	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.2	171.8	-179.8	-41	0	0	0	108.7	G96 T101 Q302 K303 V305	D94-G96 WeakPolarHBondContact OD1-CA 3.32Å; D94-G96 PolarHBondContact OD1-N 2.86Å; D94-T101 HydrophobicContact CB-CG2 4.36Å; D94-Q302 PolarHBondContact O-N 2.75Å; D94-K303 HydrophobicContact CB-CG 3.71Å; D94-K303 PolarHBondContact N-O 3.09Å; D94-K303 PolarHBondContact O-N 3.31Å; D94-K303 WeakPolarHBondContact OD2-CE 3.35Å; D94-K303 IonicContact OD2-NZ 3.74Å; D94-K303 PolarHBondContact OD2-NZ 2.9Å; D94-V305 HydrophobicContact CB-CG2 3.83Å
95	Y	89.1	Confident	87.3	Confident	6 Å²	6	26.6 Å²	26.6	2%	0.024	14%	0.135	C	C	.	.			trans	-100.1	8.5	-173.5	-50.2	-55.9	0	0	0	113.5	E93 D100 C102 Y103 L221 A256 H257 K298 S300 Q302	E93-Y95 HydrophobicContact CB-CE1 3.71Å; E93-Y95 VanDerWaalsContact OE2-CE1 3.28Å; E93-Y95 WeakPolarHBondContact OE2-CE1 3.48Å; E93-Y95 PolarHBondContact OE2-OH 3.16Å; Y95-D100 PolarHBondContact N-O 3.4Å; Y95-C102 WeakPolarHBondContact CD2-O 3.06Å; Y95-Y103 AromaticContact CE2-CD1 3.87Å; Y95-Y103 HydrophobicContact CE2-CD1 3.87Å; Y95-Y103 HydrophobicContact CE2-CG 4.39Å; Y95-L221 HydrophobicContact CG-CD1 4.26Å; Y95-A256 HydrophobicContact CD2-CB 4.4Å; Y95-A256 HydrophobicContact CE2-CB 3.55Å; Y95-H257 PolarHBondContact OH-N 3.12Å; Y95-K298 HydrophobicContact CE1-CB 4.09Å; Y95-K298 HydrophobicContact CE1-CG 4.44Å; Y95-S300 WeakPolarHBondContact CD1-OG 3.43Å; Y95-Q302 PolarHBondContact O-NE2 2.98Å; Y95-Q302 VanDerWaalsContact O-NE2 3.08Å
96	G	80.4	Confident	87.4	Confident	7 Å²	7	25 Å²	25	7%	0.072	13%	0.129	C	C	.	.			trans	101.8	-173.7	174.1	0	0	0	0	0	116.1	D94 T98 S99 D100 Q302	D94-G96 WeakPolarHBondContact OD1-CA 3.32Å; D94-G96 PolarHBondContact OD1-N 2.86Å; G96-T98 PolarHBondContact O-N 3.14Å; G96-S99 PolarHBondContact O-N 3.31Å; G96-D100 PolarHBondContact O-N 2.85Å; G96-D100 VanDerWaalsContact O-N 3.11Å; G96-Q302 VanDerWaalsContact CA-OE1 3.29Å
97	E	62.2	Low	87.6	Confident	199 Å²	199	22.4 Å²	22.4	93%	0.93	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-24	-170.1	-64.6	-173.1	167.6	0	0	115.1
98	T	55.2	Low	87.6	Confident	79 Å²	79	22.2 Å²	22.2	49%	0.485	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-7.6	-178.2	55.6	0	0	0	0	114.2	G96	G96-T98 PolarHBondContact O-N 3.14Å
99	S	59.3	Low	87.8	Confident	2 Å²	2	21 Å²	21	1%	0.014	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.2	-11.9	-166.2	-158.8	0	0	0	0	116.4	G96 C102 H220	G96-S99 PolarHBondContact O-N 3.31Å; S99-C102 CarbonylContact O-C 3.51Å; S99-C102 PolarHBondContact O-N 2.94Å; S99-C102 VanDerWaalsContact O-N 3.17Å; S99-C102 PolarHBondContact OG-O 3.27Å; S99-H220 PolarHBondContact OG-CE1 3.31Å
100	D	71.8	Confident	87.8	Confident	72 Å²	72	23.2 Å²	23.2	39%	0.385	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	48	-156	-175.8	-58.1	-36.6	0	0	0	112.5	Y95 G96 C102 R253	Y95-D100 PolarHBondContact N-O 3.4Å; G96-D100 PolarHBondContact O-N 2.85Å; G96-D100 VanDerWaalsContact O-N 3.11Å; D100-C102 PolarHBondContact O-N 2.94Å; D100-R253 IonicContact OD2-NH2 3.63Å; D100-R253 PolarHBondContact OD2-NH2 3.43Å
101	T	85.8	Confident	87.8	Confident	11 Å²	11	28.8 Å²	28.8	7%	0.067	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	30.6	167.8	55.4	0	0	0	0	112.9	A92 D94 A256 V305 F685 H686	A92-T101 HydrophobicContact CB-CG2 4.13Å; D94-T101 HydrophobicContact CB-CG2 4.36Å; T101-A256 VanDerWaalsContact C-CB 3.5Å; T101-A256 VanDerWaalsContact O-CB 3.23Å; T101-A256 WeakPolarHBondContact O-CB 3.37Å; T101-A256 PolarHBondContact O-N 3.31Å; T101-V305 HydrophobicContact CG2-CB 4.25Å; T101-V305 HydrophobicContact CG2-CG2 4.2Å; T101-F685 HydrophobicContact CG2-CE1 4.42Å; T101-F685 HydrophobicContact CG2-CZ 4.17Å; T101-H686 PolarHBondContact O-CE1 3.42Å; T101-H686 PolarHBondContact O-ND1 3.32Å; T101-H686 PolarHBondContact OG1-ND1 2.86Å
102	C	89.9	Confident	87.5	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	168.7	-177	-60	0	0	0	0	110.6	Y95 S99 D100 R253 V254 C688	Y95-C102 WeakPolarHBondContact CD2-O 3.06Å; S99-C102 CarbonylContact O-C 3.51Å; S99-C102 PolarHBondContact O-N 2.94Å; S99-C102 VanDerWaalsContact O-N 3.17Å; S99-C102 PolarHBondContact OG-O 3.27Å; D100-C102 PolarHBondContact O-N 2.94Å; C102-R253 HydrophobicContact CB-CG 4.43Å; C102-V254 CarbonylContact C-O 3.55Å; C102-V254 VanDerWaalsContact CA-O 3.25Å; C102-V254 WeakPolarHBondContact CA-O 3.4Å; C102-C688 HydrophobicContact CB-CB 3.61Å; C102-C688 WeakPolarHBondContact CB-SG 3.05Å; C102-C688 WeakPolarHBondContact SG-CB 3.41Å; C102-C688 PolarHBondContact SG-N 3.1Å; C102-C688 CovalentContact SG-SG 2.04Å; C102-C688 PolarHBondContact SG-SG 3.24Å
103	Y	91.5	Very high	87.4	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	165.3	168.4	66.5	-86.5	0	0	0	111	D73 Y95 S133 A134 Y201 K219 V254 P255 H257	D73-Y103 PolarHBondContact OD1-OH 3.42Å; Y95-Y103 AromaticContact CE2-CD1 3.87Å; Y95-Y103 HydrophobicContact CE2-CD1 3.87Å; Y95-Y103 HydrophobicContact CE2-CG 4.39Å; Y103-S133 WeakPolarHBondContact OH-CB 3.42Å; Y103-A134 HydrophobicContact CE2-CB 3.83Å; Y103-Y201 PolarHBondContact OH-OH 2.97Å; Y103-Y201 VanDerWaalsContact OH-OH 3.08Å; Y103-K219 HydrophobicContact CD2-CB 3.47Å; Y103-K219 VanDerWaalsContact CD2-CB 3.47Å; Y103-K219 HydrophobicContact CD2-CD 4.48Å; Y103-K219 HydrophobicContact CE2-CB 3.85Å; Y103-K219 HydrophobicContact CG-CB 4.38Å; Y103-V254 HydrophobicContact CD1-CG2 3.83Å; Y103-V254 HydrophobicContact CD2-CG2 3.56Å; Y103-V254 HydrophobicContact CE1-CG2 3.53Å; Y103-V254 HydrophobicContact CE2-CG2 3.24Å; Y103-V254 HydrophobicContact CG-CG2 3.86Å; Y103-V254 PolarHBondContact N-O 3.22Å; Y103-V254 VanDerWaalsContact O-CG2 3.31Å; Y103-V254 WeakPolarHBondContact O-CG2 3.09Å; Y103-V254 PolarHBondContact O-N 3.23Å; Y103-P255 WeakPolarHBondContact CE1-O 3.47Å; Y103-H257 AromaticContact CE1-CD2 3.98Å
104	Y	93	Very high	87.2	Confident	25 Å²	25	38 Å²	38	10%	0.098	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.1	176.4	-63	-92	0	0	0	111.1	K219 H220 Y246 K247 H250 R253	Y104-K219 CarbonylContact O-C 3.59Å; Y104-K219 VanDerWaalsContact O-CA 3.27Å; Y104-K219 WeakPolarHBondContact O-CA 3.28Å; Y104-H220 AromaticContact CD2-CE1 3.91Å; Y104-H220 AromaticContact CD2-ND1 3.98Å; Y104-H220 PolarHBondContact N-ND1 2.69Å; Y104-H220 VanDerWaalsContact N-ND1 3.15Å; Y104-H220 PolarHBondContact O-N 3.47Å; Y104-Y246 AromaticContact CD2-CD2 3.35Å; Y104-Y246 HydrophobicContact CD2-CD2 3.35Å; Y104-Y246 AromaticContact CD2-CE2 3.51Å; Y104-Y246 HydrophobicContact CD2-CE2 3.51Å; Y104-Y246 AromaticContact CE2-CD2 3.79Å; Y104-Y246 HydrophobicContact CE2-CD2 3.79Å; Y104-Y246 AromaticContact CE2-CE2 3.6Å; Y104-Y246 HydrophobicContact CE2-CE2 3.6Å; Y104-Y246 AromaticContact CG-CD2 3.77Å; Y104-Y246 HydrophobicContact CG-CD2 3.77Å; Y104-Y246 HydrophobicContact CG-CE2 4.38Å; Y104-K247 HydrophobicContact CE2-CG 4.31Å; Y104-H250 HydrophobicContact CD1-CB 3.95Å; Y104-H250 AromaticContact CD1-CD2 3.85Å; Y104-H250 AromaticContact CD1-CE1 3.82Å; Y104-H250 AromaticContact CD1-CG 3.51Å; Y104-H250 AromaticContact CD1-ND1 3.49Å; Y104-H250 WeakPolarHBondContact CD1-ND1 3.43Å; Y104-H250 AromaticContact CE1-CE1 3.66Å; Y104-H250 AromaticContact CE1-ND1 3.72Å; Y104-R253 HydrophobicContact CD1-CB 4.05Å; Y104-R253 HydrophobicContact CD1-CG 4.03Å; Y104-R253 HydrophobicContact CE1-CB 3.93Å; Y104-R253 HydrophobicContact CE1-CG 3.74Å; Y104-R253 HydrophobicContact CE2-CG 4.42Å
105	A	95.6	Very high	87.4	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	127	167.3	0	0	0	0	0	109.3	A134 I138 L251 A252	A105-A134 HydrophobicContact CB-CB 3.63Å; A105-I138 HydrophobicContact CB-CB 4.2Å; A105-I138 HydrophobicContact CB-CG1 4.31Å; A105-I138 HydrophobicContact CB-CG2 3.89Å; A105-L251 PolarHBondContact O-N 3.43Å; A105-A252 PolarHBondContact N-O 2.98Å
106	V	97.6	Very high	87.8	Confident	2 Å²	2	38 Å²	38	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	153.5	-172.7	-63.5	0	0	0	0	111.7	V108 V218 H220 L233 H250	V106-V108 HydrophobicContact CG2-CG2 3.87Å; V106-V218 HydrophobicContact CG2-CG2 4.19Å; V106-V218 WeakPolarHBondContact CG2-O 3.31Å; V106-V218 PolarHBondContact N-O 3.38Å; V106-V218 PolarHBondContact O-N 2.95Å; V106-H220 HydrophobicContact CG1-CB 4.2Å; V106-L233 HydrophobicContact CB-CD2 4.01Å; V106-L233 HydrophobicContact CG1-CD1 4.45Å; V106-L233 HydrophobicContact CG1-CD2 4.4Å; V106-L233 HydrophobicContact CG2-CD2 4.18Å; V106-H250 HydrophobicContact CG1-CB 4.09Å
107	A	98.4	Very high	88.5	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	112.4	169.5	0	0	0	0	0	109	V215 F217 L233 L234 L251	A107-V215 HydrophobicContact CB-CG2 4.14Å; A107-F217 HydrophobicContact CB-CD1 3.86Å; A107-F217 HydrophobicContact CB-CE1 3.74Å; A107-L233 WeakPolarHBondContact O-CA 3.46Å; A107-L234 HydrophobicContact CB-CB 4.1Å; A107-L234 HydrophobicContact CB-CG 4.49Å; A107-L234 PolarHBondContact O-N 3.42Å; A107-L251 HydrophobicContact CB-CD1 4.3Å; A107-L251 HydrophobicContact CB-CD2 4.5Å
108	V	98.6	Very high	90	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.8	-177.1	-176.3	0	0	0	0	109.7	V106 L208 V215 A216 V218 V223 Y231 E232 L233 I243	V106-V108 HydrophobicContact CG2-CG2 3.87Å; V108-L208 HydrophobicContact CB-CD2 4.3Å; V108-L208 HydrophobicContact CG1-CD2 3.92Å; V108-L208 WeakPolarHBondContact O-CD2 2.88Å; V108-V215 CarbonylContact O-C 3.45Å; V108-V215 WeakPolarHBondContact O-CA 3.11Å; V108-A216 PolarHBondContact N-O 2.82Å; V108-A216 PolarHBondContact O-N 2.04Å; V108-V218 HydrophobicContact CB-CG2 4.47Å; V108-V218 HydrophobicContact CG2-CG2 3.62Å; V108-V223 HydrophobicContact CG1-CG2 4.01Å; V108-V223 HydrophobicContact CG2-CG2 4.18Å; V108-Y231 HydrophobicContact CG1-CD1 4.09Å; V108-Y231 HydrophobicContact CG1-CG 4.23Å; V108-E232 WeakPolarHBondContact CA-O 3.49Å; V108-L233 HydrophobicContact CG2-CD2 4Å; V108-I243 HydrophobicContact CG1-CD1 4.17Å
109	V	98.6	Very high	91.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	159.1	174.3	-63.4	0	0	0	0	110.5	F115 V215 Y231 E232 L234	V109-F115 HydrophobicContact CB-CZ 4.45Å; V109-F115 HydrophobicContact CG1-CE2 3.75Å; V109-F115 HydrophobicContact CG1-CZ 3.78Å; V109-V215 HydrophobicContact CG1-CB 4.02Å; V109-V215 HydrophobicContact CG1-CG2 3.96Å; V109-Y231 CarbonylContact O-C 3.49Å; V109-Y231 VanDerWaalsContact O-CA 3.28Å; V109-Y231 WeakPolarHBondContact O-CA 3.46Å; V109-E232 HydrophobicContact CG2-CB 4.15Å; V109-E232 PolarHBondContact N-O 3.13Å; V109-E232 PolarHBondContact O-N 3.13Å; V109-L234 HydrophobicContact CG1-CD1 3.74Å; V109-L234 HydrophobicContact CG1-CD2 4.04Å; V109-L234 HydrophobicContact CG1-CG 3.79Å; V109-L234 HydrophobicContact CG2-CD2 3.78Å; V109-L234 HydrophobicContact CG2-CG 4.22Å
110	K	98.2	Very high	93.7	Very high	48 Å²	48	35.3 Å²	35.3	21%	0.209	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	143.6	166.6	-72.8	-177.1	174.7	177	0	110.1	T113 L208 V209 D211 Y231	K110-T113 HydrophobicContact CB-CG2 4.17Å; K110-T113 VanDerWaalsContact O-CG2 3.31Å; K110-T113 WeakPolarHBondContact O-CG2 3.13Å; K110-T113 PolarHBondContact O-OG1 2.93Å; K110-L208 WeakPolarHBondContact CE-O 3.19Å; K110-L208 HydrophobicContact CG-CD1 4.28Å; K110-L208 HydrophobicContact CG-CG 4.44Å; K110-L208 PolarHBondContact NZ-O 3.48Å; K110-V209 PolarHBondContact NZ-O 3.01Å; K110-D211 IonicContact NZ-OD1 2.64Å; K110-D211 PolarHBondContact NZ-OD1 2.96Å; K110-D211 IonicContact NZ-OD2 2.97Å; K110-D211 PolarHBondContact NZ-OD2 3.5Å; K110-Y231 HydrophobicContact CG-CD1 4.13Å; K110-Y231 HydrophobicContact CG-CE1 3.79Å
111	K	96.3	Very high	94.7	Very high	133 Å²	133	33.6 Å²	33.6	58%	0.578	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	139.1	177	-172.7	165	-170.6	174.2	0	110.9	N230 E232	K111-N230 WeakPolarHBondContact CB-O 3.38Å; K111-N230 PolarHBondContact N-O 3.26Å; K111-E232 HydrophobicContact CB-CG 4.14Å; K111-E232 HydrophobicContact CG-CG 4.06Å
112	G	91.8	Very high	95	Very high	69 Å²	69	35.2 Å²	35.2	71%	0.711	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.6	6.1	175.1	0	0	0	0	0	116	G114	G112-G114 VanDerWaalsContact C-N 3.27Å; G112-G114 PolarHBondContact O-N 3.08Å
113	T	93.3	Very high	95.4	Very high	57 Å²	57	37.5 Å²	37.5	35%	0.35	23%	0.232	S	C	.	.			trans	-70.1	-14.7	176.6	48.5	0	0	0	0	115	K110 F115 R240	K110-T113 HydrophobicContact CB-CG2 4.17Å; K110-T113 VanDerWaalsContact O-CG2 3.31Å; K110-T113 WeakPolarHBondContact O-CG2 3.13Å; K110-T113 PolarHBondContact O-OG1 2.93Å; T113-F115 VanDerWaalsContact C-N 3.29Å; T113-F115 VanDerWaalsContact CB-CE1 3.49Å; T113-F115 HydrophobicContact CG2-CE1 4.1Å; T113-F115 WeakPolarHBondContact O-CD1 3.46Å; T113-F115 PolarHBondContact O-N 2.93Å; T113-F115 VanDerWaalsContact O-N 3.08Å; T113-R240 PolarHBondContact OG1-NH1 3.32Å; T113-R240 PolarHBondContact OG1-NH2 3.22Å
114	G	92.1	Very high	95.6	Very high	71 Å²	71	40.9 Å²	40.9	73%	0.732	25%	0.246	S	C	*	.			trans	74.5	-18.3	171.8	0	0	0	0	0	118.7	G112 R240	G112-G114 VanDerWaalsContact C-N 3.27Å; G112-G114 PolarHBondContact O-N 3.08Å; G114-R240 VanDerWaalsContact N-CZ 3.35Å
115	F	97	Very high	95.9	Very high	17 Å²	17	39.7 Å²	39.7	8%	0.075	24%	0.241	C	C	.	.			trans	-88.7	147.8	-178.9	67.7	-104.7	0	0	0	115.3	V109 T113 D119 L120 K123 E214 L234 R240	V109-F115 HydrophobicContact CB-CZ 4.45Å; V109-F115 HydrophobicContact CG1-CE2 3.75Å; V109-F115 HydrophobicContact CG1-CZ 3.78Å; T113-F115 VanDerWaalsContact C-N 3.29Å; T113-F115 VanDerWaalsContact CB-CE1 3.49Å; T113-F115 HydrophobicContact CG2-CE1 4.1Å; T113-F115 WeakPolarHBondContact O-CD1 3.46Å; T113-F115 PolarHBondContact O-N 2.93Å; T113-F115 VanDerWaalsContact O-N 3.08Å; F115-D119 HydrophobicContact CB-CB 3.76Å; F115-L120 HydrophobicContact CD2-CD2 4.26Å; F115-L120 HydrophobicContact CE2-CD2 3.79Å; F115-K123 HydrophobicContact CD1-CD 4.44Å; F115-K123 HydrophobicContact CE1-CD 4.38Å; F115-E214 HydrophobicContact CE1-CB 4.35Å; F115-E214 HydrophobicContact CZ-CB 4.13Å; F115-L234 HydrophobicContact CD2-CD1 4.3Å; F115-L234 HydrophobicContact CE2-CD1 3.96Å; F115-L234 WeakPolarHBondContact O-CD2 3.37Å; F115-R240 VanDerWaalsContact O-CZ 3.26Å; F115-R240 PolarHBondContact O-NE 2.65Å; F115-R240 PolarHBondContact O-NH2 2.86Å
116	G	96.6	Very high	96	Very high	4 Å²	4	39.7 Å²	39.7	4%	0.041	24%	0.242	C	C	.	.			trans	-95.4	-175.6	173.3	0	0	0	0	0	113.4	R118 D119 N238	G116-R118 PolarHBondContact O-N 3.26Å; G116-D119 PolarHBondContact N-OD2 2.89Å; G116-D119 PolarHBondContact O-N 3.43Å; G116-D119 VanDerWaalsContact O-N 3.16Å; G116-N238 WeakPolarHBondContact CA-OD1 3.48Å
117	I	95.4	Very high	96	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.015	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-62.7	-29.5	176.7	-161.4	167.8	0	0	0	112.9	D119 L120 L143 I148 L234 C235 L236 N238 L251	I117-D119 VanDerWaalsContact C-N 3.25Å; I117-D119 PolarHBondContact O-N 2.74Å; I117-L120 HydrophobicContact CG1-CD1 3.92Å; I117-L120 WeakPolarHBondContact O-CD1 3.48Å; I117-L120 VanDerWaalsContact O-CG 3.26Å; I117-L120 WeakPolarHBondContact O-CG 3.42Å; I117-L143 HydrophobicContact CG1-CD2 4.33Å; I117-I148 HydrophobicContact CG2-CD1 4.4Å; I117-L234 HydrophobicContact CB-CB 4.26Å; I117-C235 WeakPolarHBondContact CG2-O 3.44Å; I117-L236 HydrophobicContact CD1-CD2 3.97Å; I117-N238 PolarHBondContact N-OD1 3.21Å; I117-L251 HydrophobicContact CD1-CD2 3.46Å; I117-L251 VanDerWaalsContact CD1-CD2 3.46Å
118	R	94.9	Very high	95.9	Very high	152 Å²	152	39.6 Å²	39.6	57%	0.574	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-75.8	-15.2	178.6	-62.1	179.9	-177.7	-178.4	1.2	113	G116 I148 N238	G116-R118 PolarHBondContact O-N 3.26Å; R118-I148 HydrophobicContact CG-CD1 3.9Å; R118-I148 HydrophobicContact CG-CG1 4.27Å; R118-N238 VanDerWaalsContact CB-OD1 3.31Å; R118-N238 WeakPolarHBondContact CB-OD1 3.39Å; R118-N238 HydrophobicContact CG-CB 4.22Å; R118-N238 WeakPolarHBondContact CG-OD1 3.41Å; R118-N238 PolarHBondContact N-OD1 3.44Å
119	D	95.4	Very high	95.8	Very high	75 Å²	75	39.6 Å²	39.6	40%	0.401	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-98.6	9.8	-176.1	-57.8	-48.3	0	0	0	112.8	F115 G116 I117 G121 K123	F115-D119 HydrophobicContact CB-CB 3.76Å; G116-D119 PolarHBondContact N-OD2 2.89Å; G116-D119 PolarHBondContact O-N 3.43Å; G116-D119 VanDerWaalsContact O-N 3.16Å; I117-D119 VanDerWaalsContact C-N 3.25Å; I117-D119 PolarHBondContact O-N 2.74Å; D119-G121 PolarHBondContact O-N 3.32Å; D119-K123 PolarHBondContact O-NZ 3Å
120	L	95.3	Very high	95.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.249	C	C	.	.			trans	-68.3	-17.3	-179.1	-73	179.7	0	0	0	113.5	F115 I117 G122 K123 L143 F167 F168 V215 F217 L234	F115-L120 HydrophobicContact CD2-CD2 4.26Å; F115-L120 HydrophobicContact CE2-CD2 3.79Å; I117-L120 HydrophobicContact CG1-CD1 3.92Å; I117-L120 WeakPolarHBondContact O-CD1 3.48Å; I117-L120 VanDerWaalsContact O-CG 3.26Å; I117-L120 WeakPolarHBondContact O-CG 3.42Å; L120-G122 PolarHBondContact O-N 2.91Å; L120-K123 WeakPolarHBondContact O-CB 3.47Å; L120-K123 PolarHBondContact O-N 3.1Å; L120-L143 HydrophobicContact CD1-CD2 4.25Å; L120-F167 HydrophobicContact CB-CE1 3.78Å; L120-F167 HydrophobicContact CB-CZ 3.93Å; L120-F168 HydrophobicContact CB-CE1 4.13Å; L120-V215 HydrophobicContact CD2-CB 4.14Å; L120-V215 HydrophobicContact CD2-CG1 3.88Å; L120-V215 HydrophobicContact CD2-CG2 4.32Å; L120-F217 HydrophobicContact CD1-CE1 4.49Å; L120-F217 HydrophobicContact CD1-CZ 4.06Å; L120-L234 HydrophobicContact CD2-CD1 3.99Å; L120-L234 HydrophobicContact CG-CD1 4.45Å
121	G	93.3	Very high	95.1	Very high	37 Å²	37	39.8 Å²	39.8	38%	0.381	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	127	172.4	0	0	0	0	0	111.3	D119 K123 F167	D119-G121 PolarHBondContact O-N 3.32Å; G121-K123 VanDerWaalsContact C-N 3.28Å; G121-K123 PolarHBondContact O-N 2.95Å; G121-F167 VanDerWaalsContact N-CZ 3.33Å
122	G	93.6	Very high	95	Very high	45 Å²	45	33.7 Å²	33.7	46%	0.464	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	7.6	-177.6	0	0	0	0	0	115.2	L120 F167 Q169	L120-G122 PolarHBondContact O-N 2.91Å; G122-F167 PolarHBondContact N-O 3.38Å; G122-Q169 WeakPolarHBondContact O-CB 3.27Å
123	K	96.4	Very high	95.1	Very high	48 Å²	48	30.4 Å²	30.4	21%	0.209	19%	0.189	C	C	.	.			trans	-87	168.4	174.1	-58.9	-62.5	176.7	-58.9	0	112	F115 D119 L120 G121 F168 Q169 E214	F115-K123 HydrophobicContact CD1-CD 4.44Å; F115-K123 HydrophobicContact CE1-CD 4.38Å; D119-K123 PolarHBondContact O-NZ 3Å; L120-K123 WeakPolarHBondContact O-CB 3.47Å; L120-K123 PolarHBondContact O-N 3.1Å; G121-K123 VanDerWaalsContact C-N 3.28Å; G121-K123 PolarHBondContact O-N 2.95Å; K123-F168 CarbonylContact O-C 3.47Å; K123-F168 WeakPolarHBondContact O-CA 3.26Å; K123-F168 WeakPolarHBondContact O-CB 3.48Å; K123-F168 WeakPolarHBondContact O-CD1 3.39Å; K123-Q169 PolarHBondContact O-N 3.28Å; K123-E214 VanDerWaalsContact CA-OE2 3.25Å; K123-E214 WeakPolarHBondContact CA-OE2 3.31Å; K123-E214 WeakPolarHBondContact CB-OE2 3.22Å; K123-E214 WeakPolarHBondContact CD-OE1 3.19Å; K123-E214 WeakPolarHBondContact CD-OE2 3.39Å
124	K	97.6	Very high	95.2	Very high	70 Å²	70	27.7 Å²	27.7	30%	0.304	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134.3	171.6	-66.3	-177	-175.3	179	0	111.7	Q169 A170 L185 A212 E214 V215	K124-Q169 VanDerWaalsContact CE-OE1 3.26Å; K124-Q169 HydrophobicContact CG-CB 4.41Å; K124-A170 VanDerWaalsContact CA-O 3.27Å; K124-A170 WeakPolarHBondContact CA-O 3.09Å; K124-L185 HydrophobicContact CB-CD1 3.79Å; K124-L185 HydrophobicContact CD-CD1 4.34Å; K124-L185 HydrophobicContact CD-CD2 4.14Å; K124-L185 HydrophobicContact CG-CD1 4.27Å; K124-A212 WeakPolarHBondContact CD-O 3.37Å; K124-E214 HydrophobicContact CB-CG 4.32Å; K124-E214 PolarHBondContact N-OE2 2.9Å; K124-E214 PolarHBondContact O-N 3.02Å; K124-V215 PolarHBondContact O-N 2.8Å
125	S	97.4	Very high	95.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.4	-173.8	64.1	0	0	0	0	114.7	H127 F168 A170 S171 C172	S125-H127 WeakPolarHBondContact CB-NE2 3.16Å; S125-H127 PolarHBondContact OG-CD2 3.44Å; S125-H127 PolarHBondContact OG-NE2 3.24Å; S125-F168 WeakPolarHBondContact OG-CG 3.31Å; S125-A170 PolarHBondContact N-O 3.06Å; S125-A170 VanDerWaalsContact N-O 3.16Å; S125-S171 CarbonylContact O-C 3.45Å; S125-S171 WeakPolarHBondContact O-CA 3.42Å; S125-S171 WeakPolarHBondContact O-CB 3.47Å; S125-S171 WeakPolarHBondContact OG-CB 3.17Å; S125-S171 PolarHBondContact OG-OG 3.4Å; S125-C172 PolarHBondContact O-N 2.96Å
126	C	98.4	Very high	95.2	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.007	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.6	175.7	-53.5	0	0	0	0	109.7	A204 C207 G213 V215 A216 F217	C126-A204 HydrophobicContact CB-CB 4.45Å; C126-A204 VanDerWaalsContact CB-O 3.25Å; C126-A204 WeakPolarHBondContact CB-O 3.42Å; C126-C207 HydrophobicContact CB-CB 3.57Å; C126-C207 WeakPolarHBondContact CB-SG 3.35Å; C126-C207 WeakPolarHBondContact SG-CB 3.37Å; C126-C207 CovalentContact SG-SG 2.03Å; C126-C207 PolarHBondContact SG-SG 3.29Å; C126-G213 VanDerWaalsContact SG-CA 3.6Å; C126-V215 PolarHBondContact N-O 2.62Å; C126-A216 HydrophobicContact CB-CB 4.16Å; C126-A216 WeakPolarHBondContact O-CA 3.08Å; C126-F217 PolarHBondContact O-N 2.92Å
127	H	97.9	Very high	95	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.5	-175.9	-59.1	-97.4	0	0	0	110.6	S125 G129 G135 W136 C172 A173 P174 F217	S125-H127 WeakPolarHBondContact CB-NE2 3.16Å; S125-H127 PolarHBondContact OG-CD2 3.44Å; S125-H127 PolarHBondContact OG-NE2 3.24Å; H127-G129 PolarHBondContact O-N 2.91Å; H127-G129 VanDerWaalsContact O-N 3.12Å; H127-G135 WeakPolarHBondContact CB-O 2.98Å; H127-G135 PolarHBondContact ND1-O 2.03Å; H127-W136 AromaticContact ND1-CE3 3.88Å; H127-C172 WeakPolarHBondContact CB-O 3.38Å; H127-C172 PolarHBondContact N-O 3.18Å; H127-A173 HydrophobicContact CB-CB 4.17Å; H127-P174 VanDerWaalsContact O-CD 3.26Å; H127-P174 WeakPolarHBondContact O-CD 3.34Å; H127-F217 AromaticContact CE1-CD2 3.46Å; H127-F217 VanDerWaalsContact CE1-CD2 3.46Å; H127-F217 WeakPolarHBondContact CE1-CD2 3.45Å; H127-F217 AromaticContact CE1-CE2 3.61Å; H127-F217 AromaticContact ND1-CD2 3.55Å
128	T	96.8	Very high	94.9	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-64.2	-19.4	178	64.8	0	0	0	0	114.1	G135 Y199 D200 Y201 A204 F217 V218	T128-G135 VanDerWaalsContact OG1-CA 3.29Å; T128-G135 WeakPolarHBondContact OG1-CA 3.47Å; T128-G135 PolarHBondContact OG1-N 3.15Å; T128-Y199 WeakPolarHBondContact O-CD2 3.25Å; T128-D200 WeakPolarHBondContact O-CA 3.46Å; T128-D200 PolarHBondContact O-N 2.75Å; T128-Y201 HydrophobicContact CG2-CD1 3.54Å; T128-Y201 HydrophobicContact CG2-CE1 3.89Å; T128-Y201 HydrophobicContact CG2-CG 4.29Å; T128-A204 HydrophobicContact CG2-CB 4.16Å; T128-F217 WeakPolarHBondContact CG2-O 3.26Å; T128-V218 HydrophobicContact CG2-CG1 4.26Å
129	G	94.9	Very high	94.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.108	C	C	.	.			trans	147	145	-177.8	0	0	0	0	0	112.2	H127 G131 K132 P174	H127-G129 PolarHBondContact O-N 2.91Å; H127-G129 VanDerWaalsContact O-N 3.12Å; G129-G131 PolarHBondContact O-N 2.84Å; G129-K132 WeakPolarHBondContact O-CB 2.99Å; G129-K132 PolarHBondContact O-N 3.23Å; G129-P174 CarbonylContact C-O 3.46Å; G129-P174 VanDerWaalsContact CA-O 3.24Å; G129-P174 WeakPolarHBondContact CA-O 3.4Å
130	L	92.2	Very high	94.7	Very high	32 Å²	32	13.2 Å²	13.2	17%	0.168	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	131.7	177.9	-167.7	76.4	0	0	0	110.5	K132 W136 E160 P174 R192	L130-K132 VanDerWaalsContact C-N 3.26Å; L130-K132 PolarHBondContact O-N 3.27Å; L130-W136 HydrophobicContact CD1-CD2 3.63Å; L130-W136 HydrophobicContact CD1-CE3 3.94Å; L130-W136 HydrophobicContact CD1-CG 4.3Å; L130-W136 HydrophobicContact CD1-CH2 3.66Å; L130-W136 HydrophobicContact CD1-CZ2 3.35Å; L130-W136 HydrophobicContact CD1-CZ3 3.94Å; L130-E160 HydrophobicContact CD1-CG 3.75Å; L130-E160 HydrophobicContact CD2-CG 4.35Å; L130-P174 PolarHBondContact N-O 2.76Å; L130-R192 WeakPolarHBondContact O-CD 3.37Å; L130-R192 PolarHBondContact O-NE 2.81Å; L130-R192 PolarHBondContact O-NH1 3.46Å
131	G	90.7	Very high	94.3	Very high	21 Å²	21	13.3 Å²	13.3	22%	0.216	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	-0.9	179.7	0	0	0	0	0	115.9	G75 G129 N137	G75-G131 WeakPolarHBondContact CA-O 2.97Å; G129-G131 PolarHBondContact O-N 2.84Å; G131-N137 WeakPolarHBondContact CA-OD1 3.45Å; G131-N137 PolarHBondContact O-ND2 2.96Å
132	K	94.4	Very high	94.1	Very high	4 Å²	4	12 Å²	12	2%	0.017	7%	0.074	C	C	.	.			trans	-77.2	151.3	172.5	-62.5	-170	85.1	171.2	0	111.3	D73 G129 L130 W136 N137 D200	D73-K132 VanDerWaalsContact OD2-CA 3.23Å; D73-K132 WeakPolarHBondContact OD2-CA 3.32Å; G129-K132 WeakPolarHBondContact O-CB 2.99Å; G129-K132 PolarHBondContact O-N 3.23Å; L130-K132 VanDerWaalsContact C-N 3.26Å; L130-K132 PolarHBondContact O-N 3.27Å; K132-W136 WeakPolarHBondContact O-CA 3.36Å; K132-W136 WeakPolarHBondContact O-CB 3.36Å; K132-W136 PolarHBondContact O-N 3.03Å; K132-N137 PolarHBondContact O-N 3.44Å; K132-D200 IonicContact NZ-OD1 3.19Å; K132-D200 PolarHBondContact NZ-OD1 2.95Å; K132-D200 IonicContact NZ-OD2 3.71Å; K132-D200 PolarHBondContact NZ-OD2 3.33Å
133	S	93.8	Very high	93.9	Very high	1 Å²	1	10 Å²	10	1%	0.007	5%	0.053	C	C	.	.	I	π-helix	trans	-54.8	-72.5	-177.9	-60.4	0	0	0	0	112.3	D73 G74 G75 Y103 G135 N137 I138 Y321	D73-S133 PolarHBondContact OD2-N 3.4Å; D73-S133 PolarHBondContact OD2-OG 2.96Å; D73-S133 VanDerWaalsContact OD2-OG 3.13Å; G74-S133 WeakPolarHBondContact CA-OG 3.43Å; G74-S133 PolarHBondContact N-OG 3.44Å; G75-S133 PolarHBondContact N-OG 3.29Å; Y103-S133 WeakPolarHBondContact OH-CB 3.42Å; S133-G135 PolarHBondContact O-N 3.37Å; S133-N137 PolarHBondContact O-N 3.17Å; S133-I138 WeakPolarHBondContact O-CB 3.35Å; S133-I138 WeakPolarHBondContact O-CG1 3.28Å; S133-I138 PolarHBondContact O-N 3.42Å; S133-Y321 WeakPolarHBondContact OG-CE2 3.18Å; S133-Y321 PolarHBondContact OG-OH 3.19Å
134	A	94.3	Very high	93.4	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.047	C	C	.	.	I	π-helix	trans	-73.3	-28.7	-172.9	0	0	0	0	0	114.8	Y103 A105 P139 Y201	Y103-A134 HydrophobicContact CE2-CB 3.83Å; A105-A134 HydrophobicContact CB-CB 3.63Å; A134-P139 VanDerWaalsContact O-CD 3.28Å; A134-P139 WeakPolarHBondContact O-CD 3.26Å; A134-P139 WeakPolarHBondContact O-CG 3.27Å; A134-Y201 HydrophobicContact CB-CE1 4.08Å
135	G	95.1	Very high	92.6	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.058	C	C	.	.	I	π-helix	trans	-88.5	-18.7	-178.2	0	0	0	0	0	114.8	H127 T128 S133	H127-G135 WeakPolarHBondContact CB-O 2.98Å; H127-G135 PolarHBondContact ND1-O 2.03Å; T128-G135 VanDerWaalsContact OG1-CA 3.29Å; T128-G135 WeakPolarHBondContact OG1-CA 3.47Å; T128-G135 PolarHBondContact OG1-N 3.15Å; S133-G135 PolarHBondContact O-N 3.37Å
136	W	94.6	Very high	92	Very high	4 Å²	4	12.1 Å²	12.1	2%	0.015	7%	0.073	C	C	.	.	I	π-helix	trans	-137.8	-64.2	-175.5	-170.8	-98.3	0	0	0	113	H127 L130 K132 I138 P139 I140 E160 V164 A173 L182	H127-W136 AromaticContact ND1-CE3 3.88Å; L130-W136 HydrophobicContact CD1-CD2 3.63Å; L130-W136 HydrophobicContact CD1-CE3 3.94Å; L130-W136 HydrophobicContact CD1-CG 4.3Å; L130-W136 HydrophobicContact CD1-CH2 3.66Å; L130-W136 HydrophobicContact CD1-CZ2 3.35Å; L130-W136 HydrophobicContact CD1-CZ3 3.94Å; K132-W136 WeakPolarHBondContact O-CA 3.36Å; K132-W136 WeakPolarHBondContact O-CB 3.36Å; K132-W136 PolarHBondContact O-N 3.03Å; W136-I138 PolarHBondContact O-N 2.98Å; W136-P139 VanDerWaalsContact O-CD 3.3Å; W136-P139 WeakPolarHBondContact O-CD 3.34Å; W136-P139 WeakPolarHBondContact O-CG 3.31Å; W136-I140 HydrophobicContact CD2-CG1 3.96Å; W136-I140 HydrophobicContact CE3-CG1 4.12Å; W136-I140 HydrophobicContact CG-CG1 4.42Å; W136-I140 HydrophobicContact CZ2-CG1 4.34Å; W136-I140 HydrophobicContact CZ3-CG1 4.41Å; W136-I140 VanDerWaalsContact O-CB 3.27Å; W136-I140 WeakPolarHBondContact O-CB 3.32Å; W136-I140 VanDerWaalsContact O-CG1 3.26Å; W136-I140 WeakPolarHBondContact O-CG1 3.5Å; W136-I140 PolarHBondContact O-N 3.17Å; W136-E160 HydrophobicContact CH2-CG 4.48Å; W136-E160 HydrophobicContact CZ2-CG 3.91Å; W136-V164 HydrophobicContact CH2-CB 3.98Å; W136-V164 HydrophobicContact CH2-CG1 3.73Å; W136-V164 HydrophobicContact CH2-CG2 3.96Å; W136-V164 HydrophobicContact CZ2-CG2 4.12Å; W136-V164 HydrophobicContact CZ3-CG1 4.06Å; W136-A173 HydrophobicContact CE3-CB 4.26Å; W136-A173 HydrophobicContact CZ3-CB 3.84Å; W136-L182 HydrophobicContact CH2-CD1 3.96Å; W136-L182 HydrophobicContact CH2-CD2 4.24Å; W136-L182 HydrophobicContact CZ3-CD2 4.45Å
137	N	92.7	Very high	91.4	Very high	12 Å²	12	17.5 Å²	17.5	6%	0.064	10%	0.102	C	C	.	.	I	π-helix	trans	-62.5	-49.4	-168.2	-63.1	-19.8	0	0	0	112.2	G131 K132 S133 G141 Y321 I324 I325 L328	G131-N137 WeakPolarHBondContact CA-OD1 3.45Å; G131-N137 PolarHBondContact O-ND2 2.96Å; K132-N137 PolarHBondContact O-N 3.44Å; S133-N137 PolarHBondContact O-N 3.17Å; N137-G141 WeakPolarHBondContact O-CA 3.48Å; N137-G141 PolarHBondContact O-N 2.77Å; N137-Y321 PolarHBondContact ND2-OH 3.21Å; N137-Y321 VanDerWaalsContact ND2-OH 3.15Å; N137-I324 WeakPolarHBondContact O-CG2 3.29Å; N137-I325 HydrophobicContact CB-CD1 3.64Å; N137-I325 VanDerWaalsContact CG-CD1 3.43Å; N137-I325 VanDerWaalsContact ND2-CD1 3.28Å; N137-I325 WeakPolarHBondContact ND2-CD1 3.38Å; N137-L328 HydrophobicContact CB-CD1 3.79Å
138	I	92.8	Very high	90.9	Very high	1 Å²	1	19 Å²	19	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-63.4	-57.4	177.9	-61	-57.1	0	0	0	111.6	A105 S133 W136 I140 G141 T142 L251 A252 V254 Y321 I324	A105-I138 HydrophobicContact CB-CB 4.2Å; A105-I138 HydrophobicContact CB-CG1 4.31Å; A105-I138 HydrophobicContact CB-CG2 3.89Å; S133-I138 WeakPolarHBondContact O-CB 3.35Å; S133-I138 WeakPolarHBondContact O-CG1 3.28Å; S133-I138 PolarHBondContact O-N 3.42Å; W136-I138 PolarHBondContact O-N 2.98Å; I138-I140 PolarHBondContact O-N 2.97Å; I138-G141 PolarHBondContact O-N 3.11Å; I138-T142 WeakPolarHBondContact O-CB 3.49Å; I138-T142 PolarHBondContact O-N 3.13Å; I138-T142 PolarHBondContact O-OG1 3.4Å; I138-L251 HydrophobicContact CG2-CB 3.6Å; I138-L251 HydrophobicContact CG2-CD1 4.49Å; I138-A252 HydrophobicContact CD1-CB 3.88Å; I138-A252 HydrophobicContact CG1-CB 4.27Å; I138-A252 HydrophobicContact CG2-CB 3.61Å; I138-V254 HydrophobicContact CD1-CG1 3.71Å; I138-V254 HydrophobicContact CG1-CG1 3.7Å; I138-Y321 HydrophobicContact CD1-CD2 3.9Å; I138-Y321 HydrophobicContact CD1-CE2 3.93Å; I138-Y321 HydrophobicContact CG1-CE2 4.38Å; I138-I324 HydrophobicContact CD1-CD1 3.56Å; I138-I324 HydrophobicContact CD1-CG2 4.34Å
139	P	93.7	Very high	90.3	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-62.9	-45.9	-175.9	23.1	-34.2	0	0	0	112.8	A134 W136 T142 L143 F217 L251	A134-P139 VanDerWaalsContact O-CD 3.28Å; A134-P139 WeakPolarHBondContact O-CD 3.26Å; A134-P139 WeakPolarHBondContact O-CG 3.27Å; W136-P139 VanDerWaalsContact O-CD 3.3Å; W136-P139 WeakPolarHBondContact O-CD 3.34Å; W136-P139 WeakPolarHBondContact O-CG 3.31Å; P139-T142 PolarHBondContact O-N 2.97Å; P139-L143 VanDerWaalsContact O-CG 3.24Å; P139-L143 WeakPolarHBondContact O-CG 3.46Å; P139-L143 PolarHBondContact O-N 3.09Å; P139-F217 HydrophobicContact CB-CB 4.36Å; P139-F217 HydrophobicContact CB-CD1 3.39Å; P139-F217 HydrophobicContact CB-CD2 4.29Å; P139-F217 HydrophobicContact CB-CE1 3.57Å; P139-F217 HydrophobicContact CB-CE2 4.44Å; P139-F217 HydrophobicContact CB-CG 3.76Å; P139-F217 HydrophobicContact CB-CZ 4.1Å; P139-F217 HydrophobicContact CG-CB 4.01Å; P139-F217 HydrophobicContact CG-CD1 4Å; P139-F217 HydrophobicContact CG-CD2 4.43Å; P139-F217 HydrophobicContact CG-CG 3.89Å; P139-L251 HydrophobicContact CB-CD1 3.87Å
140	I	92.1	Very high	89.6	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-68.2	-41.6	-178.6	-57.9	-53.2	0	0	0	111	W136 I138 T142 L143 I144 I159 V164 F168 L328	W136-I140 HydrophobicContact CD2-CG1 3.96Å; W136-I140 HydrophobicContact CE3-CG1 4.12Å; W136-I140 HydrophobicContact CG-CG1 4.42Å; W136-I140 HydrophobicContact CZ2-CG1 4.34Å; W136-I140 HydrophobicContact CZ3-CG1 4.41Å; W136-I140 VanDerWaalsContact O-CB 3.27Å; W136-I140 WeakPolarHBondContact O-CB 3.32Å; W136-I140 VanDerWaalsContact O-CG1 3.26Å; W136-I140 WeakPolarHBondContact O-CG1 3.5Å; W136-I140 PolarHBondContact O-N 3.17Å; I138-I140 PolarHBondContact O-N 2.97Å; I140-T142 VanDerWaalsContact C-N 3.34Å; I140-T142 PolarHBondContact O-N 3.16Å; I140-L143 PolarHBondContact O-N 3.01Å; I140-I144 HydrophobicContact CG2-CD1 4.32Å; I140-I144 PolarHBondContact O-N 2.64Å; I140-I144 VanDerWaalsContact O-N 3.08Å; I140-I159 HydrophobicContact CG2-CD1 3.41Å; I140-I159 VanDerWaalsContact CG2-CD1 3.41Å; I140-I159 HydrophobicContact CG2-CG1 4.14Å; I140-V164 HydrophobicContact CD1-CG1 3.93Å; I140-V164 HydrophobicContact CD1-CG2 3.87Å; I140-V164 HydrophobicContact CG1-CG2 4.26Å; I140-V164 HydrophobicContact CG2-CG2 3.84Å; I140-F168 HydrophobicContact CD1-CE2 4.22Å; I140-L328 HydrophobicContact CB-CD2 3.91Å; I140-L328 HydrophobicContact CG2-CD2 3.66Å
141	G	88.6	Confident	89	Confident	1 Å²	1	25 Å²	25	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-67.3	-35.7	178.5	0	0	0	0	0	112.4	N137 I138 I144 S145	N137-G141 WeakPolarHBondContact O-CA 3.48Å; N137-G141 PolarHBondContact O-N 2.77Å; I138-G141 PolarHBondContact O-N 3.11Å; G141-I144 PolarHBondContact O-N 3.22Å; G141-S145 WeakPolarHBondContact O-CB 3.37Å; G141-S145 PolarHBondContact O-N 3.05Å; G141-S145 PolarHBondContact O-OG 2.92Å
142	T	87.5	Confident	88.2	Confident	10 Å²	10	27.3 Å²	27.3	6%	0.061	15%	0.153	C	C	.	.	H	α-helix	trans	-63.4	-45.1	172.5	-58.6	0	0	0	0	111.6	I138 P139 I140 I144 S145 Q146 L236	I138-T142 WeakPolarHBondContact O-CB 3.49Å; I138-T142 PolarHBondContact O-N 3.13Å; I138-T142 PolarHBondContact O-OG1 3.4Å; P139-T142 PolarHBondContact O-N 2.97Å; I140-T142 VanDerWaalsContact C-N 3.34Å; I140-T142 PolarHBondContact O-N 3.16Å; T142-I144 VanDerWaalsContact C-N 3.28Å; T142-I144 PolarHBondContact O-N 3.14Å; T142-S145 PolarHBondContact O-N 2.81Å; T142-S145 PolarHBondContact O-OG 2.71Å; T142-S145 VanDerWaalsContact O-OG 3.1Å; T142-Q146 HydrophobicContact CG2-CG 4.47Å; T142-Q146 WeakPolarHBondContact O-CB 3.48Å; T142-Q146 WeakPolarHBondContact O-CG 3.17Å; T142-Q146 PolarHBondContact O-N 3.49Å; T142-L236 HydrophobicContact CG2-CD2 3.52Å
143	L	89.3	Confident	87.1	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-63.8	-35.6	179.2	-68	173	0	0	0	111.8	I117 L120 P139 I140 I148 L149 F167 F168	I117-L143 HydrophobicContact CG1-CD2 4.33Å; L120-L143 HydrophobicContact CD1-CD2 4.25Å; P139-L143 VanDerWaalsContact O-CG 3.24Å; P139-L143 WeakPolarHBondContact O-CG 3.46Å; P139-L143 PolarHBondContact O-N 3.09Å; I140-L143 PolarHBondContact O-N 3.01Å; L143-I148 HydrophobicContact CD2-CB 4.03Å; L143-I148 HydrophobicContact CD2-CD1 3.98Å; L143-I148 HydrophobicContact CD2-CG2 3.82Å; L143-I148 PolarHBondContact O-N 3.31Å; L143-L149 HydrophobicContact CB-CB 3.81Å; L143-L149 PolarHBondContact O-N 2.99Å; L143-F167 HydrophobicContact CD1-CE1 4.05Å; L143-F168 HydrophobicContact CD1-CZ 4.24Å
144	I	86.1	Confident	86.1	Confident	18 Å²	18	31.6 Å²	31.6	9%	0.092	18%	0.177	C	C	.	.	H	α-helix	trans	-69.2	-50.5	173.9	-73.8	169.6	0	0	0	111.4	I140 G141 T142 Q146 N147 L149 W151 I159 L328	I140-I144 HydrophobicContact CG2-CD1 4.32Å; I140-I144 PolarHBondContact O-N 2.64Å; I140-I144 VanDerWaalsContact O-N 3.08Å; G141-I144 PolarHBondContact O-N 3.22Å; T142-I144 VanDerWaalsContact C-N 3.28Å; T142-I144 PolarHBondContact O-N 3.14Å; I144-Q146 PolarHBondContact O-N 3.12Å; I144-N147 PolarHBondContact O-N 3.15Å; I144-L149 HydrophobicContact CD1-CD2 4.24Å; I144-L149 HydrophobicContact CG1-CB 4.47Å; I144-L149 HydrophobicContact CG1-CD2 3.71Å; I144-W151 HydrophobicContact CD1-CE3 3.91Å; I144-I159 HydrophobicContact CD1-CD1 3.28Å; I144-I159 HydrophobicContact CD1-CG1 4.27Å; I144-L328 HydrophobicContact CD1-CD2 4.42Å
145	S	82	Confident	84.9	Confident	77 Å²	77	38.6 Å²	38.6	54%	0.538	21%	0.21	S	C	.	.	H	α-helix	trans	-63.7	-30.8	-175.1	68.3	0	0	0	0	112.4	G141 T142 N147	G141-S145 WeakPolarHBondContact O-CB 3.37Å; G141-S145 PolarHBondContact O-N 3.05Å; G141-S145 PolarHBondContact O-OG 2.92Å; T142-S145 PolarHBondContact O-N 2.81Å; T142-S145 PolarHBondContact O-OG 2.71Å; T142-S145 VanDerWaalsContact O-OG 3.1Å; S145-N147 VanDerWaalsContact C-N 3.29Å; S145-N147 PolarHBondContact O-N 3.47Å
146	Q	84.3	Confident	83.9	Confident	68 Å²	68	43.4 Å²	43.4	32%	0.318	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	5.5	174.3	-65.1	-168.7	-17.4	0	0	114.1	T142 I144 I148	T142-Q146 HydrophobicContact CG2-CG 4.47Å; T142-Q146 WeakPolarHBondContact O-CB 3.48Å; T142-Q146 WeakPolarHBondContact O-CG 3.17Å; T142-Q146 PolarHBondContact O-N 3.49Å; I144-Q146 PolarHBondContact O-N 3.12Å; Q146-I148 HydrophobicContact CB-CD1 3.92Å; Q146-I148 HydrophobicContact CB-CG1 3.98Å; Q146-I148 PolarHBondContact O-N 3.49Å; Q146-I148 VanDerWaalsContact O-N 3.16Å; Q146-I148 VanDerWaalsContact OE1-CD1 3.32Å
147	N	85	Confident	82.8	Confident	115 Å²	115	47.3 Å²	47.3	62%	0.615	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	21.4	-176.5	-67.2	-60.4	0	0	0	114.4	I144 S145 Q150	I144-N147 PolarHBondContact O-N 3.15Å; S145-N147 VanDerWaalsContact C-N 3.29Å; S145-N147 PolarHBondContact O-N 3.47Å; N147-Q150 PolarHBondContact O-NE2 3.03Å
148	I	87.4	Confident	82.1	Confident	33 Å²	33	49 Å²	49	17%	0.169	26%	0.264	C	S	.	.	S	Bend	trans	-76.4	-41.7	175	-61	169.5	0	0	0	109.7	I117 R118 L143 Q146 F167	I117-I148 HydrophobicContact CG2-CD1 4.4Å; R118-I148 HydrophobicContact CG-CD1 3.9Å; R118-I148 HydrophobicContact CG-CG1 4.27Å; L143-I148 HydrophobicContact CD2-CB 4.03Å; L143-I148 HydrophobicContact CD2-CD1 3.98Å; L143-I148 HydrophobicContact CD2-CG2 3.82Å; L143-I148 PolarHBondContact O-N 3.31Å; Q146-I148 HydrophobicContact CB-CD1 3.92Å; Q146-I148 HydrophobicContact CB-CG1 3.98Å; Q146-I148 PolarHBondContact O-N 3.49Å; Q146-I148 VanDerWaalsContact O-N 3.16Å; Q146-I148 VanDerWaalsContact OE1-CD1 3.32Å; I148-F167 HydrophobicContact CG2-CE2 4.11Å; I148-F167 HydrophobicContact CG2-CZ 3.92Å
149	L	84.4	Confident	81.3	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.016	27%	0.266	C	S	.	.	S	Bend	trans	-106.2	118.5	173.4	-175.9	161.4	0	0	0	109	L143 I144 W151 A163 V164 F167	L143-L149 HydrophobicContact CB-CB 3.81Å; L143-L149 PolarHBondContact O-N 2.99Å; I144-L149 HydrophobicContact CD1-CD2 4.24Å; I144-L149 HydrophobicContact CG1-CB 4.47Å; I144-L149 HydrophobicContact CG1-CD2 3.71Å; L149-W151 HydrophobicContact CD2-CB 3.96Å; L149-A163 HydrophobicContact CD1-CB 4.43Å; L149-A163 HydrophobicContact CD2-CB 3.41Å; L149-A163 VanDerWaalsContact CD2-CB 3.41Å; L149-A163 HydrophobicContact CG-CB 4.26Å; L149-V164 HydrophobicContact CD1-CG2 4.18Å; L149-F167 HydrophobicContact CB-CD2 4.22Å; L149-F167 HydrophobicContact CB-CE2 4.34Å; L149-F167 HydrophobicContact CD1-CB 3.97Å; L149-F167 HydrophobicContact CD1-CD1 4.22Å; L149-F167 HydrophobicContact CD1-CD2 4.41Å; L149-F167 HydrophobicContact CD1-CG 3.96Å; L149-F167 HydrophobicContact CG-CB 4.3Å; L149-F167 HydrophobicContact CG-CD2 4.2Å; L149-F167 HydrophobicContact CG-CG 4.22Å
150	Q	81.4	Confident	80.4	Confident	137 Å²	137	52.1 Å²	52.1	64%	0.64	28%	0.279	S	S	*	.			trans	-91.2	121.2	-179.4	-64.7	-65.6	-39.5	0	0	110	N147	N147-Q150 PolarHBondContact O-NE2 3.03Å
151	W	79.9	Confident	79.1	Confident	17 Å²	17	58.1 Å²	58.1	6%	0.064	31%	0.307	C	S	.	.			trans	-141.7	131.3	178	177.7	53.2	0	0	0	110.2	I144 L149 G153 I154 K157 I159 A163 L328 K330	I144-W151 HydrophobicContact CD1-CE3 3.91Å; L149-W151 HydrophobicContact CD2-CB 3.96Å; W151-G153 PolarHBondContact NE1-O 2.97Å; W151-I154 HydrophobicContact CH2-CB 3.9Å; W151-I154 VanDerWaalsContact CH2-N 3.34Å; W151-I154 VanDerWaalsContact CZ2-CA 3.45Å; W151-I154 HydrophobicContact CZ2-CB 3.92Å; W151-K157 WeakPolarHBondContact CZ2-O 3.37Å; W151-K157 PolarHBondContact NE1-O 3.49Å; W151-I159 HydrophobicContact CD2-CB 4.34Å; W151-I159 HydrophobicContact CD2-CG1 4.26Å; W151-I159 HydrophobicContact CE3-CD1 4.21Å; W151-I159 HydrophobicContact CE3-CG1 4.41Å; W151-I159 HydrophobicContact CH2-CB 4.05Å; W151-I159 HydrophobicContact CZ2-CB 3.76Å; W151-I159 HydrophobicContact CZ3-CB 4.45Å; W151-I159 HydrophobicContact CZ3-CD1 4.29Å; W151-A163 HydrophobicContact CB-CB 3.79Å; W151-A163 HydrophobicContact CG-CB 3.93Å; W151-L328 WeakPolarHBondContact CH2-O 3.47Å; W151-L328 WeakPolarHBondContact CZ3-O 3.42Å; W151-K330 HydrophobicContact CE3-CD 3.88Å; W151-K330 HydrophobicContact CE3-CG 4.08Å; W151-K330 HydrophobicContact CH2-CB 4.36Å; W151-K330 HydrophobicContact CZ3-CB 3.92Å; W151-K330 HydrophobicContact CZ3-CD 4.1Å; W151-K330 HydrophobicContact CZ3-CG 3.85Å; W151-K330 VanDerWaalsContact O-CE 3.31Å; W151-K330 WeakPolarHBondContact O-CE 3.27Å; W151-K330 PolarHBondContact O-NZ 2.94Å
152	A	72	Confident	77.9	Confident	69 Å²	69	58.3 Å²	58.3	57%	0.57	31%	0.308	S	S	*	.			trans	-73.8	-29.5	-175.7	0	0	0	0	0	113.1	D156 K330	A152-D156 HydrophobicContact CB-CB 4.08Å; A152-K330 VanDerWaalsContact C-NZ 3.28Å; A152-K330 VanDerWaalsContact O-CD 3.3Å; A152-K330 WeakPolarHBondContact O-CD 3.37Å; A152-K330 PolarHBondContact O-NZ 2.69Å
153	G	71.7	Confident	76.7	Confident	6 Å²	6	58 Å²	58	6%	0.062	31%	0.306	C	S	.	.			trans	134	171.1	178.5	0	0	0	0	0	112.7	W151 E155 D156 K157	W151-G153 PolarHBondContact NE1-O 2.97Å; G153-E155 PolarHBondContact O-N 3.42Å; G153-D156 PolarHBondContact O-N 3.4Å; G153-D156 VanDerWaalsContact O-N 3.16Å; G153-K157 PolarHBondContact O-N 2.79Å
154	I	73.8	Confident	75.7	Confident	90 Å²	90	57.9 Å²	57.9	46%	0.462	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.6	-175.1	-159.3	162.7	0	0	0	112.8	W151 D156 R329	W151-I154 HydrophobicContact CH2-CB 3.9Å; W151-I154 VanDerWaalsContact CH2-N 3.34Å; W151-I154 VanDerWaalsContact CZ2-CA 3.45Å; W151-I154 HydrophobicContact CZ2-CB 3.92Å; I154-D156 VanDerWaalsContact C-N 3.25Å; I154-D156 PolarHBondContact O-N 3.02Å; I154-R329 VanDerWaalsContact CB-O 3.26Å; I154-R329 WeakPolarHBondContact CB-O 3.38Å; I154-R329 WeakPolarHBondContact CG2-O 3.16Å
155	E	69.4	Low	74.9	Confident	146 Å²	146	58.1 Å²	58.1	68%	0.682	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-29.1	174.2	-64.4	-173.7	-176.8	0	0	112.7	G153 Q332	G153-E155 PolarHBondContact O-N 3.42Å; E155-Q332 PolarHBondContact OE1-NE2 3.34Å
156	D	72.8	Confident	74.8	Confident	101 Å²	101	58.9 Å²	58.9	54%	0.54	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-57.3	174.1	178.9	43.3	0	0	0	109.9	A152 G153 I154	A152-D156 HydrophobicContact CB-CB 4.08Å; G153-D156 PolarHBondContact O-N 3.4Å; G153-D156 VanDerWaalsContact O-N 3.16Å; I154-D156 VanDerWaalsContact C-N 3.25Å; I154-D156 PolarHBondContact O-N 3.02Å
157	K	72.3	Confident	75.1	Confident	87 Å²	87	57.1 Å²	57.1	38%	0.378	30%	0.302	S	S	.	.	S	Bend	trans	-167.5	151.6	-179.6	29.6	173.7	-172.3	163.6	0	111.3	W151 G153 A162	W151-K157 WeakPolarHBondContact CZ2-O 3.37Å; W151-K157 PolarHBondContact NE1-O 3.49Å; G153-K157 PolarHBondContact O-N 2.79Å; K157-A162 HydrophobicContact CB-CB 3.83Å; K157-A162 HydrophobicContact CD-CB 3.25Å; K157-A162 VanDerWaalsContact CE-CB 3.44Å; K157-A162 HydrophobicContact CG-CB 3.29Å; K157-A162 PolarHBondContact NZ-O 3.33Å
158	P	76.8	Confident	75.5	Confident	48 Å²	48	51.7 Å²	51.7	31%	0.312	27%	0.273	S	S	.	.			trans	-53.6	140.5	176.5	-23	32.8	0	0	0	111.5	E160 E161 A162	P158-E160 WeakPolarHBondContact CB-OE2 3.32Å; P158-E160 PolarHBondContact O-N 3.39Å; P158-E161 HydrophobicContact CB-CG 4.44Å; P158-E161 PolarHBondContact O-N 3.2Å; P158-A162 WeakPolarHBondContact O-CB 3Å; P158-A162 PolarHBondContact O-N 2.79Å
159	I	77.1	Confident	75.8	Confident	8 Å²	8	55.3 Å²	55.3	4%	0.041	29%	0.29	C	S	.	.	H	α-helix	trans	-57.2	-35.7	-175.9	-172.2	170	0	0	0	112.5	I140 I144 W151 A163 V164 L328	I140-I159 HydrophobicContact CG2-CD1 3.41Å; I140-I159 VanDerWaalsContact CG2-CD1 3.41Å; I140-I159 HydrophobicContact CG2-CG1 4.14Å; I144-I159 HydrophobicContact CD1-CD1 3.28Å; I144-I159 HydrophobicContact CD1-CG1 4.27Å; W151-I159 HydrophobicContact CD2-CB 4.34Å; W151-I159 HydrophobicContact CD2-CG1 4.26Å; W151-I159 HydrophobicContact CE3-CD1 4.21Å; W151-I159 HydrophobicContact CE3-CG1 4.41Å; W151-I159 HydrophobicContact CH2-CB 4.05Å; W151-I159 HydrophobicContact CZ2-CB 3.76Å; W151-I159 HydrophobicContact CZ3-CB 4.45Å; W151-I159 HydrophobicContact CZ3-CD1 4.29Å; I159-A163 HydrophobicContact CG1-CB 4.47Å; I159-A163 PolarHBondContact O-N 3.42Å; I159-V164 HydrophobicContact CG1-CG2 4.15Å; I159-V164 PolarHBondContact O-N 3.47Å; I159-V164 VanDerWaalsContact O-N 3.15Å; I159-L328 HydrophobicContact CD1-CD2 3.62Å
160	E	74.5	Confident	76.3	Confident	58 Å²	58	55.3 Å²	55.3	27%	0.271	29%	0.29	S	S	.	.	I	π-helix	trans	-58.3	-48.1	176.5	-61	79.8	-175.1	0	0	111.2	L130 W136 P158 S165 L182	L130-E160 HydrophobicContact CD1-CG 3.75Å; L130-E160 HydrophobicContact CD2-CG 4.35Å; W136-E160 HydrophobicContact CH2-CG 4.48Å; W136-E160 HydrophobicContact CZ2-CG 3.91Å; P158-E160 WeakPolarHBondContact CB-OE2 3.32Å; P158-E160 PolarHBondContact O-N 3.39Å; E160-S165 WeakPolarHBondContact O-CB 3.34Å; E160-S165 PolarHBondContact O-N 3.15Å; E160-L182 HydrophobicContact CB-CD1 3.79Å; E160-L182 HydrophobicContact CG-CD1 4.42Å
161	E	66	Low	77	Confident	126 Å²	126	48.9 Å²	48.9	59%	0.589	26%	0.26	S	S	*	.	I	π-helix	trans	-81.7	-36	-176.3	-64.7	-174	174.4	0	0	111.7	P158 S165	P158-E161 HydrophobicContact CB-CG 4.44Å; P158-E161 PolarHBondContact O-N 3.2Å; E161-S165 PolarHBondContact O-OG 3.32Å
162	A	61.4	Low	77.9	Confident	5 Å²	5	48.1 Å²	48.1	4%	0.041	26%	0.257	C	S	.	.	I	π-helix	trans	-84.1	-43.8	-165.9	0	0	0	0	0	115.4	K157 P158 T166	K157-A162 HydrophobicContact CB-CB 3.83Å; K157-A162 HydrophobicContact CD-CB 3.25Å; K157-A162 VanDerWaalsContact CE-CB 3.44Å; K157-A162 HydrophobicContact CG-CB 3.29Å; K157-A162 PolarHBondContact NZ-O 3.33Å; P158-A162 WeakPolarHBondContact O-CB 3Å; P158-A162 PolarHBondContact O-N 2.79Å; A162-T166 PolarHBondContact O-OG1 3.3Å
163	A	62.8	Low	79	Confident	3 Å²	3	44.8 Å²	44.8	3%	0.025	23%	0.23	C	C	.	.	I	π-helix	trans	-127.1	-43.8	-157.2	0	0	0	0	0	110.7	L149 W151 I159 T166 F167	L149-A163 HydrophobicContact CD1-CB 4.43Å; L149-A163 HydrophobicContact CD2-CB 3.41Å; L149-A163 VanDerWaalsContact CD2-CB 3.41Å; L149-A163 HydrophobicContact CG-CB 4.26Å; W151-A163 HydrophobicContact CB-CB 3.79Å; W151-A163 HydrophobicContact CG-CB 3.93Å; I159-A163 HydrophobicContact CG1-CB 4.47Å; I159-A163 PolarHBondContact O-N 3.42Å; A163-T166 PolarHBondContact O-OG1 3.02Å; A163-F167 WeakPolarHBondContact O-CB 3.47Å; A163-F167 PolarHBondContact O-N 3.1Å
164	V	68.8	Low	80.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.227	C	C	.	.	I	π-helix	trans	-77.3	-40.7	-179	-170.6	0	0	0	0	111.4	W136 I140 L149 I159 T166 F167 F168 L182	W136-V164 HydrophobicContact CH2-CB 3.98Å; W136-V164 HydrophobicContact CH2-CG1 3.73Å; W136-V164 HydrophobicContact CH2-CG2 3.96Å; W136-V164 HydrophobicContact CZ2-CG2 4.12Å; W136-V164 HydrophobicContact CZ3-CG1 4.06Å; I140-V164 HydrophobicContact CD1-CG1 3.93Å; I140-V164 HydrophobicContact CD1-CG2 3.87Å; I140-V164 HydrophobicContact CG1-CG2 4.26Å; I140-V164 HydrophobicContact CG2-CG2 3.84Å; L149-V164 HydrophobicContact CD1-CG2 4.18Å; I159-V164 HydrophobicContact CG1-CG2 4.15Å; I159-V164 PolarHBondContact O-N 3.47Å; I159-V164 VanDerWaalsContact O-N 3.15Å; V164-T166 PolarHBondContact O-N 3.2Å; V164-F167 PolarHBondContact O-N 3.22Å; V164-F168 HydrophobicContact CG1-CD2 3.67Å; V164-F168 HydrophobicContact CG1-CE2 3.97Å; V164-F168 PolarHBondContact O-N 2.96Å; V164-F168 VanDerWaalsContact O-N 3.1Å; V164-L182 HydrophobicContact CB-CD2 4.13Å; V164-L182 HydrophobicContact CG1-CD2 3.67Å
165	S	70.3	Confident	81	Confident	23 Å²	23	41.9 Å²	41.9	16%	0.161	22%	0.222	C	C	.	.	H	α-helix	trans	-65.5	-22	177	81.6	0	0	0	0	114	E160 E161 K181	E160-S165 WeakPolarHBondContact O-CB 3.34Å; E160-S165 PolarHBondContact O-N 3.15Å; E161-S165 PolarHBondContact O-OG 3.32Å; S165-K181 WeakPolarHBondContact O-CD 3.33Å; S165-K181 PolarHBondContact O-NZ 2.93Å
166	T	79.8	Confident	82	Confident	94 Å²	94	35.6 Å²	35.6	58%	0.577	20%	0.195	S	C	*	.	H	α-helix	trans	-99.1	-31.3	179.5	53.7	0	0	0	0	112	A162 A163 V164	A162-T166 PolarHBondContact O-OG1 3.3Å; A163-T166 PolarHBondContact O-OG1 3.02Å; V164-T166 PolarHBondContact O-N 3.2Å
167	F	89.4	Confident	82.8	Confident	30 Å²	30	35.5 Å²	35.5	13%	0.132	20%	0.198	C	C	.	.	H	α-helix	trans	-71.3	-48.5	177.3	-178.7	-96.8	0	0	0	112.3	L120 G121 G122 L143 I148 L149 A163 V164	L120-F167 HydrophobicContact CB-CE1 3.78Å; L120-F167 HydrophobicContact CB-CZ 3.93Å; G121-F167 VanDerWaalsContact N-CZ 3.33Å; G122-F167 PolarHBondContact N-O 3.38Å; L143-F167 HydrophobicContact CD1-CE1 4.05Å; I148-F167 HydrophobicContact CG2-CE2 4.11Å; I148-F167 HydrophobicContact CG2-CZ 3.92Å; L149-F167 HydrophobicContact CB-CD2 4.22Å; L149-F167 HydrophobicContact CB-CE2 4.34Å; L149-F167 HydrophobicContact CD1-CB 3.97Å; L149-F167 HydrophobicContact CD1-CD1 4.22Å; L149-F167 HydrophobicContact CD1-CD2 4.41Å; L149-F167 HydrophobicContact CD1-CG 3.96Å; L149-F167 HydrophobicContact CG-CB 4.3Å; L149-F167 HydrophobicContact CG-CD2 4.2Å; L149-F167 HydrophobicContact CG-CG 4.22Å; A163-F167 WeakPolarHBondContact O-CB 3.47Å; A163-F167 PolarHBondContact O-N 3.1Å; V164-F167 PolarHBondContact O-N 3.22Å
168	F	93.4	Very high	83.5	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.009	22%	0.216	C	C	.	.	S	Bend	trans	-87.4	148.1	174.4	-66.2	-69.4	0	0	0	111	L120 K123 S125 I140 L143 V164 F217	L120-F168 HydrophobicContact CB-CE1 4.13Å; K123-F168 CarbonylContact O-C 3.47Å; K123-F168 WeakPolarHBondContact O-CA 3.26Å; K123-F168 WeakPolarHBondContact O-CB 3.48Å; K123-F168 WeakPolarHBondContact O-CD1 3.39Å; S125-F168 WeakPolarHBondContact OG-CG 3.31Å; I140-F168 HydrophobicContact CD1-CE2 4.22Å; L143-F168 HydrophobicContact CD1-CZ 4.24Å; V164-F168 HydrophobicContact CG1-CD2 3.67Å; V164-F168 HydrophobicContact CG1-CE2 3.97Å; V164-F168 PolarHBondContact O-N 2.96Å; V164-F168 VanDerWaalsContact O-N 3.1Å; F168-F217 HydrophobicContact CZ-CE2 4.02Å; F168-F217 HydrophobicContact CZ-CZ 4.18Å
169	Q	94	Very high	83.8	Confident	109 Å²	109	42.3 Å²	42.3	51%	0.509	24%	0.239	S	C	.	.	S	Bend	trans	-63.4	-48.1	175.5	-180	-177	33.3	0	0	110.7	G122 K123 K124	G122-Q169 WeakPolarHBondContact O-CB 3.27Å; K123-Q169 PolarHBondContact O-N 3.28Å; K124-Q169 VanDerWaalsContact CE-OE1 3.26Å; K124-Q169 HydrophobicContact CG-CB 4.41Å
170	A	94.9	Very high	84.4	Confident	2 Å²	2	43.6 Å²	43.6	2%	0.017	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	153.8	177.5	0	0	0	0	0	108.5	K124 S125 E184 L185	K124-A170 VanDerWaalsContact CA-O 3.27Å; K124-A170 WeakPolarHBondContact CA-O 3.09Å; S125-A170 PolarHBondContact N-O 3.06Å; S125-A170 VanDerWaalsContact N-O 3.16Å; A170-E184 HydrophobicContact CB-CB 4.15Å; A170-E184 HydrophobicContact CB-CG 4.22Å; A170-L185 HydrophobicContact CB-CD1 4.24Å; A170-L185 HydrophobicContact CB-CD2 3.76Å; A170-L185 HydrophobicContact CB-CG 3.85Å; A170-L185 WeakPolarHBondContact O-CD1 3.44Å
171	S	96.5	Very high	85.2	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.014	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	162.7	179	-50.3	0	0	0	0	112.4	S125 K181 L182 C183 E184 L185	S125-S171 CarbonylContact O-C 3.45Å; S125-S171 WeakPolarHBondContact O-CA 3.42Å; S125-S171 WeakPolarHBondContact O-CB 3.47Å; S125-S171 WeakPolarHBondContact OG-CB 3.17Å; S125-S171 PolarHBondContact OG-OG 3.4Å; S171-K181 PolarHBondContact N-O 3.23Å; S171-L182 CarbonylContact C-O 3.37Å; S171-L182 CarbonylContact O-C 3.24Å; S171-L182 VanDerWaalsContact O-C 3.24Å; S171-C183 CarbonylContact O-C 3.52Å; S171-E184 PolarHBondContact O-N 2.91Å; S171-L185 PolarHBondContact O-N 2.67Å
