A0A077ZHV8_TRITR Loading...

Pyruvate kinase

AlphaFold DB , UniProt , Accession A0A077ZHV8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 523 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	32	Very low	236 Å²	236	120.5 Å²	120.5	100%	1.163	68%	0.675	S	S	*	*				0	92.3	0	-78	177	-173.9	0	0	108.2
2	V	29.1	Very low	32.9	Very low	142 Å²	142	115.1 Å²	115.1	86%	0.861	64%	0.643	S	S	*	*			trans	-91.8	104.5	165.9	-179.7	0	0	0	0	105.2	S4	V2-S4 VanDerWaalsContact C-N 3.29Å; V2-S4 PolarHBondContact O-N 3.11Å
3	V	28.3	Very low	33.8	Very low	128 Å²	128	113.8 Å²	113.8	78%	0.776	63%	0.627	S	S	*	*			trans	-68.4	93	173.2	-179.4	0	0	0	0	106.2	K5	V3-K5 PolarHBondContact O-N 2.72Å; V3-K5 VanDerWaalsContact O-N 3.08Å
4	S	28	Very low	34.3	Very low	73 Å²	73	112.4 Å²	112.4	51%	0.51	62%	0.618	S	S	.	*			trans	-65.8	108.4	168.9	67.2	0	0	0	0	107	V2 V6	V2-S4 VanDerWaalsContact C-N 3.29Å; V2-S4 PolarHBondContact O-N 3.11Å; S4-V6 PolarHBondContact O-N 3.07Å
5	K	27.2	Very low	35.3	Very low	190 Å²	190	105.7 Å²	105.7	83%	0.826	58%	0.582	S	S	*	*			trans	-52.3	115.4	165.2	-85.7	-179.8	172.6	178.9	0	107.3	V3 V7	V3-K5 PolarHBondContact O-N 2.72Å; V3-K5 VanDerWaalsContact O-N 3.08Å; K5-V7 PolarHBondContact O-N 3.11Å
6	V	31.3	Very low	36.7	Very low	96 Å²	96	103.4 Å²	103.4	58%	0.582	57%	0.566	S	S	*	*			trans	-66.9	101.9	169.8	175.7	0	0	0	0	105.5	S4 S8	S4-V6 PolarHBondContact O-N 3.07Å; V6-S8 PolarHBondContact O-N 3.3Å
7	V	29.6	Very low	38.5	Very low	119 Å²	119	108.1 Å²	108.1	72%	0.721	57%	0.573	S	S	*	*			trans	-64.5	127.6	168	-177.1	0	0	0	0	106.3	K5	K5-V7 PolarHBondContact O-N 3.11Å
8	S	32.5	Very low	41.1	Very low	76 Å²	76	102.5 Å²	102.5	53%	0.531	54%	0.544	S	S	.	.			trans	-50.5	146.8	174.9	36.7	0	0	0	0	110.9	V6 E10	V6-S8 PolarHBondContact O-N 3.3Å; S8-E10 PolarHBondContact O-N 3.32Å
9	N	42	Very low	43.6	Very low	99 Å²	99	108.8 Å²	108.8	53%	0.529	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.5	30.6	-178.4	-113.1	-2.3	0	0	0	115.2	K13	N9-K13 WeakPolarHBondContact O-CG 3.3Å
10	E	33.1	Very low	46.1	Very low	125 Å²	125	106.7 Å²	106.7	58%	0.584	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-37.4	-175.6	-71.8	-172.6	149.3	0	0	113.4	S8 N12 K13	S8-E10 PolarHBondContact O-N 3.32Å; E10-N12 VanDerWaalsContact C-N 3.34Å; E10-N12 PolarHBondContact O-N 2.85Å; E10-K13 WeakPolarHBondContact O-CB 3.36Å; E10-K13 PolarHBondContact O-N 2.79Å; E10-K13 VanDerWaalsContact O-N 3.1Å
11	A	35.4	Very low	48.3	Very low	41 Å²	41	106.6 Å²	106.6	34%	0.339	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.3	-37.4	179.4	0	0	0	0	0	112.8	K13 D14	A11-K13 PolarHBondContact O-N 2.89Å; A11-K13 VanDerWaalsContact O-N 3.11Å; A11-D14 PolarHBondContact O-N 3.24Å
12	N	43.1	Very low	51.2	Low	56 Å²	56	101.5 Å²	101.5	30%	0.299	53%	0.528	S	S	.	.	H	α-helix	trans	-69.2	-7.7	176.5	-113.4	-10.6	0	0	0	114.2	E10	E10-N12 VanDerWaalsContact C-N 3.34Å; E10-N12 PolarHBondContact O-N 2.85Å
13	K	44	Very low	54.4	Low	98 Å²	98	98 Å²	98	43%	0.426	50%	0.502	S	S	.	.	H	α-helix	trans	-76	-29	178.6	-69.5	176.4	-177.2	171.9	0	112.6	N9 E10 A11 R17	N9-K13 WeakPolarHBondContact O-CG 3.3Å; E10-K13 WeakPolarHBondContact O-CB 3.36Å; E10-K13 PolarHBondContact O-N 2.79Å; E10-K13 VanDerWaalsContact O-N 3.1Å; A11-K13 PolarHBondContact O-N 2.89Å; A11-K13 VanDerWaalsContact O-N 3.11Å; K13-R17 WeakPolarHBondContact O-CD 3.36Å; K13-R17 VanDerWaalsContact O-CG 3.26Å; K13-R17 WeakPolarHBondContact O-CG 3.24Å
14	D	41.1	Very low	57.6	Low	95 Å²	95	92.3 Å²	92.3	51%	0.508	47%	0.467	S	S	.	.	H	α-helix	trans	-82.1	-36.5	-173.2	-76.3	-19.6	0	0	0	112.5	A11 Q16 R17	A11-D14 PolarHBondContact O-N 3.24Å; D14-Q16 VanDerWaalsContact C-N 3.35Å; D14-Q16 PolarHBondContact O-N 2.9Å; D14-R17 PolarHBondContact O-N 2.92Å
15	T	48.8	Very low	60.8	Low	12 Å²	12	92.8 Å²	92.8	7%	0.074	47%	0.467	C	S	.	.	H	α-helix	trans	-66.5	-33.7	177.2	53.9	0	0	0	0	113	S18 H24 H27	T15-S18 PolarHBondContact O-OG 3.23Å; T15-H24 PolarHBondContact O-ND1 3.33Å; T15-H27 HydrophobicContact CG2-CB 4.35Å
16	Q	57.7	Low	64.1	Low	69 Å²	69	88.4 Å²	88.4	32%	0.322	46%	0.459	S	S	.	.	H	α-helix	trans	-79.1	-16.1	176	-71.3	-168.7	-0.5	0	0	114.2	D14	D14-Q16 VanDerWaalsContact C-N 3.35Å; D14-Q16 PolarHBondContact O-N 2.9Å
17	R	67.7	Low	67.1	Low	182 Å²	182	87.9 Å²	87.9	69%	0.687	45%	0.45	S	S	*	.	H	α-helix	trans	-87.4	-7.5	176.7	-78.5	176.1	175.5	-171.4	-1.5	113.9	K13 D14 R19	K13-R17 WeakPolarHBondContact O-CD 3.36Å; K13-R17 VanDerWaalsContact O-CG 3.26Å; K13-R17 WeakPolarHBondContact O-CG 3.24Å; D14-R17 PolarHBondContact O-N 2.92Å; R17-R19 PolarHBondContact O-N 2.92Å
18	S	85.6	Confident	70.2	Confident	8 Å²	8	85.6 Å²	85.6	6%	0.056	43%	0.434	C	S	.	.			trans	-57.9	134.2	177.5	-64	0	0	0	0	110.1	T15 H24 H27 F381	T15-S18 PolarHBondContact O-OG 3.23Å; S18-H24 WeakPolarHBondContact OG-CA 3.4Å; S18-H27 PolarHBondContact OG-ND1 2.86Å; S18-F381 VanDerWaalsContact O-CZ 3.32Å; S18-F381 WeakPolarHBondContact O-CZ 3.11Å
19	R	88.3	Confident	73.2	Confident	222 Å²	222	85.3 Å²	85.3	84%	0.838	43%	0.426	S	S	*	.	S	Bend	trans	-93.6	-20.2	-177.3	-60.1	177.9	-177.2	174.9	1.7	112.4	R17 E23	R17-R19 PolarHBondContact O-N 2.92Å; R19-E23 WeakPolarHBondContact CB-OE2 3.07Å; R19-E23 PolarHBondContact N-OE2 2.84Å
20	T	92.9	Very high	75.7	Confident	66 Å²	66	87.9 Å²	87.9	41%	0.405	44%	0.438	S	S	.	.	S	Bend	trans	-136.8	159.6	-177.7	67.2	0	0	0	0	110.2	I22 E23 H24 F381	T20-I22 VanDerWaalsContact C-N 3.31Å; T20-I22 PolarHBondContact O-N 2.79Å; T20-I22 WeakPolarHBondContact OG1-CG2 3.38Å; T20-E23 PolarHBondContact O-N 3.24Å; T20-E23 VanDerWaalsContact OG1-CB 3.31Å; T20-E23 WeakPolarHBondContact OG1-CB 3.07Å; T20-E23 PolarHBondContact OG1-N 3Å; T20-H24 WeakPolarHBondContact O-CB 3.34Å; T20-H24 PolarHBondContact O-N 2.96Å; T20-F381 WeakPolarHBondContact O-CE1 3.38Å
21	L	94	Very high	78.7	Confident	105 Å²	105	88.5 Å²	88.5	55%	0.55	45%	0.446	S	S	.	.	H	α-helix	trans	-62	-39.3	176.7	179	61.7	0	0	0	112	H24 V25 F381	L21-H24 WeakPolarHBondContact O-CB 3.38Å; L21-H24 PolarHBondContact O-N 3.36Å; L21-V25 HydrophobicContact CD1-CG2 4.23Å; L21-V25 WeakPolarHBondContact O-CG2 3.42Å; L21-V25 PolarHBondContact O-N 2.85Å; L21-F381 HydrophobicContact CD1-CD1 4.02Å
22	I	96.2	Very high	81.4	Confident	129 Å²	129	88.1 Å²	88.1	66%	0.662	44%	0.438	S	S	*	.	H	α-helix	trans	-66.4	-41.5	-179.2	-166	162.2	0	0	0	111.6	T20 H24 V25 C26	T20-I22 VanDerWaalsContact C-N 3.31Å; T20-I22 PolarHBondContact O-N 2.79Å; T20-I22 WeakPolarHBondContact OG1-CG2 3.38Å; I22-H24 VanDerWaalsContact C-N 3.35Å; I22-V25 PolarHBondContact O-N 3.08Å; I22-C26 PolarHBondContact O-N 2.83Å; I22-C26 PolarHBondContact O-SG 3.4Å; I22-C26 VanDerWaalsContact O-SG 3.32Å
23	E	95.8	Very high	83.6	Confident	68 Å²	68	89.3 Å²	89.3	32%	0.318	45%	0.448	S	S	.	.	H	α-helix	trans	-62.3	-43.6	173.9	-177.3	179.2	-156.5	0	0	111.2	R19 T20 V25 C26 H27	R19-E23 WeakPolarHBondContact CB-OE2 3.07Å; R19-E23 PolarHBondContact N-OE2 2.84Å; T20-E23 PolarHBondContact O-N 3.24Å; T20-E23 VanDerWaalsContact OG1-CB 3.31Å; T20-E23 WeakPolarHBondContact OG1-CB 3.07Å; T20-E23 PolarHBondContact OG1-N 3Å; E23-V25 VanDerWaalsContact C-N 3.34Å; E23-V25 PolarHBondContact O-N 3.29Å; E23-C26 PolarHBondContact O-N 2.93Å; E23-H27 VanDerWaalsContact CG-CE1 3.4Å; E23-H27 WeakPolarHBondContact CG-CE1 3.43Å; E23-H27 PolarHBondContact O-N 2.8Å; E23-H27 VanDerWaalsContact O-N 3.15Å; E23-H27 PolarHBondContact O-ND1 2.93Å; E23-H27 VanDerWaalsContact O-ND1 3.07Å; E23-H27 IonicContact OE1-CE1 2.64Å
24	H	95.5	Very high	85.7	Confident	9 Å²	9	87.4 Å²	87.4	4%	0.042	45%	0.445	C	S	.	.	H	α-helix	trans	-58.1	-46.1	176	177	76.4	0	0	0	112	T15 S18 T20 L21 I22 C26 H27 L28 V379 F381	T15-H24 PolarHBondContact O-ND1 3.33Å; S18-H24 WeakPolarHBondContact OG-CA 3.4Å; T20-H24 WeakPolarHBondContact O-CB 3.34Å; T20-H24 PolarHBondContact O-N 2.96Å; L21-H24 WeakPolarHBondContact O-CB 3.38Å; L21-H24 PolarHBondContact O-N 3.36Å; I22-H24 VanDerWaalsContact C-N 3.35Å; H24-C26 PolarHBondContact O-N 2.82Å; H24-H27 PolarHBondContact O-N 3.09Å; H24-L28 PolarHBondContact O-N 2.99Å; H24-V379 PolarHBondContact NE2-O 2.91Å; H24-F381 HydrophobicContact CB-CD1 3.74Å; H24-F381 HydrophobicContact CB-CD2 4.39Å; H24-F381 HydrophobicContact CB-CE1 3.74Å; H24-F381 HydrophobicContact CB-CE2 4.37Å; H24-F381 HydrophobicContact CB-CG 4.1Å; H24-F381 HydrophobicContact CB-CZ 4.07Å; H24-F381 AromaticContact CD2-CG 3.87Å; H24-F381 AromaticContact CG-CD1 3.78Å; H24-F381 AromaticContact CG-CD2 3.96Å; H24-F381 AromaticContact CG-CG 3.65Å; H24-F381 AromaticContact ND1-CD2 3.71Å; H24-F381 AromaticContact ND1-CG 3.83Å
25	V	95.4	Very high	87.6	Confident	83 Å²	83	85.5 Å²	85.5	50%	0.503	43%	0.433	S	S	.	.	H	α-helix	trans	-65	-38.6	178.4	174	0	0	0	0	111.8	L21 I22 E23 H27 L28	L21-V25 HydrophobicContact CD1-CG2 4.23Å; L21-V25 WeakPolarHBondContact O-CG2 3.42Å; L21-V25 PolarHBondContact O-N 2.85Å; I22-V25 PolarHBondContact O-N 3.08Å; E23-V25 VanDerWaalsContact C-N 3.34Å; E23-V25 PolarHBondContact O-N 3.29Å; V25-H27 PolarHBondContact O-N 3.14Å; V25-L28 WeakPolarHBondContact O-CG 3.49Å; V25-L28 PolarHBondContact O-N 2.83Å
26	C	96.1	Very high	88.9	Confident	99 Å²	99	93.5 Å²	93.5	67%	0.669	46%	0.462	S	S	*	.	H	α-helix	trans	-63.9	-28.8	176.3	-73.1	0	0	0	0	113.4	I22 E23 H24	I22-C26 PolarHBondContact O-N 2.83Å; I22-C26 PolarHBondContact O-SG 3.4Å; I22-C26 VanDerWaalsContact O-SG 3.32Å; E23-C26 PolarHBondContact O-N 2.93Å; H24-C26 PolarHBondContact O-N 2.82Å
27	H	95	Very high	90.2	Very high	84 Å²	84	92.3 Å²	92.3	39%	0.389	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-1.1	179.9	-66.5	136.7	0	0	0	114.2	T15 S18 E23 H24 V25 N29	T15-H27 HydrophobicContact CG2-CB 4.35Å; S18-H27 PolarHBondContact OG-ND1 2.86Å; E23-H27 VanDerWaalsContact CG-CE1 3.4Å; E23-H27 WeakPolarHBondContact CG-CE1 3.43Å; E23-H27 PolarHBondContact O-N 2.8Å; E23-H27 VanDerWaalsContact O-N 3.15Å; E23-H27 PolarHBondContact O-ND1 2.93Å; E23-H27 VanDerWaalsContact O-ND1 3.07Å; E23-H27 IonicContact OE1-CE1 2.64Å; H24-H27 PolarHBondContact O-N 3.09Å; V25-H27 PolarHBondContact O-N 3.14Å; H27-N29 PolarHBondContact O-N 2.83Å
28	L	94.7	Very high	91.5	Very high	72 Å²	72	85.3 Å²	85.3	38%	0.377	43%	0.43	S	S	.	.			trans	-64.1	126.4	176.3	-61	-175.2	0	0	0	110.5	H24 V25 V379	H24-L28 PolarHBondContact O-N 2.99Å; V25-L28 WeakPolarHBondContact O-CG 3.49Å; V25-L28 PolarHBondContact O-N 2.83Å; L28-V379 HydrophobicContact CD1-CB 4.45Å; L28-V379 HydrophobicContact CD2-CB 3.69Å; L28-V379 HydrophobicContact CD2-CG1 3.91Å
29	N	94.6	Very high	92.1	Very high	70 Å²	70	85.3 Å²	85.3	37%	0.374	43%	0.429	S	S	.	.			trans	-124.4	131.3	-179.4	-177.1	3.3	0	0	0	110.7	H27 D31 D32	H27-N29 PolarHBondContact O-N 2.83Å; N29-D31 PolarHBondContact O-N 3.38Å; N29-D31 PolarHBondContact OD1-N 3.27Å; N29-D32 PolarHBondContact ND2-OD1 2.96Å; N29-D32 PolarHBondContact O-N 2.96Å
30	I	95.6	Very high	92.5	Very high	153 Å²	153	74.8 Å²	74.8	79%	0.785	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-18.8	-179.1	62.3	172.3	0	0	0	113.2
31	D	95.7	Very high	92.8	Very high	138 Å²	138	71.7 Å²	71.7	74%	0.738	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-4.9	179.9	-64.3	-44.6	0	0	0	112.8	N29	N29-D31 PolarHBondContact O-N 3.38Å; N29-D31 PolarHBondContact OD1-N 3.27Å
32	D	91.9	Very high	93	Very high	33 Å²	33	66.7 Å²	66.7	18%	0.176	35%	0.345	C	S	.	.	S	Bend	trans	-67.7	146.9	178.3	-76.4	-7	0	0	0	111.5	N29 V34	N29-D32 PolarHBondContact ND2-OD1 2.96Å; N29-D32 PolarHBondContact O-N 2.96Å; D32-V34 PolarHBondContact O-N 3.38Å
33	P	89.1	Confident	93.1	Very high	80 Å²	80	60.6 Å²	60.6	52%	0.519	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-64.7	127.6	179.5	26.6	-33.6	0	0	0	111
34	V	88.9	Confident	93.3	Very high	58 Å²	58	57.3 Å²	57.3	35%	0.352	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-72.9	146.2	176.8	-170.6	0	0	0	0	110.8	D32 R36 C374 Q375	D32-V34 PolarHBondContact O-N 3.38Å; V34-R36 PolarHBondContact O-N 2.81Å; V34-C374 HydrophobicContact CG1-CB 3.74Å; V34-Q375 HydrophobicContact CG1-CB 4.5Å
35	E	79.3	Confident	93.4	Very high	56 Å²	56	57.1 Å²	57.1	26%	0.262	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-51.7	122.1	168.9	-177.9	62.8	-99.3	0	0	109.3	H37 K39 C374	E35-H37 VanDerWaalsContact C-N 3.3Å; E35-H37 WeakPolarHBondContact CG-O 3.31Å; E35-K39 WeakPolarHBondContact OE2-CE 3.21Å; E35-K39 IonicContact OE2-NZ 3.16Å; E35-K39 PolarHBondContact OE2-NZ 3.31Å; E35-C374 WeakPolarHBondContact O-CB 3.44Å
36	R	76.1	Confident	93.6	Very high	179 Å²	179	53.5 Å²	53.5	68%	0.675	28%	0.275	S	S	*	.	S	Bend	trans	-77.8	-23.9	-178.8	-70.5	-174.3	-179.8	-170	-2.4	111.8	V34	V34-R36 PolarHBondContact O-N 2.81Å
37	H	86.6	Confident	93.7	Very high	44 Å²	44	49 Å²	49	20%	0.204	25%	0.245	C	C	.	.	S	Bend	trans	-118.6	100.8	-169.9	-56.7	-60.1	0	0	0	111	E35 K39 K492 G493 Y494	E35-H37 VanDerWaalsContact C-N 3.3Å; E35-H37 WeakPolarHBondContact CG-O 3.31Å; H37-K39 PolarHBondContact O-N 2.83Å; H37-K492 PolarHBondContact CE1-O 2.94Å; H37-G493 VanDerWaalsContact NE2-C 3.33Å; H37-G493 PolarHBondContact NE2-O 2.96Å; H37-Y494 HydrophobicContact CB-CD1 4.09Å; H37-Y494 HydrophobicContact CB-CE1 3.91Å; H37-Y494 AromaticContact CD2-CD1 3.48Å; H37-Y494 VanDerWaalsContact CD2-CD1 3.48Å; H37-Y494 WeakPolarHBondContact CD2-CD1 3.43Å; H37-Y494 AromaticContact CE1-CD1 3.56Å; H37-Y494 AromaticContact CE1-CE1 3.73Å; H37-Y494 AromaticContact CG-CD1 3.41Å; H37-Y494 VanDerWaalsContact CG-CD1 3.41Å; H37-Y494 AromaticContact CG-CE1 3.47Å; H37-Y494 VanDerWaalsContact CG-CE1 3.47Å; H37-Y494 AromaticContact ND1-CD1 3.51Å; H37-Y494 AromaticContact ND1-CE1 3.29Å; H37-Y494 VanDerWaalsContact ND1-CE1 3.29Å; H37-Y494 WeakPolarHBondContact ND1-CE1 3.02Å; H37-Y494 AromaticContact NE2-CD1 3.54Å
38	R	94.8	Very high	93.8	Very high	35 Å²	35	50.1 Å²	50.1	13%	0.132	26%	0.26	C	S	.	.			trans	-62.3	123.2	-178.2	-173.2	-136.4	59.1	151.3	7.8	112.5	T40 G41 I42 G63 T65 C373 C374 E377	R38-T40 WeakPolarHBondContact CD-O 3.24Å; R38-T40 PolarHBondContact NE-O 3.16Å; R38-T40 PolarHBondContact NH1-O 3.17Å; R38-T40 PolarHBondContact NH2-O 3.14Å; R38-G41 VanDerWaalsContact NH1-CA 3.32Å; R38-I42 VanDerWaalsContact NH1-CG1 3.29Å; R38-G63 PolarHBondContact NH1-O 3.19Å; R38-T65 VanDerWaalsContact NH2-CG2 3.28Å; R38-C373 HydrophobicContact CG-CB 3.83Å; R38-C374 VanDerWaalsContact CB-SG 3.53Å; R38-E377 WeakPolarHBondContact CA-OE2 3.48Å
39	K	96.9	Very high	93.8	Very high	9 Å²	9	48.6 Å²	48.6	4%	0.039	26%	0.255	C	S	.	.			trans	-90.9	-33.1	-179.1	-63.5	167.4	-166.5	145.8	0	113.2	E35 H37 E377 P438 I440 H458 G459	E35-K39 WeakPolarHBondContact OE2-CE 3.21Å; E35-K39 IonicContact OE2-NZ 3.16Å; E35-K39 PolarHBondContact OE2-NZ 3.31Å; H37-K39 PolarHBondContact O-N 2.83Å; K39-E377 HydrophobicContact CB-CG 4.44Å; K39-E377 VanDerWaalsContact N-CD 3.3Å; K39-E377 PolarHBondContact N-OE1 2.81Å; K39-E377 PolarHBondContact N-OE2 3.29Å; K39-P438 VanDerWaalsContact CE-O 3.29Å; K39-P438 WeakPolarHBondContact CE-O 3.48Å; K39-P438 PolarHBondContact NZ-O 3.46Å; K39-I440 HydrophobicContact CG-CD1 4.42Å; K39-H458 VanDerWaalsContact CB-NE2 3.29Å; K39-H458 WeakPolarHBondContact CB-NE2 3.49Å; K39-H458 WeakPolarHBondContact O-CA 3.35Å; K39-G459 PolarHBondContact O-N 3.45Å
40	T	98.1	Very high	94	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-79.7	122.6	-177.2	-55	0	0	0	0	111.5	R38 V343 D348 V350 E377	R38-T40 WeakPolarHBondContact CD-O 3.24Å; R38-T40 PolarHBondContact NE-O 3.16Å; R38-T40 PolarHBondContact NH1-O 3.17Å; R38-T40 PolarHBondContact NH2-O 3.14Å; T40-V343 HydrophobicContact CG2-CG2 4.09Å; T40-D348 CarbonylContact C-O 3.56Å; T40-D348 WeakPolarHBondContact CA-O 3.29Å; T40-D348 WeakPolarHBondContact CG2-O 3.5Å; T40-V350 HydrophobicContact CG2-CG1 4.3Å; T40-V350 HydrophobicContact CG2-CG2 4.25Å; T40-E377 WeakPolarHBondContact CB-OE1 3.38Å; T40-E377 PolarHBondContact N-OE1 3.09Å; T40-E377 PolarHBondContact OG1-OE1 3.17Å
41	G	98.2	Very high	94.1	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	147.6	177.5	0	0	0	0	0	113.9	R38 D348 C349 V350	R38-G41 VanDerWaalsContact NH1-CA 3.32Å; G41-D348 PolarHBondContact N-O 2.97Å; G41-C349 CarbonylContact O-C 3.55Å; G41-C349 WeakPolarHBondContact O-CA 3.43Å; G41-V350 PolarHBondContact O-N 3.38Å
42	I	98.8	Very high	94.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.1	177.4	-69.9	166	0	0	0	107.5	R38 T65 I66 V350 V366 M369 H370	R38-I42 VanDerWaalsContact NH1-CG1 3.29Å; I42-T65 PolarHBondContact N-OG1 3.15Å; I42-T65 VanDerWaalsContact N-OG1 3.08Å; I42-T65 PolarHBondContact O-N 3.22Å; I42-T65 PolarHBondContact O-OG1 2.65Å; I42-I66 PolarHBondContact O-N 2.93Å; I42-V350 HydrophobicContact CG1-CG2 3.97Å; I42-V366 HydrophobicContact CG2-CG1 4.38Å; I42-M369 HydrophobicContact CD1-CB 4.39Å; I42-M369 HydrophobicContact CD1-CG 4.07Å; I42-M369 HydrophobicContact CG1-CG 4.05Å; I42-M369 HydrophobicContact CG1-SD 4.27Å; I42-M369 HydrophobicContact CG2-SD 4.1Å; I42-H370 HydrophobicContact CD1-CB 3.95Å
43	I	98.9	Very high	94.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.7	176.6	-58.8	152.7	0	0	0	108.1	I66 R68 F232 I316 C349 V350 M351 L352	I43-I66 WeakPolarHBondContact CA-O 3.48Å; I43-I66 HydrophobicContact CB-CB 4.29Å; I43-I66 HydrophobicContact CD1-CD1 4.37Å; I43-I66 HydrophobicContact CG1-CB 3.73Å; I43-I66 HydrophobicContact CG1-CD1 3.78Å; I43-I66 HydrophobicContact CG1-CG1 4.15Å; I43-I66 HydrophobicContact CG1-CG2 4.15Å; I43-I66 HydrophobicContact CG2-CB 4.3Å; I43-I66 HydrophobicContact CG2-CG2 4.23Å; I43-R68 HydrophobicContact CG2-CB 3.78Å; I43-F232 HydrophobicContact CD1-CZ 4.24Å; I43-F232 HydrophobicContact CG2-CE2 4.13Å; I43-F232 HydrophobicContact CG2-CZ 4.45Å; I43-I316 HydrophobicContact CD1-CB 4.3Å; I43-I316 HydrophobicContact CD1-CD1 3.6Å; I43-I316 HydrophobicContact CD1-CG1 3.87Å; I43-I316 HydrophobicContact CD1-CG2 3.48Å; I43-I316 VanDerWaalsContact CD1-CG2 3.48Å; I43-C349 HydrophobicContact CD1-CB 3.65Å; I43-C349 HydrophobicContact CG1-CB 4.25Å; I43-V350 PolarHBondContact N-O 3.32Å; I43-M351 HydrophobicContact CB-CB 4.02Å; I43-M351 HydrophobicContact CB-CG 3.8Å; I43-M351 HydrophobicContact CB-SD 4.44Å; I43-M351 HydrophobicContact CD1-CB 4.4Å; I43-M351 HydrophobicContact CG2-CB 4.47Å; I43-M351 HydrophobicContact CG2-CG 3.74Å; I43-M351 HydrophobicContact CG2-SD 3.91Å; I43-M351 WeakPolarHBondContact O-CA 3.33Å; I43-L352 PolarHBondContact O-N 3.19Å
44	C	98.9	Very high	95	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.8	175.8	-58	0	0	0	0	110.1	I46 M64 I66 R68 T356 V366	C44-I46 HydrophobicContact CB-CD1 4.49Å; C44-M64 HydrophobicContact CB-CG 3.88Å; C44-M64 HydrophobicContact CB-SD 3.53Å; C44-M64 VanDerWaalsContact CB-SD 3.53Å; C44-M64 VanDerWaalsContact SG-CG 3.57Å; C44-I66 PolarHBondContact N-O 3.06Å; C44-R68 PolarHBondContact O-N 3.32Å; C44-T356 HydrophobicContact CB-CG2 4.04Å; C44-V366 WeakPolarHBondContact SG-CG2 3.46Å
45	T	98.9	Very high	95.4	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.025	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	126.5	169.6	-52.6	0	0	0	0	109.3	R68 N70 L352 S353 T356 A357	T45-R68 WeakPolarHBondContact CA-O 3.36Å; T45-R68 HydrophobicContact CG2-CG 4.41Å; T45-R68 VanDerWaalsContact CG2-NH1 3.33Å; T45-R68 WeakPolarHBondContact OG1-CD 3.11Å; T45-R68 PolarHBondContact OG1-NH1 3.28Å; T45-N70 HydrophobicContact CG2-CB 4.14Å; T45-L352 WeakPolarHBondContact CB-O 3.31Å; T45-L352 PolarHBondContact N-O 3.4Å; T45-L352 PolarHBondContact OG1-O 3.28Å; T45-S353 WeakPolarHBondContact OG1-CA 3.4Å; T45-T356 PolarHBondContact N-OG1 3.02Å; T45-T356 CarbonylContact O-C 3.52Å; T45-T356 WeakPolarHBondContact O-CB 3.37Å; T45-T356 PolarHBondContact O-OG1 3.09Å; T45-A357 HydrophobicContact CG2-CB 3.9Å; T45-A357 WeakPolarHBondContact O-CA 3.47Å; T45-A357 PolarHBondContact O-N 3.17Å
46	I	98.7	Very high	96.3	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.041	18%	0.181	C	C	.	.			trans	-95.4	135.1	179.5	-56.4	-57.8	0	0	0	110	C44 S50 R51 L56 L59 M64 V67 R68 T82	C44-I46 HydrophobicContact CB-CD1 4.49Å; I46-S50 WeakPolarHBondContact CA-OG 3.48Å; I46-R51 HydrophobicContact CG2-CB 3.8Å; I46-L56 HydrophobicContact CD1-CD2 3.73Å; I46-L56 HydrophobicContact CG1-CD2 4.18Å; I46-L56 HydrophobicContact CG2-CD2 4.42Å; I46-L59 HydrophobicContact CD1-CD1 4.04Å; I46-M64 HydrophobicContact CD1-SD 4.1Å; I46-V67 HydrophobicContact CB-CG1 4.37Å; I46-V67 HydrophobicContact CD1-CG2 4.5Å; I46-V67 HydrophobicContact CG1-CB 4.3Å; I46-V67 HydrophobicContact CG1-CG1 3.57Å; I46-V67 HydrophobicContact CG1-CG2 4.08Å; I46-R68 PolarHBondContact N-O 2.81Å; I46-T82 HydrophobicContact CB-CG2 4.12Å; I46-T82 HydrophobicContact CG2-CG2 3.51Å
47	G	98	Very high	97.4	Very high	4 Å²	4	27.2 Å²	27.2	4%	0.041	16%	0.155	C	C	.	.			trans	-155	-162.5	-178	0	0	0	0	0	112	S49 S50 R51 A357	G47-S49 PolarHBondContact O-N 2.88Å; G47-S49 VanDerWaalsContact O-N 3.13Å; G47-S50 PolarHBondContact N-OG 3.36Å; G47-S50 PolarHBondContact O-N 3.43Å; G47-R51 WeakPolarHBondContact O-CB 3.31Å; G47-R51 PolarHBondContact O-N 3.13Å; G47-A357 CarbonylContact C-O 3.57Å; G47-A357 VanDerWaalsContact C-O 3.24Å; G47-A357 WeakPolarHBondContact CA-O 3.48Å
48	P	96.7	Very high	98	Very high	107 Å²	107	30.4 Å²	30.4	70%	0.695	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-37.2	-178.2	-28	35.6	0	0	0	113.9	S50 Y78 A357	P48-S50 VanDerWaalsContact C-N 3.34Å; P48-S50 PolarHBondContact O-N 3.06Å; P48-Y78 WeakPolarHBondContact CD-OH 3.11Å; P48-A357 VanDerWaalsContact CD-O 3.32Å; P48-A357 WeakPolarHBondContact CD-O 3.35Å
49	S	95.8	Very high	98.2	Very high	40 Å²	40	28.7 Å²	28.7	28%	0.28	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	4.5	-178.4	-56.5	0	0	0	0	114.3	G47 L55 A357 K358 G359	G47-S49 PolarHBondContact O-N 2.88Å; G47-S49 VanDerWaalsContact O-N 3.13Å; S49-L55 WeakPolarHBondContact O-CD2 3.29Å; S49-A357 PolarHBondContact N-O 3.05Å; S49-K358 VanDerWaalsContact OG-C 3.22Å; S49-K358 WeakPolarHBondContact OG-CA 3.22Å; S49-K358 PolarHBondContact OG-O 2.68Å; S49-G359 VanDerWaalsContact CB-O 3.3Å; S49-G359 WeakPolarHBondContact CB-O 3.34Å; S49-G359 PolarHBondContact OG-O 3.43Å
50	S	98.1	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.9	-2.6	-173.9	45.1	0	0	0	0	116	I46 G47 P48 L56 T356	I46-S50 WeakPolarHBondContact CA-OG 3.48Å; G47-S50 PolarHBondContact N-OG 3.36Å; G47-S50 PolarHBondContact O-N 3.43Å; P48-S50 VanDerWaalsContact C-N 3.34Å; P48-S50 PolarHBondContact O-N 3.06Å; S50-L56 WeakPolarHBondContact O-CD2 3.4Å; S50-L56 WeakPolarHBondContact O-CG 3.42Å; S50-T356 WeakPolarHBondContact CB-O 3.49Å; S50-T356 PolarHBondContact OG-O 2.78Å
51	R	97.6	Very high	98.2	Very high	41 Å²	41	35.4 Å²	35.4	16%	0.155	19%	0.194	C	C	.	.			trans	-83	-12.1	-171.9	73.8	-171	-56.5	-123.7	1.5	116.3	I46 G47 Y78 E81 T82 N85	I46-R51 HydrophobicContact CG2-CB 3.8Å; G47-R51 WeakPolarHBondContact O-CB 3.31Å; G47-R51 PolarHBondContact O-N 3.13Å; R51-Y78 WeakPolarHBondContact CD-OH 3.37Å; R51-Y78 PolarHBondContact NH2-O 2.8Å; R51-E81 IonicContact CZ-OE2 2.81Å; R51-E81 VanDerWaalsContact CZ-OE2 3.23Å; R51-E81 IonicContact NH1-OE1 3.6Å; R51-E81 IonicContact NH1-OE2 3.95Å; R51-E81 PolarHBondContact NH1-OE2 3.4Å; R51-E81 VanDerWaalsContact NH2-CD 3.34Å; R51-E81 IonicContact NH2-OE2 2.57Å; R51-E81 PolarHBondContact NH2-OE2 2.85Å; R51-T82 HydrophobicContact CB-CG2 4.49Å; R51-T82 PolarHBondContact NH2-OG1 3.35Å; R51-N85 WeakPolarHBondContact O-CB 3.43Å; R51-N85 PolarHBondContact O-ND2 3.44Å
52	S	98.4	Very high	98.2	Very high	59 Å²	59	35.9 Å²	35.9	41%	0.413	20%	0.197	S	C	.	.	S	Bend	trans	-69.6	146.2	178.5	61.8	0	0	0	0	111.2	D54 L55 L56	S52-D54 PolarHBondContact O-N 2.9Å; S52-L55 PolarHBondContact O-N 3.49Å; S52-L55 VanDerWaalsContact O-N 3.12Å; S52-L55 WeakPolarHBondContact OG-CB 3.45Å; S52-L56 WeakPolarHBondContact O-CG 3.14Å; S52-L56 PolarHBondContact O-N 3.14Å
53	V	98.7	Very high	98.1	Very high	39 Å²	39	36.6 Å²	36.6	24%	0.236	21%	0.205	C	C	.	.	H	α-helix	trans	-51.2	-51.2	179.2	178.3	0	0	0	0	112.2	L55 L56 V57 N85 N88 A89	V53-L55 VanDerWaalsContact C-N 3.26Å; V53-L55 PolarHBondContact O-N 3.07Å; V53-L56 PolarHBondContact O-N 2.83Å; V53-V57 WeakPolarHBondContact O-CG2 3.35Å; V53-V57 PolarHBondContact O-N 2.91Å; V53-N85 HydrophobicContact CG2-CB 4Å; V53-N88 HydrophobicContact CG1-CB 4.29Å; V53-N88 HydrophobicContact CG2-CB 3.94Å; V53-A89 HydrophobicContact CG1-CB 4.09Å
54	D	98.3	Very high	98	Very high	122 Å²	122	36.8 Å²	36.8	65%	0.652	21%	0.206	S	C	*	.	H	α-helix	trans	-58.6	-38.1	-178.3	-67.8	-13.6	0	0	0	113	S52 K58	S52-D54 PolarHBondContact O-N 2.9Å; D54-K58 WeakPolarHBondContact O-CG 3.46Å; D54-K58 PolarHBondContact O-N 3.24Å
55	L	98.2	Very high	98	Very high	35 Å²	35	37.5 Å²	37.5	18%	0.183	21%	0.21	C	C	.	.	H	α-helix	trans	-78.1	-35.8	-179.1	-162.1	54.6	0	0	0	111.8	S49 S52 V53 V57 K58 L59 P362 V363	S49-L55 WeakPolarHBondContact O-CD2 3.29Å; S52-L55 PolarHBondContact O-N 3.49Å; S52-L55 VanDerWaalsContact O-N 3.12Å; S52-L55 WeakPolarHBondContact OG-CB 3.45Å; V53-L55 VanDerWaalsContact C-N 3.26Å; V53-L55 PolarHBondContact O-N 3.07Å; L55-V57 VanDerWaalsContact C-N 3.31Å; L55-V57 PolarHBondContact O-N 3.35Å; L55-K58 HydrophobicContact CD1-CB 4.38Å; L55-K58 HydrophobicContact CD1-CD 4.15Å; L55-K58 PolarHBondContact O-N 3.03Å; L55-L59 VanDerWaalsContact O-CG 3.26Å; L55-L59 WeakPolarHBondContact O-CG 3.42Å; L55-L59 PolarHBondContact O-N 3Å; L55-P362 HydrophobicContact CD2-CG 4.13Å; L55-V363 HydrophobicContact CD1-CG2 3.5Å; L55-V363 VanDerWaalsContact CD1-CG2 3.5Å
56	L	98.7	Very high	98	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-59.4	-42.5	170.6	-71.7	168.9	0	0	0	111.3	I46 S50 S52 V53 K58 L59 I60 M64 N85 L86 A89	I46-L56 HydrophobicContact CD1-CD2 3.73Å; I46-L56 HydrophobicContact CG1-CD2 4.18Å; I46-L56 HydrophobicContact CG2-CD2 4.42Å; S50-L56 WeakPolarHBondContact O-CD2 3.4Å; S50-L56 WeakPolarHBondContact O-CG 3.42Å; S52-L56 WeakPolarHBondContact O-CG 3.14Å; S52-L56 PolarHBondContact O-N 3.14Å; V53-L56 PolarHBondContact O-N 2.83Å; L56-K58 PolarHBondContact O-N 2.9Å; L56-L59 PolarHBondContact O-N 2.85Å; L56-I60 VanDerWaalsContact O-CG1 3.22Å; L56-I60 WeakPolarHBondContact O-CG1 3.28Å; L56-I60 PolarHBondContact O-N 3.07Å; L56-M64 HydrophobicContact CD2-CE 4.36Å; L56-N85 HydrophobicContact CD1-CB 3.81Å; L56-L86 HydrophobicContact CD1-CB 4.36Å; L56-A89 HydrophobicContact CB-CB 3.78Å
57	V	98.6	Very high	98	Very high	22 Å²	22	37 Å²	37	13%	0.133	21%	0.208	C	C	.	.	H	α-helix	trans	-56.1	-50.8	173.3	173.5	0	0	0	0	110.3	V53 L55 L59 I60 E61 A89 F93	V53-V57 WeakPolarHBondContact O-CG2 3.35Å; V53-V57 PolarHBondContact O-N 2.91Å; L55-V57 VanDerWaalsContact C-N 3.31Å; L55-V57 PolarHBondContact O-N 3.35Å; V57-L59 VanDerWaalsContact C-N 3.33Å; V57-L59 PolarHBondContact O-N 3.3Å; V57-I60 PolarHBondContact O-N 2.91Å; V57-E61 HydrophobicContact CG1-CG 4.5Å; V57-E61 WeakPolarHBondContact O-CG 3.28Å; V57-E61 PolarHBondContact O-N 2.88Å; V57-A89 HydrophobicContact CG2-CB 3.78Å; V57-F93 HydrophobicContact CB-CZ 4.42Å; V57-F93 HydrophobicContact CG1-CE2 4.27Å; V57-F93 HydrophobicContact CG1-CZ 3.87Å; V57-F93 HydrophobicContact CG2-CE2 4.29Å
58	K	98.6	Very high	98	Very high	110 Å²	110	37.7 Å²	37.7	48%	0.478	21%	0.209	S	C	.	.	H	α-helix	trans	-61.7	-36.6	179	-70.2	172.5	-177.9	175.1	0	113.3	D54 L55 L56 A62 V363	D54-K58 WeakPolarHBondContact O-CG 3.46Å; D54-K58 PolarHBondContact O-N 3.24Å; L55-K58 HydrophobicContact CD1-CB 4.38Å; L55-K58 HydrophobicContact CD1-CD 4.15Å; L55-K58 PolarHBondContact O-N 3.03Å; L56-K58 PolarHBondContact O-N 2.9Å; K58-A62 VanDerWaalsContact O-CB 3.25Å; K58-A62 WeakPolarHBondContact O-CB 3.31Å; K58-A62 PolarHBondContact O-N 2.96Å; K58-V363 HydrophobicContact CB-CG1 4.5Å; K58-V363 HydrophobicContact CB-CG2 3.9Å
59	L	98.7	Very high	98.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.8	-40.7	177.4	-69.3	170.2	0	0	0	111.6	I46 L55 L56 V57 A62 G63 M64 P362 V363 V366	I46-L59 HydrophobicContact CD1-CD1 4.04Å; L55-L59 VanDerWaalsContact O-CG 3.26Å; L55-L59 WeakPolarHBondContact O-CG 3.42Å; L55-L59 PolarHBondContact O-N 3Å; L56-L59 PolarHBondContact O-N 2.85Å; V57-L59 VanDerWaalsContact C-N 3.33Å; V57-L59 PolarHBondContact O-N 3.3Å; L59-A62 PolarHBondContact O-N 3.14Å; L59-G63 PolarHBondContact O-N 3.05Å; L59-G63 VanDerWaalsContact O-N 3.15Å; L59-M64 HydrophobicContact CB-CB 4.29Å; L59-M64 HydrophobicContact CB-CE 4.05Å; L59-M64 HydrophobicContact CB-SD 4.14Å; L59-M64 VanDerWaalsContact O-CB 3.23Å; L59-M64 WeakPolarHBondContact O-CB 3.39Å; L59-M64 PolarHBondContact O-N 3.19Å; L59-P362 HydrophobicContact CD2-CB 4.31Å; L59-V363 HydrophobicContact CD2-CG2 4.24Å; L59-V366 HydrophobicContact CD2-CB 4.48Å; L59-V366 HydrophobicContact CD2-CG2 3.65Å