172	C	97.4	Very high	86.5	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.007	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	109.3	152.4	-178.3	0	0	0	0	109.5	S125 H127 L182 L185 C186 Y198	S125-C172 PolarHBondContact O-N 2.96Å; H127-C172 WeakPolarHBondContact CB-O 3.38Å; H127-C172 PolarHBondContact N-O 3.18Å; C172-L182 CarbonylContact C-O 3.57Å; C172-L182 WeakPolarHBondContact CA-O 3.45Å; C172-L185 HydrophobicContact CB-CB 3.99Å; C172-C186 WeakPolarHBondContact CA-SG 3.45Å; C172-C186 HydrophobicContact CB-CB 4.03Å; C172-C186 WeakPolarHBondContact CB-SG 3.3Å; C172-C186 WeakPolarHBondContact SG-CA 3.46Å; C172-C186 WeakPolarHBondContact SG-CB 3.35Å; C172-C186 CovalentContact SG-SG 2.05Å; C172-C186 PolarHBondContact SG-SG 3.04Å; C172-Y198 HydrophobicContact CB-CD2 4.29Å
173	A	96.1	Very high	88.1	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.232	C	C	.	.			trans	-126.4	84.9	176	0	0	0	0	0	109.3	H127 W136 G175 A176 L182	H127-A173 HydrophobicContact CB-CB 4.17Å; W136-A173 HydrophobicContact CE3-CB 4.26Å; W136-A173 HydrophobicContact CZ3-CB 3.84Å; A173-G175 PolarHBondContact O-N 3.42Å; A173-A176 VanDerWaalsContact O-CB 3.28Å; A173-A176 WeakPolarHBondContact O-CB 3.12Å; A173-A176 PolarHBondContact O-N 3.11Å; A173-A176 VanDerWaalsContact O-N 3.07Å; A173-L182 HydrophobicContact CB-CB 4.24Å; A173-L182 PolarHBondContact N-O 3.38Å
174	P	95.3	Very high	89.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	128.7	-178.6	-24.6	31.7	0	0	0	112	H127 G129 L130 C190 S191 R192 E196 Y199	H127-P174 VanDerWaalsContact O-CD 3.26Å; H127-P174 WeakPolarHBondContact O-CD 3.34Å; G129-P174 CarbonylContact C-O 3.46Å; G129-P174 VanDerWaalsContact CA-O 3.24Å; G129-P174 WeakPolarHBondContact CA-O 3.4Å; L130-P174 PolarHBondContact N-O 2.76Å; P174-C190 CarbonylContact C-O 3.59Å; P174-C190 WeakPolarHBondContact CA-O 3.35Å; P174-S191 WeakPolarHBondContact CB-O 2.85Å; P174-R192 WeakPolarHBondContact O-CG 3.35Å; P174-E196 HydrophobicContact CB-CG 4.23Å; P174-E196 HydrophobicContact CG-CG 3.94Å; P174-Y199 HydrophobicContact CB-CD2 3.78Å; P174-Y199 HydrophobicContact CG-CD2 4.18Å
175	G	91.7	Very high	91	Very high	35 Å²	35	47.2 Å²	47.2	36%	0.361	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.3	-11.5	-173.7	0	0	0	0	0	114.7	A173 C190	A173-G175 PolarHBondContact O-N 3.42Å; G175-C190 PolarHBondContact N-O 2.94Å
176	A	91.6	Very high	92.3	Very high	13 Å²	13	47.1 Å²	47.1	11%	0.107	26%	0.264	C	S	.	.	S	Bend	trans	-72.4	166.7	172.6	0	0	0	0	0	112	A173 R178 L182	A173-A176 VanDerWaalsContact O-CB 3.28Å; A173-A176 WeakPolarHBondContact O-CB 3.12Å; A173-A176 PolarHBondContact O-N 3.11Å; A173-A176 VanDerWaalsContact O-N 3.07Å; A176-R178 PolarHBondContact O-N 3.1Å; A176-L182 HydrophobicContact CB-CB 3.61Å; A176-L182 HydrophobicContact CB-CD1 3.99Å; A176-L182 HydrophobicContact CB-CG 4.48Å
177	T	88.4	Confident	93	Very high	99 Å²	99	48.3 Å²	48.3	61%	0.607	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-59.4	123.6	177.9	-55.4	0	0	0	0	110.6	G179 S180	T177-G179 PolarHBondContact O-N 2.68Å; T177-S180 WeakPolarHBondContact O-CB 3.31Å; T177-S180 PolarHBondContact O-N 2.96Å; T177-S180 VanDerWaalsContact O-N 3.08Å; T177-S180 PolarHBondContact O-OG 2.92Å
178	R	86.6	Confident	93.2	Very high	201 Å²	201	48.8 Å²	48.8	76%	0.758	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	135.1	-180	-172	176.2	-179.4	172.4	2.3	110.9	A176 S180	A176-R178 PolarHBondContact O-N 3.1Å; R178-S180 VanDerWaalsContact C-N 3.26Å; R178-S180 PolarHBondContact O-N 3.36Å
179	G	84.3	Confident	93.1	Very high	77 Å²	77	51 Å²	51	79%	0.794	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	-1.4	-177.7	0	0	0	0	0	114.7	T177	T177-G179 PolarHBondContact O-N 2.68Å
180	S	90.1	Very high	93.1	Very high	36 Å²	36	46.1 Å²	46.1	25%	0.252	27%	0.265	S	S	.	.	S	Bend	trans	-75.2	162.9	167.9	71.7	0	0	0	0	111.4	T177 R178 L182 C183 E184	T177-S180 WeakPolarHBondContact O-CB 3.31Å; T177-S180 PolarHBondContact O-N 2.96Å; T177-S180 VanDerWaalsContact O-N 3.08Å; T177-S180 PolarHBondContact O-OG 2.92Å; R178-S180 VanDerWaalsContact C-N 3.26Å; R178-S180 PolarHBondContact O-N 3.36Å; S180-L182 PolarHBondContact O-N 3.21Å; S180-L182 VanDerWaalsContact O-N 3.07Å; S180-L182 PolarHBondContact OG-N 3.02Å; S180-C183 PolarHBondContact O-N 3.04Å; S180-E184 PolarHBondContact O-N 3.18Å
181	K	91.3	Very high	92.9	Very high	99 Å²	99	47 Å²	47	43%	0.43	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-55.1	-24.2	171.2	-75.2	-175	166.9	-164.9	0	113.8	S165 S171 C183 E184	S165-K181 WeakPolarHBondContact O-CD 3.33Å; S165-K181 PolarHBondContact O-NZ 2.93Å; S171-K181 PolarHBondContact N-O 3.23Å; K181-C183 VanDerWaalsContact C-N 3.25Å; K181-C183 PolarHBondContact O-N 3.35Å; K181-E184 PolarHBondContact O-N 3.22Å
182	L	93.3	Very high	92.7	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.026	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-73.7	-16.7	177.7	-64.9	-178.9	0	0	0	113.2	W136 E160 V164 S171 C172 A173 A176 S180	W136-L182 HydrophobicContact CH2-CD1 3.96Å; W136-L182 HydrophobicContact CH2-CD2 4.24Å; W136-L182 HydrophobicContact CZ3-CD2 4.45Å; E160-L182 HydrophobicContact CB-CD1 3.79Å; E160-L182 HydrophobicContact CG-CD1 4.42Å; V164-L182 HydrophobicContact CB-CD2 4.13Å; V164-L182 HydrophobicContact CG1-CD2 3.67Å; S171-L182 CarbonylContact C-O 3.37Å; S171-L182 CarbonylContact O-C 3.24Å; S171-L182 VanDerWaalsContact O-C 3.24Å; C172-L182 CarbonylContact C-O 3.57Å; C172-L182 WeakPolarHBondContact CA-O 3.45Å; A173-L182 HydrophobicContact CB-CB 4.24Å; A173-L182 PolarHBondContact N-O 3.38Å; A176-L182 HydrophobicContact CB-CB 3.61Å; A176-L182 HydrophobicContact CB-CD1 3.99Å; A176-L182 HydrophobicContact CB-CG 4.48Å; S180-L182 PolarHBondContact O-N 3.21Å; S180-L182 VanDerWaalsContact O-N 3.07Å; S180-L182 PolarHBondContact OG-N 3.02Å
183	C	95.1	Very high	92.3	Very high	14 Å²	14	49.3 Å²	49.3	10%	0.095	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-111.6	2.4	176.5	-70.2	0	0	0	0	112.8	S171 S180 K181 L185 C186 C190	S171-C183 CarbonylContact O-C 3.52Å; S180-C183 PolarHBondContact O-N 3.04Å; K181-C183 VanDerWaalsContact C-N 3.25Å; K181-C183 PolarHBondContact O-N 3.35Å; C183-L185 VanDerWaalsContact C-N 3.29Å; C183-L185 PolarHBondContact O-N 3.34Å; C183-C186 WeakPolarHBondContact O-CB 3.47Å; C183-C186 PolarHBondContact O-N 3.07Å; C183-C186 VanDerWaalsContact O-N 3.12Å; C183-C190 VanDerWaalsContact CA-SG 3.59Å; C183-C190 HydrophobicContact CB-CB 3.65Å; C183-C190 WeakPolarHBondContact CB-SG 3.47Å; C183-C190 WeakPolarHBondContact SG-CB 3.38Å; C183-C190 CovalentContact SG-SG 2.04Å; C183-C190 PolarHBondContact SG-SG 3.35Å
184	E	95.4	Very high	91.9	Very high	126 Å²	126	51.1 Å²	51.1	59%	0.589	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-32.4	-171.5	-174.3	177.3	157.4	0	0	112.8	A170 S171 S180 K181	A170-E184 HydrophobicContact CB-CB 4.15Å; A170-E184 HydrophobicContact CB-CG 4.22Å; S171-E184 PolarHBondContact O-N 2.91Å; S180-E184 PolarHBondContact O-N 3.18Å; K181-E184 PolarHBondContact O-N 3.22Å
185	L	97.1	Very high	91.5	Very high	24 Å²	24	56.5 Å²	56.5	13%	0.126	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-6.7	177.5	-52	177.7	0	0	0	113.3	K124 A170 S171 C172 C183 Y198 A212	K124-L185 HydrophobicContact CB-CD1 3.79Å; K124-L185 HydrophobicContact CD-CD1 4.34Å; K124-L185 HydrophobicContact CD-CD2 4.14Å; K124-L185 HydrophobicContact CG-CD1 4.27Å; A170-L185 HydrophobicContact CB-CD1 4.24Å; A170-L185 HydrophobicContact CB-CD2 3.76Å; A170-L185 HydrophobicContact CB-CG 3.85Å; A170-L185 WeakPolarHBondContact O-CD1 3.44Å; S171-L185 PolarHBondContact O-N 2.67Å; C172-L185 HydrophobicContact CB-CB 3.99Å; C183-L185 VanDerWaalsContact C-N 3.29Å; C183-L185 PolarHBondContact O-N 3.34Å; L185-Y198 WeakPolarHBondContact O-CD2 3.38Å; L185-Y198 VanDerWaalsContact O-CE2 3.23Å; L185-Y198 WeakPolarHBondContact O-CE2 3.28Å; L185-A212 WeakPolarHBondContact CD1-O 3.48Å
186	C	97.1	Very high	91.5	Very high	20 Å²	20	54.8 Å²	54.8	14%	0.135	29%	0.291	C	S	.	.			trans	-69.1	144.9	-178.4	-69.7	0	0	0	0	111.2	C172 C183 C190 E196	C172-C186 WeakPolarHBondContact CA-SG 3.45Å; C172-C186 HydrophobicContact CB-CB 4.03Å; C172-C186 WeakPolarHBondContact CB-SG 3.3Å; C172-C186 WeakPolarHBondContact SG-CA 3.46Å; C172-C186 WeakPolarHBondContact SG-CB 3.35Å; C172-C186 CovalentContact SG-SG 2.05Å; C172-C186 PolarHBondContact SG-SG 3.04Å; C183-C186 WeakPolarHBondContact O-CB 3.47Å; C183-C186 PolarHBondContact O-N 3.07Å; C183-C186 VanDerWaalsContact O-N 3.12Å; C186-C190 HydrophobicContact CB-CB 4.12Å; C186-C190 PolarHBondContact SG-SG 3.16Å; C186-E196 WeakPolarHBondContact CB-OE2 3.37Å
187	K	95.1	Very high	91.7	Very high	119 Å²	119	57.5 Å²	57.5	52%	0.517	31%	0.307	S	S	.	.	S	Bend	trans	-91.7	-25.9	-172.1	-168.4	170.1	-174.5	165.5	0	112.3	E196 P197 Y198 E210	K187-E196 PolarHBondContact N-OE1 3.36Å; K187-P197 HydrophobicContact CB-CB 4.29Å; K187-P197 HydrophobicContact CB-CG 4.15Å; K187-P197 HydrophobicContact CD-CB 4.16Å; K187-P197 HydrophobicContact CD-CG 4.3Å; K187-P197 HydrophobicContact CG-CG 4.27Å; K187-Y198 HydrophobicContact CB-CD2 4.23Å; K187-Y198 HydrophobicContact CB-CE2 4.15Å; K187-Y198 HydrophobicContact CB-CG 4.48Å; K187-Y198 HydrophobicContact CD-CE1 4.18Å; K187-E210 IonicContact NZ-OE1 3.56Å; K187-E210 PolarHBondContact NZ-OE1 3.12Å; K187-E210 IonicContact NZ-OE2 2.77Å; K187-E210 PolarHBondContact NZ-OE2 3.27Å
188	G	92.4	Very high	92	Very high	41 Å²	41	53.4 Å²	53.4	42%	0.423	28%	0.281	S	S	.	.	S	Bend	trans	-113.4	-134	-178.1	0	0	0	0	0	112.7	C190 E196	G188-C190 VanDerWaalsContact C-N 3.32Å; G188-E196 WeakPolarHBondContact CA-OE2 3.41Å; G188-E196 PolarHBondContact N-OE1 2.86Å; G188-E196 PolarHBondContact N-OE2 2.84Å
189	D	91.3	Very high	92.5	Very high	48 Å²	48	44 Å²	44	26%	0.257	25%	0.245	S	C	.	.			trans	-88.6	3.9	-175.4	69	-6.2	0	0	0	113.8	S191 R195 E196	D189-S191 VanDerWaalsContact CG-OG 3.26Å; D189-S191 PolarHBondContact O-N 3.21Å; D189-S191 WeakPolarHBondContact OD1-CB 3.32Å; D189-S191 PolarHBondContact OD1-N 3.22Å; D189-S191 PolarHBondContact OD1-OG 2.87Å; D189-S191 PolarHBondContact OD2-OG 2.9Å; D189-R195 IonicContact OD2-CZ 3.54Å; D189-R195 IonicContact OD2-NE 2.72Å; D189-R195 PolarHBondContact OD2-NE 3.34Å; D189-R195 VanDerWaalsContact OD2-NE 3.1Å; D189-E196 PolarHBondContact N-OE2 2.83Å
190	C	93.8	Very high	92.9	Very high	7 Å²	7	40.7 Å²	40.7	5%	0.047	21%	0.209	C	C	.	.			trans	57.7	23.5	-172.9	-161.2	0	0	0	0	113.3	P174 G175 C183 C186 G188 E196	P174-C190 CarbonylContact C-O 3.59Å; P174-C190 WeakPolarHBondContact CA-O 3.35Å; G175-C190 PolarHBondContact N-O 2.94Å; C183-C190 VanDerWaalsContact CA-SG 3.59Å; C183-C190 HydrophobicContact CB-CB 3.65Å; C183-C190 WeakPolarHBondContact CB-SG 3.47Å; C183-C190 WeakPolarHBondContact SG-CB 3.38Å; C183-C190 CovalentContact SG-SG 2.04Å; C183-C190 PolarHBondContact SG-SG 3.35Å; C186-C190 HydrophobicContact CB-CB 4.12Å; C186-C190 PolarHBondContact SG-SG 3.16Å; G188-C190 VanDerWaalsContact C-N 3.32Å; C190-E196 PolarHBondContact N-OE2 2.7Å
191	S	91.6	Very high	93.2	Very high	21 Å²	21	39 Å²	39	15%	0.147	20%	0.198	C	C	.	.			trans	-80.3	153.4	177.3	67.8	0	0	0	0	112.5	P174 D189 S193 E196	P174-S191 WeakPolarHBondContact CB-O 2.85Å; D189-S191 VanDerWaalsContact CG-OG 3.26Å; D189-S191 PolarHBondContact O-N 3.21Å; D189-S191 WeakPolarHBondContact OD1-CB 3.32Å; D189-S191 PolarHBondContact OD1-N 3.22Å; D189-S191 PolarHBondContact OD1-OG 2.87Å; D189-S191 PolarHBondContact OD2-OG 2.9Å; S191-S193 PolarHBondContact O-N 2.71Å; S191-S193 PolarHBondContact OG-OG 3.37Å; S191-E196 WeakPolarHBondContact O-CB 3.45Å
192	R	91.5	Very high	93.4	Very high	48 Å²	48	36.9 Å²	36.9	18%	0.181	20%	0.195	C	C	.	.	S	Bend	trans	-74.9	52	170.4	-71.7	-178.3	71.7	-155.5	-4.8	111.9	D76 L130 P174 Y199	D76-R192 VanDerWaalsContact CG-NH2 3.31Å; D76-R192 IonicContact OD1-CZ 3.42Å; D76-R192 IonicContact OD1-NH1 3.7Å; D76-R192 PolarHBondContact OD1-NH1 3.09Å; D76-R192 IonicContact OD1-NH2 2.72Å; D76-R192 PolarHBondContact OD1-NH2 3.07Å; D76-R192 IonicContact OD2-CZ 3.47Å; D76-R192 IonicContact OD2-NH2 3.66Å; D76-R192 PolarHBondContact OD2-NH2 2.83Å; L130-R192 WeakPolarHBondContact O-CD 3.37Å; L130-R192 PolarHBondContact O-NE 2.81Å; L130-R192 PolarHBondContact O-NH1 3.46Å; P174-R192 WeakPolarHBondContact O-CG 3.35Å; R192-Y199 VanDerWaalsContact C-CE2 3.47Å; R192-Y199 VanDerWaalsContact CA-CE2 3.46Å; R192-Y199 HydrophobicContact CB-CD2 4.46Å; R192-Y199 HydrophobicContact CB-CE2 3.79Å; R192-Y199 HydrophobicContact CG-CE2 4.19Å; R192-Y199 PolarHBondContact O-OH 3.01Å
193	S	88.8	Confident	93.5	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.014	20%	0.196	C	C	.	.	S	Bend	trans	-149.8	170.2	-178.2	81.2	0	0	0	0	110.7	S191 R195 E196 Y199	S191-S193 PolarHBondContact O-N 2.71Å; S191-S193 PolarHBondContact OG-OG 3.37Å; S193-R195 PolarHBondContact O-N 2.86Å; S193-R195 WeakPolarHBondContact OG-CB 3.45Å; S193-R195 PolarHBondContact OG-N 2.84Å; S193-E196 PolarHBondContact O-N 3.39Å; S193-E196 VanDerWaalsContact O-N 3.1Å; S193-Y199 VanDerWaalsContact C-CD1 3.43Å; S193-Y199 WeakPolarHBondContact O-CB 3.37Å; S193-Y199 WeakPolarHBondContact O-CD1 3.46Å
194	Q	87.6	Confident	93.6	Very high	38 Å²	38	36.2 Å²	36.2	18%	0.178	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	0.2	176.4	-55.4	-62.6	-27.9	0	0	113.8	E196 A292 K293 L295	Q194-E196 VanDerWaalsContact C-N 3.28Å; Q194-A292 HydrophobicContact CB-CB 4.37Å; Q194-A292 HydrophobicContact CG-CB 4.13Å; Q194-K293 PolarHBondContact NE2-O 2.87Å; Q194-K293 VanDerWaalsContact NE2-O 3.11Å; Q194-L295 HydrophobicContact CG-CD2 3.95Å
195	R	87.2	Confident	93.8	Very high	113 Å²	113	30.8 Å²	30.8	43%	0.426	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-24.4	168.2	-63.3	-168.9	-66	-133.4	-10.2	112.5	E53 D189 S193 P197	E53-R195 IonicContact OE2-CZ 3.22Å; E53-R195 IonicContact OE2-NH1 2.79Å; E53-R195 PolarHBondContact OE2-NH1 3.09Å; E53-R195 VanDerWaalsContact OE2-NH1 3.12Å; E53-R195 IonicContact OE2-NH2 2.81Å; D189-R195 IonicContact OD2-CZ 3.54Å; D189-R195 IonicContact OD2-NE 2.72Å; D189-R195 PolarHBondContact OD2-NE 3.34Å; D189-R195 VanDerWaalsContact OD2-NE 3.1Å; S193-R195 PolarHBondContact O-N 2.86Å; S193-R195 WeakPolarHBondContact OG-CB 3.45Å; S193-R195 PolarHBondContact OG-N 2.84Å; R195-P197 WeakPolarHBondContact O-CD 3.39Å
196	E	92.7	Very high	93.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-96	112.4	171.9	171.8	50.3	-120	0	0	109.5	P174 C186 K187 G188 D189 C190 S191 S193 Q194 Y198 Y199	P174-E196 HydrophobicContact CB-CG 4.23Å; P174-E196 HydrophobicContact CG-CG 3.94Å; C186-E196 WeakPolarHBondContact CB-OE2 3.37Å; K187-E196 PolarHBondContact N-OE1 3.36Å; G188-E196 WeakPolarHBondContact CA-OE2 3.41Å; G188-E196 PolarHBondContact N-OE1 2.86Å; G188-E196 PolarHBondContact N-OE2 2.84Å; D189-E196 PolarHBondContact N-OE2 2.83Å; C190-E196 PolarHBondContact N-OE2 2.7Å; S191-E196 WeakPolarHBondContact O-CB 3.45Å; S193-E196 PolarHBondContact O-N 3.39Å; S193-E196 VanDerWaalsContact O-N 3.1Å; Q194-E196 VanDerWaalsContact C-N 3.28Å; E196-Y198 PolarHBondContact O-N 2.76Å; E196-Y198 WeakPolarHBondContact OE1-CB 3.46Å; E196-Y198 PolarHBondContact OE1-N 2.95Å; E196-Y199 WeakPolarHBondContact O-CB 3.5Å; E196-Y199 PolarHBondContact O-N 3.38Å
197	P	94.2	Very high	93.8	Very high	70 Å²	70	32.2 Å²	32.2	46%	0.455	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.2	-179	-26.6	36	0	0	0	114.8	K187 R195 Y199 G203	K187-P197 HydrophobicContact CB-CB 4.29Å; K187-P197 HydrophobicContact CB-CG 4.15Å; K187-P197 HydrophobicContact CD-CB 4.16Å; K187-P197 HydrophobicContact CD-CG 4.3Å; K187-P197 HydrophobicContact CG-CG 4.27Å; R195-P197 WeakPolarHBondContact O-CD 3.39Å; P197-Y199 VanDerWaalsContact C-N 3.29Å; P197-G203 WeakPolarHBondContact O-CA 3.36Å
198	Y	96.6	Very high	94	Very high	12 Å²	12	26.6 Å²	26.6	5%	0.047	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	13.5	175.8	-65.1	-18.7	0	0	0	113.9	C172 L185 K187 E196 G203 A204 Q206 C207 E210 A212	C172-Y198 HydrophobicContact CB-CD2 4.29Å; L185-Y198 WeakPolarHBondContact O-CD2 3.38Å; L185-Y198 VanDerWaalsContact O-CE2 3.23Å; L185-Y198 WeakPolarHBondContact O-CE2 3.28Å; K187-Y198 HydrophobicContact CB-CD2 4.23Å; K187-Y198 HydrophobicContact CB-CE2 4.15Å; K187-Y198 HydrophobicContact CB-CG 4.48Å; K187-Y198 HydrophobicContact CD-CE1 4.18Å; E196-Y198 PolarHBondContact O-N 2.76Å; E196-Y198 WeakPolarHBondContact OE1-CB 3.46Å; E196-Y198 PolarHBondContact OE1-N 2.95Å; Y198-G203 WeakPolarHBondContact CA-O 3.39Å; Y198-G203 CarbonylContact O-C 3.53Å; Y198-G203 VanDerWaalsContact O-C 3.3Å; Y198-A204 PolarHBondContact O-N 3.29Å; Y198-Q206 HydrophobicContact CD1-CB 4.36Å; Y198-Q206 HydrophobicContact CD1-CG 4.44Å; Y198-Q206 HydrophobicContact CE1-CB 4.37Å; Y198-Q206 HydrophobicContact CE1-CG 4.06Å; Y198-C207 HydrophobicContact CD1-CB 3.87Å; Y198-C207 HydrophobicContact CD2-CB 3.59Å; Y198-C207 HydrophobicContact CE1-CB 4.08Å; Y198-C207 HydrophobicContact CE2-CB 3.8Å; Y198-C207 HydrophobicContact CG-CB 3.62Å; Y198-E210 WeakPolarHBondContact OH-CB 3.18Å; Y198-E210 PolarHBondContact OH-OE2 3.24Å; Y198-A212 HydrophobicContact CE2-CB 3.83Å
199	Y	95.2	Very high	94.2	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.016	14%	0.138	C	C	.	.			trans	-76.2	149.7	176	178	-112.1	0	0	0	113.7	K29 T128 P174 R192 S193 E196 P197 G203	K29-Y199 PolarHBondContact NZ-OH 3.13Å; T128-Y199 WeakPolarHBondContact O-CD2 3.25Å; P174-Y199 HydrophobicContact CB-CD2 3.78Å; P174-Y199 HydrophobicContact CG-CD2 4.18Å; R192-Y199 VanDerWaalsContact C-CE2 3.47Å; R192-Y199 VanDerWaalsContact CA-CE2 3.46Å; R192-Y199 HydrophobicContact CB-CD2 4.46Å; R192-Y199 HydrophobicContact CB-CE2 3.79Å; R192-Y199 HydrophobicContact CG-CE2 4.19Å; R192-Y199 PolarHBondContact O-OH 3.01Å; S193-Y199 VanDerWaalsContact C-CD1 3.43Å; S193-Y199 WeakPolarHBondContact O-CB 3.37Å; S193-Y199 WeakPolarHBondContact O-CD1 3.46Å; E196-Y199 WeakPolarHBondContact O-CB 3.5Å; E196-Y199 PolarHBondContact O-N 3.38Å; P197-Y199 VanDerWaalsContact C-N 3.29Å; Y199-G203 WeakPolarHBondContact O-CA 3.43Å; Y199-G203 PolarHBondContact O-N 3.2Å
200	D	94.6	Very high	94.5	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.037	14%	0.143	C	C	.	.	H	α-helix	trans	62.7	-172.4	178.7	-139.3	-26.6	0	0	0	113.9	T128 K132 G203 A204 K298	T128-D200 WeakPolarHBondContact O-CA 3.46Å; T128-D200 PolarHBondContact O-N 2.75Å; K132-D200 IonicContact NZ-OD1 3.19Å; K132-D200 PolarHBondContact NZ-OD1 2.95Å; K132-D200 IonicContact NZ-OD2 3.71Å; K132-D200 PolarHBondContact NZ-OD2 3.33Å; D200-G203 PolarHBondContact O-N 3.29Å; D200-A204 WeakPolarHBondContact O-CB 3.18Å; D200-A204 PolarHBondContact O-N 3.43Å; D200-K298 IonicContact OD1-NZ 3.93Å; D200-K298 PolarHBondContact OD1-NZ 3.45Å; D200-K298 IonicContact OD2-NZ 3.68Å; D200-K298 PolarHBondContact OD2-NZ 3.26Å
201	Y	95.8	Very high	94.7	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-56.4	-52.6	-175.3	-64.4	-61.6	0	0	0	113.2	Y103 T128 A134 G203 A204 F205 V218 K219 T222 H257 K298	Y103-Y201 PolarHBondContact OH-OH 2.97Å; Y103-Y201 VanDerWaalsContact OH-OH 3.08Å; T128-Y201 HydrophobicContact CG2-CD1 3.54Å; T128-Y201 HydrophobicContact CG2-CE1 3.89Å; T128-Y201 HydrophobicContact CG2-CG 4.29Å; A134-Y201 HydrophobicContact CB-CE1 4.08Å; Y201-G203 PolarHBondContact O-N 3.49Å; Y201-A204 PolarHBondContact O-N 2.7Å; Y201-F205 PolarHBondContact O-N 3.36Å; Y201-F205 VanDerWaalsContact O-N 3.1Å; Y201-V218 HydrophobicContact CD1-CB 4.25Å; Y201-K219 HydrophobicContact CD1-CB 4.14Å; Y201-K219 HydrophobicContact CD1-CD 4.28Å; Y201-K219 HydrophobicContact CD1-CG 3.72Å; Y201-K219 HydrophobicContact CD2-CD 3.98Å; Y201-K219 HydrophobicContact CD2-CG 4.26Å; Y201-K219 HydrophobicContact CE1-CB 3.82Å; Y201-K219 HydrophobicContact CE1-CD 4.14Å; Y201-K219 HydrophobicContact CE1-CG 3.79Å; Y201-K219 HydrophobicContact CE2-CD 3.8Å; Y201-K219 HydrophobicContact CE2-CG 4.3Å; Y201-K219 HydrophobicContact CG-CD 4.23Å; Y201-K219 HydrophobicContact CG-CG 3.99Å; Y201-T222 VanDerWaalsContact O-CG2 3.31Å; Y201-T222 WeakPolarHBondContact O-CG2 3.13Å; Y201-H257 AromaticContact CE2-CE1 3.89Å; Y201-H257 PolarHBondContact OH-NE2 3.33Å; Y201-K298 HydrophobicContact CD2-CD 4.37Å; Y201-K298 HydrophobicContact CE2-CD 4.25Å
202	S	94.4	Very high	95	Very high	54 Å²	54	33.4 Å²	33.4	38%	0.378	17%	0.172	S	C	.	.	H	α-helix	trans	-65.4	-39.9	-177.7	-59.9	0	0	0	0	111.8	F205 Q206	S202-F205 PolarHBondContact O-N 2.94Å; S202-Q206 WeakPolarHBondContact O-CB 3.3Å; S202-Q206 PolarHBondContact O-N 3.49Å
203	G	96.2	Very high	95.2	Very high	5 Å²	5	31.2 Å²	31.2	5%	0.052	17%	0.165	C	C	.	.	H	α-helix	trans	-68.8	-41.1	178.4	0	0	0	0	0	113.2	P197 Y198 Y199 D200 Y201 F205 Q206 C207	P197-G203 WeakPolarHBondContact O-CA 3.36Å; Y198-G203 WeakPolarHBondContact CA-O 3.39Å; Y198-G203 CarbonylContact O-C 3.53Å; Y198-G203 VanDerWaalsContact O-C 3.3Å; Y199-G203 WeakPolarHBondContact O-CA 3.43Å; Y199-G203 PolarHBondContact O-N 3.2Å; D200-G203 PolarHBondContact O-N 3.29Å; Y201-G203 PolarHBondContact O-N 3.49Å; G203-F205 VanDerWaalsContact C-N 3.31Å; G203-F205 PolarHBondContact O-N 2.79Å; G203-Q206 WeakPolarHBondContact O-CB 3.4Å; G203-Q206 PolarHBondContact O-N 2.92Å; G203-C207 PolarHBondContact O-N 2.92Å
204	A	98	Very high	95.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.9	-36.4	175.8	0	0	0	0	0	112	C126 T128 Y198 D200 Y201 C207 L208 A216 V218	C126-A204 HydrophobicContact CB-CB 4.45Å; C126-A204 VanDerWaalsContact CB-O 3.25Å; C126-A204 WeakPolarHBondContact CB-O 3.42Å; T128-A204 HydrophobicContact CG2-CB 4.16Å; Y198-A204 PolarHBondContact O-N 3.29Å; D200-A204 WeakPolarHBondContact O-CB 3.18Å; D200-A204 PolarHBondContact O-N 3.43Å; Y201-A204 PolarHBondContact O-N 2.7Å; A204-C207 WeakPolarHBondContact O-CB 3.47Å; A204-C207 PolarHBondContact O-N 3.43Å; A204-L208 PolarHBondContact O-N 3.24Å; A204-A216 WeakPolarHBondContact O-CB 3.44Å; A204-V218 HydrophobicContact CB-CG1 3.86Å
205	F	97.8	Very high	96.2	Very high	12 Å²	12	32.6 Å²	32.6	5%	0.053	17%	0.171	C	C	.	.	H	α-helix	trans	-68.1	-41.1	171.4	-179.9	-115.6	0	0	0	111.7	Y201 S202 G203 C207 L208 V209 T222 V223 P224 Y231	Y201-F205 PolarHBondContact O-N 3.36Å; Y201-F205 VanDerWaalsContact O-N 3.1Å; S202-F205 PolarHBondContact O-N 2.94Å; G203-F205 VanDerWaalsContact C-N 3.31Å; G203-F205 PolarHBondContact O-N 2.79Å; F205-C207 VanDerWaalsContact C-N 3.27Å; F205-C207 PolarHBondContact O-N 2.88Å; F205-L208 HydrophobicContact CD2-CD2 4.47Å; F205-L208 WeakPolarHBondContact O-CA 3.36Å; F205-L208 WeakPolarHBondContact O-CB 3.45Å; F205-L208 PolarHBondContact O-N 3.39Å; F205-V209 HydrophobicContact CD1-CG2 3.92Å; F205-V209 HydrophobicContact CD2-CG2 4.46Å; F205-V209 HydrophobicContact CE1-CG2 3.62Å; F205-V209 HydrophobicContact CE2-CG2 4.19Å; F205-V209 HydrophobicContact CG-CG2 4.34Å; F205-V209 HydrophobicContact CZ-CG2 3.77Å; F205-V209 VanDerWaalsContact O-CG2 3.3Å; F205-V209 WeakPolarHBondContact O-CG2 3.35Å; F205-V209 PolarHBondContact O-N 2.88Å; F205-T222 HydrophobicContact CB-CG2 3.65Å; F205-T222 HydrophobicContact CG-CG2 4.2Å; F205-V223 HydrophobicContact CD2-CG2 4.23Å; F205-V223 HydrophobicContact CE2-CB 4.49Å; F205-V223 HydrophobicContact CE2-CG1 4.26Å; F205-V223 HydrophobicContact CE2-CG2 3.88Å; F205-V223 HydrophobicContact CZ-CG1 4.06Å; F205-V223 HydrophobicContact CZ-CG2 4.4Å; F205-P224 HydrophobicContact CE1-CG 4.45Å; F205-Y231 HydrophobicContact CE2-CD1 4.05Å; F205-Y231 HydrophobicContact CE2-CD2 4.13Å; F205-Y231 AromaticContact CE2-CE1 3.76Å; F205-Y231 HydrophobicContact CE2-CE1 3.76Å; F205-Y231 AromaticContact CE2-CE2 3.87Å; F205-Y231 HydrophobicContact CE2-CE2 3.87Å; F205-Y231 HydrophobicContact CE2-CG 4.24Å; F205-Y231 AromaticContact CE2-CZ 3.68Å; F205-Y231 HydrophobicContact CZ-CD2 4.08Å; F205-Y231 HydrophobicContact CZ-CE1 4.17Å; F205-Y231 AromaticContact CZ-CE2 3.53Å; F205-Y231 HydrophobicContact CZ-CE2 3.53Å; F205-Y231 AromaticContact CZ-CZ 3.59Å
206	Q	97	Very high	96.8	Very high	74 Å²	74	27.2 Å²	27.2	35%	0.346	15%	0.151	S	C	.	.	H	α-helix	trans	-58.7	-38.8	174.6	-172.4	64.7	20.1	0	0	112.2	Y198 S202 G203 L208 V209 E210	Y198-Q206 HydrophobicContact CD1-CB 4.36Å; Y198-Q206 HydrophobicContact CD1-CG 4.44Å; Y198-Q206 HydrophobicContact CE1-CB 4.37Å; Y198-Q206 HydrophobicContact CE1-CG 4.06Å; S202-Q206 WeakPolarHBondContact O-CB 3.3Å; S202-Q206 PolarHBondContact O-N 3.49Å; G203-Q206 WeakPolarHBondContact O-CB 3.4Å; G203-Q206 PolarHBondContact O-N 2.92Å; Q206-L208 VanDerWaalsContact C-N 3.25Å; Q206-L208 PolarHBondContact O-N 3.42Å; Q206-V209 PolarHBondContact O-N 3.35Å; Q206-V209 VanDerWaalsContact O-N 3.15Å; Q206-E210 HydrophobicContact CG-CG 4.25Å; Q206-E210 WeakPolarHBondContact CG-OE1 3.29Å; Q206-E210 PolarHBondContact NE2-OE1 2.69Å; Q206-E210 WeakPolarHBondContact O-CB 3.19Å; Q206-E210 PolarHBondContact O-N 3.49Å
207	C	98.3	Very high	97	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.5	-35.2	173.5	168.9	0	0	0	0	112.9	C126 Y198 G203 A204 F205 A212 G213	C126-C207 HydrophobicContact CB-CB 3.57Å; C126-C207 WeakPolarHBondContact CB-SG 3.35Å; C126-C207 WeakPolarHBondContact SG-CB 3.37Å; C126-C207 CovalentContact SG-SG 2.03Å; C126-C207 PolarHBondContact SG-SG 3.29Å; Y198-C207 HydrophobicContact CD1-CB 3.87Å; Y198-C207 HydrophobicContact CD2-CB 3.59Å; Y198-C207 HydrophobicContact CE1-CB 4.08Å; Y198-C207 HydrophobicContact CE2-CB 3.8Å; Y198-C207 HydrophobicContact CG-CB 3.62Å; G203-C207 PolarHBondContact O-N 2.92Å; A204-C207 WeakPolarHBondContact O-CB 3.47Å; A204-C207 PolarHBondContact O-N 3.43Å; F205-C207 VanDerWaalsContact C-N 3.27Å; F205-C207 PolarHBondContact O-N 2.88Å; C207-A212 WeakPolarHBondContact O-CB 3.08Å; C207-A212 PolarHBondContact O-N 3.49Å; C207-G213 PolarHBondContact O-N 2.8Å; C207-G213 VanDerWaalsContact O-N 3.15Å
208	L	98.4	Very high	97.2	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-75.4	-42.2	172.3	175.8	67.8	0	0	0	111.6	V108 K110 A204 F205 Q206 E210 D211 G213 E214 A216 Y231	V108-L208 HydrophobicContact CB-CD2 4.3Å; V108-L208 HydrophobicContact CG1-CD2 3.92Å; V108-L208 WeakPolarHBondContact O-CD2 2.88Å; K110-L208 WeakPolarHBondContact CE-O 3.19Å; K110-L208 HydrophobicContact CG-CD1 4.28Å; K110-L208 HydrophobicContact CG-CG 4.44Å; K110-L208 PolarHBondContact NZ-O 3.48Å; A204-L208 PolarHBondContact O-N 3.24Å; F205-L208 HydrophobicContact CD2-CD2 4.47Å; F205-L208 WeakPolarHBondContact O-CA 3.36Å; F205-L208 WeakPolarHBondContact O-CB 3.45Å; F205-L208 PolarHBondContact O-N 3.39Å; Q206-L208 VanDerWaalsContact C-N 3.25Å; Q206-L208 PolarHBondContact O-N 3.42Å; L208-E210 VanDerWaalsContact C-N 3.34Å; L208-E210 PolarHBondContact O-N 3.02Å; L208-D211 PolarHBondContact O-N 3.23Å; L208-G213 WeakPolarHBondContact CD1-O 3.3Å; L208-E214 WeakPolarHBondContact CD1-O 3.21Å; L208-A216 HydrophobicContact CB-CB 3.88Å; L208-A216 HydrophobicContact CD2-CB 3.96Å; L208-Y231 HydrophobicContact CD2-CD1 3.91Å; L208-Y231 HydrophobicContact CD2-CE1 3.91Å; L208-Y231 HydrophobicContact CG-CE1 4.19Å
209	V	97.6	Very high	97.1	Very high	41 Å²	41	23.8 Å²	23.8	25%	0.248	13%	0.129	C	C	.	.	H	α-helix	trans	-57.3	-47.7	178.1	174.4	0	0	0	0	110.5	K110 F205 Q206 D211 Y231	K110-V209 PolarHBondContact NZ-O 3.01Å; F205-V209 HydrophobicContact CD1-CG2 3.92Å; F205-V209 HydrophobicContact CD2-CG2 4.46Å; F205-V209 HydrophobicContact CE1-CG2 3.62Å; F205-V209 HydrophobicContact CE2-CG2 4.19Å; F205-V209 HydrophobicContact CG-CG2 4.34Å; F205-V209 HydrophobicContact CZ-CG2 3.77Å; F205-V209 VanDerWaalsContact O-CG2 3.3Å; F205-V209 WeakPolarHBondContact O-CG2 3.35Å; F205-V209 PolarHBondContact O-N 2.88Å; Q206-V209 PolarHBondContact O-N 3.35Å; Q206-V209 VanDerWaalsContact O-N 3.15Å; V209-D211 PolarHBondContact O-N 3.49Å; V209-Y231 WeakPolarHBondContact CG2-OH 3.49Å
210	E	97.7	Very high	97	Very high	80 Å²	80	24 Å²	24	37%	0.374	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	9.3	-179.2	-67.2	-172.8	-159.6	0	0	114.3	K187 Y198 Q206 L208 A212	K187-E210 IonicContact NZ-OE1 3.56Å; K187-E210 PolarHBondContact NZ-OE1 3.12Å; K187-E210 IonicContact NZ-OE2 2.77Å; K187-E210 PolarHBondContact NZ-OE2 3.27Å; Y198-E210 WeakPolarHBondContact OH-CB 3.18Å; Y198-E210 PolarHBondContact OH-OE2 3.24Å; Q206-E210 HydrophobicContact CG-CG 4.25Å; Q206-E210 WeakPolarHBondContact CG-OE1 3.29Å; Q206-E210 PolarHBondContact NE2-OE1 2.69Å; Q206-E210 WeakPolarHBondContact O-CB 3.19Å; Q206-E210 PolarHBondContact O-N 3.49Å; L208-E210 VanDerWaalsContact C-N 3.34Å; L208-E210 PolarHBondContact O-N 3.02Å; E210-A212 PolarHBondContact O-N 3.43Å; E210-A212 VanDerWaalsContact O-N 3.08Å
211	D	97.1	Very high	96.9	Very high	117 Å²	117	26.9 Å²	26.9	63%	0.626	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	19.2	-179.5	-67.6	-62.5	0	0	0	114.2	K110 L208 V209	K110-D211 IonicContact NZ-OD1 2.64Å; K110-D211 PolarHBondContact NZ-OD1 2.96Å; K110-D211 IonicContact NZ-OD2 2.97Å; K110-D211 PolarHBondContact NZ-OD2 3.5Å; L208-D211 PolarHBondContact O-N 3.23Å; V209-D211 PolarHBondContact O-N 3.49Å
212	A	97.6	Very high	96.8	Very high	21 Å²	21	27.6 Å²	27.6	17%	0.174	15%	0.15	C	C	.	.	S	Bend	trans	-70.9	-43.7	174.3	0	0	0	0	0	110.3	K124 L185 Y198 C207 E210	K124-A212 WeakPolarHBondContact CD-O 3.37Å; L185-A212 WeakPolarHBondContact CD1-O 3.48Å; Y198-A212 HydrophobicContact CE2-CB 3.83Å; C207-A212 WeakPolarHBondContact O-CB 3.08Å; C207-A212 PolarHBondContact O-N 3.49Å; E210-A212 PolarHBondContact O-N 3.43Å; E210-A212 VanDerWaalsContact O-N 3.08Å
213	G	97.3	Very high	96.9	Very high	3 Å²	3	25.3 Å²	25.3	3%	0.031	13%	0.134	C	C	.	.			trans	-118.8	165.7	172	0	0	0	0	0	113.8	C126 C207 L208	C126-G213 VanDerWaalsContact SG-CA 3.6Å; C207-G213 PolarHBondContact O-N 2.8Å; C207-G213 VanDerWaalsContact O-N 3.15Å; L208-G213 WeakPolarHBondContact CD1-O 3.3Å
214	E	98.4	Very high	96.7	Very high	69 Å²	69	27.6 Å²	27.6	32%	0.322	15%	0.147	S	C	.	.	S	Bend	trans	-101.5	-20.8	-178.4	-65.4	171.7	98.1	0	0	112.7	F115 K123 K124 L208	F115-E214 HydrophobicContact CE1-CB 4.35Å; F115-E214 HydrophobicContact CZ-CB 4.13Å; K123-E214 VanDerWaalsContact CA-OE2 3.25Å; K123-E214 WeakPolarHBondContact CA-OE2 3.31Å; K123-E214 WeakPolarHBondContact CB-OE2 3.22Å; K123-E214 WeakPolarHBondContact CD-OE1 3.19Å; K123-E214 WeakPolarHBondContact CD-OE2 3.39Å; K124-E214 HydrophobicContact CB-CG 4.32Å; K124-E214 PolarHBondContact N-OE2 2.9Å; K124-E214 PolarHBondContact O-N 3.02Å; L208-E214 WeakPolarHBondContact CD1-O 3.21Å
215	V	98.4	Very high	96.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	137.7	175.3	62.3	0	0	0	0	110.3	A107 V108 V109 L120 K124 C126 F217 L234	A107-V215 HydrophobicContact CB-CG2 4.14Å; V108-V215 CarbonylContact O-C 3.45Å; V108-V215 WeakPolarHBondContact O-CA 3.11Å; V109-V215 HydrophobicContact CG1-CB 4.02Å; V109-V215 HydrophobicContact CG1-CG2 3.96Å; L120-V215 HydrophobicContact CD2-CB 4.14Å; L120-V215 HydrophobicContact CD2-CG1 3.88Å; L120-V215 HydrophobicContact CD2-CG2 4.32Å; K124-V215 PolarHBondContact O-N 2.8Å; C126-V215 PolarHBondContact N-O 2.62Å; V215-F217 HydrophobicContact CG1-CE2 4.05Å; V215-F217 HydrophobicContact CG1-CZ 4.18Å; V215-F217 HydrophobicContact CG2-CE1 4.23Å; V215-F217 HydrophobicContact CG2-CE2 4.49Å; V215-F217 HydrophobicContact CG2-CZ 4.16Å; V215-L234 HydrophobicContact CG2-CD1 4.41Å
216	A	98.7	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.9	170.2	0	0	0	0	0	111	V108 C126 A204 L208 V218	V108-A216 PolarHBondContact N-O 2.82Å; V108-A216 PolarHBondContact O-N 2.04Å; C126-A216 HydrophobicContact CB-CB 4.16Å; C126-A216 WeakPolarHBondContact O-CA 3.08Å; A204-A216 WeakPolarHBondContact O-CB 3.44Å; L208-A216 HydrophobicContact CB-CB 3.88Å; L208-A216 HydrophobicContact CD2-CB 3.96Å; A216-V218 HydrophobicContact CB-CG1 4.26Å
217	F	98.5	Very high	96.1	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.009	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	109	173.8	-61.8	-71.6	0	0	0	109.6	A107 L120 C126 H127 T128 P139 F168 V215 L251	A107-F217 HydrophobicContact CB-CD1 3.86Å; A107-F217 HydrophobicContact CB-CE1 3.74Å; L120-F217 HydrophobicContact CD1-CE1 4.49Å; L120-F217 HydrophobicContact CD1-CZ 4.06Å; C126-F217 PolarHBondContact O-N 2.92Å; H127-F217 AromaticContact CE1-CD2 3.46Å; H127-F217 VanDerWaalsContact CE1-CD2 3.46Å; H127-F217 WeakPolarHBondContact CE1-CD2 3.45Å; H127-F217 AromaticContact CE1-CE2 3.61Å; H127-F217 AromaticContact ND1-CD2 3.55Å; T128-F217 WeakPolarHBondContact CG2-O 3.26Å; P139-F217 HydrophobicContact CB-CB 4.36Å; P139-F217 HydrophobicContact CB-CD1 3.39Å; P139-F217 HydrophobicContact CB-CD2 4.29Å; P139-F217 HydrophobicContact CB-CE1 3.57Å; P139-F217 HydrophobicContact CB-CE2 4.44Å; P139-F217 HydrophobicContact CB-CG 3.76Å; P139-F217 HydrophobicContact CB-CZ 4.1Å; P139-F217 HydrophobicContact CG-CB 4.01Å; P139-F217 HydrophobicContact CG-CD1 4Å; P139-F217 HydrophobicContact CG-CD2 4.43Å; P139-F217 HydrophobicContact CG-CG 3.89Å; F168-F217 HydrophobicContact CZ-CE2 4.02Å; F168-F217 HydrophobicContact CZ-CZ 4.18Å; V215-F217 HydrophobicContact CG1-CE2 4.05Å; V215-F217 HydrophobicContact CG1-CZ 4.18Å; V215-F217 HydrophobicContact CG2-CE1 4.23Å; V215-F217 HydrophobicContact CG2-CE2 4.49Å; V215-F217 HydrophobicContact CG2-CZ 4.16Å; F217-L251 HydrophobicContact CD1-CD1 4.06Å; F217-L251 HydrophobicContact CE1-CD1 4.34Å
218	V	97.6	Very high	96	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	-177.8	-169.9	-64.4	0	0	0	0	111.4	V106 V108 T128 Y201 A204 A216 T222	V106-V218 HydrophobicContact CG2-CG2 4.19Å; V106-V218 WeakPolarHBondContact CG2-O 3.31Å; V106-V218 PolarHBondContact N-O 3.38Å; V106-V218 PolarHBondContact O-N 2.95Å; V108-V218 HydrophobicContact CB-CG2 4.47Å; V108-V218 HydrophobicContact CG2-CG2 3.62Å; T128-V218 HydrophobicContact CG2-CG1 4.26Å; Y201-V218 HydrophobicContact CD1-CB 4.25Å; A204-V218 HydrophobicContact CB-CG1 3.86Å; A216-V218 HydrophobicContact CB-CG1 4.26Å; V218-T222 HydrophobicContact CB-CG2 4.14Å; V218-T222 HydrophobicContact CG1-CG2 4.22Å; V218-T222 HydrophobicContact CG2-CG2 4.25Å
219	K	94.5	Very high	95.9	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.035	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	154.9	169.3	64.9	178.4	174.9	179.1	0	110.8	Y103 Y104 Y201 L221 T222 S300	Y103-K219 HydrophobicContact CD2-CB 3.47Å; Y103-K219 VanDerWaalsContact CD2-CB 3.47Å; Y103-K219 HydrophobicContact CD2-CD 4.48Å; Y103-K219 HydrophobicContact CE2-CB 3.85Å; Y103-K219 HydrophobicContact CG-CB 4.38Å; Y104-K219 CarbonylContact O-C 3.59Å; Y104-K219 VanDerWaalsContact O-CA 3.27Å; Y104-K219 WeakPolarHBondContact O-CA 3.28Å; Y201-K219 HydrophobicContact CD1-CB 4.14Å; Y201-K219 HydrophobicContact CD1-CD 4.28Å; Y201-K219 HydrophobicContact CD1-CG 3.72Å; Y201-K219 HydrophobicContact CD2-CD 3.98Å; Y201-K219 HydrophobicContact CD2-CG 4.26Å; Y201-K219 HydrophobicContact CE1-CB 3.82Å; Y201-K219 HydrophobicContact CE1-CD 4.14Å; Y201-K219 HydrophobicContact CE1-CG 3.79Å; Y201-K219 HydrophobicContact CE2-CD 3.8Å; Y201-K219 HydrophobicContact CE2-CG 4.3Å; Y201-K219 HydrophobicContact CG-CD 4.23Å; Y201-K219 HydrophobicContact CG-CG 3.99Å; K219-L221 HydrophobicContact CD-CB 4.34Å; K219-L221 HydrophobicContact CG-CB 4.36Å; K219-L221 PolarHBondContact O-N 3.25Å; K219-T222 WeakPolarHBondContact CG-OG1 3.26Å; K219-T222 VanDerWaalsContact O-CB 3.32Å; K219-T222 WeakPolarHBondContact O-CB 3.17Å; K219-T222 PolarHBondContact O-N 3.49Å; K219-T222 PolarHBondContact O-OG1 2.94Å; K219-S300 PolarHBondContact NZ-OG 2.92Å
220	H	93.2	Very high	95.9	Very high	9 Å²	9	46.2 Å²	46.2	4%	0.042	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.5	179.6	69.4	-64.9	0	0	0	115.1	S99 Y104 V106 T222 Y246	S99-H220 PolarHBondContact OG-CE1 3.31Å; Y104-H220 AromaticContact CD2-CE1 3.91Å; Y104-H220 AromaticContact CD2-ND1 3.98Å; Y104-H220 PolarHBondContact N-ND1 2.69Å; Y104-H220 VanDerWaalsContact N-ND1 3.15Å; Y104-H220 PolarHBondContact O-N 3.47Å; V106-H220 HydrophobicContact CG1-CB 4.2Å; H220-T222 VanDerWaalsContact C-N 3.3Å; H220-T222 PolarHBondContact O-N 3.48Å; H220-Y246 HydrophobicContact CB-CD1 4.24Å; H220-Y246 HydrophobicContact CB-CD2 3.98Å; H220-Y246 HydrophobicContact CB-CG 3.71Å; H220-Y246 AromaticContact CD2-CD1 3.9Å; H220-Y246 AromaticContact CD2-CD2 3.44Å; H220-Y246 VanDerWaalsContact CD2-CD2 3.44Å; H220-Y246 WeakPolarHBondContact CD2-CD2 3.44Å; H220-Y246 AromaticContact CD2-CE1 3.8Å; H220-Y246 AromaticContact CD2-CE2 3.29Å; H220-Y246 WeakPolarHBondContact CD2-CE2 3.28Å; H220-Y246 AromaticContact CD2-CG 3.73Å; H220-Y246 AromaticContact CD2-CZ 3.49Å; H220-Y246 VanDerWaalsContact CD2-CZ 3.49Å; H220-Y246 AromaticContact CG-CD2 3.77Å; H220-Y246 AromaticContact CG-CG 3.96Å; H220-Y246 AromaticContact NE2-CE2 3.67Å; H220-Y246 AromaticContact NE2-CZ 3.96Å
221	L	91.9	Very high	95.9	Very high	66 Å²	66	43.1 Å²	43.1	35%	0.346	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.8	178.6	-59.8	174.4	0	0	0	114	Y95 K219	Y95-L221 HydrophobicContact CG-CD1 4.26Å; K219-L221 HydrophobicContact CD-CB 4.34Å; K219-L221 HydrophobicContact CG-CB 4.36Å; K219-L221 PolarHBondContact O-N 3.25Å
222	T	94.9	Very high	96	Very high	18 Å²	18	39.3 Å²	39.3	11%	0.11	22%	0.223	C	C	.	.			trans	-77.8	-36.7	-171.4	-58.7	0	0	0	0	113.5	Y201 F205 V218 K219 H220 P224	Y201-T222 VanDerWaalsContact O-CG2 3.31Å; Y201-T222 WeakPolarHBondContact O-CG2 3.13Å; F205-T222 HydrophobicContact CB-CG2 3.65Å; F205-T222 HydrophobicContact CG-CG2 4.2Å; V218-T222 HydrophobicContact CB-CG2 4.14Å; V218-T222 HydrophobicContact CG1-CG2 4.22Å; V218-T222 HydrophobicContact CG2-CG2 4.25Å; K219-T222 WeakPolarHBondContact CG-OG1 3.26Å; K219-T222 VanDerWaalsContact O-CB 3.32Å; K219-T222 WeakPolarHBondContact O-CB 3.17Å; K219-T222 PolarHBondContact O-N 3.49Å; K219-T222 PolarHBondContact O-OG1 2.94Å; H220-T222 VanDerWaalsContact C-N 3.3Å; H220-T222 PolarHBondContact O-N 3.48Å; T222-P224 WeakPolarHBondContact O-CD 3.47Å
223	V	95.1	Very high	96	Very high	6 Å²	6	38.4 Å²	38.4	4%	0.036	22%	0.215	C	C	.	.	S	Bend	trans	-77.4	120.9	-175.9	-176	0	0	0	0	109.3	V108 F205 K228 Y231 I243	V108-V223 HydrophobicContact CG1-CG2 4.01Å; V108-V223 HydrophobicContact CG2-CG2 4.18Å; F205-V223 HydrophobicContact CD2-CG2 4.23Å; F205-V223 HydrophobicContact CE2-CB 4.49Å; F205-V223 HydrophobicContact CE2-CG1 4.26Å; F205-V223 HydrophobicContact CE2-CG2 3.88Å; F205-V223 HydrophobicContact CZ-CG1 4.06Å; F205-V223 HydrophobicContact CZ-CG2 4.4Å; V223-K228 HydrophobicContact CG1-CG 4.04Å; V223-Y231 HydrophobicContact CG1-CD2 3.96Å; V223-I243 HydrophobicContact CB-CG2 4.22Å; V223-I243 HydrophobicContact CG1-CG1 4.46Å; V223-I243 HydrophobicContact CG2-CD1 4.32Å; V223-I243 HydrophobicContact CG2-CG2 4.45Å
224	P	92.8	Very high	96.1	Very high	52 Å²	52	38.3 Å²	38.3	34%	0.338	21%	0.214	S	C	.	.			trans	-59.8	142.4	178.5	-22.8	33.4	0	0	0	112.1	F205 T222 S226 E227 K228	F205-P224 HydrophobicContact CE1-CG 4.45Å; T222-P224 WeakPolarHBondContact O-CD 3.47Å; P224-S226 PolarHBondContact O-N 3.36Å; P224-S226 VanDerWaalsContact O-N 3.17Å; P224-E227 HydrophobicContact CB-CB 4.48Å; P224-E227 HydrophobicContact CB-CG 4.5Å; P224-E227 PolarHBondContact O-N 3.2Å; P224-K228 PolarHBondContact O-N 3.36Å; P224-K228 VanDerWaalsContact O-N 3.17Å
225	D	91.4	Very high	96	Very high	128 Å²	128	35.3 Å²	35.3	68%	0.684	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-38.4	-177.8	-75.2	-35.4	0	0	0	113.1	E227 K228	D225-E227 PolarHBondContact O-N 3.07Å; D225-K228 WeakPolarHBondContact OD1-CE 2.99Å; D225-K228 IonicContact OD1-NZ 3.56Å; D225-K228 PolarHBondContact OD1-NZ 3.39Å
226	S	94.4	Very high	95.8	Very high	103 Å²	103	38.1 Å²	38.1	72%	0.72	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.7	177.8	52.5	0	0	0	0	113.9	P224	P224-S226 PolarHBondContact O-N 3.36Å; P224-S226 VanDerWaalsContact O-N 3.17Å
227	E	94.9	Very high	95.6	Very high	67 Å²	67	42.9 Å²	42.9	31%	0.313	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-11.8	-172.9	-66.7	-173.9	-152.5	0	0	113.5	P224 D225 S229 N230 Y231	P224-E227 HydrophobicContact CB-CB 4.48Å; P224-E227 HydrophobicContact CB-CG 4.5Å; P224-E227 PolarHBondContact O-N 3.2Å; D225-E227 PolarHBondContact O-N 3.07Å; E227-S229 PolarHBondContact O-N 2.98Å; E227-N230 WeakPolarHBondContact O-CB 3.16Å; E227-N230 PolarHBondContact O-N 3.44Å; E227-Y231 HydrophobicContact CB-CE2 4.18Å; E227-Y231 WeakPolarHBondContact O-CD2 3.27Å
228	K	95.4	Very high	95.5	Very high	44 Å²	44	45.2 Å²	45.2	19%	0.191	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-48	-35.3	-177.2	-76.3	-179.6	173.3	171.9	0	114.2	V223 P224 D225 N230 Y231 I243 D244	V223-K228 HydrophobicContact CG1-CG 4.04Å; P224-K228 PolarHBondContact O-N 3.36Å; P224-K228 VanDerWaalsContact O-N 3.17Å; D225-K228 WeakPolarHBondContact OD1-CE 2.99Å; D225-K228 IonicContact OD1-NZ 3.56Å; D225-K228 PolarHBondContact OD1-NZ 3.39Å; K228-N230 PolarHBondContact O-N 2.59Å; K228-Y231 PolarHBondContact O-N 2.84Å; K228-Y231 VanDerWaalsContact O-O 3.12Å; K228-I243 HydrophobicContact CB-CB 4.27Å; K228-I243 HydrophobicContact CB-CG1 4.27Å; K228-I243 HydrophobicContact CD-CB 4.25Å; K228-I243 HydrophobicContact CD-CG2 4.17Å; K228-I243 HydrophobicContact CG-CB 3.98Å; K228-I243 HydrophobicContact CG-CG1 4.28Å; K228-I243 HydrophobicContact CG-CG2 3.99Å; K228-D244 WeakPolarHBondContact CD-OD1 3.4Å; K228-D244 WeakPolarHBondContact CE-OD1 3.12Å; K228-D244 IonicContact NZ-OD1 3.47Å; K228-D244 PolarHBondContact NZ-OD1 3.07Å
229	S	96.3	Very high	95.4	Very high	86 Å²	86	48.4 Å²	48.4	60%	0.601	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-63.3	-20.3	-179.6	65.7	0	0	0	0	114.8	E227	E227-S229 PolarHBondContact O-N 2.98Å
230	N	97.8	Very high	95.6	Very high	91 Å²	91	51.1 Å²	51.1	49%	0.487	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-87.7	-8.5	179.9	-61.2	-37.4	0	0	0	113.4	K111 E227 K228	K111-N230 WeakPolarHBondContact CB-O 3.38Å; K111-N230 PolarHBondContact N-O 3.26Å; E227-N230 WeakPolarHBondContact O-CB 3.16Å; E227-N230 PolarHBondContact O-N 3.44Å; K228-N230 PolarHBondContact O-N 2.59Å
231	Y	98.4	Very high	95.8	Very high	15 Å²	15	51.7 Å²	51.7	6%	0.059	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	157.9	-171	-58.7	-83.8	0	0	0	112.3	V108 V109 K110 F205 L208 V209 V223 E227 K228	V108-Y231 HydrophobicContact CG1-CD1 4.09Å; V108-Y231 HydrophobicContact CG1-CG 4.23Å; V109-Y231 CarbonylContact O-C 3.49Å; V109-Y231 VanDerWaalsContact O-CA 3.28Å; V109-Y231 WeakPolarHBondContact O-CA 3.46Å; K110-Y231 HydrophobicContact CG-CD1 4.13Å; K110-Y231 HydrophobicContact CG-CE1 3.79Å; F205-Y231 HydrophobicContact CE2-CD1 4.05Å; F205-Y231 HydrophobicContact CE2-CD2 4.13Å; F205-Y231 AromaticContact CE2-CE1 3.76Å; F205-Y231 HydrophobicContact CE2-CE1 3.76Å; F205-Y231 AromaticContact CE2-CE2 3.87Å; F205-Y231 HydrophobicContact CE2-CE2 3.87Å; F205-Y231 HydrophobicContact CE2-CG 4.24Å; F205-Y231 AromaticContact CE2-CZ 3.68Å; F205-Y231 HydrophobicContact CZ-CD2 4.08Å; F205-Y231 HydrophobicContact CZ-CE1 4.17Å; F205-Y231 AromaticContact CZ-CE2 3.53Å; F205-Y231 HydrophobicContact CZ-CE2 3.53Å; F205-Y231 AromaticContact CZ-CZ 3.59Å; L208-Y231 HydrophobicContact CD2-CD1 3.91Å; L208-Y231 HydrophobicContact CD2-CE1 3.91Å; L208-Y231 HydrophobicContact CG-CE1 4.19Å; V209-Y231 WeakPolarHBondContact CG2-OH 3.49Å; V223-Y231 HydrophobicContact CG1-CD2 3.96Å; E227-Y231 HydrophobicContact CB-CE2 4.18Å; E227-Y231 WeakPolarHBondContact O-CD2 3.27Å; K228-Y231 PolarHBondContact O-N 2.84Å; K228-Y231 VanDerWaalsContact O-O 3.12Å
232	E	98.1	Very high	96	Very high	38 Å²	38	52.6 Å²	52.6	18%	0.178	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	157	178.1	-63.9	178.6	140.8	0	0	109.9	V108 V109 K111 R240 A241	V108-E232 WeakPolarHBondContact CA-O 3.49Å; V109-E232 HydrophobicContact CG2-CB 4.15Å; V109-E232 PolarHBondContact N-O 3.13Å; V109-E232 PolarHBondContact O-N 3.13Å; K111-E232 HydrophobicContact CB-CG 4.14Å; K111-E232 HydrophobicContact CG-CG 4.06Å; E232-R240 IonicContact OE2-CZ 3.12Å; E232-R240 IonicContact OE2-NH1 3.1Å; E232-R240 PolarHBondContact OE2-NH1 2.93Å; E232-A241 CarbonylContact C-O 3.4Å; E232-A241 WeakPolarHBondContact CA-O 3.16Å
233	L	98.5	Very high	96.1	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	142.3	171.2	-56.7	-176.9	0	0	0	110	V106 A107 V108 R240 A241 I243 C249	V106-L233 HydrophobicContact CB-CD2 4.01Å; V106-L233 HydrophobicContact CG1-CD1 4.45Å; V106-L233 HydrophobicContact CG1-CD2 4.4Å; V106-L233 HydrophobicContact CG2-CD2 4.18Å; A107-L233 WeakPolarHBondContact O-CA 3.46Å; V108-L233 HydrophobicContact CG2-CD2 4Å; L233-R240 VanDerWaalsContact O-CA 3.23Å; L233-R240 WeakPolarHBondContact O-CA 3.48Å; L233-A241 PolarHBondContact N-O 3.29Å; L233-A241 PolarHBondContact O-N 2.7Å; L233-A241 VanDerWaalsContact O-N 3.08Å; L233-I243 HydrophobicContact CD2-CD1 3.51Å; L233-I243 HydrophobicContact CG-CD1 3.97Å; L233-C249 VanDerWaalsContact CB-SG 3.51Å; L233-C249 HydrophobicContact CD1-CB 4.37Å; L233-C249 WeakPolarHBondContact CD1-O 3.19Å
234	L	98.2	Very high	96.1	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	125.4	164.6	-55.6	-176.6	0	0	0	109.8	A107 V109 F115 I117 L120 V215 R240	A107-L234 HydrophobicContact CB-CB 4.1Å; A107-L234 HydrophobicContact CB-CG 4.49Å; A107-L234 PolarHBondContact O-N 3.42Å; V109-L234 HydrophobicContact CG1-CD1 3.74Å; V109-L234 HydrophobicContact CG1-CD2 4.04Å; V109-L234 HydrophobicContact CG1-CG 3.79Å; V109-L234 HydrophobicContact CG2-CD2 3.78Å; V109-L234 HydrophobicContact CG2-CG 4.22Å; F115-L234 HydrophobicContact CD2-CD1 4.3Å; F115-L234 HydrophobicContact CE2-CD1 3.96Å; F115-L234 WeakPolarHBondContact O-CD2 3.37Å; I117-L234 HydrophobicContact CB-CB 4.26Å; L120-L234 HydrophobicContact CD2-CD1 3.99Å; L120-L234 HydrophobicContact CG-CD1 4.45Å; V215-L234 HydrophobicContact CG2-CD1 4.41Å; L234-R240 HydrophobicContact CD2-CG 4.05Å
235	C	97.1	Very high	96.3	Very high	6 Å²	6	55.6 Å²	55.6	4%	0.041	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-97.7	156.1	-178	-44.6	0	0	0	0	111.2	I117 D237 N238 T239 C249	I117-C235 WeakPolarHBondContact CG2-O 3.44Å; C235-D237 WeakPolarHBondContact CB-OD1 3.34Å; C235-D237 PolarHBondContact O-N 2.85Å; C235-N238 PolarHBondContact O-N 3.42Å; C235-T239 PolarHBondContact N-O 3.38Å; C235-C249 WeakPolarHBondContact CA-SG 2.82Å; C235-C249 HydrophobicContact CB-CB 4.05Å; C235-C249 WeakPolarHBondContact CB-SG 3.41Å; C235-C249 PolarHBondContact N-SG 2.99Å; C235-C249 WeakPolarHBondContact SG-CB 3.4Å; C235-C249 CovalentContact SG-SG 2.03Å; C235-C249 PolarHBondContact SG-SG 3.4Å
236	L	94.1	Very high	96.4	Very high	59 Å²	59	50.8 Å²	50.8	31%	0.309	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-25	-177.8	-63.9	-177.9	0	0	0	113.8	I117 T142 N238 L251	I117-L236 HydrophobicContact CD1-CD2 3.97Å; T142-L236 HydrophobicContact CG2-CD2 3.52Å; L236-N238 PolarHBondContact O-N 2.92Å; L236-L251 HydrophobicContact CD2-CD2 3.69Å
237	D	94.7	Very high	96.4	Very high	100 Å²	100	51.4 Å²	51.4	54%	0.535	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	10.4	175.2	66.7	-5.6	0	0	0	113.1	C235 T239	C235-D237 WeakPolarHBondContact CB-OD1 3.34Å; C235-D237 PolarHBondContact O-N 2.85Å; D237-T239 VanDerWaalsContact CG-OG1 3.27Å; D237-T239 PolarHBondContact O-N 3.46Å; D237-T239 VanDerWaalsContact OD1-CB 3.28Å; D237-T239 WeakPolarHBondContact OD1-CB 3.17Å; D237-T239 WeakPolarHBondContact OD1-CG2 3.48Å; D237-T239 PolarHBondContact OD1-N 2.92Å; D237-T239 PolarHBondContact OD1-OG1 3.31Å; D237-T239 WeakPolarHBondContact OD2-CG2 3.4Å; D237-T239 PolarHBondContact OD2-OG1 3.12Å
238	N	95.5	Very high	96.4	Very high	51 Å²	51	54.1 Å²	54.1	27%	0.273	30%	0.296	S	S	.	.	S	Bend	trans	68	10.9	-175.9	-153.5	56.7	0	0	0	114.7	G116 I117 R118 C235 L236	G116-N238 WeakPolarHBondContact CA-OD1 3.48Å; I117-N238 PolarHBondContact N-OD1 3.21Å; R118-N238 VanDerWaalsContact CB-OD1 3.31Å; R118-N238 WeakPolarHBondContact CB-OD1 3.39Å; R118-N238 HydrophobicContact CG-CB 4.22Å; R118-N238 WeakPolarHBondContact CG-OD1 3.41Å; R118-N238 PolarHBondContact N-OD1 3.44Å; C235-N238 PolarHBondContact O-N 3.42Å; L236-N238 PolarHBondContact O-N 2.92Å
239	T	96.6	Very high	96.4	Very high	67 Å²	67	52.2 Å²	52.2	41%	0.411	29%	0.288	S	S	.	.			trans	-86.6	178.9	171.5	72.9	0	0	0	0	111.7	C235 D237	C235-T239 PolarHBondContact N-O 3.38Å; D237-T239 VanDerWaalsContact CG-OG1 3.27Å; D237-T239 PolarHBondContact O-N 3.46Å; D237-T239 VanDerWaalsContact OD1-CB 3.28Å; D237-T239 WeakPolarHBondContact OD1-CB 3.17Å; D237-T239 WeakPolarHBondContact OD1-CG2 3.48Å; D237-T239 PolarHBondContact OD1-N 2.92Å; D237-T239 PolarHBondContact OD1-OG1 3.31Å; D237-T239 WeakPolarHBondContact OD2-CG2 3.4Å; D237-T239 PolarHBondContact OD2-OG1 3.12Å
240	R	97.6	Very high	96.4	Very high	65 Å²	65	50.4 Å²	50.4	25%	0.245	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147.5	175.1	-63.8	177.3	170.7	-138.4	-7.9	110	T113 G114 F115 E232 L233 L234	T113-R240 PolarHBondContact OG1-NH1 3.32Å; T113-R240 PolarHBondContact OG1-NH2 3.22Å; G114-R240 VanDerWaalsContact N-CZ 3.35Å; F115-R240 VanDerWaalsContact O-CZ 3.26Å; F115-R240 PolarHBondContact O-NE 2.65Å; F115-R240 PolarHBondContact O-NH2 2.86Å; E232-R240 IonicContact OE2-CZ 3.12Å; E232-R240 IonicContact OE2-NH1 3.1Å; E232-R240 PolarHBondContact OE2-NH1 2.93Å; L233-R240 VanDerWaalsContact O-CA 3.23Å; L233-R240 WeakPolarHBondContact O-CA 3.48Å; L234-R240 HydrophobicContact CD2-CG 4.05Å
241	A	97.5	Very high	96.2	Very high	21 Å²	21	46.7 Å²	46.7	17%	0.174	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	164.1	175.7	0	0	0	0	0	112.1	E232 L233 C249	E232-A241 CarbonylContact C-O 3.4Å; E232-A241 WeakPolarHBondContact CA-O 3.16Å; L233-A241 PolarHBondContact N-O 3.29Å; L233-A241 PolarHBondContact O-N 2.7Å; L233-A241 VanDerWaalsContact O-N 3.08Å; A241-C249 HydrophobicContact CB-CB 3.75Å
242	T	97.4	Very high	95.8	Very high	84 Å²	84	46.8 Å²	46.8	52%	0.515	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	154.9	170.1	48.9	0	0	0	0	111	D244 S245	T242-D244 PolarHBondContact O-N 3.11Å; T242-D244 VanDerWaalsContact O-N 3.15Å; T242-S245 WeakPolarHBondContact O-CB 3.38Å; T242-S245 PolarHBondContact O-N 2.83Å; T242-S245 PolarHBondContact OG1-OG 3.07Å
243	I	96.9	Very high	95.4	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.015	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-53.9	-36.5	178.9	-56.4	-55.6	0	0	0	112.5	V108 V223 K228 L233 S245 Y246	V108-I243 HydrophobicContact CG1-CD1 4.17Å; V223-I243 HydrophobicContact CB-CG2 4.22Å; V223-I243 HydrophobicContact CG1-CG1 4.46Å; V223-I243 HydrophobicContact CG2-CD1 4.32Å; V223-I243 HydrophobicContact CG2-CG2 4.45Å; K228-I243 HydrophobicContact CB-CB 4.27Å; K228-I243 HydrophobicContact CB-CG1 4.27Å; K228-I243 HydrophobicContact CD-CB 4.25Å; K228-I243 HydrophobicContact CD-CG2 4.17Å; K228-I243 HydrophobicContact CG-CB 3.98Å; K228-I243 HydrophobicContact CG-CG1 4.28Å; K228-I243 HydrophobicContact CG-CG2 3.99Å; L233-I243 HydrophobicContact CD2-CD1 3.51Å; L233-I243 HydrophobicContact CG-CD1 3.97Å; I243-S245 PolarHBondContact O-N 2.84Å; I243-Y246 WeakPolarHBondContact O-CD1 3.21Å; I243-Y246 PolarHBondContact O-N 2.71Å
244	D	95.1	Very high	95	Very high	97 Å²	97	48.5 Å²	48.5	52%	0.519	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-71.2	-12.1	-179.5	-59	-51.9	0	0	0	114	K228 T242 Y246	K228-D244 WeakPolarHBondContact CD-OD1 3.4Å; K228-D244 WeakPolarHBondContact CE-OD1 3.12Å; K228-D244 IonicContact NZ-OD1 3.47Å; K228-D244 PolarHBondContact NZ-OD1 3.07Å; T242-D244 PolarHBondContact O-N 3.11Å; T242-D244 VanDerWaalsContact O-N 3.15Å; D244-Y246 PolarHBondContact O-N 3.39Å
245	S	96.5	Very high	94.7	Very high	39 Å²	39	48.7 Å²	48.7	27%	0.273	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-85.7	16	177.3	-55.9	0	0	0	0	112.9	T242 I243 K247 T248 C249	T242-S245 WeakPolarHBondContact O-CB 3.38Å; T242-S245 PolarHBondContact O-N 2.83Å; T242-S245 PolarHBondContact OG1-OG 3.07Å; I243-S245 PolarHBondContact O-N 2.84Å; S245-K247 PolarHBondContact O-N 2.81Å; S245-K247 VanDerWaalsContact O-N 3.07Å; S245-T248 PolarHBondContact O-N 2.83Å; S245-T248 PolarHBondContact O-OG1 3Å; S245-C249 PolarHBondContact O-N 3.03Å
246	Y	94.4	Very high	94.6	Very high	27 Å²	27	48.4 Å²	48.4	11%	0.106	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-29.9	-176.4	65.5	-94.7	0	0	0	113.5	Y104 H220 I243 D244 T248 C249 H250	Y104-Y246 AromaticContact CD2-CD2 3.35Å; Y104-Y246 HydrophobicContact CD2-CD2 3.35Å; Y104-Y246 AromaticContact CD2-CE2 3.51Å; Y104-Y246 HydrophobicContact CD2-CE2 3.51Å; Y104-Y246 AromaticContact CE2-CD2 3.79Å; Y104-Y246 HydrophobicContact CE2-CD2 3.79Å; Y104-Y246 AromaticContact CE2-CE2 3.6Å; Y104-Y246 HydrophobicContact CE2-CE2 3.6Å; Y104-Y246 AromaticContact CG-CD2 3.77Å; Y104-Y246 HydrophobicContact CG-CD2 3.77Å; Y104-Y246 HydrophobicContact CG-CE2 4.38Å; H220-Y246 HydrophobicContact CB-CD1 4.24Å; H220-Y246 HydrophobicContact CB-CD2 3.98Å; H220-Y246 HydrophobicContact CB-CG 3.71Å; H220-Y246 AromaticContact CD2-CD1 3.9Å; H220-Y246 AromaticContact CD2-CD2 3.44Å; H220-Y246 VanDerWaalsContact CD2-CD2 3.44Å; H220-Y246 WeakPolarHBondContact CD2-CD2 3.44Å; H220-Y246 AromaticContact CD2-CE1 3.8Å; H220-Y246 AromaticContact CD2-CE2 3.29Å; H220-Y246 WeakPolarHBondContact CD2-CE2 3.28Å; H220-Y246 AromaticContact CD2-CG 3.73Å; H220-Y246 AromaticContact CD2-CZ 3.49Å; H220-Y246 VanDerWaalsContact CD2-CZ 3.49Å; H220-Y246 AromaticContact CG-CD2 3.77Å; H220-Y246 AromaticContact CG-CG 3.96Å; H220-Y246 AromaticContact NE2-CE2 3.67Å; H220-Y246 AromaticContact NE2-CZ 3.96Å; I243-Y246 WeakPolarHBondContact O-CD1 3.21Å; I243-Y246 PolarHBondContact O-N 2.71Å; D244-Y246 PolarHBondContact O-N 3.39Å; Y246-T248 PolarHBondContact O-N 3.25Å; Y246-C249 WeakPolarHBondContact CA-O 3.07Å; Y246-C249 CarbonylContact O-C 3.3Å; Y246-H250 WeakPolarHBondContact O-CB 3.47Å; Y246-H250 PolarHBondContact O-ND1 2.89Å
247	K	92.4	Very high	94.7	Very high	116 Å²	116	45.9 Å²	45.9	50%	0.504	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-27.9	178	-65.9	-172.4	179.1	-178.4	0	113.2	Y104 S245 H250	Y104-K247 HydrophobicContact CE2-CG 4.31Å; S245-K247 PolarHBondContact O-N 2.81Å; S245-K247 VanDerWaalsContact O-N 3.07Å; K247-H250 PolarHBondContact O-CE1 2.94Å; K247-H250 PolarHBondContact O-ND1 3.35Å
248	T	94.8	Very high	94.8	Very high	125 Å²	125	41.1 Å²	41.1	77%	0.767	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-16.5	178.3	57.8	0	0	0	0	112.8	S245 Y246	S245-T248 PolarHBondContact O-N 2.83Å; S245-T248 PolarHBondContact O-OG1 3Å; Y246-T248 PolarHBondContact O-N 3.25Å
249	C	96.6	Very high	95	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.02	21%	0.207	C	C	.	.	S	Bend	trans	-126.6	88	178.7	-179.9	0	0	0	0	110.1	L233 C235 A241 S245 Y246	L233-C249 VanDerWaalsContact CB-SG 3.51Å; L233-C249 HydrophobicContact CD1-CB 4.37Å; L233-C249 WeakPolarHBondContact CD1-O 3.19Å; C235-C249 WeakPolarHBondContact CA-SG 2.82Å; C235-C249 HydrophobicContact CB-CB 4.05Å; C235-C249 WeakPolarHBondContact CB-SG 3.41Å; C235-C249 PolarHBondContact N-SG 2.99Å; C235-C249 WeakPolarHBondContact SG-CB 3.4Å; C235-C249 CovalentContact SG-SG 2.03Å; C235-C249 PolarHBondContact SG-SG 3.4Å; A241-C249 HydrophobicContact CB-CB 3.75Å; S245-C249 PolarHBondContact O-N 3.03Å; Y246-C249 WeakPolarHBondContact CA-O 3.07Å; Y246-C249 CarbonylContact O-C 3.3Å
250	H	95.1	Very high	95.1	Very high	48 Å²	48	35.6 Å²	35.6	22%	0.222	19%	0.187	C	C	.	.			trans	-146.8	166.8	177	55.1	-91.9	0	0	0	110.3	Y104 V106 Y246 K247	Y104-H250 HydrophobicContact CD1-CB 3.95Å; Y104-H250 AromaticContact CD1-CD2 3.85Å; Y104-H250 AromaticContact CD1-CE1 3.82Å; Y104-H250 AromaticContact CD1-CG 3.51Å; Y104-H250 AromaticContact CD1-ND1 3.49Å; Y104-H250 WeakPolarHBondContact CD1-ND1 3.43Å; Y104-H250 AromaticContact CE1-CE1 3.66Å; Y104-H250 AromaticContact CE1-ND1 3.72Å; V106-H250 HydrophobicContact CG1-CB 4.09Å; Y246-H250 WeakPolarHBondContact O-CB 3.47Å; Y246-H250 PolarHBondContact O-ND1 2.89Å; K247-H250 PolarHBondContact O-CE1 2.94Å; K247-H250 PolarHBondContact O-ND1 3.35Å
251	L	93.6	Very high	95.1	Very high	13 Å²	13	32.5 Å²	32.5	7%	0.068	18%	0.176	C	C	.	.	S	Bend	trans	-83.7	-46.2	174.8	-55.7	-179.2	0	0	0	111.2	A105 A107 I117 I138 P139 F217 L236	A105-L251 PolarHBondContact O-N 3.43Å; A107-L251 HydrophobicContact CB-CD1 4.3Å; A107-L251 HydrophobicContact CB-CD2 4.5Å; I117-L251 HydrophobicContact CD1-CD2 3.46Å; I117-L251 VanDerWaalsContact CD1-CD2 3.46Å; I138-L251 HydrophobicContact CG2-CB 3.6Å; I138-L251 HydrophobicContact CG2-CD1 4.49Å; P139-L251 HydrophobicContact CB-CD1 3.87Å; F217-L251 HydrophobicContact CD1-CD1 4.06Å; F217-L251 HydrophobicContact CE1-CD1 4.34Å; L236-L251 HydrophobicContact CD2-CD2 3.69Å
252	A	91.2	Very high	95.1	Very high	17 Å²	17	33.5 Å²	33.5	14%	0.14	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	154.3	172.8	0	0	0	0	0	110.6	A105 I138 V254	A105-A252 PolarHBondContact N-O 2.98Å; I138-A252 HydrophobicContact CD1-CB 3.88Å; I138-A252 HydrophobicContact CG1-CB 4.27Å; I138-A252 HydrophobicContact CG2-CB 3.61Å; A252-V254 HydrophobicContact CB-CG1 4.18Å
253	R	90.3	Very high	94.9	Very high	75 Å²	75	35.3 Å²	35.3	28%	0.283	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	129.1	161.8	-162.1	-177.1	176.7	-161.3	-1.4	107.6	D100 C102 Y104 A687 C688	D100-R253 IonicContact OD2-NH2 3.63Å; D100-R253 PolarHBondContact OD2-NH2 3.43Å; C102-R253 HydrophobicContact CB-CG 4.43Å; Y104-R253 HydrophobicContact CD1-CB 4.05Å; Y104-R253 HydrophobicContact CD1-CG 4.03Å; Y104-R253 HydrophobicContact CE1-CB 3.93Å; Y104-R253 HydrophobicContact CE1-CG 3.74Å; Y104-R253 HydrophobicContact CE2-CG 4.42Å; R253-A687 PolarHBondContact NH1-O 3.48Å; R253-C688 HydrophobicContact CB-CB 4.17Å; R253-C688 HydrophobicContact CG-CB 3.56Å
254	V	89.8	Confident	94.7	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.3	-171.1	-68.5	0	0	0	0	111.6	C102 Y103 I138 A252 Y321	C102-V254 CarbonylContact C-O 3.55Å; C102-V254 VanDerWaalsContact CA-O 3.25Å; C102-V254 WeakPolarHBondContact CA-O 3.4Å; Y103-V254 HydrophobicContact CD1-CG2 3.83Å; Y103-V254 HydrophobicContact CD2-CG2 3.56Å; Y103-V254 HydrophobicContact CE1-CG2 3.53Å; Y103-V254 HydrophobicContact CE2-CG2 3.24Å; Y103-V254 HydrophobicContact CG-CG2 3.86Å; Y103-V254 PolarHBondContact N-O 3.22Å; Y103-V254 VanDerWaalsContact O-CG2 3.31Å; Y103-V254 WeakPolarHBondContact O-CG2 3.09Å; Y103-V254 PolarHBondContact O-N 3.23Å; I138-V254 HydrophobicContact CD1-CG1 3.71Å; I138-V254 HydrophobicContact CG1-CG1 3.7Å; A252-V254 HydrophobicContact CB-CG1 4.18Å; V254-Y321 HydrophobicContact CG1-CD2 4.05Å; V254-Y321 HydrophobicContact CG1-CE2 4.24Å
255	P	92.5	Very high	94.6	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.032	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	147.1	172.9	-27.8	38.5	0	0	0	112.6	Y103 Y316	Y103-P255 WeakPolarHBondContact CE1-O 3.47Å; P255-Y316 HydrophobicContact CB-CD1 4.3Å; P255-Y316 HydrophobicContact CB-CE1 3.83Å; P255-Y316 WeakPolarHBondContact CG-O 3.45Å
256	A	93.7	Very high	94.6	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-63.2	167	176.3	0	0	0	0	0	112.6	E93 Y95 T101 Y316	E93-A256 HydrophobicContact CB-CB 4.34Å; E93-A256 WeakPolarHBondContact O-CB 3.24Å; Y95-A256 HydrophobicContact CD2-CB 4.4Å; Y95-A256 HydrophobicContact CE2-CB 3.55Å; T101-A256 VanDerWaalsContact C-CB 3.5Å; T101-A256 VanDerWaalsContact O-CB 3.23Å; T101-A256 WeakPolarHBondContact O-CB 3.37Å; T101-A256 PolarHBondContact O-N 3.31Å; A256-Y316 WeakPolarHBondContact O-CE1 3.49Å; A256-Y316 PolarHBondContact O-OH 2.98Å
257	H	96.2	Very high	94.6	Very high	7 Å²	7	42.4 Å²	42.4	3%	0.032	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-65.5	150.7	173.8	-64.2	-159.7	0	0	0	109.3	T71 V72 D73 E93 Y95 Y103 Y201 K298	T71-H257 HydrophobicContact CG2-CB 4.2Å; V72-H257 CarbonylContact O-C 3.49Å; V72-H257 VanDerWaalsContact O-CA 3.25Å; V72-H257 WeakPolarHBondContact O-CA 3.39Å; V72-H257 VanDerWaalsContact O-CB 3.27Å; V72-H257 WeakPolarHBondContact O-CB 3.43Å; D73-H257 IonicContact OD1-CD2 3.49Å; D73-H257 IonicContact OD1-CE1 2.8Å; D73-H257 IonicContact OD1-NE2 3.9Å; D73-H257 PolarHBondContact OD1-NE2 2.78Å; E93-H257 HydrophobicContact CG-CB 4.4Å; E93-H257 PolarHBondContact N-O 2.88Å; E93-H257 WeakPolarHBondContact OE2-CB 3.49Å; E93-H257 IonicContact OE2-CG 3.72Å; Y95-H257 PolarHBondContact OH-N 3.12Å; Y103-H257 AromaticContact CE1-CD2 3.98Å; Y201-H257 AromaticContact CE2-CE1 3.89Å; Y201-H257 PolarHBondContact OH-NE2 3.33Å; H257-K298 WeakPolarHBondContact CE1-CE 3.46Å; H257-K298 WeakPolarHBondContact ND1-CE 3.11Å
258	A	97.8	Very high	94.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	144.9	-172.4	0	0	0	0	0	112	T71 V72 V77 P89 I91 Y316	T71-A258 CarbonylContact C-O 3.51Å; T71-A258 WeakPolarHBondContact CA-O 3.45Å; V72-A258 WeakPolarHBondContact CG2-O 3.14Å; V72-A258 PolarHBondContact N-O 2.92Å; V72-A258 PolarHBondContact O-N 3.25Å; V77-A258 HydrophobicContact CG2-CB 4.04Å; P89-A258 HydrophobicContact CB-CB 3.75Å; I91-A258 CarbonylContact O-C 3.59Å; I91-A258 WeakPolarHBondContact O-CA 3.39Å; A258-Y316 HydrophobicContact CB-CE1 3.92Å; A258-Y316 HydrophobicContact CB-CE2 4.13Å
259	V	98.6	Very high	94.8	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	123.4	162	-173.4	0	0	0	0	107.8	W26 A69 I70 P89 I90 I91 I271 L275 F297	W26-V259 HydrophobicContact CH2-CB 4.49Å; W26-V259 HydrophobicContact CH2-CG1 3.73Å; W26-V259 HydrophobicContact CH2-CG2 3.89Å; W26-V259 HydrophobicContact CZ3-CG1 4.17Å; A69-V259 HydrophobicContact CB-CG1 3.84Å; I70-V259 WeakPolarHBondContact O-CA 3.18Å; P89-V259 WeakPolarHBondContact CA-O 3.28Å; I90-V259 HydrophobicContact CD1-CG1 4.32Å; I90-V259 HydrophobicContact CG1-CB 4.35Å; I90-V259 HydrophobicContact CG1-CG1 4.3Å; I90-V259 WeakPolarHBondContact CG1-O 3.39Å; I90-V259 PolarHBondContact N-O 3.11Å; I91-V259 HydrophobicContact CB-CB 3.95Å; I91-V259 HydrophobicContact CB-CG2 3.95Å; I91-V259 HydrophobicContact CD1-CB 4.46Å; I91-V259 HydrophobicContact CD1-CG2 4.45Å; I91-V259 HydrophobicContact CG2-CG2 4.35Å; I91-V259 PolarHBondContact O-N 3.3Å; V259-I271 HydrophobicContact CG1-CG2 4.25Å; V259-L275 HydrophobicContact CG2-CD1 4.49Å; V259-F297 HydrophobicContact CG2-CE1 3.92Å; V259-F297 HydrophobicContact CG2-CZ 4.48Å
260	I	98.5	Very high	94.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	149	176.1	58.1	165.9	0	0	0	111.3	I59 A69 I70 V72 V77 A80 L87 H88 P89	I59-I260 HydrophobicContact CG1-CD1 3.91Å; A69-I260 WeakPolarHBondContact CA-O 3.44Å; I70-I260 HydrophobicContact CG2-CD1 3.92Å; I70-I260 HydrophobicContact CG2-CG1 3.75Å; I70-I260 WeakPolarHBondContact O-CG1 3.36Å; I70-I260 PolarHBondContact O-N 3.47Å; V72-I260 HydrophobicContact CG1-CD1 3.96Å; V72-I260 HydrophobicContact CG1-CG1 4.22Å; V72-I260 HydrophobicContact CG2-CB 4.32Å; V72-I260 HydrophobicContact CG2-CD1 3.86Å; V72-I260 HydrophobicContact CG2-CG1 3.84Å; V72-I260 HydrophobicContact CG2-CG2 3.58Å; V77-I260 HydrophobicContact CG2-CG2 4.31Å; A80-I260 HydrophobicContact CB-CD1 3.42Å; A80-I260 VanDerWaalsContact CB-CD1 3.42Å; L87-I260 HydrophobicContact CD1-CD1 4.11Å; H88-I260 VanDerWaalsContact O-CA 3.28Å; H88-I260 WeakPolarHBondContact O-CA 3.41Å; P89-I260 HydrophobicContact CB-CG2 4.38Å
261	T	98.1	Very high	95	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	-177.9	174.3	-166.2	0	0	0	0	111.7	D68 L87 H88 I90 L267 I271	D68-T261 WeakPolarHBondContact O-CB 3.41Å; D68-T261 PolarHBondContact O-OG1 2.99Å; L87-T261 WeakPolarHBondContact CA-O 3.03Å; L87-T261 WeakPolarHBondContact CB-O 3.33Å; H88-T261 PolarHBondContact N-O 2.96Å; H88-T261 PolarHBondContact O-N 2.8Å; I90-T261 HydrophobicContact CB-CG2 4.37Å; I90-T261 HydrophobicContact CD1-CG2 3.59Å; I90-T261 HydrophobicContact CG1-CG2 3.87Å; I90-T261 HydrophobicContact CG2-CG2 3.62Å; T261-L267 VanDerWaalsContact OG1-CD2 3.31Å; T261-L267 WeakPolarHBondContact OG1-CD2 3.43Å; T261-I271 HydrophobicContact CG2-CD1 3.99Å; T261-I271 WeakPolarHBondContact OG1-CD1 3.26Å
262	R	96.8	Very high	95.1	Very high	42 Å²	42	39.9 Å²	39.9	16%	0.158	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	155.4	173.3	-64.8	178.9	-67.6	-78.5	1.5	110.4	I62 A67 D68 L87 H88 D264	I62-R262 HydrophobicContact CG2-CG 3.99Å; I62-R262 VanDerWaalsContact O-CD 3.26Å; I62-R262 WeakPolarHBondContact O-CD 3.31Å; I62-R262 WeakPolarHBondContact O-CG 3.22Å; I62-R262 PolarHBondContact O-NH1 2.53Å; A67-R262 PolarHBondContact O-NH1 3.37Å; D68-R262 IonicContact OD1-CZ 3.99Å; D68-R262 IonicContact OD1-NH1 2.75Å; D68-R262 IonicContact OD1-NH2 2.95Å; D68-R262 PolarHBondContact OD1-NH2 2.91Å; L87-R262 HydrophobicContact CD2-CG 3.92Å; H88-R262 PolarHBondContact NE2-O 3.4Å; R262-D264 PolarHBondContact O-N 2.97Å
263	K	93.6	Very high	95.4	Very high	122 Å²	122	44.2 Å²	44.2	53%	0.53	21%	0.211	S	C	.	.	S	Bend	trans	-66.4	77.6	173.4	-66.1	179.4	-175.4	165	0	112.4	D86 H88	D86-K263 WeakPolarHBondContact OD1-CE 3.11Å; D86-K263 IonicContact OD1-NZ 2.76Å; D86-K263 PolarHBondContact OD1-NZ 3.12Å; D86-K263 WeakPolarHBondContact OD2-CE 3.24Å; D86-K263 IonicContact OD2-NZ 3.51Å; D86-K263 PolarHBondContact OD2-NZ 3.24Å; H88-K263 VanDerWaalsContact CD2-CG 3.45Å; H88-K263 WeakPolarHBondContact CD2-CG 3.24Å; H88-K263 WeakPolarHBondContact NE2-CA 3.48Å
264	D	94.1	Very high	95.7	Very high	66 Å²	66	41.2 Å²	41.2	35%	0.353	20%	0.202	S	C	.	.			trans	-145	106.1	-179.7	179.7	-17.4	0	0	0	108.8	R262 E266 L267 A268	R262-D264 PolarHBondContact O-N 2.97Å; D264-E266 VanDerWaalsContact C-N 3.29Å; D264-E266 PolarHBondContact O-N 3.32Å; D264-E266 PolarHBondContact OD1-N 3.36Å; D264-L267 HydrophobicContact CB-CB 3.77Å; D264-L267 PolarHBondContact O-N 3.32Å; D264-L267 PolarHBondContact OD1-N 2.99Å; D264-L267 VanDerWaalsContact OD1-N 3.11Å; D264-A268 WeakPolarHBondContact O-CB 3.43Å; D264-A268 PolarHBondContact O-N 3.03Å
265	P	92.9	Very high	96	Very high	103 Å²	103	41.5 Å²	41.5	67%	0.669	20%	0.203	S	C	*	.	H	α-helix	trans	-60.3	-34.2	-178.6	-25.5	35.2	0	0	0	114.2	A268 K269	P265-A268 PolarHBondContact O-N 3.37Å; P265-K269 WeakPolarHBondContact O-CB 3.49Å; P265-K269 PolarHBondContact O-N 2.92Å
266	E	95	Very high	96.1	Very high	132 Å²	132	43.9 Å²	43.9	62%	0.617	22%	0.22	S	C	*	.	H	α-helix	trans	-73.1	-39.6	180	-64.7	-57.5	133.9	0	0	110.6	D264 K269 L270	D264-E266 VanDerWaalsContact C-N 3.29Å; D264-E266 PolarHBondContact O-N 3.32Å; D264-E266 PolarHBondContact OD1-N 3.36Å; E266-K269 PolarHBondContact O-N 3.05Å; E266-L270 WeakPolarHBondContact O-CB 3.34Å; E266-L270 PolarHBondContact O-N 3.2Å
267	L	95.9	Very high	96	Very high	14 Å²	14	46.3 Å²	46.3	7%	0.073	24%	0.244	C	C	.	.	H	α-helix	trans	-64.4	-43.7	172.5	-179	61.2	0	0	0	111.8	D68 T261 D264 K269 L270 I271	D68-L267 HydrophobicContact CB-CD1 4.19Å; T261-L267 VanDerWaalsContact OG1-CD2 3.31Å; T261-L267 WeakPolarHBondContact OG1-CD2 3.43Å; D264-L267 HydrophobicContact CB-CB 3.77Å; D264-L267 PolarHBondContact O-N 3.32Å; D264-L267 PolarHBondContact OD1-N 2.99Å; D264-L267 VanDerWaalsContact OD1-N 3.11Å; L267-K269 VanDerWaalsContact C-N 3.3Å; L267-K269 PolarHBondContact O-N 2.94Å; L267-L270 HydrophobicContact CD1-CD2 4.42Å; L267-L270 PolarHBondContact O-N 3.16Å; L267-I271 HydrophobicContact CD1-CD1 4.12Å; L267-I271 HydrophobicContact CD1-CG1 4.31Å; L267-I271 HydrophobicContact CG-CD1 3.83Å; L267-I271 HydrophobicContact CG-CG1 4.47Å; L267-I271 WeakPolarHBondContact O-CD1 3.47Å; L267-I271 VanDerWaalsContact O-CG1 3.26Å; L267-I271 WeakPolarHBondContact O-CG1 3.5Å; L267-I271 PolarHBondContact O-N 3.08Å
268	A	96.1	Very high	95.9	Very high	18 Å²	18	47 Å²	47	15%	0.149	25%	0.25	C	C	.	.	H	α-helix	trans	-59.7	-43.4	177.3	0	0	0	0	0	111.4	I90 D264 P265 I271 W272	I90-A268 HydrophobicContact CB-CB 4.4Å; I90-A268 HydrophobicContact CD1-CB 4.32Å; I90-A268 HydrophobicContact CG2-CB 3.8Å; D264-A268 WeakPolarHBondContact O-CB 3.43Å; D264-A268 PolarHBondContact O-N 3.03Å; P265-A268 PolarHBondContact O-N 3.37Å; A268-I271 PolarHBondContact O-N 3.38Å; A268-W272 WeakPolarHBondContact O-CB 3.35Å; A268-W272 PolarHBondContact O-N 3.02Å
269	K	95.8	Very high	95.2	Very high	107 Å²	107	54.7 Å²	54.7	47%	0.465	29%	0.285	S	S	.	.	H	α-helix	trans	-61.8	-47.2	173.9	-177.4	-180	173.8	-174.3	0	111.8	P265 E266 L267 I271 W272 E273	P265-K269 WeakPolarHBondContact O-CB 3.49Å; P265-K269 PolarHBondContact O-N 2.92Å; E266-K269 PolarHBondContact O-N 3.05Å; L267-K269 VanDerWaalsContact C-N 3.3Å; L267-K269 PolarHBondContact O-N 2.94Å; K269-I271 VanDerWaalsContact C-N 3.32Å; K269-I271 PolarHBondContact O-N 2.97Å; K269-W272 PolarHBondContact O-N 3.27Å; K269-E273 WeakPolarHBondContact CE-OE1 3.09Å; K269-E273 HydrophobicContact CG-CG 4.32Å; K269-E273 IonicContact NZ-OE1 3.87Å; K269-E273 WeakPolarHBondContact O-CB 3.45Å; K269-E273 WeakPolarHBondContact O-CG 3.3Å; K269-E273 PolarHBondContact O-N 3.17Å
270	L	96.6	Very high	94.6	Very high	45 Å²	45	61.8 Å²	61.8	24%	0.236	32%	0.323	C	S	.	.	H	α-helix	trans	-57.5	-44.2	176.6	176.9	65.4	0	0	0	111.7	A22 V24 E266 L267 S274	A22-L270 HydrophobicContact CB-CD2 3.81Å; V24-L270 HydrophobicContact CG2-CD2 4.36Å; V24-L270 HydrophobicContact CG2-CG 4.02Å; E266-L270 WeakPolarHBondContact O-CB 3.34Å; E266-L270 PolarHBondContact O-N 3.2Å; L267-L270 HydrophobicContact CD1-CD2 4.42Å; L267-L270 PolarHBondContact O-N 3.16Å; L270-S274 WeakPolarHBondContact O-CB 3.36Å; L270-S274 PolarHBondContact O-N 3.03Å; L270-S274 PolarHBondContact O-OG 3.1Å
271	I	97.8	Very high	94.4	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.2	-47.1	178	-67.1	159.2	0	0	0	110.6	V24 W26 A69 I90 I91 V259 T261 L267 A268 K269 S274 L275	V24-I271 HydrophobicContact CG1-CG1 3.98Å; V24-I271 HydrophobicContact CG2-CG1 4.11Å; W26-I271 HydrophobicContact CZ3-CG2 4.3Å; A69-I271 HydrophobicContact CB-CD1 3.93Å; A69-I271 HydrophobicContact CB-CG1 4.36Å; A69-I271 HydrophobicContact CB-CG2 4.38Å; I90-I271 HydrophobicContact CD1-CB 3.9Å; I90-I271 HydrophobicContact CD1-CD1 3.76Å; I90-I271 HydrophobicContact CD1-CG1 4.46Å; I90-I271 HydrophobicContact CD1-CG2 3.76Å; I91-I271 HydrophobicContact CD1-CG2 3.96Å; V259-I271 HydrophobicContact CG1-CG2 4.25Å; T261-I271 HydrophobicContact CG2-CD1 3.99Å; T261-I271 WeakPolarHBondContact OG1-CD1 3.26Å; L267-I271 HydrophobicContact CD1-CD1 4.12Å; L267-I271 HydrophobicContact CD1-CG1 4.31Å; L267-I271 HydrophobicContact CG-CD1 3.83Å; L267-I271 HydrophobicContact CG-CG1 4.47Å; L267-I271 WeakPolarHBondContact O-CD1 3.47Å; L267-I271 VanDerWaalsContact O-CG1 3.26Å; L267-I271 WeakPolarHBondContact O-CG1 3.5Å; L267-I271 PolarHBondContact O-N 3.08Å; A268-I271 PolarHBondContact O-N 3.38Å; K269-I271 VanDerWaalsContact C-N 3.32Å; K269-I271 PolarHBondContact O-N 2.97Å; I271-S274 PolarHBondContact O-N 3.25Å; I271-L275 HydrophobicContact CG2-CD1 3.84Å; I271-L275 WeakPolarHBondContact O-CB 3.09Å; I271-L275 WeakPolarHBondContact O-CG 3.44Å; I271-L275 PolarHBondContact O-N 3.4Å
272	W	97.2	Very high	94.2	Very high	82 Å²	82	68.4 Å²	68.4	31%	0.311	36%	0.357	S	S	.	.	H	α-helix	trans	-61	-49.1	178.5	171.6	-107.3	0	0	0	112.5	I91 A268 K269 S274 L275 S276 L304 P306	I91-W272 HydrophobicContact CD1-CB 4.34Å; I91-W272 HydrophobicContact CD1-CE3 3.88Å; I91-W272 HydrophobicContact CG1-CE3 3.96Å; I91-W272 HydrophobicContact CG2-CE3 4.37Å; I91-W272 HydrophobicContact CG2-CZ3 4.23Å; A268-W272 WeakPolarHBondContact O-CB 3.35Å; A268-W272 PolarHBondContact O-N 3.02Å; K269-W272 PolarHBondContact O-N 3.27Å; W272-S274 VanDerWaalsContact C-N 3.34Å; W272-S274 PolarHBondContact O-N 3.11Å; W272-L275 PolarHBondContact O-N 3.49Å; W272-S276 WeakPolarHBondContact CZ2-OG 3.27Å; W272-S276 VanDerWaalsContact O-CB 3.27Å; W272-S276 WeakPolarHBondContact O-CB 3.29Å; W272-S276 PolarHBondContact O-N 3.27Å; W272-S276 PolarHBondContact O-OG 2.82Å; W272-L304 HydrophobicContact CZ3-CB 4.03Å; W272-P306 HydrophobicContact CD2-CB 4.38Å; W272-P306 HydrophobicContact CE3-CB 4.3Å; W272-P306 HydrophobicContact CH2-CG 4.28Å; W272-P306 HydrophobicContact CZ2-CG 4.25Å; W272-P306 HydrophobicContact CZ3-CB 4.42Å
273	E	96.1	Very high	94.2	Very high	107 Å²	107	67 Å²	67	50%	0.5	35%	0.353	S	S	.	.	H	α-helix	trans	-64	-40.5	179.1	-71.3	177.1	171.3	0	0	111.2	K269 S276 G277	K269-E273 WeakPolarHBondContact CE-OE1 3.09Å; K269-E273 HydrophobicContact CG-CG 4.32Å; K269-E273 IonicContact NZ-OE1 3.87Å; K269-E273 WeakPolarHBondContact O-CB 3.45Å; K269-E273 WeakPolarHBondContact O-CG 3.3Å; K269-E273 PolarHBondContact O-N 3.17Å; E273-S276 PolarHBondContact O-N 3.49Å; E273-G277 PolarHBondContact O-N 3.32Å
274	S	96.5	Very high	94.3	Very high	13 Å²	13	63.1 Å²	63.1	9%	0.091	34%	0.336	C	S	.	.	H	α-helix	trans	-64.8	-42.6	178.1	-61.1	0	0	0	0	112.4	V24 F47 L270 I271 W272 V278	V24-S274 WeakPolarHBondContact CG2-OG 3.23Å; F47-S274 WeakPolarHBondContact CE2-O 3.28Å; L270-S274 WeakPolarHBondContact O-CB 3.36Å; L270-S274 PolarHBondContact O-N 3.03Å; L270-S274 PolarHBondContact O-OG 3.1Å; I271-S274 PolarHBondContact O-N 3.25Å; W272-S274 VanDerWaalsContact C-N 3.34Å; W272-S274 PolarHBondContact O-N 3.11Å; S274-V278 WeakPolarHBondContact O-CG2 3.32Å
275	L	96.4	Very high	94.3	Very high	6 Å²	6	61.4 Å²	61.4	3%	0.031	33%	0.329	C	S	.	.	H	α-helix	trans	-69.8	-43.4	176.9	-74.7	166.8	0	0	0	111.9	W26 F47 I91 V259 I271 W272 G277 V278 L283 F297 L304	W26-L275 HydrophobicContact CH2-CD1 3.96Å; W26-L275 HydrophobicContact CH2-CD2 4.19Å; W26-L275 HydrophobicContact CZ3-CD1 3.91Å; W26-L275 HydrophobicContact CZ3-CD2 4.08Å; W26-L275 HydrophobicContact CZ3-CG 4.29Å; F47-L275 HydrophobicContact CE1-CD2 4.08Å; F47-L275 HydrophobicContact CE1-CG 4.38Å; F47-L275 HydrophobicContact CZ-CD2 3.8Å; F47-L275 HydrophobicContact CZ-CG 4.05Å; I91-L275 HydrophobicContact CD1-CD1 3.58Å; V259-L275 HydrophobicContact CG2-CD1 4.49Å; I271-L275 HydrophobicContact CG2-CD1 3.84Å; I271-L275 WeakPolarHBondContact O-CB 3.09Å; I271-L275 WeakPolarHBondContact O-CG 3.44Å; I271-L275 PolarHBondContact O-N 3.4Å; W272-L275 PolarHBondContact O-N 3.49Å; L275-G277 PolarHBondContact O-N 2.89Å; L275-V278 PolarHBondContact O-N 3.08Å; L275-L283 HydrophobicContact CD2-CD1 4.35Å; L275-F297 HydrophobicContact CD1-CZ 4.42Å; L275-F297 HydrophobicContact CD2-CE2 4.17Å; L275-F297 HydrophobicContact CD2-CZ 3.79Å; L275-L304 HydrophobicContact CB-CD1 4.13Å; L275-L304 HydrophobicContact CD1-CD1 4.01Å; L275-L304 HydrophobicContact CD2-CD1 4.46Å; L275-L304 HydrophobicContact CG-CD1 4.44Å
276	S	93.7	Very high	94.4	Very high	56 Å²	56	56.5 Å²	56.5	39%	0.392	30%	0.297	S	S	.	.	H	α-helix	trans	-68	-25.6	179.9	-56.7	0	0	0	0	112.8	W272 E273 V278	W272-S276 WeakPolarHBondContact CZ2-OG 3.27Å; W272-S276 VanDerWaalsContact O-CB 3.27Å; W272-S276 WeakPolarHBondContact O-CB 3.29Å; W272-S276 PolarHBondContact O-N 3.27Å; W272-S276 PolarHBondContact O-OG 2.82Å; E273-S276 PolarHBondContact O-N 3.49Å; S276-V278 VanDerWaalsContact C-N 3.31Å; S276-V278 PolarHBondContact O-N 3.01Å
277	G	92.8	Very high	94.4	Very high	50 Å²	50	57.8 Å²	57.8	52%	0.515	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-6.7	177.1	0	0	0	0	0	115.2	E273 L275 Q279	E273-G277 PolarHBondContact O-N 3.32Å; L275-G277 PolarHBondContact O-N 2.89Å; G277-Q279 PolarHBondContact O-N 3.33Å
278	V	93.4	Very high	94.2	Very high	23 Å²	23	61.5 Å²	61.5	14%	0.139	34%	0.336	C	S	.	.			trans	-75.7	111.8	-178.9	-179.1	0	0	0	0	110.5	L40 F47 S274 L275 S276 F281 L283	L40-V278 HydrophobicContact CD1-CG1 4.07Å; L40-V278 HydrophobicContact CD1-CG2 4.09Å; F47-V278 HydrophobicContact CE2-CG2 3.77Å; F47-V278 HydrophobicContact CZ-CG2 4.4Å; S274-V278 WeakPolarHBondContact O-CG2 3.32Å; L275-V278 PolarHBondContact O-N 3.08Å; S276-V278 VanDerWaalsContact C-N 3.31Å; S276-V278 PolarHBondContact O-N 3.01Å; V278-F281 HydrophobicContact CG1-CB 3.75Å; V278-L283 HydrophobicContact CB-CD1 4.17Å; V278-L283 HydrophobicContact CG1-CD1 4.37Å; V278-L283 HydrophobicContact CG1-CD2 4.36Å; V278-L283 HydrophobicContact CG1-CG 4.17Å; V278-L283 HydrophobicContact CG2-CD1 4.38Å
279	Q	84	Confident	94	Very high	160 Å²	160	62.7 Å²	62.7	75%	0.748	34%	0.337	S	S	*	.			trans	-110.8	-25.2	-178.2	-65.4	-70.5	-40.6	0	0	113.9	G277	G277-Q279 PolarHBondContact O-N 3.33Å
280	N	86.3	Confident	93.5	Very high	150 Å²	150	60 Å²	60	80%	0.802	34%	0.34	S	S	*	.	S	Bend	trans	-116.6	26.2	-171	-64.4	-37.5	0	0	0	113.8
281	F	94.1	Very high	93	Very high	38 Å²	38	64.3 Å²	64.3	17%	0.167	37%	0.371	C	S	.	.	S	Bend	trans	-147.2	130.9	179.2	-173.7	-88.5	0	0	0	109.6	K36 D39 L40 A43 V278 L283	K36-F281 HydrophobicContact CG-CE1 4.3Å; K36-F281 HydrophobicContact CG-CZ 3.82Å; K36-F281 WeakPolarHBondContact O-CZ 3.33Å; D39-F281 HydrophobicContact CB-CE2 3.81Å; D39-F281 HydrophobicContact CB-CZ 4.49Å; L40-F281 HydrophobicContact CB-CD1 4.22Å; L40-F281 HydrophobicContact CB-CD2 4.47Å; L40-F281 HydrophobicContact CB-CE1 3.92Å; L40-F281 HydrophobicContact CB-CE2 4.19Å; L40-F281 HydrophobicContact CB-CG 4.48Å; L40-F281 HydrophobicContact CB-CZ 3.89Å; L40-F281 HydrophobicContact CD1-CB 4.23Å; L40-F281 HydrophobicContact CD1-CD1 3.74Å; L40-F281 HydrophobicContact CD1-CE1 4.23Å; L40-F281 HydrophobicContact CD1-CG 3.98Å; A43-F281 HydrophobicContact CB-CB 4.03Å; A43-F281 HydrophobicContact CB-CD2 4.13Å; A43-F281 HydrophobicContact CB-CG 4.46Å; V278-F281 HydrophobicContact CG1-CB 3.75Å; F281-L283 HydrophobicContact CD1-CD2 3.98Å; F281-L283 HydrophobicContact CD1-CG 4.4Å; F281-L283 HydrophobicContact CE1-CD2 4.34Å; F281-L283 PolarHBondContact O-N 2.98Å; F281-L283 VanDerWaalsContact O-N 3.13Å
282	N	94.3	Very high	92.5	Very high	102 Å²	102	64.8 Å²	64.8	55%	0.545	37%	0.374	S	S	.	.			trans	-82.3	94.2	177.1	-170.2	-14.8	0	0	0	110.1	F284 S285	N282-F284 PolarHBondContact O-N 3.05Å; N282-F284 PolarHBondContact OD1-N 3.27Å; N282-F284 VanDerWaalsContact OD1-N 3.13Å; N282-S285 VanDerWaalsContact CG-CB 3.49Å; N282-S285 VanDerWaalsContact ND2-CB 3.28Å; N282-S285 WeakPolarHBondContact ND2-CB 3.34Å; N282-S285 PolarHBondContact O-N 3.24Å; N282-S285 PolarHBondContact OD1-N 2.98Å
283	L	95	Very high	92.3	Very high	14 Å²	14	65.3 Å²	65.3	7%	0.073	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-34.2	179.1	-69.6	172.7	0	0	0	112.5	K36 L40 L275 V278 F281 F297	K36-L283 WeakPolarHBondContact CE-O 3.31Å; K36-L283 PolarHBondContact NZ-O 2.67Å; L40-L283 HydrophobicContact CD1-CD2 3.81Å; L40-L283 HydrophobicContact CD2-CD2 3.94Å; L275-L283 HydrophobicContact CD2-CD1 4.35Å; V278-L283 HydrophobicContact CB-CD1 4.17Å; V278-L283 HydrophobicContact CG1-CD1 4.37Å; V278-L283 HydrophobicContact CG1-CD2 4.36Å; V278-L283 HydrophobicContact CG1-CG 4.17Å; V278-L283 HydrophobicContact CG2-CD1 4.38Å; F281-L283 HydrophobicContact CD1-CD2 3.98Å; F281-L283 HydrophobicContact CD1-CG 4.4Å; F281-L283 HydrophobicContact CE1-CD2 4.34Å; F281-L283 PolarHBondContact O-N 2.98Å; F281-L283 VanDerWaalsContact O-N 3.13Å; L283-F297 HydrophobicContact CB-CD2 4.36Å; L283-F297 HydrophobicContact CD2-CE2 4.34Å
284	F	95.4	Very high	92.1	Very high	40 Å²	40	60.9 Å²	60.9	18%	0.175	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	20.9	-170.3	-40.6	-45.8	0	0	0	112.9	N282 F297 D299 T301 L304	N282-F284 PolarHBondContact O-N 3.05Å; N282-F284 PolarHBondContact OD1-N 3.27Å; N282-F284 VanDerWaalsContact OD1-N 3.13Å; F284-F297 HydrophobicContact CD1-CB 3.84Å; F284-F297 HydrophobicContact CD1-CG 4.12Å; F284-F297 HydrophobicContact CE1-CB 4.38Å; F284-F297 HydrophobicContact CE1-CD1 4.41Å; F284-F297 HydrophobicContact CE1-CG 4.19Å; F284-D299 VanDerWaalsContact O-CA 3.24Å; F284-D299 WeakPolarHBondContact O-CA 3.17Å; F284-T301 VanDerWaalsContact CB-O 3.31Å; F284-T301 WeakPolarHBondContact CB-O 3.42Å; F284-T301 HydrophobicContact CD1-CG2 3.71Å; F284-T301 HydrophobicContact CD2-CG2 4.23Å; F284-T301 WeakPolarHBondContact CD2-O 3.1Å; F284-T301 HydrophobicContact CE1-CG2 3.69Å; F284-T301 HydrophobicContact CE2-CG2 4.2Å; F284-T301 HydrophobicContact CG-CG2 4.01Å; F284-T301 WeakPolarHBondContact CG-O 3.39Å; F284-T301 HydrophobicContact CZ-CG2 3.96Å; F284-L304 HydrophobicContact CE1-CD1 4.42Å; F284-L304 HydrophobicContact CE1-CD2 4.18Å; F284-L304 HydrophobicContact CE1-CG 4.11Å; F284-L304 HydrophobicContact CZ-CD1 4.39Å; F284-L304 HydrophobicContact CZ-CD2 4.39Å; F284-L304 HydrophobicContact CZ-CG 3.91Å
285	S	95.3	Very high	92.1	Very high	30 Å²	30	60.3 Å²	60.3	21%	0.21	35%	0.354	C	S	.	.			trans	-122.4	135.4	170.3	178.6	0	0	0	0	111.6	K36 N282 E287	K36-S285 WeakPolarHBondContact CE-O 3.24Å; K36-S285 PolarHBondContact NZ-O 3.4Å; N282-S285 VanDerWaalsContact CG-CB 3.49Å; N282-S285 VanDerWaalsContact ND2-CB 3.28Å; N282-S285 WeakPolarHBondContact ND2-CB 3.34Å; N282-S285 PolarHBondContact O-N 3.24Å; N282-S285 PolarHBondContact OD1-N 2.98Å; S285-E287 PolarHBondContact OG-N 3.04Å
286	S	95.3	Very high	92	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	36%	0.356	C	S	.	.			trans	-109.7	5.6	172.5	-53.6	0	0	0	0	112.6	A288 Y289 G290 D294 L295 D299	S286-A288 VanDerWaalsContact C-N 3.34Å; S286-A288 PolarHBondContact O-N 3.3Å; S286-Y289 CarbonylContact O-C 3.53Å; S286-Y289 WeakPolarHBondContact O-CA 3.04Å; S286-Y289 PolarHBondContact O-N 3.48Å; S286-G290 PolarHBondContact O-N 3.14Å; S286-D294 PolarHBondContact OG-N 3.24Å; S286-L295 PolarHBondContact OG-N 3.4Å; S286-D299 VanDerWaalsContact CB-OD1 3.27Å; S286-D299 WeakPolarHBondContact CB-OD1 3.25Å; S286-D299 WeakPolarHBondContact CB-OD2 3.36Å; S286-D299 PolarHBondContact N-OD1 3.05Å; S286-D299 PolarHBondContact OG-OD1 2.84Å; S286-D299 PolarHBondContact OG-OD2 2.82Å
287	E	93.6	Very high	92.2	Very high	158 Å²	158	58 Å²	58	74%	0.738	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-56.3	-43	-173.1	-173.3	177.7	-172.7	0	0	113.3	S285 Y289 G290	S285-E287 PolarHBondContact OG-N 3.04Å; E287-Y289 PolarHBondContact O-N 2.89Å; E287-Y289 VanDerWaalsContact O-N 3.11Å; E287-G290 PolarHBondContact O-N 2.95Å
288	A	93.3	Very high	92.3	Very high	93 Å²	93	56 Å²	56	77%	0.769	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-65.3	-13.3	177.7	0	0	0	0	0	114	S286	S286-A288 VanDerWaalsContact C-N 3.34Å; S286-A288 PolarHBondContact O-N 3.3Å
289	Y	91.6	Very high	92.3	Very high	42 Å²	42	57.1 Å²	57.1	17%	0.165	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-114.5	18.4	-176.3	-48.4	-85.2	0	0	0	112.1	R35 K36 D39 S286 E287 A292 L295	R35-Y289 HydrophobicContact CB-CD1 4.47Å; R35-Y289 HydrophobicContact CB-CE1 4.5Å; K36-Y289 HydrophobicContact CB-CD1 4.25Å; K36-Y289 HydrophobicContact CB-CD2 4.24Å; K36-Y289 HydrophobicContact CB-CE1 3.88Å; K36-Y289 HydrophobicContact CB-CE2 3.88Å; K36-Y289 HydrophobicContact CB-CG 4.42Å; K36-Y289 HydrophobicContact CD-CD2 4.22Å; K36-Y289 HydrophobicContact CD-CE2 3.95Å; K36-Y289 HydrophobicContact CG-CD2 4.24Å; K36-Y289 HydrophobicContact CG-CE1 4.45Å; K36-Y289 HydrophobicContact CG-CE2 3.63Å; D39-Y289 WeakPolarHBondContact CB-OH 3.04Å; D39-Y289 WeakPolarHBondContact OD2-CE1 3.48Å; D39-Y289 PolarHBondContact OD2-OH 3.46Å; D39-Y289 VanDerWaalsContact OD2-OH 3.09Å; S286-Y289 CarbonylContact O-C 3.53Å; S286-Y289 WeakPolarHBondContact O-CA 3.04Å; S286-Y289 PolarHBondContact O-N 3.48Å; E287-Y289 PolarHBondContact O-N 2.89Å; E287-Y289 VanDerWaalsContact O-N 3.11Å; Y289-A292 PolarHBondContact O-N 2.85Å; Y289-L295 HydrophobicContact CD2-CD1 4.09Å; Y289-L295 HydrophobicContact CG-CD1 3.81Å
290	G	85.5	Confident	92.7	Very high	52 Å²	52	51.1 Å²	51.1	54%	0.536	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	147.4	178.2	0	0	0	0	0	112.9	S286 E287	S286-G290 PolarHBondContact O-N 3.14Å; E287-G290 PolarHBondContact O-N 2.95Å
291	P	85.4	Confident	93	Very high	135 Å²	135	44.3 Å²	44.3	88%	0.877	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.5	-0.1	10.3	33.8	-36.7	0	0	0	115
292	A	87.5	Confident	92.9	Very high	9 Å²	9	48.6 Å²	48.6	7%	0.074	28%	0.28	C	S	.	.			trans	-68	147.2	-178.2	0	0	0	0	0	112.2	Q32 Q194 Y289 L295	Q32-A292 HydrophobicContact CB-CB 4.24Å; Q32-A292 HydrophobicContact CG-CB 4.12Å; Q194-A292 HydrophobicContact CB-CB 4.37Å; Q194-A292 HydrophobicContact CG-CB 4.13Å; Y289-A292 PolarHBondContact O-N 2.85Å; A292-L295 HydrophobicContact CB-CD1 4.3Å; A292-L295 HydrophobicContact CB-CD2 3.96Å; A292-L295 HydrophobicContact CB-CG 4.34Å
293	K	92	Very high	92.9	Very high	93 Å²	93	49.2 Å²	49.2	40%	0.404	28%	0.278	S	S	.	.			trans	-127.4	161.3	-179.2	-67	-70.2	-175.5	174.4	0	110.2	Q194 L295 D299	Q194-K293 PolarHBondContact NE2-O 2.87Å; Q194-K293 VanDerWaalsContact NE2-O 3.11Å; K293-L295 VanDerWaalsContact C-N 3.32Å; K293-L295 PolarHBondContact O-N 2.77Å; K293-D299 WeakPolarHBondContact CD-OD2 3.33Å
294	D	93.3	Very high	92.8	Very high	15 Å²	15	49.7 Å²	49.7	8%	0.08	28%	0.28	C	S	.	.	S	Bend	trans	56.3	41.5	174	-67.5	-27.1	0	0	0	113.8	S286 F297 K298 D299	S286-D294 PolarHBondContact OG-N 3.24Å; D294-F297 CarbonylContact C-O 3.56Å; D294-F297 WeakPolarHBondContact CA-O 3.33Å; D294-K298 HydrophobicContact CB-CD 3.65Å; D294-K298 WeakPolarHBondContact OD1-CA 3.49Å; D294-K298 WeakPolarHBondContact OD1-CD 3.06Å; D294-K298 WeakPolarHBondContact OD2-CD 3.5Å; D294-K298 IonicContact OD2-NZ 3.22Å; D294-K298 PolarHBondContact OD2-NZ 2.85Å; D294-D299 PolarHBondContact N-OD2 2.92Å; D294-D299 VanDerWaalsContact N-OD2 3.16Å; D294-D299 PolarHBondContact OD1-N 2.79Å
295	L	95.1	Very high	92.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.281	C	S	.	.			trans	-78.5	123.4	179.8	-61.2	178.7	0	0	0	110.7	Q32 E33 K36 Q194 S286 Y289 A292 K293 F297	Q32-L295 HydrophobicContact CB-CD1 4.16Å; Q32-L295 HydrophobicContact CB-CD2 3.84Å; E33-L295 HydrophobicContact CG-CB 4.15Å; E33-L295 HydrophobicContact CG-CD2 3.7Å; K36-L295 HydrophobicContact CB-CD1 4.44Å; K36-L295 HydrophobicContact CD-CB 3.55Å; K36-L295 HydrophobicContact CD-CD1 4.35Å; K36-L295 WeakPolarHBondContact CD-O 3.41Å; K36-L295 WeakPolarHBondContact CE-O 3.03Å; K36-L295 PolarHBondContact NZ-O 3.25Å; Q194-L295 HydrophobicContact CG-CD2 3.95Å; S286-L295 PolarHBondContact OG-N 3.4Å; Y289-L295 HydrophobicContact CD2-CD1 4.09Å; Y289-L295 HydrophobicContact CG-CD1 3.81Å; A292-L295 HydrophobicContact CB-CD1 4.3Å; A292-L295 HydrophobicContact CB-CD2 3.96Å; A292-L295 HydrophobicContact CB-CG 4.34Å; K293-L295 VanDerWaalsContact C-N 3.32Å; K293-L295 PolarHBondContact O-N 2.77Å; L295-F297 PolarHBondContact O-N 3.45Å
296	M	95.7	Very high	92.7	Very high	12 Å²	12	51 Å²	51	6%	0.059	29%	0.292	C	S	.	.	S	Bend	trans	64.9	-43.7	-176.7	-54.3	170	68	0	0	115.2	W26 V28 E33 K36 C37 L40 T71	W26-M296 VanDerWaalsContact CD1-CE 3.45Å; W26-M296 HydrophobicContact CD2-CE 4.37Å; W26-M296 HydrophobicContact CG-CE 3.93Å; V28-M296 HydrophobicContact CG1-CG 4.3Å; E33-M296 HydrophobicContact CB-CG 4.45Å; K36-M296 HydrophobicContact CB-SD 4.17Å; K36-M296 HydrophobicContact CD-CG 4.46Å; K36-M296 HydrophobicContact CD-SD 4.13Å; K36-M296 HydrophobicContact CG-SD 3.85Å; C37-M296 HydrophobicContact CB-CE 3.91Å; C37-M296 HydrophobicContact CB-SD 3.77Å; L40-M296 HydrophobicContact CD2-CE 3.79Å; T71-M296 WeakPolarHBondContact CB-O 3.43Å; T71-M296 PolarHBondContact OG1-O 2.95Å
297	F	96.6	Very high	92.6	Very high	3 Å²	3	51.7 Å²	51.7	1%	0.013	30%	0.296	C	S	.	.	S	Bend	trans	-134.7	160.8	175.5	-65.7	-81	0	0	0	108.7	W26 T71 E93 V259 L275 L283 F284 D294 L295 L304	W26-F297 HydrophobicContact CH2-CE1 4.2Å; W26-F297 HydrophobicContact CH2-CE2 4.3Å; W26-F297 AromaticContact CH2-CZ 3.5Å; W26-F297 HydrophobicContact CH2-CZ 3.5Å; W26-F297 HydrophobicContact CZ2-CE1 4.1Å; W26-F297 AromaticContact CZ2-CE2 3.9Å; W26-F297 HydrophobicContact CZ2-CE2 3.9Å; W26-F297 AromaticContact CZ2-CZ 3.42Å; W26-F297 HydrophobicContact CZ2-CZ 3.42Å; W26-F297 VanDerWaalsContact CZ2-CZ 3.42Å; T71-F297 HydrophobicContact CG2-CD1 4.11Å; T71-F297 HydrophobicContact CG2-CE1 4.43Å; T71-F297 WeakPolarHBondContact OG1-CD1 3.44Å; T71-F297 WeakPolarHBondContact OG1-CE1 3.35Å; E93-F297 WeakPolarHBondContact OE1-CA 3.37Å; E93-F297 WeakPolarHBondContact OE1-CB 3.34Å; V259-F297 HydrophobicContact CG2-CE1 3.92Å; V259-F297 HydrophobicContact CG2-CZ 4.48Å; L275-F297 HydrophobicContact CD1-CZ 4.42Å; L275-F297 HydrophobicContact CD2-CE2 4.17Å; L275-F297 HydrophobicContact CD2-CZ 3.79Å; L283-F297 HydrophobicContact CB-CD2 4.36Å; L283-F297 HydrophobicContact CD2-CE2 4.34Å; F284-F297 HydrophobicContact CD1-CB 3.84Å; F284-F297 HydrophobicContact CD1-CG 4.12Å; F284-F297 HydrophobicContact CE1-CB 4.38Å; F284-F297 HydrophobicContact CE1-CD1 4.41Å; F284-F297 HydrophobicContact CE1-CG 4.19Å; D294-F297 CarbonylContact C-O 3.56Å; D294-F297 WeakPolarHBondContact CA-O 3.33Å; L295-F297 PolarHBondContact O-N 3.45Å; F297-L304 HydrophobicContact CD1-CD2 4.2Å; F297-L304 HydrophobicContact CE1-CD1 4.23Å; F297-L304 HydrophobicContact CE1-CD2 4Å; F297-L304 HydrophobicContact CZ-CD1 4.4Å
298	K	94.8	Very high	92.5	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.035	27%	0.267	C	S	.	.			trans	-68	138.9	173.6	-62.8	-54.5	-177.5	169.9	0	111.2	E93 Y95 D200 Y201 H257 D294 S300 T301	E93-K298 PolarHBondContact OE1-N 2.92Å; E93-K298 WeakPolarHBondContact OE2-CB 3.44Å; E93-K298 WeakPolarHBondContact OE2-CG 3.2Å; Y95-K298 HydrophobicContact CE1-CB 4.09Å; Y95-K298 HydrophobicContact CE1-CG 4.44Å; D200-K298 IonicContact OD1-NZ 3.93Å; D200-K298 PolarHBondContact OD1-NZ 3.45Å; D200-K298 IonicContact OD2-NZ 3.68Å; D200-K298 PolarHBondContact OD2-NZ 3.26Å; Y201-K298 HydrophobicContact CD2-CD 4.37Å; Y201-K298 HydrophobicContact CE2-CD 4.25Å; H257-K298 WeakPolarHBondContact CE1-CE 3.46Å; H257-K298 WeakPolarHBondContact ND1-CE 3.11Å; D294-K298 HydrophobicContact CB-CD 3.65Å; D294-K298 WeakPolarHBondContact OD1-CA 3.49Å; D294-K298 WeakPolarHBondContact OD1-CD 3.06Å; D294-K298 WeakPolarHBondContact OD2-CD 3.5Å; D294-K298 IonicContact OD2-NZ 3.22Å; D294-K298 PolarHBondContact OD2-NZ 2.85Å; K298-S300 PolarHBondContact O-N 3.45Å; K298-S300 VanDerWaalsContact O-N 3.17Å; K298-T301 VanDerWaalsContact O-CB 3.25Å; K298-T301 WeakPolarHBondContact O-CB 3.39Å; K298-T301 PolarHBondContact O-N 3.28Å; K298-T301 PolarHBondContact O-OG1 3.29Å; K298-T301 VanDerWaalsContact O-OG1 3.08Å
299	D	93.9	Very high	92.2	Very high	46 Å²	46	44.6 Å²	44.6	25%	0.246	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-16.3	178.4	-67.8	-20.7	0	0	0	111.5	F284 S286 K293 D294	F284-D299 VanDerWaalsContact O-CA 3.24Å; F284-D299 WeakPolarHBondContact O-CA 3.17Å; S286-D299 VanDerWaalsContact CB-OD1 3.27Å; S286-D299 WeakPolarHBondContact CB-OD1 3.25Å; S286-D299 WeakPolarHBondContact CB-OD2 3.36Å; S286-D299 PolarHBondContact N-OD1 3.05Å; S286-D299 PolarHBondContact OG-OD1 2.84Å; S286-D299 PolarHBondContact OG-OD2 2.82Å; K293-D299 WeakPolarHBondContact CD-OD2 3.33Å; D294-D299 PolarHBondContact N-OD2 2.92Å; D294-D299 VanDerWaalsContact N-OD2 3.16Å; D294-D299 PolarHBondContact OD1-N 2.79Å
300	S	91.8	Very high	91.8	Very high	33 Å²	33	48.2 Å²	48.2	23%	0.231	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-2.9	174.2	65.6	0	0	0	0	114	Y95 K219 K298 Q302	Y95-S300 WeakPolarHBondContact CD1-OG 3.43Å; K219-S300 PolarHBondContact NZ-OG 2.92Å; K298-S300 PolarHBondContact O-N 3.45Å; K298-S300 VanDerWaalsContact O-N 3.17Å; S300-Q302 PolarHBondContact O-N 3.05Å
301	T	93.5	Very high	92.1	Very high	7 Å²	7	45.9 Å²	45.9	4%	0.043	25%	0.253	C	S	.	.			trans	-70.7	127.7	-179.5	-60.1	0	0	0	0	109.8	E93 F284 K298 K303 L304	E93-T301 HydrophobicContact CB-CG2 3.99Å; E93-T301 HydrophobicContact CG-CG2 4.03Å; E93-T301 PolarHBondContact OE1-OG1 2.04Å; E93-T301 PolarHBondContact OE2-OG1 2.89Å; F284-T301 VanDerWaalsContact CB-O 3.31Å; F284-T301 WeakPolarHBondContact CB-O 3.42Å; F284-T301 HydrophobicContact CD1-CG2 3.71Å; F284-T301 HydrophobicContact CD2-CG2 4.23Å; F284-T301 WeakPolarHBondContact CD2-O 3.1Å; F284-T301 HydrophobicContact CE1-CG2 3.69Å; F284-T301 HydrophobicContact CE2-CG2 4.2Å; F284-T301 HydrophobicContact CG-CG2 4.01Å; F284-T301 WeakPolarHBondContact CG-O 3.39Å; F284-T301 HydrophobicContact CZ-CG2 3.96Å; K298-T301 VanDerWaalsContact O-CB 3.25Å; K298-T301 WeakPolarHBondContact O-CB 3.39Å; K298-T301 PolarHBondContact O-N 3.28Å; K298-T301 PolarHBondContact O-OG1 3.29Å; K298-T301 VanDerWaalsContact O-OG1 3.08Å; T301-K303 WeakPolarHBondContact CG2-O 3.43Å; T301-L304 HydrophobicContact CG2-CD2 4.25Å
302	Q	92.1	Very high	92.3	Very high	129 Å²	129	40.9 Å²	40.9	60%	0.603	22%	0.219	S	C	*	.			trans	-97.7	-38.3	177.3	-61.5	-166.5	12.1	0	0	111.5	D94 Y95 G96 S300	D94-Q302 PolarHBondContact O-N 2.75Å; Y95-Q302 PolarHBondContact O-NE2 2.98Å; Y95-Q302 VanDerWaalsContact O-NE2 3.08Å; G96-Q302 VanDerWaalsContact CA-OE1 3.29Å; S300-Q302 PolarHBondContact O-N 3.05Å
303	K	93.1	Very high	92.6	Very high	115 Å²	115	41.1 Å²	41.1	50%	0.5	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	167.8	177.2	65.7	-175.3	178.3	-177.6	0	111	D94 T301 V305	D94-K303 HydrophobicContact CB-CG 3.71Å; D94-K303 PolarHBondContact N-O 3.09Å; D94-K303 PolarHBondContact O-N 3.31Å; D94-K303 WeakPolarHBondContact OD2-CE 3.35Å; D94-K303 IonicContact OD2-NZ 3.74Å; D94-K303 PolarHBondContact OD2-NZ 2.9Å; T301-K303 WeakPolarHBondContact CG2-O 3.43Å; K303-V305 HydrophobicContact CG-CG2 4.4Å
304	L	94.9	Very high	92.5	Very high	23 Å²	23	37.5 Å²	37.5	12%	0.12	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	141.7	171.8	-65.6	179.8	0	0	0	109.4	I91 E93 W272 L275 F284 F297 T301	I91-L304 HydrophobicContact CG2-CB 3.62Å; I91-L304 HydrophobicContact CG2-CD1 4.24Å; I91-L304 HydrophobicContact CG2-CD2 4.04Å; I91-L304 HydrophobicContact CG2-CG 4.16Å; E93-L304 HydrophobicContact CG-CD2 4.27Å; W272-L304 HydrophobicContact CZ3-CB 4.03Å; L275-L304 HydrophobicContact CB-CD1 4.13Å; L275-L304 HydrophobicContact CD1-CD1 4.01Å; L275-L304 HydrophobicContact CD2-CD1 4.46Å; L275-L304 HydrophobicContact CG-CD1 4.44Å; F284-L304 HydrophobicContact CE1-CD1 4.42Å; F284-L304 HydrophobicContact CE1-CD2 4.18Å; F284-L304 HydrophobicContact CE1-CG 4.11Å; F284-L304 HydrophobicContact CZ-CD1 4.39Å; F284-L304 HydrophobicContact CZ-CD2 4.39Å; F284-L304 HydrophobicContact CZ-CG 3.91Å; F297-L304 HydrophobicContact CD1-CD2 4.2Å; F297-L304 HydrophobicContact CE1-CD1 4.23Å; F297-L304 HydrophobicContact CE1-CD2 4Å; F297-L304 HydrophobicContact CZ-CD1 4.4Å; T301-L304 HydrophobicContact CG2-CD2 4.25Å
305	V	93.9	Very high	92.4	Very high	33 Å²	33	36.9 Å²	36.9	20%	0.2	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	127.8	-179.2	-176.7	0	0	0	0	108.8	I91 A92 D94 T101 K303 V307 F685	I91-V305 CarbonylContact C-O 3.28Å; I91-V305 WeakPolarHBondContact CA-O 3.41Å; A92-V305 PolarHBondContact N-O 3.04Å; A92-V305 PolarHBondContact O-N 2.78Å; D94-V305 HydrophobicContact CB-CG2 3.83Å; T101-V305 HydrophobicContact CG2-CB 4.25Å; T101-V305 HydrophobicContact CG2-CG2 4.2Å; K303-V305 HydrophobicContact CG-CG2 4.4Å; V305-V307 PolarHBondContact O-N 3.24Å; V305-F685 HydrophobicContact CB-CZ 4.45Å; V305-F685 HydrophobicContact CG1-CE2 3.8Å; V305-F685 HydrophobicContact CG1-CZ 4.03Å
306	P	94.4	Very high	92.2	Very high	66 Å²	66	37 Å²	37	43%	0.429	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	132	177.6	28.9	-32.2	0	0	0	109.6	W272 F685	W272-P306 HydrophobicContact CD2-CB 4.38Å; W272-P306 HydrophobicContact CE3-CB 4.3Å; W272-P306 HydrophobicContact CH2-CG 4.28Å; W272-P306 HydrophobicContact CZ2-CG 4.25Å; W272-P306 HydrophobicContact CZ3-CB 4.42Å; P306-F685 WeakPolarHBondContact O-CE2 3.02Å
307	V	93.6	Very high	92	Very high	14 Å²	14	36.5 Å²	36.5	9%	0.085	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-77	141.1	175.1	178.3	0	0	0	0	108.3	I90 A92 V305 T311 Y316 F685	I90-V307 PolarHBondContact O-N 3.42Å; A92-V307 HydrophobicContact CB-CG2 4.18Å; V305-V307 PolarHBondContact O-N 3.24Å; V307-T311 VanDerWaalsContact CG1-CB 3.44Å; V307-T311 HydrophobicContact CG1-CG2 3.67Å; V307-T311 WeakPolarHBondContact CG1-OG1 3.48Å; V307-Y316 HydrophobicContact CG1-CD2 4.19Å; V307-Y316 HydrophobicContact CG2-CD2 4.15Å; V307-Y316 HydrophobicContact CG2-CE2 3.84Å; V307-F685 HydrophobicContact CB-CZ 4.47Å; V307-F685 HydrophobicContact CG2-CE1 3.93Å; V307-F685 HydrophobicContact CG2-CZ 3.95Å
308	P	91.4	Very high	91.6	Very high	20 Å²	20	36.7 Å²	36.7	13%	0.13	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-52.6	143.1	177.5	-28.5	35.4	0	0	0	112.2	T311 K681 F685	P308-T311 WeakPolarHBondContact O-CB 3.41Å; P308-T311 PolarHBondContact O-N 3.1Å; P308-T311 PolarHBondContact O-OG1 3.31Å; P308-K681 HydrophobicContact CB-CB 3.84Å; P308-K681 HydrophobicContact CG-CB 3.97Å; P308-F685 HydrophobicContact CG-CB 4.07Å; P308-F685 HydrophobicContact CG-CD2 3.88Å; P308-F685 HydrophobicContact CG-CG 4.16Å
309	P	86.3	Confident	90.9	Very high	82 Å²	82	38.5 Å²	38.5	53%	0.532	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	149.5	175	-25.4	34.3	0	0	0	111.6	T311	P309-T311 PolarHBondContact O-N 2.98Å; P309-T311 VanDerWaalsContact O-N 3.11Å
310	N	82.7	Confident	90.2	Very high	117 Å²	117	41.9 Å²	41.9	63%	0.626	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	9.5	178.3	-52.5	-51.4	0	0	0	115.5	D312 D678	N310-D312 PolarHBondContact O-N 3.49Å; N310-D678 PolarHBondContact ND2-OD2 3.5Å
311	T	91.3	Very high	89.9	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.018	23%	0.227	C	C	.	.			trans	-70.8	111.4	170.2	-53.5	0	0	0	0	109.8	V307 P308 P309 L315 S682	V307-T311 VanDerWaalsContact CG1-CB 3.44Å; V307-T311 HydrophobicContact CG1-CG2 3.67Å; V307-T311 WeakPolarHBondContact CG1-OG1 3.48Å; P308-T311 WeakPolarHBondContact O-CB 3.41Å; P308-T311 PolarHBondContact O-N 3.1Å; P308-T311 PolarHBondContact O-OG1 3.31Å; P309-T311 PolarHBondContact O-N 2.98Å; P309-T311 VanDerWaalsContact O-N 3.11Å; T311-L315 HydrophobicContact CG2-CB 3.92Å; T311-S682 PolarHBondContact OG1-OG 3.22Å
312	D	91.3	Very high	89.4	Confident	30 Å²	30	40.8 Å²	40.8	16%	0.16	23%	0.227	C	C	.	.			trans	-85.3	176.3	171.9	63.8	47	0	0	0	112.2	N310 F314 L315 Y316 R386	N310-D312 PolarHBondContact O-N 3.49Å; D312-F314 VanDerWaalsContact C-N 3.26Å; D312-F314 PolarHBondContact O-N 3.5Å; D312-F314 WeakPolarHBondContact OD1-CA 3.43Å; D312-F314 VanDerWaalsContact OD1-CB 3.32Å; D312-F314 WeakPolarHBondContact OD1-CB 3.36Å; D312-F314 PolarHBondContact OD1-N 2.87Å; D312-L315 PolarHBondContact O-N 2.91Å; D312-L315 PolarHBondContact OD1-N 2.81Å; D312-Y316 WeakPolarHBondContact O-CB 3.18Å; D312-Y316 PolarHBondContact O-N 3.41Å; D312-R386 IonicContact OD1-NH2 3.81Å; D312-R386 PolarHBondContact OD1-NH2 3.15Å; D312-R386 IonicContact OD2-CZ 2.83Å; D312-R386 IonicContact OD2-NH2 3.69Å; D312-R386 PolarHBondContact OD2-NH2 2.99Å
313	S	92.5	Very high	88.8	Confident	15 Å²	15	36.7 Å²	36.7	11%	0.105	21%	0.213	C	C	.	.	H	α-helix	trans	-58.4	-35.9	179.6	58.7	0	0	0	0	113.2	V77 L317	V77-S313 WeakPolarHBondContact O-CB 3.32Å; S313-L317 VanDerWaalsContact O-CB 3.3Å; S313-L317 WeakPolarHBondContact O-CB 3.4Å; S313-L317 WeakPolarHBondContact O-CD1 3.33Å; S313-L317 WeakPolarHBondContact O-CG 3.49Å; S313-L317 PolarHBondContact O-N 3.23Å
314	F	90.1	Very high	88.2	Confident	16 Å²	16	32.9 Å²	32.9	7%	0.07	20%	0.197	C	C	.	.	H	α-helix	trans	-69.3	-48.1	179.5	172.5	-88.2	0	0	0	110.6	D312 Y316 L317 G318 A319 V322 M385 R386	D312-F314 VanDerWaalsContact C-N 3.26Å; D312-F314 PolarHBondContact O-N 3.5Å; D312-F314 WeakPolarHBondContact OD1-CA 3.43Å; D312-F314 VanDerWaalsContact OD1-CB 3.32Å; D312-F314 WeakPolarHBondContact OD1-CB 3.36Å; D312-F314 PolarHBondContact OD1-N 2.87Å; F314-Y316 VanDerWaalsContact C-N 3.29Å; F314-Y316 PolarHBondContact O-N 3.02Å; F314-L317 PolarHBondContact O-N 2.99Å; F314-G318 PolarHBondContact O-N 3.41Å; F314-A319 HydrophobicContact CZ-CB 4.36Å; F314-V322 HydrophobicContact CD2-CB 4.13Å; F314-V322 HydrophobicContact CD2-CG1 3.99Å; F314-V322 HydrophobicContact CD2-CG2 3.73Å; F314-V322 HydrophobicContact CE2-CB 4.04Å; F314-V322 HydrophobicContact CE2-CG1 4.01Å; F314-V322 HydrophobicContact CE2-CG2 4.07Å; F314-M385 HydrophobicContact CE1-CB 3.49Å; F314-M385 VanDerWaalsContact CE1-CB 3.49Å; F314-M385 HydrophobicContact CE1-CE 4.08Å; F314-M385 HydrophobicContact CZ-CB 3.65Å; F314-M385 VanDerWaalsContact CZ-O 3.3Å; F314-M385 WeakPolarHBondContact CZ-O 3.25Å; F314-R386 HydrophobicContact CD1-CG 3.67Å; F314-R386 HydrophobicContact CD2-CG 3.67Å; F314-R386 HydrophobicContact CE1-CG 3.71Å; F314-R386 HydrophobicContact CE2-CB 4.38Å; F314-R386 HydrophobicContact CE2-CG 3.73Å; F314-R386 HydrophobicContact CG-CG 3.68Å; F314-R386 HydrophobicContact CZ-CB 4.46Å; F314-R386 HydrophobicContact CZ-CG 3.77Å
315	L	90.5	Very high	87.7	Confident	3 Å²	3	32.2 Å²	32.2	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-35.6	177.9	-69.3	176.5	0	0	0	111.9	T311 D312 M385 L679 Q689	T311-L315 HydrophobicContact CG2-CB 3.92Å; D312-L315 PolarHBondContact O-N 2.91Å; D312-L315 PolarHBondContact OD1-N 2.81Å; L315-M385 HydrophobicContact CD2-CE 3.79Å; L315-M385 HydrophobicContact CD2-SD 4.3Å; L315-L679 HydrophobicContact CD1-CD1 4.07Å; L315-L679 HydrophobicContact CD2-CD1 3.78Å; L315-Q689 PolarHBondContact O-NE2 3.26Å; L315-Q689 PolarHBondContact O-OE1 3.47Å
316	Y	92.8	Very high	86.9	Confident	1 Å²	1	33.6 Å²	33.6	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-69.2	-39.7	175.3	-174.2	-91.2	0	0	0	112.9	V77 P89 A92 P255 A256 A258 V307 D312 F314 F685 H686 Q689	V77-Y316 HydrophobicContact CG1-CD1 4.02Å; V77-Y316 HydrophobicContact CG2-CE1 4.48Å; P89-Y316 HydrophobicContact CB-CD2 3.82Å; P89-Y316 HydrophobicContact CB-CE2 4.16Å; P89-Y316 HydrophobicContact CB-CG 4.04Å; P89-Y316 VanDerWaalsContact CG-CB 3.5Å; P89-Y316 HydrophobicContact CG-CD1 4.28Å; P89-Y316 HydrophobicContact CG-CD2 3.61Å; P89-Y316 HydrophobicContact CG-CE2 4.44Å; P89-Y316 HydrophobicContact CG-CG 3.53Å; A92-Y316 HydrophobicContact CB-CE2 4.06Å; A92-Y316 WeakPolarHBondContact CB-OH 3.32Å; P255-Y316 HydrophobicContact CB-CD1 4.3Å; P255-Y316 HydrophobicContact CB-CE1 3.83Å; P255-Y316 WeakPolarHBondContact CG-O 3.45Å; A256-Y316 WeakPolarHBondContact O-CE1 3.49Å; A256-Y316 PolarHBondContact O-OH 2.98Å; A258-Y316 HydrophobicContact CB-CE1 3.92Å; A258-Y316 HydrophobicContact CB-CE2 4.13Å; V307-Y316 HydrophobicContact CG1-CD2 4.19Å; V307-Y316 HydrophobicContact CG2-CD2 4.15Å; V307-Y316 HydrophobicContact CG2-CE2 3.84Å; D312-Y316 WeakPolarHBondContact O-CB 3.18Å; D312-Y316 PolarHBondContact O-N 3.41Å; F314-Y316 VanDerWaalsContact C-N 3.29Å; F314-Y316 PolarHBondContact O-N 3.02Å; Y316-F685 HydrophobicContact CE2-CE1 4.15Å; Y316-H686 AromaticContact CD2-NE2 3.35Å; Y316-H686 VanDerWaalsContact CD2-NE2 3.35Å; Y316-H686 WeakPolarHBondContact CD2-NE2 3.1Å; Y316-H686 AromaticContact CE1-NE2 3.86Å; Y316-H686 AromaticContact CE2-CE1 3.63Å; Y316-H686 AromaticContact CE2-NE2 3.1Å; Y316-H686 WeakPolarHBondContact CE2-NE2 3.22Å; Y316-H686 AromaticContact CG-NE2 3.82Å; Y316-H686 AromaticContact CZ-CE1 3.64Å; Y316-H686 AromaticContact CZ-NE2 3.34Å; Y316-H686 VanDerWaalsContact CZ-NE2 3.34Å; Y316-H686 PolarHBondContact O-CD2 3.16Å; Y316-H686 PolarHBondContact O-NE2 2.76Å; Y316-Q689 PolarHBondContact O-NE2 2.84Å
317	L	90.9	Very high	86	Confident	3 Å²	3	32.4 Å²	32.4	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-81.8	-33.4	-176.4	-68.4	172	0	0	0	113.3	G74 V77 Y78 S313 F314 Y321 V322	G74-L317 WeakPolarHBondContact O-CD2 3.29Å; V77-L317 HydrophobicContact CB-CD1 4.4Å; V77-L317 HydrophobicContact CB-CD2 4.27Å; V77-L317 HydrophobicContact CB-CG 4.49Å; V77-L317 HydrophobicContact CG1-CD1 4.2Å; V77-L317 HydrophobicContact CG1-CD2 4.33Å; V77-L317 HydrophobicContact CG1-CG 4.12Å; Y78-L317 HydrophobicContact CD2-CD1 4.35Å; Y78-L317 HydrophobicContact CG-CD1 4.45Å; S313-L317 VanDerWaalsContact O-CB 3.3Å; S313-L317 WeakPolarHBondContact O-CB 3.4Å; S313-L317 WeakPolarHBondContact O-CD1 3.33Å; S313-L317 WeakPolarHBondContact O-CG 3.49Å; S313-L317 PolarHBondContact O-N 3.23Å; F314-L317 PolarHBondContact O-N 2.99Å; L317-Y321 HydrophobicContact CB-CD1 3.8Å; L317-Y321 HydrophobicContact CB-CG 4.27Å; L317-Y321 HydrophobicContact CD1-CD1 3.94Å; L317-Y321 HydrophobicContact CD1-CE1 3.96Å; L317-Y321 HydrophobicContact CD2-CD1 3.9Å; L317-Y321 HydrophobicContact CD2-CE1 3.89Å; L317-Y321 HydrophobicContact CD2-CG 4.42Å; L317-Y321 HydrophobicContact CG-CD1 4.09Å; L317-Y321 HydrophobicContact CG-CE1 4.36Å; L317-Y321 VanDerWaalsContact O-CB 3.3Å; L317-Y321 WeakPolarHBondContact O-CB 3.49Å; L317-V322 HydrophobicContact CB-CG2 4.16Å