60	I	98.3	Very high	98.2	Very high	16 Å²	16	32.2 Å²	32.2	8%	0.082	17%	0.171	C	C	.	.	H	α-helix	trans	-63.2	-46	174.8	-66.4	166.8	0	0	0	110.1	L56 V57 A62 G63 M64 L86 L90 F93 P97 V99	L56-I60 VanDerWaalsContact O-CG1 3.22Å; L56-I60 WeakPolarHBondContact O-CG1 3.28Å; L56-I60 PolarHBondContact O-N 3.07Å; V57-I60 PolarHBondContact O-N 2.91Å; I60-A62 VanDerWaalsContact C-N 3.29Å; I60-A62 PolarHBondContact O-N 3.39Å; I60-G63 PolarHBondContact O-N 3.22Å; I60-G63 VanDerWaalsContact O-N 3.1Å; I60-M64 HydrophobicContact CD1-CE 4.41Å; I60-M64 HydrophobicContact CG1-CE 3.58Å; I60-L86 HydrophobicContact CD1-CD1 4.22Å; I60-L90 HydrophobicContact CD1-CD2 4.01Å; I60-F93 HydrophobicContact CB-CE2 4.29Å; I60-F93 HydrophobicContact CB-CZ 3.78Å; I60-F93 HydrophobicContact CD1-CE2 3.96Å; I60-F93 HydrophobicContact CD1-CZ 4.33Å; I60-F93 HydrophobicContact CG2-CE1 4.01Å; I60-F93 HydrophobicContact CG2-CE2 4.02Å; I60-F93 HydrophobicContact CG2-CZ 3.53Å; I60-P97 HydrophobicContact CG2-CB 4.11Å; I60-P97 HydrophobicContact CG2-CG 3.53Å; I60-V99 HydrophobicContact CD1-CG2 4.07Å; I60-V99 HydrophobicContact CG1-CG2 4.03Å; I60-V99 HydrophobicContact CG2-CG2 4.3Å
61	E	97.2	Very high	98.1	Very high	134 Å²	134	32.3 Å²	32.3	63%	0.626	17%	0.171	S	C	*	.	H	α-helix	trans	-62.3	-35.7	175.6	-71	178.1	153.2	0	0	112.8	V57 G63 F93	V57-E61 HydrophobicContact CG1-CG 4.5Å; V57-E61 WeakPolarHBondContact O-CG 3.28Å; V57-E61 PolarHBondContact O-N 2.88Å; E61-G63 PolarHBondContact O-N 2.98Å; E61-F93 HydrophobicContact CG-CE1 3.85Å; E61-F93 HydrophobicContact CG-CZ 4.16Å
62	A	97.6	Very high	97.7	Very high	12 Å²	12	31.5 Å²	31.5	10%	0.099	17%	0.172	C	C	.	.	H	α-helix	trans	-71.1	-16.8	175.9	0	0	0	0	0	113.5	K58 L59 I60 V363 V366 R367	K58-A62 VanDerWaalsContact O-CB 3.25Å; K58-A62 WeakPolarHBondContact O-CB 3.31Å; K58-A62 PolarHBondContact O-N 2.96Å; L59-A62 PolarHBondContact O-N 3.14Å; I60-A62 VanDerWaalsContact C-N 3.29Å; I60-A62 PolarHBondContact O-N 3.39Å; A62-V363 HydrophobicContact CB-CG1 4.17Å; A62-V366 HydrophobicContact CB-CB 3.91Å; A62-V366 HydrophobicContact CB-CG1 3.59Å; A62-R367 HydrophobicContact CB-CG 3.84Å
63	G	96.6	Very high	97.2	Very high	15 Å²	15	34.2 Å²	34.2	16%	0.155	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	121.2	12.8	173.2	0	0	0	0	0	116.2	R38 L59 I60 E61 T65	R38-G63 PolarHBondContact NH1-O 3.19Å; L59-G63 PolarHBondContact O-N 3.05Å; L59-G63 VanDerWaalsContact O-N 3.15Å; I60-G63 PolarHBondContact O-N 3.22Å; I60-G63 VanDerWaalsContact O-N 3.1Å; E61-G63 PolarHBondContact O-N 2.98Å; G63-T65 PolarHBondContact O-N 3.21Å
64	M	98.4	Very high	96.8	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.02	19%	0.19	C	C	.	.			trans	-62.7	128.1	171.9	179.7	-178.4	70.4	0	0	110.7	C44 I46 L56 L59 I60 V67	C44-M64 HydrophobicContact CB-CG 3.88Å; C44-M64 HydrophobicContact CB-SD 3.53Å; C44-M64 VanDerWaalsContact CB-SD 3.53Å; C44-M64 VanDerWaalsContact SG-CG 3.57Å; I46-M64 HydrophobicContact CD1-SD 4.1Å; L56-M64 HydrophobicContact CD2-CE 4.36Å; L59-M64 HydrophobicContact CB-CB 4.29Å; L59-M64 HydrophobicContact CB-CE 4.05Å; L59-M64 HydrophobicContact CB-SD 4.14Å; L59-M64 VanDerWaalsContact O-CB 3.23Å; L59-M64 WeakPolarHBondContact O-CB 3.39Å; L59-M64 PolarHBondContact O-N 3.19Å; I60-M64 HydrophobicContact CD1-CE 4.41Å; I60-M64 HydrophobicContact CG1-CE 3.58Å; M64-V67 HydrophobicContact CE-CG2 3.61Å; M64-V67 HydrophobicContact SD-CG2 3.78Å
65	T	98	Very high	96.7	Very high	15 Å²	15	32.6 Å²	32.6	9%	0.092	18%	0.182	C	C	.	.			trans	-112.4	-23.1	177.8	54.4	0	0	0	0	113.7	R38 I42 G63 V99 A100	R38-T65 VanDerWaalsContact NH2-CG2 3.28Å; I42-T65 PolarHBondContact N-OG1 3.15Å; I42-T65 VanDerWaalsContact N-OG1 3.08Å; I42-T65 PolarHBondContact O-N 3.22Å; I42-T65 PolarHBondContact O-OG1 2.65Å; G63-T65 PolarHBondContact O-N 3.21Å; T65-V99 WeakPolarHBondContact O-CA 3.37Å; T65-A100 PolarHBondContact O-N 3.12Å
66	I	98.8	Very high	96.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	128.7	-178.3	-52.3	177.8	0	0	0	109.3	I42 I43 C44 A100 A102 F230 Q455 L456	I42-I66 PolarHBondContact O-N 2.93Å; I43-I66 WeakPolarHBondContact CA-O 3.48Å; I43-I66 HydrophobicContact CB-CB 4.29Å; I43-I66 HydrophobicContact CD1-CD1 4.37Å; I43-I66 HydrophobicContact CG1-CB 3.73Å; I43-I66 HydrophobicContact CG1-CD1 3.78Å; I43-I66 HydrophobicContact CG1-CG1 4.15Å; I43-I66 HydrophobicContact CG1-CG2 4.15Å; I43-I66 HydrophobicContact CG2-CB 4.3Å; I43-I66 HydrophobicContact CG2-CG2 4.23Å; C44-I66 PolarHBondContact N-O 3.06Å; I66-A100 CarbonylContact C-O 3.52Å; I66-A100 WeakPolarHBondContact CA-O 3.42Å; I66-A100 HydrophobicContact CG1-CB 4.12Å; I66-A100 HydrophobicContact CG2-CB 4.31Å; I66-A102 HydrophobicContact CG2-CB 4.23Å; I66-F230 HydrophobicContact CD1-CE2 3.87Å; I66-F230 HydrophobicContact CG1-CE2 4.33Å; I66-F230 HydrophobicContact CG2-CD2 4.1Å; I66-F230 HydrophobicContact CG2-CE2 4.12Å; I66-Q455 HydrophobicContact CD1-CB 4.26Å; I66-Q455 HydrophobicContact CG1-CB 4.05Å; I66-L456 HydrophobicContact CD1-CD2 3.69Å; I66-L456 HydrophobicContact CD1-CG 4.14Å
67	V	98.8	Very high	96.6	Very high	2 Å²	2	40 Å²	40	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.1	171	162.5	0	0	0	0	109	I46 M64 L69 L86 V99 A100 V101 A102	I46-V67 HydrophobicContact CB-CG1 4.37Å; I46-V67 HydrophobicContact CD1-CG2 4.5Å; I46-V67 HydrophobicContact CG1-CB 4.3Å; I46-V67 HydrophobicContact CG1-CG1 3.57Å; I46-V67 HydrophobicContact CG1-CG2 4.08Å; M64-V67 HydrophobicContact CE-CG2 3.61Å; M64-V67 HydrophobicContact SD-CG2 3.78Å; V67-L69 HydrophobicContact CG1-CD2 3.85Å; V67-L69 HydrophobicContact CG1-CG 4.36Å; V67-L86 HydrophobicContact CB-CD2 4.28Å; V67-L86 HydrophobicContact CG2-CD1 4.14Å; V67-L86 HydrophobicContact CG2-CD2 4.01Å; V67-V99 HydrophobicContact CG2-CG1 4.07Å; V67-A100 PolarHBondContact N-O 2.99Å; V67-V101 HydrophobicContact CG1-CG1 4.32Å; V67-V101 CarbonylContact O-C 3.52Å; V67-V101 WeakPolarHBondContact O-CA 3.03Å; V67-A102 PolarHBondContact O-N 3.01Å
68	R	98.9	Very high	96.6	Very high	17 Å²	17	41.6 Å²	41.6	6%	0.064	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.8	170.9	170.4	179.1	176.1	-102.2	1.8	110.3	I43 C44 T45 I46 D104 F232 M351	I43-R68 HydrophobicContact CG2-CB 3.78Å; C44-R68 PolarHBondContact O-N 3.32Å; T45-R68 WeakPolarHBondContact CA-O 3.36Å; T45-R68 HydrophobicContact CG2-CG 4.41Å; T45-R68 VanDerWaalsContact CG2-NH1 3.33Å; T45-R68 WeakPolarHBondContact OG1-CD 3.11Å; T45-R68 PolarHBondContact OG1-NH1 3.28Å; I46-R68 PolarHBondContact N-O 2.81Å; R68-D104 HydrophobicContact CG-CB 4.16Å; R68-D104 IonicContact CZ-OD2 3.23Å; R68-D104 IonicContact NE-OD2 2.84Å; R68-D104 PolarHBondContact NE-OD2 3.39Å; R68-D104 VanDerWaalsContact NH2-CG 3.28Å; R68-D104 IonicContact NH2-OD1 2.71Å; R68-D104 IonicContact NH2-OD2 2.9Å; R68-D104 PolarHBondContact NH2-OD2 2.81Å; R68-F232 HydrophobicContact CB-CE2 4.29Å; R68-F232 HydrophobicContact CG-CD2 4.24Å; R68-F232 HydrophobicContact CG-CE2 4.25Å; R68-M351 WeakPolarHBondContact CD-SD 3.42Å
69	L	98.7	Very high	96.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	113.8	171	-54.1	-179.5	0	0	0	108.6	V67 F71 H79 T82 L83 V101 A102 D104 I228	V67-L69 HydrophobicContact CG1-CD2 3.85Å; V67-L69 HydrophobicContact CG1-CG 4.36Å; L69-F71 HydrophobicContact CB-CD2 4.13Å; L69-F71 HydrophobicContact CB-CE2 3.8Å; L69-F71 HydrophobicContact CD1-CE2 4.33Å; L69-F71 PolarHBondContact O-N 3.24Å; L69-H79 HydrophobicContact CD1-CB 4.39Å; L69-T82 HydrophobicContact CD2-CG2 3.73Å; L69-L83 HydrophobicContact CD1-CD2 3.87Å; L69-L83 HydrophobicContact CD1-CG 4.22Å; L69-V101 HydrophobicContact CD1-CG1 3.97Å; L69-V101 HydrophobicContact CG-CG1 4.13Å; L69-A102 PolarHBondContact N-O 3.47Å; L69-D104 PolarHBondContact O-N 3.4Å; L69-I228 HydrophobicContact CD1-CD1 4.5Å
70	N	97.3	Very high	96.6	Very high	33 Å²	33	40.8 Å²	40.8	18%	0.176	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	106.1	-179.4	-177.5	-3.2	0	0	0	110.9	T45 S72 H73 H79	T45-N70 HydrophobicContact CG2-CB 4.14Å; N70-S72 VanDerWaalsContact C-N 3.3Å; N70-S72 PolarHBondContact O-N 3.24Å; N70-S72 WeakPolarHBondContact OD1-CB 3.44Å; N70-S72 PolarHBondContact OD1-N 3.43Å; N70-S72 PolarHBondContact OD1-OG 2.99Å; N70-H73 PolarHBondContact O-N 3.49Å; N70-H79 PolarHBondContact O-CE1 2.68Å
71	F	96	Very high	96.6	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.009	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	2.4	-177.3	-84.7	-122.2	0	0	0	114.3	L69 H73 H76 H79 L103 D104 K215 D219 F222	L69-F71 HydrophobicContact CB-CD2 4.13Å; L69-F71 HydrophobicContact CB-CE2 3.8Å; L69-F71 HydrophobicContact CD1-CE2 4.33Å; L69-F71 PolarHBondContact O-N 3.24Å; F71-H73 PolarHBondContact O-N 3.43Å; F71-H76 AromaticContact CE1-CD2 3.75Å; F71-H76 AromaticContact CE1-NE2 3.99Å; F71-H79 AromaticContact CD2-CD2 3.67Å; F71-H79 AromaticContact CD2-NE2 3.64Å; F71-H79 AromaticContact CE1-CD2 3.82Å; F71-H79 HydrophobicContact CE2-CB 3.89Å; F71-H79 AromaticContact CE2-CD2 3.38Å; F71-H79 WeakPolarHBondContact CE2-CD2 3.39Å; F71-H79 AromaticContact CE2-CG 3.45Å; F71-H79 VanDerWaalsContact CE2-CG 3.45Å; F71-H79 AromaticContact CE2-ND1 3.93Å; F71-H79 AromaticContact CE2-NE2 3.81Å; F71-H79 AromaticContact CG-CD2 3.99Å; F71-H79 AromaticContact CG-NE2 3.96Å; F71-H79 HydrophobicContact CZ-CB 3.75Å; F71-H79 AromaticContact CZ-CD2 3.46Å; F71-H79 VanDerWaalsContact CZ-CD2 3.46Å; F71-H79 WeakPolarHBondContact CZ-CD2 3.37Å; F71-H79 AromaticContact CZ-CG 3.66Å; F71-L103 HydrophobicContact CD1-CD1 4Å; F71-L103 HydrophobicContact CD1-CG 4.38Å; F71-L103 HydrophobicContact CD2-CD1 3.84Å; F71-L103 HydrophobicContact CD2-CD2 4.32Å; F71-L103 HydrophobicContact CD2-CG 3.58Å; F71-L103 HydrophobicContact CE1-CD1 3.62Å; F71-L103 HydrophobicContact CE1-CG 4.4Å; F71-L103 HydrophobicContact CE2-CB 4.47Å; F71-L103 HydrophobicContact CE2-CD1 3.47Å; F71-L103 VanDerWaalsContact CE2-CD1 3.47Å; F71-L103 HydrophobicContact CE2-CG 3.62Å; F71-L103 HydrophobicContact CG-CD1 4.09Å; F71-L103 HydrophobicContact CG-CD2 4.3Å; F71-L103 HydrophobicContact CG-CG 3.98Å; F71-L103 HydrophobicContact CZ-CD1 3.35Å; F71-L103 HydrophobicContact CZ-CG 4.04Å; F71-D104 WeakPolarHBondContact CB-O 3.18Å; F71-D104 PolarHBondContact N-O 3.15Å; F71-K215 PolarHBondContact O-NZ 3.32Å; F71-D219 HydrophobicContact CD1-CB 3.73Å; F71-D219 WeakPolarHBondContact CD1-OD1 3.16Å; F71-D219 HydrophobicContact CE1-CB 4.16Å; F71-F222 HydrophobicContact CE1-CD1 4.01Å; F71-F222 HydrophobicContact CE1-CE1 4.47Å; F71-F222 HydrophobicContact CE1-CG 4.27Å; F71-F222 AromaticContact CZ-CD1 3.54Å; F71-F222 HydrophobicContact CZ-CD1 3.54Å; F71-F222 AromaticContact CZ-CE1 3.64Å; F71-F222 HydrophobicContact CZ-CE1 3.64Å; F71-F222 HydrophobicContact CZ-CG 4.21Å; F71-F222 HydrophobicContact CZ-CZ 4.32Å
72	S	89.6	Confident	96.7	Very high	24 Å²	24	38.1 Å²	38.1	17%	0.168	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.6	161.1	-60.3	0	0	0	0	111.7	N70 E109	N70-S72 VanDerWaalsContact C-N 3.3Å; N70-S72 PolarHBondContact O-N 3.24Å; N70-S72 WeakPolarHBondContact OD1-CB 3.44Å; N70-S72 PolarHBondContact OD1-N 3.43Å; N70-S72 PolarHBondContact OD1-OG 2.99Å; S72-E109 PolarHBondContact OG-OE1 3.12Å
73	H	88.3	Confident	96.7	Very high	116 Å²	116	38.9 Å²	38.9	54%	0.537	21%	0.207	S	C	.	.	S	Bend	trans	-132.5	164.3	176.5	-54.1	-66.2	0	0	0	111.9	N70 F71 H79	N70-H73 PolarHBondContact O-N 3.49Å; F71-H73 PolarHBondContact O-N 3.43Å; H73-H79 PolarHBondContact O-NE2 3.34Å
74	G	89.8	Confident	96.8	Very high	48 Å²	48	40.9 Å²	40.9	50%	0.495	22%	0.216	S	C	.	.	S	Bend	trans	74.6	164.9	177.7	0	0	0	0	0	113.9
75	T	95.4	Very high	96.8	Very high	79 Å²	79	41.9 Å²	41.9	49%	0.485	22%	0.221	S	C	.	.			trans	-100	171.4	173.9	70.6	0	0	0	0	110.5	E77 Y78 H79	T75-E77 WeakPolarHBondContact CB-OE2 3.4Å; T75-E77 PolarHBondContact O-N 2.95Å; T75-E77 PolarHBondContact OG1-N 3.3Å; T75-E77 PolarHBondContact OG1-OE2 3.35Å; T75-Y78 WeakPolarHBondContact O-CB 3.46Å; T75-Y78 PolarHBondContact O-N 3.15Å; T75-Y78 PolarHBondContact OG1-N 3.23Å; T75-H79 PolarHBondContact O-CD2 3.25Å; T75-H79 PolarHBondContact O-N 3.07Å; T75-H79 VanDerWaalsContact O-N 3.1Å
76	H	97.8	Very high	96.8	Very high	56 Å²	56	41.6 Å²	41.6	26%	0.259	22%	0.219	S	C	.	.	H	α-helix	trans	-59.5	-36	174.1	-72.2	-174	0	0	0	111.6	F71 H79 H80 D219 F222	F71-H76 AromaticContact CE1-CD2 3.75Å; F71-H76 AromaticContact CE1-NE2 3.99Å; H76-H79 PolarHBondContact O-N 3.24Å; H76-H80 VanDerWaalsContact O-CB 3.3Å; H76-H80 WeakPolarHBondContact O-CB 3.48Å; H76-H80 PolarHBondContact O-N 3.42Å; H76-D219 IonicContact CD2-OD1 2.82Å; H76-D219 IonicContact CE1-OD1 3.21Å; H76-D219 IonicContact NE2-OD1 3.92Å; H76-D219 PolarHBondContact NE2-OD1 3.35Å; H76-F222 HydrophobicContact CB-CD2 3.79Å; H76-F222 HydrophobicContact CB-CE2 4Å; H76-F222 AromaticContact CG-CD2 3.76Å; H76-F222 AromaticContact ND1-CD2 3.98Å; H76-F222 WeakPolarHBondContact O-CE2 3.36Å
77	E	98	Very high	96.8	Very high	135 Å²	135	49 Å²	49	63%	0.631	25%	0.251	S	S	*	.	H	α-helix	trans	-64.2	-43.8	176.2	-58.2	74	-159.6	0	0	111.5	T75 H79 H80 E81	T75-E77 WeakPolarHBondContact CB-OE2 3.4Å; T75-E77 PolarHBondContact O-N 2.95Å; T75-E77 PolarHBondContact OG1-N 3.3Å; T75-E77 PolarHBondContact OG1-OE2 3.35Å; E77-H79 VanDerWaalsContact C-N 3.33Å; E77-H79 PolarHBondContact O-N 2.76Å; E77-H80 PolarHBondContact O-N 3.44Å; E77-E81 PolarHBondContact O-N 2.79Å
78	Y	98	Very high	96.7	Very high	55 Å²	55	52.3 Å²	52.3	22%	0.216	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-43.2	176.7	177.8	-87.9	0	0	0	112	P48 R51 T75 T82	P48-Y78 WeakPolarHBondContact CD-OH 3.11Å; R51-Y78 WeakPolarHBondContact CD-OH 3.37Å; R51-Y78 PolarHBondContact NH2-O 2.8Å; T75-Y78 WeakPolarHBondContact O-CB 3.46Å; T75-Y78 PolarHBondContact O-N 3.15Å; T75-Y78 PolarHBondContact OG1-N 3.23Å; Y78-T82 PolarHBondContact O-N 2.85Å; Y78-T82 PolarHBondContact O-OG1 2.95Å
79	H	98.4	Very high	96.7	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.019	27%	0.266	C	S	.	.	H	α-helix	trans	-71.6	-38.8	178.3	-69.9	-52.7	0	0	0	111.6	L69 N70 F71 H73 T75 H76 E77 T82 L83 F222	L69-H79 HydrophobicContact CD1-CB 4.39Å; N70-H79 PolarHBondContact O-CE1 2.68Å; F71-H79 AromaticContact CD2-CD2 3.67Å; F71-H79 AromaticContact CD2-NE2 3.64Å; F71-H79 AromaticContact CE1-CD2 3.82Å; F71-H79 HydrophobicContact CE2-CB 3.89Å; F71-H79 AromaticContact CE2-CD2 3.38Å; F71-H79 WeakPolarHBondContact CE2-CD2 3.39Å; F71-H79 AromaticContact CE2-CG 3.45Å; F71-H79 VanDerWaalsContact CE2-CG 3.45Å; F71-H79 AromaticContact CE2-ND1 3.93Å; F71-H79 AromaticContact CE2-NE2 3.81Å; F71-H79 AromaticContact CG-CD2 3.99Å; F71-H79 AromaticContact CG-NE2 3.96Å; F71-H79 HydrophobicContact CZ-CB 3.75Å; F71-H79 AromaticContact CZ-CD2 3.46Å; F71-H79 VanDerWaalsContact CZ-CD2 3.46Å; F71-H79 WeakPolarHBondContact CZ-CD2 3.37Å; F71-H79 AromaticContact CZ-CG 3.66Å; H73-H79 PolarHBondContact O-NE2 3.34Å; T75-H79 PolarHBondContact O-CD2 3.25Å; T75-H79 PolarHBondContact O-N 3.07Å; T75-H79 VanDerWaalsContact O-N 3.1Å; H76-H79 PolarHBondContact O-N 3.24Å; E77-H79 VanDerWaalsContact C-N 3.33Å; E77-H79 PolarHBondContact O-N 2.76Å; H79-T82 WeakPolarHBondContact O-CB 3.09Å; H79-T82 PolarHBondContact O-N 2.71Å; H79-T82 VanDerWaalsContact O-N 3.16Å; H79-L83 WeakPolarHBondContact O-CG 3.47Å; H79-L83 PolarHBondContact O-N 3.02Å; H79-F222 HydrophobicContact CB-CE1 4.37Å; H79-F222 HydrophobicContact CB-CZ 4Å
80	H	98.5	Very high	96.6	Very high	89 Å²	89	53.2 Å²	53.2	41%	0.412	28%	0.275	S	S	.	.	H	α-helix	trans	-58.7	-48.2	173.7	179.3	76.3	0	0	0	112	H76 E77 T82 L83 V84 F222 H226	H76-H80 VanDerWaalsContact O-CB 3.3Å; H76-H80 WeakPolarHBondContact O-CB 3.48Å; H76-H80 PolarHBondContact O-N 3.42Å; E77-H80 PolarHBondContact O-N 3.44Å; H80-T82 PolarHBondContact O-N 2.86Å; H80-L83 WeakPolarHBondContact O-CB 3.3Å; H80-L83 PolarHBondContact O-N 2.83Å; H80-V84 WeakPolarHBondContact O-CG2 3.36Å; H80-V84 PolarHBondContact O-N 3.01Å; H80-F222 HydrophobicContact CB-CE2 4.23Å; H80-F222 HydrophobicContact CB-CZ 4.36Å; H80-H226 AromaticContact CE1-NE2 3.68Å; H80-H226 AromaticContact CG-NE2 3.85Å; H80-H226 AromaticContact ND1-CD2 3.42Å; H80-H226 PolarHBondContact ND1-CD2 3.29Å; H80-H226 AromaticContact ND1-NE2 2.85Å; H80-H226 PolarHBondContact ND1-NE2 3.01Å
81	E	98.4	Very high	96.6	Very high	92 Å²	92	56.1 Å²	56.1	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-59.7	-36.6	176.5	-175.5	-167.7	-179.9	0	0	111.4	R51 E77 L83 V84 N85	R51-E81 IonicContact CZ-OE2 2.81Å; R51-E81 VanDerWaalsContact CZ-OE2 3.23Å; R51-E81 IonicContact NH1-OE1 3.6Å; R51-E81 IonicContact NH1-OE2 3.95Å; R51-E81 PolarHBondContact NH1-OE2 3.4Å; R51-E81 VanDerWaalsContact NH2-CD 3.34Å; R51-E81 IonicContact NH2-OE2 2.57Å; R51-E81 PolarHBondContact NH2-OE2 2.85Å; E77-E81 PolarHBondContact O-N 2.79Å; E81-L83 VanDerWaalsContact C-N 3.34Å; E81-L83 PolarHBondContact O-N 3.1Å; E81-V84 PolarHBondContact O-N 3.37Å; E81-N85 PolarHBondContact O-N 3.35Å
82	T	98.6	Very high	96.6	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.012	32%	0.32	C	S	.	.	H	α-helix	trans	-63.7	-38.9	175.4	-55.7	0	0	0	0	111.8	I46 R51 L69 Y78 H79 H80 N85 L86	I46-T82 HydrophobicContact CB-CG2 4.12Å; I46-T82 HydrophobicContact CG2-CG2 3.51Å; R51-T82 HydrophobicContact CB-CG2 4.49Å; R51-T82 PolarHBondContact NH2-OG1 3.35Å; L69-T82 HydrophobicContact CD2-CG2 3.73Å; Y78-T82 PolarHBondContact O-N 2.85Å; Y78-T82 PolarHBondContact O-OG1 2.95Å; H79-T82 WeakPolarHBondContact O-CB 3.09Å; H79-T82 PolarHBondContact O-N 2.71Å; H79-T82 VanDerWaalsContact O-N 3.16Å; H80-T82 PolarHBondContact O-N 2.86Å; T82-N85 PolarHBondContact O-N 2.6Å; T82-L86 PolarHBondContact O-N 3.18Å
83	L	98.6	Very high	96.8	Very high	28 Å²	28	60.5 Å²	60.5	15%	0.147	32%	0.32	C	S	.	.	H	α-helix	trans	-65.4	-40.6	173.5	-63.3	173.3	0	0	0	112.2	L69 H79 H80 E81 L86 K87 V101 F222 H226 I228	L69-L83 HydrophobicContact CD1-CD2 3.87Å; L69-L83 HydrophobicContact CD1-CG 4.22Å; H79-L83 WeakPolarHBondContact O-CG 3.47Å; H79-L83 PolarHBondContact O-N 3.02Å; H80-L83 WeakPolarHBondContact O-CB 3.3Å; H80-L83 PolarHBondContact O-N 2.83Å; E81-L83 VanDerWaalsContact C-N 3.34Å; E81-L83 PolarHBondContact O-N 3.1Å; L83-L86 PolarHBondContact O-N 3.04Å; L83-K87 PolarHBondContact O-N 2.84Å; L83-V101 HydrophobicContact CD2-CG1 3.79Å; L83-V101 HydrophobicContact CD2-CG2 4.24Å; L83-F222 HydrophobicContact CD1-CE1 4.09Å; L83-F222 HydrophobicContact CD1-CZ 3.97Å; L83-H226 HydrophobicContact CD1-CB 3.72Å; L83-I228 HydrophobicContact CD1-CD1 4.11Å; L83-I228 HydrophobicContact CD2-CD1 3.92Å
84	V	98.5	Very high	96.8	Very high	57 Å²	57	65.1 Å²	65.1	35%	0.345	34%	0.339	S	S	.	.	H	α-helix	trans	-61.5	-45.5	175.2	172.8	0	0	0	0	110.4	H80 E81 L86 K87 N88	H80-V84 WeakPolarHBondContact O-CG2 3.36Å; H80-V84 PolarHBondContact O-N 3.01Å; E81-V84 PolarHBondContact O-N 3.37Å; V84-L86 VanDerWaalsContact C-N 3.34Å; V84-L86 PolarHBondContact O-N 3.45Å; V84-K87 WeakPolarHBondContact O-CB 3.28Å; V84-K87 PolarHBondContact O-N 2.87Å; V84-N88 VanDerWaalsContact O-CG 3.3Å; V84-N88 PolarHBondContact O-N 3.41Å; V84-N88 PolarHBondContact O-ND2 3.21Å
85	N	98.6	Very high	96.6	Very high	25 Å²	25	67.5 Å²	67.5	13%	0.134	34%	0.343	C	S	.	.	H	α-helix	trans	-62.6	-40	177.1	-70.7	-12.7	0	0	0	112.2	R51 V53 L56 E81 T82 N88 A89	R51-N85 WeakPolarHBondContact O-CB 3.43Å; R51-N85 PolarHBondContact O-ND2 3.44Å; V53-N85 HydrophobicContact CG2-CB 4Å; L56-N85 HydrophobicContact CD1-CB 3.81Å; E81-N85 PolarHBondContact O-N 3.35Å; T82-N85 PolarHBondContact O-N 2.6Å; N85-N88 PolarHBondContact O-N 3.09Å; N85-A89 WeakPolarHBondContact O-CB 3.27Å; N85-A89 PolarHBondContact O-N 3.3Å
86	L	98.4	Very high	96.2	Very high	9 Å²	9	70.5 Å²	70.5	5%	0.047	35%	0.349	C	S	.	.	H	α-helix	trans	-61.5	-46	173.7	177.7	61.8	0	0	0	111.5	L56 I60 V67 T82 L83 V84 N88 A89 L90 V99 V101	L56-L86 HydrophobicContact CD1-CB 4.36Å; I60-L86 HydrophobicContact CD1-CD1 4.22Å; V67-L86 HydrophobicContact CB-CD2 4.28Å; V67-L86 HydrophobicContact CG2-CD1 4.14Å; V67-L86 HydrophobicContact CG2-CD2 4.01Å; T82-L86 PolarHBondContact O-N 3.18Å; L83-L86 PolarHBondContact O-N 3.04Å; V84-L86 VanDerWaalsContact C-N 3.34Å; V84-L86 PolarHBondContact O-N 3.45Å; L86-N88 VanDerWaalsContact C-N 3.28Å; L86-N88 PolarHBondContact O-N 3.06Å; L86-A89 PolarHBondContact O-N 3.21Å; L86-L90 HydrophobicContact CD1-CD1 4.46Å; L86-L90 HydrophobicContact CD1-CG 4.37Å; L86-L90 HydrophobicContact CG-CD1 4.31Å; L86-L90 WeakPolarHBondContact O-CG 3.44Å; L86-L90 PolarHBondContact O-N 3.39Å; L86-V99 HydrophobicContact CD1-CG1 4.18Å; L86-V101 HydrophobicContact CD2-CG2 3.56Å
87	K	97.5	Very high	96	Very high	157 Å²	157	69.8 Å²	69.8	68%	0.683	35%	0.35	S	S	*	.	H	α-helix	trans	-59.2	-41.8	176.6	-173.1	178	-179.4	179.8	0	111.4	L83 V84 L90 T91	L83-K87 PolarHBondContact O-N 2.84Å; V84-K87 WeakPolarHBondContact O-CB 3.28Å; V84-K87 PolarHBondContact O-N 2.87Å; K87-L90 PolarHBondContact O-N 3.18Å; K87-T91 WeakPolarHBondContact O-CG2 3.49Å; K87-T91 PolarHBondContact O-N 2.84Å
88	N	98.2	Very high	95.7	Very high	71 Å²	71	64.1 Å²	64.1	38%	0.38	33%	0.325	S	S	.	.	H	α-helix	trans	-65.2	-46.1	176.8	-70.2	-19.9	0	0	0	111.4	V53 V84 N85 L86 L90 T91	V53-N88 HydrophobicContact CG1-CB 4.29Å; V53-N88 HydrophobicContact CG2-CB 3.94Å; V84-N88 VanDerWaalsContact O-CG 3.3Å; V84-N88 PolarHBondContact O-N 3.41Å; V84-N88 PolarHBondContact O-ND2 3.21Å; N85-N88 PolarHBondContact O-N 3.09Å; L86-N88 VanDerWaalsContact C-N 3.28Å; L86-N88 PolarHBondContact O-N 3.06Å; N88-L90 VanDerWaalsContact C-N 3.27Å; N88-L90 PolarHBondContact O-N 3.42Å; N88-T91 WeakPolarHBondContact O-CB 3.24Å; N88-T91 PolarHBondContact O-N 2.91Å; N88-T91 PolarHBondContact O-OG1 2.91Å
89	A	98.2	Very high	95.7	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-57.7	-39.9	176.6	0	0	0	0	0	112.2	V53 L56 V57 N85 L86 T91 S92 F93	V53-A89 HydrophobicContact CG1-CB 4.09Å; L56-A89 HydrophobicContact CB-CB 3.78Å; V57-A89 HydrophobicContact CG2-CB 3.78Å; N85-A89 WeakPolarHBondContact O-CB 3.27Å; N85-A89 PolarHBondContact O-N 3.3Å; L86-A89 PolarHBondContact O-N 3.21Å; A89-T91 PolarHBondContact O-N 2.95Å; A89-S92 WeakPolarHBondContact O-CB 3.4Å; A89-S92 PolarHBondContact O-N 3.39Å; A89-S92 VanDerWaalsContact O-N 3.13Å; A89-S92 PolarHBondContact O-OG 3.2Å; A89-F93 VanDerWaalsContact O-CD2 3.3Å; A89-F93 WeakPolarHBondContact O-CD2 3.32Å; A89-F93 WeakPolarHBondContact O-CE2 3.49Å
90	L	96.9	Very high	95.7	Very high	35 Å²	35	61.6 Å²	61.6	18%	0.183	32%	0.315	C	S	.	.	H	α-helix	trans	-64.9	-20.6	177.2	-69.4	172.2	0	0	0	113.5	I60 L86 K87 N88 S92 P97 V99	I60-L90 HydrophobicContact CD1-CD2 4.01Å; L86-L90 HydrophobicContact CD1-CD1 4.46Å; L86-L90 HydrophobicContact CD1-CG 4.37Å; L86-L90 HydrophobicContact CG-CD1 4.31Å; L86-L90 WeakPolarHBondContact O-CG 3.44Å; L86-L90 PolarHBondContact O-N 3.39Å; K87-L90 PolarHBondContact O-N 3.18Å; N88-L90 VanDerWaalsContact C-N 3.27Å; N88-L90 PolarHBondContact O-N 3.42Å; L90-S92 VanDerWaalsContact C-N 3.29Å; L90-P97 HydrophobicContact CD2-CG 3.8Å; L90-V99 HydrophobicContact CD2-CB 4.32Å; L90-V99 HydrophobicContact CD2-CG2 3.9Å
91	T	96.7	Very high	95.7	Very high	95 Å²	95	58 Å²	58	58%	0.583	30%	0.3	S	S	*	.	H	α-helix	trans	-74.9	-20.2	175.6	70.2	0	0	0	0	113.1	K87 N88 A89 F93	K87-T91 WeakPolarHBondContact O-CG2 3.49Å; K87-T91 PolarHBondContact O-N 2.84Å; N88-T91 WeakPolarHBondContact O-CB 3.24Å; N88-T91 PolarHBondContact O-N 2.91Å; N88-T91 PolarHBondContact O-OG1 2.91Å; A89-T91 PolarHBondContact O-N 2.95Å; T91-F93 PolarHBondContact O-N 3.07Å
92	S	95.5	Very high	95.8	Very high	79 Å²	79	53.6 Å²	53.6	55%	0.552	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-12.9	177.4	-52.1	0	0	0	0	113.5	A89 L90	A89-S92 WeakPolarHBondContact O-CB 3.4Å; A89-S92 PolarHBondContact O-N 3.39Å; A89-S92 VanDerWaalsContact O-N 3.13Å; A89-S92 PolarHBondContact O-OG 3.2Å; L90-S92 VanDerWaalsContact C-N 3.29Å
93	F	94.1	Very high	95.8	Very high	38 Å²	38	53.5 Å²	53.5	17%	0.167	28%	0.279	C	S	.	.			trans	-96.7	125.3	-178.7	-63	-89.4	0	0	0	111.9	V57 I60 E61 A89 T91 V95 P97	V57-F93 HydrophobicContact CB-CZ 4.42Å; V57-F93 HydrophobicContact CG1-CE2 4.27Å; V57-F93 HydrophobicContact CG1-CZ 3.87Å; V57-F93 HydrophobicContact CG2-CE2 4.29Å; I60-F93 HydrophobicContact CB-CE2 4.29Å; I60-F93 HydrophobicContact CB-CZ 3.78Å; I60-F93 HydrophobicContact CD1-CE2 3.96Å; I60-F93 HydrophobicContact CD1-CZ 4.33Å; I60-F93 HydrophobicContact CG2-CE1 4.01Å; I60-F93 HydrophobicContact CG2-CE2 4.02Å; I60-F93 HydrophobicContact CG2-CZ 3.53Å; E61-F93 HydrophobicContact CG-CE1 3.85Å; E61-F93 HydrophobicContact CG-CZ 4.16Å; A89-F93 VanDerWaalsContact O-CD2 3.3Å; A89-F93 WeakPolarHBondContact O-CD2 3.32Å; A89-F93 WeakPolarHBondContact O-CE2 3.49Å; T91-F93 PolarHBondContact O-N 3.07Å; F93-V95 VanDerWaalsContact C-N 3.31Å; F93-V95 PolarHBondContact O-N 3.09Å; F93-P97 HydrophobicContact CD1-CG 4.29Å; F93-P97 HydrophobicContact CD2-CG 4.09Å; F93-P97 HydrophobicContact CE2-CG 4.36Å; F93-P97 HydrophobicContact CG-CG 4.05Å
94	K	88.1	Confident	95.8	Very high	214 Å²	214	52.2 Å²	52.2	93%	0.93	27%	0.272	S	S	*	.	S	Bend	trans	-57.7	-44.1	174.3	-174.9	179.7	-178.8	-178.9	0	112.2
95	V	85.4	Confident	95.6	Very high	97 Å²	97	49.8 Å²	49.8	59%	0.588	26%	0.257	S	S	*	.	S	Bend	trans	-109.8	107.6	170	-179.7	0	0	0	0	106.7	F93 P97	F93-V95 VanDerWaalsContact C-N 3.31Å; F93-V95 PolarHBondContact O-N 3.09Å; V95-P97 WeakPolarHBondContact O-CD 3.34Å
96	K	89	Confident	95.3	Very high	143 Å²	143	50.6 Å²	50.6	62%	0.622	26%	0.259	S	S	*	.			trans	-61.6	120.1	-174.9	-66.3	-177.6	-179.3	175.5	0	110.4
97	P	92	Very high	94.8	Very high	41 Å²	41	50.4 Å²	50.4	27%	0.266	26%	0.26	S	S	.	.			trans	-69.1	146.6	173.3	25.8	-27.9	0	0	0	109.8	I60 L90 F93 V95 V99	I60-P97 HydrophobicContact CG2-CB 4.11Å; I60-P97 HydrophobicContact CG2-CG 3.53Å; L90-P97 HydrophobicContact CD2-CG 3.8Å; F93-P97 HydrophobicContact CD1-CG 4.29Å; F93-P97 HydrophobicContact CD2-CG 4.09Å; F93-P97 HydrophobicContact CE2-CG 4.36Å; F93-P97 HydrophobicContact CG-CG 4.05Å; V95-P97 WeakPolarHBondContact O-CD 3.34Å; P97-V99 HydrophobicContact CB-CG2 4.3Å; P97-V99 HydrophobicContact CG-CG2 4.29Å; P97-V99 PolarHBondContact O-N 2.79Å
98	S	93.1	Very high	94.4	Very high	15 Å²	15	43.9 Å²	43.9	11%	0.105	23%	0.233	C	C	.	.			trans	-81.6	96.2	172.4	-67.1	0	0	0	0	108.9	Q455	S98-Q455 WeakPolarHBondContact O-CG 3.29Å; S98-Q455 PolarHBondContact O-NE2 2.75Å
99	V	97.5	Very high	93.8	Very high	6 Å²	6	42.3 Å²	42.3	4%	0.036	22%	0.224	C	C	.	.			trans	-103.7	123	175.1	-178	0	0	0	0	108.8	I60 T65 V67 L86 L90 P97 R452	I60-V99 HydrophobicContact CD1-CG2 4.07Å; I60-V99 HydrophobicContact CG1-CG2 4.03Å; I60-V99 HydrophobicContact CG2-CG2 4.3Å; T65-V99 WeakPolarHBondContact O-CA 3.37Å; V67-V99 HydrophobicContact CG2-CG1 4.07Å; L86-V99 HydrophobicContact CD1-CG1 4.18Å; L90-V99 HydrophobicContact CD2-CB 4.32Å; L90-V99 HydrophobicContact CD2-CG2 3.9Å; P97-V99 HydrophobicContact CB-CG2 4.3Å; P97-V99 HydrophobicContact CG-CG2 4.29Å; P97-V99 PolarHBondContact O-N 2.79Å; V99-R452 WeakPolarHBondContact O-CD 3.4Å
100	A	98.4	Very high	93.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	161.1	177.8	0	0	0	0	0	111.8	T65 I66 V67 D229 F230 R452	T65-A100 PolarHBondContact O-N 3.12Å; I66-A100 CarbonylContact C-O 3.52Å; I66-A100 WeakPolarHBondContact CA-O 3.42Å; I66-A100 HydrophobicContact CG1-CB 4.12Å; I66-A100 HydrophobicContact CG2-CB 4.31Å; V67-A100 PolarHBondContact N-O 2.99Å; A100-D229 VanDerWaalsContact CA-OD2 3.29Å; A100-D229 WeakPolarHBondContact CA-OD2 3.46Å; A100-D229 HydrophobicContact CB-CB 4.39Å; A100-F230 HydrophobicContact CB-CD2 4.34Å; A100-F230 HydrophobicContact CB-CE2 3.44Å; A100-F230 VanDerWaalsContact CB-CE2 3.44Å; A100-F230 HydrophobicContact CB-CZ 3.83Å; A100-R452 HydrophobicContact CB-CB 3.76Å; A100-R452 HydrophobicContact CB-CG 4.36Å
101	V	98.8	Very high	93.3	Very high	14 Å²	14	43.1 Å²	43.1	9%	0.085	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132	175.1	-169.3	0	0	0	0	111.2	V67 L69 L83 L86 I228 D229 F230	V67-V101 HydrophobicContact CG1-CG1 4.32Å; V67-V101 CarbonylContact O-C 3.52Å; V67-V101 WeakPolarHBondContact O-CA 3.03Å; L69-V101 HydrophobicContact CD1-CG1 3.97Å; L69-V101 HydrophobicContact CG-CG1 4.13Å; L83-V101 HydrophobicContact CD2-CG1 3.79Å; L83-V101 HydrophobicContact CD2-CG2 4.24Å; L86-V101 HydrophobicContact CD2-CG2 3.56Å; V101-I228 HydrophobicContact CB-CD1 4.17Å; V101-I228 HydrophobicContact CG1-CD1 3.68Å; V101-I228 WeakPolarHBondContact O-CG2 3.34Å; V101-D229 PolarHBondContact N-OD2 3.15Å; V101-D229 WeakPolarHBondContact O-CB 3.33Å; V101-D229 PolarHBondContact O-N 3.01Å; V101-F230 PolarHBondContact O-N 3.37Å; V101-F230 VanDerWaalsContact O-N 3.09Å