318	G	87.3	Confident	85.2	Confident	7 Å²	7	32.4 Å²	32.4	7%	0.072	19%	0.19	C	C	.	.			trans	84.4	160	-178.1	0	0	0	0	0	113.1	F314 D320 Y321 V322 Q689	F314-G318 PolarHBondContact O-N 3.41Å; G318-D320 PolarHBondContact O-N 3.5Å; G318-Y321 PolarHBondContact O-N 2.04Å; G318-V322 WeakPolarHBondContact O-CG2 3.41Å; G318-V322 PolarHBondContact O-N 3.23Å; G318-V322 VanDerWaalsContact O-N 3.16Å; G318-Q689 VanDerWaalsContact N-NE2 3.13Å
319	A	80.1	Confident	84.3	Confident	45 Å²	45	34.9 Å²	34.9	37%	0.372	20%	0.197	S	C	.	.	H	α-helix	trans	-62.6	-40.2	-173.2	0	0	0	0	0	113.1	F314 V322 S323	F314-A319 HydrophobicContact CZ-CB 4.36Å; A319-V322 PolarHBondContact O-N 2.96Å; A319-S323 WeakPolarHBondContact O-CB 3.36Å; A319-S323 PolarHBondContact O-N 2.9Å
320	D	79.9	Confident	83.3	Confident	118 Å²	118	34.7 Å²	34.7	63%	0.631	19%	0.188	S	C	*	.	H	α-helix	trans	-65.2	-46	-178.4	-67.1	-17.4	0	0	0	111.9	G318 V322 S323 I324	G318-D320 PolarHBondContact O-N 3.5Å; D320-V322 VanDerWaalsContact C-N 3.35Å; D320-V322 PolarHBondContact O-N 3.07Å; D320-S323 WeakPolarHBondContact O-CB 3.42Å; D320-S323 PolarHBondContact O-N 3.15Å; D320-I324 WeakPolarHBondContact O-CG1 3.41Å; D320-I324 PolarHBondContact O-N 2.97Å
321	Y	85.6	Confident	81.9	Confident	10 Å²	10	34.3 Å²	34.3	4%	0.039	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-46.5	176.4	-173.9	-87	0	0	0	111.1	G75 S133 N137 I138 V254 L317 G318 S323 I324 I325	G75-Y321 VanDerWaalsContact CA-OH 3.23Å; G75-Y321 WeakPolarHBondContact CA-OH 3.33Å; G75-Y321 PolarHBondContact N-OH 3.09Å; S133-Y321 WeakPolarHBondContact OG-CE2 3.18Å; S133-Y321 PolarHBondContact OG-OH 3.19Å; N137-Y321 PolarHBondContact ND2-OH 3.21Å; N137-Y321 VanDerWaalsContact ND2-OH 3.15Å; I138-Y321 HydrophobicContact CD1-CD2 3.9Å; I138-Y321 HydrophobicContact CD1-CE2 3.93Å; I138-Y321 HydrophobicContact CG1-CE2 4.38Å; V254-Y321 HydrophobicContact CG1-CD2 4.05Å; V254-Y321 HydrophobicContact CG1-CE2 4.24Å; L317-Y321 HydrophobicContact CB-CD1 3.8Å; L317-Y321 HydrophobicContact CB-CG 4.27Å; L317-Y321 HydrophobicContact CD1-CD1 3.94Å; L317-Y321 HydrophobicContact CD1-CE1 3.96Å; L317-Y321 HydrophobicContact CD2-CD1 3.9Å; L317-Y321 HydrophobicContact CD2-CE1 3.89Å; L317-Y321 HydrophobicContact CD2-CG 4.42Å; L317-Y321 HydrophobicContact CG-CD1 4.09Å; L317-Y321 HydrophobicContact CG-CE1 4.36Å; L317-Y321 VanDerWaalsContact O-CB 3.3Å; L317-Y321 WeakPolarHBondContact O-CB 3.49Å; G318-Y321 PolarHBondContact O-N 2.04Å; Y321-S323 VanDerWaalsContact C-N 3.31Å; Y321-S323 PolarHBondContact O-N 2.99Å; Y321-I324 WeakPolarHBondContact O-CB 3.16Å; Y321-I324 PolarHBondContact O-N 2.85Å; Y321-I325 HydrophobicContact CD1-CG1 3.99Å; Y321-I325 HydrophobicContact CE1-CD1 3.85Å; Y321-I325 HydrophobicContact CE1-CG1 3.66Å; Y321-I325 WeakPolarHBondContact O-CG1 3.41Å; Y321-I325 PolarHBondContact O-N 3.3Å; Y321-I325 VanDerWaalsContact O-N 3.08Å
322	V	83.3	Confident	79.4	Confident	7 Å²	7	40.1 Å²	40.1	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-65.6	-36.1	179.6	174.3	0	0	0	0	111.3	Y78 F314 L317 G318 A319 D320 I324 I325 H326	Y78-V322 HydrophobicContact CE2-CG1 4.49Å; F314-V322 HydrophobicContact CD2-CB 4.13Å; F314-V322 HydrophobicContact CD2-CG1 3.99Å; F314-V322 HydrophobicContact CD2-CG2 3.73Å; F314-V322 HydrophobicContact CE2-CB 4.04Å; F314-V322 HydrophobicContact CE2-CG1 4.01Å; F314-V322 HydrophobicContact CE2-CG2 4.07Å; L317-V322 HydrophobicContact CB-CG2 4.16Å; G318-V322 WeakPolarHBondContact O-CG2 3.41Å; G318-V322 PolarHBondContact O-N 3.23Å; G318-V322 VanDerWaalsContact O-N 3.16Å; A319-V322 PolarHBondContact O-N 2.96Å; D320-V322 VanDerWaalsContact C-N 3.35Å; D320-V322 PolarHBondContact O-N 3.07Å; V322-I324 VanDerWaalsContact C-N 3.32Å; V322-I324 PolarHBondContact O-N 2.77Å; V322-I325 WeakPolarHBondContact O-CB 3.33Å; V322-I325 PolarHBondContact O-N 2.79Å; V322-I325 VanDerWaalsContact O-N 3.16Å; V322-H326 PolarHBondContact O-CD2 2.66Å; V322-H326 PolarHBondContact O-N 2.96Å
323	S	78.1	Confident	76.9	Confident	43 Å²	43	44.1 Å²	44.1	30%	0.301	24%	0.24	S	C	.	.	H	α-helix	trans	-60.7	-41	173.6	-169	0	0	0	0	111.7	A319 D320 Y321 H326 S327	A319-S323 WeakPolarHBondContact O-CB 3.36Å; A319-S323 PolarHBondContact O-N 2.9Å; D320-S323 WeakPolarHBondContact O-CB 3.42Å; D320-S323 PolarHBondContact O-N 3.15Å; Y321-S323 VanDerWaalsContact C-N 3.31Å; Y321-S323 PolarHBondContact O-N 2.99Å; S323-H326 PolarHBondContact O-N 3.49Å; S323-S327 PolarHBondContact O-N 3.44Å; S323-S327 PolarHBondContact O-OG 2.87Å; S323-S327 VanDerWaalsContact O-OG 3.1Å
324	I	81.8	Confident	74	Confident	34 Å²	34	47.9 Å²	47.9	17%	0.174	26%	0.262	C	S	.	.	H	α-helix	trans	-61.2	-44.7	173.8	-66.8	169.3	0	0	0	110.6	N137 I138 D320 Y321 V322 H326 S327 L328	N137-I324 WeakPolarHBondContact O-CG2 3.29Å; I138-I324 HydrophobicContact CD1-CD1 3.56Å; I138-I324 HydrophobicContact CD1-CG2 4.34Å; D320-I324 WeakPolarHBondContact O-CG1 3.41Å; D320-I324 PolarHBondContact O-N 2.97Å; Y321-I324 WeakPolarHBondContact O-CB 3.16Å; Y321-I324 PolarHBondContact O-N 2.85Å; V322-I324 VanDerWaalsContact C-N 3.32Å; V322-I324 PolarHBondContact O-N 2.77Å; I324-H326 VanDerWaalsContact C-N 3.34Å; I324-H326 PolarHBondContact O-N 2.9Å; I324-S327 WeakPolarHBondContact O-CB 3.43Å; I324-S327 PolarHBondContact O-N 3.5Å; I324-L328 WeakPolarHBondContact O-CG 3.5Å; I324-L328 PolarHBondContact O-N 3.32Å; I324-L328 VanDerWaalsContact O-N 3.13Å
325	I	83	Confident	71.5	Confident	9 Å²	9	49.3 Å²	49.3	5%	0.046	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-42.3	176.5	-60.5	-63.9	0	0	0	111.6	Y78 N137 Y321 V322 S327 L328 R329	Y78-I325 HydrophobicContact CD1-CG2 3.98Å; Y78-I325 HydrophobicContact CD2-CG2 4.33Å; Y78-I325 HydrophobicContact CE1-CG2 3.64Å; Y78-I325 HydrophobicContact CE2-CG2 4.01Å; Y78-I325 HydrophobicContact CG-CG2 4.31Å; N137-I325 HydrophobicContact CB-CD1 3.64Å; N137-I325 VanDerWaalsContact CG-CD1 3.43Å; N137-I325 VanDerWaalsContact ND2-CD1 3.28Å; N137-I325 WeakPolarHBondContact ND2-CD1 3.38Å; Y321-I325 HydrophobicContact CD1-CG1 3.99Å; Y321-I325 HydrophobicContact CE1-CD1 3.85Å; Y321-I325 HydrophobicContact CE1-CG1 3.66Å; Y321-I325 WeakPolarHBondContact O-CG1 3.41Å; Y321-I325 PolarHBondContact O-N 3.3Å; Y321-I325 VanDerWaalsContact O-N 3.08Å; V322-I325 WeakPolarHBondContact O-CB 3.33Å; V322-I325 PolarHBondContact O-N 2.79Å; V322-I325 VanDerWaalsContact O-N 3.16Å; I325-S327 VanDerWaalsContact C-N 3.33Å; I325-S327 PolarHBondContact O-N 3.46Å; I325-L328 HydrophobicContact CD1-CD1 4.23Å; I325-L328 WeakPolarHBondContact O-CB 3.21Å; I325-L328 PolarHBondContact O-N 2.68Å; I325-L328 VanDerWaalsContact O-N 3.16Å; I325-R329 PolarHBondContact O-N 2.83Å
326	H	77.8	Confident	69.2	Low	63 Å²	63	55.2 Å²	55.2	29%	0.292	32%	0.32	S	S	.	.	H	α-helix	trans	-63.9	-38.4	176.6	-68.3	-179.3	0	0	0	111.7	V322 S323 I324 L328 R329 K330	V322-H326 PolarHBondContact O-CD2 2.66Å; V322-H326 PolarHBondContact O-N 2.96Å; S323-H326 PolarHBondContact O-N 3.49Å; I324-H326 VanDerWaalsContact C-N 3.34Å; I324-H326 PolarHBondContact O-N 2.9Å; H326-L328 VanDerWaalsContact C-N 3.27Å; H326-L328 PolarHBondContact O-N 3.42Å; H326-R329 PolarHBondContact O-N 2.66Å; H326-K330 PolarHBondContact O-N 2.76Å
327	S	74.8	Confident	67.4	Low	40 Å²	40	63.2 Å²	63.2	28%	0.28	36%	0.357	S	S	.	.	H	α-helix	trans	-60.5	-34.1	173.2	-58.9	0	0	0	0	113	S323 I324 I325 R329 K330	S323-S327 PolarHBondContact O-N 3.44Å; S323-S327 PolarHBondContact O-OG 2.87Å; S323-S327 VanDerWaalsContact O-OG 3.1Å; I324-S327 WeakPolarHBondContact O-CB 3.43Å; I324-S327 PolarHBondContact O-N 3.5Å; I325-S327 VanDerWaalsContact C-N 3.33Å; I325-S327 PolarHBondContact O-N 3.46Å; S327-R329 PolarHBondContact O-N 2.72Å; S327-K330 PolarHBondContact O-N 2.74Å
328	L	78.3	Confident	66.1	Low	14 Å²	14	66 Å²	66	7%	0.073	38%	0.377	C	S	.	.	H	α-helix	trans	-70.9	-18.3	175.8	-65.4	168.8	0	0	0	113.7	N137 I140 I144 W151 I159 I324 I325 H326	N137-L328 HydrophobicContact CB-CD1 3.79Å; I140-L328 HydrophobicContact CB-CD2 3.91Å; I140-L328 HydrophobicContact CG2-CD2 3.66Å; I144-L328 HydrophobicContact CD1-CD2 4.42Å; W151-L328 WeakPolarHBondContact CH2-O 3.47Å; W151-L328 WeakPolarHBondContact CZ3-O 3.42Å; I159-L328 HydrophobicContact CD1-CD2 3.62Å; I324-L328 WeakPolarHBondContact O-CG 3.5Å; I324-L328 PolarHBondContact O-N 3.32Å; I324-L328 VanDerWaalsContact O-N 3.13Å; I325-L328 HydrophobicContact CD1-CD1 4.23Å; I325-L328 WeakPolarHBondContact O-CB 3.21Å; I325-L328 PolarHBondContact O-N 2.68Å; I325-L328 VanDerWaalsContact O-N 3.16Å; H326-L328 VanDerWaalsContact C-N 3.27Å; H326-L328 PolarHBondContact O-N 3.42Å
329	R	72.2	Confident	65.8	Low	72 Å²	72	69.6 Å²	69.6	27%	0.272	40%	0.398	S	S	.	.	H	α-helix	trans	-98	-24.8	175.5	-62.4	-174.7	173.8	-173.8	-5.6	112.2	Y78 I154 I325 H326 S327 E331	Y78-R329 PolarHBondContact OH-NH1 2.82Å; I154-R329 VanDerWaalsContact CB-O 3.26Å; I154-R329 WeakPolarHBondContact CB-O 3.38Å; I154-R329 WeakPolarHBondContact CG2-O 3.16Å; I325-R329 PolarHBondContact O-N 2.83Å; H326-R329 PolarHBondContact O-N 2.66Å; S327-R329 PolarHBondContact O-N 2.72Å; R329-E331 HydrophobicContact CB-CB 4.47Å; R329-E331 HydrophobicContact CB-CG 3.91Å; R329-E331 WeakPolarHBondContact CD-OE1 3.45Å; R329-E331 IonicContact CZ-OE1 2.6Å; R329-E331 IonicContact NE-OE1 2.82Å; R329-E331 IonicContact NH1-OE1 3.02Å; R329-E331 PolarHBondContact NH1-OE1 2.7Å; R329-E331 PolarHBondContact O-N 2.75Å; R329-E331 VanDerWaalsContact O-N 3.09Å
330	K	65.2	Low	66.2	Low	79 Å²	79	67.6 Å²	67.6	34%	0.343	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.3	35.3	-166.2	-88.2	-173.3	151.6	-163.7	0	111.1	W151 A152 H326 S327 Q332	W151-K330 HydrophobicContact CE3-CD 3.88Å; W151-K330 HydrophobicContact CE3-CG 4.08Å; W151-K330 HydrophobicContact CH2-CB 4.36Å; W151-K330 HydrophobicContact CZ3-CB 3.92Å; W151-K330 HydrophobicContact CZ3-CD 4.1Å; W151-K330 HydrophobicContact CZ3-CG 3.85Å; W151-K330 VanDerWaalsContact O-CE 3.31Å; W151-K330 WeakPolarHBondContact O-CE 3.27Å; W151-K330 PolarHBondContact O-NZ 2.94Å; A152-K330 VanDerWaalsContact C-NZ 3.28Å; A152-K330 VanDerWaalsContact O-CD 3.3Å; A152-K330 WeakPolarHBondContact O-CD 3.37Å; A152-K330 PolarHBondContact O-NZ 2.69Å; H326-K330 PolarHBondContact O-N 2.76Å; S327-K330 PolarHBondContact O-N 2.74Å; K330-Q332 PolarHBondContact O-N 2.73Å
331	E	52.5	Low	66.9	Low	109 Å²	109	62 Å²	62	51%	0.509	35%	0.351	S	S	.	.			trans	-53.5	117.7	164.4	-80.9	173.1	-159.6	0	0	105.4	R329 S333	R329-E331 HydrophobicContact CB-CB 4.47Å; R329-E331 HydrophobicContact CB-CG 3.91Å; R329-E331 WeakPolarHBondContact CD-OE1 3.45Å; R329-E331 IonicContact CZ-OE1 2.6Å; R329-E331 IonicContact NE-OE1 2.82Å; R329-E331 IonicContact NH1-OE1 3.02Å; R329-E331 PolarHBondContact NH1-OE1 2.7Å; R329-E331 PolarHBondContact O-N 2.75Å; R329-E331 VanDerWaalsContact O-N 3.09Å; E331-S333 PolarHBondContact O-N 3.05Å
332	Q	39.4	Very low	67.5	Low	124 Å²	124	64.5 Å²	64.5	58%	0.579	36%	0.36	S	S	*	.			trans	-42	111.4	-158	-62.8	-174.2	-23.9	0	0	114	E155 K330 T334	E155-Q332 PolarHBondContact OE1-NE2 3.34Å; K330-Q332 PolarHBondContact O-N 2.73Å; Q332-T334 VanDerWaalsContact CB-OG1 3.23Å; Q332-T334 WeakPolarHBondContact CB-OG1 3.39Å; Q332-T334 WeakPolarHBondContact CG-OG1 3.45Å
333	S	38.3	Very low	68.2	Low	114 Å²	114	64.3 Å²	64.3	80%	0.797	36%	0.359	S	S	*	.			trans	-92.3	24.4	135.9	75.8	0	0	0	0	110.1	E331 G335	E331-S333 PolarHBondContact O-N 3.05Å; S333-G335 PolarHBondContact O-N 3.46Å; S333-G335 VanDerWaalsContact O-O 3.1Å
334	T	31.5	Very low	69.1	Low	95 Å²	95	62.3 Å²	62.3	58%	0.583	35%	0.345	S	S	*	.			trans	-89.3	46.1	179.9	58.1	0	0	0	0	111.6	Q332	Q332-T334 VanDerWaalsContact CB-OG1 3.23Å; Q332-T334 WeakPolarHBondContact CB-OG1 3.39Å; Q332-T334 WeakPolarHBondContact CG-OG1 3.45Å
335	G	39.3	Very low	69.8	Low	45 Å²	45	60.7 Å²	60.7	46%	0.464	34%	0.336	S	S	.	.	S	Bend	trans	-113.4	163	146.6	0	0	0	0	0	107.7	S333 E337	S333-G335 PolarHBondContact O-N 3.46Å; S333-G335 VanDerWaalsContact O-O 3.1Å; G335-E337 PolarHBondContact O-N 3.43Å
336	P	41.7	Very low	70.2	Confident	127 Å²	127	62 Å²	62	83%	0.825	35%	0.345	S	S	*	.	S	Bend	trans	-46.3	138.9	154.4	23.8	-31.2	0	0	0	107.4	S338	P336-S338 PolarHBondContact O-N 3.34Å
337	E	55.3	Low	70.7	Confident	170 Å²	170	60.2 Å²	60.2	79%	0.794	34%	0.343	S	S	*	.	S	Bend	trans	-39.7	119.5	174.6	-76.9	-166.1	165.7	0	0	108	G335 T339	G335-E337 PolarHBondContact O-N 3.43Å; E337-T339 PolarHBondContact O-N 3.41Å; E337-T339 VanDerWaalsContact O-N 3.17Å
338	S	63.7	Low	71.4	Confident	61 Å²	61	66 Å²	66	43%	0.427	37%	0.366	S	S	.	.			trans	-45.6	132.1	-174.1	172.8	0	0	0	0	108.5	P336 S340 K604	P336-S338 PolarHBondContact O-N 3.34Å; S338-S340 PolarHBondContact O-N 2.62Å; S338-S340 PolarHBondContact OG-N 2.6Å; S338-S340 PolarHBondContact OG-OG 3.03Å; S338-K604 WeakPolarHBondContact O-CE 3.35Å; S338-K604 PolarHBondContact O-NZ 3.12Å
339	T	79.2	Confident	71.8	Confident	83 Å²	83	67.6 Å²	67.6	51%	0.509	38%	0.381	S	S	.	.	S	Bend	trans	-71.4	-11.6	178	47.6	0	0	0	0	111.9	E337 I608	E337-T339 PolarHBondContact O-N 3.41Å; E337-T339 VanDerWaalsContact O-N 3.17Å; T339-I608 WeakPolarHBondContact O-CD1 3.26Å
340	S	89.9	Confident	72.8	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.014	38%	0.377	C	S	.	.	S	Bend	trans	-94.9	153.6	-177.9	74.4	0	0	0	0	113.1	S338 A367 S368 E370 K604	S338-S340 PolarHBondContact O-N 2.62Å; S338-S340 PolarHBondContact OG-N 2.6Å; S338-S340 PolarHBondContact OG-OG 3.03Å; S340-A367 WeakPolarHBondContact CB-O 3.02Å; S340-S368 CarbonylContact C-O 3.56Å; S340-S368 VanDerWaalsContact CA-O 3.31Å; S340-S368 WeakPolarHBondContact CA-O 3.26Å; S340-E370 WeakPolarHBondContact CB-OE1 3.44Å; S340-E370 VanDerWaalsContact OG-CD 3.28Å; S340-E370 PolarHBondContact OG-OE1 2.86Å; S340-K604 WeakPolarHBondContact O-CE 3.37Å; S340-K604 PolarHBondContact O-NZ 2.87Å
341	I	95.2	Very high	74.1	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	142.2	161.9	62.8	175.9	0	0	0	110.6	W343 S368 V369 E370 K604 V605 I608 L609	I341-W343 HydrophobicContact CD1-CE3 4.15Å; I341-S368 PolarHBondContact N-O 2.83Å; I341-V369 HydrophobicContact CD1-CG2 4.44Å; I341-V369 HydrophobicContact CG1-CG1 4.48Å; I341-V369 HydrophobicContact CG1-CG2 4.08Å; I341-V369 CarbonylContact O-C 3.49Å; I341-V369 WeakPolarHBondContact O-CA 3.48Å; I341-E370 PolarHBondContact O-N 3.42Å; I341-K604 HydrophobicContact CG2-CG 4.36Å; I341-V605 HydrophobicContact CG2-CG2 3.97Å; I341-I608 HydrophobicContact CB-CD1 4.46Å; I341-I608 HydrophobicContact CD1-CB 4.43Å; I341-I608 HydrophobicContact CD1-CG2 3.91Å; I341-I608 HydrophobicContact CG1-CG2 3.95Å; I341-I608 HydrophobicContact CG2-CB 4.25Å; I341-I608 HydrophobicContact CG2-CD1 3.44Å; I341-I608 VanDerWaalsContact CG2-CD1 3.44Å; I341-I608 HydrophobicContact CG2-CG1 4.41Å; I341-I608 HydrophobicContact CG2-CG2 4.41Å; I341-L609 HydrophobicContact CD1-CD2 4.12Å; I341-L609 HydrophobicContact CD1-CG 4.26Å
342	R	96.6	Very high	76.1	Confident	63 Å²	63	60.7 Å²	60.7	24%	0.238	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	104.6	171.6	-65.2	164.4	-62.5	166.9	7.6	109.9	E370 Q372 K387 E388 D390 A391	R342-E370 CarbonylContact C-O 3.57Å; R342-E370 WeakPolarHBondContact CA-O 3.46Å; R342-E370 HydrophobicContact CG-CB 4.02Å; R342-Q372 HydrophobicContact CB-CG 4.09Å; R342-K387 PolarHBondContact NH1-O 2.88Å; R342-K387 PolarHBondContact NH2-O 2.85Å; R342-E388 PolarHBondContact NH1-O 2.99Å; R342-D390 WeakPolarHBondContact CB-OD2 3.28Å; R342-D390 IonicContact CZ-OD1 3.89Å; R342-D390 IonicContact CZ-OD2 2.77Å; R342-D390 PolarHBondContact N-OD2 3.21Å; R342-D390 IonicContact NE-OD1 3.88Å; R342-D390 IonicContact NE-OD2 3.06Å; R342-D390 PolarHBondContact NE-OD2 3.29Å; R342-D390 IonicContact NH2-OD1 3.83Å; R342-D390 PolarHBondContact NH2-OD1 2.78Å; R342-D390 IonicContact NH2-OD2 3.79Å; R342-D390 PolarHBondContact O-N 3.3Å; R342-A391 PolarHBondContact O-N 3.25Å
343	W	98.1	Very high	78.8	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.008	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	131.7	177.4	-164.7	-90.1	0	0	0	111.3	I341 W357 V369 E370 Q372 A391 A393 V595 L609 F638	I341-W343 HydrophobicContact CD1-CE3 4.15Å; W343-W357 HydrophobicContact CB-CZ3 4.41Å; W343-W357 HydrophobicContact CD2-CH2 4.34Å; W343-W357 AromaticContact CD2-CZ3 3.75Å; W343-W357 HydrophobicContact CD2-CZ3 3.75Å; W343-W357 HydrophobicContact CE3-CH2 4.07Å; W343-W357 AromaticContact CE3-CZ3 3.95Å; W343-W357 HydrophobicContact CE3-CZ3 3.95Å; W343-W357 AromaticContact CG-CZ3 3.96Å; W343-W357 HydrophobicContact CG-CZ3 3.96Å; W343-W357 HydrophobicContact CZ3-CH2 4.36Å; W343-V369 HydrophobicContact CB-CG1 4.01Å; W343-E370 PolarHBondContact N-O 2.04Å; W343-Q372 PolarHBondContact O-N 3.32Å; W343-A391 WeakPolarHBondContact CA-O 3.47Å; W343-A391 HydrophobicContact CE3-CB 4.06Å; W343-A391 HydrophobicContact CZ3-CB 3.95Å; W343-A393 HydrophobicContact CH2-CB 4.41Å; W343-A393 HydrophobicContact CZ2-CB 4.03Å; W343-V595 HydrophobicContact CH2-CG1 3.89Å; W343-V595 HydrophobicContact CH2-CG2 3.88Å; W343-V595 HydrophobicContact CZ3-CG1 3.97Å; W343-L609 HydrophobicContact CE3-CD2 4.44Å; W343-L609 HydrophobicContact CH2-CD1 4.5Å; W343-L609 HydrophobicContact CH2-CD2 4.42Å; W343-L609 HydrophobicContact CZ3-CD1 4.03Å; W343-L609 HydrophobicContact CZ3-CD2 3.79Å; W343-L609 HydrophobicContact CZ3-CG 4.44Å; W343-F638 AromaticContact CH2-CE1 3.76Å; W343-F638 HydrophobicContact CH2-CE1 3.76Å; W343-F638 HydrophobicContact CH2-CE2 4.27Å; W343-F638 AromaticContact CH2-CZ 3.33Å; W343-F638 HydrophobicContact CH2-CZ 3.33Å; W343-F638 AromaticContact CZ2-CE1 3.88Å; W343-F638 HydrophobicContact CZ2-CE1 3.88Å; W343-F638 HydrophobicContact CZ2-CE2 4.02Å; W343-F638 AromaticContact CZ2-CZ 3.44Å; W343-F638 HydrophobicContact CZ2-CZ 3.44Å; W343-F638 VanDerWaalsContact CZ2-CZ 3.44Å; W343-F638 HydrophobicContact CZ3-CZ 4.24Å
344	C	98	Very high	81.5	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.007	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	117.2	175.4	-160.6	0	0	0	0	111.4	Q372 C380 A389 A391 M392	C344-Q372 CarbonylContact C-O 3.56Å; C344-Q372 WeakPolarHBondContact CA-O 3.42Å; C344-C380 HydrophobicContact CB-CB 3.67Å; C344-C380 WeakPolarHBondContact CB-SG 3.44Å; C344-C380 WeakPolarHBondContact SG-CA 3.3Å; C344-C380 WeakPolarHBondContact SG-CB 3.03Å; C344-C380 CovalentContact SG-SG 2.03Å; C344-C380 PolarHBondContact SG-SG 3Å; C344-A389 HydrophobicContact CB-CB 3.86Å; C344-A391 PolarHBondContact N-O 2.82Å; C344-M392 HydrophobicContact CB-CB 4.32Å; C344-M392 WeakPolarHBondContact O-CB 3.27Å
345	A	95.8	Very high	84.6	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.7	178.9	0	0	0	0	0	111.2	E350 C354 Q372 N373 A374 L637	A345-E350 HydrophobicContact CB-CB 3.84Å; A345-C354 HydrophobicContact CB-CB 4.11Å; A345-Q372 PolarHBondContact N-O 3.2Å; A345-N373 WeakPolarHBondContact O-CA 3.47Å; A345-A374 PolarHBondContact O-N 3.48Å; A345-L637 HydrophobicContact CB-CD2 3.93Å
346	V	92.1	Very high	87.2	Confident	36 Å²	36	51.8 Å²	51.8	22%	0.218	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	113.3	-177.4	-177.8	0	0	0	0	110.7	E350 A374 V377 M392	V346-E350 PolarHBondContact N-OE2 2.79Å; V346-E350 WeakPolarHBondContact O-CB 3.35Å; V346-E350 WeakPolarHBondContact O-CG 3.28Å; V346-A374 WeakPolarHBondContact CA-O 3.08Å; V346-V377 HydrophobicContact CG2-CG2 3.94Å; V346-M392 HydrophobicContact CG2-CE 3.86Å
347	G	86.8	Confident	89.8	Confident	26 Å²	26	45.8 Å²	45.8	27%	0.268	25%	0.254	S	S	.	.	H	α-helix	trans	72.7	175.9	-179.8	0	0	0	0	0	114.5	A349 T351 N373 A374	G347-A349 PolarHBondContact O-N 3.14Å; G347-T351 WeakPolarHBondContact O-CB 3.39Å; G347-T351 PolarHBondContact O-N 2.84Å; G347-T351 VanDerWaalsContact O-N 3.14Å; G347-T351 PolarHBondContact O-OG1 3.47Å; G347-N373 PolarHBondContact O-ND2 3.38Å; G347-A374 PolarHBondContact N-O 3.13Å
348	H	89.5	Confident	91.6	Very high	163 Å²	163	38.9 Å²	38.9	76%	0.755	23%	0.225	S	C	*	.	H	α-helix	trans	-64.2	-42.2	-168.2	-177.6	-75.4	0	0	0	113.6	T351 A352	H348-T351 PolarHBondContact O-N 2.91Å; H348-A352 PolarHBondContact O-N 2.91Å
349	A	87.9	Confident	93.1	Very high	47 Å²	47	41.4 Å²	41.4	39%	0.388	23%	0.232	S	C	.	.	H	α-helix	trans	-66.7	-42.4	-175.2	0	0	0	0	0	112.5	G347 T351 K353 L636	G347-A349 PolarHBondContact O-N 3.14Å; A349-T351 VanDerWaalsContact C-N 3.34Å; A349-K353 PolarHBondContact O-N 2.03Å; A349-L636 HydrophobicContact CB-CD1 4.31Å; A349-L636 HydrophobicContact CB-CD2 3.76Å
350	E	92	Very high	93.8	Very high	41 Å²	41	39.3 Å²	39.3	19%	0.192	22%	0.218	C	C	.	.	H	α-helix	trans	-67	-38.8	174.2	-67.6	-156.5	151.6	0	0	111.6	A345 V346 A352 K353 C354 L636 L637	A345-E350 HydrophobicContact CB-CB 3.84Å; V346-E350 PolarHBondContact N-OE2 2.79Å; V346-E350 WeakPolarHBondContact O-CB 3.35Å; V346-E350 WeakPolarHBondContact O-CG 3.28Å; E350-A352 PolarHBondContact O-N 3.06Å; E350-K353 PolarHBondContact O-N 2.84Å; E350-C354 WeakPolarHBondContact O-CB 3.2Å; E350-C354 PolarHBondContact O-N 2.91Å; E350-L636 HydrophobicContact CG-CB 4.2Å; E350-L636 HydrophobicContact CG-CD2 3.89Å; E350-L637 HydrophobicContact CB-CD2 3.86Å; E350-L637 HydrophobicContact CG-CD2 4.47Å; E350-L637 PolarHBondContact OE1-N 3.4Å
351	T	93.8	Very high	93.9	Very high	24 Å²	24	39.3 Å²	39.3	15%	0.147	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-47.2	178.6	-53.9	0	0	0	0	110.5	G347 H348 A349 K353 C354 D355 N373	G347-T351 WeakPolarHBondContact O-CB 3.39Å; G347-T351 PolarHBondContact O-N 2.84Å; G347-T351 VanDerWaalsContact O-N 3.14Å; G347-T351 PolarHBondContact O-OG1 3.47Å; H348-T351 PolarHBondContact O-N 2.91Å; A349-T351 VanDerWaalsContact C-N 3.34Å; T351-K353 VanDerWaalsContact C-N 3.3Å; T351-K353 PolarHBondContact O-N 3.48Å; T351-C354 CarbonylContact O-C 3.6Å; T351-C354 WeakPolarHBondContact O-CA 3.42Å; T351-C354 WeakPolarHBondContact O-CB 3.39Å; T351-C354 PolarHBondContact O-N 2.92Å; T351-D355 PolarHBondContact O-N 2.67Å; T351-N373 HydrophobicContact CG2-CB 4.2Å; T351-N373 PolarHBondContact OG1-ND2 3.32Å
352	A	94.4	Very high	93.6	Very high	50 Å²	50	42.6 Å²	42.6	41%	0.413	24%	0.238	S	C	.	.	H	α-helix	trans	-60.2	-37.4	177	0	0	0	0	0	113.1	H348 E350 M356	H348-A352 PolarHBondContact O-N 2.91Å; E350-A352 PolarHBondContact O-N 3.06Å; A352-M356 PolarHBondContact O-N 2.87Å
353	K	95.2	Very high	92.8	Very high	20 Å²	20	42.7 Å²	42.7	9%	0.087	25%	0.246	C	C	.	.	H	α-helix	trans	-69.3	-39.8	173.9	-175.7	178.2	173.1	-177.6	0	111.4	A349 E350 T351 M356 W357 F625 M627 Q629 S630 L636 L637	A349-K353 PolarHBondContact O-N 2.03Å; E350-K353 PolarHBondContact O-N 2.84Å; T351-K353 VanDerWaalsContact C-N 3.3Å; T351-K353 PolarHBondContact O-N 3.48Å; K353-M356 WeakPolarHBondContact O-CB 3.45Å; K353-M356 PolarHBondContact O-N 3.39Å; K353-W357 PolarHBondContact O-N 3.16Å; K353-F625 HydrophobicContact CG-CE2 4.19Å; K353-F625 HydrophobicContact CG-CZ 4.35Å; K353-M627 WeakPolarHBondContact CE-O 3.4Å; K353-M627 PolarHBondContact NZ-O 2.82Å; K353-Q629 WeakPolarHBondContact CE-O 3.1Å; K353-Q629 PolarHBondContact NZ-O 3.06Å; K353-S630 PolarHBondContact NZ-OG 3.17Å; K353-L636 HydrophobicContact CB-CB 4.41Å; K353-L636 HydrophobicContact CB-CD1 4.43Å; K353-L636 HydrophobicContact CD-CB 3.6Å; K353-L636 HydrophobicContact CD-CD1 4.41Å; K353-L636 WeakPolarHBondContact CD-O 3.06Å; K353-L636 PolarHBondContact NZ-O 3.1Å; K353-L637 HydrophobicContact CB-CD1 4.22Å; K353-L637 HydrophobicContact CD-CD1 4.06Å; K353-L637 HydrophobicContact CD-CG 4.24Å; K353-L637 HydrophobicContact CG-CD1 3.88Å; K353-L637 HydrophobicContact CG-CG 4.43Å
354	C	95.9	Very high	91.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.7	-46.5	176.6	-170.7	0	0	0	0	110.4	A345 E350 T351 M356 W357 S358 C371 L637	A345-C354 HydrophobicContact CB-CB 4.11Å; E350-C354 WeakPolarHBondContact O-CB 3.2Å; E350-C354 PolarHBondContact O-N 2.91Å; T351-C354 CarbonylContact O-C 3.6Å; T351-C354 WeakPolarHBondContact O-CA 3.42Å; T351-C354 WeakPolarHBondContact O-CB 3.39Å; T351-C354 PolarHBondContact O-N 2.92Å; C354-M356 PolarHBondContact O-N 3.48Å; C354-W357 CarbonylContact O-C 3.33Å; C354-W357 WeakPolarHBondContact O-CA 3.48Å; C354-W357 VanDerWaalsContact O-CB 3.25Å; C354-W357 WeakPolarHBondContact O-CB 3.26Å; C354-W357 PolarHBondContact O-N 2.79Å; C354-S358 PolarHBondContact O-N 3.2Å; C354-C371 VanDerWaalsContact CA-SG 3.5Å; C354-C371 HydrophobicContact CB-CB 3.84Å; C354-C371 WeakPolarHBondContact CB-SG 2.8Å; C354-C371 PolarHBondContact O-SG 2.84Å; C354-C371 WeakPolarHBondContact SG-CB 3.12Å; C354-C371 CovalentContact SG-SG 2.03Å; C354-C371 PolarHBondContact SG-SG 3.12Å; C354-L637 HydrophobicContact CB-CD1 4.14Å; C354-L637 HydrophobicContact CB-CD2 4.13Å
355	D	95.3	Very high	90.8	Very high	74 Å²	74	59.1 Å²	59.1	40%	0.396	33%	0.328	S	S	.	.	H	α-helix	trans	-59.1	-39.5	179.2	-63.4	-25.8	0	0	0	110.8	T351 S358 I359 C371	T351-D355 PolarHBondContact O-N 2.67Å; D355-S358 WeakPolarHBondContact O-CB 3.42Å; D355-S358 PolarHBondContact O-N 2.9Å; D355-I359 WeakPolarHBondContact O-CD1 3.37Å; D355-I359 VanDerWaalsContact O-CG1 3.27Å; D355-I359 WeakPolarHBondContact O-CG1 3.49Å; D355-I359 PolarHBondContact O-N 3.42Å; D355-C371 WeakPolarHBondContact OD1-CB 3.28Å
356	M	94.8	Very high	90.1	Very high	96 Å²	96	62.8 Å²	62.8	47%	0.473	35%	0.35	S	S	.	.	H	α-helix	trans	-63.1	-43.6	172.2	-169	60	60.1	0	0	112	A352 K353 C354 S358 I359 N360 F625	A352-M356 PolarHBondContact O-N 2.87Å; K353-M356 WeakPolarHBondContact O-CB 3.45Å; K353-M356 PolarHBondContact O-N 3.39Å; C354-M356 PolarHBondContact O-N 3.48Å; M356-S358 VanDerWaalsContact C-N 3.33Å; M356-S358 PolarHBondContact O-N 2.74Å; M356-I359 PolarHBondContact O-N 3.11Å; M356-N360 PolarHBondContact O-N 2.92Å; M356-N360 VanDerWaalsContact O-N 3.09Å; M356-N360 PolarHBondContact O-ND2 3.25Å; M356-N360 PolarHBondContact SD-ND2 3.47Å; M356-F625 HydrophobicContact CB-CD2 4.37Å; M356-F625 HydrophobicContact CB-CE2 4.32Å; M356-F625 HydrophobicContact CG-CD2 3.89Å; M356-F625 HydrophobicContact CG-CE2 4.3Å
357	W	95.6	Very high	89.9	Confident	1 Å²	1	62 Å²	62	0%	0.004	35%	0.348	C	S	.	.	H	α-helix	trans	-59.5	-44.9	174.4	-172.8	13.7	0	0	0	111.5	W343 K353 C354 I359 N360 S361 V369 L609 Q612 F625 M627 L637 F638	W343-W357 HydrophobicContact CB-CZ3 4.41Å; W343-W357 HydrophobicContact CD2-CH2 4.34Å; W343-W357 AromaticContact CD2-CZ3 3.75Å; W343-W357 HydrophobicContact CD2-CZ3 3.75Å; W343-W357 HydrophobicContact CE3-CH2 4.07Å; W343-W357 AromaticContact CE3-CZ3 3.95Å; W343-W357 HydrophobicContact CE3-CZ3 3.95Å; W343-W357 AromaticContact CG-CZ3 3.96Å; W343-W357 HydrophobicContact CG-CZ3 3.96Å; W343-W357 HydrophobicContact CZ3-CH2 4.36Å; K353-W357 PolarHBondContact O-N 3.16Å; C354-W357 CarbonylContact O-C 3.33Å; C354-W357 WeakPolarHBondContact O-CA 3.48Å; C354-W357 VanDerWaalsContact O-CB 3.25Å; C354-W357 WeakPolarHBondContact O-CB 3.26Å; C354-W357 PolarHBondContact O-N 2.79Å; W357-I359 PolarHBondContact O-N 2.83Å; W357-N360 PolarHBondContact O-N 2.98Å; W357-S361 VanDerWaalsContact O-CB 3.26Å; W357-S361 WeakPolarHBondContact O-CB 3.28Å; W357-S361 PolarHBondContact O-N 3.32Å; W357-V369 HydrophobicContact CD2-CB 4.35Å; W357-V369 HydrophobicContact CD2-CG1 4.04Å; W357-V369 HydrophobicContact CD2-CG2 4.24Å; W357-V369 HydrophobicContact CE3-CG1 3.83Å; W357-V369 HydrophobicContact CH2-CG1 4.28Å; W357-V369 HydrophobicContact CH2-CG2 4.1Å; W357-V369 HydrophobicContact CZ2-CG1 4.47Å; W357-V369 HydrophobicContact CZ2-CG2 3.65Å; W357-V369 HydrophobicContact CZ3-CG1 3.96Å; W357-L609 HydrophobicContact CH2-CD2 3.6Å; W357-L609 HydrophobicContact CZ2-CD2 4.01Å; W357-Q612 HydrophobicContact CZ2-CB 3.91Å; W357-Q612 HydrophobicContact CZ2-CG 4.04Å; W357-F625 HydrophobicContact CB-CD1 4.28Å; W357-F625 HydrophobicContact CB-CE1 3.56Å; W357-F625 HydrophobicContact CB-CE2 3.99Å; W357-F625 HydrophobicContact CB-CZ 3.4Å; W357-F625 VanDerWaalsContact CB-CZ 3.4Å; W357-F625 AromaticContact CD1-CD1 3.72Å; W357-F625 AromaticContact CD1-CE1 3.37Å; W357-F625 HydrophobicContact CD2-CE1 4.2Å; W357-F625 HydrophobicContact CG-CD1 4.13Å; W357-F625 AromaticContact CG-CE1 3.4Å; W357-F625 HydrophobicContact CG-CE1 3.4Å; W357-F625 VanDerWaalsContact CG-CE1 3.4Å; W357-F625 AromaticContact CG-CZ 3.76Å; W357-F625 HydrophobicContact CG-CZ 3.76Å; W357-M627 HydrophobicContact CH2-CE 4.07Å; W357-M627 HydrophobicContact CZ2-CE 3.67Å; W357-M627 HydrophobicContact CZ2-SD 4.27Å; W357-L637 HydrophobicContact CE3-CD1 4.18Å; W357-F638 HydrophobicContact CH2-CE2 4.35Å; W357-F638 HydrophobicContact CZ3-CE2 4.31Å
358	S	94.9	Very high	90.2	Very high	25 Å²	25	61.6 Å²	61.6	18%	0.175	34%	0.341	C	S	.	.	H	α-helix	trans	-56.9	-49.7	178.5	-175.5	0	0	0	0	111.4	C354 D355 M356 N360 S361 V369	C354-S358 PolarHBondContact O-N 3.2Å; D355-S358 WeakPolarHBondContact O-CB 3.42Å; D355-S358 PolarHBondContact O-N 2.9Å; M356-S358 VanDerWaalsContact C-N 3.33Å; M356-S358 PolarHBondContact O-N 2.74Å; S358-N360 PolarHBondContact O-N 3.22Å; S358-S361 PolarHBondContact O-N 2.62Å; S358-S361 VanDerWaalsContact O-N 3.15Å; S358-S361 PolarHBondContact O-OG 3.04Å; S358-V369 VanDerWaalsContact CA-O 3.3Å; S358-V369 WeakPolarHBondContact CA-O 3.09Å; S358-V369 WeakPolarHBondContact CB-O 3.29Å; S358-V369 PolarHBondContact OG-O 3.28Å
359	I	93.8	Very high	90.4	Very high	114 Å²	114	53.9 Å²	53.9	59%	0.585	31%	0.305	S	S	*	.	H	α-helix	trans	-58.6	-45	177.2	-67.4	163.1	0	0	0	111.8	D355 M356 W357 S361 V362	D355-I359 WeakPolarHBondContact O-CD1 3.37Å; D355-I359 VanDerWaalsContact O-CG1 3.27Å; D355-I359 WeakPolarHBondContact O-CG1 3.49Å; D355-I359 PolarHBondContact O-N 3.42Å; M356-I359 PolarHBondContact O-N 3.11Å; W357-I359 PolarHBondContact O-N 2.83Å; I359-S361 VanDerWaalsContact C-N 3.3Å; I359-S361 PolarHBondContact O-N 2.98Å; I359-V362 WeakPolarHBondContact O-CG2 3.42Å
360	N	93.8	Very high	90.8	Very high	40 Å²	40	55.1 Å²	55.1	21%	0.214	30%	0.303	C	S	.	.	H	α-helix	trans	-76.4	-19.5	-179.3	-70.1	-80.8	0	0	0	112.6	M356 W357 S358 V362 F616 T624 F625	M356-N360 PolarHBondContact O-N 2.92Å; M356-N360 VanDerWaalsContact O-N 3.09Å; M356-N360 PolarHBondContact O-ND2 3.25Å; M356-N360 PolarHBondContact SD-ND2 3.47Å; W357-N360 PolarHBondContact O-N 2.98Å; S358-N360 PolarHBondContact O-N 3.22Å; N360-V362 PolarHBondContact O-N 3.27Å; N360-F616 HydrophobicContact CB-CE1 4.24Å; N360-F616 HydrophobicContact CB-CZ 4.06Å; N360-F616 VanDerWaalsContact O-CZ 3.22Å; N360-F616 WeakPolarHBondContact O-CZ 3.31Å; N360-T624 WeakPolarHBondContact OD1-CB 3.42Å; N360-T624 PolarHBondContact OD1-OG1 2.61Å; N360-F625 HydrophobicContact CB-CB 3.79Å; N360-F625 HydrophobicContact CB-CG 4.41Å
361	S	92.3	Very high	90.9	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.007	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-1	177.8	80.1	0	0	0	0	114.2	W357 S358 I359 T363 S368 V369 Q612	W357-S361 VanDerWaalsContact O-CB 3.26Å; W357-S361 WeakPolarHBondContact O-CB 3.28Å; W357-S361 PolarHBondContact O-N 3.32Å; S358-S361 PolarHBondContact O-N 2.62Å; S358-S361 VanDerWaalsContact O-N 3.15Å; S358-S361 PolarHBondContact O-OG 3.04Å; I359-S361 VanDerWaalsContact C-N 3.3Å; I359-S361 PolarHBondContact O-N 2.98Å; S361-T363 PolarHBondContact O-N 2.81Å; S361-S368 PolarHBondContact O-N 2.78Å; S361-S368 VanDerWaalsContact O-N 3.12Å; S361-S368 PolarHBondContact O-OG 3.18Å; S361-S368 PolarHBondContact OG-N 3.35Å; S361-V369 PolarHBondContact OG-N 3.02Å; S361-V369 VanDerWaalsContact OG-N 3.11Å; S361-V369 PolarHBondContact OG-O 2.94Å; S361-Q612 VanDerWaalsContact CB-OE1 3.24Å
362	V	89.1	Confident	91	Very high	71 Å²	71	56 Å²	56	43%	0.43	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	118.8	179.1	178.9	0	0	0	0	109.7	I359 N360 T366 A367	I359-V362 WeakPolarHBondContact O-CG2 3.42Å; N360-V362 PolarHBondContact O-N 3.27Å; V362-T366 WeakPolarHBondContact CA-O 3.23Å; V362-A367 HydrophobicContact CG2-CB 4Å
363	T	79.7	Confident	91	Very high	65 Å²	65	57 Å²	57	40%	0.399	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.2	168.4	52.8	0	0	0	0	108.5	S361 D365 T366	S361-T363 PolarHBondContact O-N 2.81Å; T363-D365 PolarHBondContact O-N 2.91Å; T363-T366 PolarHBondContact N-O 2.81Å; T363-T366 PolarHBondContact O-N 2.71Å
364	E	77.3	Confident	90.9	Very high	188 Å²	188	56.1 Å²	56.1	88%	0.879	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	-101.3	-169.5	-54.1	176.9	176	0	0	110.1
365	D	76.6	Confident	90.5	Very high	160 Å²	160	60.8 Å²	60.8	86%	0.856	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.4	9.6	-178.3	-66.5	-47.7	0	0	0	113.6	T363	T363-D365 PolarHBondContact O-N 2.91Å
366	T	81.8	Confident	90.3	Very high	76 Å²	76	60.2 Å²	60.2	47%	0.466	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.1	-179.8	61.1	0	0	0	0	111.9	V362 T363	V362-T366 WeakPolarHBondContact CA-O 3.23Å; T363-T366 PolarHBondContact N-O 2.81Å; T363-T366 PolarHBondContact O-N 2.71Å
367	A	87.4	Confident	90.1	Very high	20 Å²	20	57 Å²	57	17%	0.165	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	134.8	173	0	0	0	0	0	109.8	S340 V362	S340-A367 WeakPolarHBondContact CB-O 3.02Å; V362-A367 HydrophobicContact CG2-CB 4Å
368	S	92.5	Very high	89.9	Confident	18 Å²	18	59.7 Å²	59.7	13%	0.126	33%	0.33	C	S	.	.	S	Bend	trans	-74.2	-22.1	170.9	-59.6	0	0	0	0	111.8	S340 I341 S361	S340-S368 CarbonylContact C-O 3.56Å; S340-S368 VanDerWaalsContact CA-O 3.31Å; S340-S368 WeakPolarHBondContact CA-O 3.26Å; I341-S368 PolarHBondContact N-O 2.83Å; S361-S368 PolarHBondContact O-N 2.78Å; S361-S368 VanDerWaalsContact O-N 3.12Å; S361-S368 PolarHBondContact O-OG 3.18Å; S361-S368 PolarHBondContact OG-N 3.35Å
369	V	95	Very high	89.8	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	132	-179.3	-176.2	0	0	0	0	110.6	I341 W343 W357 S358 S361 I608 Q612	I341-V369 HydrophobicContact CD1-CG2 4.44Å; I341-V369 HydrophobicContact CG1-CG1 4.48Å; I341-V369 HydrophobicContact CG1-CG2 4.08Å; I341-V369 CarbonylContact O-C 3.49Å; I341-V369 WeakPolarHBondContact O-CA 3.48Å; W343-V369 HydrophobicContact CB-CG1 4.01Å; W357-V369 HydrophobicContact CD2-CB 4.35Å; W357-V369 HydrophobicContact CD2-CG1 4.04Å; W357-V369 HydrophobicContact CD2-CG2 4.24Å; W357-V369 HydrophobicContact CE3-CG1 3.83Å; W357-V369 HydrophobicContact CH2-CG1 4.28Å; W357-V369 HydrophobicContact CH2-CG2 4.1Å; W357-V369 HydrophobicContact CZ2-CG1 4.47Å; W357-V369 HydrophobicContact CZ2-CG2 3.65Å; W357-V369 HydrophobicContact CZ3-CG1 3.96Å; S358-V369 VanDerWaalsContact CA-O 3.3Å; S358-V369 WeakPolarHBondContact CA-O 3.09Å; S358-V369 WeakPolarHBondContact CB-O 3.29Å; S358-V369 PolarHBondContact OG-O 3.28Å; S361-V369 PolarHBondContact OG-N 3.02Å; S361-V369 VanDerWaalsContact OG-N 3.11Å; S361-V369 PolarHBondContact OG-O 2.94Å; V369-I608 HydrophobicContact CG2-CG2 4.32Å; V369-Q612 HydrophobicContact CG2-CG 4.1Å
370	E	95.1	Very high	89.9	Confident	73 Å²	73	55.1 Å²	55.1	34%	0.341	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	157.3	171.1	-71	170.4	-149.7	0	0	109.7	S340 I341 R342 W343	S340-E370 WeakPolarHBondContact CB-OE1 3.44Å; S340-E370 VanDerWaalsContact OG-CD 3.28Å; S340-E370 PolarHBondContact OG-OE1 2.86Å; I341-E370 PolarHBondContact O-N 3.42Å; R342-E370 CarbonylContact C-O 3.57Å; R342-E370 WeakPolarHBondContact CA-O 3.46Å; R342-E370 HydrophobicContact CG-CB 4.02Å; W343-E370 PolarHBondContact N-O 2.04Å
371	C	94.8	Very high	89.9	Confident	26 Å²	26	53.3 Å²	53.3	18%	0.176	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.9	-172.9	-63	0	0	0	0	112.5	C354 D355	C354-C371 VanDerWaalsContact CA-SG 3.5Å; C354-C371 HydrophobicContact CB-CB 3.84Å; C354-C371 WeakPolarHBondContact CB-SG 2.8Å; C354-C371 PolarHBondContact O-SG 2.84Å; C354-C371 WeakPolarHBondContact SG-CB 3.12Å; C354-C371 CovalentContact SG-SG 2.03Å; C354-C371 PolarHBondContact SG-SG 3.12Å; D355-C371 WeakPolarHBondContact OD1-CB 3.28Å
372	Q	96.3	Very high	89.9	Confident	57 Å²	57	55.3 Å²	55.3	27%	0.266	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143	171.3	-62.4	-62.4	-40.8	0	0	107.9	R342 W343 C344 A345 E388 A389	R342-Q372 HydrophobicContact CB-CG 4.09Å; W343-Q372 PolarHBondContact O-N 3.32Å; C344-Q372 CarbonylContact C-O 3.56Å; C344-Q372 WeakPolarHBondContact CA-O 3.42Å; A345-Q372 PolarHBondContact N-O 3.2Å; Q372-E388 WeakPolarHBondContact CG-O 3.37Å; Q372-A389 HydrophobicContact CB-CB 4.2Å; Q372-A389 HydrophobicContact CG-CB 4.15Å
373	N	94.4	Very high	90	Very high	73 Å²	73	54.2 Å²	54.2	39%	0.39	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	143.8	176.1	171.7	-86.4	0	0	0	110.7	A345 G347 T351 K383	A345-N373 WeakPolarHBondContact O-CA 3.47Å; G347-N373 PolarHBondContact O-ND2 3.38Å; T351-N373 HydrophobicContact CG2-CB 4.2Å; T351-N373 PolarHBondContact OG1-ND2 3.32Å; N373-K383 VanDerWaalsContact O-CE 3.27Å; N373-K383 WeakPolarHBondContact O-CE 2.96Å
374	A	92.1	Very high	90.7	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	158	161.1	0	0	0	0	0	111	A345 V346 G347 D379 C380 K383	A345-A374 PolarHBondContact O-N 3.48Å; V346-A374 WeakPolarHBondContact CA-O 3.08Å; G347-A374 PolarHBondContact N-O 3.13Å; A374-D379 HydrophobicContact CB-CB 3.82Å; A374-C380 HydrophobicContact CB-CB 4.32Å; A374-C380 VanDerWaalsContact CB-SG 3.52Å; A374-K383 HydrophobicContact CB-CD 4.35Å
375	P	89.1	Confident	91.2	Very high	98 Å²	98	43 Å²	43	64%	0.636	24%	0.237	S	C	*	.	S	Bend	trans	-76.2	-24.7	178	28.9	-32.5	0	0	0	112.9	D379	P375-D379 HydrophobicContact CG-CB 4.48Å; P375-D379 WeakPolarHBondContact CG-OD2 2.89Å
376	T	90.1	Very high	91.7	Very high	62 Å²	62	39.3 Å²	39.3	38%	0.38	21%	0.211	S	C	.	.	S	Bend	trans	-137.1	163	-179.1	76.2	0	0	0	0	111.9	E378 D379 C380	T376-E378 VanDerWaalsContact C-N 3.32Å; T376-E378 PolarHBondContact O-N 2.98Å; T376-E378 PolarHBondContact OG1-N 2.81Å; T376-D379 PolarHBondContact O-N 2.85Å; T376-D379 PolarHBondContact OG1-N 2.92Å; T376-D379 VanDerWaalsContact OG1-N 3.1Å; T376-D379 PolarHBondContact OG1-OD2 3.4Å; T376-C380 PolarHBondContact O-N 3.48Å; T376-C380 VanDerWaalsContact O-N 3.1Å
377	V	91.5	Very high	92	Very high	27 Å²	27	39.5 Å²	39.5	16%	0.164	21%	0.205	C	C	.	.	H	α-helix	trans	-62.3	-39.9	174	172.1	0	0	0	0	111.6	V346 D379 C380 F381 M392 V394 Q398	V346-V377 HydrophobicContact CG2-CG2 3.94Å; V377-D379 VanDerWaalsContact C-N 3.3Å; V377-D379 PolarHBondContact O-N 2.63Å; V377-C380 WeakPolarHBondContact O-CA 3.16Å; V377-C380 WeakPolarHBondContact O-CB 3.43Å; V377-C380 PolarHBondContact O-N 3.36Å; V377-C380 VanDerWaalsContact O-N 3.15Å; V377-F381 HydrophobicContact CG1-CD1 4.35Å; V377-F381 HydrophobicContact CG1-CD2 4.47Å; V377-F381 HydrophobicContact CG1-CE1 3.76Å; V377-F381 HydrophobicContact CG1-CE2 3.9Å; V377-F381 HydrophobicContact CG1-CZ 3.51Å; V377-F381 PolarHBondContact O-N 2.84Å; V377-M392 HydrophobicContact CB-CE 4.19Å; V377-M392 HydrophobicContact CG1-CE 3.83Å; V377-M392 HydrophobicContact CG1-SD 4.08Å; V377-M392 HydrophobicContact CG2-CE 3.99Å; V377-V394 HydrophobicContact CG1-CG1 3.66Å; V377-Q398 HydrophobicContact CG1-CB 4.49Å; V377-Q398 HydrophobicContact CG1-CG 4.32Å
378	E	91.4	Very high	92.2	Very high	58 Å²	58	42 Å²	42	27%	0.271	21%	0.213	S	C	.	.	H	α-helix	trans	-65.1	-35.2	178	-67.7	-163.9	162.3	0	0	112	T376 C380 F381 K382 S677 L679	T376-E378 VanDerWaalsContact C-N 3.32Å; T376-E378 PolarHBondContact O-N 2.98Å; T376-E378 PolarHBondContact OG1-N 2.81Å; E378-C380 VanDerWaalsContact C-N 3.34Å; E378-F381 WeakPolarHBondContact O-CB 3.42Å; E378-F381 PolarHBondContact O-N 3.33Å; E378-K382 WeakPolarHBondContact O-CG 3.45Å; E378-K382 PolarHBondContact O-N 3.3Å; E378-S677 WeakPolarHBondContact OE1-CB 3.4Å; E378-S677 PolarHBondContact OE1-OG 2.91Å; E378-L679 HydrophobicContact CB-CB 4.46Å; E378-L679 HydrophobicContact CB-CD2 3.69Å; E378-L679 HydrophobicContact CG-CB 4.35Å; E378-L679 HydrophobicContact CG-CD2 3.9Å
379	D	92.1	Very high	92.3	Very high	43 Å²	43	41.1 Å²	41.1	23%	0.23	21%	0.207	C	C	.	.	H	α-helix	trans	-70.3	-32.9	174.1	-62.9	-46.1	0	0	0	111.9	A374 P375 T376 V377 K382 K383	A374-D379 HydrophobicContact CB-CB 3.82Å; P375-D379 HydrophobicContact CG-CB 4.48Å; P375-D379 WeakPolarHBondContact CG-OD2 2.89Å; T376-D379 PolarHBondContact O-N 2.85Å; T376-D379 PolarHBondContact OG1-N 2.92Å; T376-D379 VanDerWaalsContact OG1-N 3.1Å; T376-D379 PolarHBondContact OG1-OD2 3.4Å; V377-D379 VanDerWaalsContact C-N 3.3Å; V377-D379 PolarHBondContact O-N 2.63Å; D379-K382 PolarHBondContact O-N 3.1Å; D379-K382 IonicContact OD1-NZ 3.22Å; D379-K382 PolarHBondContact OD1-NZ 2.81Å; D379-K383 WeakPolarHBondContact O-CG 3.33Å; D379-K383 PolarHBondContact O-N 3.47Å
380	C	95.6	Very high	92.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-40.5	167.5	-84.8	0	0	0	0	112.2	C344 A374 T376 V377 E378 K382 K383 I384 M392	C344-C380 HydrophobicContact CB-CB 3.67Å; C344-C380 WeakPolarHBondContact CB-SG 3.44Å; C344-C380 WeakPolarHBondContact SG-CA 3.3Å; C344-C380 WeakPolarHBondContact SG-CB 3.03Å; C344-C380 CovalentContact SG-SG 2.03Å; C344-C380 PolarHBondContact SG-SG 3Å; A374-C380 HydrophobicContact CB-CB 4.32Å; A374-C380 VanDerWaalsContact CB-SG 3.52Å; T376-C380 PolarHBondContact O-N 3.48Å; T376-C380 VanDerWaalsContact O-N 3.1Å; V377-C380 WeakPolarHBondContact O-CA 3.16Å; V377-C380 WeakPolarHBondContact O-CB 3.43Å; V377-C380 PolarHBondContact O-N 3.36Å; V377-C380 VanDerWaalsContact O-N 3.15Å; E378-C380 VanDerWaalsContact C-N 3.34Å; C380-K382 PolarHBondContact O-N 2.03Å; C380-K383 WeakPolarHBondContact O-CB 3.37Å; C380-K383 PolarHBondContact O-N 3.47Å; C380-I384 VanDerWaalsContact O-CG1 3.31Å; C380-I384 WeakPolarHBondContact O-CG1 3.2Å; C380-I384 PolarHBondContact O-N 3.2Å; C380-M392 HydrophobicContact CB-CE 3.75Å; C380-M392 HydrophobicContact CB-SD 3.28Å; C380-M392 WeakPolarHBondContact CB-SD 3.37Å
381	F	94.6	Very high	92.5	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.009	19%	0.192	C	C	.	.	H	α-helix	trans	-59.2	-45.9	173.6	-65.6	-16.8	0	0	0	111.7	V377 E378 K383 I384 M385 M392 V394 Q398 T401 A402 L407 V596 L679	V377-F381 HydrophobicContact CG1-CD1 4.35Å; V377-F381 HydrophobicContact CG1-CD2 4.47Å; V377-F381 HydrophobicContact CG1-CE1 3.76Å; V377-F381 HydrophobicContact CG1-CE2 3.9Å; V377-F381 HydrophobicContact CG1-CZ 3.51Å; V377-F381 PolarHBondContact O-N 2.84Å; E378-F381 WeakPolarHBondContact O-CB 3.42Å; E378-F381 PolarHBondContact O-N 3.33Å; F381-K383 VanDerWaalsContact C-N 3.32Å; F381-K383 PolarHBondContact O-N 3.47Å; F381-I384 PolarHBondContact O-N 3.41Å; F381-I384 VanDerWaalsContact O-N 3.12Å; F381-M385 WeakPolarHBondContact O-CG 3.36Å; F381-M385 PolarHBondContact O-N 2.87Å; F381-M392 HydrophobicContact CD1-SD 3.63Å; F381-M392 HydrophobicContact CE1-CG 4.22Å; F381-M392 HydrophobicContact CE1-SD 3.52Å; F381-M392 VanDerWaalsContact CE1-SD 3.52Å; F381-V394 HydrophobicContact CE1-CG1 3.75Å; F381-V394 HydrophobicContact CE1-CG2 4.48Å; F381-V394 HydrophobicContact CZ-CB 4.46Å; F381-V394 HydrophobicContact CZ-CG1 3.88Å; F381-V394 HydrophobicContact CZ-CG2 4.3Å; F381-Q398 HydrophobicContact CE2-CB 4.48Å; F381-Q398 HydrophobicContact CZ-CB 4.08Å; F381-Q398 WeakPolarHBondContact CZ-O 3.25Å; F381-T401 HydrophobicContact CD2-CG2 4.43Å; F381-T401 HydrophobicContact CE2-CG2 4.34Å; F381-A402 HydrophobicContact CD1-CB 4.49Å; F381-A402 HydrophobicContact CD2-CB 4.44Å; F381-A402 HydrophobicContact CE1-CB 4.01Å; F381-A402 HydrophobicContact CE2-CB 3.94Å; F381-A402 HydrophobicContact CZ-CB 3.69Å; F381-L407 HydrophobicContact CB-CD1 4.3Å; F381-L407 HydrophobicContact CD1-CD1 4.05Å; F381-L407 HydrophobicContact CG-CD1 4.3Å; F381-V596 HydrophobicContact CD1-CG2 4.33Å; F381-V596 HydrophobicContact CE1-CG2 3.66Å; F381-V596 HydrophobicContact CZ-CG2 4.46Å; F381-L679 HydrophobicContact CB-CD2 3.93Å; F381-L679 HydrophobicContact CD2-CD2 3.92Å; F381-L679 HydrophobicContact CG-CD2 4.46Å
382	K	91.4	Very high	92.7	Very high	44 Å²	44	36.9 Å²	36.9	19%	0.191	19%	0.185	C	C	.	.	H	α-helix	trans	-57.1	-44.6	174.5	-66.3	170.7	-163.7	161	0	111.5	E378 D379 C380 I384 M385 R386 L679	E378-K382 WeakPolarHBondContact O-CG 3.45Å; E378-K382 PolarHBondContact O-N 3.3Å; D379-K382 PolarHBondContact O-N 3.1Å; D379-K382 IonicContact OD1-NZ 3.22Å; D379-K382 PolarHBondContact OD1-NZ 2.81Å; C380-K382 PolarHBondContact O-N 2.03Å; K382-I384 PolarHBondContact O-N 2.91Å; K382-M385 PolarHBondContact O-N 3.48Å; K382-R386 WeakPolarHBondContact O-CB 3.42Å; K382-R386 WeakPolarHBondContact O-CD 3.23Å; K382-R386 WeakPolarHBondContact O-CG 3.28Å; K382-R386 PolarHBondContact O-N 2.82Å; K382-L679 HydrophobicContact CG-CD1 4.1Å
383	K	91.9	Very high	92.7	Very high	48 Å²	48	34.9 Å²	34.9	21%	0.209	18%	0.179	C	C	.	.	H	α-helix	trans	-61.2	-41.5	175.2	-74.6	-174.1	164.9	-70.7	0	112.7	N373 A374 D379 C380 F381 R386 K387 E388 A389	N373-K383 VanDerWaalsContact O-CE 3.27Å; N373-K383 WeakPolarHBondContact O-CE 2.96Å; A374-K383 HydrophobicContact CB-CD 4.35Å; D379-K383 WeakPolarHBondContact O-CG 3.33Å; D379-K383 PolarHBondContact O-N 3.47Å; C380-K383 WeakPolarHBondContact O-CB 3.37Å; C380-K383 PolarHBondContact O-N 3.47Å; F381-K383 VanDerWaalsContact C-N 3.32Å; F381-K383 PolarHBondContact O-N 3.47Å; K383-R386 PolarHBondContact O-N 3.34Å; K383-K387 PolarHBondContact O-N 2.71Å; K383-E388 HydrophobicContact CB-CB 4.08Å; K383-E388 HydrophobicContact CG-CB 4.28Å; K383-E388 IonicContact NZ-OE2 2.83Å; K383-E388 PolarHBondContact NZ-OE2 3.01Å; K383-E388 PolarHBondContact O-N 3.31Å; K383-A389 HydrophobicContact CB-CB 3.98Å; K383-A389 PolarHBondContact O-N 3.14Å; K383-A389 VanDerWaalsContact O-N 3.09Å
384	I	93.3	Very high	92.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.3	-47.1	176.7	-66.6	167	0	0	0	110.2	C380 F381 K382 R386 K387 A389 M392 L407 R598	C380-I384 VanDerWaalsContact O-CG1 3.31Å; C380-I384 WeakPolarHBondContact O-CG1 3.2Å; C380-I384 PolarHBondContact O-N 3.2Å; F381-I384 PolarHBondContact O-N 3.41Å; F381-I384 VanDerWaalsContact O-N 3.12Å; K382-I384 PolarHBondContact O-N 2.91Å; I384-R386 VanDerWaalsContact C-N 3.27Å; I384-R386 PolarHBondContact O-N 3.48Å; I384-K387 PolarHBondContact O-N 3.4Å; I384-K387 VanDerWaalsContact O-N 3.12Å; I384-A389 WeakPolarHBondContact CA-O 3.38Å; I384-A389 HydrophobicContact CG1-CB 3.93Å; I384-M392 HydrophobicContact CD1-CB 4.32Å; I384-M392 HydrophobicContact CD1-CG 3.77Å; I384-M392 HydrophobicContact CD1-SD 4.23Å; I384-L407 HydrophobicContact CB-CD1 4.31Å; I384-L407 HydrophobicContact CG2-CD1 4.02Å; I384-L407 HydrophobicContact CG2-CD2 3.69Å; I384-R598 HydrophobicContact CG2-CG 3.86Å; I384-R598 VanDerWaalsContact O-CD 3.29Å; I384-R598 WeakPolarHBondContact O-CD 3.42Å; I384-R598 PolarHBondContact O-NH1 3.45Å
385	M	89.4	Confident	92.5	Very high	18 Å²	18	32.4 Å²	32.4	9%	0.089	17%	0.165	C	C	.	.	H	α-helix	trans	-60.2	-38.5	177.7	-63.3	162.7	75.4	0	0	111.6	F314 L315 F381 K382 K387 C405 L407	F314-M385 HydrophobicContact CE1-CB 3.49Å; F314-M385 VanDerWaalsContact CE1-CB 3.49Å; F314-M385 HydrophobicContact CE1-CE 4.08Å; F314-M385 HydrophobicContact CZ-CB 3.65Å; F314-M385 VanDerWaalsContact CZ-O 3.3Å; F314-M385 WeakPolarHBondContact CZ-O 3.25Å; L315-M385 HydrophobicContact CD2-CE 3.79Å; L315-M385 HydrophobicContact CD2-SD 4.3Å; F381-M385 WeakPolarHBondContact O-CG 3.36Å; F381-M385 PolarHBondContact O-N 2.87Å; K382-M385 PolarHBondContact O-N 3.48Å; M385-K387 PolarHBondContact O-N 2.91Å; M385-C405 HydrophobicContact CE-CB 3.9Å; M385-C405 HydrophobicContact SD-CB 3.81Å; M385-L407 HydrophobicContact CG-CD2 4.14Å; M385-L407 HydrophobicContact CG-CG 4.49Å
386	R	85.9	Confident	92.2	Very high	82 Å²	82	27.8 Å²	27.8	31%	0.309	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	1.4	179	-69.9	170.8	178.2	-148.6	0.4	114.8	D312 F314 K382 K383 I384 E388	D312-R386 IonicContact OD1-NH2 3.81Å; D312-R386 PolarHBondContact OD1-NH2 3.15Å; D312-R386 IonicContact OD2-CZ 2.83Å; D312-R386 IonicContact OD2-NH2 3.69Å; D312-R386 PolarHBondContact OD2-NH2 2.99Å; F314-R386 HydrophobicContact CD1-CG 3.67Å; F314-R386 HydrophobicContact CD2-CG 3.67Å; F314-R386 HydrophobicContact CE1-CG 3.71Å; F314-R386 HydrophobicContact CE2-CB 4.38Å; F314-R386 HydrophobicContact CE2-CG 3.73Å; F314-R386 HydrophobicContact CG-CG 3.68Å; F314-R386 HydrophobicContact CZ-CB 4.46Å; F314-R386 HydrophobicContact CZ-CG 3.77Å; K382-R386 WeakPolarHBondContact O-CB 3.42Å; K382-R386 WeakPolarHBondContact O-CD 3.23Å; K382-R386 WeakPolarHBondContact O-CG 3.28Å; K382-R386 PolarHBondContact O-N 2.82Å; K383-R386 PolarHBondContact O-N 3.34Å; I384-R386 VanDerWaalsContact C-N 3.27Å; I384-R386 PolarHBondContact O-N 3.48Å; R386-E388 HydrophobicContact CB-CG 4.01Å; R386-E388 WeakPolarHBondContact CD-OE1 3.48Å; R386-E388 IonicContact NH1-OE1 3.81Å; R386-E388 PolarHBondContact O-N 3Å
387	K	88.6	Confident	91.7	Very high	79 Å²	79	25.1 Å²	25.1	34%	0.343	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	27.7	-172.7	-46.8	-170.1	178.5	-160.9	0	113.1	R342 K383 I384 M385 D600	R342-K387 PolarHBondContact NH1-O 2.88Å; R342-K387 PolarHBondContact NH2-O 2.85Å; K383-K387 PolarHBondContact O-N 2.71Å; I384-K387 PolarHBondContact O-N 3.4Å; I384-K387 VanDerWaalsContact O-N 3.12Å; M385-K387 PolarHBondContact O-N 2.91Å; K387-D600 IonicContact NZ-OD2 3.7Å; K387-D600 PolarHBondContact NZ-OD2 3.01Å; K387-D600 VanDerWaalsContact NZ-OD2 3.09Å
388	E	90.3	Very high	91.7	Very high	72 Å²	72	27.2 Å²	27.2	34%	0.336	13%	0.128	S	C	.	.	S	Bend	trans	-87.3	-28.5	169.9	-65.4	175	-153.4	0	0	111.5	R342 Q372 K383 R386	R342-E388 PolarHBondContact NH1-O 2.99Å; Q372-E388 WeakPolarHBondContact CG-O 3.37Å; K383-E388 HydrophobicContact CB-CB 4.08Å; K383-E388 HydrophobicContact CG-CB 4.28Å; K383-E388 IonicContact NZ-OE2 2.83Å; K383-E388 PolarHBondContact NZ-OE2 3.01Å; K383-E388 PolarHBondContact O-N 3.31Å; R386-E388 HydrophobicContact CB-CG 4.01Å; R386-E388 WeakPolarHBondContact CD-OE1 3.48Å; R386-E388 IonicContact NH1-OE1 3.81Å; R386-E388 PolarHBondContact O-N 3Å
389	A	95	Very high	91.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.116	C	C	.	.			trans	-129.1	170.8	168.9	0	0	0	0	0	109.6	C344 Q372 K383 I384 R598	C344-A389 HydrophobicContact CB-CB 3.86Å; Q372-A389 HydrophobicContact CB-CB 4.2Å; Q372-A389 HydrophobicContact CG-CB 4.15Å; K383-A389 HydrophobicContact CB-CB 3.98Å; K383-A389 PolarHBondContact O-N 3.14Å; K383-A389 VanDerWaalsContact O-N 3.09Å; I384-A389 WeakPolarHBondContact CA-O 3.38Å; I384-A389 HydrophobicContact CG1-CB 3.93Å; A389-R598 PolarHBondContact O-NH1 3.33Å
390	D	96.6	Very high	91.8	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.032	11%	0.106	C	C	.	.			trans	-119.8	-36.9	-176.8	-60.8	-45.9	0	0	0	113.1	R342 T597 R598 V601	R342-D390 WeakPolarHBondContact CB-OD2 3.28Å; R342-D390 IonicContact CZ-OD1 3.89Å; R342-D390 IonicContact CZ-OD2 2.77Å; R342-D390 PolarHBondContact N-OD2 3.21Å; R342-D390 IonicContact NE-OD1 3.88Å; R342-D390 IonicContact NE-OD2 3.06Å; R342-D390 PolarHBondContact NE-OD2 3.29Å; R342-D390 IonicContact NH2-OD1 3.83Å; R342-D390 PolarHBondContact NH2-OD1 2.78Å; R342-D390 IonicContact NH2-OD2 3.79Å; R342-D390 PolarHBondContact O-N 3.3Å; D390-T597 VanDerWaalsContact O-CB 3.32Å; D390-T597 WeakPolarHBondContact O-CB 3.46Å; D390-T597 PolarHBondContact O-OG1 2.86Å; D390-R598 IonicContact OD1-CZ 2.87Å; D390-R598 IonicContact OD1-NH1 2.96Å; D390-R598 PolarHBondContact OD1-NH1 3.5Å; D390-R598 IonicContact OD1-NH2 3.69Å; D390-R598 PolarHBondContact OD1-NH2 2.9Å; D390-V601 HydrophobicContact CB-CG2 4.49Å
391	A	98.1	Very high	91.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	160.3	-177.9	0	0	0	0	0	113.2	R342 W343 C344 V595 V596 V605	R342-A391 PolarHBondContact O-N 3.25Å; W343-A391 WeakPolarHBondContact CA-O 3.47Å; W343-A391 HydrophobicContact CE3-CB 4.06Å; W343-A391 HydrophobicContact CZ3-CB 3.95Å; C344-A391 PolarHBondContact N-O 2.82Å; A391-V595 HydrophobicContact CB-CG1 3.9Å; A391-V596 WeakPolarHBondContact CA-O 3.45Å; A391-V605 HydrophobicContact CB-CG1 3.89Å; A391-V605 HydrophobicContact CB-CG2 4.06Å
392	M	98.1	Very high	91.5	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.02	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	159.5	166.3	66.6	177.4	-50.5	0	0	109.9	C344 V346 V377 C380 F381 I384 V394 V595 V596	C344-M392 HydrophobicContact CB-CB 4.32Å; C344-M392 WeakPolarHBondContact O-CB 3.27Å; V346-M392 HydrophobicContact CG2-CE 3.86Å; V377-M392 HydrophobicContact CB-CE 4.19Å; V377-M392 HydrophobicContact CG1-CE 3.83Å; V377-M392 HydrophobicContact CG1-SD 4.08Å; V377-M392 HydrophobicContact CG2-CE 3.99Å; C380-M392 HydrophobicContact CB-CE 3.75Å; C380-M392 HydrophobicContact CB-SD 3.28Å; C380-M392 WeakPolarHBondContact CB-SD 3.37Å; F381-M392 HydrophobicContact CD1-SD 3.63Å; F381-M392 HydrophobicContact CE1-CG 4.22Å; F381-M392 HydrophobicContact CE1-SD 3.52Å; F381-M392 VanDerWaalsContact CE1-SD 3.52Å; I384-M392 HydrophobicContact CD1-CB 4.32Å; I384-M392 HydrophobicContact CD1-CG 3.77Å; I384-M392 HydrophobicContact CD1-SD 4.23Å; M392-V394 HydrophobicContact CE-CG1 3.66Å; M392-V394 HydrophobicContact CG-CG1 3.88Å; M392-V394 HydrophobicContact SD-CG1 3.79Å; M392-V595 CarbonylContact O-C 3.56Å; M392-V595 VanDerWaalsContact O-CA 3.28Å; M392-V595 WeakPolarHBondContact O-CA 3.25Å; M392-V596 HydrophobicContact CG-CG2 4Å; M392-V596 PolarHBondContact N-O 2.77Å; M392-V596 PolarHBondContact O-N 2.83Å
393	A	96.8	Very high	91.6	Very high	16 Å²	16	21.7 Å²	21.7	13%	0.132	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	138.2	171	0	0	0	0	0	111.4	W343 A594 V595 L637 F638	W343-A393 HydrophobicContact CH2-CB 4.41Å; W343-A393 HydrophobicContact CZ2-CB 4.03Å; A393-A594 CarbonylContact C-O 3.6Å; A393-A594 WeakPolarHBondContact CA-O 3.44Å; A393-V595 HydrophobicContact CB-CG2 4.27Å; A393-L637 WeakPolarHBondContact CB-O 3.13Å; A393-F638 HydrophobicContact CB-CD1 3.85Å; A393-F638 HydrophobicContact CB-CE1 3.83Å
394	V	93.9	Very high	91.5	Very high	1 Å²	1	22 Å²	22	1%	0.006	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	158	-174.5	-66.8	0	0	0	0	112.3	V377 F381 M392 Q398 V399 H593 A594 V596	V377-V394 HydrophobicContact CG1-CG1 3.66Å; F381-V394 HydrophobicContact CE1-CG1 3.75Å; F381-V394 HydrophobicContact CE1-CG2 4.48Å; F381-V394 HydrophobicContact CZ-CB 4.46Å; F381-V394 HydrophobicContact CZ-CG1 3.88Å; F381-V394 HydrophobicContact CZ-CG2 4.3Å; M392-V394 HydrophobicContact CE-CG1 3.66Å; M392-V394 HydrophobicContact CG-CG1 3.88Å; M392-V394 HydrophobicContact SD-CG1 3.79Å; V394-Q398 HydrophobicContact CB-CB 3.7Å; V394-Q398 HydrophobicContact CG1-CB 4.31Å; V394-Q398 HydrophobicContact CG2-CB 4.05Å; V394-V399 HydrophobicContact CG2-CG2 3.84Å; V394-H593 CarbonylContact O-C 3.56Å; V394-H593 WeakPolarHBondContact O-CA 3.3Å; V394-H593 WeakPolarHBondContact O-CB 3.48Å; V394-A594 PolarHBondContact N-O 3.29Å; V394-A594 PolarHBondContact O-N 3.25Å; V394-V596 HydrophobicContact CG1-CG2 4.5Å; V394-V596 HydrophobicContact CG2-CB 4.47Å; V394-V596 HydrophobicContact CG2-CG1 3.74Å; V394-V596 HydrophobicContact CG2-CG2 3.89Å
395	D	88.8	Confident	91.3	Very high	21 Å²	21	22.7 Å²	22.7	11%	0.112	11%	0.111	C	C	.	.			trans	-66.1	155.2	173.4	176.7	83.3	0	0	0	111.1	G397 Q398 V399 Y430 T460 H593	D395-G397 PolarHBondContact O-N 3.48Å; D395-G397 VanDerWaalsContact O-N 3.07Å; D395-G397 PolarHBondContact OD2-N 3.48Å; D395-Q398 WeakPolarHBondContact O-CA 3.39Å; D395-Q398 WeakPolarHBondContact O-CB 3.41Å; D395-Q398 PolarHBondContact O-N 2.86Å; D395-V399 PolarHBondContact O-N 2.87Å; D395-V399 VanDerWaalsContact O-N 3.07Å; D395-Y430 PolarHBondContact OD1-OH 3.15Å; D395-T460 PolarHBondContact OD2-OG1 3.12Å; D395-H593 IonicContact OD1-CD2 3Å; D395-H593 IonicContact OD1-NE2 3.99Å
396	G	82.1	Confident	91.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-49.6	-36.4	177.7	0	0	0	0	0	114.2	Q398 V399 Y400 L658	G396-Q398 VanDerWaalsContact C-N 3.29Å; G396-Q398 PolarHBondContact O-N 3.32Å; G396-V399 WeakPolarHBondContact O-CB 3.27Å; G396-V399 PolarHBondContact O-N 3.44Å; G396-Y400 PolarHBondContact O-N 3.32Å; G396-L658 WeakPolarHBondContact O-CD2 3.32Å
397	G	80.8	Confident	91.7	Very high	7 Å²	7	19.7 Å²	19.7	7%	0.072	11%	0.109	C	C	.	.	H	α-helix	trans	-69.3	-26.3	176.4	0	0	0	0	0	115	D395 Y400 T460 Y662	D395-G397 PolarHBondContact O-N 3.48Å; D395-G397 VanDerWaalsContact O-N 3.07Å; D395-G397 PolarHBondContact OD2-N 3.48Å; G397-Y400 WeakPolarHBondContact O-CB 3.45Å; G397-T460 VanDerWaalsContact CA-OG1 3.26Å; G397-T460 WeakPolarHBondContact CA-OG1 3.47Å; G397-T460 PolarHBondContact N-OG1 3.14Å; G397-Y662 WeakPolarHBondContact CA-OH 3.17Å
398	Q	90.8	Very high	92.1	Very high	71 Å²	71	17.5 Å²	17.5	33%	0.332	10%	0.102	S	C	.	.	H	α-helix	trans	-81.7	-25.1	173.7	-72.1	174.4	-33.6	0	0	111.8	V377 F381 V394 D395 G396 Y400 T401 A402	V377-Q398 HydrophobicContact CG1-CB 4.49Å; V377-Q398 HydrophobicContact CG1-CG 4.32Å; F381-Q398 HydrophobicContact CE2-CB 4.48Å; F381-Q398 HydrophobicContact CZ-CB 4.08Å; F381-Q398 WeakPolarHBondContact CZ-O 3.25Å; V394-Q398 HydrophobicContact CB-CB 3.7Å; V394-Q398 HydrophobicContact CG1-CB 4.31Å; V394-Q398 HydrophobicContact CG2-CB 4.05Å; D395-Q398 WeakPolarHBondContact O-CA 3.39Å; D395-Q398 WeakPolarHBondContact O-CB 3.41Å; D395-Q398 PolarHBondContact O-N 2.86Å; G396-Q398 VanDerWaalsContact C-N 3.29Å; G396-Q398 PolarHBondContact O-N 3.32Å; Q398-Y400 PolarHBondContact O-N 2.94Å; Q398-T401 PolarHBondContact O-N 2.7Å; Q398-A402 WeakPolarHBondContact O-CB 3.21Å; Q398-A402 PolarHBondContact O-N 3.17Å
399	V	93.4	Very high	92.3	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.006	9%	0.086	C	C	.	.	H	α-helix	trans	-60.2	-35.2	168.6	-178.9	0	0	0	0	110.9	V394 D395 G396 A402 G403 P409 A594 V596 F657 L658	V394-V399 HydrophobicContact CG2-CG2 3.84Å; D395-V399 PolarHBondContact O-N 2.87Å; D395-V399 VanDerWaalsContact O-N 3.07Å; G396-V399 WeakPolarHBondContact O-CB 3.27Å; G396-V399 PolarHBondContact O-N 3.44Å; V399-A402 PolarHBondContact O-N 2.78Å; V399-G403 PolarHBondContact O-N 3.13Å; V399-P409 HydrophobicContact CG1-CB 4.43Å; V399-A594 HydrophobicContact CG2-CB 3.79Å; V399-V596 HydrophobicContact CB-CG1 4.48Å; V399-V596 HydrophobicContact CG1-CG1 4.33Å; V399-V596 HydrophobicContact CG2-CG1 4.08Å; V399-F657 HydrophobicContact CG1-CD1 3.9Å; V399-F657 HydrophobicContact CG1-CE1 4.25Å; V399-F657 HydrophobicContact CG2-CE1 4.22Å; V399-L658 HydrophobicContact CB-CD2 4.28Å; V399-L658 HydrophobicContact CG1-CD1 4.49Å; V399-L658 HydrophobicContact CG1-CG 4.47Å
400	Y	91.9	Very high	92.4	Very high	6 Å²	6	14.1 Å²	14.1	2%	0.024	9%	0.086	C	C	.	.	H	α-helix	trans	-61	-52	174.7	179.2	-88	0	0	0	111.7	G396 G397 Q398 A402 G403 K404 Y654 L658 Y662 M663 M666 E680	G396-Y400 PolarHBondContact O-N 3.32Å; G397-Y400 WeakPolarHBondContact O-CB 3.45Å; Q398-Y400 PolarHBondContact O-N 2.94Å; Y400-A402 PolarHBondContact O-N 2.6Å; Y400-G403 PolarHBondContact O-N 2.78Å; Y400-K404 HydrophobicContact CD1-CG 4.29Å; Y400-K404 HydrophobicContact CE1-CG 3.89Å; Y400-K404 VanDerWaalsContact CZ-CE 3.42Å; Y400-K404 WeakPolarHBondContact O-CG 3.31Å; Y400-K404 PolarHBondContact O-N 3.47Å; Y400-K404 WeakPolarHBondContact OH-CE 3.41Å; Y400-Y654 HydrophobicContact CD2-CD2 4.48Å; Y400-Y654 HydrophobicContact CD2-CE2 4.04Å; Y400-Y654 HydrophobicContact CE2-CE2 4.31Å; Y400-L658 HydrophobicContact CD2-CD1 4.29Å; Y400-Y662 HydrophobicContact CD2-CE1 4.35Å; Y400-M663 HydrophobicContact CD2-CE 4.09Å; Y400-M663 HydrophobicContact CD2-SD 3.8Å; Y400-M663 HydrophobicContact CE2-CE 3.71Å; Y400-M663 HydrophobicContact CE2-SD 3.99Å; Y400-M666 HydrophobicContact CD1-CE 3.67Å; Y400-M666 HydrophobicContact CD2-CB 4.13Å; Y400-M666 HydrophobicContact CD2-CE 4.48Å; Y400-M666 HydrophobicContact CD2-CG 4.12Å; Y400-M666 HydrophobicContact CE1-CE 3.78Å; Y400-M666 HydrophobicContact CE2-CB 3.73Å; Y400-M666 HydrophobicContact CE2-CG 4.23Å; Y400-M666 HydrophobicContact CG-CE 4.05Å; Y400-M666 HydrophobicContact CG-CG 4.47Å; Y400-E680 WeakPolarHBondContact CE1-OE1 3.27Å
401	T	91	Very high	92.4	Very high	15 Å²	15	13.9 Å²	13.9	9%	0.092	9%	0.085	C	C	.	.	H	α-helix	trans	-62.3	-43.3	177.5	-56.4	0	0	0	0	111.5	F381 Q398 G403 K404 C405 L679 E680	F381-T401 HydrophobicContact CD2-CG2 4.43Å; F381-T401 HydrophobicContact CE2-CG2 4.34Å; Q398-T401 PolarHBondContact O-N 2.7Å; T401-G403 VanDerWaalsContact C-N 3.3Å; T401-G403 PolarHBondContact O-N 3.2Å; T401-K404 PolarHBondContact O-N 2.84Å; T401-C405 PolarHBondContact O-N 3.24Å; T401-C405 VanDerWaalsContact O-N 3.14Å; T401-C405 PolarHBondContact O-SG 2.95Å; T401-L679 HydrophobicContact CG2-CD2 4.37Å; T401-E680 HydrophobicContact CG2-CB 4.3Å
402	A	93.7	Very high	92.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-57.3	-45.1	175.2	0	0	0	0	0	111.5	F381 Q398 V399 Y400 C405 G406 L407 V596	F381-A402 HydrophobicContact CD1-CB 4.49Å; F381-A402 HydrophobicContact CD2-CB 4.44Å; F381-A402 HydrophobicContact CE1-CB 4.01Å; F381-A402 HydrophobicContact CE2-CB 3.94Å; F381-A402 HydrophobicContact CZ-CB 3.69Å; Q398-A402 WeakPolarHBondContact O-CB 3.21Å; Q398-A402 PolarHBondContact O-N 3.17Å; V399-A402 PolarHBondContact O-N 2.78Å; Y400-A402 PolarHBondContact O-N 2.6Å; A402-C405 CarbonylContact O-C 3.41Å; A402-C405 WeakPolarHBondContact O-CA 3.47Å; A402-C405 WeakPolarHBondContact O-CB 3.07Å; A402-C405 PolarHBondContact O-N 2.99Å; A402-G406 PolarHBondContact O-N 3.26Å; A402-L407 HydrophobicContact CB-CB 4.01Å; A402-L407 HydrophobicContact CB-CD1 4.14Å; A402-L407 WeakPolarHBondContact O-CB 3.34Å; A402-L407 PolarHBondContact O-N 3.06Å; A402-V596 HydrophobicContact CB-CB 4.21Å; A402-V596 HydrophobicContact CB-CG1 4.03Å; A402-V596 HydrophobicContact CB-CG2 4.18Å
403	G	92.9	Very high	91.9	Very high	9 Å²	9	13.8 Å²	13.8	9%	0.093	8%	0.084	C	C	.	.	H	α-helix	trans	-62	-41.7	176.2	0	0	0	0	0	113.9	V399 Y400 T401 C405 G406 L407 Y654	V399-G403 PolarHBondContact O-N 3.13Å; Y400-G403 PolarHBondContact O-N 2.78Å; T401-G403 VanDerWaalsContact C-N 3.3Å; T401-G403 PolarHBondContact O-N 3.2Å; G403-C405 PolarHBondContact O-N 3.41Å; G403-G406 PolarHBondContact O-N 3.4Å; G403-L407 WeakPolarHBondContact CA-O 3.48Å; G403-Y654 VanDerWaalsContact CA-CD1 3.45Å
404	K	89.7	Confident	91.7	Very high	54 Å²	54	13 Å²	13	24%	0.235	8%	0.078	C	C	.	.	H	α-helix	trans	-61.9	-23.7	171.9	-70.3	-57.6	-172.4	-168.8	0	113.3	Y400 T401 Y654 E680 C683 T684	Y400-K404 HydrophobicContact CD1-CG 4.29Å; Y400-K404 HydrophobicContact CE1-CG 3.89Å; Y400-K404 VanDerWaalsContact CZ-CE 3.42Å; Y400-K404 WeakPolarHBondContact O-CG 3.31Å; Y400-K404 PolarHBondContact O-N 3.47Å; Y400-K404 WeakPolarHBondContact OH-CE 3.41Å; T401-K404 PolarHBondContact O-N 2.84Å; K404-Y654 WeakPolarHBondContact CD-OH 3.33Å; K404-Y654 WeakPolarHBondContact CE-OH 3.47Å; K404-Y654 PolarHBondContact NZ-OH 3.08Å; K404-E680 HydrophobicContact CB-CG 4.24Å; K404-E680 HydrophobicContact CG-CG 4.21Å; K404-C683 WeakPolarHBondContact O-CB 3.48Å; K404-T684 HydrophobicContact CB-CG2 3.98Å; K404-T684 HydrophobicContact CD-CG2 3.96Å; K404-T684 HydrophobicContact CG-CG2 4.25Å
405	C	90.3	Very high	91.5	Very high	14 Å²	14	15.9 Å²	15.9	10%	0.095	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	13.1	174.7	-63.3	0	0	0	0	113.9	M385 T401 A402 G403 L407 C683	M385-C405 HydrophobicContact CE-CB 3.9Å; M385-C405 HydrophobicContact SD-CB 3.81Å; T401-C405 PolarHBondContact O-N 3.24Å; T401-C405 VanDerWaalsContact O-N 3.14Å; T401-C405 PolarHBondContact O-SG 2.95Å; A402-C405 CarbonylContact O-C 3.41Å; A402-C405 WeakPolarHBondContact O-CA 3.47Å; A402-C405 WeakPolarHBondContact O-CB 3.07Å; A402-C405 PolarHBondContact O-N 2.99Å; G403-C405 PolarHBondContact O-N 3.41Å; C405-L407 VanDerWaalsContact C-N 3.34Å; C405-L407 PolarHBondContact O-N 3.24Å; C405-C683 VanDerWaalsContact CA-SG 3.6Å; C405-C683 HydrophobicContact CB-CB 3.87Å; C405-C683 WeakPolarHBondContact CB-SG 3.41Å; C405-C683 WeakPolarHBondContact SG-CB 3.31Å; C405-C683 CovalentContact SG-SG 2.04Å; C405-C683 PolarHBondContact SG-SG 3.35Å
406	G	89.8	Confident	91.3	Very high	31 Å²	31	19.3 Å²	19.3	32%	0.32	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	7.1	176.4	0	0	0	0	0	115.2	A402 G403	A402-G406 PolarHBondContact O-N 3.26Å; G403-G406 PolarHBondContact O-N 3.4Å
407	L	93.9	Very high	91.5	Very high	6 Å²	6	23.1 Å²	23.1	3%	0.031	12%	0.122	C	C	.	.			trans	-81.5	153.9	172.2	-53.3	-175.7	0	0	0	110.5	F381 I384 M385 A402 G403 C405 T597 R598	F381-L407 HydrophobicContact CB-CD1 4.3Å; F381-L407 HydrophobicContact CD1-CD1 4.05Å; F381-L407 HydrophobicContact CG-CD1 4.3Å; I384-L407 HydrophobicContact CB-CD1 4.31Å; I384-L407 HydrophobicContact CG2-CD1 4.02Å; I384-L407 HydrophobicContact CG2-CD2 3.69Å; M385-L407 HydrophobicContact CG-CD2 4.14Å; M385-L407 HydrophobicContact CG-CG 4.49Å; A402-L407 HydrophobicContact CB-CB 4.01Å; A402-L407 HydrophobicContact CB-CD1 4.14Å; A402-L407 WeakPolarHBondContact O-CB 3.34Å; A402-L407 PolarHBondContact O-N 3.06Å; G403-L407 WeakPolarHBondContact CA-O 3.48Å; C405-L407 VanDerWaalsContact C-N 3.34Å; C405-L407 PolarHBondContact O-N 3.24Å; L407-T597 CarbonylContact C-O 3.48Å; L407-T597 WeakPolarHBondContact CA-O 3.24Å; L407-T597 WeakPolarHBondContact CB-O 3.21Å; L407-R598 HydrophobicContact CD2-CG 3.98Å
408	V	95.6	Very high	91.8	Very high	33 Å²	33	29.3 Å²	29.3	20%	0.2	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146	-176.8	-65.2	0	0	0	0	111.3	V596 T597 P599 R602	V408-V596 WeakPolarHBondContact O-CA 3.44Å; V408-T597 HydrophobicContact CG2-CG2 4.36Å; V408-T597 PolarHBondContact N-O 2.89Å; V408-T597 PolarHBondContact O-N 3.15Å; V408-P599 HydrophobicContact CG1-CG 4.01Å; V408-P599 HydrophobicContact CG2-CG 4.31Å; V408-R602 HydrophobicContact CG2-CG 4.46Å
409	P	96.3	Very high	91.6	Very high	1 Å²	1	28 Å²	28	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	129.7	170.5	30.3	-33.3	0	0	0	110.2	V399 A594 V648 F657	V399-P409 HydrophobicContact CG1-CB 4.43Å; P409-A594 HydrophobicContact CB-CB 4.45Å; P409-V648 HydrophobicContact CB-CG1 4.35Å; P409-V648 HydrophobicContact CB-CG2 4.35Å; P409-V648 HydrophobicContact CG-CG1 4.19Å; P409-F657 HydrophobicContact CB-CD1 4.38Å; P409-F657 HydrophobicContact CB-CD2 4.39Å; P409-F657 HydrophobicContact CB-CG 4.18Å; P409-F657 HydrophobicContact CG-CB 3.87Å; P409-F657 HydrophobicContact CG-CD1 4.5Å; P409-F657 HydrophobicContact CG-CD2 4.5Å; P409-F657 HydrophobicContact CG-CG 4.04Å
410	A	96.4	Very high	91.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-44.7	-179.7	0	0	0	0	0	112.4	V595 T597 R602 V605 V606 V648	A410-V595 PolarHBondContact N-O 2.9Å; A410-T597 HydrophobicContact CB-CG2 3.7Å; A410-R602 HydrophobicContact CB-CG 4.05Å; A410-V605 HydrophobicContact CB-CG1 4.41Å; A410-V606 HydrophobicContact CB-CG2 4.01Å; A410-V648 PolarHBondContact O-N 3.43Å
411	M	95.3	Very high	90.5	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	159.1	178.4	-57.7	-162.8	82.5	0	0	110.6	A594 V595 V606 L609 Q610 L645 Q646 E647	M411-A594 CarbonylContact O-C 3.57Å; M411-A594 WeakPolarHBondContact O-CA 3.37Å; M411-A594 WeakPolarHBondContact O-CB 3.47Å; M411-V595 HydrophobicContact CB-CB 4.18Å; M411-V595 HydrophobicContact CB-CG2 4.09Å; M411-V595 PolarHBondContact O-N 2.86Å; M411-V606 HydrophobicContact CG-CG2 4.08Å; M411-L609 HydrophobicContact CG-CD1 4.26Å; M411-L609 HydrophobicContact SD-CB 3.44Å; M411-L609 WeakPolarHBondContact SD-CB 3.27Å; M411-L609 HydrophobicContact SD-CD1 3.74Å; M411-L609 HydrophobicContact SD-CG 4.26Å; M411-Q610 HydrophobicContact CE-CG 3.99Å; M411-L645 HydrophobicContact CB-CB 4.32Å; M411-L645 HydrophobicContact CE-CB 3.73Å; M411-L645 WeakPolarHBondContact CE-O 3.4Å; M411-L645 HydrophobicContact SD-CB 4.09Å; M411-L645 HydrophobicContact SD-CD1 4.42Å; M411-Q646 CarbonylContact C-O 3.2Å; M411-Q646 WeakPolarHBondContact CA-O 3.37Å; M411-Q646 WeakPolarHBondContact CB-O 3.23Å; M411-E647 HydrophobicContact CE-CB 4.45Å
412	V	94	Very high	89.8	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	140.8	-179.5	60.2	0	0	0	0	110.6	A427 A592 L645 Q646 V648 F657	V412-A427 HydrophobicContact CB-CB 4.31Å; V412-A427 HydrophobicContact CG1-CB 3.46Å; V412-A427 VanDerWaalsContact CG1-CB 3.46Å; V412-A427 HydrophobicContact CG2-CB 3.87Å; V412-A592 HydrophobicContact CG2-CB 4.03Å; V412-L645 WeakPolarHBondContact O-CA 3.4Å; V412-Q646 HydrophobicContact CG1-CB 4.14Å; V412-Q646 PolarHBondContact N-O 3.29Å; V412-Q646 PolarHBondContact O-N 3.18Å; V412-V648 HydrophobicContact CB-CG2 3.98Å; V412-V648 HydrophobicContact CG1-CG2 3.99Å; V412-F657 HydrophobicContact CB-CE2 3.96Å; V412-F657 HydrophobicContact CB-CZ 4.19Å; V412-F657 HydrophobicContact CG2-CE2 3.92Å; V412-F657 HydrophobicContact CG2-CZ 3.8Å
413	E	93.3	Very high	88.4	Confident	1 Å²	1	38 Å²	38	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	133.5	175.7	-67.2	-177.2	175.1	0	0	111.1	Y415 A592 H593 F638 K639 T642 L645	E413-Y415 HydrophobicContact CB-CD1 4.49Å; E413-Y415 HydrophobicContact CB-CE1 3.62Å; E413-Y415 HydrophobicContact CG-CE1 4.47Å; E413-Y415 WeakPolarHBondContact OE2-CE1 3.18Å; E413-Y415 VanDerWaalsContact OE2-CZ 3.29Å; E413-Y415 PolarHBondContact OE2-OH 3.39Å; E413-A592 HydrophobicContact CB-CB 4.4Å; E413-A592 WeakPolarHBondContact O-CB 3.33Å; E413-H593 HydrophobicContact CG-CB 4.08Å; E413-H593 PolarHBondContact N-O 3.03Å; E413-H593 WeakPolarHBondContact OE2-CB 3.41Å; E413-H593 IonicContact OE2-CG 3.99Å; E413-F638 HydrophobicContact CG-CD1 4.35Å; E413-F638 WeakPolarHBondContact OE1-CA 3.4Å; E413-F638 WeakPolarHBondContact OE1-CB 3.31Å; E413-F638 WeakPolarHBondContact OE1-CD1 3.41Å; E413-K639 PolarHBondContact OE1-N 3.35Å; E413-K639 VanDerWaalsContact OE2-CB 3.24Å; E413-K639 WeakPolarHBondContact OE2-CB 3.31Å; E413-K639 WeakPolarHBondContact OE2-CG 3.37Å; E413-T642 HydrophobicContact CB-CG2 4.02Å; E413-T642 HydrophobicContact CG-CG2 4Å; E413-T642 PolarHBondContact OE2-OG1 3.17Å; E413-L645 HydrophobicContact CG-CD2 3.87Å
414	Q	91.9	Very high	86.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127.9	172.8	177.3	57.7	-100	0	0	109.5	Q416 L419 T426 S428 K643 C644 Q646	Q414-Q416 VanDerWaalsContact CG-O 3.32Å; Q414-Q416 WeakPolarHBondContact CG-O 3.4Å; Q414-L419 HydrophobicContact CG-CB 4.1Å; Q414-T426 PolarHBondContact NE2-O 2.79Å; Q414-S428 PolarHBondContact OE1-OG 3.04Å; Q414-K643 WeakPolarHBondContact O-CB 3.32Å; Q414-K643 PolarHBondContact O-N 3.15Å; Q414-C644 VanDerWaalsContact CB-SG 3.59Å; Q414-C644 PolarHBondContact N-O 3.17Å; Q414-Q646 HydrophobicContact CB-CG 4.18Å
415	Y	89.3	Confident	85.4	Confident	61 Å²	61	41.9 Å²	41.9	24%	0.239	25%	0.252	C	S	.	.			trans	-101.2	-12.3	-176.6	-52	-42.8	0	0	0	113.4	E413 S428 A592 K639 K643	E413-Y415 HydrophobicContact CB-CD1 4.49Å; E413-Y415 HydrophobicContact CB-CE1 3.62Å; E413-Y415 HydrophobicContact CG-CE1 4.47Å; E413-Y415 WeakPolarHBondContact OE2-CE1 3.18Å; E413-Y415 VanDerWaalsContact OE2-CZ 3.29Å; E413-Y415 PolarHBondContact OE2-OH 3.39Å; Y415-S428 WeakPolarHBondContact CB-OG 3.03Å; Y415-S428 PolarHBondContact N-OG 3.06Å; Y415-A592 HydrophobicContact CD2-CB 4.48Å; Y415-A592 HydrophobicContact CE2-CB 3.65Å; Y415-K639 HydrophobicContact CE1-CB 3.91Å; Y415-K639 HydrophobicContact CE1-CG 4.2Å; Y415-K643 VanDerWaalsContact O-CG 3.28Å; Y415-K643 WeakPolarHBondContact O-CG 3.46Å
416	Q	86.1	Confident	84.2	Confident	93 Å²	93	44.2 Å²	44.2	44%	0.435	27%	0.266	S	S	.	.			trans	-105.3	121.9	176.6	-64.6	177.5	27.3	0	0	110.1	Q414 E418 L419	Q414-Q416 VanDerWaalsContact CG-O 3.32Å; Q414-Q416 WeakPolarHBondContact CG-O 3.4Å; Q416-E418 VanDerWaalsContact C-N 3.32Å; Q416-E418 HydrophobicContact CB-CG 4.35Å; Q416-E418 PolarHBondContact O-N 3.3Å; Q416-L419 HydrophobicContact CB-CB 4.28Å; Q416-L419 HydrophobicContact CB-CD1 4.05Å; Q416-L419 HydrophobicContact CB-CG 4.08Å; Q416-L419 PolarHBondContact O-N 2.95Å; Q416-L419 VanDerWaalsContact O-N 3.16Å
417	Q	85.8	Confident	83.2	Confident	80 Å²	80	43.7 Å²	43.7	37%	0.374	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-63.6	-40.9	-173.3	-175.9	71.4	30.4	0	0	111.5	L419 C420 D619 K643	Q417-L419 PolarHBondContact O-N 3.15Å; Q417-C420 WeakPolarHBondContact O-CB 3.33Å; Q417-C420 PolarHBondContact O-N 3.28Å; Q417-C420 VanDerWaalsContact O-N 3.1Å; Q417-D619 PolarHBondContact NE2-OD2 3.23Å; Q417-K643 HydrophobicContact CB-CG 4.46Å
418	E	85.6	Confident	82.6	Confident	138 Å²	138	43.8 Å²	43.8	65%	0.645	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-59.9	-24.9	178.3	56.8	-88.1	-153.3	0	0	113.2	Q416	Q416-E418 VanDerWaalsContact C-N 3.32Å; Q416-E418 HydrophobicContact CB-CG 4.35Å; Q416-E418 PolarHBondContact O-N 3.3Å
419	L	86.5	Confident	82.2	Confident	42 Å²	42	44.9 Å²	44.9	22%	0.22	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-91.9	-6.7	179.4	-63.6	-176.7	0	0	0	113.3	Q414 Q416 Q417 G421 S422 Q646	Q414-L419 HydrophobicContact CG-CB 4.1Å; Q416-L419 HydrophobicContact CB-CB 4.28Å; Q416-L419 HydrophobicContact CB-CD1 4.05Å; Q416-L419 HydrophobicContact CB-CG 4.08Å; Q416-L419 PolarHBondContact O-N 2.95Å; Q416-L419 VanDerWaalsContact O-N 3.16Å; Q417-L419 PolarHBondContact O-N 3.15Å; L419-G421 VanDerWaalsContact C-N 3.26Å; L419-G421 PolarHBondContact O-N 2.99Å; L419-S422 VanDerWaalsContact O-CB 3.27Å; L419-S422 WeakPolarHBondContact O-CB 3.37Å; L419-S422 PolarHBondContact O-N 3.31Å; L419-Q646 PolarHBondContact O-NE2 3.11Å
420	C	85.3	Confident	81.9	Confident	34 Å²	34	45.3 Å²	45.3	23%	0.23	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-29.3	-179.2	-80.6	0	0	0	0	114.3	Q417 C644	Q417-C420 WeakPolarHBondContact O-CB 3.33Å; Q417-C420 PolarHBondContact O-N 3.28Å; Q417-C420 VanDerWaalsContact O-N 3.1Å; C420-C644 WeakPolarHBondContact CA-SG 2.99Å; C420-C644 HydrophobicContact CB-CB 3.88Å; C420-C644 WeakPolarHBondContact CB-SG 3.06Å; C420-C644 WeakPolarHBondContact SG-CB 3.47Å; C420-C644 CovalentContact SG-SG 2.03Å; C420-C644 PolarHBondContact SG-SG 2.97Å
421	G	78.4	Confident	81.8	Confident	83 Å²	83	48 Å²	48	86%	0.856	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	1.9	173	0	0	0	0	0	114.4	L419	L419-G421 VanDerWaalsContact C-N 3.26Å; L419-G421 PolarHBondContact O-N 2.99Å
422	S	74.9	Confident	81.8	Confident	48 Å²	48	48 Å²	48	34%	0.336	28%	0.281	S	S	.	.	S	Bend	trans	-85.9	167.5	-177.6	-61.9	0	0	0	0	111.9	L419 T426 Q646	L419-S422 VanDerWaalsContact O-CB 3.27Å; L419-S422 WeakPolarHBondContact O-CB 3.37Å; L419-S422 PolarHBondContact O-N 3.31Å; S422-T426 VanDerWaalsContact CB-OG1 3.29Å; S422-T426 WeakPolarHBondContact CB-OG1 3.43Å; S422-Q646 PolarHBondContact O-NE2 3.21Å
423	S	65.9	Low	82	Confident	67 Å²	67	48 Å²	48	47%	0.469	28%	0.281	S	S	.	.			trans	-53.9	142.4	173.7	180	0	0	0	0	110.8	D425 T426	S423-D425 PolarHBondContact O-N 3.07Å; S423-T426 PolarHBondContact O-N 3.41Å; S423-T426 PolarHBondContact O-OG1 2.82Å
424	P	60	Low	82.2	Confident	40 Å²	40	48 Å²	48	26%	0.26	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-62.2	-13.3	179	23	-33.3	0	0	0	115.4	T426 A427 Q646 E647	P424-T426 PolarHBondContact O-N 3.49Å; P424-A427 PolarHBondContact O-N 3.22Å; P424-Q646 HydrophobicContact CB-CB 4.46Å; P424-E647 WeakPolarHBondContact CB-O 3.35Å; P424-E647 VanDerWaalsContact CG-O 3.28Å; P424-E647 WeakPolarHBondContact CG-O 3.06Å
425	D	58	Low	82.6	Confident	106 Å²	106	48 Å²	48	57%	0.567	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-72.6	-7.1	172.1	-66.1	-44.3	0	0	0	113.7	S423 K652	S423-D425 PolarHBondContact O-N 3.07Å; D425-K652 IonicContact OD1-NZ 2.74Å; D425-K652 PolarHBondContact OD1-NZ 2.86Å
426	T	65.4	Low	83	Confident	62 Å²	62	45.1 Å²	45.1	38%	0.38	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-101.2	25.4	172.1	66.8	0	0	0	0	112.7	Q414 S422 S423 P424	Q414-T426 PolarHBondContact NE2-O 2.79Å; S422-T426 VanDerWaalsContact CB-OG1 3.29Å; S422-T426 WeakPolarHBondContact CB-OG1 3.43Å; S423-T426 PolarHBondContact O-N 3.41Å; S423-T426 PolarHBondContact O-OG1 2.82Å; P424-T426 PolarHBondContact O-N 3.49Å
427	A	69.1	Low	83.6	Confident	20 Å²	20	44.2 Å²	44.2	17%	0.165	26%	0.264	C	S	.	.			trans	-55.1	146.4	177.5	0	0	0	0	0	111.5	V412 P424 S429	V412-A427 HydrophobicContact CB-CB 4.31Å; V412-A427 HydrophobicContact CG1-CB 3.46Å; V412-A427 VanDerWaalsContact CG1-CB 3.46Å; V412-A427 HydrophobicContact CG2-CB 3.87Å; P424-A427 PolarHBondContact O-N 3.22Å; A427-S429 PolarHBondContact O-N 2.98Å
428	S	81.7	Confident	84.1	Confident	8 Å²	8	46 Å²	46	6%	0.056	27%	0.271	C	S	.	.			trans	-52.8	141.3	175.5	-90.8	0	0	0	0	110.5	Q414 Y415 A592	Q414-S428 PolarHBondContact OE1-OG 3.04Å; Y415-S428 WeakPolarHBondContact CB-OG 3.03Å; Y415-S428 PolarHBondContact N-OG 3.06Å; S428-A592 WeakPolarHBondContact O-CB 3.28Å; S428-A592 PolarHBondContact O-N 2.95Å
429	S	88	Confident	84.4	Confident	56 Å²	56	45 Å²	45	39%	0.392	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	156.2	176.3	-66.1	0	0	0	0	108.8	A427 V590	A427-S429 PolarHBondContact O-N 2.98Å; S429-V590 CarbonylContact C-O 3.17Å; S429-V590 VanDerWaalsContact CA-O 3.28Å; S429-V590 WeakPolarHBondContact CA-O 3.18Å; S429-V590 WeakPolarHBondContact CB-O 3.32Å
430	Y	89.5	Confident	84.9	Confident	11 Å²	11	45.7 Å²	45.7	4%	0.043	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.9	167.8	68.3	-92.5	0	0	0	110.5	D395 T460 A461 K543 V590	D395-Y430 PolarHBondContact OD1-OH 3.15Å; Y430-T460 WeakPolarHBondContact OH-CG2 3.33Å; Y430-A461 HydrophobicContact CE2-CB 4.12Å; Y430-K543 HydrophobicContact CD1-CD 4.17Å; Y430-K543 VanDerWaalsContact CD1-NZ 3.27Å; Y430-K543 HydrophobicContact CD2-CB 4.06Å; Y430-K543 HydrophobicContact CD2-CD 3.44Å; Y430-K543 VanDerWaalsContact CD2-CD 3.44Å; Y430-K543 HydrophobicContact CD2-CG 3.5Å; Y430-K543 HydrophobicContact CE1-CD 4.48Å; Y430-K543 HydrophobicContact CE2-CD 3.82Å; Y430-K543 VanDerWaalsContact CE2-CE 3.49Å; Y430-K543 HydrophobicContact CE2-CG 3.8Å; Y430-K543 HydrophobicContact CG-CD 3.61Å; Y430-K543 HydrophobicContact CG-CG 4.18Å; Y430-V590 HydrophobicContact CD1-CB 4.23Å; Y430-V590 HydrophobicContact CD2-CB 4.17Å; Y430-V590 HydrophobicContact CD2-CG2 4.42Å; Y430-V590 HydrophobicContact CE1-CB 3.83Å; Y430-V590 HydrophobicContact CE1-CG1 3.79Å; Y430-V590 HydrophobicContact CE2-CB 3.75Å; Y430-V590 HydrophobicContact CE2-CG1 4.26Å; Y430-V590 HydrophobicContact CE2-CG2 3.87Å; Y430-V590 HydrophobicContact CG-CB 4.42Å; Y430-V590 PolarHBondContact N-O 2.96Å; Y430-V590 PolarHBondContact O-N 2.92Å
431	Y	93.4	Very high	85.4	Confident	57 Å²	57	46.4 Å²	46.4	22%	0.224	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	126	176.1	-59.5	-86.5	0	0	0	110	K543 H544 F582 V583 H586 A589	Y431-K543 CarbonylContact O-C 3.44Å; Y431-K543 WeakPolarHBondContact O-CA 2.98Å; Y431-H544 AromaticContact CD2-CE1 3.96Å; Y431-H544 AromaticContact CD2-ND1 3.91Å; Y431-H544 PolarHBondContact N-ND1 3Å; Y431-H544 VanDerWaalsContact N-ND1 3.11Å; Y431-H544 PolarHBondContact O-N 2.95Å; Y431-H544 PolarHBondContact O-ND1 2.88Å; Y431-F582 AromaticContact CD2-CD2 3.36Å; Y431-F582 HydrophobicContact CD2-CD2 3.36Å; Y431-F582 AromaticContact CD2-CE2 3.5Å; Y431-F582 HydrophobicContact CD2-CE2 3.5Å; Y431-F582 VanDerWaalsContact CD2-CE2 3.5Å; Y431-F582 AromaticContact CE2-CD2 3.92Å; Y431-F582 HydrophobicContact CE2-CD2 3.92Å; Y431-F582 AromaticContact CE2-CE2 3.7Å; Y431-F582 HydrophobicContact CE2-CE2 3.7Å; Y431-F582 AromaticContact CG-CD2 3.86Å; Y431-F582 HydrophobicContact CG-CD2 3.86Å; Y431-F582 HydrophobicContact CG-CE2 4.43Å; Y431-V583 HydrophobicContact CE2-CG2 4.25Å; Y431-H586 HydrophobicContact CD1-CB 4.07Å; Y431-H586 AromaticContact CD1-CD2 3.88Å; Y431-H586 AromaticContact CD1-CE1 3.73Å; Y431-H586 AromaticContact CD1-CG 3.56Å; Y431-H586 AromaticContact CD1-ND1 3.47Å; Y431-H586 WeakPolarHBondContact CD1-ND1 3.38Å; Y431-H586 AromaticContact CD1-NE2 3.97Å; Y431-H586 AromaticContact CE1-CE1 3.77Å; Y431-H586 AromaticContact CE1-ND1 3.9Å; Y431-H586 HydrophobicContact CG-CB 4.42Å; Y431-A589 HydrophobicContact CD1-CB 4.04Å; Y431-A589 HydrophobicContact CE1-CB 3.88Å
432	A	95.9	Very high	86.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	126.5	167.9	0	0	0	0	0	109	A461 I465 H586 L587 A588 V590	A432-A461 HydrophobicContact CB-CB 3.57Å; A432-I465 HydrophobicContact CB-CD1 3.56Å; A432-I465 HydrophobicContact CB-CG2 4.4Å; A432-H586 WeakPolarHBondContact O-CB 3.42Å; A432-L587 PolarHBondContact O-N 2.93Å; A432-A588 PolarHBondContact N-O 2.88Å; A432-V590 HydrophobicContact CB-CG2 4.48Å
433	V	97.9	Very high	87.3	Confident	1 Å²	1	42 Å²	42	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	155.9	-173.2	-61	0	0	0	0	111.4	V435 F541 I542 H544 L569 F582 H586	V433-V435 HydrophobicContact CG2-CG2 3.81Å; V433-F541 WeakPolarHBondContact O-CA 3.42Å; V433-I542 HydrophobicContact CG2-CG1 4.32Å; V433-I542 PolarHBondContact N-O 2.8Å; V433-I542 PolarHBondContact O-N 3.44Å; V433-I542 VanDerWaalsContact O-N 3.08Å; V433-H544 HydrophobicContact CG1-CB 3.99Å; V433-H544 HydrophobicContact CG2-CB 4.43Å; V433-L569 HydrophobicContact CB-CD2 4.05Å; V433-L569 HydrophobicContact CG1-CD1 4.25Å; V433-L569 HydrophobicContact CG1-CD2 4.49Å; V433-L569 HydrophobicContact CG2-CD2 4.08Å; V433-F582 HydrophobicContact CG1-CB 4.18Å; V433-H586 HydrophobicContact CG1-CB 4.14Å
434	A	98.5	Very high	88.8	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	116.6	168.7	0	0	0	0	0	108.9	W444 V539 A540 F541 L569 I570 L587	A434-W444 HydrophobicContact CB-CZ3 4.34Å; A434-V539 HydrophobicContact CB-CG2 4.07Å; A434-A540 WeakPolarHBondContact CA-O 3.48Å; A434-F541 HydrophobicContact CB-CD1 3.79Å; A434-F541 HydrophobicContact CB-CE1 3.66Å; A434-L569 WeakPolarHBondContact O-CA 3.34Å; A434-I570 HydrophobicContact CB-CD1 4.26Å; A434-I570 HydrophobicContact CB-CG1 3.62Å; A434-I570 PolarHBondContact O-N 3.23Å; A434-L587 HydrophobicContact CB-CD1 4.3Å
435	V	98.7	Very high	90.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	136	-176	-173	0	0	0	0	109.6	V433 F529 L532 V539 A540 I542 V547 Y567 Q568 L569	V433-V435 HydrophobicContact CG2-CG2 3.81Å; V435-F529 HydrophobicContact CG1-CE2 4.36Å; V435-L532 HydrophobicContact CB-CD2 4.18Å; V435-L532 HydrophobicContact CG1-CD2 3.94Å; V435-L532 WeakPolarHBondContact O-CD2 3.21Å; V435-V539 CarbonylContact O-C 3.56Å; V435-V539 WeakPolarHBondContact O-CA 3.36Å; V435-A540 PolarHBondContact N-O 3.08Å; V435-A540 PolarHBondContact O-N 2.88Å; V435-I542 HydrophobicContact CB-CD1 4.38Å; V435-I542 HydrophobicContact CG2-CD1 3.76Å; V435-I542 HydrophobicContact CG2-CG1 3.78Å; V435-V547 HydrophobicContact CG1-CG2 4.08Å; V435-V547 HydrophobicContact CG2-CG2 4.06Å; V435-Y567 HydrophobicContact CG1-CD1 4.2Å; V435-Y567 HydrophobicContact CG1-CG 4.36Å; V435-Q568 WeakPolarHBondContact CA-O 3.33Å; V435-L569 HydrophobicContact CG2-CD2 3.84Å
436	V	98.6	Very high	92.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	160.5	174.5	-57.3	0	0	0	0	110	V442 V539 Y567 Q568 I570	V436-V442 HydrophobicContact CB-CB 4.41Å; V436-V442 HydrophobicContact CG1-CB 4.08Å; V436-V442 HydrophobicContact CG1-CG1 3.86Å; V436-V539 HydrophobicContact CG1-CB 4.03Å; V436-V539 HydrophobicContact CG1-CG2 3.98Å; V436-Y567 WeakPolarHBondContact O-CA 3.33Å; V436-Q568 HydrophobicContact CG2-CG 3.47Å; V436-Q568 VanDerWaalsContact CG2-CG 3.47Å; V436-Q568 PolarHBondContact N-O 2.63Å; V436-Q568 PolarHBondContact O-N 2.79Å; V436-I570 HydrophobicContact CG1-CD1 3.78Å; V436-I570 HydrophobicContact CG1-CG1 4.16Å; V436-I570 HydrophobicContact CG1-CG2 4.14Å; V436-I570 HydrophobicContact CG2-CG2 3.77Å
437	K	98.3	Very high	93.7	Very high	74 Å²	74	37.5 Å²	37.5	32%	0.322	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	137.8	168.4	-70.6	-177.5	177.8	175.7	0	109.9	S440 L532 V533 Y567	K437-S440 WeakPolarHBondContact O-CB 3.38Å; K437-S440 PolarHBondContact O-N 3.02Å; K437-S440 PolarHBondContact O-OG 3.47Å; K437-L532 WeakPolarHBondContact CE-O 3.27Å; K437-L532 HydrophobicContact CG-CD1 4.28Å; K437-L532 HydrophobicContact CG-CG 4.49Å; K437-L532 PolarHBondContact NZ-O 3.24Å; K437-V533 PolarHBondContact NZ-O 3.08Å; K437-Y567 HydrophobicContact CG-CD1 4.18Å; K437-Y567 HydrophobicContact CG-CE1 3.81Å
438	K	96.4	Very high	95	Very high	118 Å²	118	42.8 Å²	42.8	51%	0.513	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	143.1	174.3	-167.6	169.3	-176.7	173.5	0	109.9	S440 A565 D566	K438-S440 PolarHBondContact O-N 3.24Å; K438-S440 VanDerWaalsContact O-N 3.11Å; K438-A565 WeakPolarHBondContact CD-O 3.02Å; K438-D566 VanDerWaalsContact CB-O 3.31Å; K438-D566 WeakPolarHBondContact CB-O 3.22Å; K438-D566 PolarHBondContact N-O 3.34Å
439	S	92.6	Very high	95.7	Very high	118 Å²	118	44.5 Å²	44.5	83%	0.825	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	10.6	-177.4	-49.6	0	0	0	0	115.9	G441	S439-G441 PolarHBondContact O-N 3.41Å
440	S	95.8	Very high	96.2	Very high	55 Å²	55	45 Å²	45	39%	0.385	27%	0.269	S	S	.	.	S	Bend	trans	-68.4	-17	173.3	60.6	0	0	0	0	113.9	K437 K438 V442	K437-S440 WeakPolarHBondContact O-CB 3.38Å; K437-S440 PolarHBondContact O-N 3.02Å; K437-S440 PolarHBondContact O-OG 3.47Å; K438-S440 PolarHBondContact O-N 3.24Å; K438-S440 VanDerWaalsContact O-N 3.11Å; S440-V442 PolarHBondContact O-N 2.83Å; S440-V442 PolarHBondContact OG-N 3.38Å
441	G	95.5	Very high	96.6	Very high	49 Å²	49	47.6 Å²	47.6	51%	0.505	28%	0.281	S	S	.	.			trans	71.5	5.1	-172.6	0	0	0	0	0	114.1	S439 N446	S439-G441 PolarHBondContact O-N 3.41Å; G441-N446 PolarHBondContact O-ND2 2.93Å
442	V	97.3	Very high	96.8	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.018	27%	0.27	C	S	.	.			trans	-78.3	132.8	175.9	-176.3	0	0	0	0	109.6	V436 S440 L447 K450 D538 I570	V436-V442 HydrophobicContact CB-CB 4.41Å; V436-V442 HydrophobicContact CG1-CB 4.08Å; V436-V442 HydrophobicContact CG1-CG1 3.86Å; S440-V442 PolarHBondContact O-N 2.83Å; S440-V442 PolarHBondContact OG-N 3.38Å; V442-L447 HydrophobicContact CG1-CD1 4.15Å; V442-K450 HydrophobicContact CG1-CG 4.46Å; V442-K450 HydrophobicContact CG2-CD 4.35Å; V442-D538 HydrophobicContact CG2-CB 4.33Å; V442-I570 HydrophobicContact CG1-CD1 4.32Å
443	T	97.2	Very high	97	Very high	36 Å²	36	44.9 Å²	44.9	22%	0.221	27%	0.27	C	S	.	.			trans	-136.7	168.3	179.4	64.5	0	0	0	0	108.3	A445 N446 L447 P576	T443-A445 PolarHBondContact O-N 3.25Å; T443-A445 PolarHBondContact OG1-N 3.32Å; T443-N446 PolarHBondContact N-OD1 2.92Å; T443-N446 PolarHBondContact O-N 2.61Å; T443-N446 PolarHBondContact O-OD1 3.25Å; T443-N446 VanDerWaalsContact O-OD1 3.06Å; T443-N446 VanDerWaalsContact OG1-CG 3.29Å; T443-N446 PolarHBondContact OG1-N 3.4Å; T443-N446 PolarHBondContact OG1-OD1 3.13Å; T443-L447 PolarHBondContact O-N 3.44Å; T443-P576 HydrophobicContact CG2-CG 4.17Å
444	W	96.1	Very high	97	Very high	13 Å²	13	44.8 Å²	44.8	5%	0.049	27%	0.27	C	S	.	.	S	Bend	trans	-60.6	-35.7	173.4	-168.1	-84.2	0	0	0	112.1	A434 N446 L447 H469 I470 F541 C571 P572 L587	A434-W444 HydrophobicContact CB-CZ3 4.34Å; W444-N446 PolarHBondContact O-N 3.48Å; W444-L447 HydrophobicContact CD2-CD2 4.3Å; W444-L447 HydrophobicContact CE3-CD2 4.05Å; W444-L447 HydrophobicContact CH2-CD2 4.3Å; W444-L447 HydrophobicContact CZ3-CD2 4.05Å; W444-L447 WeakPolarHBondContact O-CB 3.46Å; W444-L447 PolarHBondContact O-N 2.83Å; W444-H469 HydrophobicContact CH2-CB 3.93Å; W444-H469 HydrophobicContact CZ2-CB 3.59Å; W444-I470 HydrophobicContact CZ2-CG1 4.42Å; W444-F541 HydrophobicContact CZ3-CE1 4.13Å; W444-C571 WeakPolarHBondContact CB-O 3.48Å; W444-P572 HydrophobicContact CD2-CG 3.83Å; W444-P572 HydrophobicContact CE3-CG 4.37Å; W444-P572 HydrophobicContact CG-CB 4.28Å; W444-P572 HydrophobicContact CG-CG 4.1Å; W444-P572 HydrophobicContact CZ2-CG 4.25Å; W444-L587 HydrophobicContact CE3-CD2 3.99Å; W444-L587 HydrophobicContact CH2-CD1 4.3Å; W444-L587 HydrophobicContact CH2-CD2 3.92Å; W444-L587 HydrophobicContact CZ3-CD1 4.04Å; W444-L587 HydrophobicContact CZ3-CD2 3.43Å; W444-L587 VanDerWaalsContact CZ3-CD2 3.43Å; W444-L587 HydrophobicContact CZ3-CG 4.39Å
445	A	95.1	Very high	96.8	Very high	100 Å²	100	44.8 Å²	44.8	83%	0.826	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-27.1	-176.5	0	0	0	0	0	114.1	T443	T443-A445 PolarHBondContact O-N 3.25Å; T443-A445 PolarHBondContact OG1-N 3.32Å
446	N	95.9	Very high	96.5	Very high	67 Å²	67	44.8 Å²	44.8	36%	0.358	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	23.9	179.4	72.5	0.2	0	0	0	113	G441 T443 W444 Q448 K450	G441-N446 PolarHBondContact O-ND2 2.93Å; T443-N446 PolarHBondContact N-OD1 2.92Å; T443-N446 PolarHBondContact O-N 2.61Å; T443-N446 PolarHBondContact O-OD1 3.25Å; T443-N446 VanDerWaalsContact O-OD1 3.06Å; T443-N446 VanDerWaalsContact OG1-CG 3.29Å; T443-N446 PolarHBondContact OG1-N 3.4Å; T443-N446 PolarHBondContact OG1-OD1 3.13Å; W444-N446 PolarHBondContact O-N 3.48Å; N446-Q448 VanDerWaalsContact C-N 3.32Å; N446-K450 WeakPolarHBondContact O-CE 3.43Å
447	L	96.2	Very high	96.2	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.287	C	S	.	.			trans	-69.5	-28.6	-177.7	-168.5	63.6	0	0	0	113	V442 T443 W444 G449 K450 F482 F483 V539 F541 I570	V442-L447 HydrophobicContact CG1-CD1 4.15Å; T443-L447 PolarHBondContact O-N 3.44Å; W444-L447 HydrophobicContact CD2-CD2 4.3Å; W444-L447 HydrophobicContact CE3-CD2 4.05Å; W444-L447 HydrophobicContact CH2-CD2 4.3Å; W444-L447 HydrophobicContact CZ3-CD2 4.05Å; W444-L447 WeakPolarHBondContact O-CB 3.46Å; W444-L447 PolarHBondContact O-N 2.83Å; L447-G449 PolarHBondContact O-N 2.72Å; L447-K450 VanDerWaalsContact O-CB 3.28Å; L447-K450 WeakPolarHBondContact O-CB 3.41Å; L447-K450 VanDerWaalsContact O-CG 3.29Å; L447-K450 WeakPolarHBondContact O-CG 3.27Å; L447-K450 PolarHBondContact O-N 3.36Å; L447-F482 HydrophobicContact CB-CE1 4.37Å; L447-F482 HydrophobicContact CB-CZ 4.43Å; L447-F482 HydrophobicContact CD2-CE1 4.25Å; L447-F482 HydrophobicContact CG-CE1 4.14Å; L447-F483 HydrophobicContact CD1-CE1 4.38Å; L447-F483 HydrophobicContact CD2-CE1 4.43Å; L447-F483 HydrophobicContact CD2-CZ 4.46Å; L447-F483 HydrophobicContact CG-CE1 4Å; L447-V539 HydrophobicContact CD1-CB 4.11Å; L447-V539 HydrophobicContact CD1-CG1 3.86Å; L447-V539 HydrophobicContact CD1-CG2 4.25Å; L447-F541 HydrophobicContact CD2-CZ 4.19Å; L447-I570 HydrophobicContact CD1-CD1 3.95Å
448	Q	96.8	Very high	95.7	Very high	132 Å²	132	46.4 Å²	46.4	62%	0.617	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	135.6	178.5	-170.6	176.1	-4.3	0	0	111	N446 K450 F482	N446-Q448 VanDerWaalsContact C-N 3.32Å; Q448-K450 VanDerWaalsContact C-N 3.28Å; Q448-K450 PolarHBondContact O-N 3.11Å; Q448-F482 HydrophobicContact CB-CD2 4.27Å; Q448-F482 HydrophobicContact CB-CE1 4.44Å; Q448-F482 HydrophobicContact CB-CE2 3.85Å; Q448-F482 HydrophobicContact CB-CZ 3.95Å; Q448-F482 HydrophobicContact CG-CD2 3.96Å; Q448-F482 HydrophobicContact CG-CE2 4.03Å; Q448-F482 HydrophobicContact CG-CG 4.41Å; Q448-F482 WeakPolarHBondContact CG-O 3.35Å
449	G	96.6	Very high	95.3	Very high	44 Å²	44	44.4 Å²	44.4	45%	0.454	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	5.3	-178.5	0	0	0	0	0	114.8	L447 F482 S484	L447-G449 PolarHBondContact O-N 2.72Å; G449-F482 PolarHBondContact N-O 2.82Å; G449-S484 WeakPolarHBondContact O-CB 3.29Å; G449-S484 PolarHBondContact O-OG 3.47Å
450	K	97.8	Very high	95.3	Very high	65 Å²	65	39.1 Å²	39.1	28%	0.283	24%	0.243	S	C	.	.	S	Bend	trans	-83.8	168.4	172.4	-59.8	-60.1	-179.9	-180	0	111.8	V442 N446 L447 Q448 F483 S484 D538	V442-K450 HydrophobicContact CG1-CG 4.46Å; V442-K450 HydrophobicContact CG2-CD 4.35Å; N446-K450 WeakPolarHBondContact O-CE 3.43Å; L447-K450 VanDerWaalsContact O-CB 3.28Å; L447-K450 WeakPolarHBondContact O-CB 3.41Å; L447-K450 VanDerWaalsContact O-CG 3.29Å; L447-K450 WeakPolarHBondContact O-CG 3.27Å; L447-K450 PolarHBondContact O-N 3.36Å; Q448-K450 VanDerWaalsContact C-N 3.28Å; Q448-K450 PolarHBondContact O-N 3.11Å; K450-F483 WeakPolarHBondContact O-CA 3.15Å; K450-F483 WeakPolarHBondContact O-CB 3.3Å; K450-F483 WeakPolarHBondContact O-CD1 3.3Å; K450-S484 PolarHBondContact O-N 2.95Å; K450-S484 PolarHBondContact O-OG 2.91Å; K450-D538 HydrophobicContact CB-CB 4.09Å
451	K	98.3	Very high	95.1	Very high	66 Å²	66	36.5 Å²	36.5	29%	0.287	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	135.2	171.7	-58.3	-169	-121.5	167.1	0	111.4	S485 E500 A536 D538 V539	K451-S485 VanDerWaalsContact CA-O 3.23Å; K451-S485 WeakPolarHBondContact CA-O 3.4Å; K451-S485 WeakPolarHBondContact CG-OG 3.23Å; K451-E500 HydrophobicContact CD-CG 4.23Å; K451-A536 WeakPolarHBondContact CD-O 3.29Å; K451-D538 PolarHBondContact N-OD2 3.15Å; K451-D538 PolarHBondContact O-N 2.81Å; K451-V539 PolarHBondContact O-N 3.02Å
452	S	98.3	Very high	95.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.1	-174.4	60.9	0	0	0	0	114.2	H454 F483 S485 G486 C487	S452-H454 WeakPolarHBondContact CB-NE2 3.06Å; S452-H454 PolarHBondContact OG-CD2 3.2Å; S452-H454 PolarHBondContact OG-NE2 3.13Å; S452-F483 WeakPolarHBondContact OG-CG 3.35Å; S452-S485 PolarHBondContact N-O 2.88Å; S452-S485 VanDerWaalsContact N-O 3.15Å; S452-G486 CarbonylContact O-C 3.45Å; S452-G486 WeakPolarHBondContact O-CA 3.4Å; S452-C487 PolarHBondContact O-N 3.25Å
453	C	98.6	Very high	94.9	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125	174.2	-56.4	0	0	0	0	109.8	A528 C531 L532 G537 V539 A540 F541	C453-A528 HydrophobicContact CB-CB 4.47Å; C453-A528 VanDerWaalsContact CB-O 3.24Å; C453-A528 WeakPolarHBondContact CB-O 3.46Å; C453-C531 HydrophobicContact CB-CB 3.59Å; C453-C531 WeakPolarHBondContact CB-SG 3.28Å; C453-C531 WeakPolarHBondContact SG-CB 3.35Å; C453-C531 CovalentContact SG-SG 2.03Å; C453-C531 PolarHBondContact SG-SG 3.04Å; C453-L532 PolarHBondContact SG-N 3.48Å; C453-L532 VanDerWaalsContact SG-N 3.43Å; C453-G537 VanDerWaalsContact SG-CA 3.54Å; C453-V539 PolarHBondContact N-O 2.87Å; C453-A540 HydrophobicContact CB-CB 4.1Å; C453-A540 WeakPolarHBondContact O-CA 3.41Å; C453-F541 PolarHBondContact O-N 3.16Å
454	H	98.3	Very high	94.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	149.4	-175.7	-55.7	-89.2	0	0	0	110.7	S452 G456 G462 W463 M467 C487 A488 P489 F497 F541	S452-H454 WeakPolarHBondContact CB-NE2 3.06Å; S452-H454 PolarHBondContact OG-CD2 3.2Å; S452-H454 PolarHBondContact OG-NE2 3.13Å; H454-G456 PolarHBondContact O-N 2.74Å; H454-G462 WeakPolarHBondContact CB-O 3.43Å; H454-G462 PolarHBondContact ND1-O 3.41Å; H454-W463 HydrophobicContact CB-CE3 4.39Å; H454-W463 AromaticContact ND1-CE3 3.92Å; H454-M467 WeakPolarHBondContact CE1-CE 3.44Å; H454-C487 PolarHBondContact N-O 2.82Å; H454-A488 HydrophobicContact CB-CB 3.81Å; H454-P489 WeakPolarHBondContact O-CD 3.25Å; H454-F497 AromaticContact NE2-CE1 3.81Å; H454-F541 AromaticContact CE1-CD2 3.38Å; H454-F541 WeakPolarHBondContact CE1-CD2 3.4Å; H454-F541 AromaticContact CE1-CE2 3.54Å; H454-F541 AromaticContact ND1-CD2 3.47Å; H454-F541 WeakPolarHBondContact ND1-CD2 3.33Å
455	T	94.5	Very high	94.8	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-70.7	-17.1	179	63.2	0	0	0	0	113.7	R459 G462 Y523 G524 Y525 A528 F541 I542	T455-R459 WeakPolarHBondContact O-CD 3.47Å; T455-R459 WeakPolarHBondContact OG1-CB 3.38Å; T455-R459 WeakPolarHBondContact OG1-CD 3.46Å; T455-G462 WeakPolarHBondContact OG1-CA 3.38Å; T455-Y523 WeakPolarHBondContact O-CD2 3.26Å; T455-Y523 VanDerWaalsContact O-CE2 3.3Å; T455-Y523 WeakPolarHBondContact O-CE2 3.41Å; T455-G524 WeakPolarHBondContact O-CA 3.08Å; T455-G524 PolarHBondContact O-N 3.06Å; T455-Y525 HydrophobicContact CG2-CD1 3.48Å; T455-Y525 VanDerWaalsContact CG2-CD1 3.48Å; T455-Y525 HydrophobicContact CG2-CE1 3.74Å; T455-Y525 HydrophobicContact CG2-CG 4.14Å; T455-A528 HydrophobicContact CG2-CB 3.99Å; T455-F541 WeakPolarHBondContact CG2-O 3.2Å; T455-I542 HydrophobicContact CG2-CG2 4.13Å
456	G	92.9	Very high	94.8	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.01	15%	0.153	C	C	.	.			trans	146.5	153.3	179.7	0	0	0	0	0	111.6	H454 R459 W463 P489	H454-G456 PolarHBondContact O-N 2.74Å; G456-R459 WeakPolarHBondContact O-CB 3.35Å; G456-R459 PolarHBondContact O-N 3.02Å; G456-W463 WeakPolarHBondContact O-CB 3.48Å; G456-P489 CarbonylContact C-O 3.38Å; G456-P489 WeakPolarHBondContact CA-O 3.41Å
457	I	91.1	Very high	94.8	Very high	67 Å²	67	25.1 Å²	25.1	34%	0.344	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	138	175.4	-62.4	-63	0	0	0	110.3	R459 W463 A488 P489 A491	I457-R459 PolarHBondContact O-N 2.94Å; I457-W463 HydrophobicContact CD1-CD2 3.75Å; I457-W463 HydrophobicContact CD1-CE3 3.56Å; I457-W463 HydrophobicContact CD1-CH2 3.2Å; I457-W463 HydrophobicContact CD1-CZ2 3.41Å; I457-W463 VanDerWaalsContact CD1-CZ2 3.41Å; I457-W463 HydrophobicContact CD1-CZ3 3.28Å; I457-A488 HydrophobicContact CD1-CB 3.77Å; I457-A488 HydrophobicContact CG1-CB 4.36Å; I457-P489 PolarHBondContact N-O 3.37Å; I457-A491 HydrophobicContact CD1-CB 4.11Å; I457-A491 HydrophobicContact CG1-CB 4.02Å
458	G	88	Confident	94.9	Very high	41 Å²	41	25.1 Å²	25.1	42%	0.423	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	-3.2	176.3	0	0	0	0	0	115.5	W463 N464	G458-W463 VanDerWaalsContact N-CD1 3.3Å; G458-N464 VanDerWaalsContact C-OD1 3.23Å; G458-N464 VanDerWaalsContact CA-OD1 3.3Å; G458-N464 WeakPolarHBondContact CA-OD1 3.4Å; G458-N464 PolarHBondContact O-ND2 2.93Å; G458-N464 PolarHBondContact O-OD1 3.39Å
459	R	89.3	Confident	94.8	Very high	76 Å²	76	21 Å²	21	29%	0.287	12%	0.117	S	C	.	.			trans	-79.1	141.4	179.2	-62.2	-171.9	71.2	152.9	8	111.7	T455 G456 I457 W463 N464	T455-R459 WeakPolarHBondContact O-CD 3.47Å; T455-R459 WeakPolarHBondContact OG1-CB 3.38Å; T455-R459 WeakPolarHBondContact OG1-CD 3.46Å; G456-R459 WeakPolarHBondContact O-CB 3.35Å; G456-R459 PolarHBondContact O-N 3.02Å; I457-R459 PolarHBondContact O-N 2.94Å; R459-W463 CarbonylContact O-C 3.21Å; R459-W463 WeakPolarHBondContact O-CA 3.45Å; R459-W463 WeakPolarHBondContact O-CB 3.49Å; R459-W463 PolarHBondContact O-N 3.16Å; R459-N464 PolarHBondContact O-N 3.26Å
460	T	91.1	Very high	94.8	Very high	6 Å²	6	18.9 Å²	18.9	4%	0.037	10%	0.095	C	C	.	.	I	π-helix	trans	-44.7	-74.9	-177.2	-52.6	0	0	0	0	114.5	D395 G397 Y430 N464 I465 V590 Y662	D395-T460 PolarHBondContact OD2-OG1 3.12Å; G397-T460 VanDerWaalsContact CA-OG1 3.26Å; G397-T460 WeakPolarHBondContact CA-OG1 3.47Å; G397-T460 PolarHBondContact N-OG1 3.14Å; Y430-T460 WeakPolarHBondContact OH-CG2 3.33Å; T460-N464 PolarHBondContact O-N 3.12Å; T460-I465 HydrophobicContact CG2-CD1 3.83Å; T460-I465 WeakPolarHBondContact O-CG1 3.49Å; T460-I465 PolarHBondContact O-N 3.34Å; T460-V590 HydrophobicContact CG2-CB 4.37Å; T460-V590 HydrophobicContact CG2-CG1 3.72Å; T460-V590 HydrophobicContact CG2-CG2 3.8Å; T460-Y662 HydrophobicContact CG2-CD2 4.4Å; T460-Y662 HydrophobicContact CG2-CE2 3.47Å; T460-Y662 VanDerWaalsContact CG2-CE2 3.47Å
461	A	92.7	Very high	94.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.087	C	C	.	.	I	π-helix	trans	-75.7	-32.2	-175.3	0	0	0	0	0	113.7	Y430 A432 P466 Y525	Y430-A461 HydrophobicContact CE2-CB 4.12Å; A432-A461 HydrophobicContact CB-CB 3.57Å; A461-P466 WeakPolarHBondContact O-CD 3.33Å; A461-Y525 HydrophobicContact CB-CE1 4.07Å
462	G	94.3	Very high	94.6	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.089	C	C	.	.	I	π-helix	trans	-83.9	-19.6	-174.8	0	0	0	0	0	114.6	H454 T455 F541	H454-G462 WeakPolarHBondContact CB-O 3.43Å; H454-G462 PolarHBondContact ND1-O 3.41Å; T455-G462 WeakPolarHBondContact OG1-CA 3.38Å; G462-F541 WeakPolarHBondContact CA-O 3.45Å
463	W	94.8	Very high	94.3	Very high	21 Å²	21	21 Å²	21	8%	0.08	11%	0.113	C	C	.	.	I	π-helix	trans	-138.8	-61	-174.5	-171.7	-94.4	0	0	0	112.5	H454 G456 I457 G458 R459 I465 P466 M467 A488 F497	H454-W463 HydrophobicContact CB-CE3 4.39Å; H454-W463 AromaticContact ND1-CE3 3.92Å; G456-W463 WeakPolarHBondContact O-CB 3.48Å; I457-W463 HydrophobicContact CD1-CD2 3.75Å; I457-W463 HydrophobicContact CD1-CE3 3.56Å; I457-W463 HydrophobicContact CD1-CH2 3.2Å; I457-W463 HydrophobicContact CD1-CZ2 3.41Å; I457-W463 VanDerWaalsContact CD1-CZ2 3.41Å; I457-W463 HydrophobicContact CD1-CZ3 3.28Å; G458-W463 VanDerWaalsContact N-CD1 3.3Å; R459-W463 CarbonylContact O-C 3.21Å; R459-W463 WeakPolarHBondContact O-CA 3.45Å; R459-W463 WeakPolarHBondContact O-CB 3.49Å; R459-W463 PolarHBondContact O-N 3.16Å; W463-I465 PolarHBondContact O-N 3.3Å; W463-P466 VanDerWaalsContact O-CD 3.26Å; W463-P466 WeakPolarHBondContact O-CD 3.32Å; W463-P466 VanDerWaalsContact O-CG 3.32Å; W463-P466 WeakPolarHBondContact O-CG 3.34Å; W463-M467 HydrophobicContact CD2-CE 4.15Å; W463-M467 HydrophobicContact CD2-CG 3.94Å; W463-M467 HydrophobicContact CE3-CE 3.66Å; W463-M467 HydrophobicContact CE3-CG 4.39Å; W463-M467 HydrophobicContact CG-CG 4.23Å; W463-M467 HydrophobicContact CH2-CE 3.9Å; W463-M467 HydrophobicContact CZ2-CE 4.35Å; W463-M467 HydrophobicContact CZ2-CG 4.23Å; W463-M467 HydrophobicContact CZ3-CE 3.53Å; W463-M467 VanDerWaalsContact O-CB 3.27Å; W463-M467 WeakPolarHBondContact O-CB 3.27Å; W463-M467 WeakPolarHBondContact O-CG 3.31Å; W463-M467 PolarHBondContact O-N 3.5Å; W463-A488 HydrophobicContact CE3-CB 3.97Å; W463-A488 HydrophobicContact CZ3-CB 3.54Å; W463-F497 HydrophobicContact CH2-CD1 4.41Å; W463-F497 AromaticContact CH2-CD2 3.9Å; W463-F497 HydrophobicContact CH2-CD2 3.9Å; W463-F497 HydrophobicContact CH2-CE1 4.16Å; W463-F497 AromaticContact CH2-CE2 3.61Å; W463-F497 HydrophobicContact CH2-CE2 3.61Å; W463-F497 HydrophobicContact CH2-CG 4.29Å; W463-F497 AromaticContact CH2-CZ 3.75Å; W463-F497 HydrophobicContact CH2-CZ 3.75Å; W463-F497 HydrophobicContact CZ3-CD1 4.12Å; W463-F497 HydrophobicContact CZ3-CD2 4.39Å; W463-F497 AromaticContact CZ3-CE1 3.98Å; W463-F497 HydrophobicContact CZ3-CE1 3.98Å; W463-F497 HydrophobicContact CZ3-CE2 4.25Å; W463-F497 HydrophobicContact CZ3-CG 4.33Å; W463-F497 HydrophobicContact CZ3-CZ 4.05Å
464	N	93.9	Very high	94.1	Very high	8 Å²	8	23.4 Å²	23.4	4%	0.043	13%	0.128	C	C	.	.	I	π-helix	trans	-63.2	-48.1	-166.7	-64	-7.8	0	0	0	112.7	G458 R459 T460 G468 M666 L669	G458-N464 VanDerWaalsContact C-OD1 3.23Å; G458-N464 VanDerWaalsContact CA-OD1 3.3Å; G458-N464 WeakPolarHBondContact CA-OD1 3.4Å; G458-N464 PolarHBondContact O-ND2 2.93Å; G458-N464 PolarHBondContact O-OD1 3.39Å; R459-N464 PolarHBondContact O-N 3.26Å; T460-N464 PolarHBondContact O-N 3.12Å; N464-G468 PolarHBondContact O-N 3.35Å; N464-M666 HydrophobicContact CB-SD 3.59Å; N464-M666 VanDerWaalsContact CB-SD 3.59Å; N464-L669 HydrophobicContact CB-CD2 3.84Å
465	I	95.6	Very high	94	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.6	-56	178.8	-67.6	162.9	0	0	0	111.7	A432 T460 W463 M467 G468 H469 L587 A588 V590 Y662 A665	A432-I465 HydrophobicContact CB-CD1 3.56Å; A432-I465 HydrophobicContact CB-CG2 4.4Å; T460-I465 HydrophobicContact CG2-CD1 3.83Å; T460-I465 WeakPolarHBondContact O-CG1 3.49Å; T460-I465 PolarHBondContact O-N 3.34Å; W463-I465 PolarHBondContact O-N 3.3Å; I465-M467 PolarHBondContact O-N 2.72Å; I465-G468 PolarHBondContact O-N 2.76Å; I465-H469 PolarHBondContact O-CD2 3.26Å; I465-H469 VanDerWaalsContact O-CD2 3.24Å; I465-H469 PolarHBondContact O-N 3.34Å; I465-H469 VanDerWaalsContact O-N 3.1Å; I465-L587 HydrophobicContact CG2-CB 3.46Å; I465-L587 VanDerWaalsContact CG2-CB 3.46Å; I465-L587 HydrophobicContact CG2-CD1 4.35Å; I465-A588 HydrophobicContact CD1-CB 3.98Å; I465-A588 HydrophobicContact CG1-CB 4.31Å; I465-A588 HydrophobicContact CG2-CB 4.05Å; I465-V590 HydrophobicContact CD1-CG2 3.51Å; I465-Y662 HydrophobicContact CD1-CD2 3.94Å; I465-Y662 HydrophobicContact CD1-CE2 3.92Å; I465-Y662 HydrophobicContact CG1-CD2 4.06Å; I465-Y662 HydrophobicContact CG1-CE2 3.94Å; I465-A665 HydrophobicContact CG2-CB 4.5Å
466	P	96.6	Very high	94	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.2	-39.1	-178.5	22.5	-33	0	0	0	113	A461 W463 G468 H469 I470 F541 L587	A461-P466 WeakPolarHBondContact O-CD 3.33Å; W463-P466 VanDerWaalsContact O-CD 3.26Å; W463-P466 WeakPolarHBondContact O-CD 3.32Å; W463-P466 VanDerWaalsContact O-CG 3.32Å; W463-P466 WeakPolarHBondContact O-CG 3.34Å; P466-G468 VanDerWaalsContact C-N 3.33Å; P466-G468 PolarHBondContact O-N 2.89Å; P466-H469 PolarHBondContact O-N 2.76Å; P466-I470 VanDerWaalsContact O-CG1 3.3Å; P466-I470 WeakPolarHBondContact O-CG1 3.47Å; P466-I470 PolarHBondContact O-N 2.83Å; P466-F541 HydrophobicContact CB-CD1 3.47Å; P466-F541 VanDerWaalsContact CB-CD1 3.47Å; P466-F541 HydrophobicContact CB-CD2 4.41Å; P466-F541 HydrophobicContact CB-CE1 3.52Å; P466-F541 HydrophobicContact CB-CE2 4.44Å; P466-F541 HydrophobicContact CB-CG 3.93Å; P466-F541 HydrophobicContact CB-CZ 4.02Å; P466-F541 HydrophobicContact CG-CB 4.07Å; P466-F541 HydrophobicContact CG-CD1 3.83Å; P466-F541 HydrophobicContact CG-CD2 4.39Å; P466-F541 HydrophobicContact CG-CE1 4.34Å; P466-F541 HydrophobicContact CG-CG 3.84Å; P466-L587 HydrophobicContact CB-CD1 4.1Å