102	A	98.9	Very high	93.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.1	173.8	0	0	0	0	0	111	I66 V67 L69 F230 F232	I66-A102 HydrophobicContact CG2-CB 4.23Å; V67-A102 PolarHBondContact O-N 3.01Å; L69-A102 PolarHBondContact N-O 3.47Å; A102-F230 CarbonylContact C-O 3.57Å; A102-F230 VanDerWaalsContact CA-O 3.3Å; A102-F230 WeakPolarHBondContact CA-O 3.39Å; A102-F230 HydrophobicContact CB-CB 3.96Å; A102-F230 HydrophobicContact CB-CD2 4.2Å; A102-F232 HydrophobicContact CB-CD1 3.95Å; A102-F232 HydrophobicContact CB-CD2 3.86Å; A102-F232 HydrophobicContact CB-CE1 3.54Å; A102-F232 HydrophobicContact CB-CE2 3.43Å; A102-F232 VanDerWaalsContact CB-CE2 3.43Å; A102-F232 HydrophobicContact CB-CG 4.13Å; A102-F232 HydrophobicContact CB-CZ 3.28Å
103	L	98.7	Very high	93.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.9	164.7	-178.4	152.1	0	0	0	108.4	F71 T105 D219 F222 A223 I228 F230 I231 F232	F71-L103 HydrophobicContact CD1-CD1 4Å; F71-L103 HydrophobicContact CD1-CG 4.38Å; F71-L103 HydrophobicContact CD2-CD1 3.84Å; F71-L103 HydrophobicContact CD2-CD2 4.32Å; F71-L103 HydrophobicContact CD2-CG 3.58Å; F71-L103 HydrophobicContact CE1-CD1 3.62Å; F71-L103 HydrophobicContact CE1-CG 4.4Å; F71-L103 HydrophobicContact CE2-CB 4.47Å; F71-L103 HydrophobicContact CE2-CD1 3.47Å; F71-L103 VanDerWaalsContact CE2-CD1 3.47Å; F71-L103 HydrophobicContact CE2-CG 3.62Å; F71-L103 HydrophobicContact CG-CD1 4.09Å; F71-L103 HydrophobicContact CG-CD2 4.3Å; F71-L103 HydrophobicContact CG-CG 3.98Å; F71-L103 HydrophobicContact CZ-CD1 3.35Å; F71-L103 HydrophobicContact CZ-CG 4.04Å; L103-T105 HydrophobicContact CD2-CG2 3.86Å; L103-D219 WeakPolarHBondContact CD1-O 3.34Å; L103-F222 HydrophobicContact CD1-CD1 4.12Å; L103-A223 HydrophobicContact CD1-CB 4.01Å; L103-I228 HydrophobicContact CB-CG2 4.01Å; L103-F230 PolarHBondContact N-O 3.45Å; L103-I231 HydrophobicContact CB-CD1 4.14Å; L103-I231 HydrophobicContact CD2-CD1 4.38Å; L103-I231 CarbonylContact O-C 3.48Å; L103-I231 WeakPolarHBondContact O-CA 3.48Å; L103-F232 PolarHBondContact O-N 3.23Å
104	D	98.3	Very high	93.5	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	113.2	173.1	-166.7	-41.8	0	0	0	109.7	R68 L69 F71 F232 S234 K261	R68-D104 HydrophobicContact CG-CB 4.16Å; R68-D104 IonicContact CZ-OD2 3.23Å; R68-D104 IonicContact NE-OD2 2.84Å; R68-D104 PolarHBondContact NE-OD2 3.39Å; R68-D104 VanDerWaalsContact NH2-CG 3.28Å; R68-D104 IonicContact NH2-OD1 2.71Å; R68-D104 IonicContact NH2-OD2 2.9Å; R68-D104 PolarHBondContact NH2-OD2 2.81Å; L69-D104 PolarHBondContact O-N 3.4Å; F71-D104 WeakPolarHBondContact CB-O 3.18Å; F71-D104 PolarHBondContact N-O 3.15Å; D104-F232 WeakPolarHBondContact CA-O 3.29Å; D104-F232 HydrophobicContact CB-CB 4Å; D104-F232 HydrophobicContact CB-CD2 4.29Å; D104-S234 PolarHBondContact OD1-OG 3.18Å; D104-K261 IonicContact OD1-NZ 3.32Å; D104-K261 PolarHBondContact OD1-NZ 3.45Å; D104-K261 IonicContact OD2-NZ 3.81Å
105	T	95.9	Very high	93.9	Very high	6 Å²	6	25.6 Å²	25.6	4%	0.037	13%	0.133	C	C	.	.			trans	-65.9	150.2	-174.4	55.6	0	0	0	0	111.6	L103 L220 I231 F232 S234	L103-T105 HydrophobicContact CD2-CG2 3.86Å; T105-L220 HydrophobicContact CG2-CD2 4.45Å; T105-I231 HydrophobicContact CG2-CG2 3.74Å; T105-F232 PolarHBondContact N-O 2.72Å; T105-F232 PolarHBondContact OG1-O 3.06Å; T105-S234 PolarHBondContact O-OG 3.29Å; T105-S234 PolarHBondContact OG1-N 3.4Å; T105-S234 PolarHBondContact OG1-OG 3.32Å
106	K	90.9	Very high	94.3	Very high	41 Å²	41	25.3 Å²	25.3	18%	0.178	13%	0.132	C	C	.	.			trans	-63.8	-47.8	167.8	-178.1	-168.6	167.7	79.6	0	110.1	E109 R111 K215	K106-E109 HydrophobicContact CG-CG 4.43Å; K106-E109 WeakPolarHBondContact CG-OE2 3.31Å; K106-E109 IonicContact NZ-OE2 2.77Å; K106-E109 PolarHBondContact NZ-OE2 3.06Å; K106-E109 WeakPolarHBondContact O-CG 3.04Å; K106-R111 VanDerWaalsContact NZ-NE 3.2Å; K106-K215 HydrophobicContact CD-CD 4.08Å
107	G	88.7	Confident	94.2	Very high	5 Å²	5	21.1 Å²	21.1	5%	0.052	13%	0.129	C	C	.	.			trans	67.7	-168.7	-178.4	0	0	0	0	0	113.4	E109 D216	G107-E109 PolarHBondContact O-N 3.44Å; G107-D216 PolarHBondContact N-OD1 3.48Å
108	P	88.7	Confident	94.1	Very high	20 Å²	20	20.1 Å²	20.1	13%	0.13	13%	0.127	C	C	.	.	S	Bend	trans	-78.6	51.8	-174.5	34.2	-38.1	0	0	0	113.1	L209 F235	P108-L209 HydrophobicContact CB-CB 3.56Å; P108-L209 HydrophobicContact CB-CD1 3.89Å; P108-L209 HydrophobicContact CB-CG 4.37Å; P108-L209 VanDerWaalsContact O-CD1 3.29Å; P108-L209 WeakPolarHBondContact O-CD1 3.49Å; P108-F235 HydrophobicContact CG-CB 3.68Å; P108-F235 HydrophobicContact CG-CD2 4.33Å; P108-F235 HydrophobicContact CG-CG 4.25Å
109	E	85.1	Confident	93.9	Very high	38 Å²	38	23.8 Å²	23.8	18%	0.178	15%	0.15	C	C	.	.			trans	-66.7	140.7	172.2	-70.8	173.5	173.5	0	0	111.1	S72 K106 G107 R111 F235	S72-E109 PolarHBondContact OG-OE1 3.12Å; K106-E109 HydrophobicContact CG-CG 4.43Å; K106-E109 WeakPolarHBondContact CG-OE2 3.31Å; K106-E109 IonicContact NZ-OE2 2.77Å; K106-E109 PolarHBondContact NZ-OE2 3.06Å; K106-E109 WeakPolarHBondContact O-CG 3.04Å; G107-E109 PolarHBondContact O-N 3.44Å; E109-R111 VanDerWaalsContact CD-NH2 3.35Å; E109-R111 IonicContact OE1-NH2 3.74Å; E109-R111 PolarHBondContact OE1-NH2 3.43Å; E109-R111 IonicContact OE2-CZ 3.77Å; E109-R111 IonicContact OE2-NE 3.7Å; E109-R111 PolarHBondContact OE2-NE 2.94Å; E109-R111 IonicContact OE2-NH2 3.9Å; E109-R111 PolarHBondContact OE2-NH2 3.09Å; E109-F235 HydrophobicContact CG-CE2 3.85Å
110	I	92.5	Very high	93.5	Very high	8 Å²	8	30 Å²	30	4%	0.041	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	135.3	167.1	-52.2	170.2	0	0	0	107.6	V150 D151 Y152 G199 V200 L202 V207 L209	I110-V150 HydrophobicContact CG2-CB 4.49Å; I110-D151 WeakPolarHBondContact CA-OD1 3.27Å; I110-Y152 HydrophobicContact CD1-CD1 3.58Å; I110-Y152 HydrophobicContact CD1-CE1 4.25Å; I110-Y152 HydrophobicContact CD1-CG 4.06Å; I110-Y152 HydrophobicContact CG1-CD1 4.29Å; I110-Y152 HydrophobicContact CG1-CG 4.27Å; I110-G199 CarbonylContact O-C 3.56Å; I110-G199 WeakPolarHBondContact O-CA 3.49Å; I110-V200 HydrophobicContact CB-CB 3.99Å; I110-V200 HydrophobicContact CG2-CB 3.8Å; I110-V200 HydrophobicContact CG2-CG1 4.31Å; I110-V200 HydrophobicContact CG2-CG2 4.31Å; I110-V200 PolarHBondContact O-N 3.39Å; I110-L202 HydrophobicContact CD1-CD1 3.49Å; I110-L202 VanDerWaalsContact CD1-CD1 3.49Å; I110-L202 HydrophobicContact CD1-CG 4Å; I110-V207 HydrophobicContact CD1-CG1 4.4Å; I110-V207 HydrophobicContact CD1-CG2 4.48Å; I110-L209 HydrophobicContact CG1-CD1 3.88Å
111	R	93.9	Very high	93.1	Very high	45 Å²	45	30.7 Å²	30.7	17%	0.17	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	150.3	179.1	-65.3	-167.1	176.1	-113.9	1.8	113.6	K106 E109 V150 D151 L197 K198	K106-R111 VanDerWaalsContact NZ-NE 3.2Å; E109-R111 VanDerWaalsContact CD-NH2 3.35Å; E109-R111 IonicContact OE1-NH2 3.74Å; E109-R111 PolarHBondContact OE1-NH2 3.43Å; E109-R111 IonicContact OE2-CZ 3.77Å; E109-R111 IonicContact OE2-NE 3.7Å; E109-R111 PolarHBondContact OE2-NE 2.94Å; E109-R111 IonicContact OE2-NH2 3.9Å; E109-R111 PolarHBondContact OE2-NH2 3.09Å; R111-V150 WeakPolarHBondContact O-CA 3.44Å; R111-D151 PolarHBondContact N-OD1 2.92Å; R111-D151 PolarHBondContact N-OD2 3.21Å; R111-D151 PolarHBondContact O-N 2.81Å; R111-L197 PolarHBondContact NH1-O 3.46Å; R111-K198 CarbonylContact C-O 3.59Å; R111-K198 VanDerWaalsContact CA-O 3.26Å; R111-K198 WeakPolarHBondContact CA-O 3.49Å
112	T	96.9	Very high	92.9	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.018	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-72.5	162.9	170.7	65.5	0	0	0	0	111.8	L148 Y149 I167 L197 K198 V200	T112-L148 HydrophobicContact CG2-CD1 4.17Å; T112-L148 HydrophobicContact CG2-CD2 3.81Å; T112-L148 HydrophobicContact CG2-CG 4.14Å; T112-Y149 CarbonylContact C-O 3.59Å; T112-Y149 VanDerWaalsContact CA-O 3.27Å; T112-Y149 WeakPolarHBondContact CA-O 3.47Å; T112-I167 HydrophobicContact CG2-CG2 3.88Å; T112-L197 WeakPolarHBondContact O-CA 3.37Å; T112-L197 PolarHBondContact OG1-N 3.4Å; T112-K198 PolarHBondContact N-O 3.35Å; T112-K198 PolarHBondContact OG1-N 2.94Å; T112-V200 HydrophobicContact CG2-CG2 3.67Å
113	G	96.1	Very high	92.7	Very high	2 Å²	2	37.5 Å²	37.5	2%	0.021	23%	0.227	C	C	.	.			trans	-73.5	-172	173	0	0	0	0	0	114.5	K140 Y149 L197	G113-K140 CarbonylContact C-O 3.54Å; G113-K140 VanDerWaalsContact CA-O 3.31Å; G113-K140 WeakPolarHBondContact CA-O 3.47Å; G113-Y149 PolarHBondContact N-O 2.91Å; G113-L197 PolarHBondContact O-N 3.28Å; G113-L197 VanDerWaalsContact O-N 3.12Å
114	I	96.8	Very high	92.6	Very high	50 Å²	50	42.9 Å²	42.9	26%	0.256	25%	0.252	S	S	.	.			trans	-87.2	133.3	171.4	-59.2	169.3	0	0	0	108.6	P119 K140 A141 A142 C143 L197	I114-P119 HydrophobicContact CG2-CG 4.34Å; I114-K140 PolarHBondContact N-O 3.26Å; I114-A141 HydrophobicContact CB-CB 4.27Å; I114-A141 CarbonylContact O-C 3.59Å; I114-A141 VanDerWaalsContact O-C 3.26Å; I114-A141 WeakPolarHBondContact O-CA 3.31Å; I114-A142 PolarHBondContact O-N 3.13Å; I114-C143 WeakPolarHBondContact O-CB 3.49Å; I114-C143 PolarHBondContact O-N 3.24Å; I114-C143 VanDerWaalsContact O-N 3.07Å; I114-L197 HydrophobicContact CG1-CD2 4.13Å; I114-L197 HydrophobicContact CG1-CG 4.32Å
115	L	96.7	Very high	92.6	Very high	2 Å²	2	43 Å²	43	1%	0.01	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-69.9	155.6	176.9	-59.2	179.1	0	0	0	111.3	G117 G118 G121 I123 C143 L194 S196	L115-G117 PolarHBondContact O-N 2.8Å; L115-G117 VanDerWaalsContact O-N 3.1Å; L115-G118 WeakPolarHBondContact O-CA 3.46Å; L115-G118 PolarHBondContact O-N 3.38Å; L115-G121 WeakPolarHBondContact CD1-O 3.33Å; L115-I123 HydrophobicContact CD1-CG1 4.03Å; L115-I123 HydrophobicContact CD1-CG2 4.33Å; L115-I123 HydrophobicContact CD2-CD1 3.68Å; L115-I123 HydrophobicContact CD2-CG1 4.01Å; L115-C143 CarbonylContact C-O 3.6Å; L115-C143 WeakPolarHBondContact CA-O 3.47Å; L115-C143 HydrophobicContact CD2-CB 3.68Å; L115-L194 VanDerWaalsContact CD1-O 3.26Å; L115-L194 WeakPolarHBondContact CD1-O 3.43Å; L115-S196 PolarHBondContact N-OG 3.39Å
116	T	92.8	Very high	92.7	Very high	91 Å²	91	48 Å²	48	56%	0.558	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.4	175.1	46.9	0	0	0	0	113.4	G118 A142 C143 T144	T116-G118 PolarHBondContact O-N 3.14Å; T116-A142 HydrophobicContact CG2-CB 4.34Å; T116-C143 PolarHBondContact N-O 3.26Å; T116-C143 PolarHBondContact OG1-O 3.45Å; T116-T144 HydrophobicContact CG2-CG2 3.63Å
117	G	87.5	Confident	93	Very high	55 Å²	55	52.1 Å²	52.1	57%	0.567	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	5.4	171.3	0	0	0	0	0	114.8	L115	L115-G117 PolarHBondContact O-N 2.8Å; L115-G117 VanDerWaalsContact O-N 3.1Å
118	G	90.9	Very high	93.4	Very high	21 Å²	21	56.4 Å²	56.4	22%	0.216	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	83.4	-174.9	-177.1	0	0	0	0	0	114	L115 T116 T120 G121 S196	L115-G118 WeakPolarHBondContact O-CA 3.46Å; L115-G118 PolarHBondContact O-N 3.38Å; T116-G118 PolarHBondContact O-N 3.14Å; G118-T120 PolarHBondContact O-N 3.23Å; G118-T120 VanDerWaalsContact O-N 3.16Å; G118-G121 PolarHBondContact O-N 3.01Å; G118-S196 PolarHBondContact O-OG 2.96Å; G118-S196 VanDerWaalsContact O-OG 3.07Å
119	P	88.2	Confident	93.9	Very high	92 Å²	92	59.6 Å²	59.6	60%	0.597	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.4	-173.9	-25.9	35.2	0	0	0	114.9	I114 S196	I114-P119 HydrophobicContact CG2-CG 4.34Å; P119-S196 WeakPolarHBondContact O-CB 3.36Å
120	T	89.3	Confident	94.5	Very high	137 Å²	137	63.8 Å²	63.8	84%	0.84	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	2.3	177.7	58.9	0	0	0	0	113	G118	G118-T120 PolarHBondContact O-N 3.23Å; G118-T120 VanDerWaalsContact O-N 3.16Å
121	G	89.8	Confident	94.8	Very high	13 Å²	13	63.4 Å²	63.4	13%	0.134	35%	0.345	C	S	.	.			trans	-65.7	156.2	175.6	0	0	0	0	0	111.2	L115 G118	L115-G121 WeakPolarHBondContact CD1-O 3.33Å; G118-G121 PolarHBondContact O-N 3.01Å
122	E	93.8	Very high	95	Very high	128 Å²	128	63.2 Å²	63.2	60%	0.598	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	146.7	170.6	-69.6	-173.3	158.9	0	0	109.3	K193 L194	E122-K193 IonicContact OE2-NZ 3.06Å; E122-L194 WeakPolarHBondContact CA-O 3.3Å
123	I	95.8	Very high	95.1	Very high	29 Å²	29	63.2 Å²	63.2	15%	0.149	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	153.2	170.4	57.6	173	0	0	0	109.6	L115 L125 T144 K193 L194	L115-I123 HydrophobicContact CD1-CG1 4.03Å; L115-I123 HydrophobicContact CD1-CG2 4.33Å; L115-I123 HydrophobicContact CD2-CD1 3.68Å; L115-I123 HydrophobicContact CD2-CG1 4.01Å; I123-L125 HydrophobicContact CD1-CD2 4.1Å; I123-T144 WeakPolarHBondContact CD1-O 3.5Å; I123-K193 CarbonylContact O-C 3.39Å; I123-K193 WeakPolarHBondContact O-CA 3.32Å; I123-L194 HydrophobicContact CD1-CD2 4.23Å; I123-L194 HydrophobicContact CG1-CB 3.98Å; I123-L194 HydrophobicContact CG1-CG 4.47Å; I123-L194 PolarHBondContact N-O 2.88Å; I123-L194 PolarHBondContact O-N 3.38Å
124	E	97	Very high	95.2	Very high	114 Å²	114	63.7 Å²	63.7	53%	0.533	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120	174.7	-173.6	-178.3	-150.6	0	0	109.8	K126	E124-K126 HydrophobicContact CG-CG 4.29Å; E124-K126 WeakPolarHBondContact OE2-CE 3.36Å; E124-K126 IonicContact OE2-NZ 2.72Å
125	L	97.6	Very high	95.1	Very high	3 Å²	3	62 Å²	62	2%	0.016	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	121.6	169.5	-61	-169.2	0	0	0	108.5	I123 I131 Q145 I172 I188 G191 G192 L194	I123-L125 HydrophobicContact CD1-CD2 4.1Å; L125-I131 HydrophobicContact CD1-CD1 4.06Å; L125-I131 HydrophobicContact CD2-CD1 3.87Å; L125-Q145 HydrophobicContact CD2-CB 4.23Å; L125-I172 HydrophobicContact CD1-CD1 4.28Å; L125-I172 HydrophobicContact CD1-CG2 3.99Å; L125-I188 HydrophobicContact CB-CD1 3.96Å; L125-I188 HydrophobicContact CB-CG2 4.38Å; L125-I188 HydrophobicContact CD2-CD1 4.35Å; L125-G191 CarbonylContact O-C 3.59Å; L125-G191 WeakPolarHBondContact O-CA 3.33Å; L125-G192 PolarHBondContact N-O 2.82Å; L125-G192 PolarHBondContact O-N 3.11Å; L125-L194 HydrophobicContact CD1-CB 4.3Å; L125-L194 HydrophobicContact CD1-CD2 3.93Å; L125-L194 HydrophobicContact CG-CB 4.28Å; L125-L194 HydrophobicContact CG-CD2 4.5Å
126	K	97.8	Very high	95.1	Very high	112 Å²	112	64 Å²	64	49%	0.487	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-98.3	138.8	-178.3	-64.8	-176.8	-180	-178.9	0	110.7	E124 N129 I188	E124-K126 HydrophobicContact CG-CG 4.29Å; E124-K126 WeakPolarHBondContact OE2-CE 3.36Å; E124-K126 IonicContact OE2-NZ 2.72Å; K126-N129 WeakPolarHBondContact O-CB 3.46Å; K126-N129 PolarHBondContact O-N 2.64Å; K126-I188 WeakPolarHBondContact O-CB 3.48Å; K126-I188 WeakPolarHBondContact O-CD1 3.26Å; K126-I188 WeakPolarHBondContact O-CG2 3.34Å
127	K	97.9	Very high	95.2	Very high	126 Å²	126	64.2 Å²	64.2	55%	0.548	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	143.4	175.9	179	169.8	-178.8	174.1	0	111.2	N129 E189	K127-N129 PolarHBondContact O-N 3.23Å; K127-E189 WeakPolarHBondContact CD-O 3.36Å; K127-E189 WeakPolarHBondContact CG-O 3.36Å
128	D	97.5	Very high	95.6	Very high	96 Å²	96	71.3 Å²	71.3	51%	0.513	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	-6.6	-179.1	-58	-45.4	0	0	0	116.3	R187 I188	D128-R187 IonicContact OD1-NH1 3.11Å; D128-R187 PolarHBondContact OD1-NH1 2.93Å; D128-R187 VanDerWaalsContact OD1-NH1 3.11Å; D128-I188 PolarHBondContact N-O 3.24Å
129	N	98	Very high	95.8	Very high	86 Å²	86	72.4 Å²	72.4	46%	0.46	36%	0.358	S	S	.	.			trans	-68.8	160.5	167.9	-73.3	9.1	0	0	0	111.3	K126 K127 I188	K126-N129 WeakPolarHBondContact O-CB 3.46Å; K126-N129 PolarHBondContact O-N 2.64Å; K127-N129 PolarHBondContact O-N 3.23Å; N129-I188 HydrophobicContact CB-CD1 3.99Å; N129-I188 PolarHBondContact O-N 3.38Å
130	K	98.2	Very high	96.2	Very high	126 Å²	126	72.9 Å²	72.9	55%	0.548	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	145	173.6	-61.3	-163.3	-176.6	-142.9	0	111.6	E177 V185 C186	K130-E177 WeakPolarHBondContact CE-OE2 3.14Å; K130-E177 IonicContact NZ-OE2 3.57Å; K130-E177 PolarHBondContact NZ-OE2 3.05Å; K130-V185 HydrophobicContact CD-CG1 4.16Å; K130-C186 VanDerWaalsContact CA-O 3.31Å; K130-C186 WeakPolarHBondContact CA-O 3.32Å
131	I	98.3	Very high	96.5	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	141.2	170.3	-170	171.1	0	0	0	109.5	L125 L148 L174 C186 I188	L125-I131 HydrophobicContact CD1-CD1 4.06Å; L125-I131 HydrophobicContact CD2-CD1 3.87Å; I131-L148 HydrophobicContact CD1-CB 3.96Å; I131-L148 HydrophobicContact CD1-CD2 4.33Å; I131-L148 HydrophobicContact CG1-CB 4.44Å; I131-L174 HydrophobicContact CG2-CD1 3.86Å; I131-L174 HydrophobicContact CG2-CD2 3.85Å; I131-L174 HydrophobicContact CG2-CG 4.46Å; I131-C186 HydrophobicContact CG2-CB 4.06Å; I131-C186 PolarHBondContact N-O 2.9Å; I131-C186 PolarHBondContact O-N 2.83Å; I131-I188 HydrophobicContact CB-CD1 4.28Å; I131-I188 HydrophobicContact CB-CG1 4.37Å; I131-I188 HydrophobicContact CG2-CD1 4.33Å; I131-I188 HydrophobicContact CG2-CG1 3.88Å
132	T	98.4	Very high	96.8	Very high	41 Å²	41	70.4 Å²	70.4	25%	0.252	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	118	175.5	-60.2	0	0	0	0	110	N146 I147 L148 I184	T132-N146 PolarHBondContact N-O 2.66Å; T132-I147 CarbonylContact O-C 3.24Å; T132-I147 VanDerWaalsContact O-CA 3.31Å; T132-I147 WeakPolarHBondContact O-CA 3.45Å; T132-L148 PolarHBondContact O-N 3.38Å; T132-I184 WeakPolarHBondContact CA-O 3.45Å
133	L	98.3	Very high	96.9	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	135.9	165.1	-55.2	-174.5	0	0	0	109	L148 I165 L174 S183 I184	L133-L148 CarbonylContact C-O 3.58Å; L133-L148 VanDerWaalsContact CA-O 3.29Å; L133-L148 WeakPolarHBondContact CA-O 3.48Å; L133-L148 HydrophobicContact CD2-CB 3.84Å; L133-L148 HydrophobicContact CD2-CD2 3.81Å; L133-L148 HydrophobicContact CD2-CG 4.18Å; L133-I165 HydrophobicContact CD1-CD1 3.45Å; L133-I165 VanDerWaalsContact CD1-CD1 3.45Å; L133-I165 HydrophobicContact CD1-CG2 3.97Å; L133-L174 HydrophobicContact CD1-CD1 4.26Å; L133-L174 HydrophobicContact CD2-CD1 3.92Å; L133-L174 HydrophobicContact CG-CD1 4.32Å; L133-S183 CarbonylContact O-C 3.43Å; L133-S183 WeakPolarHBondContact O-CA 3.29Å; L133-S183 WeakPolarHBondContact O-CB 3.45Å; L133-I184 HydrophobicContact CB-CB 4.28Å; L133-I184 PolarHBondContact N-O 2.68Å; L133-I184 PolarHBondContact O-N 3.28Å
134	T	97.7	Very high	97	Very high	12 Å²	12	64.8 Å²	64.8	7%	0.074	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150.4	-179.8	-172.6	0	0	0	0	112.1	D136 M139 I147 L148 Y149 V150 N182	T134-D136 HydrophobicContact CG2-CB 4.47Å; T134-D136 WeakPolarHBondContact OG1-CB 3.5Å; T134-D136 PolarHBondContact OG1-N 3.12Å; T134-D136 VanDerWaalsContact OG1-N 3.15Å; T134-M139 HydrophobicContact CG2-CB 3.85Å; T134-M139 HydrophobicContact CG2-CG 4Å; T134-I147 HydrophobicContact CG2-CD1 3.94Å; T134-I147 HydrophobicContact CG2-CG1 3.8Å; T134-L148 PolarHBondContact N-O 3.21Å; T134-Y149 WeakPolarHBondContact O-CA 3.31Å; T134-V150 PolarHBondContact O-N 2.52Å; T134-N182 PolarHBondContact OG1-O 3.24Å
135	V	96.7	Very high	96.9	Very high	14 Å²	14	64.2 Å²	64.2	9%	0.085	32%	0.316	C	S	.	.			trans	-101.5	6.3	171.1	-63.5	0	0	0	0	112.7	E137 V150 Y152 K153 I155 N182	V135-E137 PolarHBondContact O-N 3.31Å; V135-V150 HydrophobicContact CG1-CG2 4.17Å; V135-Y152 WeakPolarHBondContact CG1-O 3.36Å; V135-K153 HydrophobicContact CB-CD 4.03Å; V135-K153 PolarHBondContact O-NZ 3.31Å; V135-I155 HydrophobicContact CG1-CG2 3.61Å; V135-N182 HydrophobicContact CG2-CB 4.1Å; V135-N182 PolarHBondContact N-O 2.84Å
136	D	96.2	Very high	96.9	Very high	46 Å²	46	68.9 Å²	68.9	25%	0.246	34%	0.341	C	S	.	.			trans	-67.7	112.3	177.4	-172.5	-13.8	0	0	0	111	T134 R138 M139 Y149	T134-D136 HydrophobicContact CG2-CB 4.47Å; T134-D136 WeakPolarHBondContact OG1-CB 3.5Å; T134-D136 PolarHBondContact OG1-N 3.12Å; T134-D136 VanDerWaalsContact OG1-N 3.15Å; D136-R138 PolarHBondContact O-N 3.29Å; D136-R138 VanDerWaalsContact OD1-CB 3.32Å; D136-R138 WeakPolarHBondContact OD1-CB 3.13Å; D136-R138 WeakPolarHBondContact OD1-CG 3.47Å; D136-R138 IonicContact OD1-CZ 3.19Å; D136-R138 PolarHBondContact OD1-N 3.48Å; D136-R138 IonicContact OD1-NE 2.93Å; D136-R138 PolarHBondContact OD1-NE 2.79Å; D136-R138 IonicContact OD2-CZ 3.82Å; D136-R138 IonicContact OD2-NE 2.65Å; D136-R138 PolarHBondContact OD2-NE 3.01Å; D136-R138 IonicContact OD2-NH2 3.98Å; D136-R138 PolarHBondContact OD2-NH2 2.65Å; D136-M139 HydrophobicContact CB-CG 4.48Å; D136-M139 PolarHBondContact O-N 3Å; D136-Y149 VanDerWaalsContact O-CD2 3.27Å; D136-Y149 WeakPolarHBondContact O-CD2 3.42Å
137	E	95.3	Very high	96.9	Very high	95 Å²	95	65.9 Å²	65.9	44%	0.444	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-55.4	-25.2	-180	-73.7	-72.4	161	0	0	113.1	V135 M139 K140 Y149 K153	V135-E137 PolarHBondContact O-N 3.31Å; E137-M139 PolarHBondContact O-N 3.24Å; E137-K140 WeakPolarHBondContact O-CB 3.37Å; E137-K140 PolarHBondContact O-N 3.17Å; E137-K140 VanDerWaalsContact O-N 3.12Å; E137-K140 WeakPolarHBondContact OE2-CD 3.31Å; E137-K140 IonicContact OE2-NZ 2.73Å; E137-Y149 PolarHBondContact OE1-OH 3Å; E137-K153 VanDerWaalsContact CD-NZ 3.35Å; E137-K153 WeakPolarHBondContact OE1-CE 3.39Å; E137-K153 IonicContact OE1-NZ 2.6Å; E137-K153 PolarHBondContact OE1-NZ 2.94Å
138	R	95.1	Very high	96.9	Very high	204 Å²	204	59.9 Å²	59.9	77%	0.77	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-62.2	-25.9	176.3	-62.4	177.2	-67.5	179.4	1.9	112.5	D136	D136-R138 PolarHBondContact O-N 3.29Å; D136-R138 VanDerWaalsContact OD1-CB 3.32Å; D136-R138 WeakPolarHBondContact OD1-CB 3.13Å; D136-R138 WeakPolarHBondContact OD1-CG 3.47Å; D136-R138 IonicContact OD1-CZ 3.19Å; D136-R138 PolarHBondContact OD1-N 3.48Å; D136-R138 IonicContact OD1-NE 2.93Å; D136-R138 PolarHBondContact OD1-NE 2.79Å; D136-R138 IonicContact OD2-CZ 3.82Å; D136-R138 IonicContact OD2-NE 2.65Å; D136-R138 PolarHBondContact OD2-NE 3.01Å; D136-R138 IonicContact OD2-NH2 3.98Å; D136-R138 PolarHBondContact OD2-NH2 2.65Å
139	M	95.3	Very high	96.9	Very high	43 Å²	43	55.5 Å²	55.5	21%	0.212	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-91.7	-2.7	-179.8	-59.6	-52.6	-57.5	0	0	113.4	T134 D136 E137 A141 A142 C143 I147	T134-M139 HydrophobicContact CG2-CB 3.85Å; T134-M139 HydrophobicContact CG2-CG 4Å; D136-M139 HydrophobicContact CB-CG 4.48Å; D136-M139 PolarHBondContact O-N 3Å; E137-M139 PolarHBondContact O-N 3.24Å; M139-A141 PolarHBondContact O-N 3.47Å; M139-A141 VanDerWaalsContact O-N 3.09Å; M139-A142 HydrophobicContact CE-CB 3.95Å; M139-A142 VanDerWaalsContact CE-O 3.24Å; M139-A142 WeakPolarHBondContact CE-O 3.24Å; M139-A142 PolarHBondContact O-N 2.96Å; M139-C143 PolarHBondContact O-SG 3.08Å; M139-C143 VanDerWaalsContact O-SG 3.39Å; M139-I147 HydrophobicContact CE-CD1 4.11Å; M139-I147 HydrophobicContact CE-CG1 4.31Å; M139-I147 HydrophobicContact CE-CG2 3.55Å; M139-I147 HydrophobicContact CG-CD1 4Å; M139-I147 HydrophobicContact SD-CD1 4.44Å
140	K	96	Very high	96.9	Very high	103 Å²	103	51.4 Å²	51.4	45%	0.448	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-31.4	-174.3	-177.9	168.4	179.8	176.5	0	114.2	G113 I114 E137 Y149	G113-K140 CarbonylContact C-O 3.54Å; G113-K140 VanDerWaalsContact CA-O 3.31Å; G113-K140 WeakPolarHBondContact CA-O 3.47Å; I114-K140 PolarHBondContact N-O 3.26Å; E137-K140 WeakPolarHBondContact O-CB 3.37Å; E137-K140 PolarHBondContact O-N 3.17Å; E137-K140 VanDerWaalsContact O-N 3.12Å; E137-K140 WeakPolarHBondContact OE2-CD 3.31Å; E137-K140 IonicContact OE2-NZ 2.73Å; K140-Y149 HydrophobicContact CB-CD1 4.08Å; K140-Y149 HydrophobicContact CB-CD2 4.24Å; K140-Y149 HydrophobicContact CB-CE1 4.16Å; K140-Y149 HydrophobicContact CB-CE2 4.29Å; K140-Y149 HydrophobicContact CB-CG 4.12Å; K140-Y149 HydrophobicContact CD-CE1 4.12Å; K140-Y149 HydrophobicContact CG-CD1 3.99Å; K140-Y149 HydrophobicContact CG-CE1 3.81Å
141	A	95.5	Very high	96.7	Very high	66 Å²	66	48.6 Å²	48.6	55%	0.545	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	23.1	175.9	0	0	0	0	0	113.7	I114 M139	I114-A141 HydrophobicContact CB-CB 4.27Å; I114-A141 CarbonylContact O-C 3.59Å; I114-A141 VanDerWaalsContact O-C 3.26Å; I114-A141 WeakPolarHBondContact O-CA 3.31Å; M139-A141 PolarHBondContact O-N 3.47Å; M139-A141 VanDerWaalsContact O-N 3.09Å
142	A	95.6	Very high	96.5	Very high	32 Å²	32	48.8 Å²	48.8	26%	0.264	25%	0.25	S	C	.	.			trans	-134.2	33.5	-178.2	0	0	0	0	0	111.8	I114 T116 M139	I114-A142 PolarHBondContact O-N 3.13Å; T116-A142 HydrophobicContact CG2-CB 4.34Å; M139-A142 HydrophobicContact CE-CB 3.95Å; M139-A142 VanDerWaalsContact CE-O 3.24Å; M139-A142 WeakPolarHBondContact CE-O 3.24Å; M139-A142 PolarHBondContact O-N 2.96Å
143	C	96.9	Very high	96.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-70.6	139.6	-180	-64.3	0	0	0	0	111.4	I114 L115 T116 M139 I147 L148 Y149	I114-C143 WeakPolarHBondContact O-CB 3.49Å; I114-C143 PolarHBondContact O-N 3.24Å; I114-C143 VanDerWaalsContact O-N 3.07Å; L115-C143 CarbonylContact C-O 3.6Å; L115-C143 WeakPolarHBondContact CA-O 3.47Å; L115-C143 HydrophobicContact CD2-CB 3.68Å; T116-C143 PolarHBondContact N-O 3.26Å; T116-C143 PolarHBondContact OG1-O 3.45Å; M139-C143 PolarHBondContact O-SG 3.08Å; M139-C143 VanDerWaalsContact O-SG 3.39Å; C143-I147 WeakPolarHBondContact CA-O 3.26Å; C143-L148 HydrophobicContact CB-CD1 3.81Å; C143-Y149 VanDerWaalsContact SG-CB 3.58Å; C143-Y149 PolarHBondContact SG-N 3.09Å
144	T	96.8	Very high	96.1	Very high	39 Å²	39	52.6 Å²	52.6	24%	0.239	26%	0.264	C	S	.	.			trans	-138.4	179.2	-179.2	68.3	0	0	0	0	110.5	T116 I123 N146 I147	T116-T144 HydrophobicContact CG2-CG2 3.63Å; I123-T144 WeakPolarHBondContact CD1-O 3.5Å; T144-N146 PolarHBondContact O-N 3.06Å; T144-N146 VanDerWaalsContact O-N 3.14Å; T144-N146 PolarHBondContact OG1-N 3.42Å; T144-I147 PolarHBondContact N-O 2.78Å; T144-I147 PolarHBondContact O-N 3.48Å; T144-I147 VanDerWaalsContact O-O 3.07Å; T144-I147 PolarHBondContact OG1-N 3.06Å
145	Q	95.8	Very high	96	Very high	101 Å²	101	52.1 Å²	52.1	47%	0.472	26%	0.261	S	S	.	.	S	Bend	trans	-61.6	-16.5	174.2	68.4	-171.9	1.4	0	0	114.5	L125	L125-Q145 HydrophobicContact CD2-CB 4.23Å
146	N	97.2	Very high	96	Very high	102 Å²	102	52.4 Å²	52.4	55%	0.545	26%	0.263	S	S	.	.	S	Bend	trans	-102.8	-25.6	-178.3	-62.2	-30.6	0	0	0	113.1	T132 T144	T132-N146 PolarHBondContact N-O 2.66Å; T144-N146 PolarHBondContact O-N 3.06Å; T144-N146 VanDerWaalsContact O-N 3.14Å; T144-N146 PolarHBondContact OG1-N 3.42Å
147	I	97.4	Very high	96	Very high	48 Å²	48	57.8 Å²	57.8	25%	0.246	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	128.9	-175.1	-174.2	163.6	0	0	0	110.8	T132 T134 M139 C143 T144	T132-I147 CarbonylContact O-C 3.24Å; T132-I147 VanDerWaalsContact O-CA 3.31Å; T132-I147 WeakPolarHBondContact O-CA 3.45Å; T134-I147 HydrophobicContact CG2-CD1 3.94Å; T134-I147 HydrophobicContact CG2-CG1 3.8Å; M139-I147 HydrophobicContact CE-CD1 4.11Å; M139-I147 HydrophobicContact CE-CG1 4.31Å; M139-I147 HydrophobicContact CE-CG2 3.55Å; M139-I147 HydrophobicContact CG-CD1 4Å; M139-I147 HydrophobicContact SD-CD1 4.44Å; C143-I147 WeakPolarHBondContact CA-O 3.26Å; T144-I147 PolarHBondContact N-O 2.78Å; T144-I147 PolarHBondContact O-N 3.48Å; T144-I147 VanDerWaalsContact O-O 3.07Å; T144-I147 PolarHBondContact OG1-N 3.06Å
148	L	97.9	Very high	95.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	121.3	-174.8	-174.7	63.7	0	0	0	109.9	T112 I131 T132 L133 T134 C143 I167 L194	T112-L148 HydrophobicContact CG2-CD1 4.17Å; T112-L148 HydrophobicContact CG2-CD2 3.81Å; T112-L148 HydrophobicContact CG2-CG 4.14Å; I131-L148 HydrophobicContact CD1-CB 3.96Å; I131-L148 HydrophobicContact CD1-CD2 4.33Å; I131-L148 HydrophobicContact CG1-CB 4.44Å; T132-L148 PolarHBondContact O-N 3.38Å; L133-L148 CarbonylContact C-O 3.58Å; L133-L148 VanDerWaalsContact CA-O 3.29Å; L133-L148 WeakPolarHBondContact CA-O 3.48Å; L133-L148 HydrophobicContact CD2-CB 3.84Å; L133-L148 HydrophobicContact CD2-CD2 3.81Å; L133-L148 HydrophobicContact CD2-CG 4.18Å; T134-L148 PolarHBondContact N-O 3.21Å; C143-L148 HydrophobicContact CB-CD1 3.81Å; L148-I167 HydrophobicContact CD2-CD1 3.61Å; L148-L194 HydrophobicContact CD1-CD2 3.91Å; L148-L194 HydrophobicContact CD2-CD2 3.74Å; L148-L194 HydrophobicContact CG-CD2 4.49Å
149	Y	98.3	Very high	95.9	Very high	5 Å²	5	44.8 Å²	44.8	2%	0.02	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	141.1	171.9	172.9	-93	0	0	0	110.8	T112 G113 T134 D136 E137 K140 C143 D151 K153	T112-Y149 CarbonylContact C-O 3.59Å; T112-Y149 VanDerWaalsContact CA-O 3.27Å; T112-Y149 WeakPolarHBondContact CA-O 3.47Å; G113-Y149 PolarHBondContact N-O 2.91Å; T134-Y149 WeakPolarHBondContact O-CA 3.31Å; D136-Y149 VanDerWaalsContact O-CD2 3.27Å; D136-Y149 WeakPolarHBondContact O-CD2 3.42Å; E137-Y149 PolarHBondContact OE1-OH 3Å; K140-Y149 HydrophobicContact CB-CD1 4.08Å; K140-Y149 HydrophobicContact CB-CD2 4.24Å; K140-Y149 HydrophobicContact CB-CE1 4.16Å; K140-Y149 HydrophobicContact CB-CE2 4.29Å; K140-Y149 HydrophobicContact CB-CG 4.12Å; K140-Y149 HydrophobicContact CD-CE1 4.12Å; K140-Y149 HydrophobicContact CG-CD1 3.99Å; K140-Y149 HydrophobicContact CG-CE1 3.81Å; C143-Y149 VanDerWaalsContact SG-CB 3.58Å; C143-Y149 PolarHBondContact SG-N 3.09Å; Y149-D151 HydrophobicContact CE1-CB 3.97Å; Y149-K153 PolarHBondContact OH-NZ 3.47Å
150	V	97.3	Very high	95.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-126.6	141.5	167.7	-65	0	0	0	0	110.2	I110 R111 T134 V135 Y152 I155 V200	I110-V150 HydrophobicContact CG2-CB 4.49Å; R111-V150 WeakPolarHBondContact O-CA 3.44Å; T134-V150 PolarHBondContact O-N 2.52Å; V135-V150 HydrophobicContact CG1-CG2 4.17Å; V150-Y152 VanDerWaalsContact C-N 3.31Å; V150-Y152 PolarHBondContact O-N 3.38Å; V150-I155 HydrophobicContact CG2-CD1 3.91Å; V150-I155 HydrophobicContact CG2-CG2 4.05Å; V150-V200 HydrophobicContact CG1-CG2 4.23Å
151	D	94.5	Very high	96	Very high	66 Å²	66	53.5 Å²	53.5	35%	0.353	27%	0.271	S	S	.	.	S	Bend	trans	-79.9	-8.3	-174.9	63.4	1.3	0	0	0	115	I110 R111 Y149 K153	I110-D151 WeakPolarHBondContact CA-OD1 3.27Å; R111-D151 PolarHBondContact N-OD1 2.92Å; R111-D151 PolarHBondContact N-OD2 3.21Å; R111-D151 PolarHBondContact O-N 2.81Å; Y149-D151 HydrophobicContact CE1-CB 3.97Å; D151-K153 PolarHBondContact O-N 3.48Å
152	Y	94.8	Very high	96	Very high	6 Å²	6	52.5 Å²	52.5	2%	0.024	27%	0.266	C	S	.	.			trans	-84.7	96.1	176.6	179.3	-145	0	0	0	112.6	I110 V135 V150 N154 I155 V158 L202 V207 D208 L209	I110-Y152 HydrophobicContact CD1-CD1 3.58Å; I110-Y152 HydrophobicContact CD1-CE1 4.25Å; I110-Y152 HydrophobicContact CD1-CG 4.06Å; I110-Y152 HydrophobicContact CG1-CD1 4.29Å; I110-Y152 HydrophobicContact CG1-CG 4.27Å; V135-Y152 WeakPolarHBondContact CG1-O 3.36Å; V150-Y152 VanDerWaalsContact C-N 3.31Å; V150-Y152 PolarHBondContact O-N 3.38Å; Y152-N154 HydrophobicContact CD2-CB 4.29Å; Y152-N154 HydrophobicContact CE2-CB 3.57Å; Y152-N154 PolarHBondContact O-N 2.9Å; Y152-N154 VanDerWaalsContact O-N 3.14Å; Y152-I155 HydrophobicContact CD1-CB 3.61Å; Y152-I155 HydrophobicContact CD1-CG1 4.01Å; Y152-I155 HydrophobicContact CE1-CB 4.18Å; Y152-I155 HydrophobicContact CG-CB 4.23Å; Y152-I155 VanDerWaalsContact O-CB 3.29Å; Y152-I155 WeakPolarHBondContact O-CB 3.49Å; Y152-I155 WeakPolarHBondContact O-CG2 3.48Å; Y152-I155 PolarHBondContact O-N 2.73Å; Y152-I155 VanDerWaalsContact O-N 3.12Å; Y152-V158 HydrophobicContact CE1-CG2 3.57Å; Y152-V158 WeakPolarHBondContact OH-CG1 3.46Å; Y152-L202 HydrophobicContact CD1-CD1 4.02Å; Y152-L202 HydrophobicContact CE1-CD1 4.09Å; Y152-V207 HydrophobicContact CE1-CG1 4.18Å; Y152-D208 WeakPolarHBondContact CE2-OD1 3.41Å; Y152-D208 PolarHBondContact OH-N 3.05Å; Y152-D208 VanDerWaalsContact OH-N 3.12Å; Y152-D208 PolarHBondContact OH-OD1 3.22Å; Y152-L209 HydrophobicContact CD2-CD1 4.33Å; Y152-L209 HydrophobicContact CD2-CD2 3.63Å; Y152-L209 HydrophobicContact CD2-CG 3.86Å; Y152-L209 HydrophobicContact CE2-CD2 3.88Å; Y152-L209 HydrophobicContact CE2-CG 3.85Å
153	K	93.6	Very high	96	Very high	91 Å²	91	51.9 Å²	51.9	40%	0.396	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.9	-176.1	-60	-50.7	-175.4	-165.5	0	115.2	V135 E137 Y149 D151	V135-K153 HydrophobicContact CB-CD 4.03Å; V135-K153 PolarHBondContact O-NZ 3.31Å; E137-K153 VanDerWaalsContact CD-NZ 3.35Å; E137-K153 WeakPolarHBondContact OE1-CE 3.39Å; E137-K153 IonicContact OE1-NZ 2.6Å; E137-K153 PolarHBondContact OE1-NZ 2.94Å; Y149-K153 PolarHBondContact OH-NZ 3.47Å; D151-K153 PolarHBondContact O-N 3.48Å
154	N	94.8	Very high	96	Very high	31 Å²	31	56.3 Å²	56.3	17%	0.166	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	8	-177.1	-148.3	41.9	0	0	0	113.5	Y152 T156 K157 D208	Y152-N154 HydrophobicContact CD2-CB 4.29Å; Y152-N154 HydrophobicContact CE2-CB 3.57Å; Y152-N154 PolarHBondContact O-N 2.9Å; Y152-N154 VanDerWaalsContact O-N 3.14Å; N154-T156 VanDerWaalsContact C-N 3.28Å; N154-T156 PolarHBondContact O-N 3.19Å; N154-K157 PolarHBondContact O-N 2.75Å; N154-K157 WeakPolarHBondContact OD1-CD 3.45Å; N154-K157 WeakPolarHBondContact OD1-CE 3.24Å; N154-K157 WeakPolarHBondContact OD1-CG 3.44Å; N154-K157 PolarHBondContact OD1-NZ 3.42Å; N154-D208 VanDerWaalsContact ND2-CG 3.32Å; N154-D208 PolarHBondContact ND2-OD1 3.24Å; N154-D208 PolarHBondContact ND2-OD2 3.45Å
155	I	96	Very high	96	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.015	27%	0.268	C	S	.	.	H	α-helix	trans	-54.9	-39.8	-173.9	-165	172.4	0	0	0	113.3	V135 V150 Y152 K157 V158 V159 I184 L202	V135-I155 HydrophobicContact CG1-CG2 3.61Å; V150-I155 HydrophobicContact CG2-CD1 3.91Å; V150-I155 HydrophobicContact CG2-CG2 4.05Å; Y152-I155 HydrophobicContact CD1-CB 3.61Å; Y152-I155 HydrophobicContact CD1-CG1 4.01Å; Y152-I155 HydrophobicContact CE1-CB 4.18Å; Y152-I155 HydrophobicContact CG-CB 4.23Å; Y152-I155 VanDerWaalsContact O-CB 3.29Å; Y152-I155 WeakPolarHBondContact O-CB 3.49Å; Y152-I155 WeakPolarHBondContact O-CG2 3.48Å; Y152-I155 PolarHBondContact O-N 2.73Å; Y152-I155 VanDerWaalsContact O-N 3.12Å; I155-K157 PolarHBondContact O-N 2.7Å; I155-V158 PolarHBondContact O-N 3.06Å; I155-V159 HydrophobicContact CD1-CG2 4.41Å; I155-V159 HydrophobicContact CG1-CG2 3.65Å; I155-V159 WeakPolarHBondContact O-CB 3.48Å; I155-V159 WeakPolarHBondContact O-CG2 3.27Å; I155-V159 PolarHBondContact O-N 2.98Å; I155-I184 HydrophobicContact CD1-CD1 4.19Å; I155-I184 HydrophobicContact CG1-CD1 3.89Å; I155-I184 HydrophobicContact CG2-CD1 4.12Å; I155-L202 HydrophobicContact CD1-CD1 4.1Å; I155-L202 HydrophobicContact CD1-CD2 4.2Å; I155-L202 HydrophobicContact CG1-CD1 3.91Å
156	T	96	Very high	96.1	Very high	20 Å²	20	52.4 Å²	52.4	12%	0.123	26%	0.256	C	S	.	.	H	α-helix	trans	-67.5	-16.9	-179.9	52.7	0	0	0	0	113.4	N154 V179 D180 N181 I184	N154-T156 VanDerWaalsContact C-N 3.28Å; N154-T156 PolarHBondContact O-N 3.19Å; T156-V179 HydrophobicContact CG2-CG1 4.35Å; T156-V179 VanDerWaalsContact O-CG1 3.28Å; T156-V179 WeakPolarHBondContact O-CG1 3.02Å; T156-D180 WeakPolarHBondContact CB-O 3.46Å; T156-D180 WeakPolarHBondContact CG2-O 3.49Å; T156-N181 WeakPolarHBondContact CB-O 3.4Å; T156-N181 PolarHBondContact OG1-O 3.23Å; T156-I184 HydrophobicContact CG2-CD1 4.38Å; T156-I184 HydrophobicContact CG2-CG1 3.9Å
157	K	95.3	Very high	96.1	Very high	159 Å²	159	47.6 Å²	47.6	69%	0.691	23%	0.23	S	C	*	.	H	α-helix	trans	-89.4	-24.1	176.3	-56.6	-161.2	-162.7	132.9	0	113.3	N154 I155	N154-K157 PolarHBondContact O-N 2.75Å; N154-K157 WeakPolarHBondContact OD1-CD 3.45Å; N154-K157 WeakPolarHBondContact OD1-CE 3.24Å; N154-K157 WeakPolarHBondContact OD1-CG 3.44Å; N154-K157 PolarHBondContact OD1-NZ 3.42Å; I155-K157 PolarHBondContact O-N 2.7Å
158	V	94.1	Very high	95.9	Very high	21 Å²	21	46.2 Å²	46.2	13%	0.127	22%	0.223	C	C	.	.	H	α-helix	trans	-105.6	-24.9	-174.9	-53	0	0	0	0	113.3	Y152 I155 L202 S205 K206	Y152-V158 HydrophobicContact CE1-CG2 3.57Å; Y152-V158 WeakPolarHBondContact OH-CG1 3.46Å; I155-V158 PolarHBondContact O-N 3.06Å; V158-L202 HydrophobicContact CG2-CD1 4.45Å; V158-S205 PolarHBondContact O-OG 3.19Å; V158-K206 WeakPolarHBondContact CG1-O 3.35Å
159	V	95.6	Very high	95.5	Very high	5 Å²	5	52 Å²	52	3%	0.03	26%	0.255	C	S	.	.			trans	-83.9	137.2	173.4	177	0	0	0	0	109.2	I155 A163 I165 A176 I184 L202	I155-V159 HydrophobicContact CD1-CG2 4.41Å; I155-V159 HydrophobicContact CG1-CG2 3.65Å; I155-V159 WeakPolarHBondContact O-CB 3.48Å; I155-V159 WeakPolarHBondContact O-CG2 3.27Å; I155-V159 PolarHBondContact O-N 2.98Å; V159-A163 HydrophobicContact CG1-CB 3.96Å; V159-I165 HydrophobicContact CG1-CD1 4.14Å; V159-A176 HydrophobicContact CG1-CB 3.95Å; V159-I184 HydrophobicContact CB-CD1 3.83Å; V159-I184 HydrophobicContact CG1-CD1 3.95Å; V159-I184 HydrophobicContact CG2-CD1 4.11Å; V159-L202 HydrophobicContact CG2-CD1 4.13Å; V159-L202 HydrophobicContact CG2-CD2 3.98Å
160	K	95	Very high	95.2	Very high	162 Å²	162	52.8 Å²	52.8	70%	0.704	26%	0.264	S	S	*	.			trans	-115.8	158.8	176.7	-62.7	-178.6	-177.8	178.6	0	110	G162 A163	K160-G162 PolarHBondContact O-N 3.16Å; K160-A163 WeakPolarHBondContact O-CB 3.18Å; K160-A163 PolarHBondContact O-N 3.31Å
161	K	96.9	Very high	95	Very high	167 Å²	167	58.7 Å²	58.7	73%	0.726	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	133.6	169.3	178.9	173.2	-177	177.4	0	110.2	A163 E177	K161-A163 VanDerWaalsContact C-N 3.32Å; K161-E177 VanDerWaalsContact CD-O 3.3Å; K161-E177 WeakPolarHBondContact CD-O 3.37Å; K161-E177 VanDerWaalsContact CE-O 3.24Å; K161-E177 WeakPolarHBondContact CE-O 3.44Å; K161-E177 WeakPolarHBondContact CG-O 3.39Å
162	G	96.8	Very high	95.2	Very high	44 Å²	44	55.7 Å²	55.7	45%	0.454	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	-4.3	-176.5	0	0	0	0	0	114.8	K160 A176	K160-G162 PolarHBondContact O-N 3.16Å; G162-A176 PolarHBondContact N-O 2.81Å
163	A	96	Very high	95.3	Very high	20 Å²	20	55.4 Å²	55.4	17%	0.165	28%	0.278	C	S	.	.			trans	-70.3	145	175.6	0	0	0	0	0	111.4	V159 K160 K161 V175 A176	V159-A163 HydrophobicContact CG1-CB 3.96Å; K160-A163 WeakPolarHBondContact O-CB 3.18Å; K160-A163 PolarHBondContact O-N 3.31Å; K161-A163 VanDerWaalsContact C-N 3.32Å; A163-V175 WeakPolarHBondContact O-CA 3.5Å; A163-A176 PolarHBondContact O-N 3.44Å
164	Y	96.3	Very high	95.5	Very high	92 Å²	92	51.1 Å²	51.1	36%	0.361	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	140	170.6	-77.2	-100	0	0	0	110.4	Y166 L174 V175 E189	Y164-Y166 HydrophobicContact CD1-CE2 4.32Å; Y164-Y166 HydrophobicContact CG-CE2 4.27Å; Y164-L174 CarbonylContact C-O 3.55Å; Y164-L174 WeakPolarHBondContact CA-O 3.37Å; Y164-V175 HydrophobicContact CD1-CG2 4.04Å; Y164-V175 HydrophobicContact CE1-CG2 3.8Å; Y164-V175 HydrophobicContact CE2-CG2 4.49Å; Y164-V175 HydrophobicContact CG-CG2 4.5Å; Y164-E189 WeakPolarHBondContact CE1-OE2 3.32Å; Y164-E189 PolarHBondContact OH-OE2 2.79Å
165	I	97.6	Very high	95.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.8	173	-55.2	173.8	0	0	0	106.6	L133 V159 L174 I184 V200 L202	L133-I165 HydrophobicContact CD1-CD1 3.45Å; L133-I165 VanDerWaalsContact CD1-CD1 3.45Å; L133-I165 HydrophobicContact CD1-CG2 3.97Å; V159-I165 HydrophobicContact CG1-CD1 4.14Å; I165-L174 HydrophobicContact CB-CB 4.24Å; I165-L174 PolarHBondContact N-O 3.07Å; I165-L174 PolarHBondContact O-N 3.21Å; I165-I184 HydrophobicContact CD1-CD1 4.44Å; I165-I184 HydrophobicContact CD1-CG2 4.48Å; I165-V200 HydrophobicContact CG2-CG1 3.65Å; I165-L202 HydrophobicContact CB-CD2 4.14Å; I165-L202 HydrophobicContact CD1-CD2 4.41Å; I165-L202 HydrophobicContact CG1-CD2 3.79Å; I165-L202 HydrophobicContact CG2-CD2 3.73Å
166	Y	97.4	Very high	95.8	Very high	59 Å²	59	50.4 Å²	50.4	23%	0.231	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	141.3	-177.5	-73.1	-83.4	0	0	0	109.9	Y164 I172 A173 V200 N201 P203 I290	Y164-Y166 HydrophobicContact CD1-CE2 4.32Å; Y164-Y166 HydrophobicContact CG-CE2 4.27Å; Y166-I172 CarbonylContact C-O 3.56Å; Y166-I172 WeakPolarHBondContact CA-O 3.03Å; Y166-A173 HydrophobicContact CD1-CB 4Å; Y166-A173 HydrophobicContact CE1-CB 3.78Å; Y166-V200 CarbonylContact O-C 3.53Å; Y166-V200 VanDerWaalsContact O-CA 3.27Å; Y166-V200 WeakPolarHBondContact O-CA 3.25Å; Y166-N201 PolarHBondContact N-O 3.4Å; Y166-N201 PolarHBondContact O-N 2.88Å; Y166-P203 HydrophobicContact CD2-CG 3.55Å; Y166-P203 HydrophobicContact CE2-CG 3.68Å; Y166-I290 HydrophobicContact CD1-CG2 4.4Å; Y166-I290 HydrophobicContact CD2-CG2 4.15Å; Y166-I290 HydrophobicContact CG-CG2 3.78Å
167	I	97	Very high	95.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	144.3	-179	-51.1	-178.5	0	0	0	109.1	T112 L148 L171 I172 L174 L194 K198 G199 V200	T112-I167 HydrophobicContact CG2-CG2 3.88Å; L148-I167 HydrophobicContact CD2-CD1 3.61Å; I167-L171 PolarHBondContact O-N 3.31Å; I167-I172 HydrophobicContact CB-CB 4.14Å; I167-I172 HydrophobicContact CB-CG2 4.3Å; I167-I172 PolarHBondContact N-O 3.12Å; I167-I172 PolarHBondContact O-N 3.29Å; I167-L174 HydrophobicContact CD1-CD1 3.64Å; I167-L174 HydrophobicContact CD1-CG 4.29Å; I167-L194 HydrophobicContact CG2-CD1 3.58Å; I167-K198 HydrophobicContact CG2-CB 4.08Å; I167-G199 WeakPolarHBondContact CA-O 3.28Å; I167-V200 HydrophobicContact CG1-CG2 4.31Å
168	D	93.1	Very high	96	Very high	20 Å²	20	47.1 Å²	47.1	11%	0.107	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	73.4	174.9	-159.4	19.7	0	0	0	112.4	G170 L171 K198 G199	D168-G170 PolarHBondContact O-N 3.43Å; D168-G170 VanDerWaalsContact O-N 3.13Å; D168-L171 VanDerWaalsContact O-CB 3.31Å; D168-L171 WeakPolarHBondContact O-CB 3.34Å; D168-L171 VanDerWaalsContact O-CG 3.28Å; D168-L171 WeakPolarHBondContact O-CG 3.42Å; D168-L171 PolarHBondContact O-N 3.43Å; D168-K198 HydrophobicContact CB-CB 4.03Å; D168-K198 HydrophobicContact CB-CD 4.44Å; D168-K198 HydrophobicContact CB-CG 4.05Å; D168-K198 VanDerWaalsContact OD1-CD 3.29Å; D168-K198 WeakPolarHBondContact OD1-CD 3.37Å; D168-K198 WeakPolarHBondContact OD1-CE 3.39Å; D168-K198 IonicContact OD1-NZ 2.85Å; D168-K198 PolarHBondContact OD1-NZ 2.89Å; D168-K198 WeakPolarHBondContact OD2-CE 3.38Å; D168-K198 IonicContact OD2-NZ 3.7Å; D168-K198 PolarHBondContact OD2-NZ 2.66Å; D168-G199 PolarHBondContact N-O 3.33Å
169	D	88.6	Confident	96.1	Very high	122 Å²	122	48.4 Å²	48.4	65%	0.652	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	29.5	-179.4	-56.5	-19.8	0	0	0	113.5	L171	D169-L171 VanDerWaalsContact C-N 3.25Å; D169-L171 PolarHBondContact O-N 2.86Å
170	G	92.2	Very high	96.1	Very high	21 Å²	21	52.3 Å²	52.3	22%	0.216	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	4.5	-180	0	0	0	0	0	115.4	D168 I172	D168-G170 PolarHBondContact O-N 3.43Å; D168-G170 VanDerWaalsContact O-N 3.13Å; G170-I172 VanDerWaalsContact C-N 3.35Å
171	L	93.9	Very high	95.9	Very high	124 Å²	124	51.4 Å²	51.4	65%	0.649	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-33.1	-178.3	-62.1	176.1	0	0	0	112.5	I167 D168 D169	I167-L171 PolarHBondContact O-N 3.31Å; D168-L171 VanDerWaalsContact O-CB 3.31Å; D168-L171 WeakPolarHBondContact O-CB 3.34Å; D168-L171 VanDerWaalsContact O-CG 3.28Å; D168-L171 WeakPolarHBondContact O-CG 3.42Å; D168-L171 PolarHBondContact O-N 3.43Å; D169-L171 VanDerWaalsContact C-N 3.25Å; D169-L171 PolarHBondContact O-N 2.86Å
172	I	97.3	Very high	95.7	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	131.3	175.4	-64.6	170.9	0	0	0	108.1	L125 Y166 I167 G170 L174 N190 L194	L125-I172 HydrophobicContact CD1-CD1 4.28Å; L125-I172 HydrophobicContact CD1-CG2 3.99Å; Y166-I172 CarbonylContact C-O 3.56Å; Y166-I172 WeakPolarHBondContact CA-O 3.03Å; I167-I172 HydrophobicContact CB-CB 4.14Å; I167-I172 HydrophobicContact CB-CG2 4.3Å; I167-I172 PolarHBondContact N-O 3.12Å; I167-I172 PolarHBondContact O-N 3.29Å; G170-I172 VanDerWaalsContact C-N 3.35Å; I172-L174 HydrophobicContact CG2-CD2 4.13Å; I172-N190 WeakPolarHBondContact CA-O 3.38Å; I172-L194 HydrophobicContact CD1-CB 3.77Å; I172-L194 HydrophobicContact CD1-CD1 4.12Å; I172-L194 HydrophobicContact CD1-CG 4.47Å
173	A	97.6	Very high	95.7	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.3	178.2	0	0	0	0	0	110.5	Y166 E189 N190	Y166-A173 HydrophobicContact CD1-CB 4Å; Y166-A173 HydrophobicContact CE1-CB 3.78Å; A173-E189 HydrophobicContact CB-CB 4.49Å; A173-E189 PolarHBondContact O-N 3.44Å; A173-N190 HydrophobicContact CB-CB 3.97Å; A173-N190 PolarHBondContact N-O 3.31Å; A173-N190 VanDerWaalsContact N-O 3.08Å; A173-N190 PolarHBondContact O-N 2.97Å; A173-N190 VanDerWaalsContact O-N 3.11Å
174	L	98.4	Very high	95.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	146.9	175.4	-49.2	-178.5	0	0	0	109.5	I131 L133 Y164 I165 I167 I172 C186 R187 I188	I131-L174 HydrophobicContact CG2-CD1 3.86Å; I131-L174 HydrophobicContact CG2-CD2 3.85Å; I131-L174 HydrophobicContact CG2-CG 4.46Å; L133-L174 HydrophobicContact CD1-CD1 4.26Å; L133-L174 HydrophobicContact CD2-CD1 3.92Å; L133-L174 HydrophobicContact CG-CD1 4.32Å; Y164-L174 CarbonylContact C-O 3.55Å; Y164-L174 WeakPolarHBondContact CA-O 3.37Å; I165-L174 HydrophobicContact CB-CB 4.24Å; I165-L174 PolarHBondContact N-O 3.07Å; I165-L174 PolarHBondContact O-N 3.21Å; I167-L174 HydrophobicContact CD1-CD1 3.64Å; I167-L174 HydrophobicContact CD1-CG 4.29Å; I172-L174 HydrophobicContact CG2-CD2 4.13Å; L174-C186 HydrophobicContact CB-CB 3.9Å; L174-C186 HydrophobicContact CD1-CB 4.34Å; L174-R187 WeakPolarHBondContact CA-O 3.46Å; L174-I188 HydrophobicContact CD2-CB 4.18Å; L174-I188 HydrophobicContact CD2-CG1 3.64Å; L174-I188 HydrophobicContact CD2-CG2 4.37Å
175	V	98.2	Very high	95.9	Very high	19 Å²	19	43.8 Å²	43.8	12%	0.115	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.4	171.2	-179.8	0	0	0	0	109.3	A163 Y164 E177 C186 R187 E189	A163-V175 WeakPolarHBondContact O-CA 3.5Å; Y164-V175 HydrophobicContact CD1-CG2 4.04Å; Y164-V175 HydrophobicContact CE1-CG2 3.8Å; Y164-V175 HydrophobicContact CE2-CG2 4.49Å; Y164-V175 HydrophobicContact CG-CG2 4.5Å; V175-E177 PolarHBondContact O-N 3.37Å; V175-C186 CarbonylContact O-C 3.54Å; V175-C186 WeakPolarHBondContact O-CA 3.48Å; V175-R187 PolarHBondContact N-O 3.23Å; V175-R187 PolarHBondContact O-N 3.47Å; V175-E189 HydrophobicContact CG2-CB 4.24Å; V175-E189 WeakPolarHBondContact CG2-OE2 3.28Å
176	A	98.2	Very high	96	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.008	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	114.3	178.8	0	0	0	0	0	111.1	V159 G162 A163 I184	V159-A176 HydrophobicContact CG1-CB 3.95Å; G162-A176 PolarHBondContact N-O 2.81Å; A163-A176 PolarHBondContact O-N 3.44Å; A176-I184 HydrophobicContact CB-CG2 3.67Å
177	E	98.2	Very high	96	Very high	62 Å²	62	44.3 Å²	44.3	29%	0.29	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-40.5	177.5	-66.7	-165.9	147.3	0	0	112.3	K130 K161 V175 V185 R187	K130-E177 WeakPolarHBondContact CE-OE2 3.14Å; K130-E177 IonicContact NZ-OE2 3.57Å; K130-E177 PolarHBondContact NZ-OE2 3.05Å; K161-E177 VanDerWaalsContact CD-O 3.3Å; K161-E177 WeakPolarHBondContact CD-O 3.37Å; K161-E177 VanDerWaalsContact CE-O 3.24Å; K161-E177 WeakPolarHBondContact CE-O 3.44Å; K161-E177 WeakPolarHBondContact CG-O 3.39Å; V175-E177 PolarHBondContact O-N 3.37Å; E177-V185 PolarHBondContact N-O 3.05Å; E177-R187 HydrophobicContact CG-CB 4.05Å
178	S	97.5	Very high	96.1	Very high	48 Å²	48	44.4 Å²	44.4	34%	0.336	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	147.9	174.7	64.6	0	0	0	0	111	I184 V185	S178-I184 CarbonylContact O-C 3.58Å; S178-I184 WeakPolarHBondContact O-CA 3.42Å; S178-V185 PolarHBondContact N-O 2.81Å; S178-V185 PolarHBondContact O-N 3.33Å; S178-V185 WeakPolarHBondContact OG-CB 3.49Å
179	V	97	Very high	96.3	Very high	48 Å²	48	45.7 Å²	45.7	29%	0.291	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	118.9	178.7	-178.7	0	0	0	0	107.2	T156 I184	T156-V179 HydrophobicContact CG2-CG1 4.35Å; T156-V179 VanDerWaalsContact O-CG1 3.28Å; T156-V179 WeakPolarHBondContact O-CG1 3.02Å; V179-I184 HydrophobicContact CG1-CG1 4.35Å; V179-I184 HydrophobicContact CG2-CG2 4.12Å
180	D	94.5	Very high	96.7	Very high	86 Å²	86	43.8 Å²	43.8	46%	0.46	24%	0.239	S	C	.	.			trans	-102.8	-175.8	171.9	-55.7	-48.2	0	0	0	109.6	T156 N182 S183	T156-D180 WeakPolarHBondContact CB-O 3.46Å; T156-D180 WeakPolarHBondContact CG2-O 3.49Å; D180-N182 PolarHBondContact O-N 3.36Å; D180-S183 PolarHBondContact N-O 2.94Å; D180-S183 PolarHBondContact OD2-OG 3.3Å
181	N	91.3	Very high	96.9	Very high	144 Å²	144	44.1 Å²	44.1	77%	0.77	24%	0.243	S	C	*	.	S	Bend	trans	-59.7	-43.1	-179	-70.9	-17.1	0	0	0	113.2	T156	T156-N181 WeakPolarHBondContact CB-O 3.4Å; T156-N181 PolarHBondContact OG1-O 3.23Å
182	N	93.2	Very high	97	Very high	105 Å²	105	39.6 Å²	39.6	56%	0.561	23%	0.225	S	C	*	.	S	Bend	trans	-124.9	7	-172.7	-67.5	-15.6	0	0	0	113.7	T134 V135 D180	T134-N182 PolarHBondContact OG1-O 3.24Å; V135-N182 HydrophobicContact CG2-CB 4.1Å; V135-N182 PolarHBondContact N-O 2.84Å; D180-N182 PolarHBondContact O-N 3.36Å
183	S	96.7	Very high	97	Very high	27 Å²	27	46.3 Å²	46.3	19%	0.189	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	153.7	-176	47.1	0	0	0	0	112.6	L133 D180	L133-S183 CarbonylContact O-C 3.43Å; L133-S183 WeakPolarHBondContact O-CA 3.29Å; L133-S183 WeakPolarHBondContact O-CB 3.45Å; D180-S183 PolarHBondContact N-O 2.94Å; D180-S183 PolarHBondContact OD2-OG 3.3Å
184	I	98.1	Very high	97	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	114.9	174.5	-51	174	0	0	0	106.9	T132 L133 I155 T156 V159 I165 A176 S178 V179	T132-I184 WeakPolarHBondContact CA-O 3.45Å; L133-I184 HydrophobicContact CB-CB 4.28Å; L133-I184 PolarHBondContact N-O 2.68Å; L133-I184 PolarHBondContact O-N 3.28Å; I155-I184 HydrophobicContact CD1-CD1 4.19Å; I155-I184 HydrophobicContact CG1-CD1 3.89Å; I155-I184 HydrophobicContact CG2-CD1 4.12Å; T156-I184 HydrophobicContact CG2-CD1 4.38Å; T156-I184 HydrophobicContact CG2-CG1 3.9Å; V159-I184 HydrophobicContact CB-CD1 3.83Å; V159-I184 HydrophobicContact CG1-CD1 3.95Å; V159-I184 HydrophobicContact CG2-CD1 4.11Å; I165-I184 HydrophobicContact CD1-CD1 4.44Å; I165-I184 HydrophobicContact CD1-CG2 4.48Å; A176-I184 HydrophobicContact CB-CG2 3.67Å; S178-I184 CarbonylContact O-C 3.58Å; S178-I184 WeakPolarHBondContact O-CA 3.42Å; V179-I184 HydrophobicContact CG1-CG1 4.35Å; V179-I184 HydrophobicContact CG2-CG2 4.12Å
185	V	98.4	Very high	96.8	Very high	29 Å²	29	46.6 Å²	46.6	18%	0.176	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	124	172.4	-177.3	0	0	0	0	107.5	K130 E177 S178	K130-V185 HydrophobicContact CD-CG1 4.16Å; E177-V185 PolarHBondContact N-O 3.05Å; S178-V185 PolarHBondContact N-O 2.81Å; S178-V185 PolarHBondContact O-N 3.33Å; S178-V185 WeakPolarHBondContact OG-CB 3.49Å
186	C	98.6	Very high	96.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	148.5	-177	-54.9	0	0	0	0	111.1	K130 I131 L174 V175	K130-C186 VanDerWaalsContact CA-O 3.31Å; K130-C186 WeakPolarHBondContact CA-O 3.32Å; I131-C186 HydrophobicContact CG2-CB 4.06Å; I131-C186 PolarHBondContact N-O 2.9Å; I131-C186 PolarHBondContact O-N 2.83Å; L174-C186 HydrophobicContact CB-CB 3.9Å; L174-C186 HydrophobicContact CD1-CB 4.34Å; V175-C186 CarbonylContact O-C 3.54Å; V175-C186 WeakPolarHBondContact O-CA 3.48Å
187	R	98.5	Very high	96.4	Very high	70 Å²	70	50.5 Å²	50.5	26%	0.264	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	134.5	162.4	-177	178.3	61.2	79.8	12.4	108.8	D128 L174 V175 E177 E189	D128-R187 IonicContact OD1-NH1 3.11Å; D128-R187 PolarHBondContact OD1-NH1 2.93Å; D128-R187 VanDerWaalsContact OD1-NH1 3.11Å; L174-R187 WeakPolarHBondContact CA-O 3.46Å; V175-R187 PolarHBondContact N-O 3.23Å; V175-R187 PolarHBondContact O-N 3.47Å; E177-R187 HydrophobicContact CG-CB 4.05Å; R187-E189 IonicContact NH2-OE2 3.87Å; R187-E189 PolarHBondContact O-N 3.2Å
188	I	98.5	Very high	96.2	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	111.9	173.9	-62.5	158.4	0	0	0	107.8	L125 K126 D128 N129 I131 L174	L125-I188 HydrophobicContact CB-CD1 3.96Å; L125-I188 HydrophobicContact CB-CG2 4.38Å; L125-I188 HydrophobicContact CD2-CD1 4.35Å; K126-I188 WeakPolarHBondContact O-CB 3.48Å; K126-I188 WeakPolarHBondContact O-CD1 3.26Å; K126-I188 WeakPolarHBondContact O-CG2 3.34Å; D128-I188 PolarHBondContact N-O 3.24Å; N129-I188 HydrophobicContact CB-CD1 3.99Å; N129-I188 PolarHBondContact O-N 3.38Å; I131-I188 HydrophobicContact CB-CD1 4.28Å; I131-I188 HydrophobicContact CB-CG1 4.37Å; I131-I188 HydrophobicContact CG2-CD1 4.33Å; I131-I188 HydrophobicContact CG2-CG1 3.88Å; L174-I188 HydrophobicContact CD2-CB 4.18Å; L174-I188 HydrophobicContact CD2-CG1 3.64Å; L174-I188 HydrophobicContact CD2-CG2 4.37Å
189	E	97.6	Very high	95.9	Very high	47 Å²	47	49.1 Å²	49.1	22%	0.22	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-51.3	177.3	-179.1	171.5	156.1	0	0	111.4	K127 Y164 A173 V175 R187	K127-E189 WeakPolarHBondContact CD-O 3.36Å; K127-E189 WeakPolarHBondContact CG-O 3.36Å; Y164-E189 WeakPolarHBondContact CE1-OE2 3.32Å; Y164-E189 PolarHBondContact OH-OE2 2.79Å; A173-E189 HydrophobicContact CB-CB 4.49Å; A173-E189 PolarHBondContact O-N 3.44Å; V175-E189 HydrophobicContact CG2-CB 4.24Å; V175-E189 WeakPolarHBondContact CG2-OE2 3.28Å; R187-E189 IonicContact NH2-OE2 3.87Å; R187-E189 PolarHBondContact O-N 3.2Å
190	N	96.9	Very high	95.9	Very high	83 Å²	83	47.1 Å²	47.1	44%	0.444	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	113.1	169.5	-72.8	-25.8	0	0	0	108.3	I172 A173	I172-N190 WeakPolarHBondContact CA-O 3.38Å; A173-N190 HydrophobicContact CB-CB 3.97Å; A173-N190 PolarHBondContact N-O 3.31Å; A173-N190 VanDerWaalsContact N-O 3.08Å; A173-N190 PolarHBondContact O-N 2.97Å; A173-N190 VanDerWaalsContact O-N 3.11Å
191	G	96.5	Very high	95.9	Very high	28 Å²	28	43.4 Å²	43.4	29%	0.289	24%	0.239	S	C	.	.			trans	-78.3	-178.2	174.1	0	0	0	0	0	112.4	L125	L125-G191 CarbonylContact O-C 3.59Å; L125-G191 WeakPolarHBondContact O-CA 3.33Å
192	G	96.5	Very high	96.1	Very high	28 Å²	28	36.6 Å²	36.6	29%	0.289	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	162.2	179.7	-179.7	0	0	0	0	0	111.9	L125	L125-G192 PolarHBondContact N-O 2.82Å; L125-G192 PolarHBondContact O-N 3.11Å
193	K	96.3	Very high	96	Very high	144 Å²	144	32.2 Å²	32.2	63%	0.626	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	122.9	170.4	-67.1	-175.2	170.2	-162.8	0	109	E122 I123	E122-K193 IonicContact OE2-NZ 3.06Å; I123-K193 CarbonylContact O-C 3.39Å; I123-K193 WeakPolarHBondContact O-CA 3.32Å
194	L	97.1	Very high	95.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128.2	174.7	177.1	61.3	0	0	0	109.4	L115 E122 I123 L125 L148 I167 I172 K198	L115-L194 VanDerWaalsContact CD1-O 3.26Å; L115-L194 WeakPolarHBondContact CD1-O 3.43Å; E122-L194 WeakPolarHBondContact CA-O 3.3Å; I123-L194 HydrophobicContact CD1-CD2 4.23Å; I123-L194 HydrophobicContact CG1-CB 3.98Å; I123-L194 HydrophobicContact CG1-CG 4.47Å; I123-L194 PolarHBondContact N-O 2.88Å; I123-L194 PolarHBondContact O-N 3.38Å; L125-L194 HydrophobicContact CD1-CB 4.3Å; L125-L194 HydrophobicContact CD1-CD2 3.93Å; L125-L194 HydrophobicContact CG-CB 4.28Å; L125-L194 HydrophobicContact CG-CD2 4.5Å; L148-L194 HydrophobicContact CD1-CD2 3.91Å; L148-L194 HydrophobicContact CD2-CD2 3.74Å; L148-L194 HydrophobicContact CG-CD2 4.49Å; I167-L194 HydrophobicContact CG2-CD1 3.58Å; I172-L194 HydrophobicContact CD1-CB 3.77Å; I172-L194 HydrophobicContact CD1-CD1 4.12Å; I172-L194 HydrophobicContact CD1-CG 4.47Å; L194-K198 HydrophobicContact CD1-CB 4.07Å; L194-K198 HydrophobicContact CD1-CG 3.79Å
195	G	95.8	Very high	95.1	Very high	7 Å²	7	38.6 Å²	38.6	7%	0.072	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-174.5	169	0	0	0	0	0	113.1
196	S	94.6	Very high	94.5	Very high	15 Å²	15	45.2 Å²	45.2	11%	0.105	24%	0.236	C	C	.	.	S	Bend	trans	-80.2	153.6	174.5	-65	0	0	0	0	112.6	L115 G118 P119 K198	L115-S196 PolarHBondContact N-OG 3.39Å; G118-S196 PolarHBondContact O-OG 2.96Å; G118-S196 VanDerWaalsContact O-OG 3.07Å; P119-S196 WeakPolarHBondContact O-CB 3.36Å; S196-K198 VanDerWaalsContact C-N 3.26Å; S196-K198 PolarHBondContact O-N 3.17Å
197	L	92.5	Very high	94	Very high	87 Å²	87	46.6 Å²	46.6	46%	0.455	24%	0.244	S	C	.	.	S	Bend	trans	57.2	32.4	169.8	-54.3	173.3	0	0	0	114.9	R111 T112 G113 I114	R111-L197 PolarHBondContact NH1-O 3.46Å; T112-L197 WeakPolarHBondContact O-CA 3.37Å; T112-L197 PolarHBondContact OG1-N 3.4Å; G113-L197 PolarHBondContact O-N 3.28Å; G113-L197 VanDerWaalsContact O-N 3.12Å; I114-L197 HydrophobicContact CG1-CD2 4.13Å; I114-L197 HydrophobicContact CG1-CG 4.32Å
198	K	93.3	Very high	93.6	Very high	59 Å²	59	47.7 Å²	47.7	26%	0.257	26%	0.255	S	S	.	.			trans	-77.9	149.5	179.5	-61	-49.8	-165.3	120.6	0	111.4	R111 T112 I167 D168 L194 S196	R111-K198 CarbonylContact C-O 3.59Å; R111-K198 VanDerWaalsContact CA-O 3.26Å; R111-K198 WeakPolarHBondContact CA-O 3.49Å; T112-K198 PolarHBondContact N-O 3.35Å; T112-K198 PolarHBondContact OG1-N 2.94Å; I167-K198 HydrophobicContact CG2-CB 4.08Å; D168-K198 HydrophobicContact CB-CB 4.03Å; D168-K198 HydrophobicContact CB-CD 4.44Å; D168-K198 HydrophobicContact CB-CG 4.05Å; D168-K198 VanDerWaalsContact OD1-CD 3.29Å; D168-K198 WeakPolarHBondContact OD1-CD 3.37Å; D168-K198 WeakPolarHBondContact OD1-CE 3.39Å; D168-K198 IonicContact OD1-NZ 2.85Å; D168-K198 PolarHBondContact OD1-NZ 2.89Å; D168-K198 WeakPolarHBondContact OD2-CE 3.38Å; D168-K198 IonicContact OD2-NZ 3.7Å; D168-K198 PolarHBondContact OD2-NZ 2.66Å; L194-K198 HydrophobicContact CD1-CB 4.07Å; L194-K198 HydrophobicContact CD1-CG 3.79Å; S196-K198 VanDerWaalsContact C-N 3.26Å; S196-K198 PolarHBondContact O-N 3.17Å
199	G	92.8	Very high	93.1	Very high	21 Å²	21	49.4 Å²	49.4	22%	0.216	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	145.9	176.4	0	0	0	0	0	111.5	I110 I167 D168	I110-G199 CarbonylContact O-C 3.56Å; I110-G199 WeakPolarHBondContact O-CA 3.49Å; I167-G199 WeakPolarHBondContact CA-O 3.28Å; D168-G199 PolarHBondContact N-O 3.33Å