467	M	96.3	Very high	94	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-68	-33.5	177	-63.1	-53.2	162.4	0	0	112.2	H454 W463 I465 I470 Y471 F479 F483 F497 L669	H454-M467 WeakPolarHBondContact CE1-CE 3.44Å; W463-M467 HydrophobicContact CD2-CE 4.15Å; W463-M467 HydrophobicContact CD2-CG 3.94Å; W463-M467 HydrophobicContact CE3-CE 3.66Å; W463-M467 HydrophobicContact CE3-CG 4.39Å; W463-M467 HydrophobicContact CG-CG 4.23Å; W463-M467 HydrophobicContact CH2-CE 3.9Å; W463-M467 HydrophobicContact CZ2-CE 4.35Å; W463-M467 HydrophobicContact CZ2-CG 4.23Å; W463-M467 HydrophobicContact CZ3-CE 3.53Å; W463-M467 VanDerWaalsContact O-CB 3.27Å; W463-M467 WeakPolarHBondContact O-CB 3.27Å; W463-M467 WeakPolarHBondContact O-CG 3.31Å; W463-M467 PolarHBondContact O-N 3.5Å; I465-M467 PolarHBondContact O-N 2.72Å; M467-I470 PolarHBondContact O-N 3Å; M467-I470 HydrophobicContact SD-CD1 3.91Å; M467-Y471 WeakPolarHBondContact O-CB 3.47Å; M467-Y471 PolarHBondContact O-N 2.88Å; M467-F479 HydrophobicContact CB-CD1 4.23Å; M467-F479 HydrophobicContact CB-CD2 4.5Å; M467-F479 HydrophobicContact CB-CE1 3.94Å; M467-F479 HydrophobicContact CB-CE2 4.22Å; M467-F479 HydrophobicContact CB-CZ 3.93Å; M467-F479 HydrophobicContact CG-CD1 4.36Å; M467-F479 HydrophobicContact CG-CD2 4.46Å; M467-F479 HydrophobicContact CG-CG 4.33Å; M467-F479 WeakPolarHBondContact O-CE1 3.4Å; M467-F479 HydrophobicContact SD-CB 3.88Å; M467-F479 HydrophobicContact SD-CD1 3.63Å; M467-F479 HydrophobicContact SD-CD2 4.39Å; M467-F479 HydrophobicContact SD-CE1 4.27Å; M467-F479 HydrophobicContact SD-CG 3.71Å; M467-F483 HydrophobicContact CE-CD2 4.45Å; M467-F483 HydrophobicContact CE-CE2 3.84Å; M467-F483 HydrophobicContact SD-CE2 4.4Å; M467-F497 HydrophobicContact CE-CE1 4.36Å; M467-F497 HydrophobicContact CE-CZ 4.27Å; M467-L669 HydrophobicContact CB-CD1 3.62Å
468	G	96.3	Very high	94	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-45.8	170.8	0	0	0	0	0	112.7	N464 I465 P466 A472 A665 S668	N464-G468 PolarHBondContact O-N 3.35Å; I465-G468 PolarHBondContact O-N 2.76Å; P466-G468 VanDerWaalsContact C-N 3.33Å; P466-G468 PolarHBondContact O-N 2.89Å; G468-A472 WeakPolarHBondContact O-CB 3.42Å; G468-A472 PolarHBondContact O-N 3.11Å; G468-A665 VanDerWaalsContact CA-O 3.26Å; G468-A665 WeakPolarHBondContact CA-O 3.34Å; G468-S668 WeakPolarHBondContact O-CB 3.37Å
469	H	96.4	Very high	94.2	Very high	45 Å²	45	36.6 Å²	36.6	21%	0.208	18%	0.182	C	C	.	.	H	α-helix	trans	-65.5	-41.8	175.4	-78	-74.3	0	0	0	112.8	W444 I465 P466 A472 Q473 L587	W444-H469 HydrophobicContact CH2-CB 3.93Å; W444-H469 HydrophobicContact CZ2-CB 3.59Å; I465-H469 PolarHBondContact O-CD2 3.26Å; I465-H469 VanDerWaalsContact O-CD2 3.24Å; I465-H469 PolarHBondContact O-N 3.34Å; I465-H469 VanDerWaalsContact O-N 3.1Å; P466-H469 PolarHBondContact O-N 2.76Å; H469-A472 WeakPolarHBondContact O-CB 3.32Å; H469-A472 PolarHBondContact O-N 3.32Å; H469-Q473 WeakPolarHBondContact O-CG 3.45Å; H469-Q473 PolarHBondContact O-N 3.13Å; H469-L587 PolarHBondContact NE2-O 2.9Å
470	I	96.2	Very high	94.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-49.1	176.7	-70.7	163.5	0	0	0	110.1	W444 P466 M467 A472 Q473 T474 F479 F482 F483	W444-I470 HydrophobicContact CZ2-CG1 4.42Å; P466-I470 VanDerWaalsContact O-CG1 3.3Å; P466-I470 WeakPolarHBondContact O-CG1 3.47Å; P466-I470 PolarHBondContact O-N 2.83Å; M467-I470 PolarHBondContact O-N 3Å; M467-I470 HydrophobicContact SD-CD1 3.91Å; I470-A472 VanDerWaalsContact C-N 3.29Å; I470-A472 PolarHBondContact O-N 3.09Å; I470-Q473 PolarHBondContact O-N 3.34Å; I470-Q473 VanDerWaalsContact O-N 3.1Å; I470-T474 HydrophobicContact CG2-CG2 4.17Å; I470-T474 WeakPolarHBondContact O-CG2 3.29Å; I470-T474 PolarHBondContact O-N 2.91Å; I470-T474 PolarHBondContact O-OG1 3.39Å; I470-F479 HydrophobicContact CG2-CD1 4.17Å; I470-F479 HydrophobicContact CG2-CE1 4.34Å; I470-F482 HydrophobicContact CD1-CD1 3.83Å; I470-F482 HydrophobicContact CD1-CE1 3.73Å; I470-F482 HydrophobicContact CD1-CZ 4.35Å; I470-F482 HydrophobicContact CG1-CD1 4.28Å; I470-F482 HydrophobicContact CG1-CE1 3.89Å; I470-F482 HydrophobicContact CG1-CE2 4.48Å; I470-F482 HydrophobicContact CG1-CZ 3.99Å; I470-F482 HydrophobicContact CG2-CB 4.35Å; I470-F482 HydrophobicContact CG2-CD1 4.11Å; I470-F482 HydrophobicContact CG2-CD2 3.58Å; I470-F482 HydrophobicContact CG2-CE1 4.3Å; I470-F482 HydrophobicContact CG2-CE2 3.79Å; I470-F482 HydrophobicContact CG2-CG 3.74Å; I470-F482 HydrophobicContact CG2-CZ 4.14Å; I470-F483 HydrophobicContact CD1-CE2 3.64Å; I470-F483 HydrophobicContact CD1-CZ 3.68Å
471	Y	96.5	Very high	94.4	Very high	30 Å²	30	39.7 Å²	39.7	12%	0.118	21%	0.207	C	C	.	.	H	α-helix	trans	-59.8	-41.3	176.5	178.9	-89.4	0	0	0	111.6	M467 Q473 T474 K475 S668 Q671 C672	M467-Y471 WeakPolarHBondContact O-CB 3.47Å; M467-Y471 PolarHBondContact O-N 2.88Å; Y471-Q473 PolarHBondContact O-N 3.01Å; Y471-Q473 VanDerWaalsContact O-N 3.12Å; Y471-T474 PolarHBondContact O-N 2.9Å; Y471-K475 HydrophobicContact CE1-CD 4.05Å; Y471-K475 WeakPolarHBondContact O-CA 3.44Å; Y471-K475 PolarHBondContact O-N 3.41Å; Y471-S668 WeakPolarHBondContact CD1-O 3.4Å; Y471-S668 WeakPolarHBondContact CE1-O 3.36Å; Y471-Q671 HydrophobicContact CD1-CB 4.3Å; Y471-Q671 HydrophobicContact CD1-CG 4.4Å; Y471-Q671 HydrophobicContact CE1-CB 3.44Å; Y471-Q671 VanDerWaalsContact CE1-CB 3.44Å; Y471-Q671 HydrophobicContact CE1-CG 3.52Å; Y471-Q671 HydrophobicContact CE2-CB 4.1Å; Y471-Q671 WeakPolarHBondContact OH-CB 3.03Å; Y471-C672 WeakPolarHBondContact CD2-SG 3.3Å; Y471-C672 VanDerWaalsContact CE2-SG 3.55Å
472	A	94.6	Very high	94.5	Very high	40 Å²	40	40.3 Å²	40.3	33%	0.331	21%	0.21	S	C	.	.	H	α-helix	trans	-55.6	-33.3	178.5	0	0	0	0	0	112.2	G468 H469 I470 K475	G468-A472 WeakPolarHBondContact O-CB 3.42Å; G468-A472 PolarHBondContact O-N 3.11Å; H469-A472 WeakPolarHBondContact O-CB 3.32Å; H469-A472 PolarHBondContact O-N 3.32Å; I470-A472 VanDerWaalsContact C-N 3.29Å; I470-A472 PolarHBondContact O-N 3.09Å; A472-K475 VanDerWaalsContact O-CE 3.26Å; A472-K475 WeakPolarHBondContact O-CE 3.41Å; A472-K475 PolarHBondContact O-NZ 3.1Å; A472-K475 VanDerWaalsContact O-NZ 3.12Å
473	Q	92.4	Very high	94.6	Very high	105 Å²	105	40.6 Å²	40.6	49%	0.491	21%	0.211	S	C	.	.	H	α-helix	trans	-86.1	-44.7	178.6	-65.9	176.2	-2.4	0	0	113.3	H469 I470 Y471	H469-Q473 WeakPolarHBondContact O-CG 3.45Å; H469-Q473 PolarHBondContact O-N 3.13Å; I470-Q473 PolarHBondContact O-N 3.34Å; I470-Q473 VanDerWaalsContact O-N 3.1Å; Y471-Q473 PolarHBondContact O-N 3.01Å; Y471-Q473 VanDerWaalsContact O-N 3.12Å
474	T	94.6	Very high	94.7	Very high	52 Å²	52	42.3 Å²	42.3	32%	0.319	23%	0.226	S	C	.	.	H	α-helix	trans	-94.1	-24.8	-169.8	64.5	0	0	0	0	113.9	I470 Y471 N476 F482	I470-T474 HydrophobicContact CG2-CG2 4.17Å; I470-T474 WeakPolarHBondContact O-CG2 3.29Å; I470-T474 PolarHBondContact O-N 2.91Å; I470-T474 PolarHBondContact O-OG1 3.39Å; Y471-T474 PolarHBondContact O-N 2.9Å; T474-N476 PolarHBondContact O-N 3.38Å; T474-N476 PolarHBondContact OG1-N 2.83Å; T474-F482 HydrophobicContact CG2-CD2 3.88Å; T474-F482 HydrophobicContact CG2-CE2 3.85Å
475	K	95.6	Very high	94.8	Very high	136 Å²	136	42.4 Å²	42.4	59%	0.591	23%	0.227	S	C	*	.			trans	52.9	29.8	-168.1	-51.6	-60.3	176.6	-168.4	0	113.1	Y471 A472	Y471-K475 HydrophobicContact CE1-CD 4.05Å; Y471-K475 WeakPolarHBondContact O-CA 3.44Å; Y471-K475 PolarHBondContact O-N 3.41Å; A472-K475 VanDerWaalsContact O-CE 3.26Å; A472-K475 WeakPolarHBondContact O-CE 3.41Å; A472-K475 PolarHBondContact O-NZ 3.1Å; A472-K475 VanDerWaalsContact O-NZ 3.12Å
476	N	94.3	Very high	94.9	Very high	59 Å²	59	42.4 Å²	42.4	32%	0.316	23%	0.227	S	C	.	.			trans	-119.2	127.4	-178.6	-172.7	-1.9	0	0	0	110.8	T474 Q478	T474-N476 PolarHBondContact O-N 3.38Å; T474-N476 PolarHBondContact OG1-N 2.83Å; N476-Q478 WeakPolarHBondContact OD1-CB 3.39Å; N476-Q478 PolarHBondContact OD1-N 3.09Å
477	C	93.6	Very high	95	Very high	58 Å²	58	42.4 Å²	42.4	39%	0.392	23%	0.228	S	C	.	.	S	Bend	trans	-84.1	-9.7	177.6	-64.5	0	0	0	0	114.3	F479 C672	C477-F479 VanDerWaalsContact C-N 3.28Å; C477-F479 WeakPolarHBondContact O-CD2 3.12Å; C477-F479 PolarHBondContact O-N 2.84Å; C477-C672 WeakPolarHBondContact CA-SG 3.34Å; C477-C672 HydrophobicContact CB-CB 3.66Å; C477-C672 WeakPolarHBondContact CB-SG 3.35Å; C477-C672 WeakPolarHBondContact SG-CA 3.32Å; C477-C672 WeakPolarHBondContact SG-CB 3.44Å; C477-C672 CovalentContact SG-SG 2.04Å; C477-C672 PolarHBondContact SG-SG 3.32Å
478	Q	92.1	Very high	95	Very high	120 Å²	120	42.4 Å²	42.4	56%	0.561	23%	0.228	S	C	*	.			trans	-82.5	71.1	176.1	-61.7	-174	-40.1	0	0	110.6	N476 D480 T481	N476-Q478 WeakPolarHBondContact OD1-CB 3.39Å; N476-Q478 PolarHBondContact OD1-N 3.09Å; Q478-D480 VanDerWaalsContact C-OD1 3.28Å; Q478-D480 WeakPolarHBondContact CA-OD1 3.17Å; Q478-D480 PolarHBondContact O-N 2.8Å; Q478-T481 HydrophobicContact CB-CG2 3.92Å; Q478-T481 PolarHBondContact O-N 2.73Å; Q478-T481 PolarHBondContact O-OG1 2.87Å
479	F	92.3	Very high	94.9	Very high	13 Å²	13	42.4 Å²	42.4	6%	0.057	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-61	-24.8	-178.7	-61	-61.4	0	0	0	113.4	M467 I470 C477 T481 F482 F497 L669 T675	M467-F479 HydrophobicContact CB-CD1 4.23Å; M467-F479 HydrophobicContact CB-CD2 4.5Å; M467-F479 HydrophobicContact CB-CE1 3.94Å; M467-F479 HydrophobicContact CB-CE2 4.22Å; M467-F479 HydrophobicContact CB-CZ 3.93Å; M467-F479 HydrophobicContact CG-CD1 4.36Å; M467-F479 HydrophobicContact CG-CD2 4.46Å; M467-F479 HydrophobicContact CG-CG 4.33Å; M467-F479 WeakPolarHBondContact O-CE1 3.4Å; M467-F479 HydrophobicContact SD-CB 3.88Å; M467-F479 HydrophobicContact SD-CD1 3.63Å; M467-F479 HydrophobicContact SD-CD2 4.39Å; M467-F479 HydrophobicContact SD-CE1 4.27Å; M467-F479 HydrophobicContact SD-CG 3.71Å; I470-F479 HydrophobicContact CG2-CD1 4.17Å; I470-F479 HydrophobicContact CG2-CE1 4.34Å; C477-F479 VanDerWaalsContact C-N 3.28Å; C477-F479 WeakPolarHBondContact O-CD2 3.12Å; C477-F479 PolarHBondContact O-N 2.84Å; F479-T481 PolarHBondContact O-N 3.37Å; F479-F482 WeakPolarHBondContact O-CB 3.4Å; F479-F482 PolarHBondContact O-N 3.4Å; F479-F482 VanDerWaalsContact O-N 3.1Å; F479-F497 HydrophobicContact CB-CE2 4.2Å; F479-F497 HydrophobicContact CB-CZ 4.09Å; F479-F497 WeakPolarHBondContact O-CZ 3.16Å; F479-L669 HydrophobicContact CE2-CD1 3.72Å; F479-L669 HydrophobicContact CZ-CD1 3.59Å; F479-T675 HydrophobicContact CE2-CG2 3.9Å
480	D	89.9	Confident	94.7	Very high	69 Å²	69	42.4 Å²	42.4	37%	0.369	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-68	-14.5	175	65.5	-32.5	0	0	0	113.6	Q478 P496 F497	Q478-D480 VanDerWaalsContact C-OD1 3.28Å; Q478-D480 WeakPolarHBondContact CA-OD1 3.17Å; Q478-D480 PolarHBondContact O-N 2.8Å; D480-P496 HydrophobicContact CB-CG 4.13Å; D480-F497 HydrophobicContact CB-CD2 4.24Å; D480-F497 HydrophobicContact CB-CE2 3.87Å
481	T	93	Very high	94.5	Very high	77 Å²	77	43.3 Å²	43.3	47%	0.472	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-93.1	-13.6	171.7	69.9	0	0	0	0	113.2	Q478 F479	Q478-T481 HydrophobicContact CB-CG2 3.92Å; Q478-T481 PolarHBondContact O-N 2.73Å; Q478-T481 PolarHBondContact O-OG1 2.87Å; F479-T481 PolarHBondContact O-N 3.37Å
482	F	95.6	Very high	94.2	Very high	14 Å²	14	49 Å²	49	6%	0.061	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-42.4	179.8	-174.1	-91.1	0	0	0	111.9	L447 Q448 G449 I470 T474 F479	L447-F482 HydrophobicContact CB-CE1 4.37Å; L447-F482 HydrophobicContact CB-CZ 4.43Å; L447-F482 HydrophobicContact CD2-CE1 4.25Å; L447-F482 HydrophobicContact CG-CE1 4.14Å; Q448-F482 HydrophobicContact CB-CD2 4.27Å; Q448-F482 HydrophobicContact CB-CE1 4.44Å; Q448-F482 HydrophobicContact CB-CE2 3.85Å; Q448-F482 HydrophobicContact CB-CZ 3.95Å; Q448-F482 HydrophobicContact CG-CD2 3.96Å; Q448-F482 HydrophobicContact CG-CE2 4.03Å; Q448-F482 HydrophobicContact CG-CG 4.41Å; Q448-F482 WeakPolarHBondContact CG-O 3.35Å; G449-F482 PolarHBondContact N-O 2.82Å; I470-F482 HydrophobicContact CD1-CD1 3.83Å; I470-F482 HydrophobicContact CD1-CE1 3.73Å; I470-F482 HydrophobicContact CD1-CZ 4.35Å; I470-F482 HydrophobicContact CG1-CD1 4.28Å; I470-F482 HydrophobicContact CG1-CE1 3.89Å; I470-F482 HydrophobicContact CG1-CE2 4.48Å; I470-F482 HydrophobicContact CG1-CZ 3.99Å; I470-F482 HydrophobicContact CG2-CB 4.35Å; I470-F482 HydrophobicContact CG2-CD1 4.11Å; I470-F482 HydrophobicContact CG2-CD2 3.58Å; I470-F482 HydrophobicContact CG2-CE1 4.3Å; I470-F482 HydrophobicContact CG2-CE2 3.79Å; I470-F482 HydrophobicContact CG2-CG 3.74Å; I470-F482 HydrophobicContact CG2-CZ 4.14Å; T474-F482 HydrophobicContact CG2-CD2 3.88Å; T474-F482 HydrophobicContact CG2-CE2 3.85Å; F479-F482 WeakPolarHBondContact O-CB 3.4Å; F479-F482 PolarHBondContact O-N 3.4Å; F479-F482 VanDerWaalsContact O-N 3.1Å
483	F	96.8	Very high	93.9	Very high	5 Å²	5	51.4 Å²	51.4	2%	0.022	30%	0.295	C	S	.	.	S	Bend	trans	-98.9	148.2	175	-64.2	-73.4	0	0	0	110.7	L447 K450 S452 M467 I470 F497 V539 F541	L447-F483 HydrophobicContact CD1-CE1 4.38Å; L447-F483 HydrophobicContact CD2-CE1 4.43Å; L447-F483 HydrophobicContact CD2-CZ 4.46Å; L447-F483 HydrophobicContact CG-CE1 4Å; K450-F483 WeakPolarHBondContact O-CA 3.15Å; K450-F483 WeakPolarHBondContact O-CB 3.3Å; K450-F483 WeakPolarHBondContact O-CD1 3.3Å; S452-F483 WeakPolarHBondContact OG-CG 3.35Å; M467-F483 HydrophobicContact CE-CD2 4.45Å; M467-F483 HydrophobicContact CE-CE2 3.84Å; M467-F483 HydrophobicContact SD-CE2 4.4Å; I470-F483 HydrophobicContact CD1-CE2 3.64Å; I470-F483 HydrophobicContact CD1-CZ 3.68Å; F483-F497 HydrophobicContact CB-CE1 4.43Å; F483-F497 AromaticContact CD2-CE1 3.8Å; F483-F497 HydrophobicContact CD2-CE1 3.8Å; F483-F497 HydrophobicContact CD2-CZ 4.07Å; F483-F497 HydrophobicContact CG-CE1 4.49Å; F483-V539 HydrophobicContact CE1-CG1 4.28Å; F483-F541 HydrophobicContact CE1-CE2 4.39Å; F483-F541 AromaticContact CZ-CE2 3.82Å; F483-F541 HydrophobicContact CZ-CE2 3.82Å; F483-F541 AromaticContact CZ-CZ 3.93Å; F483-F541 HydrophobicContact CZ-CZ 3.93Å
484	S	95.7	Very high	93.9	Very high	57 Å²	57	53 Å²	53	40%	0.399	31%	0.307	S	S	.	.	S	Bend	trans	-70.8	-35.8	179.2	59.8	0	0	0	0	112.7	G449 K450 R499	G449-S484 WeakPolarHBondContact O-CB 3.29Å; G449-S484 PolarHBondContact O-OG 3.47Å; K450-S484 PolarHBondContact O-N 2.95Å; K450-S484 PolarHBondContact O-OG 2.91Å; S484-R499 PolarHBondContact O-NH1 3.18Å
485	S	97.2	Very high	93.8	Very high	10 Å²	10	51.6 Å²	51.6	7%	0.07	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	171.6	176.6	54.5	0	0	0	0	108.4	K451 S452 P496 E500	K451-S485 VanDerWaalsContact CA-O 3.23Å; K451-S485 WeakPolarHBondContact CA-O 3.4Å; K451-S485 WeakPolarHBondContact CG-OG 3.23Å; S452-S485 PolarHBondContact N-O 2.88Å; S452-S485 VanDerWaalsContact N-O 3.15Å; S485-P496 CarbonylContact C-O 3.12Å; S485-P496 WeakPolarHBondContact CA-O 3.43Å; S485-E500 WeakPolarHBondContact CB-OE1 3.47Å; S485-E500 PolarHBondContact OG-OE1 3.45Å
486	G	96.9	Very high	93.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	-170.3	172.9	0	0	0	0	0	113.2	S452 P496 F497 R499 E500	S452-G486 CarbonylContact O-C 3.45Å; S452-G486 WeakPolarHBondContact O-CA 3.4Å; G486-P496 PolarHBondContact N-O 3.45Å; G486-F497 CarbonylContact C-O 3.57Å; G486-F497 CarbonylContact O-C 3.54Å; G486-R499 PolarHBondContact O-N 3.1Å; G486-E500 WeakPolarHBondContact O-CB 3.49Å; G486-E500 PolarHBondContact O-N 3.26Å
487	C	97.8	Very high	93.9	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.007	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	109	163.2	-173.5	0	0	0	0	110.4	S452 H454 F497 E500 C501 Y522	S452-C487 PolarHBondContact O-N 3.25Å; H454-C487 PolarHBondContact N-O 2.82Å; C487-F497 CarbonylContact C-O 3.47Å; C487-F497 WeakPolarHBondContact CA-O 3.39Å; C487-E500 HydrophobicContact CB-CB 4.45Å; C487-C501 WeakPolarHBondContact CA-SG 3.05Å; C487-C501 HydrophobicContact CB-CB 4.01Å; C487-C501 WeakPolarHBondContact CB-SG 3.47Å; C487-C501 WeakPolarHBondContact SG-CA 3.27Å; C487-C501 WeakPolarHBondContact SG-CB 3.39Å; C487-C501 CovalentContact SG-SG 2.05Å; C487-C501 PolarHBondContact SG-SG 3.49Å; C487-Y522 HydrophobicContact CB-CD2 4.18Å
488	A	97.4	Very high	94	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.247	C	C	.	.			trans	-126.6	91.1	167.5	0	0	0	0	0	109	H454 I457 W463 G490 A491 F497	H454-A488 HydrophobicContact CB-CB 3.81Å; I457-A488 HydrophobicContact CD1-CB 3.77Å; I457-A488 HydrophobicContact CG1-CB 4.36Å; W463-A488 HydrophobicContact CE3-CB 3.97Å; W463-A488 HydrophobicContact CZ3-CB 3.54Å; A488-G490 PolarHBondContact O-N 3.06Å; A488-A491 VanDerWaalsContact O-CB 3.31Å; A488-A491 WeakPolarHBondContact O-CB 3.38Å; A488-A491 PolarHBondContact O-N 3.27Å; A488-A491 VanDerWaalsContact O-N 3.15Å; A488-F497 HydrophobicContact CB-CB 3.88Å; A488-F497 HydrophobicContact CB-CD1 4.08Å; A488-F497 HydrophobicContact CB-CG 4.15Å; A488-F497 PolarHBondContact N-O 2.03Å
489	P	95	Very high	94.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	138.3	-177.5	-25.5	35.7	0	0	0	112.2	H454 G456 I457 C514 K515 E520 Y523	H454-P489 WeakPolarHBondContact O-CD 3.25Å; G456-P489 CarbonylContact C-O 3.38Å; G456-P489 WeakPolarHBondContact CA-O 3.41Å; I457-P489 PolarHBondContact N-O 3.37Å; P489-C514 CarbonylContact C-O 3.39Å; P489-C514 WeakPolarHBondContact CA-O 2.98Å; P489-K515 WeakPolarHBondContact CB-O 3.22Å; P489-E520 HydrophobicContact CB-CG 4.3Å; P489-E520 HydrophobicContact CG-CG 3.88Å; P489-Y523 HydrophobicContact CB-CD2 3.69Å; P489-Y523 HydrophobicContact CB-CE2 4.48Å; P489-Y523 HydrophobicContact CB-CG 4.44Å; P489-Y523 HydrophobicContact CG-CD2 4.02Å
490	G	91	Very high	94.4	Very high	44 Å²	44	44.2 Å²	44.2	45%	0.454	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.5	-5.8	-169.8	0	0	0	0	0	114.1	A488 C514	A488-G490 PolarHBondContact O-N 3.06Å; G490-C514 PolarHBondContact N-O 3.25Å
491	A	93.1	Very high	94.7	Very high	19 Å²	19	41.2 Å²	41.2	16%	0.157	24%	0.239	C	C	.	.	S	Bend	trans	-73.9	159.4	170.2	0	0	0	0	0	111.5	I457 A488 F497 C498	I457-A491 HydrophobicContact CD1-CB 4.11Å; I457-A491 HydrophobicContact CG1-CB 4.02Å; A488-A491 VanDerWaalsContact O-CB 3.31Å; A488-A491 WeakPolarHBondContact O-CB 3.38Å; A488-A491 PolarHBondContact O-N 3.27Å; A488-A491 VanDerWaalsContact O-N 3.15Å; A491-F497 HydrophobicContact CB-CB 3.92Å; A491-C498 PolarHBondContact O-SG 2.03Å; A491-C498 VanDerWaalsContact O-SG 3.37Å
492	E	90.2	Very high	94.7	Very high	149 Å²	149	41.2 Å²	41.2	70%	0.696	23%	0.233	S	C	*	.			trans	-57	139.2	172.9	-70.1	-60.4	153.1	0	0	111.3	N494 S495 C498	E492-N494 PolarHBondContact O-N 3.24Å; E492-S495 WeakPolarHBondContact O-CB 3.46Å; E492-S495 PolarHBondContact O-N 2.8Å; E492-C498 PolarHBondContact O-SG 3.43Å
493	A	88.4	Confident	94.5	Very high	91 Å²	91	40.6 Å²	40.6	75%	0.752	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.8	-170.4	0	0	0	0	0	114.2
494	N	90.7	Very high	94.1	Very high	140 Å²	140	42 Å²	42	75%	0.749	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-3.8	177.8	63.6	-4.7	0	0	0	113.9	E492	E492-N494 PolarHBondContact O-N 3.24Å
495	S	93.3	Very high	93.4	Very high	21 Å²	21	41.9 Å²	41.9	15%	0.147	25%	0.249	C	C	.	.	S	Bend	trans	-66	146.2	-179.3	-177.5	0	0	0	0	111.9	E492 F497 C498	E492-S495 WeakPolarHBondContact O-CB 3.46Å; E492-S495 PolarHBondContact O-N 2.8Å; S495-F497 PolarHBondContact O-N 2.97Å; S495-F497 VanDerWaalsContact O-N 3.08Å; S495-F497 PolarHBondContact OG-N 2.77Å; S495-C498 PolarHBondContact O-N 2.9Å
496	P	95.5	Very high	92.8	Very high	22 Å²	22	48.2 Å²	48.2	14%	0.143	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-51.1	-29.2	167.3	-27.2	36.1	0	0	0	113.6	D480 S485 G486 C498 R499	D480-P496 HydrophobicContact CB-CG 4.13Å; S485-P496 CarbonylContact C-O 3.12Å; S485-P496 WeakPolarHBondContact CA-O 3.43Å; G486-P496 PolarHBondContact N-O 3.45Å; P496-C498 PolarHBondContact O-N 2.94Å; P496-R499 PolarHBondContact O-N 3.04Å
497	F	96.1	Very high	91.6	Very high	9 Å²	9	53.3 Å²	53.3	4%	0.039	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-72.5	-6	177.1	-70.8	-63.2	0	0	0	115.1	H454 W463 M467 F479 D480 F483 G486 C487 A488 A491 S495	H454-F497 AromaticContact NE2-CE1 3.81Å; W463-F497 HydrophobicContact CH2-CD1 4.41Å; W463-F497 AromaticContact CH2-CD2 3.9Å; W463-F497 HydrophobicContact CH2-CD2 3.9Å; W463-F497 HydrophobicContact CH2-CE1 4.16Å; W463-F497 AromaticContact CH2-CE2 3.61Å; W463-F497 HydrophobicContact CH2-CE2 3.61Å; W463-F497 HydrophobicContact CH2-CG 4.29Å; W463-F497 AromaticContact CH2-CZ 3.75Å; W463-F497 HydrophobicContact CH2-CZ 3.75Å; W463-F497 HydrophobicContact CZ3-CD1 4.12Å; W463-F497 HydrophobicContact CZ3-CD2 4.39Å; W463-F497 AromaticContact CZ3-CE1 3.98Å; W463-F497 HydrophobicContact CZ3-CE1 3.98Å; W463-F497 HydrophobicContact CZ3-CE2 4.25Å; W463-F497 HydrophobicContact CZ3-CG 4.33Å; W463-F497 HydrophobicContact CZ3-CZ 4.05Å; M467-F497 HydrophobicContact CE-CE1 4.36Å; M467-F497 HydrophobicContact CE-CZ 4.27Å; F479-F497 HydrophobicContact CB-CE2 4.2Å; F479-F497 HydrophobicContact CB-CZ 4.09Å; F479-F497 WeakPolarHBondContact O-CZ 3.16Å; D480-F497 HydrophobicContact CB-CD2 4.24Å; D480-F497 HydrophobicContact CB-CE2 3.87Å; F483-F497 HydrophobicContact CB-CE1 4.43Å; F483-F497 AromaticContact CD2-CE1 3.8Å; F483-F497 HydrophobicContact CD2-CE1 3.8Å; F483-F497 HydrophobicContact CD2-CZ 4.07Å; F483-F497 HydrophobicContact CG-CE1 4.49Å; G486-F497 CarbonylContact C-O 3.57Å; G486-F497 CarbonylContact O-C 3.54Å; C487-F497 CarbonylContact C-O 3.47Å; C487-F497 WeakPolarHBondContact CA-O 3.39Å; A488-F497 HydrophobicContact CB-CB 3.88Å; A488-F497 HydrophobicContact CB-CD1 4.08Å; A488-F497 HydrophobicContact CB-CG 4.15Å; A488-F497 PolarHBondContact N-O 2.03Å; A491-F497 HydrophobicContact CB-CB 3.92Å; S495-F497 PolarHBondContact O-N 2.97Å; S495-F497 VanDerWaalsContact O-N 3.08Å; S495-F497 PolarHBondContact OG-N 2.77Å
498	C	95.6	Very high	90.4	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.034	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-105.2	-4.6	174.6	-70.6	0	0	0	0	113.7	A491 E492 S495 P496 E500 C501 K513 C514	A491-C498 PolarHBondContact O-SG 2.03Å; A491-C498 VanDerWaalsContact O-SG 3.37Å; E492-C498 PolarHBondContact O-SG 3.43Å; S495-C498 PolarHBondContact O-N 2.9Å; P496-C498 PolarHBondContact O-N 2.94Å; C498-E500 PolarHBondContact O-N 3.47Å; C498-C501 PolarHBondContact O-N 2.9Å; C498-K513 WeakPolarHBondContact O-CE 3.42Å; C498-C514 WeakPolarHBondContact CA-SG 3.12Å; C498-C514 HydrophobicContact CB-CB 3.58Å; C498-C514 WeakPolarHBondContact CB-SG 3.5Å; C498-C514 WeakPolarHBondContact SG-CB 3.44Å; C498-C514 CovalentContact SG-SG 2.03Å; C498-C514 PolarHBondContact SG-SG 2.85Å
499	R	95.6	Very high	89.1	Confident	145 Å²	145	62.6 Å²	62.6	55%	0.547	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-45.5	-172.1	-70.2	179.3	-177.9	164.9	2.2	112.3	S484 G486 P496 C501 K513	S484-R499 PolarHBondContact O-NH1 3.18Å; G486-R499 PolarHBondContact O-N 3.1Å; P496-R499 PolarHBondContact O-N 3.04Å; R499-C501 VanDerWaalsContact C-N 3.35Å; R499-K513 PolarHBondContact O-NZ 3.48Å
500	E	96.9	Very high	88.5	Confident	51 Å²	51	64.3 Å²	64.3	24%	0.238	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-2.9	-176.1	-48.9	-60.4	151.1	0	0	112.7	K451 S485 G486 C487 C498 Y522 A536	K451-E500 HydrophobicContact CD-CG 4.23Å; S485-E500 WeakPolarHBondContact CB-OE1 3.47Å; S485-E500 PolarHBondContact OG-OE1 3.45Å; G486-E500 WeakPolarHBondContact O-CB 3.49Å; G486-E500 PolarHBondContact O-N 3.26Å; C487-E500 HydrophobicContact CB-CB 4.45Å; C498-E500 PolarHBondContact O-N 3.47Å; E500-Y522 WeakPolarHBondContact O-CD2 3.32Å; E500-Y522 WeakPolarHBondContact O-CE2 3.4Å; E500-A536 HydrophobicContact CB-CB 4.27Å; E500-A536 WeakPolarHBondContact CG-O 3.41Å
501	C	96	Very high	88.2	Confident	6 Å²	6	69.3 Å²	69.3	4%	0.041	41%	0.406	C	S	.	.			trans	-66.6	150	175.9	-69.4	0	0	0	0	112.1	C487 C498 R499 K513 C514 E520	C487-C501 WeakPolarHBondContact CA-SG 3.05Å; C487-C501 HydrophobicContact CB-CB 4.01Å; C487-C501 WeakPolarHBondContact CB-SG 3.47Å; C487-C501 WeakPolarHBondContact SG-CA 3.27Å; C487-C501 WeakPolarHBondContact SG-CB 3.39Å; C487-C501 CovalentContact SG-SG 2.05Å; C487-C501 PolarHBondContact SG-SG 3.49Å; C498-C501 PolarHBondContact O-N 2.9Å; R499-C501 VanDerWaalsContact C-N 3.35Å; C501-K513 HydrophobicContact CB-CG 4.15Å; C501-K513 WeakPolarHBondContact O-CE 3.46Å; C501-K513 PolarHBondContact O-NZ 2.85Å; C501-C514 HydrophobicContact CB-CB 4.18Å; C501-C514 VanDerWaalsContact SG-SG 3.65Å; C501-E520 WeakPolarHBondContact CB-OE2 3.01Å
502	K	94.1	Very high	88	Confident	77 Å²	77	68.5 Å²	68.5	34%	0.335	40%	0.4	S	S	.	.			trans	-105	-21.2	-166.6	-167.4	167	-176.7	179	0	113.7	E520 Q521 Y522 E534	K502-E520 PolarHBondContact N-OE1 3.5Å; K502-E520 PolarHBondContact N-OE2 2.96Å; K502-Q521 HydrophobicContact CB-CB 4.38Å; K502-Q521 HydrophobicContact CD-CB 4.37Å; K502-Y522 HydrophobicContact CB-CD1 4.33Å; K502-Y522 HydrophobicContact CB-CD2 4.01Å; K502-Y522 HydrophobicContact CB-CE1 4.24Å; K502-Y522 HydrophobicContact CB-CE2 3.94Å; K502-Y522 HydrophobicContact CB-CG 4.2Å; K502-Y522 HydrophobicContact CD-CE1 3.81Å; K502-E534 IonicContact NZ-OE1 3.92Å; K502-E534 PolarHBondContact NZ-OE1 3.49Å; K502-E534 IonicContact NZ-OE2 2.88Å; K502-E534 PolarHBondContact NZ-OE2 3.34Å
503	G	91.8	Very high	88.1	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	-157.8	-172.4	0	0	0	0	0	112.5	G505 E519 E520 Q521	G503-G505 VanDerWaalsContact C-N 3.27Å; G503-E519 CarbonylContact C-O 3.14Å; G503-E520 VanDerWaalsContact CA-OE2 3.3Å; G503-E520 WeakPolarHBondContact CA-OE2 3.34Å; G503-E520 VanDerWaalsContact N-CD 3.26Å; G503-E520 PolarHBondContact N-OE1 3.45Å; G503-E520 VanDerWaalsContact N-OE1 3.13Å; G503-E520 PolarHBondContact N-OE2 3.2Å; G503-Q521 WeakPolarHBondContact O-CG 3.03Å; G503-Q521 PolarHBondContact O-N 3.27Å
504	S	87.1	Confident	88.3	Confident	35 Å²	35	62.2 Å²	62.2	25%	0.245	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-16.5	177.4	62.8	0	0	0	0	113	K506 D510 E519 Q521	S504-K506 WeakPolarHBondContact OG-CG 3.46Å; S504-D510 PolarHBondContact N-OD1 2.92Å; S504-D510 VanDerWaalsContact N-OD1 3.12Å; S504-D510 PolarHBondContact N-OD2 2.97Å; S504-D510 PolarHBondContact OG-OD1 2.86Å; S504-D510 PolarHBondContact OG-OD2 2.75Å; S504-E519 WeakPolarHBondContact CA-O 3.2Å; S504-E519 PolarHBondContact N-O 3.36Å; S504-Q521 PolarHBondContact O-NE2 2.95Å
505	G	82.2	Confident	88.4	Confident	55 Å²	55	59.9 Å²	59.9	57%	0.567	34%	0.337	S	S	*	.			trans	93	14.4	-175.2	0	0	0	0	0	113	G503 D510	G503-G505 VanDerWaalsContact C-N 3.27Å; G505-D510 PolarHBondContact N-OD2 3.19Å
506	K	83.3	Confident	88.1	Confident	143 Å²	143	61.5 Å²	61.5	62%	0.622	35%	0.351	S	S	*	.			trans	-75.8	138	173.4	-72	174.6	-177	172.2	0	109.8	S504 V508 D510	S504-K506 WeakPolarHBondContact OG-CG 3.46Å; K506-V508 PolarHBondContact O-N 3.24Å; K506-D510 HydrophobicContact CB-CB 4.01Å; K506-D510 PolarHBondContact N-OD2 2.91Å
507	A	73.4	Confident	87.6	Confident	106 Å²	106	62.2 Å²	62.2	88%	0.876	36%	0.357	S	S	*	.	S	Bend	trans	-72.8	-26.2	-176.7	0	0	0	0	0	114.1
508	V	70.8	Confident	86.8	Confident	134 Å²	134	66.5 Å²	66.5	81%	0.812	39%	0.394	S	S	*	.	S	Bend	trans	-142.2	138.7	-179.2	-176.7	0	0	0	0	108.9	K506 D510	K506-V508 PolarHBondContact O-N 3.24Å; V508-D510 VanDerWaalsContact C-N 3.34Å; V508-D510 PolarHBondContact O-N 2.84Å
509	G	71.5	Confident	86.3	Confident	62 Å²	62	72 Å²	72	64%	0.639	42%	0.419	S	S	*	.			trans	68.3	30.2	177.5	0	0	0	0	0	113.9	E511	G509-E511 VanDerWaalsContact C-N 3.28Å; G509-E511 PolarHBondContact O-N 2.96Å
510	D	81.4	Confident	86.1	Confident	37 Å²	37	65.2 Å²	65.2	20%	0.198	39%	0.394	C	S	.	.			trans	-75.6	81.7	177.4	-162.9	-9.2	0	0	0	111	S504 G505 K506 V508 A512 K513	S504-D510 PolarHBondContact N-OD1 2.92Å; S504-D510 VanDerWaalsContact N-OD1 3.12Å; S504-D510 PolarHBondContact N-OD2 2.97Å; S504-D510 PolarHBondContact OG-OD1 2.86Å; S504-D510 PolarHBondContact OG-OD2 2.75Å; G505-D510 PolarHBondContact N-OD2 3.19Å; K506-D510 HydrophobicContact CB-CB 4.01Å; K506-D510 PolarHBondContact N-OD2 2.91Å; V508-D510 VanDerWaalsContact C-N 3.34Å; V508-D510 PolarHBondContact O-N 2.84Å; D510-A512 PolarHBondContact O-N 2.8Å; D510-A512 VanDerWaalsContact OD1-CB 3.31Å; D510-A512 WeakPolarHBondContact OD1-CB 3.39Å; D510-A512 PolarHBondContact OD1-N 2.03Å; D510-A512 VanDerWaalsContact OD1-N 3.14Å; D510-K513 PolarHBondContact O-N 3.5Å
511	E	85.6	Confident	85.9	Confident	149 Å²	149	65.5 Å²	65.5	70%	0.696	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-6.5	175.8	-59.7	-174.5	-178.7	0	0	112.9	G509 K513 K515	G509-E511 VanDerWaalsContact C-N 3.28Å; G509-E511 PolarHBondContact O-N 2.96Å; E511-K513 VanDerWaalsContact C-N 3.29Å; E511-K515 WeakPolarHBondContact O-CD 3.45Å; E511-K515 WeakPolarHBondContact O-CE 3.37Å; E511-K515 WeakPolarHBondContact O-CG 3.23Å; E511-K515 PolarHBondContact O-NZ 3.18Å; E511-K515 IonicContact OE2-NZ 2.89Å
512	A	87.8	Confident	86	Confident	2 Å²	2	65.8 Å²	65.8	2%	0.017	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-15	179.4	0	0	0	0	0	112.7	D510 C514 K515 E519	D510-A512 PolarHBondContact O-N 2.8Å; D510-A512 VanDerWaalsContact OD1-CB 3.31Å; D510-A512 WeakPolarHBondContact OD1-CB 3.39Å; D510-A512 PolarHBondContact OD1-N 2.03Å; D510-A512 VanDerWaalsContact OD1-N 3.14Å; A512-C514 PolarHBondContact O-N 3.05Å; A512-C514 VanDerWaalsContact O-N 3.16Å; A512-K515 WeakPolarHBondContact O-CB 3.47Å; A512-K515 PolarHBondContact O-N 3.34Å; A512-E519 HydrophobicContact CB-CB 3.6Å
513	K	92.6	Very high	85.9	Confident	102 Å²	102	65.4 Å²	65.4	44%	0.443	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	123.5	-178.1	-172.1	173.4	177.1	162.7	0	111	C498 R499 C501 D510 E511 K515 E520	C498-K513 WeakPolarHBondContact O-CE 3.42Å; R499-K513 PolarHBondContact O-NZ 3.48Å; C501-K513 HydrophobicContact CB-CG 4.15Å; C501-K513 WeakPolarHBondContact O-CE 3.46Å; C501-K513 PolarHBondContact O-NZ 2.85Å; D510-K513 PolarHBondContact O-N 3.5Å; E511-K513 VanDerWaalsContact C-N 3.29Å; K513-K515 PolarHBondContact O-N 3.48Å; K513-K515 VanDerWaalsContact O-N 3.17Å; K513-E520 WeakPolarHBondContact CA-OE2 3.49Å
514	C	93.7	Very high	85.8	Confident	6 Å²	6	65.8 Å²	65.8	4%	0.041	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	7.7	-178.9	-148.3	0	0	0	0	115.3	P489 G490 C498 C501 A512 E520	P489-C514 CarbonylContact C-O 3.39Å; P489-C514 WeakPolarHBondContact CA-O 2.98Å; G490-C514 PolarHBondContact N-O 3.25Å; C498-C514 WeakPolarHBondContact CA-SG 3.12Å; C498-C514 HydrophobicContact CB-CB 3.58Å; C498-C514 WeakPolarHBondContact CB-SG 3.5Å; C498-C514 WeakPolarHBondContact SG-CB 3.44Å; C498-C514 CovalentContact SG-SG 2.03Å; C498-C514 PolarHBondContact SG-SG 2.85Å; C501-C514 HydrophobicContact CB-CB 4.18Å; C501-C514 VanDerWaalsContact SG-SG 3.65Å; A512-C514 PolarHBondContact O-N 3.05Å; A512-C514 VanDerWaalsContact O-N 3.16Å; C514-E520 PolarHBondContact N-OE2 2.87Å
515	K	91.3	Very high	86.1	Confident	90 Å²	90	66 Å²	66	39%	0.391	39%	0.392	S	S	.	.			trans	-70.1	140.3	172.3	-73.9	-170.4	174.6	156	0	109.8	P489 E511 A512 K513 S517 E520	P489-K515 WeakPolarHBondContact CB-O 3.22Å; E511-K515 WeakPolarHBondContact O-CD 3.45Å; E511-K515 WeakPolarHBondContact O-CE 3.37Å; E511-K515 WeakPolarHBondContact O-CG 3.23Å; E511-K515 PolarHBondContact O-NZ 3.18Å; E511-K515 IonicContact OE2-NZ 2.89Å; A512-K515 WeakPolarHBondContact O-CB 3.47Å; A512-K515 PolarHBondContact O-N 3.34Å; K513-K515 PolarHBondContact O-N 3.48Å; K513-K515 VanDerWaalsContact O-N 3.17Å; K515-S517 PolarHBondContact O-N 3.38Å; K515-E520 WeakPolarHBondContact O-CB 3.35Å
516	A	87.6	Confident	86.6	Confident	55 Å²	55	65.2 Å²	65.2	46%	0.455	38%	0.381	S	S	.	.	S	Bend	trans	-74.7	53.6	173.5	0	0	0	0	0	111.8	Y523	A516-Y523 HydrophobicContact CB-CE2 3.95Å
517	S	84.8	Confident	87.1	Confident	38 Å²	38	58.7 Å²	58.7	27%	0.266	35%	0.353	S	S	.	.	S	Bend	trans	-136.2	160.5	-178.4	76.5	0	0	0	0	110.6	K515 E519 E520 Y523	K515-S517 PolarHBondContact O-N 3.38Å; S517-E519 PolarHBondContact O-N 2.99Å; S517-E519 PolarHBondContact OG-N 3.13Å; S517-E520 PolarHBondContact O-N 2.94Å; S517-E520 VanDerWaalsContact O-N 3.09Å; S517-Y523 VanDerWaalsContact O-CB 3.29Å; S517-Y523 WeakPolarHBondContact O-CB 3.44Å; S517-Y523 WeakPolarHBondContact O-CD1 3.35Å
518	A	80.7	Confident	88.3	Confident	98 Å²	98	53.7 Å²	53.7	81%	0.81	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-9.7	178.9	0	0	0	0	0	113.8	E520	A518-E520 VanDerWaalsContact C-N 3.32Å
519	E	83.9	Confident	89.6	Confident	121 Å²	121	47.3 Å²	47.3	57%	0.565	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-27.6	173.4	-60.7	-178.3	174.1	0	0	111.9	G503 S504 A512 S517 Q521	G503-E519 CarbonylContact C-O 3.14Å; S504-E519 WeakPolarHBondContact CA-O 3.2Å; S504-E519 PolarHBondContact N-O 3.36Å; A512-E519 HydrophobicContact CB-CB 3.6Å; S517-E519 PolarHBondContact O-N 2.99Å; S517-E519 PolarHBondContact OG-N 3.13Å; E519-Q521 PolarHBondContact O-N 3.48Å
520	E	91.7	Very high	90.8	Very high	3 Å²	3	46.4 Å²	46.4	1%	0.014	25%	0.251	C	S	.	.	S	Bend	trans	-75.5	114.5	169.2	169	54.7	-110.7	0	0	109.4	P489 C501 K502 G503 K513 C514 K515 S517 A518 Y522 Y523	P489-E520 HydrophobicContact CB-CG 4.3Å; P489-E520 HydrophobicContact CG-CG 3.88Å; C501-E520 WeakPolarHBondContact CB-OE2 3.01Å; K502-E520 PolarHBondContact N-OE1 3.5Å; K502-E520 PolarHBondContact N-OE2 2.96Å; G503-E520 VanDerWaalsContact CA-OE2 3.3Å; G503-E520 WeakPolarHBondContact CA-OE2 3.34Å; G503-E520 VanDerWaalsContact N-CD 3.26Å; G503-E520 PolarHBondContact N-OE1 3.45Å; G503-E520 VanDerWaalsContact N-OE1 3.13Å; G503-E520 PolarHBondContact N-OE2 3.2Å; K513-E520 WeakPolarHBondContact CA-OE2 3.49Å; C514-E520 PolarHBondContact N-OE2 2.87Å; K515-E520 WeakPolarHBondContact O-CB 3.35Å; S517-E520 PolarHBondContact O-N 2.94Å; S517-E520 VanDerWaalsContact O-N 3.09Å; A518-E520 VanDerWaalsContact C-N 3.32Å; E520-Y522 PolarHBondContact O-N 3.48Å; E520-Y522 VanDerWaalsContact O-N 3.11Å; E520-Y522 PolarHBondContact OE1-N 3.49Å; E520-Y523 VanDerWaalsContact O-CB 3.27Å; E520-Y523 WeakPolarHBondContact O-CB 3.15Å; E520-Y523 PolarHBondContact O-N 3.34Å
521	Q	93.6	Very high	91.6	Very high	57 Å²	57	44.7 Å²	44.7	27%	0.266	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.2	-176	-71.3	-176.6	23.3	0	0	113.9	K502 G503 S504 E519 G527	K502-Q521 HydrophobicContact CB-CB 4.38Å; K502-Q521 HydrophobicContact CD-CB 4.37Å; G503-Q521 WeakPolarHBondContact O-CG 3.03Å; G503-Q521 PolarHBondContact O-N 3.27Å; S504-Q521 PolarHBondContact O-NE2 2.95Å; E519-Q521 PolarHBondContact O-N 3.48Å; Q521-G527 WeakPolarHBondContact O-CA 3.41Å
522	Y	96.5	Very high	92.2	Very high	11 Å²	11	37.6 Å²	37.6	4%	0.043	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	8.3	176.3	-66.4	-12.8	0	0	0	114.3	C487 E500 K502 E520 G527 A528 R530 C531 E534 A536	C487-Y522 HydrophobicContact CB-CD2 4.18Å; E500-Y522 WeakPolarHBondContact O-CD2 3.32Å; E500-Y522 WeakPolarHBondContact O-CE2 3.4Å; K502-Y522 HydrophobicContact CB-CD1 4.33Å; K502-Y522 HydrophobicContact CB-CD2 4.01Å; K502-Y522 HydrophobicContact CB-CE1 4.24Å; K502-Y522 HydrophobicContact CB-CE2 3.94Å; K502-Y522 HydrophobicContact CB-CG 4.2Å; K502-Y522 HydrophobicContact CD-CE1 3.81Å; E520-Y522 PolarHBondContact O-N 3.48Å; E520-Y522 VanDerWaalsContact O-N 3.11Å; E520-Y522 PolarHBondContact OE1-N 3.49Å; Y522-G527 WeakPolarHBondContact CA-O 3.31Å; Y522-G527 CarbonylContact O-C 3.52Å; Y522-A528 PolarHBondContact O-N 2.92Å; Y522-R530 HydrophobicContact CD1-CB 4.4Å; Y522-R530 HydrophobicContact CD1-CG 4.35Å; Y522-R530 HydrophobicContact CE1-CB 4.46Å; Y522-R530 HydrophobicContact CE1-CG 4.03Å; Y522-C531 HydrophobicContact CD1-CB 3.91Å; Y522-C531 HydrophobicContact CD2-CB 3.56Å; Y522-C531 HydrophobicContact CE1-CB 4.15Å; Y522-C531 HydrophobicContact CE2-CB 3.8Å; Y522-C531 HydrophobicContact CG-CB 3.62Å; Y522-E534 PolarHBondContact OH-OE2 3Å; Y522-A536 HydrophobicContact CE2-CB 3.57Å
523	Y	92.8	Very high	92.7	Very high	69 Å²	69	38.8 Å²	38.8	27%	0.271	22%	0.215	S	C	.	.			trans	-78.5	145.8	177.9	-179.9	-118	0	0	0	113.7	T455 P489 A516 S517 E520	T455-Y523 WeakPolarHBondContact O-CD2 3.26Å; T455-Y523 VanDerWaalsContact O-CE2 3.3Å; T455-Y523 WeakPolarHBondContact O-CE2 3.41Å; P489-Y523 HydrophobicContact CB-CD2 3.69Å; P489-Y523 HydrophobicContact CB-CE2 4.48Å; P489-Y523 HydrophobicContact CB-CG 4.44Å; P489-Y523 HydrophobicContact CG-CD2 4.02Å; A516-Y523 HydrophobicContact CB-CE2 3.95Å; S517-Y523 VanDerWaalsContact O-CB 3.29Å; S517-Y523 WeakPolarHBondContact O-CB 3.44Å; S517-Y523 WeakPolarHBondContact O-CD1 3.35Å; E520-Y523 VanDerWaalsContact O-CB 3.27Å; E520-Y523 WeakPolarHBondContact O-CB 3.15Å; E520-Y523 PolarHBondContact O-N 3.34Å
524	G	89.8	Confident	93	Very high	9 Å²	9	37.7 Å²	37.7	9%	0.093	21%	0.212	C	C	.	.	H	α-helix	trans	74.5	-170.6	178.8	0	0	0	0	0	113.8	T455 A528	T455-G524 WeakPolarHBondContact O-CA 3.08Å; T455-G524 PolarHBondContact O-N 3.06Å; G524-A528 WeakPolarHBondContact O-CB 3.32Å; G524-A528 PolarHBondContact O-N 3.19Å
525	Y	92.6	Very high	93.1	Very high	39 Å²	39	39.2 Å²	39.2	15%	0.153	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-54.2	-173.5	-73.1	-63.6	0	0	0	113.1	T455 A461 G527 A528 F529 I542 K543 I546	T455-Y525 HydrophobicContact CG2-CD1 3.48Å; T455-Y525 VanDerWaalsContact CG2-CD1 3.48Å; T455-Y525 HydrophobicContact CG2-CE1 3.74Å; T455-Y525 HydrophobicContact CG2-CG 4.14Å; A461-Y525 HydrophobicContact CB-CE1 4.07Å; Y525-G527 VanDerWaalsContact C-N 3.32Å; Y525-G527 PolarHBondContact O-N 3.44Å; Y525-A528 PolarHBondContact O-N 3.27Å; Y525-F529 PolarHBondContact O-N 3.46Å; Y525-F529 VanDerWaalsContact O-N 3.17Å; Y525-I542 HydrophobicContact CD1-CB 4.27Å; Y525-I542 HydrophobicContact CD1-CG2 4.45Å; Y525-K543 HydrophobicContact CD1-CG 3.8Å; Y525-K543 HydrophobicContact CE1-CD 4.18Å; Y525-K543 HydrophobicContact CE1-CG 3.39Å; Y525-K543 HydrophobicContact CE2-CD 4.18Å; Y525-K543 HydrophobicContact CE2-CG 4.28Å; Y525-K543 HydrophobicContact CG-CG 4.43Å; Y525-K543 WeakPolarHBondContact OH-CE 3.38Å; Y525-I546 VanDerWaalsContact CB-CD1 3.5Å; Y525-I546 HydrophobicContact CD1-CG1 4.22Å; Y525-I546 HydrophobicContact CG-CD1 4.02Å; Y525-I546 HydrophobicContact CG-CG1 4.2Å
526	A	92.8	Very high	93.4	Very high	39 Å²	39	35.5 Å²	35.5	32%	0.322	22%	0.215	S	C	.	.	H	α-helix	trans	-63.9	-38	178.5	0	0	0	0	0	111.9	F529 R530 W558	A526-F529 PolarHBondContact O-N 3.09Å; A526-R530 WeakPolarHBondContact O-CB 3.49Å; A526-R530 PolarHBondContact O-N 2.99Å; A526-W558 HydrophobicContact CB-CZ2 4.36Å; A526-W558 WeakPolarHBondContact O-CZ2 3.04Å
527	G	94.3	Very high	93.9	Very high	5 Å²	5	33.1 Å²	33.1	5%	0.052	20%	0.195	C	C	.	.	H	α-helix	trans	-65.6	-43	177.6	0	0	0	0	0	113.3	Q521 Y522 Y525 F529 R530 C531	Q521-G527 WeakPolarHBondContact O-CA 3.41Å; Y522-G527 WeakPolarHBondContact CA-O 3.31Å; Y522-G527 CarbonylContact O-C 3.52Å; Y525-G527 VanDerWaalsContact C-N 3.32Å; Y525-G527 PolarHBondContact O-N 3.44Å; G527-F529 VanDerWaalsContact C-N 3.32Å; G527-F529 PolarHBondContact O-N 3Å; G527-R530 WeakPolarHBondContact O-CB 3.36Å; G527-R530 PolarHBondContact O-N 3.26Å; G527-C531 WeakPolarHBondContact O-CB 3.29Å; G527-C531 PolarHBondContact O-N 2.96Å
528	A	97.9	Very high	94.5	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-64.4	-37	176	0	0	0	0	0	112.1	C453 T455 Y522 G524 Y525 C531 L532 A540 I542	C453-A528 HydrophobicContact CB-CB 4.47Å; C453-A528 VanDerWaalsContact CB-O 3.24Å; C453-A528 WeakPolarHBondContact CB-O 3.46Å; T455-A528 HydrophobicContact CG2-CB 3.99Å; Y522-A528 PolarHBondContact O-N 2.92Å; G524-A528 WeakPolarHBondContact O-CB 3.32Å; G524-A528 PolarHBondContact O-N 3.19Å; Y525-A528 PolarHBondContact O-N 3.27Å; A528-C531 WeakPolarHBondContact O-CB 3.33Å; A528-C531 PolarHBondContact O-N 3.39Å; A528-L532 PolarHBondContact O-N 3.47Å; A528-A540 WeakPolarHBondContact O-CB 3.47Å; A528-I542 HydrophobicContact CB-CG2 3.75Å
529	F	98.4	Very high	95.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.9	-41.6	173.1	-174.9	-132.6	0	0	0	111.9	V435 Y525 A526 G527 C531 L532 V533 I542 I546 V547 N550 W558 V562 Y567	V435-F529 HydrophobicContact CG1-CE2 4.36Å; Y525-F529 PolarHBondContact O-N 3.46Å; Y525-F529 VanDerWaalsContact O-N 3.17Å; A526-F529 PolarHBondContact O-N 3.09Å; G527-F529 VanDerWaalsContact C-N 3.32Å; G527-F529 PolarHBondContact O-N 3Å; F529-C531 VanDerWaalsContact C-N 3.28Å; F529-C531 PolarHBondContact O-N 3.48Å; F529-L532 HydrophobicContact CD2-CD2 4.36Å; F529-L532 HydrophobicContact CE2-CD2 4.39Å; F529-L532 WeakPolarHBondContact O-CB 3.32Å; F529-L532 PolarHBondContact O-N 3.31Å; F529-L532 VanDerWaalsContact O-N 3.07Å; F529-V533 HydrophobicContact CD1-CG2 4.24Å; F529-V533 HydrophobicContact CD2-CG2 4.23Å; F529-V533 HydrophobicContact CE1-CG2 3.99Å; F529-V533 HydrophobicContact CE2-CG2 3.98Å; F529-V533 HydrophobicContact CG-CG2 4.34Å; F529-V533 HydrophobicContact CZ-CG2 3.84Å; F529-V533 VanDerWaalsContact O-CG2 3.24Å; F529-V533 WeakPolarHBondContact O-CG2 3.45Å; F529-V533 PolarHBondContact O-N 3.4Å; F529-I542 HydrophobicContact CB-CD1 3.83Å; F529-I542 HydrophobicContact CD2-CD1 3.89Å; F529-I542 HydrophobicContact CG-CD1 4.03Å; F529-I546 HydrophobicContact CB-CG2 3.88Å; F529-I546 HydrophobicContact CD1-CG2 4.42Å; F529-I546 HydrophobicContact CG-CG2 4.37Å; F529-V547 HydrophobicContact CE2-CG2 4.11Å; F529-V547 HydrophobicContact CZ-CB 4.35Å; F529-V547 HydrophobicContact CZ-CG1 3.96Å; F529-V547 HydrophobicContact CZ-CG2 4.24Å; F529-N550 HydrophobicContact CD1-CB 3.95Å; F529-N550 HydrophobicContact CE1-CB 4.09Å; F529-W558 AromaticContact CD1-CH2 3.86Å; F529-W558 HydrophobicContact CD1-CH2 3.86Å; F529-W558 HydrophobicContact CD1-CZ3 4.43Å; F529-W558 HydrophobicContact CE1-CH2 4.49Å; F529-V562 HydrophobicContact CE1-CG1 4.15Å; F529-V562 HydrophobicContact CZ-CG1 4.08Å; F529-Y567 AromaticContact CE2-CD1 3.9Å; F529-Y567 HydrophobicContact CE2-CD1 3.9Å; F529-Y567 HydrophobicContact CE2-CD2 4.38Å; F529-Y567 AromaticContact CE2-CE1 3.88Å; F529-Y567 HydrophobicContact CE2-CE1 3.88Å; F529-Y567 HydrophobicContact CE2-CE2 4.41Å; F529-Y567 HydrophobicContact CE2-CG 4.16Å; F529-Y567 HydrophobicContact CZ-CD1 4.39Å; F529-Y567 HydrophobicContact CZ-CD2 4.1Å; F529-Y567 HydrophobicContact CZ-CE1 4.25Å; F529-Y567 AromaticContact CZ-CE2 3.98Å; F529-Y567 HydrophobicContact CZ-CE2 3.98Å; F529-Y567 HydrophobicContact CZ-CG 4.32Å
530	R	97.9	Very high	96.1	Very high	44 Å²	44	23.5 Å²	23.5	17%	0.166	13%	0.131	C	C	.	.	H	α-helix	trans	-56.7	-41	173.4	-173.5	-178.8	-179.4	179.9	-2.2	112.4	Y522 A526 G527 L532 V533 E534 W558	Y522-R530 HydrophobicContact CD1-CB 4.4Å; Y522-R530 HydrophobicContact CD1-CG 4.35Å; Y522-R530 HydrophobicContact CE1-CB 4.46Å; Y522-R530 HydrophobicContact CE1-CG 4.03Å; A526-R530 WeakPolarHBondContact O-CB 3.49Å; A526-R530 PolarHBondContact O-N 2.99Å; G527-R530 WeakPolarHBondContact O-CB 3.36Å; G527-R530 PolarHBondContact O-N 3.26Å; R530-L532 VanDerWaalsContact C-N 3.28Å; R530-L532 PolarHBondContact O-N 2.88Å; R530-V533 PolarHBondContact O-N 3.17Å; R530-E534 HydrophobicContact CG-CG 4.17Å; R530-E534 IonicContact CZ-OE1 3.6Å; R530-E534 VanDerWaalsContact CZ-OE1 3.25Å; R530-E534 IonicContact NE-OE1 3.67Å; R530-E534 PolarHBondContact NE-OE1 3.48Å; R530-E534 IonicContact NH2-OE1 3.5Å; R530-E534 PolarHBondContact NH2-OE1 3.08Å; R530-E534 WeakPolarHBondContact O-CB 3.32Å; R530-E534 WeakPolarHBondContact O-CG 3.4Å; R530-E534 PolarHBondContact O-N 3.47Å; R530-W558 HydrophobicContact CB-CD2 4.02Å; R530-W558 HydrophobicContact CB-CE3 4.02Å; R530-W558 HydrophobicContact CB-CH2 3.79Å; R530-W558 HydrophobicContact CB-CZ2 3.75Å; R530-W558 HydrophobicContact CB-CZ3 3.93Å; R530-W558 HydrophobicContact CG-CD2 3.62Å; R530-W558 HydrophobicContact CG-CE3 3.73Å; R530-W558 HydrophobicContact CG-CG 4.09Å; R530-W558 HydrophobicContact CG-CH2 4.42Å; R530-W558 HydrophobicContact CG-CZ2 4.3Å; R530-W558 HydrophobicContact CG-CZ3 4.15Å
531	C	98.3	Very high	96.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-56.3	-40.8	174.8	167.8	0	0	0	0	112.4	C453 Y522 G527 A528 F529 G535 A536 G537	C453-C531 HydrophobicContact CB-CB 3.59Å; C453-C531 WeakPolarHBondContact CB-SG 3.28Å; C453-C531 WeakPolarHBondContact SG-CB 3.35Å; C453-C531 CovalentContact SG-SG 2.03Å; C453-C531 PolarHBondContact SG-SG 3.04Å; Y522-C531 HydrophobicContact CD1-CB 3.91Å; Y522-C531 HydrophobicContact CD2-CB 3.56Å; Y522-C531 HydrophobicContact CE1-CB 4.15Å; Y522-C531 HydrophobicContact CE2-CB 3.8Å; Y522-C531 HydrophobicContact CG-CB 3.62Å; G527-C531 WeakPolarHBondContact O-CB 3.29Å; G527-C531 PolarHBondContact O-N 2.96Å; A528-C531 WeakPolarHBondContact O-CB 3.33Å; A528-C531 PolarHBondContact O-N 3.39Å; F529-C531 VanDerWaalsContact C-N 3.28Å; F529-C531 PolarHBondContact O-N 3.48Å; C531-G535 PolarHBondContact O-N 2.74Å; C531-A536 WeakPolarHBondContact O-CB 3.49Å; C531-A536 PolarHBondContact O-N 3.18Å; C531-G537 PolarHBondContact O-N 3.31Å
532	L	98.5	Very high	96.6	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-69.8	-47.3	173.3	175.1	66.6	0	0	0	111.5	V435 K437 C453 A528 F529 R530 E534 G535 G537 D538 A540 Y567	V435-L532 HydrophobicContact CB-CD2 4.18Å; V435-L532 HydrophobicContact CG1-CD2 3.94Å; V435-L532 WeakPolarHBondContact O-CD2 3.21Å; K437-L532 WeakPolarHBondContact CE-O 3.27Å; K437-L532 HydrophobicContact CG-CD1 4.28Å; K437-L532 HydrophobicContact CG-CG 4.49Å; K437-L532 PolarHBondContact NZ-O 3.24Å; C453-L532 PolarHBondContact SG-N 3.48Å; C453-L532 VanDerWaalsContact SG-N 3.43Å; A528-L532 PolarHBondContact O-N 3.47Å; F529-L532 HydrophobicContact CD2-CD2 4.36Å; F529-L532 HydrophobicContact CE2-CD2 4.39Å; F529-L532 WeakPolarHBondContact O-CB 3.32Å; F529-L532 PolarHBondContact O-N 3.31Å; F529-L532 VanDerWaalsContact O-N 3.07Å; R530-L532 VanDerWaalsContact C-N 3.28Å; R530-L532 PolarHBondContact O-N 2.88Å; L532-E534 VanDerWaalsContact C-N 3.34Å; L532-E534 PolarHBondContact O-N 3.21Å; L532-G535 PolarHBondContact O-N 2.74Å; L532-G537 WeakPolarHBondContact CD1-O 3.36Å; L532-D538 WeakPolarHBondContact CD1-O 3.41Å; L532-A540 HydrophobicContact CB-CB 3.87Å; L532-A540 HydrophobicContact CD2-CB 3.95Å; L532-Y567 HydrophobicContact CD2-CD1 3.93Å; L532-Y567 HydrophobicContact CD2-CE1 4.06Å; L532-Y567 HydrophobicContact CG-CE1 4.2Å
533	V	98.1	Very high	96.5	Very high	26 Å²	26	21.3 Å²	21.3	16%	0.158	12%	0.121	C	C	.	.	H	α-helix	trans	-55.8	-49.2	-179	170.4	0	0	0	0	110.8	K437 F529 R530 G535 W558 V562 Y567	K437-V533 PolarHBondContact NZ-O 3.08Å; F529-V533 HydrophobicContact CD1-CG2 4.24Å; F529-V533 HydrophobicContact CD2-CG2 4.23Å; F529-V533 HydrophobicContact CE1-CG2 3.99Å; F529-V533 HydrophobicContact CE2-CG2 3.98Å; F529-V533 HydrophobicContact CG-CG2 4.34Å; F529-V533 HydrophobicContact CZ-CG2 3.84Å; F529-V533 VanDerWaalsContact O-CG2 3.24Å; F529-V533 WeakPolarHBondContact O-CG2 3.45Å; F529-V533 PolarHBondContact O-N 3.4Å; R530-V533 PolarHBondContact O-N 3.17Å; V533-G535 PolarHBondContact O-N 2.9Å; V533-W558 HydrophobicContact CB-CZ3 4.18Å; V533-W558 HydrophobicContact CG1-CE3 4.38Å; V533-W558 HydrophobicContact CG1-CZ3 4.25Å; V533-W558 HydrophobicContact CG2-CZ3 3.89Å; V533-V562 HydrophobicContact CG1-CG2 3.64Å; V533-V562 HydrophobicContact CG2-CG1 4.32Å; V533-V562 HydrophobicContact CG2-CG2 4.26Å; V533-Y567 HydrophobicContact CG2-CE1 4.28Å; V533-Y567 VanDerWaalsContact CG2-OH 3.26Å; V533-Y567 WeakPolarHBondContact CG2-OH 3.48Å
534	E	97.1	Very high	96.6	Very high	79 Å²	79	19.9 Å²	19.9	37%	0.369	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-1.7	179.4	-64.7	-171.8	179.4	0	0	113.6	K502 Y522 R530 L532 A536	K502-E534 IonicContact NZ-OE1 3.92Å; K502-E534 PolarHBondContact NZ-OE1 3.49Å; K502-E534 IonicContact NZ-OE2 2.88Å; K502-E534 PolarHBondContact NZ-OE2 3.34Å; Y522-E534 PolarHBondContact OH-OE2 3Å; R530-E534 HydrophobicContact CG-CG 4.17Å; R530-E534 IonicContact CZ-OE1 3.6Å; R530-E534 VanDerWaalsContact CZ-OE1 3.25Å; R530-E534 IonicContact NE-OE1 3.67Å; R530-E534 PolarHBondContact NE-OE1 3.48Å; R530-E534 IonicContact NH2-OE1 3.5Å; R530-E534 PolarHBondContact NH2-OE1 3.08Å; R530-E534 WeakPolarHBondContact O-CB 3.32Å; R530-E534 WeakPolarHBondContact O-CG 3.4Å; R530-E534 PolarHBondContact O-N 3.47Å; L532-E534 VanDerWaalsContact C-N 3.34Å; L532-E534 PolarHBondContact O-N 3.21Å; E534-A536 VanDerWaalsContact C-N 3.35Å
535	G	96.5	Very high	96.7	Very high	38 Å²	38	20.9 Å²	20.9	39%	0.392	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	15	174.7	0	0	0	0	0	114.9	C531 L532 V533	C531-G535 PolarHBondContact O-N 2.74Å; L532-G535 PolarHBondContact O-N 2.74Å; V533-G535 PolarHBondContact O-N 2.9Å
536	A	97.4	Very high	96.8	Very high	13 Å²	13	19.4 Å²	19.4	11%	0.107	12%	0.117	C	C	.	.	S	Bend	trans	-73.2	-30.6	174.5	0	0	0	0	0	111.7	K451 E500 Y522 C531 E534	K451-A536 WeakPolarHBondContact CD-O 3.29Å; E500-A536 HydrophobicContact CB-CB 4.27Å; E500-A536 WeakPolarHBondContact CG-O 3.41Å; Y522-A536 HydrophobicContact CE2-CB 3.57Å; C531-A536 WeakPolarHBondContact O-CB 3.49Å; C531-A536 PolarHBondContact O-N 3.18Å; E534-A536 VanDerWaalsContact C-N 3.35Å
537	G	97.7	Very high	97	Very high	4 Å²	4	17.6 Å²	17.6	4%	0.041	10%	0.102	C	C	.	.			trans	-124.3	164.1	170.9	0	0	0	0	0	113.7	C453 C531 L532	C453-G537 VanDerWaalsContact SG-CA 3.54Å; C531-G537 PolarHBondContact O-N 3.31Å; L532-G537 WeakPolarHBondContact CD1-O 3.36Å
538	D	98.6	Very high	96.9	Very high	55 Å²	55	20.5 Å²	20.5	29%	0.294	12%	0.121	S	C	.	.	S	Bend	trans	-94.7	-23.4	175.6	-58.9	-47.3	0	0	0	112	V442 K450 K451 L532	V442-D538 HydrophobicContact CG2-CB 4.33Å; K450-D538 HydrophobicContact CB-CB 4.09Å; K451-D538 PolarHBondContact N-OD2 3.15Å; K451-D538 PolarHBondContact O-N 2.81Å; L532-D538 WeakPolarHBondContact CD1-O 3.41Å
539	V	98.7	Very high	96.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	141.8	179	62.4	0	0	0	0	110.8	A434 V435 V436 L447 K451 C453 F483 F541 I570	A434-V539 HydrophobicContact CB-CG2 4.07Å; V435-V539 CarbonylContact O-C 3.56Å; V435-V539 WeakPolarHBondContact O-CA 3.36Å; V436-V539 HydrophobicContact CG1-CB 4.03Å; V436-V539 HydrophobicContact CG1-CG2 3.98Å; L447-V539 HydrophobicContact CD1-CB 4.11Å; L447-V539 HydrophobicContact CD1-CG1 3.86Å; L447-V539 HydrophobicContact CD1-CG2 4.25Å; K451-V539 PolarHBondContact O-N 3.02Å; C453-V539 PolarHBondContact N-O 2.87Å; F483-V539 HydrophobicContact CE1-CG1 4.28Å; V539-F541 HydrophobicContact CG1-CE2 3.91Å; V539-F541 HydrophobicContact CG1-CZ 4.14Å; V539-F541 HydrophobicContact CG2-CE1 4.24Å; V539-F541 HydrophobicContact CG2-CE2 4.29Å; V539-F541 HydrophobicContact CG2-CZ 4.03Å; V539-I570 HydrophobicContact CG2-CD1 4.24Å
540	A	98.8	Very high	96.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.3	169.5	0	0	0	0	0	111.6	A434 V435 C453 A528 L532 I542	A434-A540 WeakPolarHBondContact CA-O 3.48Å; V435-A540 PolarHBondContact N-O 3.08Å; V435-A540 PolarHBondContact O-N 2.88Å; C453-A540 HydrophobicContact CB-CB 4.1Å; C453-A540 WeakPolarHBondContact O-CA 3.41Å; A528-A540 WeakPolarHBondContact O-CB 3.47Å; L532-A540 HydrophobicContact CB-CB 3.87Å; L532-A540 HydrophobicContact CD2-CB 3.95Å; A540-I542 HydrophobicContact CB-CD1 4.5Å; A540-I542 HydrophobicContact CB-CG2 4.45Å