200	V	96.2	Very high	92.6	Very high	6 Å²	6	51.1 Å²	51.1	4%	0.036	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.6	174.3	-178	0	0	0	0	108.7	I110 T112 V150 I165 Y166 I167 L202	I110-V200 HydrophobicContact CB-CB 3.99Å; I110-V200 HydrophobicContact CG2-CB 3.8Å; I110-V200 HydrophobicContact CG2-CG1 4.31Å; I110-V200 HydrophobicContact CG2-CG2 4.31Å; I110-V200 PolarHBondContact O-N 3.39Å; T112-V200 HydrophobicContact CG2-CG2 3.67Å; V150-V200 HydrophobicContact CG1-CG2 4.23Å; I165-V200 HydrophobicContact CG2-CG1 3.65Å; Y166-V200 CarbonylContact O-C 3.53Å; Y166-V200 VanDerWaalsContact O-CA 3.27Å; Y166-V200 WeakPolarHBondContact O-CA 3.25Å; I167-V200 HydrophobicContact CG1-CG2 4.31Å; V200-L202 HydrophobicContact CG1-CD2 4.19Å
201	N	94.7	Very high	91.9	Very high	8 Å²	8	48.1 Å²	48.1	4%	0.043	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	142.6	179.6	-65.5	86.5	0	0	0	109.2	Y166 P203 D287 I290 E291	Y166-N201 PolarHBondContact N-O 3.4Å; Y166-N201 PolarHBondContact O-N 2.88Å; N201-P203 WeakPolarHBondContact O-CD 3.29Å; N201-D287 PolarHBondContact ND2-OD1 3.27Å; N201-I290 HydrophobicContact CB-CB 4.41Å; N201-I290 HydrophobicContact CB-CG2 3.54Å; N201-E291 VanDerWaalsContact CB-OE1 3.28Å; N201-E291 WeakPolarHBondContact CB-OE1 3.25Å; N201-E291 PolarHBondContact ND2-OE1 3.44Å
202	L	94.6	Very high	91.6	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	26%	0.26	C	S	.	.			trans	-128.4	71	-173.1	-58.9	177.4	0	0	0	110.1	I110 Y152 I155 V158 V159 I165 V200 H204 S205 V207 E291	I110-L202 HydrophobicContact CD1-CD1 3.49Å; I110-L202 VanDerWaalsContact CD1-CD1 3.49Å; I110-L202 HydrophobicContact CD1-CG 4Å; Y152-L202 HydrophobicContact CD1-CD1 4.02Å; Y152-L202 HydrophobicContact CE1-CD1 4.09Å; I155-L202 HydrophobicContact CD1-CD1 4.1Å; I155-L202 HydrophobicContact CD1-CD2 4.2Å; I155-L202 HydrophobicContact CG1-CD1 3.91Å; V158-L202 HydrophobicContact CG2-CD1 4.45Å; V159-L202 HydrophobicContact CG2-CD1 4.13Å; V159-L202 HydrophobicContact CG2-CD2 3.98Å; I165-L202 HydrophobicContact CB-CD2 4.14Å; I165-L202 HydrophobicContact CD1-CD2 4.41Å; I165-L202 HydrophobicContact CG1-CD2 3.79Å; I165-L202 HydrophobicContact CG2-CD2 3.73Å; V200-L202 HydrophobicContact CG1-CD2 4.19Å; L202-H204 PolarHBondContact O-N 2.85Å; L202-S205 WeakPolarHBondContact O-CB 3.45Å; L202-S205 PolarHBondContact O-N 2.99Å; L202-S205 VanDerWaalsContact O-N 3.07Å; L202-V207 HydrophobicContact CB-CG2 4.21Å; L202-V207 HydrophobicContact CD1-CG2 4.18Å; L202-E291 PolarHBondContact N-OE1 3.41Å
203	P	91.2	Very high	91.3	Very high	13 Å²	13	48.8 Å²	48.8	8%	0.084	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	138.8	-175.9	-25.9	37	0	0	0	111.4	Y166 N201 S205 I290	Y166-P203 HydrophobicContact CD2-CG 3.55Å; Y166-P203 HydrophobicContact CE2-CG 3.68Å; N201-P203 WeakPolarHBondContact O-CD 3.29Å; P203-S205 PolarHBondContact O-N 3.09Å; P203-S205 VanDerWaalsContact O-N 3.09Å; P203-I290 VanDerWaalsContact CG-O 3.3Å; P203-I290 WeakPolarHBondContact CG-O 3.27Å
204	H	86.3	Confident	91.1	Very high	140 Å²	140	49.6 Å²	49.6	65%	0.648	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	-1.3	-178.2	-50	-70.8	0	0	0	116.2	L202 H265	L202-H204 PolarHBondContact O-N 2.85Å; H204-H265 AromaticContact CE1-ND1 3.75Å; H204-H265 AromaticContact ND1-ND1 3.87Å
205	S	89.4	Confident	90.7	Very high	22 Å²	22	53.1 Å²	53.1	15%	0.154	28%	0.281	C	S	.	.	S	Bend	trans	-84.1	137.5	169.3	-77	0	0	0	0	110.4	V158 L202 P203 V207	V158-S205 PolarHBondContact O-OG 3.19Å; L202-S205 WeakPolarHBondContact O-CB 3.45Å; L202-S205 PolarHBondContact O-N 2.99Å; L202-S205 VanDerWaalsContact O-N 3.07Å; P203-S205 PolarHBondContact O-N 3.09Å; P203-S205 VanDerWaalsContact O-N 3.09Å; S205-V207 VanDerWaalsContact C-N 3.27Å; S205-V207 PolarHBondContact O-N 3.28Å
206	K	86.2	Confident	90.6	Very high	168 Å²	168	52.9 Å²	52.9	73%	0.73	28%	0.278	S	S	*	.			trans	-78.5	80.8	170.9	-70.2	-170.3	176	-169.3	0	109.3	V158 D208	V158-K206 WeakPolarHBondContact CG1-O 3.35Å; K206-D208 PolarHBondContact O-N 2.8Å
207	V	88.4	Confident	90.7	Very high	30 Å²	30	56.1 Å²	56.1	18%	0.182	29%	0.294	C	S	.	.			trans	-60.2	126.1	174	-180	0	0	0	0	108	I110 Y152 L202 S205 L209 R237	I110-V207 HydrophobicContact CD1-CG1 4.4Å; I110-V207 HydrophobicContact CD1-CG2 4.48Å; Y152-V207 HydrophobicContact CE1-CG1 4.18Å; L202-V207 HydrophobicContact CB-CG2 4.21Å; L202-V207 HydrophobicContact CD1-CG2 4.18Å; S205-V207 VanDerWaalsContact C-N 3.27Å; S205-V207 PolarHBondContact O-N 3.28Å; V207-L209 HydrophobicContact CG1-CB 4.06Å; V207-L209 HydrophobicContact CG1-CD1 3.88Å; V207-L209 HydrophobicContact CG1-CG 3.83Å; V207-R237 PolarHBondContact O-NH1 2.86Å
208	D	89.8	Confident	90.9	Very high	92 Å²	92	57.6 Å²	57.6	49%	0.492	30%	0.298	S	S	.	.			trans	-107.5	21.6	-175.4	70.2	-15.8	0	0	0	113.3	Y152 N154 K206	Y152-D208 WeakPolarHBondContact CE2-OD1 3.41Å; Y152-D208 PolarHBondContact OH-N 3.05Å; Y152-D208 VanDerWaalsContact OH-N 3.12Å; Y152-D208 PolarHBondContact OH-OD1 3.22Å; N154-D208 VanDerWaalsContact ND2-CG 3.32Å; N154-D208 PolarHBondContact ND2-OD1 3.24Å; N154-D208 PolarHBondContact ND2-OD2 3.45Å; K206-D208 PolarHBondContact O-N 2.8Å
209	L	88.9	Confident	91	Very high	38 Å²	38	54.9 Å²	54.9	20%	0.199	29%	0.286	C	S	.	.			trans	-59.3	141	169.8	-71.8	173.8	0	0	0	110.5	P108 I110 Y152 V207 R237	P108-L209 HydrophobicContact CB-CB 3.56Å; P108-L209 HydrophobicContact CB-CD1 3.89Å; P108-L209 HydrophobicContact CB-CG 4.37Å; P108-L209 VanDerWaalsContact O-CD1 3.29Å; P108-L209 WeakPolarHBondContact O-CD1 3.49Å; I110-L209 HydrophobicContact CG1-CD1 3.88Å; Y152-L209 HydrophobicContact CD2-CD1 4.33Å; Y152-L209 HydrophobicContact CD2-CD2 3.63Å; Y152-L209 HydrophobicContact CD2-CG 3.86Å; Y152-L209 HydrophobicContact CE2-CD2 3.88Å; Y152-L209 HydrophobicContact CE2-CG 3.85Å; V207-L209 HydrophobicContact CG1-CB 4.06Å; V207-L209 HydrophobicContact CG1-CD1 3.88Å; V207-L209 HydrophobicContact CG1-CG 3.83Å; L209-R237 PolarHBondContact O-NH1 2.99Å; L209-R237 PolarHBondContact O-NH2 2.94Å
210	P	87.4	Confident	91.3	Very high	83 Å²	83	54 Å²	54	54%	0.539	28%	0.277	S	S	.	.			trans	-62.7	149.6	177.5	28.5	-35.2	0	0	0	110.4	L212	P210-L212 PolarHBondContact O-N 3.3Å
211	A	81.3	Confident	91.4	Very high	21 Å²	21	60.1 Å²	60.1	17%	0.174	30%	0.303	C	S	.	.	S	Bend	trans	-58.4	-30	176.4	0	0	0	0	0	113	D241	A211-D241 HydrophobicContact CB-CB 3.84Å; A211-D241 WeakPolarHBondContact CB-OD1 3.43Å
212	L	90.3	Very high	91.5	Very high	30 Å²	30	60.3 Å²	60.3	16%	0.157	30%	0.303	C	S	.	.	S	Bend	trans	-130.6	120	179.7	-67.6	173.3	0	0	0	110.2	P210 D216 L217 L220 I245 A248	P210-L212 PolarHBondContact O-N 3.3Å; L212-D216 HydrophobicContact CB-CB 4.47Å; L212-D216 HydrophobicContact CD2-CB 3.75Å; L212-L217 HydrophobicContact CB-CD2 4.41Å; L212-L217 HydrophobicContact CD1-CD2 4.06Å; L212-L220 HydrophobicContact CD1-CD1 4.12Å; L212-L220 HydrophobicContact CD2-CD1 3.75Å; L212-I245 HydrophobicContact CD1-CG1 4.29Å; L212-I245 HydrophobicContact CD2-CG1 3.85Å; L212-I245 HydrophobicContact CG-CG1 4.27Å; L212-A248 HydrophobicContact CD1-CB 3.74Å
213	S	90.4	Very high	91.7	Very high	40 Å²	40	60.2 Å²	60.2	28%	0.28	30%	0.303	S	S	.	.			trans	-78.2	169.6	166.3	72.4	0	0	0	0	111.2	K215 D216 L217	S213-K215 PolarHBondContact O-N 3Å; S213-K215 PolarHBondContact OG-N 3.11Å; S213-D216 VanDerWaalsContact CB-OD2 3.26Å; S213-D216 WeakPolarHBondContact CB-OD2 3.28Å; S213-D216 PolarHBondContact N-OD2 3.2Å; S213-D216 PolarHBondContact O-N 3.26Å; S213-D216 VanDerWaalsContact OG-CG 3.24Å; S213-D216 PolarHBondContact OG-N 3.03Å; S213-D216 VanDerWaalsContact OG-N 3.1Å; S213-D216 PolarHBondContact OG-OD2 3.38Å; S213-L217 WeakPolarHBondContact O-CG 3.46Å; S213-L217 PolarHBondContact O-N 3.05Å
214	Q	91.3	Very high	92	Very high	160 Å²	160	60.9 Å²	60.9	75%	0.748	31%	0.307	S	S	*	.	H	α-helix	trans	-58.7	-34.1	170.8	-74.7	-173.8	-11.8	0	0	112.5	L217 Q218	Q214-L217 PolarHBondContact O-N 3.41Å; Q214-Q218 WeakPolarHBondContact O-CG 3.49Å; Q214-Q218 PolarHBondContact O-N 3.44Å
215	K	89.7	Confident	92.6	Very high	75 Å²	75	59 Å²	59	33%	0.326	30%	0.301	S	S	.	.	H	α-helix	trans	-66.6	-45.5	175.2	-175.6	-176.7	177.9	-65.7	0	110.6	F71 K106 S213 L217 Q218 D219	F71-K215 PolarHBondContact O-NZ 3.32Å; K106-K215 HydrophobicContact CD-CD 4.08Å; S213-K215 PolarHBondContact O-N 3Å; S213-K215 PolarHBondContact OG-N 3.11Å; K215-L217 VanDerWaalsContact C-N 3.25Å; K215-L217 PolarHBondContact O-N 3.17Å; K215-Q218 WeakPolarHBondContact O-CB 3.45Å; K215-Q218 PolarHBondContact O-N 3.29Å; K215-D219 IonicContact NZ-OD1 3.05Å; K215-D219 IonicContact NZ-OD2 2.98Å; K215-D219 PolarHBondContact NZ-OD2 2.84Å; K215-D219 PolarHBondContact O-N 3.26Å
216	D	93.7	Very high	93	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-60.7	-37.4	178.4	-57.8	-56	0	0	0	111.1	G107 L212 S213 Q218 D219 L220	G107-D216 PolarHBondContact N-OD1 3.48Å; L212-D216 HydrophobicContact CB-CB 4.47Å; L212-D216 HydrophobicContact CD2-CB 3.75Å; S213-D216 VanDerWaalsContact CB-OD2 3.26Å; S213-D216 WeakPolarHBondContact CB-OD2 3.28Å; S213-D216 PolarHBondContact N-OD2 3.2Å; S213-D216 PolarHBondContact O-N 3.26Å; S213-D216 VanDerWaalsContact OG-CG 3.24Å; S213-D216 PolarHBondContact OG-N 3.03Å; S213-D216 VanDerWaalsContact OG-N 3.1Å; S213-D216 PolarHBondContact OG-OD2 3.38Å; D216-Q218 VanDerWaalsContact C-N 3.33Å; D216-Q218 PolarHBondContact O-N 3.25Å; D216-D219 PolarHBondContact O-N 3.24Å; D216-L220 WeakPolarHBondContact O-CB 3.08Å; D216-L220 VanDerWaalsContact O-CG 3.24Å; D216-L220 WeakPolarHBondContact O-CG 3.37Å; D216-L220 PolarHBondContact O-N 2.79Å
217	L	96.1	Very high	93.5	Very high	84 Å²	84	58.6 Å²	58.6	44%	0.44	30%	0.3	S	S	.	.	H	α-helix	trans	-61.3	-39.6	173.8	-68.1	173.6	0	0	0	112.8	L212 S213 Q214 K215 K221 A248	L212-L217 HydrophobicContact CB-CD2 4.41Å; L212-L217 HydrophobicContact CD1-CD2 4.06Å; S213-L217 WeakPolarHBondContact O-CG 3.46Å; S213-L217 PolarHBondContact O-N 3.05Å; Q214-L217 PolarHBondContact O-N 3.41Å; K215-L217 VanDerWaalsContact C-N 3.25Å; K215-L217 PolarHBondContact O-N 3.17Å; L217-K221 PolarHBondContact O-N 3.22Å; L217-A248 HydrophobicContact CD2-CB 3.73Å
218	Q	96.3	Very high	93.9	Very high	117 Å²	117	57.3 Å²	57.3	55%	0.547	29%	0.292	S	S	.	.	H	α-helix	trans	-69	-39.4	175.3	-67	176	7	0	0	111.6	Q214 K215 D216 K221 F222	Q214-Q218 WeakPolarHBondContact O-CG 3.49Å; Q214-Q218 PolarHBondContact O-N 3.44Å; K215-Q218 WeakPolarHBondContact O-CB 3.45Å; K215-Q218 PolarHBondContact O-N 3.29Å; D216-Q218 VanDerWaalsContact C-N 3.33Å; D216-Q218 PolarHBondContact O-N 3.25Å; Q218-K221 WeakPolarHBondContact O-CB 3.22Å; Q218-K221 PolarHBondContact O-N 3.41Å; Q218-F222 PolarHBondContact O-N 3.11Å
219	D	97	Very high	94.3	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.011	27%	0.27	C	S	.	.	H	α-helix	trans	-66.7	-39.9	177.5	-63.1	-16.8	0	0	0	111.4	F71 H76 L103 K215 D216 K221 F222 A223	F71-D219 HydrophobicContact CD1-CB 3.73Å; F71-D219 WeakPolarHBondContact CD1-OD1 3.16Å; F71-D219 HydrophobicContact CE1-CB 4.16Å; H76-D219 IonicContact CD2-OD1 2.82Å; H76-D219 IonicContact CE1-OD1 3.21Å; H76-D219 IonicContact NE2-OD1 3.92Å; H76-D219 PolarHBondContact NE2-OD1 3.35Å; L103-D219 WeakPolarHBondContact CD1-O 3.34Å; K215-D219 IonicContact NZ-OD1 3.05Å; K215-D219 IonicContact NZ-OD2 2.98Å; K215-D219 PolarHBondContact NZ-OD2 2.84Å; K215-D219 PolarHBondContact O-N 3.26Å; D216-D219 PolarHBondContact O-N 3.24Å; D219-K221 VanDerWaalsContact C-N 3.34Å; D219-F222 WeakPolarHBondContact O-CB 3.41Å; D219-F222 PolarHBondContact O-N 3.43Å; D219-A223 PolarHBondContact O-N 3.41Å
220	L	97.7	Very high	94.8	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-65.6	-37.6	173.4	-69.7	179.5	0	0	0	111.7	T105 L212 D216 A223 V224 I231 I245 A248 L249	T105-L220 HydrophobicContact CG2-CD2 4.45Å; L212-L220 HydrophobicContact CD1-CD1 4.12Å; L212-L220 HydrophobicContact CD2-CD1 3.75Å; D216-L220 WeakPolarHBondContact O-CB 3.08Å; D216-L220 VanDerWaalsContact O-CG 3.24Å; D216-L220 WeakPolarHBondContact O-CG 3.37Å; D216-L220 PolarHBondContact O-N 2.79Å; L220-A223 VanDerWaalsContact O-CB 3.26Å; L220-A223 WeakPolarHBondContact O-CB 3.48Å; L220-A223 PolarHBondContact O-N 3.09Å; L220-V224 WeakPolarHBondContact O-CG2 3.48Å; L220-V224 PolarHBondContact O-N 2.86Å; L220-V224 VanDerWaalsContact O-N 3.09Å; L220-I231 HydrophobicContact CD2-CD1 3.83Å; L220-I231 HydrophobicContact CD2-CG1 3.89Å; L220-I231 HydrophobicContact CD2-CG2 3.89Å; L220-I245 HydrophobicContact CD1-CG2 4.19Å; L220-I245 HydrophobicContact CD2-CG2 4.19Å; L220-A248 HydrophobicContact CD1-CB 3.71Å; L220-L249 HydrophobicContact CB-CD2 4.22Å; L220-L249 HydrophobicContact CD2-CD2 4.04Å
221	K	97.9	Very high	95.3	Very high	135 Å²	135	47.5 Å²	47.5	59%	0.587	24%	0.235	S	C	*	.	H	α-helix	trans	-62.3	-44.8	172.2	-176.2	-178.5	175.7	-174.3	0	111.2	L217 Q218 D219 A223 V224 D225	L217-K221 PolarHBondContact O-N 3.22Å; Q218-K221 WeakPolarHBondContact O-CB 3.22Å; Q218-K221 PolarHBondContact O-N 3.41Å; D219-K221 VanDerWaalsContact C-N 3.34Å; K221-A223 PolarHBondContact O-N 2.91Å; K221-V224 PolarHBondContact O-N 2.65Å; K221-V224 VanDerWaalsContact O-N 3.14Å; K221-D225 PolarHBondContact O-N 3.18Å
222	F	98.3	Very high	96.2	Very high	12 Å²	12	46.5 Å²	46.5	5%	0.053	23%	0.227	C	C	.	.	H	α-helix	trans	-54.7	-41.9	172.6	175.3	-79.7	0	0	0	111.2	F71 H76 H79 H80 L83 L103 Q218 D219 V224 D225 H226	F71-F222 HydrophobicContact CE1-CD1 4.01Å; F71-F222 HydrophobicContact CE1-CE1 4.47Å; F71-F222 HydrophobicContact CE1-CG 4.27Å; F71-F222 AromaticContact CZ-CD1 3.54Å; F71-F222 HydrophobicContact CZ-CD1 3.54Å; F71-F222 AromaticContact CZ-CE1 3.64Å; F71-F222 HydrophobicContact CZ-CE1 3.64Å; F71-F222 HydrophobicContact CZ-CG 4.21Å; F71-F222 HydrophobicContact CZ-CZ 4.32Å; H76-F222 HydrophobicContact CB-CD2 3.79Å; H76-F222 HydrophobicContact CB-CE2 4Å; H76-F222 AromaticContact CG-CD2 3.76Å; H76-F222 AromaticContact ND1-CD2 3.98Å; H76-F222 WeakPolarHBondContact O-CE2 3.36Å; H79-F222 HydrophobicContact CB-CE1 4.37Å; H79-F222 HydrophobicContact CB-CZ 4Å; H80-F222 HydrophobicContact CB-CE2 4.23Å; H80-F222 HydrophobicContact CB-CZ 4.36Å; L83-F222 HydrophobicContact CD1-CE1 4.09Å; L83-F222 HydrophobicContact CD1-CZ 3.97Å; L103-F222 HydrophobicContact CD1-CD1 4.12Å; Q218-F222 PolarHBondContact O-N 3.11Å; D219-F222 WeakPolarHBondContact O-CB 3.41Å; D219-F222 PolarHBondContact O-N 3.43Å; F222-V224 VanDerWaalsContact C-N 3.34Å; F222-V224 PolarHBondContact O-N 3.41Å; F222-D225 PolarHBondContact O-N 3.35Å; F222-H226 AromaticContact CD1-ND1 3.83Å; F222-H226 AromaticContact CD2-CE1 3.45Å; F222-H226 VanDerWaalsContact CD2-CE1 3.45Å; F222-H226 WeakPolarHBondContact CD2-CE1 3.32Å; F222-H226 AromaticContact CD2-ND1 3.53Å; F222-H226 HydrophobicContact CE1-CB 4.36Å; F222-H226 AromaticContact CE1-ND1 3.74Å; F222-H226 AromaticContact CE2-CE1 3.19Å; F222-H226 WeakPolarHBondContact CE2-CE1 3.45Å; F222-H226 AromaticContact CE2-ND1 3.46Å; F222-H226 WeakPolarHBondContact CE2-ND1 3.3Å; F222-H226 AromaticContact CE2-NE2 3.81Å; F222-H226 AromaticContact CG-ND1 3.71Å; F222-H226 AromaticContact CZ-CE1 3.65Å; F222-H226 AromaticContact CZ-CG 3.89Å; F222-H226 AromaticContact CZ-ND1 3.56Å; F222-H226 WeakPolarHBondContact O-CB 3.45Å; F222-H226 PolarHBondContact O-N 3.37Å; F222-H226 PolarHBondContact O-ND1 3.26Å
223	A	98.4	Very high	96.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-43.1	178.3	0	0	0	0	0	112.7	L103 D219 L220 K221 E227 I228 I231	L103-A223 HydrophobicContact CD1-CB 4.01Å; D219-A223 PolarHBondContact O-N 3.41Å; L220-A223 VanDerWaalsContact O-CB 3.26Å; L220-A223 WeakPolarHBondContact O-CB 3.48Å; L220-A223 PolarHBondContact O-N 3.09Å; K221-A223 PolarHBondContact O-N 2.91Å; A223-E227 PolarHBondContact O-N 3.32Å; A223-E227 VanDerWaalsContact O-N 3.16Å; A223-I228 HydrophobicContact CB-CB 4.04Å; A223-I228 HydrophobicContact CB-CG1 4.08Å; A223-I228 PolarHBondContact O-N 2.92Å; A223-I231 HydrophobicContact CB-CD1 3.59Å
224	V	98.3	Very high	96.8	Very high	26 Å²	26	43.6 Å²	43.6	16%	0.158	21%	0.209	C	C	.	.	H	α-helix	trans	-66.7	-46.7	177.3	174.7	0	0	0	0	110.8	L220 K221 F222 H226 E227 L249 K252 I256	L220-V224 WeakPolarHBondContact O-CG2 3.48Å; L220-V224 PolarHBondContact O-N 2.86Å; L220-V224 VanDerWaalsContact O-N 3.09Å; K221-V224 PolarHBondContact O-N 2.65Å; K221-V224 VanDerWaalsContact O-N 3.14Å; F222-V224 VanDerWaalsContact C-N 3.34Å; F222-V224 PolarHBondContact O-N 3.41Å; V224-H226 PolarHBondContact O-N 3.41Å; V224-E227 PolarHBondContact O-N 3.01Å; V224-L249 HydrophobicContact CG2-CD2 3.83Å; V224-K252 HydrophobicContact CG1-CB 3.57Å; V224-K252 HydrophobicContact CG1-CD 4.42Å; V224-I256 HydrophobicContact CG2-CD1 4.17Å
225	D	97.7	Very high	96.9	Very high	100 Å²	100	37.2 Å²	37.2	54%	0.535	18%	0.179	S	C	.	.	H	α-helix	trans	-65	-28	-177.3	-69.7	-20.6	0	0	0	112.6	K221 F222	K221-D225 PolarHBondContact O-N 3.18Å; F222-D225 PolarHBondContact O-N 3.35Å
226	H	97.6	Very high	97.3	Very high	61 Å²	61	33.8 Å²	33.8	28%	0.282	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	8.6	178.9	-65.9	84.2	0	0	0	114.4	H80 L83 F222 V224 I228	H80-H226 AromaticContact CE1-NE2 3.68Å; H80-H226 AromaticContact CG-NE2 3.85Å; H80-H226 AromaticContact ND1-CD2 3.42Å; H80-H226 PolarHBondContact ND1-CD2 3.29Å; H80-H226 AromaticContact ND1-NE2 2.85Å; H80-H226 PolarHBondContact ND1-NE2 3.01Å; L83-H226 HydrophobicContact CD1-CB 3.72Å; F222-H226 AromaticContact CD1-ND1 3.83Å; F222-H226 AromaticContact CD2-CE1 3.45Å; F222-H226 VanDerWaalsContact CD2-CE1 3.45Å; F222-H226 WeakPolarHBondContact CD2-CE1 3.32Å; F222-H226 AromaticContact CD2-ND1 3.53Å; F222-H226 HydrophobicContact CE1-CB 4.36Å; F222-H226 AromaticContact CE1-ND1 3.74Å; F222-H226 AromaticContact CE2-CE1 3.19Å; F222-H226 WeakPolarHBondContact CE2-CE1 3.45Å; F222-H226 AromaticContact CE2-ND1 3.46Å; F222-H226 WeakPolarHBondContact CE2-ND1 3.3Å; F222-H226 AromaticContact CE2-NE2 3.81Å; F222-H226 AromaticContact CG-ND1 3.71Å; F222-H226 AromaticContact CZ-CE1 3.65Å; F222-H226 AromaticContact CZ-CG 3.89Å; F222-H226 AromaticContact CZ-ND1 3.56Å; F222-H226 WeakPolarHBondContact O-CB 3.45Å; F222-H226 PolarHBondContact O-N 3.37Å; F222-H226 PolarHBondContact O-ND1 3.26Å; V224-H226 PolarHBondContact O-N 3.41Å; H226-I228 VanDerWaalsContact C-N 3.26Å; H226-I228 HydrophobicContact CB-CD1 4.33Å; H226-I228 HydrophobicContact CB-CG1 4.31Å; H226-I228 PolarHBondContact O-N 3Å
227	E	96.2	Very high	97.3	Very high	122 Å²	122	35 Å²	35	57%	0.57	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	39.5	179.4	-55.5	-169.1	82.5	0	0	114.3	A223 V224 R449	A223-E227 PolarHBondContact O-N 3.32Å; A223-E227 VanDerWaalsContact O-N 3.16Å; V224-E227 PolarHBondContact O-N 3.01Å; E227-R449 IonicContact OE1-NH2 2.7Å; E227-R449 PolarHBondContact OE1-NH2 2.98Å; E227-R449 VanDerWaalsContact OE1-NH2 3.08Å
228	I	98.1	Very high	97.3	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	16%	0.156	C	C	.	.			trans	-58.4	142.1	176.2	-60.5	-62.5	0	0	0	109.9	L69 L83 V101 L103 A223 H226 F230 I256	L69-I228 HydrophobicContact CD1-CD1 4.5Å; L83-I228 HydrophobicContact CD1-CD1 4.11Å; L83-I228 HydrophobicContact CD2-CD1 3.92Å; V101-I228 HydrophobicContact CB-CD1 4.17Å; V101-I228 HydrophobicContact CG1-CD1 3.68Å; V101-I228 WeakPolarHBondContact O-CG2 3.34Å; L103-I228 HydrophobicContact CB-CG2 4.01Å; A223-I228 HydrophobicContact CB-CB 4.04Å; A223-I228 HydrophobicContact CB-CG1 4.08Å; A223-I228 PolarHBondContact O-N 2.92Å; H226-I228 VanDerWaalsContact C-N 3.26Å; H226-I228 HydrophobicContact CB-CD1 4.33Å; H226-I228 HydrophobicContact CB-CG1 4.31Å; H226-I228 PolarHBondContact O-N 3Å; I228-F230 VanDerWaalsContact CG2-O 3.29Å; I228-F230 WeakPolarHBondContact CG2-O 3.29Å; I228-I256 WeakPolarHBondContact O-CD1 3.46Å; I228-I256 VanDerWaalsContact O-CG1 3.27Å; I228-I256 WeakPolarHBondContact O-CG1 3.12Å
229	D	98.5	Very high	97.3	Very high	7 Å²	7	28.2 Å²	28.2	4%	0.037	14%	0.14	C	C	.	.	S	Bend	trans	-80.1	-42	-175	-57.4	-62.3	0	0	0	111.8	A100 V101 I256 K257 R452	A100-D229 VanDerWaalsContact CA-OD2 3.29Å; A100-D229 WeakPolarHBondContact CA-OD2 3.46Å; A100-D229 HydrophobicContact CB-CB 4.39Å; V101-D229 PolarHBondContact N-OD2 3.15Å; V101-D229 WeakPolarHBondContact O-CB 3.33Å; V101-D229 PolarHBondContact O-N 3.01Å; D229-I256 WeakPolarHBondContact O-CA 3.18Å; D229-I256 WeakPolarHBondContact O-CG2 3.43Å; D229-K257 PolarHBondContact O-N 3.41Å; D229-R452 IonicContact OD1-CZ 2.7Å; D229-R452 IonicContact OD1-NE 2.81Å; D229-R452 PolarHBondContact OD1-NE 2.94Å; D229-R452 IonicContact OD1-NH2 3.66Å; D229-R452 PolarHBondContact OD1-NH2 3.28Å; D229-R452 VanDerWaalsContact OD2-CD 3.3Å; D229-R452 WeakPolarHBondContact OD2-CD 3.46Å; D229-R452 IonicContact OD2-CZ 2.84Å; D229-R452 IonicContact OD2-NE 3.24Å; D229-R452 PolarHBondContact OD2-NE 2.87Å
230	F	98.7	Very high	97.3	Very high	1 Å²	1	33.1 Å²	33.1	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	142.3	-172.1	-43.2	-43.9	0	0	0	112.8	I66 A100 V101 A102 L103 I228 F232 K257 R452 Y453 L456	I66-F230 HydrophobicContact CD1-CE2 3.87Å; I66-F230 HydrophobicContact CG1-CE2 4.33Å; I66-F230 HydrophobicContact CG2-CD2 4.1Å; I66-F230 HydrophobicContact CG2-CE2 4.12Å; A100-F230 HydrophobicContact CB-CD2 4.34Å; A100-F230 HydrophobicContact CB-CE2 3.44Å; A100-F230 VanDerWaalsContact CB-CE2 3.44Å; A100-F230 HydrophobicContact CB-CZ 3.83Å; V101-F230 PolarHBondContact O-N 3.37Å; V101-F230 VanDerWaalsContact O-N 3.09Å; A102-F230 CarbonylContact C-O 3.57Å; A102-F230 VanDerWaalsContact CA-O 3.3Å; A102-F230 WeakPolarHBondContact CA-O 3.39Å; A102-F230 HydrophobicContact CB-CB 3.96Å; A102-F230 HydrophobicContact CB-CD2 4.2Å; L103-F230 PolarHBondContact N-O 3.45Å; I228-F230 VanDerWaalsContact CG2-O 3.29Å; I228-F230 WeakPolarHBondContact CG2-O 3.29Å; F230-F232 HydrophobicContact CB-CD1 4.23Å; F230-F232 HydrophobicContact CB-CE1 3.88Å; F230-F232 HydrophobicContact CD2-CE1 4.36Å; F230-F232 HydrophobicContact CG-CE1 4.47Å; F230-K257 CarbonylContact C-O 3.53Å; F230-K257 WeakPolarHBondContact CA-O 3.15Å; F230-K257 HydrophobicContact CD1-CB 3.8Å; F230-K257 HydrophobicContact CD1-CG 4.11Å; F230-K257 HydrophobicContact CE1-CB 4.38Å; F230-K257 HydrophobicContact CE1-CG 4.23Å; F230-R452 WeakPolarHBondContact CZ-O 3.23Å; F230-Y453 HydrophobicContact CE1-CD2 4.31Å; F230-L456 HydrophobicContact CD1-CD1 3.74Å; F230-L456 HydrophobicContact CD2-CD1 4.19Å; F230-L456 HydrophobicContact CD2-CD2 4.36Å; F230-L456 HydrophobicContact CD2-CG 4.3Å; F230-L456 HydrophobicContact CE1-CD1 3.43Å; F230-L456 VanDerWaalsContact CE1-CD1 3.43Å; F230-L456 HydrophobicContact CE1-CG 4.07Å; F230-L456 HydrophobicContact CE2-CD1 3.9Å; F230-L456 HydrophobicContact CE2-CD2 4.11Å; F230-L456 HydrophobicContact CE2-CG 3.71Å; F230-L456 HydrophobicContact CG-CD1 4.13Å; F230-L456 HydrophobicContact CZ-CD1 3.5Å; F230-L456 HydrophobicContact CZ-CD2 4.46Å; F230-L456 HydrophobicContact CZ-CG 3.58Å
231	I	98.7	Very high	97.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121	161.5	-55	-52.3	0	0	0	107.8	L103 T105 L220 A223 A233 I245 L249 I256 K257 I259	L103-I231 HydrophobicContact CB-CD1 4.14Å; L103-I231 HydrophobicContact CD2-CD1 4.38Å; L103-I231 CarbonylContact O-C 3.48Å; L103-I231 WeakPolarHBondContact O-CA 3.48Å; T105-I231 HydrophobicContact CG2-CG2 3.74Å; L220-I231 HydrophobicContact CD2-CD1 3.83Å; L220-I231 HydrophobicContact CD2-CG1 3.89Å; L220-I231 HydrophobicContact CD2-CG2 3.89Å; A223-I231 HydrophobicContact CB-CD1 3.59Å; I231-A233 HydrophobicContact CG2-CB 4.39Å; I231-I245 HydrophobicContact CG2-CG2 4.35Å; I231-L249 HydrophobicContact CD1-CD2 4.44Å; I231-L249 HydrophobicContact CG1-CD1 4.18Å; I231-L249 HydrophobicContact CG1-CD2 4.27Å; I231-I256 HydrophobicContact CD1-CG2 4.06Å; I231-I256 HydrophobicContact CG1-CG2 3.74Å; I231-K257 PolarHBondContact N-O 3.27Å; I231-I259 PolarHBondContact O-N 2.87Å
232	F	98.6	Very high	97.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	102.8	164.5	-58.3	-13.9	0	0	0	107.1	I43 R68 A102 L103 D104 T105 F230 I259 K261 M282 I316 M351	I43-F232 HydrophobicContact CD1-CZ 4.24Å; I43-F232 HydrophobicContact CG2-CE2 4.13Å; I43-F232 HydrophobicContact CG2-CZ 4.45Å; R68-F232 HydrophobicContact CB-CE2 4.29Å; R68-F232 HydrophobicContact CG-CD2 4.24Å; R68-F232 HydrophobicContact CG-CE2 4.25Å; A102-F232 HydrophobicContact CB-CD1 3.95Å; A102-F232 HydrophobicContact CB-CD2 3.86Å; A102-F232 HydrophobicContact CB-CE1 3.54Å; A102-F232 HydrophobicContact CB-CE2 3.43Å; A102-F232 VanDerWaalsContact CB-CE2 3.43Å; A102-F232 HydrophobicContact CB-CG 4.13Å; A102-F232 HydrophobicContact CB-CZ 3.28Å; L103-F232 PolarHBondContact O-N 3.23Å; D104-F232 WeakPolarHBondContact CA-O 3.29Å; D104-F232 HydrophobicContact CB-CB 4Å; D104-F232 HydrophobicContact CB-CD2 4.29Å; T105-F232 PolarHBondContact N-O 2.72Å; T105-F232 PolarHBondContact OG1-O 3.06Å; F230-F232 HydrophobicContact CB-CD1 4.23Å; F230-F232 HydrophobicContact CB-CE1 3.88Å; F230-F232 HydrophobicContact CD2-CE1 4.36Å; F230-F232 HydrophobicContact CG-CE1 4.47Å; F232-I259 WeakPolarHBondContact CA-O 3.4Å; F232-I259 HydrophobicContact CD1-CB 3.72Å; F232-I259 HydrophobicContact CD1-CG1 3.81Å; F232-I259 HydrophobicContact CD1-CG2 4.34Å; F232-I259 HydrophobicContact CE1-CB 4.14Å; F232-I259 HydrophobicContact CE1-CG1 3.81Å; F232-K261 HydrophobicContact CB-CD 4.1Å; F232-K261 HydrophobicContact CB-CG 4.41Å; F232-M282 HydrophobicContact CB-CE 4.29Å; F232-M282 HydrophobicContact CD1-CE 4.3Å; F232-M282 HydrophobicContact CD2-CE 3.3Å; F232-M282 HydrophobicContact CE1-CE 4.43Å; F232-M282 HydrophobicContact CE2-CE 3.48Å; F232-M282 VanDerWaalsContact CE2-CE 3.48Å; F232-M282 HydrophobicContact CG-CE 3.73Å; F232-M282 HydrophobicContact CZ-CE 4.05Å; F232-I316 HydrophobicContact CE1-CD1 3.94Å; F232-I316 HydrophobicContact CZ-CD1 3.86Å; F232-M351 HydrophobicContact CE2-SD 4.33Å
233	A	97.7	Very high	97.2	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.008	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	115.9	-170.9	0	0	0	0	0	110.6	I231 V236 I245 I258 I259 K261	I231-A233 HydrophobicContact CG2-CB 4.39Å; A233-V236 HydrophobicContact CB-CG2 3.74Å; A233-V236 WeakPolarHBondContact O-CG2 3.39Å; A233-I245 HydrophobicContact CB-CD1 3.39Å; A233-I258 HydrophobicContact CB-CG2 4.19Å; A233-I259 PolarHBondContact N-O 3.36Å; A233-K261 WeakPolarHBondContact O-CB 3.48Å; A233-K261 WeakPolarHBondContact O-CG 3.27Å; A233-K261 PolarHBondContact O-N 3.32Å
234	S	96.1	Very high	97.2	Very high	8 Å²	8	33.3 Å²	33.3	6%	0.056	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	145.2	-175.4	-57.8	0	0	0	0	112	D104 T105 V236 K261 E263	D104-S234 PolarHBondContact OD1-OG 3.18Å; T105-S234 PolarHBondContact O-OG 3.29Å; T105-S234 PolarHBondContact OG1-N 3.4Å; T105-S234 PolarHBondContact OG1-OG 3.32Å; S234-V236 VanDerWaalsContact C-N 3.29Å; S234-V236 PolarHBondContact O-N 2.88Å; S234-K261 PolarHBondContact OG-NZ 3.3Å; S234-E263 WeakPolarHBondContact CA-OE1 3.42Å; S234-E263 VanDerWaalsContact CB-OE1 3.3Å; S234-E263 WeakPolarHBondContact CB-OE1 3.42Å
235	F	94.5	Very high	97.1	Very high	25 Å²	25	32.3 Å²	32.3	11%	0.11	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	41.1	175	-60.1	-85.5	0	0	0	113.4	P108 E109 R237 E263 D287	P108-F235 HydrophobicContact CG-CB 3.68Å; P108-F235 HydrophobicContact CG-CD2 4.33Å; P108-F235 HydrophobicContact CG-CG 4.25Å; E109-F235 HydrophobicContact CG-CE2 3.85Å; F235-R237 PolarHBondContact O-N 3.44Å; F235-E263 HydrophobicContact CD1-CG 3.71Å; F235-E263 HydrophobicContact CE1-CG 3.96Å; F235-E263 HydrophobicContact CG-CG 4.04Å; F235-E263 HydrophobicContact CZ-CG 4.48Å; F235-E263 PolarHBondContact N-OE1 3Å; F235-D287 HydrophobicContact CE1-CB 4.09Å; F235-D287 HydrophobicContact CZ-CB 4.21Å
236	V	96.4	Very high	97.1	Very high	3 Å²	3	31 Å²	31	2%	0.018	15%	0.151	C	C	.	.			trans	-67.1	117.9	174.5	174.6	0	0	0	0	109	A233 S234 D241 V242 A260 K261 I274	A233-V236 HydrophobicContact CB-CG2 3.74Å; A233-V236 WeakPolarHBondContact O-CG2 3.39Å; S234-V236 VanDerWaalsContact C-N 3.29Å; S234-V236 PolarHBondContact O-N 2.88Å; V236-D241 HydrophobicContact CG1-CB 4.26Å; V236-V242 HydrophobicContact CG1-CG2 3.75Å; V236-A260 HydrophobicContact CB-CB 3.89Å; V236-A260 HydrophobicContact CG1-CB 3.82Å; V236-A260 HydrophobicContact CG2-CB 3.84Å; V236-K261 PolarHBondContact N-O 2.66Å; V236-I274 HydrophobicContact CG1-CD1 4.09Å; V236-I274 HydrophobicContact CG1-CG1 4.14Å; V236-I274 HydrophobicContact CG1-CG2 3.74Å
237	R	95.1	Very high	97.1	Very high	28 Å²	28	36.7 Å²	36.7	11%	0.106	18%	0.175	C	C	.	.			trans	-105.5	-26.9	-179.5	-66.2	166.1	-61.3	-166.7	0.5	112	V207 L209 F235 D241 N264 E266 N270	V207-R237 PolarHBondContact O-NH1 2.86Å; L209-R237 PolarHBondContact O-NH1 2.99Å; L209-R237 PolarHBondContact O-NH2 2.94Å; F235-R237 PolarHBondContact O-N 3.44Å; R237-D241 WeakPolarHBondContact CA-OD2 3.36Å; R237-D241 WeakPolarHBondContact CB-OD2 3.5Å; R237-D241 PolarHBondContact N-OD2 3.13Å; R237-D241 IonicContact NE-OD2 3.06Å; R237-N264 VanDerWaalsContact CG-ND2 3.34Å; R237-N264 WeakPolarHBondContact CG-ND2 3.46Å; R237-E266 HydrophobicContact CB-CB 4.33Å; R237-E266 HydrophobicContact CB-CG 3.97Å; R237-E266 WeakPolarHBondContact CD-OE2 3.45Å; R237-E266 HydrophobicContact CG-CB 4.3Å; R237-E266 HydrophobicContact CG-CG 4.43Å; R237-N270 WeakPolarHBondContact O-CB 3.34Å; R237-N270 PolarHBondContact O-ND2 3.06Å
238	S	95.7	Very high	97.2	Very high	26 Å²	26	32.9 Å²	32.9	18%	0.182	17%	0.165	C	C	.	.	S	Bend	trans	-143.4	160.2	-171.2	78	0	0	0	0	112.9	E240 D241	S238-E240 PolarHBondContact O-N 3.44Å; S238-E240 PolarHBondContact OG-N 3.12Å; S238-D241 PolarHBondContact N-OD2 2.57Å; S238-D241 WeakPolarHBondContact O-CB 3.43Å; S238-D241 PolarHBondContact O-N 3.03Å; S238-D241 PolarHBondContact OG-N 3.24Å; S238-D241 PolarHBondContact OG-OD1 2.89Å; S238-D241 PolarHBondContact OG-OD2 2.81Å
239	P	97.2	Very high	97.2	Very high	32 Å²	32	33 Å²	33	21%	0.208	17%	0.165	C	C	.	.	H	α-helix	trans	-58	-26.9	168.6	22.5	-34.5	0	0	0	113.3	V242 K243 D273 Q277	P239-V242 PolarHBondContact O-N 3.19Å; P239-K243 WeakPolarHBondContact O-CG 3.21Å; P239-K243 PolarHBondContact O-N 3.07Å; P239-K243 VanDerWaalsContact O-N 3.14Å; P239-D273 HydrophobicContact CB-CB 4.41Å; P239-D273 HydrophobicContact CG-CB 4Å; P239-Q277 HydrophobicContact CB-CB 4.28Å; P239-Q277 HydrophobicContact CB-CG 3.49Å; P239-Q277 VanDerWaalsContact CB-CG 3.49Å
240	E	96.9	Very high	97.1	Very high	104 Å²	104	34.2 Å²	34.2	49%	0.486	18%	0.179	S	C	.	.	H	α-helix	trans	-72.1	-30.4	-179.7	-163.3	57.8	-145.1	0	0	112.3	S238 V242 K243 S244	S238-E240 PolarHBondContact O-N 3.44Å; S238-E240 PolarHBondContact OG-N 3.12Å; E240-V242 VanDerWaalsContact C-N 3.32Å; E240-V242 PolarHBondContact O-N 3.29Å; E240-K243 PolarHBondContact O-N 2.7Å; E240-K243 WeakPolarHBondContact OE2-CD 3.43Å; E240-K243 IonicContact OE2-NZ 3.55Å; E240-S244 WeakPolarHBondContact O-CB 3.23Å; E240-S244 PolarHBondContact O-N 3.45Å; E240-S244 PolarHBondContact O-OG 3.01Å
241	D	96.3	Very high	97	Very high	17 Å²	17	41 Å²	41	9%	0.091	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-44.3	173.7	-57.7	-24.5	0	0	0	110.1	A211 V236 R237 S238 S244 I245	A211-D241 HydrophobicContact CB-CB 3.84Å; A211-D241 WeakPolarHBondContact CB-OD1 3.43Å; V236-D241 HydrophobicContact CG1-CB 4.26Å; R237-D241 WeakPolarHBondContact CA-OD2 3.36Å; R237-D241 WeakPolarHBondContact CB-OD2 3.5Å; R237-D241 PolarHBondContact N-OD2 3.13Å; R237-D241 IonicContact NE-OD2 3.06Å; S238-D241 PolarHBondContact N-OD2 2.57Å; S238-D241 WeakPolarHBondContact O-CB 3.43Å; S238-D241 PolarHBondContact O-N 3.03Å; S238-D241 PolarHBondContact OG-N 3.24Å; S238-D241 PolarHBondContact OG-OD1 2.89Å; S238-D241 PolarHBondContact OG-OD2 2.81Å; D241-S244 WeakPolarHBondContact O-CB 3.22Å; D241-S244 PolarHBondContact O-N 3.35Å; D241-I245 WeakPolarHBondContact O-CD1 3.45Å; D241-I245 WeakPolarHBondContact O-CG1 3.27Å; D241-I245 PolarHBondContact O-N 2.9Å
242	V	97.9	Very high	96.9	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.024	25%	0.253	C	S	.	.	H	α-helix	trans	-62.6	-44.8	176.8	-177.3	0	0	0	0	111.1	V236 P239 E240 S244 I245 R246 I258 A260 I274 Q277 A278	V236-V242 HydrophobicContact CG1-CG2 3.75Å; P239-V242 PolarHBondContact O-N 3.19Å; E240-V242 VanDerWaalsContact C-N 3.32Å; E240-V242 PolarHBondContact O-N 3.29Å; V242-S244 VanDerWaalsContact C-N 3.31Å; V242-S244 PolarHBondContact O-N 2.87Å; V242-I245 PolarHBondContact O-N 2.77Å; V242-R246 PolarHBondContact O-N 2.97Å; V242-I258 HydrophobicContact CG1-CD1 4.46Å; V242-I258 HydrophobicContact CG1-CG2 4.09Å; V242-A260 HydrophobicContact CG2-CB 4.32Å; V242-I274 HydrophobicContact CG2-CG2 4.23Å; V242-Q277 HydrophobicContact CB-CB 4.22Å; V242-Q277 HydrophobicContact CG1-CB 4.14Å; V242-A278 HydrophobicContact CG1-CB 4.21Å; V242-A278 HydrophobicContact CG2-CB 4.31Å
243	K	97.5	Very high	96.9	Very high	91 Å²	91	49.5 Å²	49.5	40%	0.396	25%	0.253	S	S	.	.	H	α-helix	trans	-63.1	-38.1	176.3	-69.8	173.8	-169.7	170.3	0	112	P239 E240 R246 K247	P239-K243 WeakPolarHBondContact O-CG 3.21Å; P239-K243 PolarHBondContact O-N 3.07Å; P239-K243 VanDerWaalsContact O-N 3.14Å; E240-K243 PolarHBondContact O-N 2.7Å; E240-K243 WeakPolarHBondContact OE2-CD 3.43Å; E240-K243 IonicContact OE2-NZ 3.55Å; K243-R246 PolarHBondContact O-N 3.39Å; K243-K247 WeakPolarHBondContact O-CB 3.39Å; K243-K247 PolarHBondContact O-N 3.12Å
244	S	96.8	Very high	96.8	Very high	41 Å²	41	55 Å²	55	29%	0.287	28%	0.278	S	S	.	.	H	α-helix	trans	-62	-43.4	176.9	-63	0	0	0	0	111.4	E240 D241 V242 K247 A248	E240-S244 WeakPolarHBondContact O-CB 3.23Å; E240-S244 PolarHBondContact O-N 3.45Å; E240-S244 PolarHBondContact O-OG 3.01Å; D241-S244 WeakPolarHBondContact O-CB 3.22Å; D241-S244 PolarHBondContact O-N 3.35Å; V242-S244 VanDerWaalsContact C-N 3.31Å; V242-S244 PolarHBondContact O-N 2.87Å; S244-K247 PolarHBondContact O-N 2.71Å; S244-A248 WeakPolarHBondContact O-CB 3.3Å; S244-A248 PolarHBondContact O-N 2.93Å
245	I	97.6	Very high	96.7	Very high	6 Å²	6	58.8 Å²	58.8	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-63.1	-47.6	173.5	-64.7	152.7	0	0	0	110.9	L212 L220 I231 A233 D241 V242 K247 A248 L249 I258	L212-I245 HydrophobicContact CD1-CG1 4.29Å; L212-I245 HydrophobicContact CD2-CG1 3.85Å; L212-I245 HydrophobicContact CG-CG1 4.27Å; L220-I245 HydrophobicContact CD1-CG2 4.19Å; L220-I245 HydrophobicContact CD2-CG2 4.19Å; I231-I245 HydrophobicContact CG2-CG2 4.35Å; A233-I245 HydrophobicContact CB-CD1 3.39Å; D241-I245 WeakPolarHBondContact O-CD1 3.45Å; D241-I245 WeakPolarHBondContact O-CG1 3.27Å; D241-I245 PolarHBondContact O-N 2.9Å; V242-I245 PolarHBondContact O-N 2.77Å; I245-K247 VanDerWaalsContact C-N 3.27Å; I245-K247 PolarHBondContact O-N 3.24Å; I245-A248 PolarHBondContact O-N 2.81Å; I245-A248 VanDerWaalsContact O-N 3.12Å; I245-L249 HydrophobicContact CG2-CD1 4.21Å; I245-L249 HydrophobicContact CG2-CG 4.48Å; I245-L249 WeakPolarHBondContact O-CG 3.26Å; I245-L249 PolarHBondContact O-N 3.48Å; I245-I258 HydrophobicContact CB-CD1 4.11Å; I245-I258 HydrophobicContact CD1-CG2 4.4Å; I245-I258 HydrophobicContact CG2-CD1 3.73Å; I245-I258 HydrophobicContact CG2-CG1 3.94Å; I245-I258 HydrophobicContact CG2-CG2 4.25Å
246	R	97.9	Very high	96.9	Very high	72 Å²	72	57.7 Å²	57.7	27%	0.272	29%	0.293	S	S	.	.	H	α-helix	trans	-56.5	-43	177.7	177.9	57.3	64.1	-155.1	3.4	111.6	V242 K243 L249 G253 Q254 I256 I258 D279	V242-R246 PolarHBondContact O-N 2.97Å; K243-R246 PolarHBondContact O-N 3.39Å; R246-L249 PolarHBondContact O-N 2.67Å; R246-G253 PolarHBondContact NH1-O 3.11Å; R246-Q254 PolarHBondContact NH1-O 3.37Å; R246-Q254 VanDerWaalsContact NH1-O 3.17Å; R246-I256 VanDerWaalsContact CZ-O 3.28Å; R246-I256 PolarHBondContact NH1-O 2.9Å; R246-I256 PolarHBondContact NH2-O 3.14Å; R246-I258 HydrophobicContact CB-CD1 3.73Å; R246-D279 IonicContact NH2-OD2 3.08Å; R246-D279 PolarHBondContact NH2-OD2 2.93Å
247	K	97.4	Very high	97	Very high	181 Å²	181	59.7 Å²	59.7	79%	0.787	30%	0.302	S	S	*	.	H	α-helix	trans	-65.5	-42.6	176.6	-174.9	178.6	178.9	-179.2	0	111.9	K243 S244 I245 L249 G250	K243-K247 WeakPolarHBondContact O-CB 3.39Å; K243-K247 PolarHBondContact O-N 3.12Å; S244-K247 PolarHBondContact O-N 2.71Å; I245-K247 VanDerWaalsContact C-N 3.27Å; I245-K247 PolarHBondContact O-N 3.24Å; K247-L249 VanDerWaalsContact C-N 3.31Å; K247-L249 PolarHBondContact O-N 3.45Å; K247-G250 PolarHBondContact O-N 2.98Å; K247-G250 VanDerWaalsContact O-N 3.16Å
248	A	97.3	Very high	97.1	Very high	42 Å²	42	58.4 Å²	58.4	35%	0.347	30%	0.297	S	S	.	.	H	α-helix	trans	-65.7	-31.7	179.3	0	0	0	0	0	113.3	L212 L217 L220 S244 I245 G250	L212-A248 HydrophobicContact CD1-CB 3.74Å; L217-A248 HydrophobicContact CD2-CB 3.73Å; L220-A248 HydrophobicContact CD1-CB 3.71Å; S244-A248 WeakPolarHBondContact O-CB 3.3Å; S244-A248 PolarHBondContact O-N 2.93Å; I245-A248 PolarHBondContact O-N 2.81Å; I245-A248 VanDerWaalsContact O-N 3.12Å; A248-G250 VanDerWaalsContact C-N 3.28Å; A248-G250 PolarHBondContact O-N 2.93Å
249	L	98	Very high	97.3	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-67.6	-26.2	173.5	-72	172.8	0	0	0	113.3	L220 V224 I231 I245 R246 K247 G253 I256 I258	L220-L249 HydrophobicContact CB-CD2 4.22Å; L220-L249 HydrophobicContact CD2-CD2 4.04Å; V224-L249 HydrophobicContact CG2-CD2 3.83Å; I231-L249 HydrophobicContact CD1-CD2 4.44Å; I231-L249 HydrophobicContact CG1-CD1 4.18Å; I231-L249 HydrophobicContact CG1-CD2 4.27Å; I245-L249 HydrophobicContact CG2-CD1 4.21Å; I245-L249 HydrophobicContact CG2-CG 4.48Å; I245-L249 WeakPolarHBondContact O-CG 3.26Å; I245-L249 PolarHBondContact O-N 3.48Å; R246-L249 PolarHBondContact O-N 2.67Å; K247-L249 VanDerWaalsContact C-N 3.31Å; K247-L249 PolarHBondContact O-N 3.45Å; L249-G253 WeakPolarHBondContact O-CA 3.34Å; L249-G253 PolarHBondContact O-N 2.95Å; L249-I256 HydrophobicContact CD1-CB 4.25Å; L249-I256 HydrophobicContact CD1-CG2 4.43Å; L249-I256 HydrophobicContact CD2-CD1 4.22Å; L249-I258 HydrophobicContact CD1-CD1 4.15Å; L249-I258 HydrophobicContact CD1-CG1 4.1Å
250	G	97.3	Very high	97.4	Very high	32 Å²	32	55.7 Å²	55.7	33%	0.33	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	-169.9	179.4	0	0	0	0	0	114.5	K247 A248 K252 G253 Q254	K247-G250 PolarHBondContact O-N 2.98Å; K247-G250 VanDerWaalsContact O-N 3.16Å; A248-G250 VanDerWaalsContact C-N 3.28Å; A248-G250 PolarHBondContact O-N 2.93Å; G250-K252 VanDerWaalsContact C-N 3.33Å; G250-K252 PolarHBondContact O-N 3.3Å; G250-G253 CarbonylContact O-C 3.56Å; G250-G253 PolarHBondContact O-N 2.87Å; G250-G253 VanDerWaalsContact O-N 3.1Å; G250-Q254 PolarHBondContact O-N 3.48Å; G250-Q254 VanDerWaalsContact O-N 3.14Å
251	D	97.1	Very high	97.4	Very high	144 Å²	144	51.5 Å²	51.5	77%	0.77	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-63.8	-36.9	-173.7	-61.7	-18.1	0	0	0	112.8	G253 Q254	D251-G253 VanDerWaalsContact C-N 3.27Å; D251-G253 PolarHBondContact O-N 2.89Å; D251-Q254 WeakPolarHBondContact O-CB 3.27Å; D251-Q254 VanDerWaalsContact O-CG 3.23Å; D251-Q254 WeakPolarHBondContact O-CG 3.36Å; D251-Q254 PolarHBondContact O-N 2.85Å
252	K	96.4	Very high	97.5	Very high	177 Å²	177	50.7 Å²	50.7	77%	0.77	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-65.1	-32.3	176.3	-69.5	-173.3	178.6	-177	0	112.2	V224 G250	V224-K252 HydrophobicContact CG1-CB 3.57Å; V224-K252 HydrophobicContact CG1-CD 4.42Å; G250-K252 VanDerWaalsContact C-N 3.33Å; G250-K252 PolarHBondContact O-N 3.3Å
253	G	96.9	Very high	97.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-94	5.7	179.5	0	0	0	0	0	114.7	R246 L249 G250 D251 N255 I256	R246-G253 PolarHBondContact NH1-O 3.11Å; L249-G253 WeakPolarHBondContact O-CA 3.34Å; L249-G253 PolarHBondContact O-N 2.95Å; G250-G253 CarbonylContact O-C 3.56Å; G250-G253 PolarHBondContact O-N 2.87Å; G250-G253 VanDerWaalsContact O-N 3.1Å; D251-G253 VanDerWaalsContact C-N 3.27Å; D251-G253 PolarHBondContact O-N 2.89Å; G253-N255 PolarHBondContact O-N 3.28Å; G253-I256 WeakPolarHBondContact O-CB 3.12Å; G253-I256 PolarHBondContact O-N 2.64Å
254	Q	96	Very high	97.3	Very high	117 Å²	117	46.9 Å²	46.9	55%	0.547	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.3	-173.5	71.3	-179.1	-22.8	0	0	114.1	R246 G250 D251	R246-Q254 PolarHBondContact NH1-O 3.37Å; R246-Q254 VanDerWaalsContact NH1-O 3.17Å; G250-Q254 PolarHBondContact O-N 3.48Å; G250-Q254 VanDerWaalsContact O-N 3.14Å; D251-Q254 WeakPolarHBondContact O-CB 3.27Å; D251-Q254 VanDerWaalsContact O-CG 3.23Å; D251-Q254 WeakPolarHBondContact O-CG 3.36Å; D251-Q254 PolarHBondContact O-N 2.85Å
255	N	94.8	Very high	97.1	Very high	88 Å²	88	47.9 Å²	47.9	47%	0.471	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-7	-178.2	-69	-30.2	0	0	0	113.7	G253	G253-N255 PolarHBondContact O-N 3.28Å
256	I	97.9	Very high	96.9	Very high	1 Å²	1	51 Å²	51	1%	0.005	25%	0.252	C	S	.	.	S	Bend	trans	-71.3	132.2	173.9	-55.8	-173.4	0	0	0	108.1	V224 I228 D229 I231 R246 L249 G253	V224-I256 HydrophobicContact CG2-CD1 4.17Å; I228-I256 WeakPolarHBondContact O-CD1 3.46Å; I228-I256 VanDerWaalsContact O-CG1 3.27Å; I228-I256 WeakPolarHBondContact O-CG1 3.12Å; D229-I256 WeakPolarHBondContact O-CA 3.18Å; D229-I256 WeakPolarHBondContact O-CG2 3.43Å; I231-I256 HydrophobicContact CD1-CG2 4.06Å; I231-I256 HydrophobicContact CG1-CG2 3.74Å; R246-I256 VanDerWaalsContact CZ-O 3.28Å; R246-I256 PolarHBondContact NH1-O 2.9Å; R246-I256 PolarHBondContact NH2-O 3.14Å; L249-I256 HydrophobicContact CD1-CB 4.25Å; L249-I256 HydrophobicContact CD1-CG2 4.43Å; L249-I256 HydrophobicContact CD2-CD1 4.22Å; G253-I256 WeakPolarHBondContact O-CB 3.12Å; G253-I256 PolarHBondContact O-N 2.64Å
257	K	98.3	Very high	96.8	Very high	46 Å²	46	47.6 Å²	47.6	20%	0.2	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	137.3	-178.6	-54.1	-63.4	-176.6	-179.6	0	111.5	D229 F230 I231 D279 Y453	D229-K257 PolarHBondContact O-N 3.41Å; F230-K257 CarbonylContact C-O 3.53Å; F230-K257 WeakPolarHBondContact CA-O 3.15Å; F230-K257 HydrophobicContact CD1-CB 3.8Å; F230-K257 HydrophobicContact CD1-CG 4.11Å; F230-K257 HydrophobicContact CE1-CB 4.38Å; F230-K257 HydrophobicContact CE1-CG 4.23Å; I231-K257 PolarHBondContact N-O 3.27Å; K257-D279 WeakPolarHBondContact CA-OD2 3.19Å; K257-D279 HydrophobicContact CB-CB 3.78Å; K257-D279 HydrophobicContact CD-CB 3.85Å; K257-D279 WeakPolarHBondContact CD-OD1 3.42Å; K257-D279 HydrophobicContact CG-CB 4.37Å; K257-D279 IonicContact NZ-OD1 2.73Å; K257-D279 PolarHBondContact NZ-OD1 3.32Å; K257-Y453 HydrophobicContact CD-CD2 4.14Å; K257-Y453 HydrophobicContact CD-CE2 3.91Å; K257-Y453 HydrophobicContact CG-CD2 3.64Å; K257-Y453 HydrophobicContact CG-CE2 3.81Å
258	I	98.7	Very high	96.8	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	112.4	178.4	-57.7	165.6	0	0	0	108.3	A233 V242 I245 R246 L249 D279 G280	A233-I258 HydrophobicContact CB-CG2 4.19Å; V242-I258 HydrophobicContact CG1-CD1 4.46Å; V242-I258 HydrophobicContact CG1-CG2 4.09Å; I245-I258 HydrophobicContact CB-CD1 4.11Å; I245-I258 HydrophobicContact CD1-CG2 4.4Å; I245-I258 HydrophobicContact CG2-CD1 3.73Å; I245-I258 HydrophobicContact CG2-CG1 3.94Å; I245-I258 HydrophobicContact CG2-CG2 4.25Å; R246-I258 HydrophobicContact CB-CD1 3.73Å; L249-I258 HydrophobicContact CD1-CD1 4.15Å; L249-I258 HydrophobicContact CD1-CG1 4.1Å; I258-D279 PolarHBondContact N-OD2 2.97Å; I258-D279 PolarHBondContact O-N 2.98Å; I258-G280 PolarHBondContact O-N 3.48Å
259	I	98.8	Very high	96.8	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	109.4	174	-48.1	-55.7	0	0	0	107.5	I231 F232 A233 K261 G280 I281 M282 I316 L456	I231-I259 PolarHBondContact O-N 2.87Å; F232-I259 WeakPolarHBondContact CA-O 3.4Å; F232-I259 HydrophobicContact CD1-CB 3.72Å; F232-I259 HydrophobicContact CD1-CG1 3.81Å; F232-I259 HydrophobicContact CD1-CG2 4.34Å; F232-I259 HydrophobicContact CE1-CB 4.14Å; F232-I259 HydrophobicContact CE1-CG1 3.81Å; A233-I259 PolarHBondContact N-O 3.36Å; I259-K261 PolarHBondContact O-N 2.83Å; I259-G280 WeakPolarHBondContact CA-O 3.46Å; I259-I281 VanDerWaalsContact CG2-C 3.47Å; I259-M282 HydrophobicContact CG2-CB 4.14Å; I259-I316 HydrophobicContact CG2-CD1 3.88Å; I259-L456 HydrophobicContact CD1-CD1 3.89Å
260	A	98.7	Very high	96.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	124.6	-179.4	0	0	0	0	0	110.3	V236 V242 I274 A278 G280 I281 M282	V236-A260 HydrophobicContact CB-CB 3.89Å; V236-A260 HydrophobicContact CG1-CB 3.82Å; V236-A260 HydrophobicContact CG2-CB 3.84Å; V242-A260 HydrophobicContact CG2-CB 4.32Å; A260-I274 HydrophobicContact CB-CG2 3.55Å; A260-A278 HydrophobicContact CB-CB 3.92Å; A260-G280 PolarHBondContact N-O 3.39Å; A260-I281 HydrophobicContact CB-CD1 3.95Å; A260-I281 CarbonylContact O-C 3.57Å; A260-I281 WeakPolarHBondContact O-CA 3.13Å; A260-M282 PolarHBondContact O-N 2.91Å
261	K	98.7	Very high	96.8	Very high	15 Å²	15	45.8 Å²	45.8	7%	0.065	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	118.6	172.5	-62.8	167.5	56.5	-168.5	0	108.7	D104 F232 A233 S234 V236 I259 E263 M282 A284	D104-K261 IonicContact OD1-NZ 3.32Å; D104-K261 PolarHBondContact OD1-NZ 3.45Å; D104-K261 IonicContact OD2-NZ 3.81Å; F232-K261 HydrophobicContact CB-CD 4.1Å; F232-K261 HydrophobicContact CB-CG 4.41Å; A233-K261 WeakPolarHBondContact O-CB 3.48Å; A233-K261 WeakPolarHBondContact O-CG 3.27Å; A233-K261 PolarHBondContact O-N 3.32Å; S234-K261 PolarHBondContact OG-NZ 3.3Å; V236-K261 PolarHBondContact N-O 2.66Å; I259-K261 PolarHBondContact O-N 2.83Å; K261-E263 WeakPolarHBondContact CE-OE1 3.13Å; K261-E263 WeakPolarHBondContact CE-OE2 3.35Å; K261-E263 IonicContact NZ-OE1 3.06Å; K261-E263 IonicContact NZ-OE2 2.78Å; K261-M282 WeakPolarHBondContact CA-O 3.2Å; K261-M282 HydrophobicContact CD-SD 4.26Å; K261-M282 HydrophobicContact CG-CB 3.99Å; K261-M282 HydrophobicContact CG-CG 4.34Å; K261-M282 HydrophobicContact CG-SD 3.9Å; K261-A284 HydrophobicContact CB-CB 4.11Å; K261-A284 HydrophobicContact CG-CB 4.49Å
262	I	98.4	Very high	96.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	104.4	173.5	-55.2	-58.2	0	0	0	107.5	V268 V271 I274 I281 M282 A284 I304	I262-V268 HydrophobicContact CG2-CB 4.48Å; I262-V268 HydrophobicContact CG2-CG2 3.68Å; I262-V271 HydrophobicContact CD1-CG2 4.24Å; I262-V271 HydrophobicContact CG1-CG2 4.08Å; I262-I274 HydrophobicContact CD1-CD1 3.75Å; I262-I274 HydrophobicContact CD1-CG2 4.04Å; I262-I281 HydrophobicContact CG1-CD1 4.49Å; I262-I281 HydrophobicContact CG1-CG2 3.69Å; I262-M282 PolarHBondContact N-O 3.33Å; I262-A284 PolarHBondContact O-N 3Å; I262-I304 HydrophobicContact CB-CD1 4.06Å; I262-I304 HydrophobicContact CG1-CD1 4.46Å; I262-I304 HydrophobicContact CG2-CD1 3.72Å
263	E	96.5	Very high	97	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.193	C	C	.	.			trans	-140.3	14.6	-171.7	62.4	-163.9	163.7	0	0	114.8	S234 F235 K261 A284 D287 L288 E291	S234-E263 WeakPolarHBondContact CA-OE1 3.42Å; S234-E263 VanDerWaalsContact CB-OE1 3.3Å; S234-E263 WeakPolarHBondContact CB-OE1 3.42Å; F235-E263 HydrophobicContact CD1-CG 3.71Å; F235-E263 HydrophobicContact CE1-CG 3.96Å; F235-E263 HydrophobicContact CG-CG 4.04Å; F235-E263 HydrophobicContact CZ-CG 4.48Å; F235-E263 PolarHBondContact N-OE1 3Å; K261-E263 WeakPolarHBondContact CE-OE1 3.13Å; K261-E263 WeakPolarHBondContact CE-OE2 3.35Å; K261-E263 IonicContact NZ-OE1 3.06Å; K261-E263 IonicContact NZ-OE2 2.78Å; E263-A284 HydrophobicContact CB-CB 3.91Å; E263-A284 WeakPolarHBondContact OE2-CB 3.27Å; E263-D287 HydrophobicContact CB-CB 3.82Å; E263-D287 HydrophobicContact CG-CB 4.21Å; E263-D287 CarbonylContact O-C 3.55Å; E263-L288 PolarHBondContact O-N 3.37Å; E263-E291 WeakPolarHBondContact O-CG 3.42Å
264	N	94	Very high	97.1	Very high	14 Å²	14	38.7 Å²	38.7	8%	0.075	19%	0.193	C	C	.	.	S	Bend	trans	-144.8	169.6	170.8	61.8	39.4	0	0	0	111.7	R237 E266 G267 V268 E291	R237-N264 VanDerWaalsContact CG-ND2 3.34Å; R237-N264 WeakPolarHBondContact CG-ND2 3.46Å; N264-E266 VanDerWaalsContact C-N 3.34Å; N264-E266 PolarHBondContact O-N 2.6Å; N264-E266 PolarHBondContact OD1-N 3.2Å; N264-G267 PolarHBondContact O-N 2.87Å; N264-G267 PolarHBondContact OD1-N 2.75Å; N264-V268 WeakPolarHBondContact O-CG2 3.49Å; N264-V268 PolarHBondContact O-N 3.1Å; N264-E291 HydrophobicContact CB-CB 4.11Å; N264-E291 HydrophobicContact CB-CG 3.92Å
265	H	93.4	Very high	97.2	Very high	63 Å²	63	33.6 Å²	33.6	29%	0.292	17%	0.169	S	C	.	.	H	α-helix	trans	-59.1	-43.1	-177.7	-164	124.1	0	0	0	112.6	H204 V268 Q269 I292	H204-H265 AromaticContact CE1-ND1 3.75Å; H204-H265 AromaticContact ND1-ND1 3.87Å; H265-V268 WeakPolarHBondContact O-CB 3.25Å; H265-V268 PolarHBondContact O-N 3.35Å; H265-Q269 PolarHBondContact CD2-NE2 3.4Å; H265-Q269 PolarHBondContact NE2-NE2 3.33Å; H265-Q269 VanDerWaalsContact NE2-NE2 3.14Å; H265-Q269 PolarHBondContact O-N 2.83Å; H265-I292 HydrophobicContact CB-CG2 3.95Å
266	E	93.2	Very high	97.4	Very high	71 Å²	71	35.8 Å²	35.8	33%	0.332	18%	0.177	S	C	.	.	H	α-helix	trans	-65.3	-41.9	-177.9	-174.7	172	-166.5	0	0	111.8	R237 N264 V268 Q269 N270	R237-E266 HydrophobicContact CB-CB 4.33Å; R237-E266 HydrophobicContact CB-CG 3.97Å; R237-E266 WeakPolarHBondContact CD-OE2 3.45Å; R237-E266 HydrophobicContact CG-CB 4.3Å; R237-E266 HydrophobicContact CG-CG 4.43Å; N264-E266 VanDerWaalsContact C-N 3.34Å; N264-E266 PolarHBondContact O-N 2.6Å; N264-E266 PolarHBondContact OD1-N 3.2Å; E266-V268 VanDerWaalsContact C-N 3.29Å; E266-V268 PolarHBondContact O-N 3.34Å; E266-Q269 WeakPolarHBondContact O-CB 3.44Å; E266-Q269 PolarHBondContact O-N 3.14Å; E266-Q269 VanDerWaalsContact O-N 3.13Å; E266-N270 PolarHBondContact O-N 3.48Å
267	G	96	Very high	97.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.8	-37.4	173.7	0	0	0	0	0	112.5	N264 V271	N264-G267 PolarHBondContact O-N 2.87Å; N264-G267 PolarHBondContact OD1-N 2.75Å; G267-V271 WeakPolarHBondContact O-CA 3.29Å; G267-V271 WeakPolarHBondContact O-CB 3.38Å; G267-V271 PolarHBondContact O-N 3.25Å; G267-V271 VanDerWaalsContact O-N 3.09Å
268	V	97.4	Very high	97.4	Very high	40 Å²	40	37.4 Å²	37.4	24%	0.242	19%	0.185	C	C	.	.	H	α-helix	trans	-65	-41.4	173.5	174.8	0	0	0	0	111.4	I262 N264 H265 E266 V271 L288 A300	I262-V268 HydrophobicContact CG2-CB 4.48Å; I262-V268 HydrophobicContact CG2-CG2 3.68Å; N264-V268 WeakPolarHBondContact O-CG2 3.49Å; N264-V268 PolarHBondContact O-N 3.1Å; H265-V268 WeakPolarHBondContact O-CB 3.25Å; H265-V268 PolarHBondContact O-N 3.35Å; E266-V268 VanDerWaalsContact C-N 3.29Å; E266-V268 PolarHBondContact O-N 3.34Å; V268-V271 WeakPolarHBondContact O-CG1 3.46Å; V268-L288 HydrophobicContact CG2-CD1 3.75Å; V268-A300 HydrophobicContact CG2-CB 4.36Å
269	Q	96.4	Very high	97.4	Very high	132 Å²	132	39 Å²	39	62%	0.617	19%	0.194	S	C	*	.	H	α-helix	trans	-65.3	-43.3	178.2	-72.6	-178.6	-22.5	0	0	112	H265 E266 V271	H265-Q269 PolarHBondContact CD2-NE2 3.4Å; H265-Q269 PolarHBondContact NE2-NE2 3.33Å; H265-Q269 VanDerWaalsContact NE2-NE2 3.14Å; H265-Q269 PolarHBondContact O-N 2.83Å; E266-Q269 WeakPolarHBondContact O-CB 3.44Å; E266-Q269 PolarHBondContact O-N 3.14Å; E266-Q269 VanDerWaalsContact O-N 3.13Å; Q269-V271 VanDerWaalsContact C-N 3.3Å; Q269-V271 PolarHBondContact O-N 2.85Å
270	N	97.5	Very high	97.4	Very high	49 Å²	49	39 Å²	39	26%	0.262	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	10.9	-176.4	-63.6	-26.3	0	0	0	113.4	R237 E266 N272 D273 I274	R237-N270 WeakPolarHBondContact O-CB 3.34Å; R237-N270 PolarHBondContact O-ND2 3.06Å; E266-N270 PolarHBondContact O-N 3.48Å; N270-N272 PolarHBondContact O-N 3.1Å; N270-N272 VanDerWaalsContact O-N 3.09Å; N270-D273 PolarHBondContact O-N 3.29Å; N270-D273 VanDerWaalsContact O-N 3.11Å; N270-I274 HydrophobicContact CB-CD1 3.98Å; N270-I274 HydrophobicContact CB-CG1 4.36Å; N270-I274 WeakPolarHBondContact O-CG1 3.29Å; N270-I274 PolarHBondContact O-N 2.97Å
271	V	98.5	Very high	97.4	Very high	1 Å²	1	39 Å²	39	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-61.5	-28.4	-166.9	73.5	0	0	0	0	113.9	I262 G267 V268 Q269 I275 I304 K307	I262-V271 HydrophobicContact CD1-CG2 4.24Å; I262-V271 HydrophobicContact CG1-CG2 4.08Å; G267-V271 WeakPolarHBondContact O-CA 3.29Å; G267-V271 WeakPolarHBondContact O-CB 3.38Å; G267-V271 PolarHBondContact O-N 3.25Å; G267-V271 VanDerWaalsContact O-N 3.09Å; V268-V271 WeakPolarHBondContact O-CG1 3.46Å; Q269-V271 VanDerWaalsContact C-N 3.3Å; Q269-V271 PolarHBondContact O-N 2.85Å; V271-I275 HydrophobicContact CG2-CD1 3.93Å; V271-I275 HydrophobicContact CG2-CG1 4.18Å; V271-I275 VanDerWaalsContact O-CB 3.29Å; V271-I275 WeakPolarHBondContact O-CB 3.49Å; V271-I275 WeakPolarHBondContact O-CD1 3.39Å; V271-I275 WeakPolarHBondContact O-CG1 3.45Å; V271-I275 PolarHBondContact O-N 2.82Å; V271-I304 HydrophobicContact CG2-CD1 4.48Å; V271-I304 HydrophobicContact CG2-CG1 4.02Å; V271-I304 HydrophobicContact CG2-CG2 4.27Å; V271-K307 HydrophobicContact CG1-CD 3.84Å
272	N	98.4	Very high	97.4	Very high	92 Å²	92	38.3 Å²	38.3	49%	0.492	19%	0.191	S	C	.	.	H	α-helix	trans	-63.7	-49.1	177.2	-68.2	-8.4	0	0	0	111.1	N270 I275 E276 K307	N270-N272 PolarHBondContact O-N 3.1Å; N270-N272 VanDerWaalsContact O-N 3.09Å; N272-I275 PolarHBondContact O-N 3.27Å; N272-E276 PolarHBondContact O-N 3.4Å; N272-K307 VanDerWaalsContact OD1-CD 3.28Å; N272-K307 WeakPolarHBondContact OD1-CD 3.11Å; N272-K307 VanDerWaalsContact OD1-CE 3.25Å; N272-K307 WeakPolarHBondContact OD1-CE 3.44Å; N272-K307 PolarHBondContact OD1-NZ 2.92Å
273	D	98.5	Very high	97.4	Very high	81 Å²	81	38.3 Å²	38.3	43%	0.433	19%	0.191	S	C	.	.	H	α-helix	trans	-71.4	-34.9	-178.3	-55.7	-18.5	0	0	0	110.8	P239 N270 E276 Q277	P239-D273 HydrophobicContact CB-CB 4.41Å; P239-D273 HydrophobicContact CG-CB 4Å; N270-D273 PolarHBondContact O-N 3.29Å; N270-D273 VanDerWaalsContact O-N 3.11Å; D273-E276 PolarHBondContact O-N 2.9Å; D273-Q277 PolarHBondContact O-N 3.5Å
274	I	98.8	Very high	97.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.8	-45.7	172.7	-63.2	163.6	0	0	0	110.2	V236 V242 A260 I262 N270 E276 Q277 A278 I281	V236-I274 HydrophobicContact CG1-CD1 4.09Å; V236-I274 HydrophobicContact CG1-CG1 4.14Å; V236-I274 HydrophobicContact CG1-CG2 3.74Å; V242-I274 HydrophobicContact CG2-CG2 4.23Å; A260-I274 HydrophobicContact CB-CG2 3.55Å; I262-I274 HydrophobicContact CD1-CD1 3.75Å; I262-I274 HydrophobicContact CD1-CG2 4.04Å; N270-I274 HydrophobicContact CB-CD1 3.98Å; N270-I274 HydrophobicContact CB-CG1 4.36Å; N270-I274 WeakPolarHBondContact O-CG1 3.29Å; N270-I274 PolarHBondContact O-N 2.97Å; I274-E276 PolarHBondContact O-N 3.02Å; I274-Q277 PolarHBondContact O-N 3Å; I274-A278 HydrophobicContact CG2-CB 4.47Å; I274-A278 VanDerWaalsContact O-CB 3.26Å; I274-A278 WeakPolarHBondContact O-CB 3.46Å; I274-A278 PolarHBondContact O-N 3.48Å; I274-I281 HydrophobicContact CG2-CD1 3.91Å
275	I	98.7	Very high	97.7	Very high	9 Å²	9	39.3 Å²	39.3	5%	0.046	19%	0.194	C	C	.	.	H	α-helix	trans	-57.8	-40.4	175.4	-77.2	166.6	0	0	0	110.2	V271 N272 Q277 I281 K307 A311 K313	V271-I275 HydrophobicContact CG2-CD1 3.93Å; V271-I275 HydrophobicContact CG2-CG1 4.18Å; V271-I275 VanDerWaalsContact O-CB 3.29Å; V271-I275 WeakPolarHBondContact O-CB 3.49Å; V271-I275 WeakPolarHBondContact O-CD1 3.39Å; V271-I275 WeakPolarHBondContact O-CG1 3.45Å; V271-I275 PolarHBondContact O-N 2.82Å; N272-I275 PolarHBondContact O-N 3.27Å; I275-Q277 VanDerWaalsContact C-N 3.34Å; I275-Q277 PolarHBondContact O-N 3.42Å; I275-I281 HydrophobicContact CD1-CG1 4.38Å; I275-I281 HydrophobicContact CG1-CD1 3.83Å; I275-I281 HydrophobicContact CG1-CG1 3.53Å; I275-K307 HydrophobicContact CD1-CB 3.6Å; I275-A311 HydrophobicContact CG2-CB 3.57Å; I275-K313 HydrophobicContact CG2-CD 4.28Å; I275-K313 WeakPolarHBondContact O-CD 3.42Å; I275-K313 VanDerWaalsContact O-CE 3.27Å; I275-K313 WeakPolarHBondContact O-CE 3.24Å; I275-K313 PolarHBondContact O-NZ 3.38Å
276	E	98.1	Very high	97.7	Very high	134 Å²	134	37.4 Å²	37.4	63%	0.626	19%	0.191	S	C	*	.	H	α-helix	trans	-61.7	-41.8	179.3	-169.8	179.2	-172.6	0	0	112.3	N272 D273 I274 K313	N272-E276 PolarHBondContact O-N 3.4Å; D273-E276 PolarHBondContact O-N 2.9Å; I274-E276 PolarHBondContact O-N 3.02Å; E276-K313 PolarHBondContact O-NZ 3.36Å
277	Q	98.3	Very high	97.7	Very high	80 Å²	80	36.3 Å²	36.3	37%	0.374	19%	0.188	S	C	.	.	H	α-helix	trans	-84.8	-36.4	-177.5	-62.1	-56.6	-54	0	0	114.6	P239 V242 D273 I274 I275	P239-Q277 HydrophobicContact CB-CB 4.28Å; P239-Q277 HydrophobicContact CB-CG 3.49Å; P239-Q277 VanDerWaalsContact CB-CG 3.49Å; V242-Q277 HydrophobicContact CB-CB 4.22Å; V242-Q277 HydrophobicContact CG1-CB 4.14Å; D273-Q277 PolarHBondContact O-N 3.5Å; I274-Q277 PolarHBondContact O-N 3Å; I275-Q277 VanDerWaalsContact C-N 3.34Å; I275-Q277 PolarHBondContact O-N 3.42Å
278	A	98.5	Very high	97.8	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.008	19%	0.188	C	C	.	.	S	Bend	trans	-75.4	155.5	-176.4	0	0	0	0	0	112	V242 A260 I274 G280 I281 K313	V242-A278 HydrophobicContact CG1-CB 4.21Å; V242-A278 HydrophobicContact CG2-CB 4.31Å; A260-A278 HydrophobicContact CB-CB 3.92Å; I274-A278 HydrophobicContact CG2-CB 4.47Å; I274-A278 VanDerWaalsContact O-CB 3.26Å; I274-A278 WeakPolarHBondContact O-CB 3.46Å; I274-A278 PolarHBondContact O-N 3.48Å; A278-G280 VanDerWaalsContact C-N 3.27Å; A278-G280 WeakPolarHBondContact CB-O 3.44Å; A278-I281 HydrophobicContact CB-CD1 4.29Å; A278-K313 VanDerWaalsContact O-CD 3.31Å; A278-K313 WeakPolarHBondContact O-CD 3.32Å; A278-K313 WeakPolarHBondContact O-CE 3.48Å; A278-K313 PolarHBondContact O-NZ 3.38Å
279	D	98.4	Very high	97.7	Very high	35 Å²	35	35.5 Å²	35.5	19%	0.187	19%	0.188	C	C	.	.	S	Bend	trans	-76.8	-18.7	172.9	-69.5	-81.6	0	0	0	112.1	R246 K257 I258 P314	R246-D279 IonicContact NH2-OD2 3.08Å; R246-D279 PolarHBondContact NH2-OD2 2.93Å; K257-D279 WeakPolarHBondContact CA-OD2 3.19Å; K257-D279 HydrophobicContact CB-CB 3.78Å; K257-D279 HydrophobicContact CD-CB 3.85Å; K257-D279 WeakPolarHBondContact CD-OD1 3.42Å; K257-D279 HydrophobicContact CG-CB 4.37Å; K257-D279 IonicContact NZ-OD1 2.73Å; K257-D279 PolarHBondContact NZ-OD1 3.32Å; I258-D279 PolarHBondContact N-OD2 2.97Å; I258-D279 PolarHBondContact O-N 2.98Å; D279-P314 WeakPolarHBondContact O-CD 3.29Å