541	F	98.5	Very high	96.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	108	174.8	-60.6	-77.2	0	0	0	110.2	V433 A434 W444 L447 C453 H454 T455 G462 P466 F483 V539 L587	V433-F541 WeakPolarHBondContact O-CA 3.42Å; A434-F541 HydrophobicContact CB-CD1 3.79Å; A434-F541 HydrophobicContact CB-CE1 3.66Å; W444-F541 HydrophobicContact CZ3-CE1 4.13Å; L447-F541 HydrophobicContact CD2-CZ 4.19Å; C453-F541 PolarHBondContact O-N 3.16Å; H454-F541 AromaticContact CE1-CD2 3.38Å; H454-F541 WeakPolarHBondContact CE1-CD2 3.4Å; H454-F541 AromaticContact CE1-CE2 3.54Å; H454-F541 AromaticContact ND1-CD2 3.47Å; H454-F541 WeakPolarHBondContact ND1-CD2 3.33Å; T455-F541 WeakPolarHBondContact CG2-O 3.2Å; G462-F541 WeakPolarHBondContact CA-O 3.45Å; P466-F541 HydrophobicContact CB-CD1 3.47Å; P466-F541 VanDerWaalsContact CB-CD1 3.47Å; P466-F541 HydrophobicContact CB-CD2 4.41Å; P466-F541 HydrophobicContact CB-CE1 3.52Å; P466-F541 HydrophobicContact CB-CE2 4.44Å; P466-F541 HydrophobicContact CB-CG 3.93Å; P466-F541 HydrophobicContact CB-CZ 4.02Å; P466-F541 HydrophobicContact CG-CB 4.07Å; P466-F541 HydrophobicContact CG-CD1 3.83Å; P466-F541 HydrophobicContact CG-CD2 4.39Å; P466-F541 HydrophobicContact CG-CE1 4.34Å; P466-F541 HydrophobicContact CG-CG 3.84Å; F483-F541 HydrophobicContact CE1-CE2 4.39Å; F483-F541 AromaticContact CZ-CE2 3.82Å; F483-F541 HydrophobicContact CZ-CE2 3.82Å; F483-F541 AromaticContact CZ-CZ 3.93Å; F483-F541 HydrophobicContact CZ-CZ 3.93Å; V539-F541 HydrophobicContact CG1-CE2 3.91Å; V539-F541 HydrophobicContact CG1-CZ 4.14Å; V539-F541 HydrophobicContact CG2-CE1 4.24Å; V539-F541 HydrophobicContact CG2-CE2 4.29Å; V539-F541 HydrophobicContact CG2-CZ 4.03Å; F541-L587 HydrophobicContact CD1-CD1 4.02Å; F541-L587 HydrophobicContact CE1-CD1 4.27Å
542	I	97.1	Very high	96.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	-178.3	-168.7	56.9	-176.7	0	0	0	111.2	V433 V435 T455 Y525 A528 F529 A540 I546 V547	V433-I542 HydrophobicContact CG2-CG1 4.32Å; V433-I542 PolarHBondContact N-O 2.8Å; V433-I542 PolarHBondContact O-N 3.44Å; V433-I542 VanDerWaalsContact O-N 3.08Å; V435-I542 HydrophobicContact CB-CD1 4.38Å; V435-I542 HydrophobicContact CG2-CD1 3.76Å; V435-I542 HydrophobicContact CG2-CG1 3.78Å; T455-I542 HydrophobicContact CG2-CG2 4.13Å; Y525-I542 HydrophobicContact CD1-CB 4.27Å; Y525-I542 HydrophobicContact CD1-CG2 4.45Å; A528-I542 HydrophobicContact CB-CG2 3.75Å; F529-I542 HydrophobicContact CB-CD1 3.83Å; F529-I542 HydrophobicContact CD2-CD1 3.89Å; F529-I542 HydrophobicContact CG-CD1 4.03Å; A540-I542 HydrophobicContact CB-CD1 4.5Å; A540-I542 HydrophobicContact CB-CG2 4.45Å; I542-I546 HydrophobicContact CB-CB 4.36Å; I542-I546 HydrophobicContact CB-CG1 4.31Å; I542-I546 HydrophobicContact CD1-CB 3.96Å; I542-I546 HydrophobicContact CD1-CG2 3.95Å; I542-I546 HydrophobicContact CG1-CB 4.42Å; I542-V547 HydrophobicContact CD1-CG2 4.33Å
543	K	94.8	Very high	96	Very high	26 Å²	26	30.3 Å²	30.3	11%	0.113	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	151.8	167.6	-46.5	-172.5	175.4	-160.5	0	109.9	Y430 Y431 Y525 S545 I546	Y430-K543 HydrophobicContact CD1-CD 4.17Å; Y430-K543 VanDerWaalsContact CD1-NZ 3.27Å; Y430-K543 HydrophobicContact CD2-CB 4.06Å; Y430-K543 HydrophobicContact CD2-CD 3.44Å; Y430-K543 VanDerWaalsContact CD2-CD 3.44Å; Y430-K543 HydrophobicContact CD2-CG 3.5Å; Y430-K543 HydrophobicContact CE1-CD 4.48Å; Y430-K543 HydrophobicContact CE2-CD 3.82Å; Y430-K543 VanDerWaalsContact CE2-CE 3.49Å; Y430-K543 HydrophobicContact CE2-CG 3.8Å; Y430-K543 HydrophobicContact CG-CD 3.61Å; Y430-K543 HydrophobicContact CG-CG 4.18Å; Y431-K543 CarbonylContact O-C 3.44Å; Y431-K543 WeakPolarHBondContact O-CA 2.98Å; Y525-K543 HydrophobicContact CD1-CG 3.8Å; Y525-K543 HydrophobicContact CE1-CD 4.18Å; Y525-K543 HydrophobicContact CE1-CG 3.39Å; Y525-K543 HydrophobicContact CE2-CD 4.18Å; Y525-K543 HydrophobicContact CE2-CG 4.28Å; Y525-K543 HydrophobicContact CG-CG 4.43Å; Y525-K543 WeakPolarHBondContact OH-CE 3.38Å; K543-S545 PolarHBondContact O-N 2.9Å; K543-I546 HydrophobicContact CB-CG1 3.98Å; K543-I546 WeakPolarHBondContact O-CB 3.36Å; K543-I546 WeakPolarHBondContact O-CG1 3.44Å; K543-I546 PolarHBondContact O-N 3.47Å
544	H	94.5	Very high	95.5	Very high	38 Å²	38	33.3 Å²	33.3	18%	0.176	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-36.8	176.3	68.8	-70.7	0	0	0	114	Y431 V433 I546 F582	Y431-H544 AromaticContact CD2-CE1 3.96Å; Y431-H544 AromaticContact CD2-ND1 3.91Å; Y431-H544 PolarHBondContact N-ND1 3Å; Y431-H544 VanDerWaalsContact N-ND1 3.11Å; Y431-H544 PolarHBondContact O-N 2.95Å; Y431-H544 PolarHBondContact O-ND1 2.88Å; V433-H544 HydrophobicContact CG1-CB 3.99Å; V433-H544 HydrophobicContact CG2-CB 4.43Å; H544-I546 VanDerWaalsContact C-N 3.25Å; H544-I546 PolarHBondContact O-N 2.79Å; H544-F582 HydrophobicContact CB-CB 3.61Å; H544-F582 HydrophobicContact CB-CD1 4Å; H544-F582 HydrophobicContact CB-CD2 3.94Å; H544-F582 HydrophobicContact CB-CG 3.57Å; H544-F582 AromaticContact CD2-CD1 3.73Å; H544-F582 AromaticContact CD2-CD2 3.55Å; H544-F582 AromaticContact CD2-CE1 3.59Å; H544-F582 AromaticContact CD2-CE2 3.39Å; H544-F582 WeakPolarHBondContact CD2-CE2 3.43Å; H544-F582 AromaticContact CD2-CG 3.73Å; H544-F582 AromaticContact CD2-CZ 3.41Å; H544-F582 VanDerWaalsContact CD2-CZ 3.41Å; H544-F582 WeakPolarHBondContact CD2-CZ 3.28Å; H544-F582 AromaticContact CG-CD2 3.7Å; H544-F582 AromaticContact CG-CE2 4Å; H544-F582 AromaticContact CG-CG 3.81Å; H544-F582 AromaticContact NE2-CE2 3.78Å; H544-F582 AromaticContact NE2-CZ 3.89Å
545	S	92.4	Very high	95.1	Very high	31 Å²	31	31.9 Å²	31.9	22%	0.217	21%	0.211	C	C	.	.	H	α-helix	trans	-69.5	-17.8	-177.1	69.1	0	0	0	0	114.6	K543 V547 S548 E549	K543-S545 PolarHBondContact O-N 2.9Å; S545-V547 VanDerWaalsContact C-N 3.32Å; S545-V547 PolarHBondContact O-N 2.83Å; S545-S548 PolarHBondContact O-N 3.1Å; S545-S548 PolarHBondContact O-OG 2.96Å; S545-E549 WeakPolarHBondContact CB-OE1 3.42Å; S545-E549 WeakPolarHBondContact O-CB 3.47Å; S545-E549 VanDerWaalsContact O-CG 3.25Å; S545-E549 WeakPolarHBondContact O-CG 3.23Å; S545-E549 PolarHBondContact O-N 2.9Å; S545-E549 PolarHBondContact OG-OE1 3.12Å
546	I	95	Very high	94.7	Very high	7 Å²	7	32.7 Å²	32.7	4%	0.036	21%	0.209	C	C	.	.	H	α-helix	trans	-70.2	-30.2	-168.7	-58.9	-58	0	0	0	112.6	Y525 F529 I542 K543 H544 N550	Y525-I546 VanDerWaalsContact CB-CD1 3.5Å; Y525-I546 HydrophobicContact CD1-CG1 4.22Å; Y525-I546 HydrophobicContact CG-CD1 4.02Å; Y525-I546 HydrophobicContact CG-CG1 4.2Å; F529-I546 HydrophobicContact CB-CG2 3.88Å; F529-I546 HydrophobicContact CD1-CG2 4.42Å; F529-I546 HydrophobicContact CG-CG2 4.37Å; I542-I546 HydrophobicContact CB-CB 4.36Å; I542-I546 HydrophobicContact CB-CG1 4.31Å; I542-I546 HydrophobicContact CD1-CB 3.96Å; I542-I546 HydrophobicContact CD1-CG2 3.95Å; I542-I546 HydrophobicContact CG1-CB 4.42Å; K543-I546 HydrophobicContact CB-CG1 3.98Å; K543-I546 WeakPolarHBondContact O-CB 3.36Å; K543-I546 WeakPolarHBondContact O-CG1 3.44Å; K543-I546 PolarHBondContact O-N 3.47Å; H544-I546 VanDerWaalsContact C-N 3.25Å; H544-I546 PolarHBondContact O-N 2.79Å; I546-N550 PolarHBondContact O-N 3.22Å; I546-N550 PolarHBondContact O-ND2 3Å
547	V	96.1	Very high	94.4	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-63.6	-55.3	177.9	-178.6	0	0	0	0	109.2	V435 F529 I542 S545 E549 N550 S551 V579	V435-V547 HydrophobicContact CG1-CG2 4.08Å; V435-V547 HydrophobicContact CG2-CG2 4.06Å; F529-V547 HydrophobicContact CE2-CG2 4.11Å; F529-V547 HydrophobicContact CZ-CB 4.35Å; F529-V547 HydrophobicContact CZ-CG1 3.96Å; F529-V547 HydrophobicContact CZ-CG2 4.24Å; I542-V547 HydrophobicContact CD1-CG2 4.33Å; S545-V547 VanDerWaalsContact C-N 3.32Å; S545-V547 PolarHBondContact O-N 2.83Å; V547-E549 VanDerWaalsContact C-N 3.34Å; V547-E549 PolarHBondContact O-N 2.79Å; V547-N550 CarbonylContact O-C 3.53Å; V547-N550 VanDerWaalsContact O-C 3.28Å; V547-N550 PolarHBondContact O-N 3.43Å; V547-S551 VanDerWaalsContact O-CB 3.28Å; V547-S551 WeakPolarHBondContact O-CB 3.28Å; V547-S551 PolarHBondContact O-N 2.76Å; V547-S551 VanDerWaalsContact O-N 3.1Å; V547-S551 PolarHBondContact O-OG 2.99Å; V547-V579 HydrophobicContact CG1-CG1 4.32Å; V547-V579 HydrophobicContact CG1-CG2 4.3Å; V547-V579 HydrophobicContact CG2-CG1 4.38Å
548	S	93.5	Very high	94.3	Very high	65 Å²	65	40.2 Å²	40.2	46%	0.455	24%	0.242	S	C	.	.	H	α-helix	trans	-66.3	-32.2	-179	55	0	0	0	0	113.6	S545 N550 N554	S545-S548 PolarHBondContact O-N 3.1Å; S545-S548 PolarHBondContact O-OG 2.96Å; S548-N550 PolarHBondContact O-N 3.07Å; S548-N554 PolarHBondContact O-ND2 2.84Å
549	E	91.8	Very high	94.1	Very high	99 Å²	99	37.6 Å²	37.6	46%	0.463	23%	0.228	S	C	.	.	H	α-helix	trans	-64.4	-20.6	173.1	-74.7	170.2	-146.1	0	0	113.2	S545 V547 G555	S545-E549 WeakPolarHBondContact CB-OE1 3.42Å; S545-E549 WeakPolarHBondContact O-CB 3.47Å; S545-E549 VanDerWaalsContact O-CG 3.25Å; S545-E549 WeakPolarHBondContact O-CG 3.23Å; S545-E549 PolarHBondContact O-N 2.9Å; S545-E549 PolarHBondContact OG-OE1 3.12Å; V547-E549 VanDerWaalsContact C-N 3.34Å; V547-E549 PolarHBondContact O-N 2.79Å; E549-G555 WeakPolarHBondContact O-CA 3.46Å; E549-G555 PolarHBondContact O-N 3.38Å
550	N	94.8	Very high	93.7	Very high	9 Å²	9	45.9 Å²	45.9	5%	0.048	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.2	34.1	-174.6	-59.1	-92.4	0	0	0	112	F529 I546 V547 S548 P556 W558 A559	F529-N550 HydrophobicContact CD1-CB 3.95Å; F529-N550 HydrophobicContact CE1-CB 4.09Å; I546-N550 PolarHBondContact O-N 3.22Å; I546-N550 PolarHBondContact O-ND2 3Å; V547-N550 CarbonylContact O-C 3.53Å; V547-N550 VanDerWaalsContact O-C 3.28Å; V547-N550 PolarHBondContact O-N 3.43Å; S548-N550 PolarHBondContact O-N 3.07Å; N550-P556 WeakPolarHBondContact OD1-CD 3.23Å; N550-W558 HydrophobicContact CB-CH2 3.81Å; N550-W558 HydrophobicContact CB-CZ2 4.18Å; N550-A559 HydrophobicContact CB-CB 3.96Å; N550-A559 WeakPolarHBondContact O-CB 3.42Å
551	S	96.1	Very high	93.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	30%	0.298	C	S	.	.	S	Bend	trans	-144.8	172.4	174.2	68.7	0	0	0	0	111.1	V547 G553 N554 V562 S564	V547-S551 VanDerWaalsContact O-CB 3.28Å; V547-S551 WeakPolarHBondContact O-CB 3.28Å; V547-S551 PolarHBondContact O-N 2.76Å; V547-S551 VanDerWaalsContact O-N 3.1Å; V547-S551 PolarHBondContact O-OG 2.99Å; S551-G553 PolarHBondContact O-N 3.39Å; S551-N554 VanDerWaalsContact O-CB 3.28Å; S551-N554 WeakPolarHBondContact O-CB 3.37Å; S551-N554 PolarHBondContact O-N 3.05Å; S551-N554 PolarHBondContact O-ND2 3.21Å; S551-V562 CarbonylContact C-O 3.55Å; S551-V562 WeakPolarHBondContact CA-O 3.43Å; S551-V562 WeakPolarHBondContact CB-O 3.43Å; S551-S564 WeakPolarHBondContact OG-CB 3.41Å
552	D	96.2	Very high	93.4	Very high	82 Å²	82	50.2 Å²	50.2	44%	0.439	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	36.7	168.6	-46	-50.8	0	0	0	113.2	V562 N563 S564	D552-V562 PolarHBondContact N-O 3.11Å; D552-N563 WeakPolarHBondContact OD1-CA 3.38Å; D552-N563 PolarHBondContact OD1-OD1 3.28Å; D552-S564 PolarHBondContact OD1-N 2.83Å; D552-S564 PolarHBondContact OD1-OG 3.49Å; D552-S564 WeakPolarHBondContact OD2-CB 3.19Å; D552-S564 PolarHBondContact OD2-OG 3.15Å
553	G	91.6	Very high	93.4	Very high	63 Å²	63	53.6 Å²	53.6	65%	0.649	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	-1.2	-178.2	0	0	0	0	0	114.8	S551	S551-G553 PolarHBondContact O-N 3.39Å
554	N	88.7	Confident	93.5	Very high	89 Å²	89	53.1 Å²	53.1	48%	0.476	32%	0.319	S	S	.	.			trans	-92.3	161.1	174.7	-58.3	-53.1	0	0	0	112.5	S548 S551	S548-N554 PolarHBondContact O-ND2 2.84Å; S551-N554 VanDerWaalsContact O-CB 3.28Å; S551-N554 WeakPolarHBondContact O-CB 3.37Å; S551-N554 PolarHBondContact O-N 3.05Å; S551-N554 PolarHBondContact O-ND2 3.21Å
555	G	88.4	Confident	93.6	Very high	49 Å²	49	53.7 Å²	53.7	51%	0.505	33%	0.331	S	S	.	.	S	Bend	trans	89.6	-169.4	171.1	0	0	0	0	0	114.8	E549	E549-G555 WeakPolarHBondContact O-CA 3.46Å; E549-G555 PolarHBondContact O-N 3.38Å
556	P	88.4	Confident	93.9	Very high	55 Å²	55	56.5 Å²	56.5	36%	0.357	34%	0.344	S	S	.	.	S	Bend	trans	-74.9	175.5	-177.3	32.7	-37.9	0	0	0	112.7	N550 W558 A559	N550-P556 WeakPolarHBondContact OD1-CD 3.23Å; P556-W558 VanDerWaalsContact C-N 3.25Å; P556-W558 VanDerWaalsContact CG-CD1 3.48Å; P556-W558 HydrophobicContact CG-CD2 4.32Å; P556-W558 HydrophobicContact CG-CG 4.24Å; P556-W558 HydrophobicContact CG-CZ2 4.13Å; P556-W558 PolarHBondContact O-N 3.25Å; P556-W558 VanDerWaalsContact O-N 3.09Å; P556-A559 HydrophobicContact CG-CB 4.36Å; P556-A559 WeakPolarHBondContact O-CA 3.5Å; P556-A559 WeakPolarHBondContact O-CB 3.2Å; P556-A559 PolarHBondContact O-N 3.26Å
557	D	91.8	Very high	94.1	Very high	117 Å²	117	57 Å²	57	63%	0.626	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-55.6	-34.2	-173.4	-70.1	-4.1	0	0	0	115	A559 R560	D557-A559 PolarHBondContact O-N 3.48Å; D557-R560 VanDerWaalsContact CG-NH2 3.32Å; D557-R560 PolarHBondContact O-N 2.79Å; D557-R560 IonicContact OD1-CZ 2.62Å; D557-R560 IonicContact OD1-NE 3.25Å; D557-R560 PolarHBondContact OD1-NE 2.73Å; D557-R560 VanDerWaalsContact OD1-NE 3.09Å; D557-R560 IonicContact OD1-NH2 2.73Å; D557-R560 PolarHBondContact OD1-NH2 2.82Å; D557-R560 IonicContact OD2-NH2 2.82Å
558	W	93.9	Very high	94.2	Very high	57 Å²	57	58.3 Å²	58.3	22%	0.216	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-68.1	-23.4	177.3	69.6	-102.4	0	0	0	112.9	A526 F529 R530 V533 N550 P556 V562	A526-W558 HydrophobicContact CB-CZ2 4.36Å; A526-W558 WeakPolarHBondContact O-CZ2 3.04Å; F529-W558 AromaticContact CD1-CH2 3.86Å; F529-W558 HydrophobicContact CD1-CH2 3.86Å; F529-W558 HydrophobicContact CD1-CZ3 4.43Å; F529-W558 HydrophobicContact CE1-CH2 4.49Å; R530-W558 HydrophobicContact CB-CD2 4.02Å; R530-W558 HydrophobicContact CB-CE3 4.02Å; R530-W558 HydrophobicContact CB-CH2 3.79Å; R530-W558 HydrophobicContact CB-CZ2 3.75Å; R530-W558 HydrophobicContact CB-CZ3 3.93Å; R530-W558 HydrophobicContact CG-CD2 3.62Å; R530-W558 HydrophobicContact CG-CE3 3.73Å; R530-W558 HydrophobicContact CG-CG 4.09Å; R530-W558 HydrophobicContact CG-CH2 4.42Å; R530-W558 HydrophobicContact CG-CZ2 4.3Å; R530-W558 HydrophobicContact CG-CZ3 4.15Å; V533-W558 HydrophobicContact CB-CZ3 4.18Å; V533-W558 HydrophobicContact CG1-CE3 4.38Å; V533-W558 HydrophobicContact CG1-CZ3 4.25Å; V533-W558 HydrophobicContact CG2-CZ3 3.89Å; N550-W558 HydrophobicContact CB-CH2 3.81Å; N550-W558 HydrophobicContact CB-CZ2 4.18Å; P556-W558 VanDerWaalsContact C-N 3.25Å; P556-W558 VanDerWaalsContact CG-CD1 3.48Å; P556-W558 HydrophobicContact CG-CD2 4.32Å; P556-W558 HydrophobicContact CG-CG 4.24Å; P556-W558 HydrophobicContact CG-CZ2 4.13Å; P556-W558 PolarHBondContact O-N 3.25Å; P556-W558 VanDerWaalsContact O-N 3.09Å; W558-V562 HydrophobicContact CZ3-CG2 4.35Å
559	A	94.4	Very high	94.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-89.9	-11.4	-176.5	0	0	0	0	0	113.7	N550 P556 D557 G561 V562	N550-A559 HydrophobicContact CB-CB 3.96Å; N550-A559 WeakPolarHBondContact O-CB 3.42Å; P556-A559 HydrophobicContact CG-CB 4.36Å; P556-A559 WeakPolarHBondContact O-CA 3.5Å; P556-A559 WeakPolarHBondContact O-CB 3.2Å; P556-A559 PolarHBondContact O-N 3.26Å; D557-A559 PolarHBondContact O-N 3.48Å; A559-G561 PolarHBondContact O-N 3.5Å; A559-V562 VanDerWaalsContact O-CB 3.32Å; A559-V562 WeakPolarHBondContact O-CB 3.31Å; A559-V562 WeakPolarHBondContact O-CG2 3.43Å; A559-V562 PolarHBondContact O-N 2.65Å
560	R	91.8	Very high	94.7	Very high	174 Å²	174	50.7 Å²	50.7	66%	0.657	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.7	-173	-69.7	-178.9	-173	-177.2	3	114.8	D557	D557-R560 VanDerWaalsContact CG-NH2 3.32Å; D557-R560 PolarHBondContact O-N 2.79Å; D557-R560 IonicContact OD1-CZ 2.62Å; D557-R560 IonicContact OD1-NE 3.25Å; D557-R560 PolarHBondContact OD1-NE 2.73Å; D557-R560 VanDerWaalsContact OD1-NE 3.09Å; D557-R560 IonicContact OD1-NH2 2.73Å; D557-R560 PolarHBondContact OD1-NH2 2.82Å; D557-R560 IonicContact OD2-NH2 2.82Å
561	G	93.3	Very high	94.6	Very high	79 Å²	79	50.4 Å²	50.4	81%	0.814	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	6.6	179.6	0	0	0	0	0	114.7	A559	A559-G561 PolarHBondContact O-N 3.5Å
562	V	97.1	Very high	94.4	Very high	12 Å²	12	52.5 Å²	52.5	7%	0.073	32%	0.321	C	S	.	.			trans	-87.1	128.8	-176.2	-178.9	0	0	0	0	109.4	F529 V533 S551 D552 W558 A559 Y567	F529-V562 HydrophobicContact CE1-CG1 4.15Å; F529-V562 HydrophobicContact CZ-CG1 4.08Å; V533-V562 HydrophobicContact CG1-CG2 3.64Å; V533-V562 HydrophobicContact CG2-CG1 4.32Å; V533-V562 HydrophobicContact CG2-CG2 4.26Å; S551-V562 CarbonylContact C-O 3.55Å; S551-V562 WeakPolarHBondContact CA-O 3.43Å; S551-V562 WeakPolarHBondContact CB-O 3.43Å; D552-V562 PolarHBondContact N-O 3.11Å; W558-V562 HydrophobicContact CZ3-CG2 4.35Å; A559-V562 VanDerWaalsContact O-CB 3.32Å; A559-V562 WeakPolarHBondContact O-CB 3.31Å; A559-V562 WeakPolarHBondContact O-CG2 3.43Å; A559-V562 PolarHBondContact O-N 2.65Å; V562-Y567 HydrophobicContact CG1-CE2 3.57Å
563	N	97.3	Very high	94.1	Very high	71 Å²	71	52.8 Å²	52.8	38%	0.38	34%	0.343	S	S	.	.			trans	-106.9	129.6	173.3	-173.2	-37.9	0	0	0	109.5	D552 A565 D566 Y567	D552-N563 WeakPolarHBondContact OD1-CA 3.38Å; D552-N563 PolarHBondContact OD1-OD1 3.28Å; N563-A565 PolarHBondContact O-N 3.37Å; N563-A565 VanDerWaalsContact OD1-CB 3.27Å; N563-A565 WeakPolarHBondContact OD1-CB 3.3Å; N563-A565 PolarHBondContact OD1-N 2.75Å; N563-D566 WeakPolarHBondContact O-CB 3.26Å; N563-D566 PolarHBondContact O-N 3.23Å; N563-Y567 VanDerWaalsContact O-CD2 3.29Å; N563-Y567 WeakPolarHBondContact O-CD2 3.22Å; N563-Y567 WeakPolarHBondContact O-CE2 3.28Å
564	S	96.8	Very high	94.2	Very high	16 Å²	16	55.1 Å²	55.1	11%	0.112	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-60.3	-33.1	-179.7	48.3	0	0	0	0	112.7	S551 D552 D566 Y567	S551-S564 WeakPolarHBondContact OG-CB 3.41Å; D552-S564 PolarHBondContact OD1-N 2.83Å; D552-S564 PolarHBondContact OD1-OG 3.49Å; D552-S564 WeakPolarHBondContact OD2-CB 3.19Å; D552-S564 PolarHBondContact OD2-OG 3.15Å; S564-D566 PolarHBondContact O-N 3.45Å; S564-D566 VanDerWaalsContact O-N 3.13Å; S564-Y567 PolarHBondContact O-N 3.25Å
565	A	96.9	Very high	94.4	Very high	51 Å²	51	57.3 Å²	57.3	42%	0.421	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-67.5	-12.1	-178.5	0	0	0	0	0	114	K438 N563	K438-A565 WeakPolarHBondContact CD-O 3.02Å; N563-A565 PolarHBondContact O-N 3.37Å; N563-A565 VanDerWaalsContact OD1-CB 3.27Å; N563-A565 WeakPolarHBondContact OD1-CB 3.3Å; N563-A565 PolarHBondContact OD1-N 2.75Å
566	D	97.9	Very high	94.8	Very high	90 Å²	90	56.9 Å²	56.9	48%	0.481	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-82.5	0.1	173.9	-66.1	-26.8	0	0	0	112.8	K438 N563 S564	K438-D566 VanDerWaalsContact CB-O 3.31Å; K438-D566 WeakPolarHBondContact CB-O 3.22Å; K438-D566 PolarHBondContact N-O 3.34Å; N563-D566 WeakPolarHBondContact O-CB 3.26Å; N563-D566 PolarHBondContact O-N 3.23Å; S564-D566 PolarHBondContact O-N 3.45Å; S564-D566 VanDerWaalsContact O-N 3.13Å
567	Y	98.4	Very high	95.3	Very high	17 Å²	17	55.8 Å²	55.8	7%	0.067	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	158.8	-179	-57.2	-87.5	0	0	0	111.3	V435 V436 K437 F529 L532 V533 V562 N563 S564	V435-Y567 HydrophobicContact CG1-CD1 4.2Å; V435-Y567 HydrophobicContact CG1-CG 4.36Å; V436-Y567 WeakPolarHBondContact O-CA 3.33Å; K437-Y567 HydrophobicContact CG-CD1 4.18Å; K437-Y567 HydrophobicContact CG-CE1 3.81Å; F529-Y567 AromaticContact CE2-CD1 3.9Å; F529-Y567 HydrophobicContact CE2-CD1 3.9Å; F529-Y567 HydrophobicContact CE2-CD2 4.38Å; F529-Y567 AromaticContact CE2-CE1 3.88Å; F529-Y567 HydrophobicContact CE2-CE1 3.88Å; F529-Y567 HydrophobicContact CE2-CE2 4.41Å; F529-Y567 HydrophobicContact CE2-CG 4.16Å; F529-Y567 HydrophobicContact CZ-CD1 4.39Å; F529-Y567 HydrophobicContact CZ-CD2 4.1Å; F529-Y567 HydrophobicContact CZ-CE1 4.25Å; F529-Y567 AromaticContact CZ-CE2 3.98Å; F529-Y567 HydrophobicContact CZ-CE2 3.98Å; F529-Y567 HydrophobicContact CZ-CG 4.32Å; L532-Y567 HydrophobicContact CD2-CD1 3.93Å; L532-Y567 HydrophobicContact CD2-CE1 4.06Å; L532-Y567 HydrophobicContact CG-CE1 4.2Å; V533-Y567 HydrophobicContact CG2-CE1 4.28Å; V533-Y567 VanDerWaalsContact CG2-OH 3.26Å; V533-Y567 WeakPolarHBondContact CG2-OH 3.48Å; V562-Y567 HydrophobicContact CG1-CE2 3.57Å; N563-Y567 VanDerWaalsContact O-CD2 3.29Å; N563-Y567 WeakPolarHBondContact O-CD2 3.22Å; N563-Y567 WeakPolarHBondContact O-CE2 3.28Å; S564-Y567 PolarHBondContact O-N 3.25Å
568	Q	98.3	Very high	95.5	Very high	29 Å²	29	53.4 Å²	53.4	14%	0.136	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	159.2	178.7	61.9	-174.2	-6.9	0	0	110.1	V435 V436 P576 V577	V435-Q568 WeakPolarHBondContact CA-O 3.33Å; V436-Q568 HydrophobicContact CG2-CG 3.47Å; V436-Q568 VanDerWaalsContact CG2-CG 3.47Å; V436-Q568 PolarHBondContact N-O 2.63Å; V436-Q568 PolarHBondContact O-N 2.79Å; Q568-P576 HydrophobicContact CB-CB 4.43Å; Q568-P576 HydrophobicContact CG-CB 3.96Å; Q568-P576 VanDerWaalsContact OE1-CB 3.24Å; Q568-V577 CarbonylContact C-O 3.51Å; Q568-V577 WeakPolarHBondContact CA-O 3.41Å; Q568-V577 VanDerWaalsContact CB-O 3.3Å; Q568-V577 WeakPolarHBondContact CB-O 3.17Å
569	L	98.5	Very high	95.7	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.016	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	146	176.9	-49.8	-179	0	0	0	110.5	V433 A434 V435 P576 V577 V579 F582 C585	V433-L569 HydrophobicContact CB-CD2 4.05Å; V433-L569 HydrophobicContact CG1-CD1 4.25Å; V433-L569 HydrophobicContact CG1-CD2 4.49Å; V433-L569 HydrophobicContact CG2-CD2 4.08Å; A434-L569 WeakPolarHBondContact O-CA 3.34Å; V435-L569 HydrophobicContact CG2-CD2 3.84Å; L569-P576 WeakPolarHBondContact O-CA 3.41Å; L569-V577 HydrophobicContact CB-CG2 4.03Å; L569-V577 PolarHBondContact N-O 3.35Å; L569-V577 PolarHBondContact O-N 3.42Å; L569-V579 HydrophobicContact CD2-CB 4.34Å; L569-V579 HydrophobicContact CD2-CG1 4Å; L569-V579 HydrophobicContact CG-CG1 4.39Å; L569-F582 VanDerWaalsContact CD1-CA 3.5Å; L569-F582 HydrophobicContact CD1-CB 3.69Å; L569-C585 HydrophobicContact CB-CB 4.49Å; L569-C585 WeakPolarHBondContact CD1-O 3.46Å
570	I	98	Very high	95.8	Very high	1 Å²	1	57 Å²	57	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	139.2	170.1	62.5	170.7	0	0	0	110	A434 V436 V442 L447 V539 P576	A434-I570 HydrophobicContact CB-CD1 4.26Å; A434-I570 HydrophobicContact CB-CG1 3.62Å; A434-I570 PolarHBondContact O-N 3.23Å; V436-I570 HydrophobicContact CG1-CD1 3.78Å; V436-I570 HydrophobicContact CG1-CG1 4.16Å; V436-I570 HydrophobicContact CG1-CG2 4.14Å; V436-I570 HydrophobicContact CG2-CG2 3.77Å; V442-I570 HydrophobicContact CG1-CD1 4.32Å; L447-I570 HydrophobicContact CD1-CD1 3.95Å; V539-I570 HydrophobicContact CG2-CD1 4.24Å; I570-P576 HydrophobicContact CG2-CB 4.23Å; I570-P576 HydrophobicContact CG2-CG 4.13Å
571	C	93.8	Very high	96	Very high	4 Å²	4	52.3 Å²	52.3	3%	0.027	33%	0.327	C	S	.	.			trans	-136.6	152.6	180	-62.9	0	0	0	0	111.4	W444 G573 K574 C585 H586	W444-C571 WeakPolarHBondContact CB-O 3.48Å; C571-G573 PolarHBondContact O-N 3.03Å; C571-K574 HydrophobicContact CB-CB 4.35Å; C571-K574 HydrophobicContact CB-CD 4.41Å; C571-K574 PolarHBondContact O-N 3.02Å; C571-C585 HydrophobicContact CB-CB 4.22Å; C571-C585 WeakPolarHBondContact CB-SG 3.16Å; C571-C585 WeakPolarHBondContact SG-CA 3.48Å; C571-C585 WeakPolarHBondContact SG-CB 3.27Å; C571-C585 CovalentContact SG-SG 2.03Å; C571-C585 PolarHBondContact SG-SG 3.08Å; C571-H586 PolarHBondContact SG-N 3.34Å
572	P	91.8	Very high	96.1	Very high	43 Å²	43	50.9 Å²	50.9	28%	0.279	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	125.4	174	-24.6	32.5	0	0	0	111.7	W444 K574 L587	W444-P572 HydrophobicContact CD2-CG 3.83Å; W444-P572 HydrophobicContact CE3-CG 4.37Å; W444-P572 HydrophobicContact CG-CB 4.28Å; W444-P572 HydrophobicContact CG-CG 4.1Å; W444-P572 HydrophobicContact CZ2-CG 4.25Å; P572-K574 VanDerWaalsContact C-N 3.29Å; P572-K574 PolarHBondContact O-N 3.43Å; P572-L587 HydrophobicContact CG-CD2 4.4Å
573	G	89.6	Confident	95.9	Very high	88 Å²	88	54.3 Å²	54.3	91%	0.907	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	11.9	174.8	0	0	0	0	0	116.2	C571	C571-G573 PolarHBondContact O-N 3.03Å
574	K	92.9	Very high	95.7	Very high	112 Å²	112	53.9 Å²	53.9	49%	0.487	32%	0.322	S	S	.	.	S	Bend	trans	-125.3	151	178.2	-60	-172.3	-178.3	-172	0	111.5	C571 P572 S584	C571-K574 HydrophobicContact CB-CB 4.35Å; C571-K574 HydrophobicContact CB-CD 4.41Å; C571-K574 PolarHBondContact O-N 3.02Å; P572-K574 VanDerWaalsContact C-N 3.29Å; P572-K574 PolarHBondContact O-N 3.43Å; K574-S584 PolarHBondContact NZ-O 2.85Å
575	D	94.1	Very high	95.7	Very high	136 Å²	136	53.2 Å²	53.2	73%	0.727	32%	0.317	S	S	*	.			trans	-67.2	155.9	165.6	-70.2	-38.2	0	0	0	110.5
576	P	96.6	Very high	95.7	Very high	40 Å²	40	52.5 Å²	52.5	26%	0.26	31%	0.305	S	S	.	.			trans	-59	138.8	176.8	-23.3	33.6	0	0	0	112.7	T443 Q568 L569 I570	T443-P576 HydrophobicContact CG2-CG 4.17Å; Q568-P576 HydrophobicContact CB-CB 4.43Å; Q568-P576 HydrophobicContact CG-CB 3.96Å; Q568-P576 VanDerWaalsContact OE1-CB 3.24Å; L569-P576 WeakPolarHBondContact O-CA 3.41Å; I570-P576 HydrophobicContact CG2-CB 4.23Å; I570-P576 HydrophobicContact CG2-CG 4.13Å
577	V	97.4	Very high	95.6	Very high	31 Å²	31	48.5 Å²	48.5	19%	0.188	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-123.9	159.5	-179.2	-57.8	0	0	0	0	111.8	Q568 L569 D581 C585	Q568-V577 CarbonylContact C-O 3.51Å; Q568-V577 WeakPolarHBondContact CA-O 3.41Å; Q568-V577 VanDerWaalsContact CB-O 3.3Å; Q568-V577 WeakPolarHBondContact CB-O 3.17Å; L569-V577 HydrophobicContact CB-CG2 4.03Å; L569-V577 PolarHBondContact N-O 3.35Å; L569-V577 PolarHBondContact O-N 3.42Å; V577-D581 HydrophobicContact CB-CB 4.18Å; V577-D581 HydrophobicContact CG2-CB 3.94Å; V577-C585 HydrophobicContact CG2-CB 3.31Å
578	P	97.6	Very high	95.4	Very high	68 Å²	68	47.7 Å²	47.7	44%	0.442	28%	0.28	S	S	.	.			trans	-53.5	155.1	171.6	-25	34.9	0	0	0	113.5	E580 D581	P578-E580 WeakPolarHBondContact CB-OE2 3.32Å; P578-E580 PolarHBondContact O-N 3.32Å; P578-D581 WeakPolarHBondContact CD-OD2 3.37Å; P578-D581 PolarHBondContact O-N 3.48Å; P578-D581 VanDerWaalsContact O-N 3.14Å
579	V	97	Very high	95.1	Very high	15 Å²	15	47.8 Å²	47.8	9%	0.091	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-67	-21.4	-176.2	-63.5	0	0	0	0	113.5	V547 L569 D581 F582	V547-V579 HydrophobicContact CG1-CG1 4.32Å; V547-V579 HydrophobicContact CG1-CG2 4.3Å; V547-V579 HydrophobicContact CG2-CG1 4.38Å; L569-V579 HydrophobicContact CD2-CB 4.34Å; L569-V579 HydrophobicContact CD2-CG1 4Å; L569-V579 HydrophobicContact CG-CG1 4.39Å; V579-D581 VanDerWaalsContact C-N 3.32Å; V579-F582 WeakPolarHBondContact O-CD1 3.32Å
580	E	96	Very high	94.7	Very high	116 Å²	116	47.7 Å²	47.7	54%	0.542	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-73.4	-23.7	176.7	-57.8	75	-164.8	0	0	112.4	P578 F582	P578-E580 WeakPolarHBondContact CB-OE2 3.32Å; P578-E580 PolarHBondContact O-N 3.32Å; E580-F582 VanDerWaalsContact O-CD1 3.31Å; E580-F582 WeakPolarHBondContact O-CD1 3.4Å; E580-F582 PolarHBondContact O-N 3.48Å; E580-F582 VanDerWaalsContact O-N 3.16Å
581	D	96.4	Very high	94.2	Very high	77 Å²	77	48.2 Å²	48.2	41%	0.412	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-84.9	20.5	-177	-72.6	-22.5	0	0	0	112.9	V577 P578 V579 V583 S584 C585	V577-D581 HydrophobicContact CB-CB 4.18Å; V577-D581 HydrophobicContact CG2-CB 3.94Å; P578-D581 WeakPolarHBondContact CD-OD2 3.37Å; P578-D581 PolarHBondContact O-N 3.48Å; P578-D581 VanDerWaalsContact O-N 3.14Å; V579-D581 VanDerWaalsContact C-N 3.32Å; D581-V583 PolarHBondContact O-N 2.76Å; D581-V583 VanDerWaalsContact O-N 3.12Å; D581-S584 WeakPolarHBondContact O-CA 3.28Å; D581-S584 PolarHBondContact O-N 2.83Å; D581-S584 PolarHBondContact O-OG 2.85Å; D581-C585 PolarHBondContact O-N 2.94Å
582	F	95.5	Very high	94	Very high	48 Å²	48	48 Å²	48	21%	0.211	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-56.2	-30	-176.4	61.4	-98	0	0	0	113.9	Y431 V433 H544 L569 V579 E580 S584 C585 H586	Y431-F582 AromaticContact CD2-CD2 3.36Å; Y431-F582 HydrophobicContact CD2-CD2 3.36Å; Y431-F582 AromaticContact CD2-CE2 3.5Å; Y431-F582 HydrophobicContact CD2-CE2 3.5Å; Y431-F582 VanDerWaalsContact CD2-CE2 3.5Å; Y431-F582 AromaticContact CE2-CD2 3.92Å; Y431-F582 HydrophobicContact CE2-CD2 3.92Å; Y431-F582 AromaticContact CE2-CE2 3.7Å; Y431-F582 HydrophobicContact CE2-CE2 3.7Å; Y431-F582 AromaticContact CG-CD2 3.86Å; Y431-F582 HydrophobicContact CG-CD2 3.86Å; Y431-F582 HydrophobicContact CG-CE2 4.43Å; V433-F582 HydrophobicContact CG1-CB 4.18Å; H544-F582 HydrophobicContact CB-CB 3.61Å; H544-F582 HydrophobicContact CB-CD1 4Å; H544-F582 HydrophobicContact CB-CD2 3.94Å; H544-F582 HydrophobicContact CB-CG 3.57Å; H544-F582 AromaticContact CD2-CD1 3.73Å; H544-F582 AromaticContact CD2-CD2 3.55Å; H544-F582 AromaticContact CD2-CE1 3.59Å; H544-F582 AromaticContact CD2-CE2 3.39Å; H544-F582 WeakPolarHBondContact CD2-CE2 3.43Å; H544-F582 AromaticContact CD2-CG 3.73Å; H544-F582 AromaticContact CD2-CZ 3.41Å; H544-F582 VanDerWaalsContact CD2-CZ 3.41Å; H544-F582 WeakPolarHBondContact CD2-CZ 3.28Å; H544-F582 AromaticContact CG-CD2 3.7Å; H544-F582 AromaticContact CG-CE2 4Å; H544-F582 AromaticContact CG-CG 3.81Å; H544-F582 AromaticContact NE2-CE2 3.78Å; H544-F582 AromaticContact NE2-CZ 3.89Å; L569-F582 VanDerWaalsContact CD1-CA 3.5Å; L569-F582 HydrophobicContact CD1-CB 3.69Å; V579-F582 WeakPolarHBondContact O-CD1 3.32Å; E580-F582 VanDerWaalsContact O-CD1 3.31Å; E580-F582 WeakPolarHBondContact O-CD1 3.4Å; E580-F582 PolarHBondContact O-N 3.48Å; E580-F582 VanDerWaalsContact O-N 3.16Å; F582-S584 PolarHBondContact O-N 2.67Å; F582-C585 WeakPolarHBondContact CA-O 3.23Å; F582-C585 CarbonylContact O-C 3.56Å; F582-C585 PolarHBondContact O-N 2.87Å; F582-C585 VanDerWaalsContact O-O 3.13Å; F582-H586 WeakPolarHBondContact O-CB 3.39Å; F582-H586 PolarHBondContact O-ND1 3.09Å
583	V	93.3	Very high	94	Very high	85 Å²	85	47.4 Å²	47.4	52%	0.515	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-64.3	-35	175.7	-178	0	0	0	0	110.7	Y431 D581 H586	Y431-V583 HydrophobicContact CE2-CG2 4.25Å; D581-V583 PolarHBondContact O-N 2.76Å; D581-V583 VanDerWaalsContact O-N 3.12Å; V583-H586 PolarHBondContact O-CE1 3.23Å; V583-H586 PolarHBondContact O-ND1 2.62Å; V583-H586 VanDerWaalsContact O-ND1 3.1Å
584	S	94	Very high	94.3	Very high	62 Å²	62	43.2 Å²	43.2	43%	0.434	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-24.7	176.3	80.4	0	0	0	0	112.8	K574 D581 F582	K574-S584 PolarHBondContact NZ-O 2.85Å; D581-S584 WeakPolarHBondContact O-CA 3.28Å; D581-S584 PolarHBondContact O-N 2.83Å; D581-S584 PolarHBondContact O-OG 2.85Å; F582-S584 PolarHBondContact O-N 2.67Å
585	C	96	Very high	94.5	Very high	1 Å²	1	38 Å²	38	1%	0.007	22%	0.215	C	C	.	.	S	Bend	trans	-130.9	95.4	-179.6	-176.8	0	0	0	0	111.1	L569 C571 V577 D581 F582	L569-C585 HydrophobicContact CB-CB 4.49Å; L569-C585 WeakPolarHBondContact CD1-O 3.46Å; C571-C585 HydrophobicContact CB-CB 4.22Å; C571-C585 WeakPolarHBondContact CB-SG 3.16Å; C571-C585 WeakPolarHBondContact SG-CA 3.48Å; C571-C585 WeakPolarHBondContact SG-CB 3.27Å; C571-C585 CovalentContact SG-SG 2.03Å; C571-C585 PolarHBondContact SG-SG 3.08Å; V577-C585 HydrophobicContact CG2-CB 3.31Å; D581-C585 PolarHBondContact O-N 2.94Å; F582-C585 WeakPolarHBondContact CA-O 3.23Å; F582-C585 CarbonylContact O-C 3.56Å; F582-C585 PolarHBondContact O-N 2.87Å; F582-C585 VanDerWaalsContact O-O 3.13Å
586	H	96.4	Very high	94.7	Very high	37 Å²	37	31.5 Å²	31.5	17%	0.171	18%	0.181	C	C	.	.			trans	-143	168.5	170.6	53.7	-91.8	0	0	0	110.9	Y431 A432 V433 C571 F582 V583 E661	Y431-H586 HydrophobicContact CD1-CB 4.07Å; Y431-H586 AromaticContact CD1-CD2 3.88Å; Y431-H586 AromaticContact CD1-CE1 3.73Å; Y431-H586 AromaticContact CD1-CG 3.56Å; Y431-H586 AromaticContact CD1-ND1 3.47Å; Y431-H586 WeakPolarHBondContact CD1-ND1 3.38Å; Y431-H586 AromaticContact CD1-NE2 3.97Å; Y431-H586 AromaticContact CE1-CE1 3.77Å; Y431-H586 AromaticContact CE1-ND1 3.9Å; Y431-H586 HydrophobicContact CG-CB 4.42Å; A432-H586 WeakPolarHBondContact O-CB 3.42Å; V433-H586 HydrophobicContact CG1-CB 4.14Å; C571-H586 PolarHBondContact SG-N 3.34Å; F582-H586 WeakPolarHBondContact O-CB 3.39Å; F582-H586 PolarHBondContact O-ND1 3.09Å; V583-H586 PolarHBondContact O-CE1 3.23Å; V583-H586 PolarHBondContact O-ND1 2.62Å; V583-H586 VanDerWaalsContact O-ND1 3.1Å; H586-E661 IonicContact CD2-OE2 3.09Å; H586-E661 IonicContact NE2-OE2 2.75Å; H586-E661 PolarHBondContact NE2-OE2 2.74Å
587	L	95.9	Very high	94.7	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.031	17%	0.168	C	C	.	.	S	Bend	trans	-89.2	-36.1	176.1	-55.9	-177.5	0	0	0	112.1	A432 A434 W444 I465 P466 H469 F541 P572	A432-L587 PolarHBondContact O-N 2.93Å; A434-L587 HydrophobicContact CB-CD1 4.3Å; W444-L587 HydrophobicContact CE3-CD2 3.99Å; W444-L587 HydrophobicContact CH2-CD1 4.3Å; W444-L587 HydrophobicContact CH2-CD2 3.92Å; W444-L587 HydrophobicContact CZ3-CD1 4.04Å; W444-L587 HydrophobicContact CZ3-CD2 3.43Å; W444-L587 VanDerWaalsContact CZ3-CD2 3.43Å; W444-L587 HydrophobicContact CZ3-CG 4.39Å; I465-L587 HydrophobicContact CG2-CB 3.46Å; I465-L587 VanDerWaalsContact CG2-CB 3.46Å; I465-L587 HydrophobicContact CG2-CD1 4.35Å; P466-L587 HydrophobicContact CB-CD1 4.1Å; H469-L587 PolarHBondContact NE2-O 2.9Å; F541-L587 HydrophobicContact CD1-CD1 4.02Å; F541-L587 HydrophobicContact CE1-CD1 4.27Å; P572-L587 HydrophobicContact CG-CD2 4.4Å
588	A	94.5	Very high	94.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	147.9	167.7	0	0	0	0	0	109.7	A432 I465 E661	A432-A588 PolarHBondContact N-O 2.88Å; I465-A588 HydrophobicContact CD1-CB 3.98Å; I465-A588 HydrophobicContact CG1-CB 4.31Å; I465-A588 HydrophobicContact CG2-CB 4.05Å; A588-E661 HydrophobicContact CB-CB 4.16Å
589	A	92.1	Very high	94.3	Very high	31 Å²	31	29.6 Å²	29.6	26%	0.256	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	134.4	159.1	0	0	0	0	0	109.9	Y431 E661	Y431-A589 HydrophobicContact CD1-CB 4.04Å; Y431-A589 HydrophobicContact CE1-CB 3.88Å; A589-E661 PolarHBondContact N-OE2 2.77Å
590	V	89.6	Confident	93.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.7	177.7	-170.7	0	0	0	0	108.2	S429 Y430 A432 T460 I465 Y662	S429-V590 CarbonylContact C-O 3.17Å; S429-V590 VanDerWaalsContact CA-O 3.28Å; S429-V590 WeakPolarHBondContact CA-O 3.18Å; S429-V590 WeakPolarHBondContact CB-O 3.32Å; Y430-V590 HydrophobicContact CD1-CB 4.23Å; Y430-V590 HydrophobicContact CD2-CB 4.17Å; Y430-V590 HydrophobicContact CD2-CG2 4.42Å; Y430-V590 HydrophobicContact CE1-CB 3.83Å; Y430-V590 HydrophobicContact CE1-CG1 3.79Å; Y430-V590 HydrophobicContact CE2-CB 3.75Å; Y430-V590 HydrophobicContact CE2-CG1 4.26Å; Y430-V590 HydrophobicContact CE2-CG2 3.87Å; Y430-V590 HydrophobicContact CG-CB 4.42Å; Y430-V590 PolarHBondContact N-O 2.96Å; Y430-V590 PolarHBondContact O-N 2.92Å; A432-V590 HydrophobicContact CB-CG2 4.48Å; T460-V590 HydrophobicContact CG2-CB 4.37Å; T460-V590 HydrophobicContact CG2-CG1 3.72Å; T460-V590 HydrophobicContact CG2-CG2 3.8Å; I465-V590 HydrophobicContact CD1-CG2 3.51Å; V590-Y662 HydrophobicContact CG2-CD2 4.12Å; V590-Y662 HydrophobicContact CG2-CE2 4.44Å
591	P	88.7	Confident	93.6	Very high	13 Å²	13	29 Å²	29	8%	0.084	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	154.8	173.7	-24.1	32.7	0	0	0	112.2	F657 L658	P591-F657 HydrophobicContact CB-CD1 4.39Å; P591-F657 HydrophobicContact CB-CE1 3.61Å; P591-F657 HydrophobicContact CB-CE2 4.17Å; P591-F657 HydrophobicContact CB-CZ 3.47Å; P591-F657 VanDerWaalsContact CB-CZ 3.47Å; P591-F657 HydrophobicContact CG-CD1 4.32Å; P591-F657 HydrophobicContact CG-CE1 4Å; P591-F657 HydrophobicContact CG-CZ 4.22Å; P591-F657 WeakPolarHBondContact CG-O 3.14Å; P591-L658 HydrophobicContact CG-CD2 4.42Å
592	A	89.5	Confident	93.5	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-58.5	172.9	170.6	0	0	0	0	0	111.9	V412 E413 Y415 S428 A594	V412-A592 HydrophobicContact CG2-CB 4.03Å; E413-A592 HydrophobicContact CB-CB 4.4Å; E413-A592 WeakPolarHBondContact O-CB 3.33Å; Y415-A592 HydrophobicContact CD2-CB 4.48Å; Y415-A592 HydrophobicContact CE2-CB 3.65Å; S428-A592 WeakPolarHBondContact O-CB 3.28Å; S428-A592 PolarHBondContact O-N 2.95Å; A592-A594 PolarHBondContact O-N 3.34Å
593	H	91.2	Very high	93.5	Very high	29 Å²	29	28.9 Å²	28.9	13%	0.134	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-57.9	140	177	-74.4	-141.8	0	0	0	110.4	V394 D395 E413 K639	V394-H593 CarbonylContact O-C 3.56Å; V394-H593 WeakPolarHBondContact O-CA 3.3Å; V394-H593 WeakPolarHBondContact O-CB 3.48Å; D395-H593 IonicContact OD1-CD2 3Å; D395-H593 IonicContact OD1-NE2 3.99Å; E413-H593 HydrophobicContact CG-CB 4.08Å; E413-H593 PolarHBondContact N-O 3.03Å; E413-H593 WeakPolarHBondContact OE2-CB 3.41Å; E413-H593 IonicContact OE2-CG 3.99Å; H593-K639 WeakPolarHBondContact CE1-CE 3.47Å; H593-K639 WeakPolarHBondContact NE2-CE 3.48Å
594	A	95.1	Very high	93.6	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.2	-178.7	0	0	0	0	0	111.2	A393 V394 V399 P409 M411 A592 F657	A393-A594 CarbonylContact C-O 3.6Å; A393-A594 WeakPolarHBondContact CA-O 3.44Å; V394-A594 PolarHBondContact N-O 3.29Å; V394-A594 PolarHBondContact O-N 3.25Å; V399-A594 HydrophobicContact CG2-CB 3.79Å; P409-A594 HydrophobicContact CB-CB 4.45Å; M411-A594 CarbonylContact O-C 3.57Å; M411-A594 WeakPolarHBondContact O-CA 3.37Å; M411-A594 WeakPolarHBondContact O-CB 3.47Å; A592-A594 PolarHBondContact O-N 3.34Å; A594-F657 HydrophobicContact CB-CE1 3.84Å; A594-F657 HydrophobicContact CB-CE2 4.45Å; A594-F657 HydrophobicContact CB-CZ 3.64Å
595	V	97.8	Very high	93.7	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	119.7	165.6	-176.2	0	0	0	0	108.2	W343 A391 M392 A393 A410 M411 V605 L609 F638	W343-V595 HydrophobicContact CH2-CG1 3.89Å; W343-V595 HydrophobicContact CH2-CG2 3.88Å; W343-V595 HydrophobicContact CZ3-CG1 3.97Å; A391-V595 HydrophobicContact CB-CG1 3.9Å; M392-V595 CarbonylContact O-C 3.56Å; M392-V595 VanDerWaalsContact O-CA 3.28Å; M392-V595 WeakPolarHBondContact O-CA 3.25Å; A393-V595 HydrophobicContact CB-CG2 4.27Å; A410-V595 PolarHBondContact N-O 2.9Å; M411-V595 HydrophobicContact CB-CB 4.18Å; M411-V595 HydrophobicContact CB-CG2 4.09Å; M411-V595 PolarHBondContact O-N 2.86Å; V595-V605 HydrophobicContact CG1-CG1 4.1Å; V595-L609 HydrophobicContact CB-CD1 4.35Å; V595-L609 HydrophobicContact CG1-CD1 3.91Å; V595-L609 HydrophobicContact CG2-CD1 4.01Å; V595-F638 HydrophobicContact CG2-CE1 4.01Å
596	V	98.1	Very high	93.7	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	145.1	174.3	-63.4	0	0	0	0	110.5	F381 A391 M392 V394 V399 A402 V408	F381-V596 HydrophobicContact CD1-CG2 4.33Å; F381-V596 HydrophobicContact CE1-CG2 3.66Å; F381-V596 HydrophobicContact CZ-CG2 4.46Å; A391-V596 WeakPolarHBondContact CA-O 3.45Å; M392-V596 HydrophobicContact CG-CG2 4Å; M392-V596 PolarHBondContact N-O 2.77Å; M392-V596 PolarHBondContact O-N 2.83Å; V394-V596 HydrophobicContact CG1-CG2 4.5Å; V394-V596 HydrophobicContact CG2-CB 4.47Å; V394-V596 HydrophobicContact CG2-CG1 3.74Å; V394-V596 HydrophobicContact CG2-CG2 3.89Å; V399-V596 HydrophobicContact CB-CG1 4.48Å; V399-V596 HydrophobicContact CG1-CG1 4.33Å; V399-V596 HydrophobicContact CG2-CG1 4.08Å; A402-V596 HydrophobicContact CB-CB 4.21Å; A402-V596 HydrophobicContact CB-CG1 4.03Å; A402-V596 HydrophobicContact CB-CG2 4.18Å; V408-V596 WeakPolarHBondContact O-CA 3.44Å
597	T	97.3	Very high	93.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	176.3	-177.5	-170.8	0	0	0	0	111	D390 L407 V408 A410 V601 R602 V605	D390-T597 VanDerWaalsContact O-CB 3.32Å; D390-T597 WeakPolarHBondContact O-CB 3.46Å; D390-T597 PolarHBondContact O-OG1 2.86Å; L407-T597 CarbonylContact C-O 3.48Å; L407-T597 WeakPolarHBondContact CA-O 3.24Å; L407-T597 WeakPolarHBondContact CB-O 3.21Å; V408-T597 HydrophobicContact CG2-CG2 4.36Å; V408-T597 PolarHBondContact N-O 2.89Å; V408-T597 PolarHBondContact O-N 3.15Å; A410-T597 HydrophobicContact CB-CG2 3.7Å; T597-V601 WeakPolarHBondContact OG1-CG2 3.42Å; T597-R602 HydrophobicContact CG2-CB 4.05Å; T597-R602 HydrophobicContact CG2-CG 4.2Å; T597-V605 HydrophobicContact CG2-CG2 4.47Å
598	R	93.8	Very high	93.7	Very high	16 Å²	16	28.8 Å²	28.8	6%	0.06	15%	0.149	C	C	.	.			trans	-79	149.9	171.8	-61	-176.8	-60	-77.5	-3.8	110.9	I384 A389 D390 L407 D600 V601 R602	I384-R598 HydrophobicContact CG2-CG 3.86Å; I384-R598 VanDerWaalsContact O-CD 3.29Å; I384-R598 WeakPolarHBondContact O-CD 3.42Å; I384-R598 PolarHBondContact O-NH1 3.45Å; A389-R598 PolarHBondContact O-NH1 3.33Å; D390-R598 IonicContact OD1-CZ 2.87Å; D390-R598 IonicContact OD1-NH1 2.96Å; D390-R598 PolarHBondContact OD1-NH1 3.5Å; D390-R598 IonicContact OD1-NH2 3.69Å; D390-R598 PolarHBondContact OD1-NH2 2.9Å; L407-R598 HydrophobicContact CD2-CG 3.98Å; R598-D600 VanDerWaalsContact C-N 3.26Å; R598-D600 WeakPolarHBondContact CB-OD1 3.44Å; R598-D600 IonicContact CZ-OD1 3.86Å; R598-D600 IonicContact NE-OD1 2.87Å; R598-D600 PolarHBondContact NE-OD1 3.45Å; R598-D600 IonicContact NE-OD2 2.85Å; R598-D600 PolarHBondContact O-N 3.44Å; R598-V601 HydrophobicContact CB-CG2 4.23Å; R598-V601 PolarHBondContact O-N 3.34Å; R598-R602 PolarHBondContact O-N 3Å
599	P	91.4	Very high	93.8	Very high	83 Å²	83	28.8 Å²	28.8	54%	0.539	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-54.4	-38.7	175.8	-26.4	34.1	0	0	0	114.1	V408 V601 R602	V408-P599 HydrophobicContact CG1-CG 4.01Å; V408-P599 HydrophobicContact CG2-CG 4.31Å; P599-V601 VanDerWaalsContact C-N 3.32Å; P599-V601 PolarHBondContact O-N 3.18Å; P599-R602 PolarHBondContact O-N 2.87Å
600	D	87	Confident	93.9	Very high	95 Å²	95	31 Å²	31	51%	0.508	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-68.5	-23.4	-174.5	66.8	-27.7	0	0	0	114.4	K387 R598	K387-D600 IonicContact NZ-OD2 3.7Å; K387-D600 PolarHBondContact NZ-OD2 3.01Å; K387-D600 VanDerWaalsContact NZ-OD2 3.09Å; R598-D600 VanDerWaalsContact C-N 3.26Å; R598-D600 WeakPolarHBondContact CB-OD1 3.44Å; R598-D600 IonicContact CZ-OD1 3.86Å; R598-D600 IonicContact NE-OD1 2.87Å; R598-D600 PolarHBondContact NE-OD1 3.45Å; R598-D600 IonicContact NE-OD2 2.85Å; R598-D600 PolarHBondContact O-N 3.44Å
601	V	92.1	Very high	94.1	Very high	23 Å²	23	34 Å²	34	14%	0.139	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-117.3	8.1	-179.7	-60.4	0	0	0	0	113.7	D390 T597 R598 P599 D603 K604 V605	D390-V601 HydrophobicContact CB-CG2 4.49Å; T597-V601 WeakPolarHBondContact OG1-CG2 3.42Å; R598-V601 HydrophobicContact CB-CG2 4.23Å; R598-V601 PolarHBondContact O-N 3.34Å; P599-V601 VanDerWaalsContact C-N 3.32Å; P599-V601 PolarHBondContact O-N 3.18Å; V601-D603 PolarHBondContact O-N 3.1Å; V601-K604 WeakPolarHBondContact O-CB 3.48Å; V601-K604 PolarHBondContact O-N 3.1Å; V601-V605 HydrophobicContact CG2-CG2 4.38Å; V601-V605 WeakPolarHBondContact O-CG2 3.47Å; V601-V605 PolarHBondContact O-N 2.96Å
602	R	94.9	Very high	94.5	Very high	14 Å²	14	33.4 Å²	33.4	5%	0.053	17%	0.166	C	C	.	.	H	α-helix	trans	-53.5	-53.2	-175.5	-177.7	-164.1	165.2	-75	-6.6	112.4	V408 A410 T597 R598 P599 K604 V605 V606 E647 V648	V408-R602 HydrophobicContact CG2-CG 4.46Å; A410-R602 HydrophobicContact CB-CG 4.05Å; T597-R602 HydrophobicContact CG2-CB 4.05Å; T597-R602 HydrophobicContact CG2-CG 4.2Å; R598-R602 PolarHBondContact O-N 3Å; P599-R602 PolarHBondContact O-N 2.87Å; R602-K604 VanDerWaalsContact C-N 3.28Å; R602-K604 PolarHBondContact O-N 3.01Å; R602-V605 WeakPolarHBondContact O-CB 3.47Å; R602-V605 PolarHBondContact O-N 3.42Å; R602-V605 VanDerWaalsContact O-N 3.13Å; R602-V606 WeakPolarHBondContact O-CG2 3.3Å; R602-V606 PolarHBondContact O-N 2.65Å; R602-E647 IonicContact CZ-OE1 2.99Å; R602-E647 IonicContact NH1-OE1 3.53Å; R602-E647 PolarHBondContact NH1-OE1 3.45Å; R602-E647 IonicContact NH2-OE1 3.05Å; R602-E647 PolarHBondContact NH2-OE1 3.27Å; R602-V648 PolarHBondContact NH2-O 3.08Å
603	D	95	Very high	94.7	Very high	108 Å²	108	35.1 Å²	35.1	58%	0.578	17%	0.174	S	C	*	.	H	α-helix	trans	-66.8	-33.9	-174	-64.5	-13.8	0	0	0	111.7	V601 R607	V601-D603 PolarHBondContact O-N 3.1Å; D603-R607 VanDerWaalsContact O-CB 3.32Å; D603-R607 WeakPolarHBondContact O-CB 3.26Å; D603-R607 PolarHBondContact O-N 3.3Å
604	K	94.6	Very high	94.8	Very high	32 Å²	32	38.4 Å²	38.4	14%	0.139	20%	0.196	C	C	.	.	H	α-helix	trans	-63.7	-45.9	172.1	176.3	-177.2	166.1	-167.9	0	111.4	S338 S340 I341 V601 R602 R607 I608	S338-K604 WeakPolarHBondContact O-CE 3.35Å; S338-K604 PolarHBondContact O-NZ 3.12Å; S340-K604 WeakPolarHBondContact O-CE 3.37Å; S340-K604 PolarHBondContact O-NZ 2.87Å; I341-K604 HydrophobicContact CG2-CG 4.36Å; V601-K604 WeakPolarHBondContact O-CB 3.48Å; V601-K604 PolarHBondContact O-N 3.1Å; R602-K604 VanDerWaalsContact C-N 3.28Å; R602-K604 PolarHBondContact O-N 3.01Å; K604-R607 PolarHBondContact O-N 3.19Å; K604-I608 HydrophobicContact CG-CD1 3.79Å; K604-I608 WeakPolarHBondContact O-CG1 3.47Å; K604-I608 PolarHBondContact O-N 3.25Å
605	V	96.9	Very high	94.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-49	176.5	168.8	0	0	0	0	110.8	I341 A391 A410 V595 T597 V601 R602 R607 I608 L609	I341-V605 HydrophobicContact CG2-CG2 3.97Å; A391-V605 HydrophobicContact CB-CG1 3.89Å; A391-V605 HydrophobicContact CB-CG2 4.06Å; A410-V605 HydrophobicContact CB-CG1 4.41Å; V595-V605 HydrophobicContact CG1-CG1 4.1Å; T597-V605 HydrophobicContact CG2-CG2 4.47Å; V601-V605 HydrophobicContact CG2-CG2 4.38Å; V601-V605 WeakPolarHBondContact O-CG2 3.47Å; V601-V605 PolarHBondContact O-N 2.96Å; R602-V605 WeakPolarHBondContact O-CB 3.47Å; R602-V605 PolarHBondContact O-N 3.42Å; R602-V605 VanDerWaalsContact O-N 3.13Å; V605-R607 PolarHBondContact O-N 3Å; V605-I608 PolarHBondContact O-N 2.72Å; V605-L609 HydrophobicContact CG1-CD1 3.72Å; V605-L609 HydrophobicContact CG1-CG 4.33Å; V605-L609 WeakPolarHBondContact O-CB 3.43Å; V605-L609 VanDerWaalsContact O-CG 3.29Å; V605-L609 WeakPolarHBondContact O-CG 3.31Å; V605-L609 PolarHBondContact O-N 3.47Å
606	V	96.6	Very high	94.7	Very high	5 Å²	5	41 Å²	41	3%	0.03	21%	0.207	C	C	.	.	H	α-helix	trans	-57.6	-51.3	178.5	171.7	0	0	0	0	110.9	A410 M411 R602 I608 L609 Q610 E647	A410-V606 HydrophobicContact CB-CG2 4.01Å; M411-V606 HydrophobicContact CG-CG2 4.08Å; R602-V606 WeakPolarHBondContact O-CG2 3.3Å; R602-V606 PolarHBondContact O-N 2.65Å; V606-I608 PolarHBondContact O-N 2.86Å; V606-L609 PolarHBondContact O-N 2.96Å; V606-Q610 HydrophobicContact CG1-CG 4.41Å; V606-Q610 WeakPolarHBondContact O-CB 3.47Å; V606-Q610 WeakPolarHBondContact O-CG 3.14Å; V606-Q610 PolarHBondContact O-N 3.1Å; V606-E647 HydrophobicContact CG1-CB 4.12Å; V606-E647 HydrophobicContact CG1-CG 3.83Å; V606-E647 HydrophobicContact CG2-CG 4.19Å
607	R	95.9	Very high	94.4	Very high	147 Å²	147	41.1 Å²	41.1	56%	0.555	21%	0.209	S	C	*	.	H	α-helix	trans	-57.8	-46.1	-179.2	-178.8	-178.2	63.5	81.2	1.1	112.2	D603 K604 V605 Q610 D611	D603-R607 VanDerWaalsContact O-CB 3.32Å; D603-R607 WeakPolarHBondContact O-CB 3.26Å; D603-R607 PolarHBondContact O-N 3.3Å; K604-R607 PolarHBondContact O-N 3.19Å; V605-R607 PolarHBondContact O-N 3Å; R607-Q610 PolarHBondContact O-N 3.06Å; R607-D611 PolarHBondContact O-N 2.95Å; R607-D611 VanDerWaalsContact O-N 3.17Å
608	I	95.7	Very high	94	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-67.9	-43.8	-178.9	-71.9	165	0	0	0	110.4	T339 I341 V369 K604 V605 V606 Q610 D611 Q612	T339-I608 WeakPolarHBondContact O-CD1 3.26Å; I341-I608 HydrophobicContact CB-CD1 4.46Å; I341-I608 HydrophobicContact CD1-CB 4.43Å; I341-I608 HydrophobicContact CD1-CG2 3.91Å; I341-I608 HydrophobicContact CG1-CG2 3.95Å; I341-I608 HydrophobicContact CG2-CB 4.25Å; I341-I608 HydrophobicContact CG2-CD1 3.44Å; I341-I608 VanDerWaalsContact CG2-CD1 3.44Å; I341-I608 HydrophobicContact CG2-CG1 4.41Å; I341-I608 HydrophobicContact CG2-CG2 4.41Å; V369-I608 HydrophobicContact CG2-CG2 4.32Å; K604-I608 HydrophobicContact CG-CD1 3.79Å; K604-I608 WeakPolarHBondContact O-CG1 3.47Å; K604-I608 PolarHBondContact O-N 3.25Å; V605-I608 PolarHBondContact O-N 2.72Å; V606-I608 PolarHBondContact O-N 2.86Å; I608-Q610 VanDerWaalsContact C-N 3.32Å; I608-Q610 PolarHBondContact O-N 3.17Å; I608-D611 PolarHBondContact O-N 3.46Å; I608-Q612 HydrophobicContact CG2-CG 4.06Å; I608-Q612 WeakPolarHBondContact O-CB 3.33Å; I608-Q612 WeakPolarHBondContact O-CG 3.47Å; I608-Q612 PolarHBondContact O-N 3.41Å
609	L	96.7	Very high	93.6	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.7	-33.3	178.2	-70.6	177.4	0	0	0	113.3	I341 W343 W357 M411 V595 V605 V606 Q613 M627 L645	I341-L609 HydrophobicContact CD1-CD2 4.12Å; I341-L609 HydrophobicContact CD1-CG 4.26Å; W343-L609 HydrophobicContact CE3-CD2 4.44Å; W343-L609 HydrophobicContact CH2-CD1 4.5Å; W343-L609 HydrophobicContact CH2-CD2 4.42Å; W343-L609 HydrophobicContact CZ3-CD1 4.03Å; W343-L609 HydrophobicContact CZ3-CD2 3.79Å; W343-L609 HydrophobicContact CZ3-CG 4.44Å; W357-L609 HydrophobicContact CH2-CD2 3.6Å; W357-L609 HydrophobicContact CZ2-CD2 4.01Å; M411-L609 HydrophobicContact CG-CD1 4.26Å; M411-L609 HydrophobicContact SD-CB 3.44Å; M411-L609 WeakPolarHBondContact SD-CB 3.27Å; M411-L609 HydrophobicContact SD-CD1 3.74Å; M411-L609 HydrophobicContact SD-CG 4.26Å; V595-L609 HydrophobicContact CB-CD1 4.35Å; V595-L609 HydrophobicContact CG1-CD1 3.91Å; V595-L609 HydrophobicContact CG2-CD1 4.01Å; V605-L609 HydrophobicContact CG1-CD1 3.72Å; V605-L609 HydrophobicContact CG1-CG 4.33Å; V605-L609 WeakPolarHBondContact O-CB 3.43Å; V605-L609 VanDerWaalsContact O-CG 3.29Å; V605-L609 WeakPolarHBondContact O-CG 3.31Å; V605-L609 PolarHBondContact O-N 3.47Å; V606-L609 PolarHBondContact O-N 2.96Å; L609-Q613 WeakPolarHBondContact O-CB 3.41Å; L609-Q613 WeakPolarHBondContact O-CG 3.24Å; L609-Q613 PolarHBondContact O-N 3.48Å; L609-M627 HydrophobicContact CD2-CE 4.43Å; L609-L645 HydrophobicContact CB-CD1 4.39Å; L609-L645 HydrophobicContact CD1-CD1 4.38Å
610	Q	95	Very high	93.3	Very high	79 Å²	79	45.5 Å²	45.5	37%	0.369	23%	0.233	S	C	.	.	H	α-helix	trans	-61.8	-48.8	171.3	-75.9	172.9	-13.4	0	0	111.5	M411 V606 R607 I608 Q612 Q613 T614	M411-Q610 HydrophobicContact CE-CG 3.99Å; V606-Q610 HydrophobicContact CG1-CG 4.41Å; V606-Q610 WeakPolarHBondContact O-CB 3.47Å; V606-Q610 WeakPolarHBondContact O-CG 3.14Å; V606-Q610 PolarHBondContact O-N 3.1Å; R607-Q610 PolarHBondContact O-N 3.06Å; I608-Q610 VanDerWaalsContact C-N 3.32Å; I608-Q610 PolarHBondContact O-N 3.17Å; Q610-Q612 PolarHBondContact O-N 2.96Å; Q610-Q613 WeakPolarHBondContact O-CG 3.49Å; Q610-Q613 PolarHBondContact O-N 2.98Å; Q610-T614 PolarHBondContact O-N 3.45Å; Q610-T614 VanDerWaalsContact O-N 3.13Å; Q610-T614 PolarHBondContact O-OG1 3.46Å; Q610-T614 VanDerWaalsContact O-OG1 3.08Å
611	D	94.1	Very high	93.1	Very high	63 Å²	63	46 Å²	46	34%	0.337	25%	0.245	S	C	.	.	H	α-helix	trans	-60.2	-46.1	175.1	173	75.3	0	0	0	112	R607 I608 Q613 T614 K615	R607-D611 PolarHBondContact O-N 2.95Å; R607-D611 VanDerWaalsContact O-N 3.17Å; I608-D611 PolarHBondContact O-N 3.46Å; D611-Q613 PolarHBondContact O-N 2.78Å; D611-T614 PolarHBondContact O-N 2.97Å; D611-K615 VanDerWaalsContact CG-NZ 3.31Å; D611-K615 PolarHBondContact O-N 3.16Å; D611-K615 VanDerWaalsContact OD1-CE 3.31Å; D611-K615 WeakPolarHBondContact OD1-CE 3.35Å; D611-K615 IonicContact OD1-NZ 2.91Å; D611-K615 PolarHBondContact OD1-NZ 3.13Å; D611-K615 IonicContact OD2-NZ 2.94Å; D611-K615 PolarHBondContact OD2-NZ 2.61Å
612	Q	95.3	Very high	92.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.5	-39.9	-178.1	-66.9	-61	-70.5	0	0	112.2	W357 S361 V369 I608 Q610 K615 F616 M627	W357-Q612 HydrophobicContact CZ2-CB 3.91Å; W357-Q612 HydrophobicContact CZ2-CG 4.04Å; S361-Q612 VanDerWaalsContact CB-OE1 3.24Å; V369-Q612 HydrophobicContact CG2-CG 4.1Å; I608-Q612 HydrophobicContact CG2-CG 4.06Å; I608-Q612 WeakPolarHBondContact O-CB 3.33Å; I608-Q612 WeakPolarHBondContact O-CG 3.47Å; I608-Q612 PolarHBondContact O-N 3.41Å; Q610-Q612 PolarHBondContact O-N 2.96Å; Q612-K615 PolarHBondContact O-N 3.34Å; Q612-F616 PolarHBondContact O-N 3.37Å; Q612-M627 HydrophobicContact CB-CE 4.36Å; Q612-M627 HydrophobicContact CB-SD 3.92Å; Q612-M627 VanDerWaalsContact O-SD 3.4Å
613	Q	95	Very high	92.5	Very high	35 Å²	35	51.5 Å²	51.5	16%	0.164	28%	0.281	C	S	.	.	H	α-helix	trans	-71.3	-29.2	176.7	76.9	175.5	-62.5	0	0	112.6	L609 Q610 D611 K615 G617 M627 F628 L645	L609-Q613 WeakPolarHBondContact O-CB 3.41Å; L609-Q613 WeakPolarHBondContact O-CG 3.24Å; L609-Q613 PolarHBondContact O-N 3.48Å; Q610-Q613 WeakPolarHBondContact O-CG 3.49Å; Q610-Q613 PolarHBondContact O-N 2.98Å; D611-Q613 PolarHBondContact O-N 2.78Å; Q613-K615 VanDerWaalsContact C-N 3.27Å; Q613-K615 PolarHBondContact O-N 3.47Å; Q613-G617 WeakPolarHBondContact O-CA 3.41Å; Q613-G617 PolarHBondContact O-N 3.21Å; Q613-M627 HydrophobicContact CB-CE 4.49Å; Q613-M627 HydrophobicContact CB-SD 4.14Å; Q613-F628 HydrophobicContact CB-CZ 4.27Å; Q613-L645 PolarHBondContact NE2-O 2.64Å; Q613-L645 PolarHBondContact OE1-O 2.94Å