280	G	98.7	Very high	97.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	179.7	176.7	0	0	0	0	0	111.5	I258 I259 A260 A278 P314	I258-G280 PolarHBondContact O-N 3.48Å; I259-G280 WeakPolarHBondContact CA-O 3.46Å; A260-G280 PolarHBondContact N-O 3.39Å; A278-G280 VanDerWaalsContact C-N 3.27Å; A278-G280 WeakPolarHBondContact CB-O 3.44Å; G280-P314 CarbonylContact C-O 3.41Å; G280-P314 VanDerWaalsContact CA-O 3.24Å; G280-P314 WeakPolarHBondContact CA-O 3.34Å
281	I	98.9	Very high	97.5	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.7	-177.7	-59.3	-61.9	0	0	0	111.4	I259 A260 I262 I274 I275 A278 I304 C308 P314 V315 I316	I259-I281 VanDerWaalsContact CG2-C 3.47Å; A260-I281 HydrophobicContact CB-CD1 3.95Å; A260-I281 CarbonylContact O-C 3.57Å; A260-I281 WeakPolarHBondContact O-CA 3.13Å; I262-I281 HydrophobicContact CG1-CD1 4.49Å; I262-I281 HydrophobicContact CG1-CG2 3.69Å; I274-I281 HydrophobicContact CG2-CD1 3.91Å; I275-I281 HydrophobicContact CD1-CG1 4.38Å; I275-I281 HydrophobicContact CG1-CD1 3.83Å; I275-I281 HydrophobicContact CG1-CG1 3.53Å; A278-I281 HydrophobicContact CB-CD1 4.29Å; I281-I304 HydrophobicContact CB-CG2 4.38Å; I281-I304 HydrophobicContact CG2-CG2 3.55Å; I281-C308 WeakPolarHBondContact CG1-SG 3.42Å; I281-P314 PolarHBondContact N-O 2.66Å; I281-V315 HydrophobicContact CB-CG2 4.3Å; I281-V315 HydrophobicContact CG2-CG2 4.49Å; I281-V315 CarbonylContact O-C 3.56Å; I281-V315 VanDerWaalsContact O-CA 3.25Å; I281-V315 WeakPolarHBondContact O-CA 3.47Å; I281-I316 PolarHBondContact O-N 2.9Å
282	M	98.9	Very high	97.3	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127	162.3	179.4	-178.4	-63.3	0	0	109.2	F232 I259 A260 K261 I262 A284 I316 A318 M351	F232-M282 HydrophobicContact CB-CE 4.29Å; F232-M282 HydrophobicContact CD1-CE 4.3Å; F232-M282 HydrophobicContact CD2-CE 3.3Å; F232-M282 HydrophobicContact CE1-CE 4.43Å; F232-M282 HydrophobicContact CE2-CE 3.48Å; F232-M282 VanDerWaalsContact CE2-CE 3.48Å; F232-M282 HydrophobicContact CG-CE 3.73Å; F232-M282 HydrophobicContact CZ-CE 4.05Å; I259-M282 HydrophobicContact CG2-CB 4.14Å; A260-M282 PolarHBondContact O-N 2.91Å; K261-M282 WeakPolarHBondContact CA-O 3.2Å; K261-M282 HydrophobicContact CD-SD 4.26Å; K261-M282 HydrophobicContact CG-CB 3.99Å; K261-M282 HydrophobicContact CG-CG 4.34Å; K261-M282 HydrophobicContact CG-SD 3.9Å; I262-M282 PolarHBondContact N-O 3.33Å; M282-A284 HydrophobicContact CG-CB 4.32Å; M282-A284 PolarHBondContact O-N 3.47Å; M282-A284 HydrophobicContact SD-CB 4.39Å; M282-I316 WeakPolarHBondContact CA-O 3.49Å; M282-I316 HydrophobicContact CB-CB 4.15Å; M282-I316 HydrophobicContact CB-CD1 4.44Å; M282-I316 HydrophobicContact CE-CB 4.41Å; M282-I316 HydrophobicContact CE-CD1 3.77Å; M282-I316 HydrophobicContact CE-CG2 4.14Å; M282-I316 HydrophobicContact CG-CB 4.09Å; M282-I316 HydrophobicContact CG-CG2 4.25Å; M282-A318 HydrophobicContact CG-CB 3.67Å; M282-A318 HydrophobicContact SD-CB 3.69Å; M282-M351 HydrophobicContact CE-CE 4.18Å; M282-M351 HydrophobicContact CE-SD 3.59Å; M282-M351 VanDerWaalsContact CE-SD 3.59Å; M282-M351 HydrophobicContact SD-CE 3.93Å; M282-M351 HydrophobicContact SD-SD 4.13Å
283	V	98.9	Very high	97.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	93.5	166.8	-172.4	0	0	0	0	106.8	R285 L288 Q301 I304 I305 V315 I316 A318	V283-R285 HydrophobicContact CG1-CG 3.89Å; V283-R285 PolarHBondContact O-N 3.25Å; V283-L288 HydrophobicContact CG1-CD2 4.24Å; V283-Q301 HydrophobicContact CG1-CB 4.04Å; V283-Q301 HydrophobicContact CG1-CG 4.36Å; V283-I304 HydrophobicContact CG2-CB 4.04Å; V283-I304 HydrophobicContact CG2-CD1 4.4Å; V283-I304 HydrophobicContact CG2-CG2 3.78Å; V283-I305 HydrophobicContact CG2-CG1 4.46Å; V283-V315 HydrophobicContact CG2-CG2 4.21Å; V283-I316 PolarHBondContact N-O 3.47Å; V283-A318 PolarHBondContact O-N 3.05Å
284	A	98.1	Very high	96.9	Very high	3 Å²	3	27 Å²	27	3%	0.025	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	87.8	-175.9	0	0	0	0	0	109.9	K261 I262 E263 M282 G286 L288	K261-A284 HydrophobicContact CB-CB 4.11Å; K261-A284 HydrophobicContact CG-CB 4.49Å; I262-A284 PolarHBondContact O-N 3Å; E263-A284 HydrophobicContact CB-CB 3.91Å; E263-A284 WeakPolarHBondContact OE2-CB 3.27Å; M282-A284 HydrophobicContact CG-CB 4.32Å; M282-A284 PolarHBondContact O-N 3.47Å; M282-A284 HydrophobicContact SD-CB 4.39Å; A284-G286 VanDerWaalsContact C-N 3.31Å; A284-G286 PolarHBondContact O-N 3.24Å; A284-L288 VanDerWaalsContact O-CB 3.24Å; A284-L288 WeakPolarHBondContact O-CB 3.43Å; A284-L288 PolarHBondContact O-N 3.23Å
285	R	98.2	Very high	96.8	Very high	32 Å²	32	33.1 Å²	33.1	12%	0.121	19%	0.186	C	C	.	.	H	α-helix	trans	-72.2	-18.9	-163.6	-59.1	-179.9	-54.2	169.9	10.5	115.1	V283 G289 V297 Q301 A318 T319 D338	V283-R285 HydrophobicContact CG1-CG 3.89Å; V283-R285 PolarHBondContact O-N 3.25Å; R285-G289 PolarHBondContact O-N 3.4Å; R285-V297 HydrophobicContact CB-CG1 4.11Å; R285-V297 HydrophobicContact CG-CG1 4.03Å; R285-Q301 VanDerWaalsContact NH1-OE1 3.13Å; R285-A318 WeakPolarHBondContact CB-O 3.2Å; R285-A318 WeakPolarHBondContact CG-O 3.35Å; R285-A318 PolarHBondContact NE-O 3.47Å; R285-T319 PolarHBondContact NE-O 2.82Å; R285-T319 PolarHBondContact NH2-O 2.88Å; R285-D338 IonicContact CZ-OD1 3.86Å; R285-D338 IonicContact CZ-OD2 2.67Å; R285-D338 VanDerWaalsContact NH1-CG 3.28Å; R285-D338 IonicContact NH1-OD1 3.61Å; R285-D338 PolarHBondContact NH1-OD1 3.03Å; R285-D338 IonicContact NH1-OD2 3.6Å; R285-D338 PolarHBondContact NH1-OD2 3.37Å; R285-D338 IonicContact NH2-OD1 3.82Å; R285-D338 IonicContact NH2-OD2 2.86Å; R285-D338 PolarHBondContact NH2-OD2 2.68Å
286	G	93	Very high	96.8	Very high	23 Å²	23	38.3 Å²	38.3	24%	0.237	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-73.5	177.9	0	0	0	0	0	110.6	A284 L288 G289	A284-G286 VanDerWaalsContact C-N 3.31Å; A284-G286 PolarHBondContact O-N 3.24Å; G286-L288 VanDerWaalsContact C-N 3.28Å; G286-L288 PolarHBondContact O-N 3.37Å; G286-G289 PolarHBondContact O-N 3.03Å
287	D	94.2	Very high	96.8	Very high	48 Å²	48	32.8 Å²	32.8	26%	0.257	18%	0.184	S	C	.	.	H	α-helix	trans	-59.4	-37.7	175.9	-74.3	-76.6	0	0	0	112.5	N201 F235 E263 G289 I290 E291	N201-D287 PolarHBondContact ND2-OD1 3.27Å; F235-D287 HydrophobicContact CE1-CB 4.09Å; F235-D287 HydrophobicContact CZ-CB 4.21Å; E263-D287 HydrophobicContact CB-CB 3.82Å; E263-D287 HydrophobicContact CG-CB 4.21Å; E263-D287 CarbonylContact O-C 3.55Å; D287-G289 VanDerWaalsContact C-N 3.3Å; D287-G289 PolarHBondContact O-N 2.75Å; D287-I290 WeakPolarHBondContact O-CB 3.26Å; D287-I290 PolarHBondContact O-N 3.18Å; D287-E291 WeakPolarHBondContact O-CB 3.44Å; D287-E291 WeakPolarHBondContact O-CG 3.26Å; D287-E291 PolarHBondContact O-N 2.74Å
288	L	96.7	Very high	96.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.3	-40.7	177.3	-169.2	58.5	0	0	0	112.3	E263 V268 V283 A284 G286 I290 E291 I292 V297 A300	E263-L288 PolarHBondContact O-N 3.37Å; V268-L288 HydrophobicContact CG2-CD1 3.75Å; V283-L288 HydrophobicContact CG1-CD2 4.24Å; A284-L288 VanDerWaalsContact O-CB 3.24Å; A284-L288 WeakPolarHBondContact O-CB 3.43Å; A284-L288 PolarHBondContact O-N 3.23Å; G286-L288 VanDerWaalsContact C-N 3.28Å; G286-L288 PolarHBondContact O-N 3.37Å; L288-I290 PolarHBondContact O-N 2.67Å; L288-E291 PolarHBondContact O-N 2.69Å; L288-I292 HydrophobicContact CD1-CD1 3.99Å; L288-I292 HydrophobicContact CD1-CG1 3.9Å; L288-I292 HydrophobicContact CD1-CG2 4.44Å; L288-I292 HydrophobicContact CD2-CD1 4.48Å; L288-I292 HydrophobicContact CG-CD1 3.98Å; L288-I292 HydrophobicContact CG-CG1 3.95Å; L288-I292 WeakPolarHBondContact O-CG1 3.43Å; L288-I292 PolarHBondContact O-N 2.97Å; L288-V297 HydrophobicContact CD2-CG1 4.46Å; L288-A300 HydrophobicContact CD2-CB 4.1Å
289	G	96.3	Very high	96.9	Very high	24 Å²	24	38.5 Å²	38.5	25%	0.247	21%	0.214	C	C	.	.	H	α-helix	trans	-71	-8.1	178.9	0	0	0	0	0	114.8	R285 G286 D287 I292 V297	R285-G289 PolarHBondContact O-N 3.4Å; G286-G289 PolarHBondContact O-N 3.03Å; D287-G289 VanDerWaalsContact C-N 3.3Å; D287-G289 PolarHBondContact O-N 2.75Å; G289-I292 CarbonylContact C-O 3.49Å; G289-V297 VanDerWaalsContact CA-CG2 3.46Å
290	I	95	Very high	96.9	Very high	22 Å²	22	37.2 Å²	37.2	11%	0.113	21%	0.208	C	C	.	.	H	α-helix	trans	-97.2	-42.4	171.6	-52.6	165.9	0	0	0	109.6	Y166 N201 P203 D287 L288	Y166-I290 HydrophobicContact CD1-CG2 4.4Å; Y166-I290 HydrophobicContact CD2-CG2 4.15Å; Y166-I290 HydrophobicContact CG-CG2 3.78Å; N201-I290 HydrophobicContact CB-CB 4.41Å; N201-I290 HydrophobicContact CB-CG2 3.54Å; P203-I290 VanDerWaalsContact CG-O 3.3Å; P203-I290 WeakPolarHBondContact CG-O 3.27Å; D287-I290 WeakPolarHBondContact O-CB 3.26Å; D287-I290 PolarHBondContact O-N 3.18Å; L288-I290 PolarHBondContact O-N 2.67Å
291	E	94.1	Very high	96.9	Very high	18 Å²	18	37.7 Å²	37.7	8%	0.084	21%	0.21	C	C	.	.	H	α-helix	trans	-76.1	-24.9	-176.5	-73.6	-68.8	144.8	0	0	114.4	N201 L202 E263 N264 D287 L288	N201-E291 VanDerWaalsContact CB-OE1 3.28Å; N201-E291 WeakPolarHBondContact CB-OE1 3.25Å; N201-E291 PolarHBondContact ND2-OE1 3.44Å; L202-E291 PolarHBondContact N-OE1 3.41Å; E263-E291 WeakPolarHBondContact O-CG 3.42Å; N264-E291 HydrophobicContact CB-CB 4.11Å; N264-E291 HydrophobicContact CB-CG 3.92Å; D287-E291 WeakPolarHBondContact O-CB 3.44Å; D287-E291 WeakPolarHBondContact O-CG 3.26Å; D287-E291 PolarHBondContact O-N 2.74Å; L288-E291 PolarHBondContact O-N 2.69Å
292	I	95.3	Very high	96.9	Very high	16 Å²	16	41.6 Å²	41.6	8%	0.082	23%	0.227	C	C	.	.	S	Bend	trans	-125.7	157.2	167.2	63.9	164.4	0	0	0	109.2	H265 L288 G289 A294 K296 V297 A300	H265-I292 HydrophobicContact CB-CG2 3.95Å; L288-I292 HydrophobicContact CD1-CD1 3.99Å; L288-I292 HydrophobicContact CD1-CG1 3.9Å; L288-I292 HydrophobicContact CD1-CG2 4.44Å; L288-I292 HydrophobicContact CD2-CD1 4.48Å; L288-I292 HydrophobicContact CG-CD1 3.98Å; L288-I292 HydrophobicContact CG-CG1 3.95Å; L288-I292 WeakPolarHBondContact O-CG1 3.43Å; L288-I292 PolarHBondContact O-N 2.97Å; G289-I292 CarbonylContact C-O 3.49Å; I292-A294 PolarHBondContact O-N 2.87Å; I292-K296 HydrophobicContact CD1-CB 4.22Å; I292-V297 HydrophobicContact CD1-CG2 4.35Å; I292-V297 HydrophobicContact CG1-CG2 4.25Å; I292-A300 HydrophobicContact CD1-CB 4.11Å
293	P	93.6	Very high	96.9	Very high	51 Å²	51	44 Å²	44	33%	0.331	24%	0.244	S	C	.	.			trans	-52.9	132.4	176.5	-25.7	33.8	0	0	0	111.5	E295 K296	P293-E295 VanDerWaalsContact CB-CD 3.49Å; P293-E295 VanDerWaalsContact CB-OE1 3.24Å; P293-E295 WeakPolarHBondContact CB-OE1 3.42Å; P293-E295 WeakPolarHBondContact CB-OE2 3.37Å; P293-E295 PolarHBondContact O-N 2.81Å; P293-E295 VanDerWaalsContact O-N 3.16Å; P293-K296 HydrophobicContact CB-CD 4.41Å; P293-K296 HydrophobicContact CB-CG 4.25Å; P293-K296 HydrophobicContact CG-CD 4.28Å; P293-K296 WeakPolarHBondContact O-CA 3.32Å; P293-K296 WeakPolarHBondContact O-CB 3.32Å; P293-K296 PolarHBondContact O-N 2.94Å
294	A	94.6	Very high	96.9	Very high	68 Å²	68	44 Å²	44	56%	0.562	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-56.1	-36.3	-172.1	0	0	0	0	0	112.6	I292 K296 V297	I292-A294 PolarHBondContact O-N 2.87Å; A294-K296 PolarHBondContact O-N 3.18Å; A294-K296 VanDerWaalsContact O-N 3.14Å; A294-V297 WeakPolarHBondContact O-CB 3.43Å; A294-V297 WeakPolarHBondContact O-CG2 3.43Å; A294-V297 PolarHBondContact O-N 2.73Å; A294-V297 VanDerWaalsContact O-N 3.17Å
295	E	97.1	Very high	96.9	Very high	129 Å²	129	43.9 Å²	43.9	60%	0.603	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-66.6	-11.3	176.3	74.6	-78.5	-175.8	0	0	113.8	P293 F298	P293-E295 VanDerWaalsContact CB-CD 3.49Å; P293-E295 VanDerWaalsContact CB-OE1 3.24Å; P293-E295 WeakPolarHBondContact CB-OE1 3.42Å; P293-E295 WeakPolarHBondContact CB-OE2 3.37Å; P293-E295 PolarHBondContact O-N 2.81Å; P293-E295 VanDerWaalsContact O-N 3.16Å; E295-F298 WeakPolarHBondContact O-CD1 3.41Å; E295-F298 WeakPolarHBondContact O-CE1 3.41Å
296	K	98.1	Very high	96.9	Very high	118 Å²	118	44.6 Å²	44.6	51%	0.513	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-98.2	-9.8	176.1	-60.9	-168.8	179.8	-159.1	0	113.5	I292 P293 A294 F298 V299 A300	I292-K296 HydrophobicContact CD1-CB 4.22Å; P293-K296 HydrophobicContact CB-CD 4.41Å; P293-K296 HydrophobicContact CB-CG 4.25Å; P293-K296 HydrophobicContact CG-CD 4.28Å; P293-K296 WeakPolarHBondContact O-CA 3.32Å; P293-K296 WeakPolarHBondContact O-CB 3.32Å; P293-K296 PolarHBondContact O-N 2.94Å; A294-K296 PolarHBondContact O-N 3.18Å; A294-K296 VanDerWaalsContact O-N 3.14Å; K296-F298 VanDerWaalsContact C-N 3.28Å; K296-F298 PolarHBondContact O-N 3.22Å; K296-V299 WeakPolarHBondContact O-CB 3.44Å; K296-V299 PolarHBondContact O-N 2.65Å; K296-V299 VanDerWaalsContact O-N 3.07Å; K296-A300 PolarHBondContact O-N 3.08Å; K296-A300 VanDerWaalsContact O-N 3.14Å
297	V	98.6	Very high	97.2	Very high	18 Å²	18	46.5 Å²	46.5	11%	0.109	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-39.8	-178.1	176.2	0	0	0	0	111.4	R285 L288 G289 I292 A294 V299 A300 Q301	R285-V297 HydrophobicContact CB-CG1 4.11Å; R285-V297 HydrophobicContact CG-CG1 4.03Å; L288-V297 HydrophobicContact CD2-CG1 4.46Å; G289-V297 VanDerWaalsContact CA-CG2 3.46Å; I292-V297 HydrophobicContact CD1-CG2 4.35Å; I292-V297 HydrophobicContact CG1-CG2 4.25Å; A294-V297 WeakPolarHBondContact O-CB 3.43Å; A294-V297 WeakPolarHBondContact O-CG2 3.43Å; A294-V297 PolarHBondContact O-N 2.73Å; A294-V297 VanDerWaalsContact O-N 3.17Å; V297-V299 VanDerWaalsContact C-N 3.28Å; V297-V299 PolarHBondContact O-N 3.33Å; V297-A300 PolarHBondContact O-N 3.46Å; V297-Q301 WeakPolarHBondContact O-CB 3.31Å; V297-Q301 PolarHBondContact O-N 3.05Å
298	F	98.6	Very high	97.4	Very high	121 Å²	121	44.2 Å²	44.2	53%	0.531	25%	0.246	S	C	.	.	H	α-helix	trans	-64.8	-33.3	178.7	84.7	-90.2	0	0	0	112.4	E295 K296 K302	E295-F298 WeakPolarHBondContact O-CD1 3.41Å; E295-F298 WeakPolarHBondContact O-CE1 3.41Å; K296-F298 VanDerWaalsContact C-N 3.28Å; K296-F298 PolarHBondContact O-N 3.22Å; F298-K302 HydrophobicContact CD2-CD 4.37Å; F298-K302 WeakPolarHBondContact O-CB 3.45Å; F298-K302 WeakPolarHBondContact O-CG 3.43Å; F298-K302 PolarHBondContact O-N 2.84Å
299	V	98.7	Very high	97.4	Very high	81 Å²	81	44.6 Å²	44.6	49%	0.491	25%	0.247	S	C	.	.	H	α-helix	trans	-66.3	-46	175.4	-178	0	0	0	0	109.8	K296 V297 S303	K296-V299 WeakPolarHBondContact O-CB 3.44Å; K296-V299 PolarHBondContact O-N 2.65Å; K296-V299 VanDerWaalsContact O-N 3.07Å; V297-V299 VanDerWaalsContact C-N 3.28Å; V297-V299 PolarHBondContact O-N 3.33Å; V299-S303 VanDerWaalsContact O-CB 3.31Å; V299-S303 WeakPolarHBondContact O-CB 3.47Å; V299-S303 PolarHBondContact O-N 2.76Å; V299-S303 VanDerWaalsContact O-N 3.09Å
300	A	98.7	Very high	97.3	Very high	7 Å²	7	47.5 Å²	47.5	6%	0.058	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-48.6	176	0	0	0	0	0	111.4	V268 L288 I292 K296 V297 K302 S303 I304	V268-A300 HydrophobicContact CG2-CB 4.36Å; L288-A300 HydrophobicContact CD2-CB 4.1Å; I292-A300 HydrophobicContact CD1-CB 4.11Å; K296-A300 PolarHBondContact O-N 3.08Å; K296-A300 VanDerWaalsContact O-N 3.14Å; V297-A300 PolarHBondContact O-N 3.46Å; A300-K302 PolarHBondContact O-N 2.92Å; A300-S303 PolarHBondContact O-N 2.98Å; A300-I304 HydrophobicContact CB-CD1 4.46Å; A300-I304 WeakPolarHBondContact O-CB 3.34Å; A300-I304 WeakPolarHBondContact O-CG1 3.45Å; A300-I304 PolarHBondContact O-N 3.3Å
301	Q	98.9	Very high	97.4	Very high	10 Å²	10	48.8 Å²	48.8	5%	0.047	27%	0.271	C	S	.	.	H	α-helix	trans	-53.2	-56.2	177.7	176.7	179	-59.6	0	0	111.8	V283 R285 V297 S303 I304 I305 C317 D345	V283-Q301 HydrophobicContact CG1-CB 4.04Å; V283-Q301 HydrophobicContact CG1-CG 4.36Å; R285-Q301 VanDerWaalsContact NH1-OE1 3.13Å; V297-Q301 WeakPolarHBondContact O-CB 3.31Å; V297-Q301 PolarHBondContact O-N 3.05Å; Q301-S303 VanDerWaalsContact C-N 3.35Å; Q301-S303 PolarHBondContact O-N 3.42Å; Q301-I304 PolarHBondContact O-N 3.24Å; Q301-I305 HydrophobicContact CG-CD1 3.64Å; Q301-I305 HydrophobicContact CG-CG1 4.43Å; Q301-I305 WeakPolarHBondContact O-CB 3.36Å; Q301-I305 VanDerWaalsContact O-CG1 3.28Å; Q301-I305 WeakPolarHBondContact O-CG1 3.35Å; Q301-I305 PolarHBondContact O-N 3.04Å; Q301-C317 PolarHBondContact OE1-SG 3.3Å; Q301-D345 PolarHBondContact NE2-OD2 3.08Å
302	K	98.8	Very high	97.4	Very high	83 Å²	83	48.5 Å²	48.5	36%	0.361	27%	0.273	S	S	.	.	H	α-helix	trans	-59.9	-45.3	-177.7	-72.4	-177.9	-175.9	-55.5	0	111.7	F298 A300 A306 D345	F298-K302 HydrophobicContact CD2-CD 4.37Å; F298-K302 WeakPolarHBondContact O-CB 3.45Å; F298-K302 WeakPolarHBondContact O-CG 3.43Å; F298-K302 PolarHBondContact O-N 2.84Å; A300-K302 PolarHBondContact O-N 2.92Å; K302-A306 WeakPolarHBondContact O-CB 3.41Å; K302-A306 PolarHBondContact O-N 3.36Å; K302-D345 WeakPolarHBondContact CG-OD2 3.3Å; K302-D345 IonicContact NZ-OD1 2.86Å; K302-D345 PolarHBondContact NZ-OD1 2.91Å; K302-D345 IonicContact NZ-OD2 2.71Å; K302-D345 PolarHBondContact NZ-OD2 2.85Å
303	S	98.7	Very high	97.5	Very high	51 Å²	51	50 Å²	50	36%	0.357	28%	0.278	S	S	.	.	H	α-helix	trans	-61.6	-47.3	177.7	166.9	0	0	0	0	112.2	V299 A300 Q301 A306 K307	V299-S303 VanDerWaalsContact O-CB 3.31Å; V299-S303 WeakPolarHBondContact O-CB 3.47Å; V299-S303 PolarHBondContact O-N 2.76Å; V299-S303 VanDerWaalsContact O-N 3.09Å; A300-S303 PolarHBondContact O-N 2.98Å; Q301-S303 VanDerWaalsContact C-N 3.35Å; Q301-S303 PolarHBondContact O-N 3.42Å; S303-A306 PolarHBondContact O-N 2.92Å; S303-K307 WeakPolarHBondContact O-CB 3.44Å; S303-K307 VanDerWaalsContact O-CG 3.24Å; S303-K307 WeakPolarHBondContact O-CG 3.34Å; S303-K307 PolarHBondContact O-N 3.11Å
304	I	98.9	Very high	97.8	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-65.3	-46.1	-178.2	-66.2	170.3	0	0	0	110.5	I262 V271 I281 V283 A300 Q301 A306 K307 C308 V315	I262-I304 HydrophobicContact CB-CD1 4.06Å; I262-I304 HydrophobicContact CG1-CD1 4.46Å; I262-I304 HydrophobicContact CG2-CD1 3.72Å; V271-I304 HydrophobicContact CG2-CD1 4.48Å; V271-I304 HydrophobicContact CG2-CG1 4.02Å; V271-I304 HydrophobicContact CG2-CG2 4.27Å; I281-I304 HydrophobicContact CB-CG2 4.38Å; I281-I304 HydrophobicContact CG2-CG2 3.55Å; V283-I304 HydrophobicContact CG2-CB 4.04Å; V283-I304 HydrophobicContact CG2-CD1 4.4Å; V283-I304 HydrophobicContact CG2-CG2 3.78Å; A300-I304 HydrophobicContact CB-CD1 4.46Å; A300-I304 WeakPolarHBondContact O-CB 3.34Å; A300-I304 WeakPolarHBondContact O-CG1 3.45Å; A300-I304 PolarHBondContact O-N 3.3Å; Q301-I304 PolarHBondContact O-N 3.24Å; I304-A306 PolarHBondContact O-N 2.84Å; I304-K307 PolarHBondContact O-N 3.33Å; I304-C308 PolarHBondContact O-N 2.89Å; I304-C308 PolarHBondContact O-SG 2.86Å; I304-C308 VanDerWaalsContact O-SG 3.35Å; I304-V315 HydrophobicContact CG2-CG2 4.38Å
305	I	98.8	Very high	98	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.2	-50	178	-68.7	171.9	0	0	0	110.4	V283 Q301 K307 C308 K309 V315 D345 G346 A347	V283-I305 HydrophobicContact CG2-CG1 4.46Å; Q301-I305 HydrophobicContact CG-CD1 3.64Å; Q301-I305 HydrophobicContact CG-CG1 4.43Å; Q301-I305 WeakPolarHBondContact O-CB 3.36Å; Q301-I305 VanDerWaalsContact O-CG1 3.28Å; Q301-I305 WeakPolarHBondContact O-CG1 3.35Å; Q301-I305 PolarHBondContact O-N 3.04Å; I305-K307 PolarHBondContact O-N 3.32Å; I305-C308 WeakPolarHBondContact O-CB 3.18Å; I305-C308 PolarHBondContact O-N 3.46Å; I305-C308 VanDerWaalsContact O-N 3.17Å; I305-K309 HydrophobicContact CG2-CG 4.48Å; I305-K309 WeakPolarHBondContact O-CG 3.2Å; I305-K309 PolarHBondContact O-N 2.8Å; I305-V315 HydrophobicContact CB-CG1 4.16Å; I305-V315 HydrophobicContact CG1-CG1 3.99Å; I305-V315 HydrophobicContact CG1-CG2 3.86Å; I305-V315 HydrophobicContact CG2-CG1 3.87Å; I305-D345 HydrophobicContact CD1-CB 3.95Å; I305-D345 HydrophobicContact CG2-CB 4.38Å; I305-D345 WeakPolarHBondContact CG2-O 3.25Å; I305-G346 VanDerWaalsContact CG2-C 3.45Å; I305-A347 HydrophobicContact CD1-CB 4.21Å
306	A	98.2	Very high	98.1	Very high	48 Å²	48	38.4 Å²	38.4	40%	0.397	21%	0.208	S	C	.	.	H	α-helix	trans	-57.6	-46.6	178.5	0	0	0	0	0	111.8	K302 S303 I304 C308 K309 I310	K302-A306 WeakPolarHBondContact O-CB 3.41Å; K302-A306 PolarHBondContact O-N 3.36Å; S303-A306 PolarHBondContact O-N 2.92Å; I304-A306 PolarHBondContact O-N 2.84Å; A306-C308 VanDerWaalsContact C-N 3.34Å; A306-C308 PolarHBondContact O-N 3.07Å; A306-K309 WeakPolarHBondContact O-CB 3.18Å; A306-K309 PolarHBondContact O-N 3.48Å; A306-K309 VanDerWaalsContact O-N 3.11Å; A306-I310 VanDerWaalsContact O-CG1 3.32Å; A306-I310 WeakPolarHBondContact O-CG1 3.32Å; A306-I310 PolarHBondContact O-N 2.84Å
307	K	98.5	Very high	98.1	Very high	62 Å²	62	32.8 Å²	32.8	27%	0.27	18%	0.184	S	C	.	.	H	α-helix	trans	-60	-41	177	-71.7	171.2	175	-161.2	0	112.5	V271 N272 I275 S303 I304 I305 I310 A311	V271-K307 HydrophobicContact CG1-CD 3.84Å; N272-K307 VanDerWaalsContact OD1-CD 3.28Å; N272-K307 WeakPolarHBondContact OD1-CD 3.11Å; N272-K307 VanDerWaalsContact OD1-CE 3.25Å; N272-K307 WeakPolarHBondContact OD1-CE 3.44Å; N272-K307 PolarHBondContact OD1-NZ 2.92Å; I275-K307 HydrophobicContact CD1-CB 3.6Å; S303-K307 WeakPolarHBondContact O-CB 3.44Å; S303-K307 VanDerWaalsContact O-CG 3.24Å; S303-K307 WeakPolarHBondContact O-CG 3.34Å; S303-K307 PolarHBondContact O-N 3.11Å; I304-K307 PolarHBondContact O-N 3.33Å; I305-K307 PolarHBondContact O-N 3.32Å; K307-I310 PolarHBondContact O-N 3.44Å; K307-A311 WeakPolarHBondContact O-CB 3.42Å; K307-A311 PolarHBondContact O-N 3.45Å
308	C	98.5	Very high	98.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.2	-39.4	174.4	-69.8	0	0	0	0	112.3	I281 I304 I305 A306 A311 G312 K313 V315	I281-C308 WeakPolarHBondContact CG1-SG 3.42Å; I304-C308 PolarHBondContact O-N 2.89Å; I304-C308 PolarHBondContact O-SG 2.86Å; I304-C308 VanDerWaalsContact O-SG 3.35Å; I305-C308 WeakPolarHBondContact O-CB 3.18Å; I305-C308 PolarHBondContact O-N 3.46Å; I305-C308 VanDerWaalsContact O-N 3.17Å; A306-C308 VanDerWaalsContact C-N 3.34Å; A306-C308 PolarHBondContact O-N 3.07Å; C308-A311 CarbonylContact O-C 3.57Å; C308-A311 PolarHBondContact O-N 3.49Å; C308-G312 PolarHBondContact O-N 3.23Å; C308-K313 PolarHBondContact O-N 3.05Å; C308-V315 HydrophobicContact CB-CB 3.64Å; C308-V315 HydrophobicContact CB-CG1 3.96Å; C308-V315 HydrophobicContact CB-CG2 4.29Å
309	K	96.9	Very high	97.9	Very high	8 Å²	8	27.8 Å²	27.8	4%	0.035	16%	0.163	C	C	.	.	H	α-helix	trans	-61.8	-44.2	175	-68	-49.8	93.9	-155.2	0	111.6	I305 A306 A311 G312 K313 G346 D348 F385 I389	I305-K309 HydrophobicContact CG2-CG 4.48Å; I305-K309 WeakPolarHBondContact O-CG 3.2Å; I305-K309 PolarHBondContact O-N 2.8Å; A306-K309 WeakPolarHBondContact O-CB 3.18Å; A306-K309 PolarHBondContact O-N 3.48Å; A306-K309 VanDerWaalsContact O-N 3.11Å; K309-A311 VanDerWaalsContact C-N 3.34Å; K309-A311 PolarHBondContact O-N 3.31Å; K309-G312 PolarHBondContact O-N 2.98Å; K309-G312 VanDerWaalsContact O-N 3.12Å; K309-K313 PolarHBondContact NZ-O 2.78Å; K309-G346 WeakPolarHBondContact CD-O 3.44Å; K309-G346 VanDerWaalsContact CE-O 3.29Å; K309-G346 WeakPolarHBondContact CE-O 3.26Å; K309-D348 WeakPolarHBondContact CE-OD2 3.11Å; K309-D348 IonicContact NZ-OD1 2.7Å; K309-D348 PolarHBondContact NZ-OD1 2.79Å; K309-D348 IonicContact NZ-OD2 3.87Å; K309-D348 PolarHBondContact NZ-OD2 2.67Å; K309-F385 HydrophobicContact CB-CZ 4.18Å; K309-F385 HydrophobicContact CD-CZ 4.36Å; K309-F385 HydrophobicContact CG-CE2 4.38Å; K309-F385 HydrophobicContact CG-CZ 4.07Å; K309-I389 HydrophobicContact CB-CD1 4.39Å
310	I	95.8	Very high	97.8	Very high	85 Å²	85	29.4 Å²	29.4	44%	0.436	17%	0.165	S	C	.	.	H	α-helix	trans	-59.1	-46.6	175.2	-63.5	173.7	0	0	0	110.7	A306 K307 G312 I392 K434	A306-I310 VanDerWaalsContact O-CG1 3.32Å; A306-I310 WeakPolarHBondContact O-CG1 3.32Å; A306-I310 PolarHBondContact O-N 2.84Å; K307-I310 PolarHBondContact O-N 3.44Å; I310-G312 PolarHBondContact O-N 2.84Å; I310-I392 HydrophobicContact CD1-CD1 3.91Å; I310-I392 HydrophobicContact CG1-CD1 3.61Å; I310-I392 HydrophobicContact CG2-CD1 4.5Å; I310-K434 WeakPolarHBondContact O-CE 3.39Å; I310-K434 PolarHBondContact O-NZ 3.1Å
311	A	95.4	Very high	97.8	Very high	50 Å²	50	29 Å²	29	41%	0.413	16%	0.163	S	C	.	.	H	α-helix	trans	-70.1	-16.6	178.8	0	0	0	0	0	113.8	I275 K307 C308 K309 K313	I275-A311 HydrophobicContact CG2-CB 3.57Å; K307-A311 WeakPolarHBondContact O-CB 3.42Å; K307-A311 PolarHBondContact O-N 3.45Å; C308-A311 CarbonylContact O-C 3.57Å; C308-A311 PolarHBondContact O-N 3.49Å; K309-A311 VanDerWaalsContact C-N 3.34Å; K309-A311 PolarHBondContact O-N 3.31Å; A311-K313 VanDerWaalsContact C-N 3.32Å; A311-K313 HydrophobicContact CB-CG 4.28Å
312	G	95.3	Very high	97.8	Very high	12 Å²	12	28.6 Å²	28.6	12%	0.124	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	28	-173.2	0	0	0	0	0	113.4	C308 K309 I310	C308-G312 PolarHBondContact O-N 3.23Å; K309-G312 PolarHBondContact O-N 2.98Å; K309-G312 VanDerWaalsContact O-N 3.12Å; I310-G312 PolarHBondContact O-N 2.84Å
313	K	97.9	Very high	97.8	Very high	47 Å²	47	27.7 Å²	27.7	20%	0.204	16%	0.158	C	C	.	.			trans	-105.8	149.1	177.3	-66.1	-166	-178.9	-173.1	0	110.7	I275 E276 A278 C308 K309 A311	I275-K313 HydrophobicContact CG2-CD 4.28Å; I275-K313 WeakPolarHBondContact O-CD 3.42Å; I275-K313 VanDerWaalsContact O-CE 3.27Å; I275-K313 WeakPolarHBondContact O-CE 3.24Å; I275-K313 PolarHBondContact O-NZ 3.38Å; E276-K313 PolarHBondContact O-NZ 3.36Å; A278-K313 VanDerWaalsContact O-CD 3.31Å; A278-K313 WeakPolarHBondContact O-CD 3.32Å; A278-K313 WeakPolarHBondContact O-CE 3.48Å; A278-K313 PolarHBondContact O-NZ 3.38Å; C308-K313 PolarHBondContact O-N 3.05Å; K309-K313 PolarHBondContact NZ-O 2.78Å; A311-K313 VanDerWaalsContact C-N 3.32Å; A311-K313 HydrophobicContact CB-CG 4.28Å
314	P	98.5	Very high	97.8	Very high	2 Å²	2	26 Å²	26	1%	0.013	15%	0.146	C	C	.	.			trans	-71	143.9	-179.7	30.3	-30	0	0	0	110.1	D279 G280 I281 D348 L456 Y457	D279-P314 WeakPolarHBondContact O-CD 3.29Å; G280-P314 CarbonylContact C-O 3.41Å; G280-P314 VanDerWaalsContact CA-O 3.24Å; G280-P314 WeakPolarHBondContact CA-O 3.34Å; I281-P314 PolarHBondContact N-O 2.66Å; P314-D348 WeakPolarHBondContact CA-OD2 3.39Å; P314-L456 HydrophobicContact CB-CB 3.92Å; P314-L456 WeakPolarHBondContact CB-O 3.3Å; P314-L456 HydrophobicContact CG-CB 4.15Å; P314-L456 HydrophobicContact CG-CD1 4.35Å; P314-Y457 HydrophobicContact CB-CE1 4.23Å; P314-Y457 WeakPolarHBondContact CD-OH 3.34Å; P314-Y457 HydrophobicContact CG-CE1 4.23Å; P314-Y457 HydrophobicContact CG-CE2 4.21Å
315	V	98.9	Very high	97.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133.9	176.4	64.5	0	0	0	0	111.3	I281 V283 I304 I305 C308 D348 C349	I281-V315 HydrophobicContact CB-CG2 4.3Å; I281-V315 HydrophobicContact CG2-CG2 4.49Å; I281-V315 CarbonylContact O-C 3.56Å; I281-V315 VanDerWaalsContact O-CA 3.25Å; I281-V315 WeakPolarHBondContact O-CA 3.47Å; V283-V315 HydrophobicContact CG2-CG2 4.21Å; I304-V315 HydrophobicContact CG2-CG2 4.38Å; I305-V315 HydrophobicContact CB-CG1 4.16Å; I305-V315 HydrophobicContact CG1-CG1 3.99Å; I305-V315 HydrophobicContact CG1-CG2 3.86Å; I305-V315 HydrophobicContact CG2-CG1 3.87Å; C308-V315 HydrophobicContact CB-CB 3.64Å; C308-V315 HydrophobicContact CB-CG1 3.96Å; C308-V315 HydrophobicContact CB-CG2 4.29Å; V315-D348 PolarHBondContact N-OD2 3.34Å; V315-D348 PolarHBondContact O-N 2.84Å; V315-C349 PolarHBondContact O-N 2.88Å
316	I	98.9	Very high	97.7	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.1	-177.2	-51.7	168.1	0	0	0	108.8	I43 F232 I259 I281 M282 V283 A318 C349 M351 L456	I43-I316 HydrophobicContact CD1-CB 4.3Å; I43-I316 HydrophobicContact CD1-CD1 3.6Å; I43-I316 HydrophobicContact CD1-CG1 3.87Å; I43-I316 HydrophobicContact CD1-CG2 3.48Å; I43-I316 VanDerWaalsContact CD1-CG2 3.48Å; F232-I316 HydrophobicContact CE1-CD1 3.94Å; F232-I316 HydrophobicContact CZ-CD1 3.86Å; I259-I316 HydrophobicContact CG2-CD1 3.88Å; I281-I316 PolarHBondContact O-N 2.9Å; M282-I316 WeakPolarHBondContact CA-O 3.49Å; M282-I316 HydrophobicContact CB-CB 4.15Å; M282-I316 HydrophobicContact CB-CD1 4.44Å; M282-I316 HydrophobicContact CE-CB 4.41Å; M282-I316 HydrophobicContact CE-CD1 3.77Å; M282-I316 HydrophobicContact CE-CG2 4.14Å; M282-I316 HydrophobicContact CG-CB 4.09Å; M282-I316 HydrophobicContact CG-CG2 4.25Å; V283-I316 PolarHBondContact N-O 3.47Å; I316-A318 HydrophobicContact CG2-CB 4.48Å; I316-C349 WeakPolarHBondContact CA-O 3.48Å; I316-C349 HydrophobicContact CB-CB 4.5Å; I316-C349 HydrophobicContact CG1-CB 4.08Å; I316-C349 HydrophobicContact CG2-CB 4.27Å; I316-M351 HydrophobicContact CG2-CB 4.1Å; I316-L456 HydrophobicContact CD1-CD2 4.19Å