614	T	93.8	Very high	92.3	Very high	99 Å²	99	50.4 Å²	50.4	61%	0.607	28%	0.279	S	S	*	.	H	α-helix	trans	-63.8	-34.8	172.1	-60.6	0	0	0	0	111.6	Q610 D611 G620 S621	Q610-T614 PolarHBondContact O-N 3.45Å; Q610-T614 VanDerWaalsContact O-N 3.13Å; Q610-T614 PolarHBondContact O-OG1 3.46Å; Q610-T614 VanDerWaalsContact O-OG1 3.08Å; D611-T614 PolarHBondContact O-N 2.97Å; T614-G620 WeakPolarHBondContact O-CA 3.44Å; T614-S621 PolarHBondContact O-N 2.95Å
615	K	93.9	Very high	92.3	Very high	52 Å²	52	49.6 Å²	49.6	23%	0.226	28%	0.275	C	S	.	.	H	α-helix	trans	-81.1	-48.9	177.8	-68	169.8	-177.3	160.8	0	112.6	D611 Q612 Q613 G620 S621 D622	D611-K615 VanDerWaalsContact CG-NZ 3.31Å; D611-K615 PolarHBondContact O-N 3.16Å; D611-K615 VanDerWaalsContact OD1-CE 3.31Å; D611-K615 WeakPolarHBondContact OD1-CE 3.35Å; D611-K615 IonicContact OD1-NZ 2.91Å; D611-K615 PolarHBondContact OD1-NZ 3.13Å; D611-K615 IonicContact OD2-NZ 2.94Å; D611-K615 PolarHBondContact OD2-NZ 2.61Å; Q612-K615 PolarHBondContact O-N 3.34Å; Q613-K615 VanDerWaalsContact C-N 3.27Å; Q613-K615 PolarHBondContact O-N 3.47Å; K615-G620 CarbonylContact O-C 3.59Å; K615-G620 VanDerWaalsContact O-CA 3.23Å; K615-G620 WeakPolarHBondContact O-CA 2.99Å; K615-S621 PolarHBondContact O-N 3.06Å; K615-S621 VanDerWaalsContact O-N 3.12Å; K615-D622 PolarHBondContact O-N 3.3Å
616	F	95.7	Very high	92.1	Very high	3 Å²	3	53.1 Å²	53.1	1%	0.013	29%	0.289	C	S	.	.	H	α-helix	trans	-120.9	5.9	-164.8	-53.2	-59.1	0	0	0	114.6	N360 Q612 D622 F625 R626 M627	N360-F616 HydrophobicContact CB-CE1 4.24Å; N360-F616 HydrophobicContact CB-CZ 4.06Å; N360-F616 VanDerWaalsContact O-CZ 3.22Å; N360-F616 WeakPolarHBondContact O-CZ 3.31Å; Q612-F616 PolarHBondContact O-N 3.37Å; F616-D622 HydrophobicContact CD1-CB 3.95Å; F616-D622 HydrophobicContact CE1-CB 3.7Å; F616-F625 HydrophobicContact CB-CD1 3.8Å; F616-F625 HydrophobicContact CB-CE1 4.49Å; F616-F625 HydrophobicContact CD1-CB 3.89Å; F616-F625 HydrophobicContact CD1-CD1 4.26Å; F616-F625 HydrophobicContact CD2-CD1 4.21Å; F616-F625 HydrophobicContact CE1-CB 4.24Å; F616-F625 HydrophobicContact CG-CB 4.35Å; F616-F625 AromaticContact CG-CD1 3.84Å; F616-F625 HydrophobicContact CG-CD1 3.84Å; F616-R626 WeakPolarHBondContact O-CA 3.39Å; F616-M627 HydrophobicContact CB-CG 3.8Å; F616-M627 HydrophobicContact CB-SD 4.17Å; F616-M627 PolarHBondContact O-N 2.7Å
617	G	92.4	Very high	92	Very high	4 Å²	4	53 Å²	53	4%	0.041	29%	0.288	C	S	.	.	S	Bend	trans	-68.6	-170.3	174.9	0	0	0	0	0	112.8	Q613 D619 G620 R626	Q613-G617 WeakPolarHBondContact O-CA 3.41Å; Q613-G617 PolarHBondContact O-N 3.21Å; G617-D619 PolarHBondContact O-N 3.17Å; G617-G620 PolarHBondContact O-N 3.27Å; G617-G620 VanDerWaalsContact O-N 3.09Å; G617-R626 PolarHBondContact O-NH1 3.2Å
618	T	88.9	Confident	92	Very high	56 Å²	56	46.5 Å²	46.5	34%	0.344	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-47.4	-179.1	-55.1	0	0	0	0	111.9	G620 T642 K643	T618-G620 VanDerWaalsContact C-N 3.34Å; T618-T642 PolarHBondContact OG1-O 3.32Å; T618-K643 PolarHBondContact OG1-O 2.88Å
619	D	84.9	Confident	91.9	Very high	126 Å²	126	51.8 Å²	51.8	67%	0.674	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	20.5	177	-57	-47.5	0	0	0	112.1	Q417 G617	Q417-D619 PolarHBondContact NE2-OD2 3.23Å; G617-D619 PolarHBondContact O-N 3.17Å
620	G	84.1	Confident	91.4	Very high	9 Å²	9	52.6 Å²	52.6	9%	0.093	29%	0.294	C	S	.	.			trans	-64.2	143.7	-175.1	0	0	0	0	0	112.9	T614 K615 G617 T618 D622 R626	T614-G620 WeakPolarHBondContact O-CA 3.44Å; K615-G620 CarbonylContact O-C 3.59Å; K615-G620 VanDerWaalsContact O-CA 3.23Å; K615-G620 WeakPolarHBondContact O-CA 2.99Å; G617-G620 PolarHBondContact O-N 3.27Å; G617-G620 VanDerWaalsContact O-N 3.09Å; T618-G620 VanDerWaalsContact C-N 3.34Å; G620-D622 PolarHBondContact O-N 3.46Å; G620-R626 PolarHBondContact O-NH1 2.71Å; G620-R626 VanDerWaalsContact O-NH1 3.11Å
621	S	84.7	Confident	90.7	Very high	107 Å²	107	54.8 Å²	54.8	75%	0.748	31%	0.313	S	S	*	.	S	Bend	trans	-66.1	-23.2	-177.1	59.4	0	0	0	0	114.3	T614 K615	T614-S621 PolarHBondContact O-N 2.95Å; K615-S621 PolarHBondContact O-N 3.06Å; K615-S621 VanDerWaalsContact O-N 3.12Å
622	D	85.8	Confident	90	Very high	56 Å²	56	58.7 Å²	58.7	30%	0.299	33%	0.334	S	S	.	.			trans	-111.6	122.5	-176.3	-166.1	-24.3	0	0	0	110.7	K615 F616 G620 T624	K615-D622 PolarHBondContact O-N 3.3Å; F616-D622 HydrophobicContact CD1-CB 3.95Å; F616-D622 HydrophobicContact CE1-CB 3.7Å; G620-D622 PolarHBondContact O-N 3.46Å; D622-T624 VanDerWaalsContact OD1-CB 3.28Å; D622-T624 WeakPolarHBondContact OD1-CB 3.02Å; D622-T624 VanDerWaalsContact OD1-CG2 3.22Å; D622-T624 WeakPolarHBondContact OD1-CG2 3.12Å; D622-T624 PolarHBondContact OD1-N 2.77Å; D622-T624 PolarHBondContact OD1-OG1 2.91Å; D622-T624 PolarHBondContact OD2-OG1 3.2Å
623	S	87.4	Confident	89.2	Confident	95 Å²	95	60.4 Å²	60.4	66%	0.664	35%	0.352	S	S	*	.			trans	-92.7	-2.8	-179.2	61.1	0	0	0	0	114.3	F625	S623-F625 PolarHBondContact O-N 3.25Å
624	T	91	Very high	88.3	Confident	86 Å²	86	66.9 Å²	66.9	53%	0.528	38%	0.379	S	S	.	.	S	Bend	trans	-63.2	-29.8	179.1	54.8	0	0	0	0	112.3	N360 D622	N360-T624 WeakPolarHBondContact OD1-CB 3.42Å; N360-T624 PolarHBondContact OD1-OG1 2.61Å; D622-T624 VanDerWaalsContact OD1-CB 3.28Å; D622-T624 WeakPolarHBondContact OD1-CB 3.02Å; D622-T624 VanDerWaalsContact OD1-CG2 3.22Å; D622-T624 WeakPolarHBondContact OD1-CG2 3.12Å; D622-T624 PolarHBondContact OD1-N 2.77Å; D622-T624 PolarHBondContact OD1-OG1 2.91Å; D622-T624 PolarHBondContact OD2-OG1 3.2Å
625	F	93.8	Very high	87.7	Confident	15 Å²	15	65 Å²	65	7%	0.066	37%	0.366	C	S	.	.			trans	-141.2	149.3	176.2	179.4	-106.1	0	0	0	111.3	K353 M356 W357 N360 F616 S623 M627	K353-F625 HydrophobicContact CG-CE2 4.19Å; K353-F625 HydrophobicContact CG-CZ 4.35Å; M356-F625 HydrophobicContact CB-CD2 4.37Å; M356-F625 HydrophobicContact CB-CE2 4.32Å; M356-F625 HydrophobicContact CG-CD2 3.89Å; M356-F625 HydrophobicContact CG-CE2 4.3Å; W357-F625 HydrophobicContact CB-CD1 4.28Å; W357-F625 HydrophobicContact CB-CE1 3.56Å; W357-F625 HydrophobicContact CB-CE2 3.99Å; W357-F625 HydrophobicContact CB-CZ 3.4Å; W357-F625 VanDerWaalsContact CB-CZ 3.4Å; W357-F625 AromaticContact CD1-CD1 3.72Å; W357-F625 AromaticContact CD1-CE1 3.37Å; W357-F625 HydrophobicContact CD2-CE1 4.2Å; W357-F625 HydrophobicContact CG-CD1 4.13Å; W357-F625 AromaticContact CG-CE1 3.4Å; W357-F625 HydrophobicContact CG-CE1 3.4Å; W357-F625 VanDerWaalsContact CG-CE1 3.4Å; W357-F625 AromaticContact CG-CZ 3.76Å; W357-F625 HydrophobicContact CG-CZ 3.76Å; N360-F625 HydrophobicContact CB-CB 3.79Å; N360-F625 HydrophobicContact CB-CG 4.41Å; F616-F625 HydrophobicContact CB-CD1 3.8Å; F616-F625 HydrophobicContact CB-CE1 4.49Å; F616-F625 HydrophobicContact CD1-CB 3.89Å; F616-F625 HydrophobicContact CD1-CD1 4.26Å; F616-F625 HydrophobicContact CD2-CD1 4.21Å; F616-F625 HydrophobicContact CE1-CB 4.24Å; F616-F625 HydrophobicContact CG-CB 4.35Å; F616-F625 AromaticContact CG-CD1 3.84Å; F616-F625 HydrophobicContact CG-CD1 3.84Å; S623-F625 PolarHBondContact O-N 3.25Å; F625-M627 HydrophobicContact CD1-CG 4.34Å; F625-M627 HydrophobicContact CE1-CB 4.39Å; F625-M627 HydrophobicContact CE1-CG 3.73Å
626	R	94.3	Very high	87.4	Confident	73 Å²	73	63.5 Å²	63.5	28%	0.275	36%	0.36	S	S	.	.			trans	-130.2	115.4	176.5	-66.6	-63.5	-176.2	-170.6	-6.4	110.2	F616 G617 G620 F628 Q629	F616-R626 WeakPolarHBondContact O-CA 3.39Å; G617-R626 PolarHBondContact O-NH1 3.2Å; G620-R626 PolarHBondContact O-NH1 2.71Å; G620-R626 VanDerWaalsContact O-NH1 3.11Å; R626-F628 PolarHBondContact O-N 3.12Å; R626-Q629 HydrophobicContact CB-CB 3.85Å
627	M	94.7	Very high	87.3	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.01	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-44.8	-178.3	-74.5	174.5	70.1	0	0	112.1	K353 W357 L609 Q612 Q613 F616 F625 Q629 F638 L645	K353-M627 WeakPolarHBondContact CE-O 3.4Å; K353-M627 PolarHBondContact NZ-O 2.82Å; W357-M627 HydrophobicContact CH2-CE 4.07Å; W357-M627 HydrophobicContact CZ2-CE 3.67Å; W357-M627 HydrophobicContact CZ2-SD 4.27Å; L609-M627 HydrophobicContact CD2-CE 4.43Å; Q612-M627 HydrophobicContact CB-CE 4.36Å; Q612-M627 HydrophobicContact CB-SD 3.92Å; Q612-M627 VanDerWaalsContact O-SD 3.4Å; Q613-M627 HydrophobicContact CB-CE 4.49Å; Q613-M627 HydrophobicContact CB-SD 4.14Å; F616-M627 HydrophobicContact CB-CG 3.8Å; F616-M627 HydrophobicContact CB-SD 4.17Å; F616-M627 PolarHBondContact O-N 2.7Å; F625-M627 HydrophobicContact CD1-CG 4.34Å; F625-M627 HydrophobicContact CE1-CB 4.39Å; F625-M627 HydrophobicContact CE1-CG 3.73Å; M627-Q629 PolarHBondContact O-N 2.64Å; M627-F638 HydrophobicContact CE-CE2 3.98Å; M627-F638 HydrophobicContact CE-CZ 4.27Å; M627-L645 HydrophobicContact CE-CD1 4.34Å
628	F	94.9	Very high	87.4	Confident	11 Å²	11	63.8 Å²	63.8	5%	0.048	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	27.5	-172.8	-45.4	-44.3	0	0	0	113	Q613 R626 F638 D640 T642 L645	Q613-F628 HydrophobicContact CB-CZ 4.27Å; R626-F628 PolarHBondContact O-N 3.12Å; F628-F638 HydrophobicContact CD1-CB 3.96Å; F628-F638 HydrophobicContact CD1-CD2 4.24Å; F628-F638 HydrophobicContact CD1-CG 4.09Å; F628-F638 HydrophobicContact CE1-CB 4.47Å; F628-F638 HydrophobicContact CE1-CD1 4.47Å; F628-F638 HydrophobicContact CE1-CD2 4.24Å; F628-F638 HydrophobicContact CE1-CG 4.15Å; F628-D640 CarbonylContact O-C 3.56Å; F628-D640 VanDerWaalsContact O-CA 3.27Å; F628-D640 WeakPolarHBondContact O-CA 3.42Å; F628-T642 WeakPolarHBondContact CB-O 3.43Å; F628-T642 HydrophobicContact CD1-CG2 3.66Å; F628-T642 HydrophobicContact CD2-CG2 4.07Å; F628-T642 WeakPolarHBondContact CD2-O 3.39Å; F628-T642 HydrophobicContact CE1-CG2 3.74Å; F628-T642 HydrophobicContact CE2-CG2 4.13Å; F628-T642 HydrophobicContact CG-CG2 3.86Å; F628-T642 HydrophobicContact CZ-CG2 3.99Å; F628-L645 HydrophobicContact CE1-CD1 4.34Å; F628-L645 HydrophobicContact CE1-CD2 4.29Å; F628-L645 HydrophobicContact CE1-CG 4.02Å; F628-L645 HydrophobicContact CZ-CD1 4.39Å; F628-L645 HydrophobicContact CZ-CG 3.89Å
629	Q	92.6	Very high	87.4	Confident	116 Å²	116	63.7 Å²	63.7	54%	0.542	36%	0.355	S	S	.	.			trans	-135	138.5	174.3	-170.7	177.8	2.2	0	0	110.5	K353 R626 M627	K353-Q629 WeakPolarHBondContact CE-O 3.1Å; K353-Q629 PolarHBondContact NZ-O 3.06Å; R626-Q629 HydrophobicContact CB-CB 3.85Å; M627-Q629 PolarHBondContact O-N 2.64Å
630	S	86.8	Confident	87.6	Confident	18 Å²	18	60.1 Å²	60.1	13%	0.126	34%	0.336	C	S	.	.			trans	-114.5	132.3	175	-74.1	0	0	0	0	111.2	K353 G633 L636 D640	K353-S630 PolarHBondContact NZ-OG 3.17Å; S630-G633 WeakPolarHBondContact CB-O 3.07Å; S630-L636 VanDerWaalsContact OG-CB 3.26Å; S630-L636 WeakPolarHBondContact OG-CB 3.45Å; S630-L636 WeakPolarHBondContact OG-CG 3.5Å; S630-L636 PolarHBondContact OG-N 3.34Å; S630-D640 WeakPolarHBondContact CB-OD1 3.42Å; S630-D640 PolarHBondContact N-OD1 2.65Å; S630-D640 PolarHBondContact OG-OD1 3.05Å
631	T	81.4	Confident	87.8	Confident	124 Å²	124	62.4 Å²	62.4	76%	0.761	35%	0.351	S	S	*	.	S	Bend	trans	-98.5	-42.3	178.8	48.3	0	0	0	0	112.6
632	N	78.8	Confident	88.1	Confident	145 Å²	145	57.4 Å²	57.4	78%	0.775	32%	0.315	S	S	*	.	S	Bend	trans	-109.8	47.1	-178.5	-66.5	-34.4	0	0	0	112
633	G	77.8	Confident	88.4	Confident	37 Å²	37	58.3 Å²	58.3	38%	0.381	32%	0.317	S	S	.	.	S	Bend	trans	156.6	-167.2	-175.4	0	0	0	0	0	110.5	S630	S630-G633 WeakPolarHBondContact CB-O 3.07Å
634	K	76.4	Confident	88.7	Confident	170 Å²	170	54.4 Å²	54.4	74%	0.739	29%	0.289	S	S	*	.	S	Bend	trans	-134.6	142.2	172.8	-65	-173.6	178.4	-175	0	109	L636 D640	K634-L636 VanDerWaalsContact C-N 3.34Å; K634-L636 PolarHBondContact O-N 3.12Å; K634-D640 WeakPolarHBondContact CA-OD2 3.26Å
635	N	81.3	Confident	88.9	Confident	61 Å²	61	50.6 Å²	50.6	33%	0.326	27%	0.266	S	S	.	.	S	Bend	trans	55.1	45.2	174.7	-51.3	-64.8	0	0	0	113.5	F638 K639 D640	N635-F638 CarbonylContact C-O 3.52Å; N635-F638 WeakPolarHBondContact CA-O 3.49Å; N635-K639 HydrophobicContact CB-CD 3.95Å; N635-K639 WeakPolarHBondContact OD1-CA 3.33Å; N635-K639 VanDerWaalsContact OD1-CD 3.31Å; N635-K639 WeakPolarHBondContact OD1-CD 3.1Å; N635-D640 PolarHBondContact N-OD2 3.02Å; N635-D640 PolarHBondContact OD1-N 2.74Å
636	L	88.4	Confident	88.8	Confident	20 Å²	20	50.4 Å²	50.4	11%	0.105	27%	0.265	C	S	.	.	S	Bend	trans	-83.8	129.1	177.4	-57.2	172.7	0	0	0	109.2	A349 E350 K353 S630 K634 F638	A349-L636 HydrophobicContact CB-CD1 4.31Å; A349-L636 HydrophobicContact CB-CD2 3.76Å; E350-L636 HydrophobicContact CG-CB 4.2Å; E350-L636 HydrophobicContact CG-CD2 3.89Å; K353-L636 HydrophobicContact CB-CB 4.41Å; K353-L636 HydrophobicContact CB-CD1 4.43Å; K353-L636 HydrophobicContact CD-CB 3.6Å; K353-L636 HydrophobicContact CD-CD1 4.41Å; K353-L636 WeakPolarHBondContact CD-O 3.06Å; K353-L636 PolarHBondContact NZ-O 3.1Å; S630-L636 VanDerWaalsContact OG-CB 3.26Å; S630-L636 WeakPolarHBondContact OG-CB 3.45Å; S630-L636 WeakPolarHBondContact OG-CG 3.5Å; S630-L636 PolarHBondContact OG-N 3.34Å; K634-L636 VanDerWaalsContact C-N 3.34Å; K634-L636 PolarHBondContact O-N 3.12Å; L636-F638 PolarHBondContact O-N 2.91Å
637	L	92.9	Very high	88.8	Confident	9 Å²	9	50.1 Å²	50.1	5%	0.047	27%	0.267	C	S	.	.	S	Bend	trans	67.2	-46.9	-174.3	-48.7	174.9	0	0	0	114.3	A345 E350 K353 C354 W357 A393	A345-L637 HydrophobicContact CB-CD2 3.93Å; E350-L637 HydrophobicContact CB-CD2 3.86Å; E350-L637 HydrophobicContact CG-CD2 4.47Å; E350-L637 PolarHBondContact OE1-N 3.4Å; K353-L637 HydrophobicContact CB-CD1 4.22Å; K353-L637 HydrophobicContact CD-CD1 4.06Å; K353-L637 HydrophobicContact CD-CG 4.24Å; K353-L637 HydrophobicContact CG-CD1 3.88Å; K353-L637 HydrophobicContact CG-CG 4.43Å; C354-L637 HydrophobicContact CB-CD1 4.14Å; C354-L637 HydrophobicContact CB-CD2 4.13Å; W357-L637 HydrophobicContact CE3-CD1 4.18Å; A393-L637 WeakPolarHBondContact CB-O 3.13Å
638	F	94.7	Very high	88.7	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.018	27%	0.267	C	S	.	.	S	Bend	trans	-136.4	163.3	177.8	-61.2	-78.9	0	0	0	109.6	W343 W357 A393 E413 V595 M627 F628 N635 L636 L645	W343-F638 AromaticContact CH2-CE1 3.76Å; W343-F638 HydrophobicContact CH2-CE1 3.76Å; W343-F638 HydrophobicContact CH2-CE2 4.27Å; W343-F638 AromaticContact CH2-CZ 3.33Å; W343-F638 HydrophobicContact CH2-CZ 3.33Å; W343-F638 AromaticContact CZ2-CE1 3.88Å; W343-F638 HydrophobicContact CZ2-CE1 3.88Å; W343-F638 HydrophobicContact CZ2-CE2 4.02Å; W343-F638 AromaticContact CZ2-CZ 3.44Å; W343-F638 HydrophobicContact CZ2-CZ 3.44Å; W343-F638 VanDerWaalsContact CZ2-CZ 3.44Å; W343-F638 HydrophobicContact CZ3-CZ 4.24Å; W357-F638 HydrophobicContact CH2-CE2 4.35Å; W357-F638 HydrophobicContact CZ3-CE2 4.31Å; A393-F638 HydrophobicContact CB-CD1 3.85Å; A393-F638 HydrophobicContact CB-CE1 3.83Å; E413-F638 HydrophobicContact CG-CD1 4.35Å; E413-F638 WeakPolarHBondContact OE1-CA 3.4Å; E413-F638 WeakPolarHBondContact OE1-CB 3.31Å; E413-F638 WeakPolarHBondContact OE1-CD1 3.41Å; V595-F638 HydrophobicContact CG2-CE1 4.01Å; M627-F638 HydrophobicContact CE-CE2 3.98Å; M627-F638 HydrophobicContact CE-CZ 4.27Å; F628-F638 HydrophobicContact CD1-CB 3.96Å; F628-F638 HydrophobicContact CD1-CD2 4.24Å; F628-F638 HydrophobicContact CD1-CG 4.09Å; F628-F638 HydrophobicContact CE1-CB 4.47Å; F628-F638 HydrophobicContact CE1-CD1 4.47Å; F628-F638 HydrophobicContact CE1-CD2 4.24Å; F628-F638 HydrophobicContact CE1-CG 4.15Å; N635-F638 CarbonylContact C-O 3.52Å; N635-F638 WeakPolarHBondContact CA-O 3.49Å; L636-F638 PolarHBondContact O-N 2.91Å; F638-L645 HydrophobicContact CD1-CD2 4.07Å; F638-L645 HydrophobicContact CE1-CD1 3.82Å; F638-L645 HydrophobicContact CE1-CD2 3.93Å; F638-L645 HydrophobicContact CE1-CG 4.48Å; F638-L645 HydrophobicContact CZ-CD1 3.99Å
639	K	89.6	Confident	88.5	Confident	54 Å²	54	52.8 Å²	52.8	24%	0.235	28%	0.284	C	S	.	.			trans	-64.4	139.3	168.6	-67.2	-69.1	-179.8	-169.4	0	111.2	E413 Y415 H593 N635 S641 T642	E413-K639 PolarHBondContact OE1-N 3.35Å; E413-K639 VanDerWaalsContact OE2-CB 3.24Å; E413-K639 WeakPolarHBondContact OE2-CB 3.31Å; E413-K639 WeakPolarHBondContact OE2-CG 3.37Å; Y415-K639 HydrophobicContact CE1-CB 3.91Å; Y415-K639 HydrophobicContact CE1-CG 4.2Å; H593-K639 WeakPolarHBondContact CE1-CE 3.47Å; H593-K639 WeakPolarHBondContact NE2-CE 3.48Å; N635-K639 HydrophobicContact CB-CD 3.95Å; N635-K639 WeakPolarHBondContact OD1-CA 3.33Å; N635-K639 VanDerWaalsContact OD1-CD 3.31Å; N635-K639 WeakPolarHBondContact OD1-CD 3.1Å; K639-S641 PolarHBondContact O-N 3.03Å; K639-T642 WeakPolarHBondContact O-CB 3.41Å; K639-T642 PolarHBondContact O-N 3.16Å; K639-T642 PolarHBondContact O-OG1 2.81Å
640	D	87.4	Confident	88.4	Confident	50 Å²	50	50.9 Å²	50.9	27%	0.267	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-18.1	175.2	-64.2	-34.5	0	0	0	112.3	F628 S630 K634 N635 T642	F628-D640 CarbonylContact O-C 3.56Å; F628-D640 VanDerWaalsContact O-CA 3.27Å; F628-D640 WeakPolarHBondContact O-CA 3.42Å; S630-D640 WeakPolarHBondContact CB-OD1 3.42Å; S630-D640 PolarHBondContact N-OD1 2.65Å; S630-D640 PolarHBondContact OG-OD1 3.05Å; K634-D640 WeakPolarHBondContact CA-OD2 3.26Å; N635-D640 PolarHBondContact N-OD2 3.02Å; N635-D640 PolarHBondContact OD1-N 2.74Å; D640-T642 VanDerWaalsContact C-N 3.28Å
641	S	88.5	Confident	88.4	Confident	58 Å²	58	53.1 Å²	53.1	41%	0.406	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.7	174.2	56.1	0	0	0	0	113.7	K639 K643	K639-S641 PolarHBondContact O-N 3.03Å; S641-K643 PolarHBondContact O-N 3.05Å
642	T	91.9	Very high	88.8	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	28%	0.284	C	S	.	.			trans	-64.1	130.5	-179.9	-52.9	0	0	0	0	110.6	E413 T618 F628 K639 D640 C644 L645	E413-T642 HydrophobicContact CB-CG2 4.02Å; E413-T642 HydrophobicContact CG-CG2 4Å; E413-T642 PolarHBondContact OE2-OG1 3.17Å; T618-T642 PolarHBondContact OG1-O 3.32Å; F628-T642 WeakPolarHBondContact CB-O 3.43Å; F628-T642 HydrophobicContact CD1-CG2 3.66Å; F628-T642 HydrophobicContact CD2-CG2 4.07Å; F628-T642 WeakPolarHBondContact CD2-O 3.39Å; F628-T642 HydrophobicContact CE1-CG2 3.74Å; F628-T642 HydrophobicContact CE2-CG2 4.13Å; F628-T642 HydrophobicContact CG-CG2 3.86Å; F628-T642 HydrophobicContact CZ-CG2 3.99Å; K639-T642 WeakPolarHBondContact O-CB 3.41Å; K639-T642 PolarHBondContact O-N 3.16Å; K639-T642 PolarHBondContact O-OG1 2.81Å; D640-T642 VanDerWaalsContact C-N 3.28Å; T642-C644 WeakPolarHBondContact CG2-O 3.49Å; T642-L645 HydrophobicContact CG2-CD2 4.31Å
643	K	92.8	Very high	89.4	Confident	76 Å²	76	45.3 Å²	45.3	33%	0.33	26%	0.263	S	S	.	.			trans	-97.2	-40.1	175.4	-57.8	-54.2	179.3	-173.6	0	111.4	Q414 Y415 Q417 T618 S641	Q414-K643 WeakPolarHBondContact O-CB 3.32Å; Q414-K643 PolarHBondContact O-N 3.15Å; Y415-K643 VanDerWaalsContact O-CG 3.28Å; Y415-K643 WeakPolarHBondContact O-CG 3.46Å; Q417-K643 HydrophobicContact CB-CG 4.46Å; T618-K643 PolarHBondContact OG1-O 2.88Å; S641-K643 PolarHBondContact O-N 3.05Å
644	C	93.4	Very high	90.2	Very high	12 Å²	12	45.4 Å²	45.4	8%	0.081	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	169	175	61.1	0	0	0	0	110.7	Q414 C420 T642	Q414-C644 VanDerWaalsContact CB-SG 3.59Å; Q414-C644 PolarHBondContact N-O 3.17Å; C420-C644 WeakPolarHBondContact CA-SG 2.99Å; C420-C644 HydrophobicContact CB-CB 3.88Å; C420-C644 WeakPolarHBondContact CB-SG 3.06Å; C420-C644 WeakPolarHBondContact SG-CB 3.47Å; C420-C644 CovalentContact SG-SG 2.03Å; C420-C644 PolarHBondContact SG-SG 2.97Å; T642-C644 WeakPolarHBondContact CG2-O 3.49Å
645	L	94.2	Very high	90.9	Very high	7 Å²	7	40.4 Å²	40.4	4%	0.037	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.1	166.8	-61.1	175.2	0	0	0	109.2	M411 V412 E413 L609 Q613 M627 F628 F638 T642	M411-L645 HydrophobicContact CB-CB 4.32Å; M411-L645 HydrophobicContact CE-CB 3.73Å; M411-L645 WeakPolarHBondContact CE-O 3.4Å; M411-L645 HydrophobicContact SD-CB 4.09Å; M411-L645 HydrophobicContact SD-CD1 4.42Å; V412-L645 WeakPolarHBondContact O-CA 3.4Å; E413-L645 HydrophobicContact CG-CD2 3.87Å; L609-L645 HydrophobicContact CB-CD1 4.39Å; L609-L645 HydrophobicContact CD1-CD1 4.38Å; Q613-L645 PolarHBondContact NE2-O 2.64Å; Q613-L645 PolarHBondContact OE1-O 2.94Å; M627-L645 HydrophobicContact CE-CD1 4.34Å; F628-L645 HydrophobicContact CE1-CD1 4.34Å; F628-L645 HydrophobicContact CE1-CD2 4.29Å; F628-L645 HydrophobicContact CE1-CG 4.02Å; F628-L645 HydrophobicContact CZ-CD1 4.39Å; F628-L645 HydrophobicContact CZ-CG 3.89Å; F638-L645 HydrophobicContact CD1-CD2 4.07Å; F638-L645 HydrophobicContact CE1-CD1 3.82Å; F638-L645 HydrophobicContact CE1-CD2 3.93Å; F638-L645 HydrophobicContact CE1-CG 4.48Å; F638-L645 HydrophobicContact CZ-CD1 3.99Å; T642-L645 HydrophobicContact CG2-CD2 4.31Å
646	Q	93.1	Very high	91.5	Very high	11 Å²	11	42.8 Å²	42.8	5%	0.051	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	139.4	174.2	-62.7	-176.9	-78.4	0	0	109.8	M411 V412 Q414 L419 S422 P424 V648	M411-Q646 CarbonylContact C-O 3.2Å; M411-Q646 WeakPolarHBondContact CA-O 3.37Å; M411-Q646 WeakPolarHBondContact CB-O 3.23Å; V412-Q646 HydrophobicContact CG1-CB 4.14Å; V412-Q646 PolarHBondContact N-O 3.29Å; V412-Q646 PolarHBondContact O-N 3.18Å; Q414-Q646 HydrophobicContact CB-CG 4.18Å; L419-Q646 PolarHBondContact O-NE2 3.11Å; S422-Q646 PolarHBondContact O-NE2 3.21Å; P424-Q646 HydrophobicContact CB-CB 4.46Å; Q646-V648 PolarHBondContact O-N 3.16Å
647	E	93.2	Very high	91.7	Very high	66 Å²	66	42.7 Å²	42.7	31%	0.308	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	125.8	175.8	177	177	-176.9	0	0	110.3	M411 P424 R602 V606 T649	M411-E647 HydrophobicContact CE-CB 4.45Å; P424-E647 WeakPolarHBondContact CB-O 3.35Å; P424-E647 VanDerWaalsContact CG-O 3.28Å; P424-E647 WeakPolarHBondContact CG-O 3.06Å; R602-E647 IonicContact CZ-OE1 2.99Å; R602-E647 IonicContact NH1-OE1 3.53Å; R602-E647 PolarHBondContact NH1-OE1 3.45Å; R602-E647 IonicContact NH2-OE1 3.05Å; R602-E647 PolarHBondContact NH2-OE1 3.27Å; V606-E647 HydrophobicContact CG1-CB 4.12Å; V606-E647 HydrophobicContact CG1-CG 3.83Å; V606-E647 HydrophobicContact CG2-CG 4.19Å; E647-T649 PolarHBondContact O-N 2.81Å
648	V	92.7	Very high	91.7	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.024	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-73.2	124.5	169.8	175.5	0	0	0	0	108	P409 A410 V412 R602 Q646 S650 K652 F657	P409-V648 HydrophobicContact CB-CG1 4.35Å; P409-V648 HydrophobicContact CB-CG2 4.35Å; P409-V648 HydrophobicContact CG-CG1 4.19Å; A410-V648 PolarHBondContact O-N 3.43Å; V412-V648 HydrophobicContact CB-CG2 3.98Å; V412-V648 HydrophobicContact CG1-CG2 3.99Å; R602-V648 PolarHBondContact NH2-O 3.08Å; Q646-V648 PolarHBondContact O-N 3.16Å; V648-S650 PolarHBondContact O-N 3.05Å; V648-K652 HydrophobicContact CG1-CB 4.09Å; V648-K652 HydrophobicContact CG1-CD 3.97Å; V648-K652 HydrophobicContact CG1-CG 4.39Å; V648-F657 HydrophobicContact CG1-CD2 3.97Å; V648-F657 HydrophobicContact CG2-CD2 3.9Å; V648-F657 HydrophobicContact CG2-CE2 3.77Å
649	T	90.4	Very high	91.5	Very high	66 Å²	66	43.6 Å²	43.6	41%	0.405	25%	0.253	S	S	.	.			trans	-40.6	129.6	-176.5	-51.7	0	0	0	0	113.4	E647 G651 K652	E647-T649 PolarHBondContact O-N 2.81Å; T649-G651 PolarHBondContact O-N 3.15Å; T649-K652 WeakPolarHBondContact O-CB 3.28Å; T649-K652 PolarHBondContact O-N 2.81Å
650	S	89.8	Confident	91.6	Very high	76 Å²	76	47.5 Å²	47.5	53%	0.531	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	137.8	-179.9	-170.3	0	0	0	0	111.6	V648 K652	V648-S650 PolarHBondContact O-N 3.05Å; S650-K652 VanDerWaalsContact C-N 3.27Å; S650-K652 PolarHBondContact O-N 2.03Å
651	G	87.6	Confident	91.8	Very high	65 Å²	65	49.9 Å²	49.9	67%	0.67	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-6.8	-174.6	0	0	0	0	0	115.5	T649 T653	T649-G651 PolarHBondContact O-N 3.15Å; G651-T653 PolarHBondContact O-N 3.38Å
652	K	90.3	Very high	92	Very high	51 Å²	51	47.1 Å²	47.1	22%	0.222	26%	0.262	C	S	.	.			trans	-69	121.2	174.2	-164.1	171.7	-170.4	174.7	0	110.2	D425 V648 T649 S650 Q656	D425-K652 IonicContact OD1-NZ 2.74Å; D425-K652 PolarHBondContact OD1-NZ 2.86Å; V648-K652 HydrophobicContact CG1-CB 4.09Å; V648-K652 HydrophobicContact CG1-CD 3.97Å; V648-K652 HydrophobicContact CG1-CG 4.39Å; T649-K652 WeakPolarHBondContact O-CB 3.28Å; T649-K652 PolarHBondContact O-N 2.81Å; S650-K652 VanDerWaalsContact C-N 3.27Å; S650-K652 PolarHBondContact O-N 2.03Å; K652-Q656 HydrophobicContact CG-CB 3.79Å
653	T	91.9	Very high	92.1	Very high	53 Å²	53	47.9 Å²	47.9	33%	0.325	27%	0.266	S	S	.	.			trans	-77.8	165.6	-179.7	59.4	0	0	0	0	111.6	G651 D655 Q656 F657	G651-T653 PolarHBondContact O-N 3.38Å; T653-D655 VanDerWaalsContact C-N 3.3Å; T653-D655 WeakPolarHBondContact CB-OD1 3.46Å; T653-D655 PolarHBondContact O-N 3.41Å; T653-D655 PolarHBondContact OG1-OD1 2.89Å; T653-Q656 PolarHBondContact O-N 3.3Å; T653-Q656 VanDerWaalsContact OG1-CD 3.31Å; T653-Q656 VanDerWaalsContact OG1-CG 3.23Å; T653-Q656 WeakPolarHBondContact OG1-CG 3.18Å; T653-Q656 PolarHBondContact OG1-OE1 3.03Å; T653-F657 WeakPolarHBondContact O-CB 3.4Å; T653-F657 PolarHBondContact O-N 3.36Å
654	Y	92.9	Very high	92.1	Very high	40 Å²	40	48.2 Å²	48.2	16%	0.157	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-36.5	-179.7	74.4	-85.9	0	0	0	112.7	Y400 G403 K404 F657 L658 M663	Y400-Y654 HydrophobicContact CD2-CD2 4.48Å; Y400-Y654 HydrophobicContact CD2-CE2 4.04Å; Y400-Y654 HydrophobicContact CE2-CE2 4.31Å; G403-Y654 VanDerWaalsContact CA-CD1 3.45Å; K404-Y654 WeakPolarHBondContact CD-OH 3.33Å; K404-Y654 WeakPolarHBondContact CE-OH 3.47Å; K404-Y654 PolarHBondContact NZ-OH 3.08Å; Y654-F657 PolarHBondContact O-N 3.49Å; Y654-L658 HydrophobicContact CD2-CD1 4.18Å; Y654-L658 WeakPolarHBondContact O-CB 3.4Å; Y654-L658 WeakPolarHBondContact O-CG 3.41Å; Y654-L658 PolarHBondContact O-N 2.93Å; Y654-M663 HydrophobicContact CE2-CE 3.99Å; Y654-M663 HydrophobicContact CE2-SD 4.38Å
655	D	92.9	Very high	92.1	Very high	64 Å²	64	47.8 Å²	47.8	34%	0.342	27%	0.268	S	S	.	.	H	α-helix	trans	-70.7	-38.7	178.4	59.1	-55.7	0	0	0	112.1	T653 F657 L658 G659 M663	T653-D655 VanDerWaalsContact C-N 3.3Å; T653-D655 WeakPolarHBondContact CB-OD1 3.46Å; T653-D655 PolarHBondContact O-N 3.41Å; T653-D655 PolarHBondContact OG1-OD1 2.89Å; D655-F657 VanDerWaalsContact C-N 3.34Å; D655-L658 PolarHBondContact O-N 2.93Å; D655-G659 PolarHBondContact O-N 3.26Å; D655-M663 HydrophobicContact CB-CE 3.61Å; D655-M663 HydrophobicContact CB-CG 3.95Å; D655-M663 HydrophobicContact CB-SD 3.86Å
656	Q	93.1	Very high	92.1	Very high	112 Å²	112	47.5 Å²	47.5	52%	0.523	27%	0.267	S	S	.	.	H	α-helix	trans	-66.7	-36.5	171.7	-69.5	173.6	-11	0	0	112	K652 T653	K652-Q656 HydrophobicContact CG-CB 3.79Å; T653-Q656 PolarHBondContact O-N 3.3Å; T653-Q656 VanDerWaalsContact OG1-CD 3.31Å; T653-Q656 VanDerWaalsContact OG1-CG 3.23Å; T653-Q656 WeakPolarHBondContact OG1-CG 3.18Å; T653-Q656 PolarHBondContact OG1-OE1 3.03Å
657	F	92.5	Very high	92	Very high	17 Å²	17	49.6 Å²	49.6	8%	0.075	28%	0.283	C	S	.	.	H	α-helix	trans	-66.3	-46.6	175	173.3	-98.7	0	0	0	111.7	V399 P409 V412 P591 A594 V648 T653 Y654 D655 G659	V399-F657 HydrophobicContact CG1-CD1 3.9Å; V399-F657 HydrophobicContact CG1-CE1 4.25Å; V399-F657 HydrophobicContact CG2-CE1 4.22Å; P409-F657 HydrophobicContact CB-CD1 4.38Å; P409-F657 HydrophobicContact CB-CD2 4.39Å; P409-F657 HydrophobicContact CB-CG 4.18Å; P409-F657 HydrophobicContact CG-CB 3.87Å; P409-F657 HydrophobicContact CG-CD1 4.5Å; P409-F657 HydrophobicContact CG-CD2 4.5Å; P409-F657 HydrophobicContact CG-CG 4.04Å; V412-F657 HydrophobicContact CB-CE2 3.96Å; V412-F657 HydrophobicContact CB-CZ 4.19Å; V412-F657 HydrophobicContact CG2-CE2 3.92Å; V412-F657 HydrophobicContact CG2-CZ 3.8Å; P591-F657 HydrophobicContact CB-CD1 4.39Å; P591-F657 HydrophobicContact CB-CE1 3.61Å; P591-F657 HydrophobicContact CB-CE2 4.17Å; P591-F657 HydrophobicContact CB-CZ 3.47Å; P591-F657 VanDerWaalsContact CB-CZ 3.47Å; P591-F657 HydrophobicContact CG-CD1 4.32Å; P591-F657 HydrophobicContact CG-CE1 4Å; P591-F657 HydrophobicContact CG-CZ 4.22Å; P591-F657 WeakPolarHBondContact CG-O 3.14Å; A594-F657 HydrophobicContact CB-CE1 3.84Å; A594-F657 HydrophobicContact CB-CE2 4.45Å; A594-F657 HydrophobicContact CB-CZ 3.64Å; V648-F657 HydrophobicContact CG1-CD2 3.97Å; V648-F657 HydrophobicContact CG2-CD2 3.9Å; V648-F657 HydrophobicContact CG2-CE2 3.77Å; T653-F657 WeakPolarHBondContact O-CB 3.4Å; T653-F657 PolarHBondContact O-N 3.36Å; Y654-F657 PolarHBondContact O-N 3.49Å; D655-F657 VanDerWaalsContact C-N 3.34Å; F657-G659 VanDerWaalsContact C-N 3.33Å; F657-G659 PolarHBondContact O-N 2.9Å
658	L	92	Very high	92.1	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-72.6	-25.4	-178.4	-69.1	168.6	0	0	0	113.8	G396 V399 Y400 P591 Y654 D655 Y662 M663	G396-L658 WeakPolarHBondContact O-CD2 3.32Å; V399-L658 HydrophobicContact CB-CD2 4.28Å; V399-L658 HydrophobicContact CG1-CD1 4.49Å; V399-L658 HydrophobicContact CG1-CG 4.47Å; Y400-L658 HydrophobicContact CD2-CD1 4.29Å; P591-L658 HydrophobicContact CG-CD2 4.42Å; Y654-L658 HydrophobicContact CD2-CD1 4.18Å; Y654-L658 WeakPolarHBondContact O-CB 3.4Å; Y654-L658 WeakPolarHBondContact O-CG 3.41Å; Y654-L658 PolarHBondContact O-N 2.93Å; D655-L658 PolarHBondContact O-N 2.93Å; L658-Y662 HydrophobicContact CB-CD1 3.72Å; L658-Y662 HydrophobicContact CB-CG 4.27Å; L658-Y662 HydrophobicContact CD1-CD1 3.85Å; L658-Y662 HydrophobicContact CD1-CE1 3.84Å; L658-Y662 HydrophobicContact CD2-CD1 4.11Å; L658-Y662 HydrophobicContact CD2-CE1 4.22Å; L658-Y662 HydrophobicContact CG-CD1 4.1Å; L658-Y662 HydrophobicContact CG-CE1 4.41Å; L658-Y662 WeakPolarHBondContact O-CB 3.12Å; L658-M663 HydrophobicContact CB-CG 4.49Å; L658-M663 HydrophobicContact CB-SD 4.29Å; L658-M663 HydrophobicContact CD1-SD 4.18Å
659	G	91.8	Very high	92.1	Very high	28 Å²	28	47.7 Å²	47.7	29%	0.289	28%	0.277	S	S	.	.			trans	82	159	177.6	0	0	0	0	0	113.6	D655 F657 E661 Y662 M663	D655-G659 PolarHBondContact O-N 3.26Å; F657-G659 VanDerWaalsContact C-N 3.33Å; F657-G659 PolarHBondContact O-N 2.9Å; G659-E661 PolarHBondContact O-N 2.92Å; G659-Y662 PolarHBondContact O-N 2.79Å; G659-M663 VanDerWaalsContact O-CG 3.31Å; G659-M663 WeakPolarHBondContact O-CG 3.28Å; G659-M663 PolarHBondContact O-N 3.41Å; G659-M663 VanDerWaalsContact O-N 3.09Å
660	Q	92.1	Very high	92.2	Very high	136 Å²	136	46.6 Å²	46.6	64%	0.636	27%	0.265	S	S	*	.	H	α-helix	trans	-64.5	-38.1	-168	-167.8	63.5	50.7	0	0	113.7	M663 N664	Q660-M663 PolarHBondContact O-N 3Å; Q660-N664 PolarHBondContact NE2-OD1 2.77Å; Q660-N664 WeakPolarHBondContact O-CB 3.04Å; Q660-N664 PolarHBondContact O-N 3Å; Q660-N664 PolarHBondContact O-ND2 3.12Å; Q660-N664 PolarHBondContact O-OD1 2.72Å
661	E	91.3	Very high	92.3	Very high	100 Å²	100	49.1 Å²	49.1	47%	0.467	27%	0.269	S	S	.	.	H	α-helix	trans	-61.6	-46.6	-179.9	-66	-175.9	168.9	0	0	111.8	H586 A588 A589 G659 N664 A665	H586-E661 IonicContact CD2-OE2 3.09Å; H586-E661 IonicContact NE2-OE2 2.75Å; H586-E661 PolarHBondContact NE2-OE2 2.74Å; A588-E661 HydrophobicContact CB-CB 4.16Å; A589-E661 PolarHBondContact N-OE2 2.77Å; G659-E661 PolarHBondContact O-N 2.92Å; E661-N664 PolarHBondContact O-N 2.94Å; E661-A665 PolarHBondContact O-N 3.48Å
662	Y	91.9	Very high	92.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-47.4	176.1	-172.9	-94.8	0	0	0	111	G397 Y400 T460 I465 V590 L658 G659 N664 A665 M666	G397-Y662 WeakPolarHBondContact CA-OH 3.17Å; Y400-Y662 HydrophobicContact CD2-CE1 4.35Å; T460-Y662 HydrophobicContact CG2-CD2 4.4Å; T460-Y662 HydrophobicContact CG2-CE2 3.47Å; T460-Y662 VanDerWaalsContact CG2-CE2 3.47Å; I465-Y662 HydrophobicContact CD1-CD2 3.94Å; I465-Y662 HydrophobicContact CD1-CE2 3.92Å; I465-Y662 HydrophobicContact CG1-CD2 4.06Å; I465-Y662 HydrophobicContact CG1-CE2 3.94Å; V590-Y662 HydrophobicContact CG2-CD2 4.12Å; V590-Y662 HydrophobicContact CG2-CE2 4.44Å; L658-Y662 HydrophobicContact CB-CD1 3.72Å; L658-Y662 HydrophobicContact CB-CG 4.27Å; L658-Y662 HydrophobicContact CD1-CD1 3.85Å; L658-Y662 HydrophobicContact CD1-CE1 3.84Å; L658-Y662 HydrophobicContact CD2-CD1 4.11Å; L658-Y662 HydrophobicContact CD2-CE1 4.22Å; L658-Y662 HydrophobicContact CG-CD1 4.1Å; L658-Y662 HydrophobicContact CG-CE1 4.41Å; L658-Y662 WeakPolarHBondContact O-CB 3.12Å; G659-Y662 PolarHBondContact O-N 2.79Å; Y662-N664 VanDerWaalsContact C-N 3.3Å; Y662-N664 PolarHBondContact O-N 2.05Å; Y662-A665 PolarHBondContact O-N 3.07Å; Y662-M666 HydrophobicContact CD1-CG 3.83Å; Y662-M666 HydrophobicContact CE1-CG 3.3Å; Y662-M666 HydrophobicContact CE1-SD 4.15Å; Y662-M666 HydrophobicContact CE2-CG 4.33Å; Y662-M666 WeakPolarHBondContact O-CG 3.26Å; Y662-M666 PolarHBondContact O-N 3.29Å; Y662-M666 PolarHBondContact OH-SD 3.43Å
663	M	93.8	Very high	92.3	Very high	17 Å²	17	47 Å²	47	8%	0.084	25%	0.254	C	S	.	.	H	α-helix	trans	-63.3	-34.8	-179.7	-68.6	-56.6	-61.9	0	0	112.7	Y400 Y654 D655 L658 G659 Q660 S667	Y400-M663 HydrophobicContact CD2-CE 4.09Å; Y400-M663 HydrophobicContact CD2-SD 3.8Å; Y400-M663 HydrophobicContact CE2-CE 3.71Å; Y400-M663 HydrophobicContact CE2-SD 3.99Å; Y654-M663 HydrophobicContact CE2-CE 3.99Å; Y654-M663 HydrophobicContact CE2-SD 4.38Å; D655-M663 HydrophobicContact CB-CE 3.61Å; D655-M663 HydrophobicContact CB-CG 3.95Å; D655-M663 HydrophobicContact CB-SD 3.86Å; L658-M663 HydrophobicContact CB-CG 4.49Å; L658-M663 HydrophobicContact CB-SD 4.29Å; L658-M663 HydrophobicContact CD1-SD 4.18Å; G659-M663 VanDerWaalsContact O-CG 3.31Å; G659-M663 WeakPolarHBondContact O-CG 3.28Å; G659-M663 PolarHBondContact O-N 3.41Å; G659-M663 VanDerWaalsContact O-N 3.09Å; Q660-M663 PolarHBondContact O-N 3Å; M663-S667 WeakPolarHBondContact O-CB 3.07Å; M663-S667 PolarHBondContact O-N 3.36Å; M663-S667 PolarHBondContact O-OG 3.06Å
664	N	93.7	Very high	92	Very high	83 Å²	83	51.7 Å²	51.7	44%	0.444	28%	0.277	S	S	.	.	H	α-helix	trans	-65.5	-44.2	175.3	-73.2	-13.4	0	0	0	111.7	Q660 E661 Y662 S668	Q660-N664 PolarHBondContact NE2-OD1 2.77Å; Q660-N664 WeakPolarHBondContact O-CB 3.04Å; Q660-N664 PolarHBondContact O-N 3Å; Q660-N664 PolarHBondContact O-ND2 3.12Å; Q660-N664 PolarHBondContact O-OD1 2.72Å; E661-N664 PolarHBondContact O-N 2.94Å; Y662-N664 VanDerWaalsContact C-N 3.3Å; Y662-N664 PolarHBondContact O-N 2.05Å; N664-S668 VanDerWaalsContact O-CB 3.32Å; N664-S668 WeakPolarHBondContact O-CB 3.04Å; N664-S668 PolarHBondContact O-N 3.45Å; N664-S668 PolarHBondContact O-OG 2.04Å
665	A	93.8	Very high	91.7	Very high	3 Å²	3	51.3 Å²	51.3	3%	0.025	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-46.3	177.4	0	0	0	0	0	111.1	I465 G468 E661 Y662 S668 L669	I465-A665 HydrophobicContact CG2-CB 4.5Å; G468-A665 VanDerWaalsContact CA-O 3.26Å; G468-A665 WeakPolarHBondContact CA-O 3.34Å; E661-A665 PolarHBondContact O-N 3.48Å; Y662-A665 PolarHBondContact O-N 3.07Å; A665-S668 PolarHBondContact O-N 3.33Å; A665-L669 WeakPolarHBondContact O-CB 3.04Å; A665-L669 PolarHBondContact O-N 3.24Å
666	M	92.7	Very high	91.5	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-47.2	177.5	-70	-56.2	-67	0	0	112.2	Y400 N464 Y662 S668 L669 R670	Y400-M666 HydrophobicContact CD1-CE 3.67Å; Y400-M666 HydrophobicContact CD2-CB 4.13Å; Y400-M666 HydrophobicContact CD2-CE 4.48Å; Y400-M666 HydrophobicContact CD2-CG 4.12Å; Y400-M666 HydrophobicContact CE1-CE 3.78Å; Y400-M666 HydrophobicContact CE2-CB 3.73Å; Y400-M666 HydrophobicContact CE2-CG 4.23Å; Y400-M666 HydrophobicContact CG-CE 4.05Å; Y400-M666 HydrophobicContact CG-CG 4.47Å; N464-M666 HydrophobicContact CB-SD 3.59Å; N464-M666 VanDerWaalsContact CB-SD 3.59Å; Y662-M666 HydrophobicContact CD1-CG 3.83Å; Y662-M666 HydrophobicContact CE1-CG 3.3Å; Y662-M666 HydrophobicContact CE1-SD 4.15Å; Y662-M666 HydrophobicContact CE2-CG 4.33Å; Y662-M666 WeakPolarHBondContact O-CG 3.26Å; Y662-M666 PolarHBondContact O-N 3.29Å; Y662-M666 PolarHBondContact OH-SD 3.43Å; M666-S668 PolarHBondContact O-N 3.19Å; M666-L669 PolarHBondContact O-N 3.09Å; M666-L669 VanDerWaalsContact O-N 3.15Å; M666-R670 WeakPolarHBondContact O-CB 3.35Å; M666-R670 WeakPolarHBondContact O-CG 3.04Å; M666-R670 PolarHBondContact O-N 3.39Å
667	S	91.9	Very high	91.2	Very high	56 Å²	56	45 Å²	45	39%	0.392	25%	0.253	S	S	.	.	H	α-helix	trans	-62.6	-34.2	179.6	-58.2	0	0	0	0	112.1	M663 Q671	M663-S667 WeakPolarHBondContact O-CB 3.07Å; M663-S667 PolarHBondContact O-N 3.36Å; M663-S667 PolarHBondContact O-OG 3.06Å; S667-Q671 PolarHBondContact O-NE2 2.91Å
668	S	94.4	Very high	91	Very high	29 Å²	29	47 Å²	47	20%	0.203	26%	0.264	C	S	.	.	H	α-helix	trans	-66.7	-50.5	172.6	-61.8	0	0	0	0	110.9	G468 Y471 N664 A665 M666 R670 Q671	G468-S668 WeakPolarHBondContact O-CB 3.37Å; Y471-S668 WeakPolarHBondContact CD1-O 3.4Å; Y471-S668 WeakPolarHBondContact CE1-O 3.36Å; N664-S668 VanDerWaalsContact O-CB 3.32Å; N664-S668 WeakPolarHBondContact O-CB 3.04Å; N664-S668 PolarHBondContact O-N 3.45Å; N664-S668 PolarHBondContact O-OG 2.04Å; A665-S668 PolarHBondContact O-N 3.33Å; M666-S668 PolarHBondContact O-N 3.19Å; S668-R670 VanDerWaalsContact C-N 3.27Å; S668-R670 PolarHBondContact O-N 2.94Å; S668-Q671 WeakPolarHBondContact O-CB 3.47Å; S668-Q671 WeakPolarHBondContact O-CG 3.39Å; S668-Q671 PolarHBondContact O-N 2.83Å
669	L	94	Very high	90.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.1	-39.3	179.1	-177.2	61.8	0	0	0	112.4	N464 M467 F479 A665 M666 Q671 C672 T675	N464-L669 HydrophobicContact CB-CD2 3.84Å; M467-L669 HydrophobicContact CB-CD1 3.62Å; F479-L669 HydrophobicContact CE2-CD1 3.72Å; F479-L669 HydrophobicContact CZ-CD1 3.59Å; A665-L669 WeakPolarHBondContact O-CB 3.04Å; A665-L669 PolarHBondContact O-N 3.24Å; M666-L669 PolarHBondContact O-N 3.09Å; M666-L669 VanDerWaalsContact O-N 3.15Å; L669-Q671 PolarHBondContact O-N 3.31Å; L669-C672 VanDerWaalsContact O-CB 3.28Å; L669-C672 WeakPolarHBondContact O-CB 3.44Å; L669-C672 PolarHBondContact O-N 3.16Å; L669-T675 HydrophobicContact CD1-CG2 3.73Å; L669-T675 HydrophobicContact CG-CG2 4.16Å; L669-T675 PolarHBondContact O-OG1 3.1Å
670	R	91.3	Very high	90.7	Very high	43 Å²	43	45.9 Å²	45.9	16%	0.162	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-3.7	-177.5	-68.3	-63.4	-178.6	-113	8	115.1	M666 S668 C672 T675 E680	M666-R670 WeakPolarHBondContact O-CB 3.35Å; M666-R670 WeakPolarHBondContact O-CG 3.04Å; M666-R670 PolarHBondContact O-N 3.39Å; S668-R670 VanDerWaalsContact C-N 3.27Å; S668-R670 PolarHBondContact O-N 2.94Å; R670-C672 PolarHBondContact O-N 2.86Å; R670-T675 PolarHBondContact NH1-O 3.03Å; R670-T675 PolarHBondContact NH1-OG1 3.27Å; R670-E680 WeakPolarHBondContact CD-OE1 3.23Å; R670-E680 IonicContact CZ-OE1 3.16Å; R670-E680 IonicContact CZ-OE2 3.33Å; R670-E680 IonicContact NE-OE1 3.42Å; R670-E680 PolarHBondContact NE-OE1 3.02Å; R670-E680 IonicContact NE-OE2 2.64Å; R670-E680 PolarHBondContact NE-OE2 3.23Å; R670-E680 IonicContact NH2-OE1 3.63Å; R670-E680 IonicContact NH2-OE2 3.09Å; R670-E680 PolarHBondContact NH2-OE2 3.08Å
671	Q	93.4	Very high	90.5	Very high	130 Å²	130	42 Å²	42	61%	0.607	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.7	161.5	-58.7	-60.5	-55.7	0	0	111.8	Y471 S667 S668 L669	Y471-Q671 HydrophobicContact CD1-CB 4.3Å; Y471-Q671 HydrophobicContact CD1-CG 4.4Å; Y471-Q671 HydrophobicContact CE1-CB 3.44Å; Y471-Q671 VanDerWaalsContact CE1-CB 3.44Å; Y471-Q671 HydrophobicContact CE1-CG 3.52Å; Y471-Q671 HydrophobicContact CE2-CB 4.1Å; Y471-Q671 WeakPolarHBondContact OH-CB 3.03Å; S667-Q671 PolarHBondContact O-NE2 2.91Å; S668-Q671 WeakPolarHBondContact O-CB 3.47Å; S668-Q671 WeakPolarHBondContact O-CG 3.39Å; S668-Q671 PolarHBondContact O-N 2.83Å; L669-Q671 PolarHBondContact O-N 3.31Å
672	C	92	Very high	90.5	Very high	6 Å²	6	37.3 Å²	37.3	4%	0.041	21%	0.211	C	C	.	.	S	Bend	trans	-94.2	93.9	170.7	-55.4	0	0	0	0	109.5	Y471 C477 L669 R670 D674 T675	Y471-C672 WeakPolarHBondContact CD2-SG 3.3Å; Y471-C672 VanDerWaalsContact CE2-SG 3.55Å; C477-C672 WeakPolarHBondContact CA-SG 3.34Å; C477-C672 HydrophobicContact CB-CB 3.66Å; C477-C672 WeakPolarHBondContact CB-SG 3.35Å; C477-C672 WeakPolarHBondContact SG-CA 3.32Å; C477-C672 WeakPolarHBondContact SG-CB 3.44Å; C477-C672 CovalentContact SG-SG 2.04Å; C477-C672 PolarHBondContact SG-SG 3.32Å; L669-C672 VanDerWaalsContact O-CB 3.28Å; L669-C672 WeakPolarHBondContact O-CB 3.44Å; L669-C672 PolarHBondContact O-N 3.16Å; R670-C672 PolarHBondContact O-N 2.86Å; C672-D674 PolarHBondContact O-N 3.04Å; C672-D674 VanDerWaalsContact O-N 3.1Å; C672-T675 HydrophobicContact CB-CG2 3.67Å; C672-T675 WeakPolarHBondContact O-CB 3.25Å; C672-T675 WeakPolarHBondContact O-CG2 3.48Å; C672-T675 PolarHBondContact O-N 3.31Å; C672-T675 PolarHBondContact O-OG1 2.88Å
673	A	84.4	Confident	90.2	Very high	66 Å²	66	37.5 Å²	37.5	55%	0.545	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-53.7	-33.7	-173.4	0	0	0	0	0	113.8	T675 A676 K681	A673-T675 PolarHBondContact O-N 2.9Å; A673-T675 VanDerWaalsContact O-N 3.16Å; A673-A676 PolarHBondContact O-N 2.97Å; A673-K681 WeakPolarHBondContact O-CE 3.41Å
674	D	85.9	Confident	89.9	Confident	150 Å²	150	39.2 Å²	39.2	80%	0.802	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-66.3	-16.3	179.8	-62.2	-30.7	0	0	0	113.8	C672	C672-D674 PolarHBondContact O-N 3.04Å; C672-D674 VanDerWaalsContact O-N 3.1Å
675	T	87.9	Confident	89.6	Confident	33 Å²	33	37 Å²	37	20%	0.202	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-81.7	-17.1	178.8	69.5	0	0	0	0	113.2	F479 L669 R670 C672 A673	F479-T675 HydrophobicContact CE2-CG2 3.9Å; L669-T675 HydrophobicContact CD1-CG2 3.73Å; L669-T675 HydrophobicContact CG-CG2 4.16Å; L669-T675 PolarHBondContact O-OG1 3.1Å; R670-T675 PolarHBondContact NH1-O 3.03Å; R670-T675 PolarHBondContact NH1-OG1 3.27Å; C672-T675 HydrophobicContact CB-CG2 3.67Å; C672-T675 WeakPolarHBondContact O-CB 3.25Å; C672-T675 WeakPolarHBondContact O-CG2 3.48Å; C672-T675 PolarHBondContact O-N 3.31Å; C672-T675 PolarHBondContact O-OG1 2.88Å; A673-T675 PolarHBondContact O-N 2.9Å; A673-T675 VanDerWaalsContact O-N 3.16Å
676	A	88.1	Confident	89	Confident	11 Å²	11	36.9 Å²	36.9	9%	0.091	21%	0.209	C	C	.	.	S	Bend	trans	-77.2	139.1	175.8	0	0	0	0	0	110.1	A673 E680 K681	A673-A676 PolarHBondContact O-N 2.97Å; A676-E680 HydrophobicContact CB-CB 4.41Å; A676-E680 HydrophobicContact CB-CG 4.43Å; A676-K681 HydrophobicContact CB-CG 3.88Å; A676-K681 WeakPolarHBondContact O-CE 3.35Å; A676-K681 PolarHBondContact O-NZ 3.39Å
677	S	86.3	Confident	88	Confident	32 Å²	32	38.4 Å²	38.4	22%	0.224	22%	0.222	C	C	.	.			trans	-68	159.4	173.7	71.6	0	0	0	0	110.9	E378 L679 E680 K681	E378-S677 WeakPolarHBondContact OE1-CB 3.4Å; E378-S677 PolarHBondContact OE1-OG 2.91Å; S677-L679 PolarHBondContact O-N 3.43Å; S677-E680 PolarHBondContact O-N 3.34Å; S677-E680 VanDerWaalsContact O-N 3.12Å; S677-E680 PolarHBondContact OG-N 3.18Å; S677-K681 WeakPolarHBondContact O-CG 3.41Å; S677-K681 PolarHBondContact O-N 2.94Å
678	D	87.4	Confident	87	Confident	58 Å²	58	36.5 Å²	36.5	31%	0.31	21%	0.209	S	C	.	.	H	α-helix	trans	-59.3	-37.8	178.7	-72	-8	0	0	0	111.7	N310 K681 S682	N310-D678 PolarHBondContact ND2-OD2 3.5Å; D678-K681 PolarHBondContact O-N 3.07Å; D678-S682 WeakPolarHBondContact O-CB 2.97Å; D678-S682 PolarHBondContact O-N 3.15Å; D678-S682 PolarHBondContact O-OG 3.14Å
679	L	89	Confident	85.6	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.016	21%	0.208	C	C	.	.	H	α-helix	trans	-63.5	-46.1	174.7	-179.8	61.4	0	0	0	111.4	L315 E378 F381 K382 T401 S677 K681 S682 C683	L315-L679 HydrophobicContact CD1-CD1 4.07Å; L315-L679 HydrophobicContact CD2-CD1 3.78Å; E378-L679 HydrophobicContact CB-CB 4.46Å; E378-L679 HydrophobicContact CB-CD2 3.69Å; E378-L679 HydrophobicContact CG-CB 4.35Å; E378-L679 HydrophobicContact CG-CD2 3.9Å; F381-L679 HydrophobicContact CB-CD2 3.93Å; F381-L679 HydrophobicContact CD2-CD2 3.92Å; F381-L679 HydrophobicContact CG-CD2 4.46Å; K382-L679 HydrophobicContact CG-CD1 4.1Å; T401-L679 HydrophobicContact CG2-CD2 4.37Å; S677-L679 PolarHBondContact O-N 3.43Å; L679-K681 VanDerWaalsContact C-N 3.35Å; L679-K681 PolarHBondContact O-N 3.36Å; L679-S682 WeakPolarHBondContact O-CB 3.44Å; L679-S682 PolarHBondContact O-N 3.18Å; L679-C683 PolarHBondContact O-N 2.98Å; L679-C683 PolarHBondContact O-SG 2.85Å
680	E	88.6	Confident	83.9	Confident	7 Å²	7	42.3 Å²	42.3	3%	0.033	23%	0.233	C	C	.	.	H	α-helix	trans	-60.6	-45	177.5	-173.1	-176.6	150.8	0	0	111.6	Y400 T401 K404 R670 A676 S677 S682 C683 T684	Y400-E680 WeakPolarHBondContact CE1-OE1 3.27Å; T401-E680 HydrophobicContact CG2-CB 4.3Å; K404-E680 HydrophobicContact CB-CG 4.24Å; K404-E680 HydrophobicContact CG-CG 4.21Å; R670-E680 WeakPolarHBondContact CD-OE1 3.23Å; R670-E680 IonicContact CZ-OE1 3.16Å; R670-E680 IonicContact CZ-OE2 3.33Å; R670-E680 IonicContact NE-OE1 3.42Å; R670-E680 PolarHBondContact NE-OE1 3.02Å; R670-E680 IonicContact NE-OE2 2.64Å; R670-E680 PolarHBondContact NE-OE2 3.23Å; R670-E680 IonicContact NH2-OE1 3.63Å; R670-E680 IonicContact NH2-OE2 3.09Å; R670-E680 PolarHBondContact NH2-OE2 3.08Å; A676-E680 HydrophobicContact CB-CB 4.41Å; A676-E680 HydrophobicContact CB-CG 4.43Å; S677-E680 PolarHBondContact O-N 3.34Å; S677-E680 VanDerWaalsContact O-N 3.12Å; S677-E680 PolarHBondContact OG-N 3.18Å; E680-S682 VanDerWaalsContact C-N 3.3Å; E680-S682 PolarHBondContact O-N 3.18Å; E680-C683 PolarHBondContact O-N 3.45Å; E680-T684 WeakPolarHBondContact O-CB 3.3Å; E680-T684 WeakPolarHBondContact O-CG2 3.19Å; E680-T684 PolarHBondContact O-N 2.68Å; E680-T684 PolarHBondContact O-OG1 3.08Å
681	K	89.4	Confident	81.6	Confident	53 Å²	53	49 Å²	49	23%	0.23	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-43.6	175.7	-70.7	168.4	179.1	164.2	0	111.1	P308 A673 A676 S677 D678 L679 T684 F685	P308-K681 HydrophobicContact CB-CB 3.84Å; P308-K681 HydrophobicContact CG-CB 3.97Å; A673-K681 WeakPolarHBondContact O-CE 3.41Å; A676-K681 HydrophobicContact CB-CG 3.88Å; A676-K681 WeakPolarHBondContact O-CE 3.35Å; A676-K681 PolarHBondContact O-NZ 3.39Å; S677-K681 WeakPolarHBondContact O-CG 3.41Å; S677-K681 PolarHBondContact O-N 2.94Å; D678-K681 PolarHBondContact O-N 3.07Å; L679-K681 VanDerWaalsContact C-N 3.35Å; L679-K681 PolarHBondContact O-N 3.36Å; K681-T684 PolarHBondContact O-N 3.44Å; K681-T684 PolarHBondContact O-OG1 3.05Å; K681-F685 WeakPolarHBondContact O-CB 3.42Å; K681-F685 PolarHBondContact O-N 3.42Å
682	S	89.6	Confident	81	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.014	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-49.9	178.7	-55.2	0	0	0	0	111.6	T311 D678 L679 E680 T684 F685	T311-S682 PolarHBondContact OG1-OG 3.22Å; D678-S682 WeakPolarHBondContact O-CB 2.97Å; D678-S682 PolarHBondContact O-N 3.15Å; D678-S682 PolarHBondContact O-OG 3.14Å; L679-S682 WeakPolarHBondContact O-CB 3.44Å; L679-S682 PolarHBondContact O-N 3.18Å; E680-S682 VanDerWaalsContact C-N 3.3Å; E680-S682 PolarHBondContact O-N 3.18Å; S682-T684 PolarHBondContact O-N 2.68Å; S682-F685 WeakPolarHBondContact O-CB 3.4Å; S682-F685 PolarHBondContact O-N 3.36Å
683	C	87.5	Confident	80.5	Confident	5 Å²	5	46.9 Å²	46.9	3%	0.034	28%	0.277	C	S	.	.	H	α-helix	trans	-66.6	-20.5	-179.4	-65.8	0	0	0	0	113.8	K404 C405 L679 E680	K404-C683 WeakPolarHBondContact O-CB 3.48Å; C405-C683 VanDerWaalsContact CA-SG 3.6Å; C405-C683 HydrophobicContact CB-CB 3.87Å; C405-C683 WeakPolarHBondContact CB-SG 3.41Å; C405-C683 WeakPolarHBondContact SG-CB 3.31Å; C405-C683 CovalentContact SG-SG 2.04Å; C405-C683 PolarHBondContact SG-SG 3.35Å; L679-C683 PolarHBondContact O-N 2.98Å; L679-C683 PolarHBondContact O-SG 2.85Å; E680-C683 PolarHBondContact O-N 3.45Å
684	T	86.2	Confident	80.2	Confident	52 Å²	52	45.9 Å²	45.9	32%	0.319	26%	0.262	S	S	.	.	H	α-helix	trans	-107.7	1.7	-179.8	58.1	0	0	0	0	113.3	K404 E680 K681 S682	K404-T684 HydrophobicContact CB-CG2 3.98Å; K404-T684 HydrophobicContact CD-CG2 3.96Å; K404-T684 HydrophobicContact CG-CG2 4.25Å; E680-T684 WeakPolarHBondContact O-CB 3.3Å; E680-T684 WeakPolarHBondContact O-CG2 3.19Å; E680-T684 PolarHBondContact O-N 2.68Å; E680-T684 PolarHBondContact O-OG1 3.08Å; K681-T684 PolarHBondContact O-N 3.44Å; K681-T684 PolarHBondContact O-OG1 3.05Å; S682-T684 PolarHBondContact O-N 2.68Å
685	F	87.4	Confident	79.9	Confident	37 Å²	37	39.8 Å²	39.8	16%	0.162	23%	0.23	C	C	.	.	H	α-helix	trans	-65.8	-45	-178.1	178.5	-110.2	0	0	0	112.2	A92 T101 V305 P306 V307 P308 Y316 K681 S682	A92-F685 HydrophobicContact CB-CE1 3.78Å; A92-F685 HydrophobicContact CB-CZ 3.82Å; T101-F685 HydrophobicContact CG2-CE1 4.42Å; T101-F685 HydrophobicContact CG2-CZ 4.17Å; V305-F685 HydrophobicContact CB-CZ 4.45Å; V305-F685 HydrophobicContact CG1-CE2 3.8Å; V305-F685 HydrophobicContact CG1-CZ 4.03Å; P306-F685 WeakPolarHBondContact O-CE2 3.02Å; V307-F685 HydrophobicContact CB-CZ 4.47Å; V307-F685 HydrophobicContact CG2-CE1 3.93Å; V307-F685 HydrophobicContact CG2-CZ 3.95Å; P308-F685 HydrophobicContact CG-CB 4.07Å; P308-F685 HydrophobicContact CG-CD2 3.88Å; P308-F685 HydrophobicContact CG-CG 4.16Å; Y316-F685 HydrophobicContact CE2-CE1 4.15Å; K681-F685 WeakPolarHBondContact O-CB 3.42Å; K681-F685 PolarHBondContact O-N 3.42Å; S682-F685 WeakPolarHBondContact O-CB 3.4Å; S682-F685 PolarHBondContact O-N 3.36Å
686	H	81	Confident	79.4	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.232	C	C	.	.			trans	-98.4	120.8	176.8	-71.1	-59.6	0	0	0	110.6	T101 Y316 C688 Q689	T101-H686 PolarHBondContact O-CE1 3.42Å; T101-H686 PolarHBondContact O-ND1 3.32Å; T101-H686 PolarHBondContact OG1-ND1 2.86Å; Y316-H686 AromaticContact CD2-NE2 3.35Å; Y316-H686 VanDerWaalsContact CD2-NE2 3.35Å; Y316-H686 WeakPolarHBondContact CD2-NE2 3.1Å; Y316-H686 AromaticContact CE1-NE2 3.86Å; Y316-H686 AromaticContact CE2-CE1 3.63Å; Y316-H686 AromaticContact CE2-NE2 3.1Å; Y316-H686 WeakPolarHBondContact CE2-NE2 3.22Å; Y316-H686 AromaticContact CG-NE2 3.82Å; Y316-H686 AromaticContact CZ-CE1 3.64Å; Y316-H686 AromaticContact CZ-NE2 3.34Å; Y316-H686 VanDerWaalsContact CZ-NE2 3.34Å; Y316-H686 PolarHBondContact O-CD2 3.16Å; Y316-H686 PolarHBondContact O-NE2 2.76Å; H686-C688 PolarHBondContact O-N 3.01Å; H686-C688 VanDerWaalsContact O-N 3.14Å; H686-Q689 HydrophobicContact CB-CG 3.91Å; H686-Q689 PolarHBondContact O-N 2.74Å
687	A	72.2	Confident	78.8	Confident	34 Å²	34	42.1 Å²	42.1	28%	0.281	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-63.6	-16.4	170	0	0	0	0	0	113	R253 Q689	R253-A687 PolarHBondContact NH1-O 3.48Å; A687-Q689 VanDerWaalsContact C-N 3.35Å
688	C	71.6	Confident	78.3	Confident	16 Å²	16	42.9 Å²	42.9	11%	0.108	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-81.9	-7.2	177.2	46.5	0	0	0	0	115.2	C102 R253 H686	C102-C688 HydrophobicContact CB-CB 3.61Å; C102-C688 WeakPolarHBondContact CB-SG 3.05Å; C102-C688 WeakPolarHBondContact SG-CB 3.41Å; C102-C688 PolarHBondContact SG-N 3.1Å; C102-C688 CovalentContact SG-SG 2.04Å; C102-C688 PolarHBondContact SG-SG 3.24Å; R253-C688 HydrophobicContact CB-CB 4.17Å; R253-C688 HydrophobicContact CG-CB 3.56Å; H686-C688 PolarHBondContact O-N 3.01Å; H686-C688 VanDerWaalsContact O-N 3.14Å
689	Q	64.5	Low	77.6	Confident	41 Å²	41	41.7 Å²	41.7	19%	0.192	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-91.9	-2.5	173	-65.1	-179.1	-11.9	0	0	112.6	L315 Y316 G318 H686 A687	L315-Q689 PolarHBondContact O-NE2 3.26Å; L315-Q689 PolarHBondContact O-OE1 3.47Å; Y316-Q689 PolarHBondContact O-NE2 2.84Å; G318-Q689 VanDerWaalsContact N-NE2 3.13Å; H686-Q689 HydrophobicContact CB-CG 3.91Å; H686-Q689 PolarHBondContact O-N 2.74Å; A687-Q689 VanDerWaalsContact C-N 3.35Å
690	Q	58.7	Low	76.6	Confident	109 Å²	109	44.9 Å²	44.9	51%	0.509	26%	0.256	S	S	.	.			trans	-84.7	129.7	174	-63.2	-170.3	-6.4	0	0	109.2
691	P	42.8	Very low	75.5	Confident	183 Å²	183	48.4 Å²	48.4	100%	1.188	28%	0.276	S	S	*	.			trans	-66.3	0	-177.2	25.5	-33	0	0	0	114.1

Retrieved 691 of 691 residues in 227.8 ms (Link to these results)

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