317	C	98.9	Very high	97.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.2	165.2	-173.7	0	0	0	0	109	Q301 M321 A342 A347 C349 M351	Q301-C317 PolarHBondContact OE1-SG 3.3Å; C317-M321 HydrophobicContact CB-CE 4.34Å; C317-A342 HydrophobicContact CB-CB 3.79Å; C317-A347 HydrophobicContact CB-CB 4.18Å; C317-C349 PolarHBondContact N-O 3Å; C317-M351 PolarHBondContact O-N 2.74Å; C317-M351 VanDerWaalsContact O-N 3.12Å
318	A	98.4	Very high	97.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	157.8	-167.8	0	0	0	0	0	113.8	M282 V283 R285 I316 M351	M282-A318 HydrophobicContact CG-CB 3.67Å; M282-A318 HydrophobicContact SD-CB 3.69Å; V283-A318 PolarHBondContact O-N 3.05Å; R285-A318 WeakPolarHBondContact CB-O 3.2Å; R285-A318 WeakPolarHBondContact CG-O 3.35Å; R285-A318 PolarHBondContact NE-O 3.47Å; I316-A318 HydrophobicContact CG2-CB 4.48Å; A318-M351 HydrophobicContact CB-CB 4.1Å; A318-M351 HydrophobicContact CB-CE 3.53Å; A318-M351 HydrophobicContact CB-SD 4.25Å
319	T	95.5	Very high	97.7	Very high	34 Å²	34	35.5 Å²	35.5	21%	0.209	20%	0.198	C	C	.	.	S	Bend	trans	75.6	130.7	171.2	-51.3	0	0	0	0	114.5	R285 M321	R285-T319 PolarHBondContact NE-O 2.82Å; R285-T319 PolarHBondContact NH2-O 2.88Å; T319-M321 PolarHBondContact O-N 3.25Å
320	Q	96.2	Very high	97.8	Very high	115 Å²	115	43.1 Å²	43.1	54%	0.537	23%	0.226	S	C	.	.	S	Bend	trans	54.9	30.1	175.5	-67.4	-177.8	-24.6	0	0	115.5	E323	Q320-E323 HydrophobicContact CB-CB 4.09Å; Q320-E323 HydrophobicContact CG-CB 4.13Å; Q320-E323 HydrophobicContact CG-CG 3.99Å; Q320-E323 WeakPolarHBondContact CG-OE2 3.41Å
321	M	98.6	Very high	97.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-70.1	-37.1	179.7	-62.6	-158	83.7	0	0	111.8	C317 T319 E335 V339 A342 V350 M369	C317-M321 HydrophobicContact CB-CE 4.34Å; T319-M321 PolarHBondContact O-N 3.25Å; M321-E335 WeakPolarHBondContact O-CA 3.4Å; M321-E335 VanDerWaalsContact O-CB 3.32Å; M321-E335 WeakPolarHBondContact O-CB 3.33Å; M321-E335 WeakPolarHBondContact O-CG 3.43Å; M321-V339 HydrophobicContact CB-CG2 3.95Å; M321-V339 HydrophobicContact CE-CB 4.29Å; M321-V339 HydrophobicContact CE-CG2 3.93Å; M321-A342 HydrophobicContact CE-CB 3.71Å; M321-V350 HydrophobicContact CE-CB 4.27Å; M321-V350 HydrophobicContact CE-CG1 3.86Å; M321-V350 HydrophobicContact SD-CB 3.71Å; M321-V350 HydrophobicContact SD-CG1 3.95Å; M321-M369 HydrophobicContact CB-CE 3.75Å; M321-M369 HydrophobicContact CG-CE 4.34Å; M321-M369 HydrophobicContact SD-CE 3.84Å
322	L	98.6	Very high	98.1	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-133.1	35.8	178.7	-61	-178.9	0	0	0	111	S324 M325 P331 E335 V339 L352 E355 A365 I368 M369	L322-S324 VanDerWaalsContact C-N 3.26Å; L322-S324 PolarHBondContact O-N 2.88Å; L322-M325 HydrophobicContact CB-CG 4.33Å; L322-M325 HydrophobicContact CB-SD 4.38Å; L322-M325 HydrophobicContact CD1-SD 4.19Å; L322-M325 VanDerWaalsContact O-CB 3.27Å; L322-M325 WeakPolarHBondContact O-CB 3.2Å; L322-M325 PolarHBondContact O-N 3.28Å; L322-P331 HydrophobicContact CD2-CB 3.96Å; L322-E335 HydrophobicContact CD2-CB 3.95Å; L322-V339 HydrophobicContact CD2-CG2 3.87Å; L322-V339 HydrophobicContact CG-CG2 4.2Å; L322-L352 HydrophobicContact CB-CD2 4.06Å; L322-L352 HydrophobicContact CD1-CD2 3.9Å; L322-L352 HydrophobicContact CG-CD2 4.1Å; L322-E355 HydrophobicContact CB-CG 4.11Å; L322-E355 PolarHBondContact N-OE1 3.42Å; L322-E355 VanDerWaalsContact O-CG 3.27Å; L322-E355 WeakPolarHBondContact O-CG 3.39Å; L322-A365 HydrophobicContact CD1-CB 4.47Å; L322-A365 WeakPolarHBondContact CD1-O 3.36Å; L322-I368 HydrophobicContact CD1-CG2 3.51Å; L322-I368 HydrophobicContact CD2-CG2 4.47Å; L322-M369 HydrophobicContact CD1-CB 3.99Å; L322-M369 HydrophobicContact CD1-CE 4.31Å; L322-M369 HydrophobicContact CG-CE 4.3Å
323	E	98.2	Very high	98.2	Very high	64 Å²	64	48.1 Å²	48.1	30%	0.299	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-50.7	-39.7	-166.9	-169.4	66.1	-169.2	0	0	113.9	Q320 M325 I326 E335	Q320-E323 HydrophobicContact CB-CB 4.09Å; Q320-E323 HydrophobicContact CG-CB 4.13Å; Q320-E323 HydrophobicContact CG-CG 3.99Å; Q320-E323 WeakPolarHBondContact CG-OE2 3.41Å; E323-M325 PolarHBondContact O-N 3.31Å; E323-M325 VanDerWaalsContact O-N 3.09Å; E323-I326 VanDerWaalsContact CD-CD1 3.48Å; E323-I326 HydrophobicContact CG-CD1 4.31Å; E323-I326 WeakPolarHBondContact O-CB 3.43Å; E323-I326 VanDerWaalsContact O-CG1 3.28Å; E323-I326 WeakPolarHBondContact O-CG1 3.39Å; E323-I326 PolarHBondContact O-N 3.17Å; E323-I326 WeakPolarHBondContact OE1-CD1 3.36Å; E323-E335 PolarHBondContact N-OE1 3.4Å
324	S	98.5	Very high	98.3	Very high	17 Å²	17	49.3 Å²	49.3	12%	0.119	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-61	-23.1	179.5	79.2	0	0	0	0	113.2	L322 I326 S327 K328 E335	L322-S324 VanDerWaalsContact C-N 3.26Å; L322-S324 PolarHBondContact O-N 2.88Å; S324-I326 PolarHBondContact O-N 3.03Å; S324-S327 PolarHBondContact O-N 3.31Å; S324-S327 VanDerWaalsContact O-N 3.17Å; S324-K328 WeakPolarHBondContact O-CB 3.44Å; S324-K328 PolarHBondContact O-N 3.23Å; S324-E335 WeakPolarHBondContact CA-OE1 3.38Å; S324-E335 WeakPolarHBondContact CB-OE1 3.31Å; S324-E335 PolarHBondContact N-OE1 3.15Å; S324-E335 VanDerWaalsContact OG-CD 3.24Å; S324-E335 PolarHBondContact OG-OE1 2.72Å; S324-E335 PolarHBondContact OG-OE2 2.95Å
325	M	98.5	Very high	98.3	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-72.5	-6	177.8	-63.3	-162.4	67.5	0	0	114.6	L322 E323 S327 K328 P331 E364 A365 I368	L322-M325 HydrophobicContact CB-CG 4.33Å; L322-M325 HydrophobicContact CB-SD 4.38Å; L322-M325 HydrophobicContact CD1-SD 4.19Å; L322-M325 VanDerWaalsContact O-CB 3.27Å; L322-M325 WeakPolarHBondContact O-CB 3.2Å; L322-M325 PolarHBondContact O-N 3.28Å; E323-M325 PolarHBondContact O-N 3.31Å; E323-M325 VanDerWaalsContact O-N 3.09Å; M325-S327 PolarHBondContact O-N 2.99Å; M325-K328 VanDerWaalsContact CA-O 3.23Å; M325-K328 WeakPolarHBondContact CA-O 3.48Å; M325-P331 HydrophobicContact CG-CB 4Å; M325-P331 HydrophobicContact SD-CB 3.93Å; M325-P331 HydrophobicContact SD-CG 4.08Å; M325-E364 HydrophobicContact CE-CB 3.77Å; M325-A365 HydrophobicContact CB-CB 4.37Å; M325-A365 HydrophobicContact CE-CB 4.34Å; M325-A365 HydrophobicContact SD-CB 4.31Å; M325-I368 HydrophobicContact CE-CG2 4.23Å; M325-I368 HydrophobicContact SD-CG2 3.51Å; M325-I368 VanDerWaalsContact SD-CG2 3.51Å
326	I	98.5	Very high	98.3	Very high	36 Å²	36	51.9 Å²	51.9	19%	0.185	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-56.3	-39.5	165.2	-68.7	173.3	0	0	0	110.5	E323 S324 E355 G359 A360	E323-I326 VanDerWaalsContact CD-CD1 3.48Å; E323-I326 HydrophobicContact CG-CD1 4.31Å; E323-I326 WeakPolarHBondContact O-CB 3.43Å; E323-I326 VanDerWaalsContact O-CG1 3.28Å; E323-I326 WeakPolarHBondContact O-CG1 3.39Å; E323-I326 PolarHBondContact O-N 3.17Å; E323-I326 WeakPolarHBondContact OE1-CD1 3.36Å; S324-I326 PolarHBondContact O-N 3.03Å; I326-E355 HydrophobicContact CG1-CG 4.32Å; I326-G359 WeakPolarHBondContact O-CA 3.16Å; I326-A360 PolarHBondContact O-N 3.12Å
327	S	98.2	Very high	98.3	Very high	83 Å²	83	54.8 Å²	54.8	58%	0.58	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	-10.5	-175.2	59.7	0	0	0	0	114.3	S324 M325	S324-S327 PolarHBondContact O-N 3.31Å; S324-S327 VanDerWaalsContact O-N 3.17Å; M325-S327 PolarHBondContact O-N 2.99Å
328	K	98.2	Very high	98.3	Very high	113 Å²	113	56.7 Å²	56.7	49%	0.491	30%	0.298	S	S	.	.			trans	-122	143.3	-175.4	-59.7	177.4	-172.9	172.2	0	111.5	S324 M325 R330 Y361	S324-K328 WeakPolarHBondContact O-CB 3.44Å; S324-K328 PolarHBondContact O-N 3.23Å; M325-K328 VanDerWaalsContact CA-O 3.23Å; M325-K328 WeakPolarHBondContact CA-O 3.48Å; K328-R330 PolarHBondContact O-N 3.31Å; K328-R330 VanDerWaalsContact O-N 3.17Å; K328-Y361 VanDerWaalsContact O-CD2 3.22Å; K328-Y361 WeakPolarHBondContact O-CD2 3.26Å
329	P	98.1	Very high	98.3	Very high	75 Å²	75	56.7 Å²	56.7	49%	0.487	30%	0.298	S	S	.	.	S	Bend	trans	-73.9	-5.3	-179.9	29.5	-35.8	0	0	0	113.8	Y361	P329-Y361 HydrophobicContact CB-CD1 4.05Å; P329-Y361 HydrophobicContact CB-CD2 4.46Å; P329-Y361 HydrophobicContact CB-CE1 3.75Å; P329-Y361 HydrophobicContact CB-CE2 4.19Å; P329-Y361 HydrophobicContact CB-CG 4.39Å
330	R	98.5	Very high	98.4	Very high	169 Å²	169	56.1 Å²	56.1	64%	0.638	30%	0.297	S	S	*	.	S	Bend	trans	-139.6	138.3	-173.4	-69.9	-94.2	-74	176	-2.5	109.4	K328	K328-R330 PolarHBondContact O-N 3.31Å; K328-R330 VanDerWaalsContact O-N 3.17Å
331	P	98.6	Very high	98.6	Very high	14 Å²	14	53.7 Å²	53.7	9%	0.091	29%	0.288	C	S	.	.			trans	-76.3	164.9	176.7	33.4	-35.5	0	0	0	111.9	L322 M325 E335 C336 I368	L322-P331 HydrophobicContact CD2-CB 3.96Å; M325-P331 HydrophobicContact CG-CB 4Å; M325-P331 HydrophobicContact SD-CB 3.93Å; M325-P331 HydrophobicContact SD-CG 4.08Å; P331-E335 WeakPolarHBondContact CA-OE2 3.38Å; P331-E335 HydrophobicContact CB-CB 4.01Å; P331-E335 WeakPolarHBondContact CB-OE2 3.12Å; P331-C336 VanDerWaalsContact CG-SG 3.52Å; P331-I368 HydrophobicContact CG-CG1 3.95Å; P331-I368 HydrophobicContact CG-CG2 4.34Å
332	T	98.7	Very high	98.6	Very high	55 Å²	55	53.7 Å²	53.7	34%	0.337	29%	0.288	S	S	.	.			trans	-72.7	167.8	168	75	0	0	0	0	111	A334 E335 C336	T332-A334 VanDerWaalsContact C-N 3.31Å; T332-A334 PolarHBondContact OG1-N 2.73Å; T332-E335 PolarHBondContact N-OE2 3.45Å; T332-E335 VanDerWaalsContact OG1-CG 3.31Å; T332-E335 WeakPolarHBondContact OG1-CG 3.44Å; T332-E335 PolarHBondContact OG1-N 3.4Å; T332-E335 VanDerWaalsContact OG1-N 3.15Å; T332-C336 PolarHBondContact O-N 2.94Å
333	R	98.5	Very high	98.6	Very high	182 Å²	182	53.7 Å²	53.7	69%	0.687	29%	0.288	S	S	*	.	H	α-helix	trans	-67.1	-35.7	173.4	-56.9	-61.1	171.1	-82.3	-7.2	111.9	C336 S337	R333-C336 PolarHBondContact O-N 2.86Å; R333-S337 WeakPolarHBondContact O-CB 3.34Å; R333-S337 PolarHBondContact O-N 3.02Å
334	A	98.7	Very high	98.6	Very high	73 Å²	73	53.8 Å²	53.8	60%	0.603	29%	0.29	S	S	*	.	H	α-helix	trans	-62.7	-42.7	177.2	0	0	0	0	0	111.5	T332 S337 D338	T332-A334 VanDerWaalsContact C-N 3.31Å; T332-A334 PolarHBondContact OG1-N 2.73Å; A334-S337 WeakPolarHBondContact O-CB 3.24Å; A334-S337 PolarHBondContact O-N 3.18Å; A334-D338 WeakPolarHBondContact O-CB 3.45Å; A334-D338 PolarHBondContact O-N 2.94Å
335	E	98.8	Very high	98.6	Very high	19 Å²	19	54.8 Å²	54.8	9%	0.089	29%	0.294	C	S	.	.	H	α-helix	trans	-63.1	-45.6	177.9	-75.9	166.3	-176.3	0	0	112.5	M321 L322 E323 S324 P331 T332 S337 D338 V339	M321-E335 WeakPolarHBondContact O-CA 3.4Å; M321-E335 VanDerWaalsContact O-CB 3.32Å; M321-E335 WeakPolarHBondContact O-CB 3.33Å; M321-E335 WeakPolarHBondContact O-CG 3.43Å; L322-E335 HydrophobicContact CD2-CB 3.95Å; E323-E335 PolarHBondContact N-OE1 3.4Å; S324-E335 WeakPolarHBondContact CA-OE1 3.38Å; S324-E335 WeakPolarHBondContact CB-OE1 3.31Å; S324-E335 PolarHBondContact N-OE1 3.15Å; S324-E335 VanDerWaalsContact OG-CD 3.24Å; S324-E335 PolarHBondContact OG-OE1 2.72Å; S324-E335 PolarHBondContact OG-OE2 2.95Å; P331-E335 WeakPolarHBondContact CA-OE2 3.38Å; P331-E335 HydrophobicContact CB-CB 4.01Å; P331-E335 WeakPolarHBondContact CB-OE2 3.12Å; T332-E335 PolarHBondContact N-OE2 3.45Å; T332-E335 VanDerWaalsContact OG1-CG 3.31Å; T332-E335 WeakPolarHBondContact OG1-CG 3.44Å; T332-E335 PolarHBondContact OG1-N 3.4Å; T332-E335 VanDerWaalsContact OG1-N 3.15Å; E335-S337 VanDerWaalsContact C-N 3.33Å; E335-S337 PolarHBondContact O-N 2.99Å; E335-D338 PolarHBondContact O-N 3.13Å; E335-V339 WeakPolarHBondContact O-CG2 3.06Å; E335-V339 PolarHBondContact O-N 3.32Å; E335-V339 VanDerWaalsContact O-N 3.09Å
336	C	98.6	Very high	98.5	Very high	36 Å²	36	54.7 Å²	54.7	24%	0.243	29%	0.294	C	S	.	.	H	α-helix	trans	-61.1	-42.3	173	-75.1	0	0	0	0	112.3	P331 T332 R333 D338 A340 V372	P331-C336 VanDerWaalsContact CG-SG 3.52Å; T332-C336 PolarHBondContact O-N 2.94Å; R333-C336 PolarHBondContact O-N 2.86Å; C336-D338 VanDerWaalsContact C-N 3.32Å; C336-A340 WeakPolarHBondContact O-CB 3.45Å; C336-A340 PolarHBondContact O-N 3.1Å; C336-A340 VanDerWaalsContact O-N 3.08Å; C336-V372 HydrophobicContact CB-CG2 4.41Å; C336-V372 WeakPolarHBondContact O-CG1 3.31Å
337	S	98.8	Very high	98.5	Very high	63 Å²	63	53 Å²	53	44%	0.441	29%	0.285	S	S	.	.	H	α-helix	trans	-63.5	-39.2	176.4	-176.3	0	0	0	0	111.8	R333 A334 E335 A340 N341	R333-S337 WeakPolarHBondContact O-CB 3.34Å; R333-S337 PolarHBondContact O-N 3.02Å; A334-S337 WeakPolarHBondContact O-CB 3.24Å; A334-S337 PolarHBondContact O-N 3.18Å; E335-S337 VanDerWaalsContact C-N 3.33Å; E335-S337 PolarHBondContact O-N 2.99Å; S337-A340 PolarHBondContact O-N 3.37Å; S337-N341 WeakPolarHBondContact O-CB 3.46Å; S337-N341 PolarHBondContact O-N 3Å; S337-N341 PolarHBondContact O-ND2 3.02Å; S337-N341 PolarHBondContact OG-ND2 3.46Å
338	D	98.9	Very high	98.6	Very high	40 Å²	40	49.1 Å²	49.1	21%	0.214	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-50.1	179.7	-178.5	49	0	0	0	111.7	R285 A334 E335 C336 A340 N341 A342	R285-D338 IonicContact CZ-OD1 3.86Å; R285-D338 IonicContact CZ-OD2 2.67Å; R285-D338 VanDerWaalsContact NH1-CG 3.28Å; R285-D338 IonicContact NH1-OD1 3.61Å; R285-D338 PolarHBondContact NH1-OD1 3.03Å; R285-D338 IonicContact NH1-OD2 3.6Å; R285-D338 PolarHBondContact NH1-OD2 3.37Å; R285-D338 IonicContact NH2-OD1 3.82Å; R285-D338 IonicContact NH2-OD2 2.86Å; R285-D338 PolarHBondContact NH2-OD2 2.68Å; A334-D338 WeakPolarHBondContact O-CB 3.45Å; A334-D338 PolarHBondContact O-N 2.94Å; E335-D338 PolarHBondContact O-N 3.13Å; C336-D338 VanDerWaalsContact C-N 3.32Å; D338-A340 VanDerWaalsContact C-N 3.35Å; D338-A340 PolarHBondContact O-N 3.44Å; D338-N341 PolarHBondContact O-N 3Å; D338-A342 WeakPolarHBondContact O-CB 3.42Å; D338-A342 PolarHBondContact O-N 3.46Å
339	V	98.9	Very high	98.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59	-46.3	175.5	178	0	0	0	0	111.2	M321 L322 E335 N341 A342 V343 M369 V372	M321-V339 HydrophobicContact CB-CG2 3.95Å; M321-V339 HydrophobicContact CE-CB 4.29Å; M321-V339 HydrophobicContact CE-CG2 3.93Å; L322-V339 HydrophobicContact CD2-CG2 3.87Å; L322-V339 HydrophobicContact CG-CG2 4.2Å; E335-V339 WeakPolarHBondContact O-CG2 3.06Å; E335-V339 PolarHBondContact O-N 3.32Å; E335-V339 VanDerWaalsContact O-N 3.09Å; V339-N341 PolarHBondContact O-N 2.82Å; V339-A342 PolarHBondContact O-N 3.35Å; V339-V343 WeakPolarHBondContact O-CG2 3.41Å; V339-V343 PolarHBondContact O-N 2.78Å; V339-M369 HydrophobicContact CG1-CE 4.43Å; V339-M369 HydrophobicContact CG1-CG 4.23Å; V339-M369 HydrophobicContact CG2-CE 3.81Å; V339-V372 HydrophobicContact CB-CB 4.41Å; V339-V372 HydrophobicContact CB-CG1 3.8Å; V339-V372 HydrophobicContact CG1-CB 4Å; V339-V372 HydrophobicContact CG1-CG1 3.69Å
340	A	98.7	Very high	98.6	Very high	22 Å²	22	40.2 Å²	40.2	18%	0.182	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-46.4	179.2	0	0	0	0	0	111.6	C336 S337 D338 A342 V343 L344 V372 A376	C336-A340 WeakPolarHBondContact O-CB 3.45Å; C336-A340 PolarHBondContact O-N 3.1Å; C336-A340 VanDerWaalsContact O-N 3.08Å; S337-A340 PolarHBondContact O-N 3.37Å; D338-A340 VanDerWaalsContact C-N 3.35Å; D338-A340 PolarHBondContact O-N 3.44Å; A340-A342 PolarHBondContact O-N 3.03Å; A340-V343 PolarHBondContact O-N 3.44Å; A340-L344 VanDerWaalsContact O-CG 3.3Å; A340-L344 WeakPolarHBondContact O-CG 3.38Å; A340-L344 PolarHBondContact O-N 3.03Å; A340-V372 HydrophobicContact CB-CG1 3.82Å; A340-A376 HydrophobicContact CB-CB 4.22Å
341	N	98.8	Very high	98.7	Very high	65 Å²	65	32.2 Å²	32.2	35%	0.348	18%	0.181	S	C	.	.	H	α-helix	trans	-68.2	-33.8	-179.6	-80.9	-78.3	0	0	0	112.8	S337 D338 V339 V343 L344 D345	S337-N341 WeakPolarHBondContact O-CB 3.46Å; S337-N341 PolarHBondContact O-N 3Å; S337-N341 PolarHBondContact O-ND2 3.02Å; S337-N341 PolarHBondContact OG-ND2 3.46Å; D338-N341 PolarHBondContact O-N 3Å; V339-N341 PolarHBondContact O-N 2.82Å; N341-V343 VanDerWaalsContact C-N 3.29Å; N341-V343 PolarHBondContact O-N 3.19Å; N341-L344 PolarHBondContact O-N 3.04Å; N341-D345 VanDerWaalsContact O-CB 3.29Å; N341-D345 WeakPolarHBondContact O-CB 3.46Å; N341-D345 PolarHBondContact O-N 3.35Å
342	A	98.8	Very high	98.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.9	-40.6	173.2	0	0	0	0	0	111.9	C317 M321 D338 V339 A340 G346 A347 V350	C317-A342 HydrophobicContact CB-CB 3.79Å; M321-A342 HydrophobicContact CE-CB 3.71Å; D338-A342 WeakPolarHBondContact O-CB 3.42Å; D338-A342 PolarHBondContact O-N 3.46Å; V339-A342 PolarHBondContact O-N 3.35Å; A340-A342 PolarHBondContact O-N 3.03Å; A342-G346 PolarHBondContact O-N 3.2Å; A342-A347 WeakPolarHBondContact O-CB 2.86Å; A342-A347 PolarHBondContact O-N 2.93Å; A342-V350 HydrophobicContact CB-CG1 4.33Å
343	V	98.5	Very high	98.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.2	-46.2	175.2	174.4	0	0	0	0	111.1	T40 V339 A340 N341 D345 G346 V350 C373 A376 E377	T40-V343 HydrophobicContact CG2-CG2 4.09Å; V339-V343 WeakPolarHBondContact O-CG2 3.41Å; V339-V343 PolarHBondContact O-N 2.78Å; A340-V343 PolarHBondContact O-N 3.44Å; N341-V343 VanDerWaalsContact C-N 3.29Å; N341-V343 PolarHBondContact O-N 3.19Å; V343-D345 VanDerWaalsContact C-N 3.29Å; V343-D345 PolarHBondContact O-N 2.86Å; V343-G346 WeakPolarHBondContact O-CA 3.39Å; V343-G346 PolarHBondContact O-N 2.94Å; V343-V350 HydrophobicContact CG2-CG1 4.38Å; V343-C373 HydrophobicContact CG2-CB 4.38Å; V343-A376 HydrophobicContact CB-CB 3.73Å; V343-A376 HydrophobicContact CG1-CB 3.64Å; V343-A376 HydrophobicContact CG2-CB 4.43Å; V343-E377 HydrophobicContact CG1-CG 3.91Å
344	L	98.2	Very high	98.5	Very high	65 Å²	65	21.8 Å²	21.8	34%	0.34	14%	0.14	S	C	.	.	H	α-helix	trans	-64.6	-31.1	178	-66.3	173.6	0	0	0	113	A340 N341 G346 A376 V379 F380	A340-L344 VanDerWaalsContact O-CG 3.3Å; A340-L344 WeakPolarHBondContact O-CG 3.38Å; A340-L344 PolarHBondContact O-N 3.03Å; N341-L344 PolarHBondContact O-N 3.04Å; L344-G346 PolarHBondContact O-N 2.85Å; L344-A376 HydrophobicContact CD2-CB 4.48Å; L344-A376 WeakPolarHBondContact CD2-O 3.36Å; L344-A376 HydrophobicContact CG-CB 4.34Å; L344-V379 HydrophobicContact CD2-CG2 4.16Å; L344-F380 HydrophobicContact CD2-CD2 4.23Å; L344-F380 WeakPolarHBondContact O-CE2 3.49Å
345	D	98.4	Very high	98.5	Very high	39 Å²	39	18.3 Å²	18.3	21%	0.209	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.3	171.9	-74.7	-22.3	0	0	0	112	Q301 K302 I305 N341 V343	Q301-D345 PolarHBondContact NE2-OD2 3.08Å; K302-D345 WeakPolarHBondContact CG-OD2 3.3Å; K302-D345 IonicContact NZ-OD1 2.86Å; K302-D345 PolarHBondContact NZ-OD1 2.91Å; K302-D345 IonicContact NZ-OD2 2.71Å; K302-D345 PolarHBondContact NZ-OD2 2.85Å; I305-D345 HydrophobicContact CD1-CB 3.95Å; I305-D345 HydrophobicContact CG2-CB 4.38Å; I305-D345 WeakPolarHBondContact CG2-O 3.25Å; N341-D345 VanDerWaalsContact O-CB 3.29Å; N341-D345 WeakPolarHBondContact O-CB 3.46Å; N341-D345 PolarHBondContact O-N 3.35Å; V343-D345 VanDerWaalsContact C-N 3.29Å; V343-D345 PolarHBondContact O-N 2.86Å
346	G	97.7	Very high	98.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.2	24.6	179.3	0	0	0	0	0	114.3	I305 K309 A342 V343 L344 R436	I305-G346 VanDerWaalsContact CG2-C 3.45Å; K309-G346 WeakPolarHBondContact CD-O 3.44Å; K309-G346 VanDerWaalsContact CE-O 3.29Å; K309-G346 WeakPolarHBondContact CE-O 3.26Å; A342-G346 PolarHBondContact O-N 3.2Å; V343-G346 WeakPolarHBondContact O-CA 3.39Å; V343-G346 PolarHBondContact O-N 2.94Å; L344-G346 PolarHBondContact O-N 2.85Å; G346-R436 PolarHBondContact O-NH2 3.26Å
347	A	98.7	Very high	98.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.101	C	C	.	.			trans	-57.8	140.5	168.1	0	0	0	0	0	110.4	I305 C317 A342 R436	I305-A347 HydrophobicContact CD1-CB 4.21Å; C317-A347 HydrophobicContact CB-CB 4.18Å; A342-A347 WeakPolarHBondContact O-CB 2.86Å; A342-A347 PolarHBondContact O-N 2.93Å; A347-R436 VanDerWaalsContact C-NH2 3.31Å; A347-R436 PolarHBondContact O-NH2 2.84Å
348	D	98.7	Very high	98.4	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.011	11%	0.11	C	C	.	.	S	Bend	trans	-88.4	-27.9	175.5	-52.8	-73.8	0	0	0	112	T40 G41 K309 P314 V315 R436 L456 H458	T40-D348 CarbonylContact C-O 3.56Å; T40-D348 WeakPolarHBondContact CA-O 3.29Å; T40-D348 WeakPolarHBondContact CG2-O 3.5Å; G41-D348 PolarHBondContact N-O 2.97Å; K309-D348 WeakPolarHBondContact CE-OD2 3.11Å; K309-D348 IonicContact NZ-OD1 2.7Å; K309-D348 PolarHBondContact NZ-OD1 2.79Å; K309-D348 IonicContact NZ-OD2 3.87Å; K309-D348 PolarHBondContact NZ-OD2 2.67Å; P314-D348 WeakPolarHBondContact CA-OD2 3.39Å; V315-D348 PolarHBondContact N-OD2 3.34Å; V315-D348 PolarHBondContact O-N 2.84Å; D348-R436 IonicContact OD1-CZ 2.68Å; D348-R436 IonicContact OD1-NH2 3.33Å; D348-R436 PolarHBondContact OD1-NH2 3.4Å; D348-L456 WeakPolarHBondContact CB-O 3.33Å; D348-H458 HydrophobicContact CB-CB 4.22Å
349	C	98.9	Very high	98.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	152.2	174.1	-63.2	0	0	0	0	111.3	G41 I43 V315 I316 C317	G41-C349 CarbonylContact O-C 3.55Å; G41-C349 WeakPolarHBondContact O-CA 3.43Å; I43-C349 HydrophobicContact CD1-CB 3.65Å; I43-C349 HydrophobicContact CG1-CB 4.25Å; V315-C349 PolarHBondContact O-N 2.88Å; I316-C349 WeakPolarHBondContact CA-O 3.48Å; I316-C349 HydrophobicContact CB-CB 4.5Å; I316-C349 HydrophobicContact CG1-CB 4.08Å; I316-C349 HydrophobicContact CG2-CB 4.27Å; C317-C349 PolarHBondContact N-O 3Å
350	V	98.9	Very high	98.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	151.4	168.2	-71	0	0	0	0	109.3	T40 G41 I42 I43 M321 A342 V343 M369	T40-V350 HydrophobicContact CG2-CG1 4.3Å; T40-V350 HydrophobicContact CG2-CG2 4.25Å; G41-V350 PolarHBondContact O-N 3.38Å; I42-V350 HydrophobicContact CG1-CG2 3.97Å; I43-V350 PolarHBondContact N-O 3.32Å; M321-V350 HydrophobicContact CE-CB 4.27Å; M321-V350 HydrophobicContact CE-CG1 3.86Å; M321-V350 HydrophobicContact SD-CB 3.71Å; M321-V350 HydrophobicContact SD-CG1 3.95Å; A342-V350 HydrophobicContact CB-CG1 4.33Å; V343-V350 HydrophobicContact CG2-CG1 4.38Å; V350-M369 HydrophobicContact CB-CE 4.06Å; V350-M369 HydrophobicContact CB-SD 3.96Å; V350-M369 HydrophobicContact CG2-CE 4.1Å; V350-M369 HydrophobicContact CG2-CG 3.67Å; V350-M369 HydrophobicContact CG2-SD 3.42Å; V350-M369 WeakPolarHBondContact CG2-SD 3.39Å
351	M	98.9	Very high	98.3	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.1	-170.9	-173.5	173.9	93.1	0	0	113.9	I43 R68 F232 M282 I316 C317 A318	I43-M351 HydrophobicContact CB-CB 4.02Å; I43-M351 HydrophobicContact CB-CG 3.8Å; I43-M351 HydrophobicContact CB-SD 4.44Å; I43-M351 HydrophobicContact CD1-CB 4.4Å; I43-M351 HydrophobicContact CG2-CB 4.47Å; I43-M351 HydrophobicContact CG2-CG 3.74Å; I43-M351 HydrophobicContact CG2-SD 3.91Å; I43-M351 WeakPolarHBondContact O-CA 3.33Å; R68-M351 WeakPolarHBondContact CD-SD 3.42Å; F232-M351 HydrophobicContact CE2-SD 4.33Å; M282-M351 HydrophobicContact CE-CE 4.18Å; M282-M351 HydrophobicContact CE-SD 3.59Å; M282-M351 VanDerWaalsContact CE-SD 3.59Å; M282-M351 HydrophobicContact SD-CE 3.93Å; M282-M351 HydrophobicContact SD-SD 4.13Å; I316-M351 HydrophobicContact CG2-CB 4.1Å; C317-M351 PolarHBondContact O-N 2.74Å; C317-M351 VanDerWaalsContact O-N 3.12Å; A318-M351 HydrophobicContact CB-CB 4.1Å; A318-M351 HydrophobicContact CB-CE 3.53Å; A318-M351 HydrophobicContact CB-SD 4.25Å
352	L	98.8	Very high	98.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.9	169.7	-63	171.6	0	0	0	110.6	I43 T45 L322 E355 T356 A365 V366 M369	I43-L352 PolarHBondContact O-N 3.19Å; T45-L352 WeakPolarHBondContact CB-O 3.31Å; T45-L352 PolarHBondContact N-O 3.4Å; T45-L352 PolarHBondContact OG1-O 3.28Å; L322-L352 HydrophobicContact CB-CD2 4.06Å; L322-L352 HydrophobicContact CD1-CD2 3.9Å; L322-L352 HydrophobicContact CG-CD2 4.1Å; L352-E355 HydrophobicContact CB-CB 4.35Å; L352-E355 HydrophobicContact CD2-CB 4.04Å; L352-E355 HydrophobicContact CD2-CG 4.03Å; L352-T356 HydrophobicContact CB-CG2 3.74Å; L352-T356 HydrophobicContact CD1-CG2 3.63Å; L352-T356 HydrophobicContact CG-CG2 4.32Å; L352-A365 HydrophobicContact CD1-CB 4.05Å; L352-V366 HydrophobicContact CD1-CG2 3.84Å; L352-M369 HydrophobicContact CD1-SD 4.06Å; L352-M369 HydrophobicContact CD2-CE 3.53Å; L352-M369 HydrophobicContact CD2-SD 3.95Å; L352-M369 HydrophobicContact CG-CE 3.94Å; L352-M369 HydrophobicContact CG-SD 3.7Å
353	S	97.7	Very high	98.3	Very high	20 Å²	20	22 Å²	22	14%	0.14	12%	0.123	C	C	.	.	S	Bend	trans	-110.8	-93.7	-177.7	-59.8	0	0	0	0	111	T45 E355 A357	T45-S353 WeakPolarHBondContact OG1-CA 3.4Å; S353-E355 WeakPolarHBondContact CA-OE2 3.48Å; S353-E355 PolarHBondContact N-OE2 2.83Å; S353-E355 PolarHBondContact O-N 3.23Å; S353-A357 WeakPolarHBondContact O-CB 3.4Å; S353-A357 PolarHBondContact O-N 3.34Å; S353-A357 VanDerWaalsContact O-N 3.08Å
354	G	96.6	Very high	98.3	Very high	11 Å²	11	25.5 Å²	25.5	11%	0.113	14%	0.139	C	C	.	.	H	α-helix	trans	-66.3	-31.3	-179.7	0	0	0	0	0	112.3	T356 A357 K358 G359	G354-T356 VanDerWaalsContact C-N 3.27Å; G354-T356 PolarHBondContact O-N 3.29Å; G354-A357 PolarHBondContact O-N 2.73Å; G354-K358 WeakPolarHBondContact O-CG 3.42Å; G354-K358 PolarHBondContact O-N 3.05Å; G354-G359 PolarHBondContact O-N 3.16Å
355	E	98.7	Very high	98.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-55.4	-42	-177.4	-53.5	95.2	136.9	0	0	111.7	L322 I326 L352 S353 G359 A365	L322-E355 HydrophobicContact CB-CG 4.11Å; L322-E355 PolarHBondContact N-OE1 3.42Å; L322-E355 VanDerWaalsContact O-CG 3.27Å; L322-E355 WeakPolarHBondContact O-CG 3.39Å; I326-E355 HydrophobicContact CG1-CG 4.32Å; L352-E355 HydrophobicContact CB-CB 4.35Å; L352-E355 HydrophobicContact CD2-CB 4.04Å; L352-E355 HydrophobicContact CD2-CG 4.03Å; S353-E355 WeakPolarHBondContact CA-OE2 3.48Å; S353-E355 PolarHBondContact N-OE2 2.83Å; S353-E355 PolarHBondContact O-N 3.23Å; E355-G359 WeakPolarHBondContact O-CA 3.41Å; E355-A365 HydrophobicContact CB-CB 4.08Å
356	T	98.8	Very high	98.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-99.2	-29.6	178.5	56.2	0	0	0	0	113.4	C44 T45 S50 L352 G354 P362 V366	C44-T356 HydrophobicContact CB-CG2 4.04Å; T45-T356 PolarHBondContact N-OG1 3.02Å; T45-T356 CarbonylContact O-C 3.52Å; T45-T356 WeakPolarHBondContact O-CB 3.37Å; T45-T356 PolarHBondContact O-OG1 3.09Å; S50-T356 WeakPolarHBondContact CB-O 3.49Å; S50-T356 PolarHBondContact OG-O 2.78Å; L352-T356 HydrophobicContact CB-CG2 3.74Å; L352-T356 HydrophobicContact CD1-CG2 3.63Å; L352-T356 HydrophobicContact CG-CG2 4.32Å; G354-T356 VanDerWaalsContact C-N 3.27Å; G354-T356 PolarHBondContact O-N 3.29Å; T356-P362 HydrophobicContact CG2-CB 4.45Å; T356-V366 HydrophobicContact CG2-CG2 3.95Å
357	A	98	Very high	98.4	Very high	15 Å²	15	26.8 Å²	26.8	12%	0.124	14%	0.137	C	C	.	.	H	α-helix	trans	-74.6	-41.5	-176.3	0	0	0	0	0	112.9	T45 G47 P48 S49 S353 G354	T45-A357 HydrophobicContact CG2-CB 3.9Å; T45-A357 WeakPolarHBondContact O-CA 3.47Å; T45-A357 PolarHBondContact O-N 3.17Å; G47-A357 CarbonylContact C-O 3.57Å; G47-A357 VanDerWaalsContact C-O 3.24Å; G47-A357 WeakPolarHBondContact CA-O 3.48Å; P48-A357 VanDerWaalsContact CD-O 3.32Å; P48-A357 WeakPolarHBondContact CD-O 3.35Å; S49-A357 PolarHBondContact N-O 3.05Å; S353-A357 WeakPolarHBondContact O-CB 3.4Å; S353-A357 PolarHBondContact O-N 3.34Å; S353-A357 VanDerWaalsContact O-N 3.08Å; G354-A357 PolarHBondContact O-N 2.73Å
358	K	97.4	Very high	98.4	Very high	141 Å²	141	28.3 Å²	28.3	61%	0.613	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134.1	-5.3	-173	64.7	178.9	-179.4	-177.6	0	114.2	S49 G354	S49-K358 VanDerWaalsContact OG-C 3.22Å; S49-K358 WeakPolarHBondContact OG-CA 3.22Å; S49-K358 PolarHBondContact OG-O 2.68Å; G354-K358 WeakPolarHBondContact O-CG 3.42Å; G354-K358 PolarHBondContact O-N 3.05Å
359	G	97.6	Very high	98.4	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.021	14%	0.144	C	C	.	.			trans	-68.9	157.6	-177.6	0	0	0	0	0	114	S49 I326 G354 E355	S49-G359 VanDerWaalsContact CB-O 3.3Å; S49-G359 WeakPolarHBondContact CB-O 3.34Å; S49-G359 PolarHBondContact OG-O 3.43Å; I326-G359 WeakPolarHBondContact O-CA 3.16Å; G354-G359 PolarHBondContact O-N 3.16Å; E355-G359 WeakPolarHBondContact O-CA 3.41Å
360	A	98.4	Very high	98.4	Very high	70 Å²	70	31 Å²	31	58%	0.579	16%	0.157	S	C	*	.	S	Bend	trans	-77.9	-20.2	175.1	0	0	0	0	0	113.1	I326 P362	I326-A360 PolarHBondContact O-N 3.12Å; A360-P362 WeakPolarHBondContact O-CD 3.41Å
361	Y	98.6	Very high	98.3	Very high	75 Å²	75	36.5 Å²	36.5	29%	0.294	18%	0.182	S	C	.	.			trans	-125.7	52.6	-173.9	-57.4	-75.9	0	0	0	113.2	K328 P329 V363 E364 A365	K328-Y361 VanDerWaalsContact O-CD2 3.22Å; K328-Y361 WeakPolarHBondContact O-CD2 3.26Å; P329-Y361 HydrophobicContact CB-CD1 4.05Å; P329-Y361 HydrophobicContact CB-CD2 4.46Å; P329-Y361 HydrophobicContact CB-CE1 3.75Å; P329-Y361 HydrophobicContact CB-CE2 4.19Å; P329-Y361 HydrophobicContact CB-CG 4.39Å; Y361-V363 VanDerWaalsContact C-N 3.35Å; Y361-V363 PolarHBondContact O-N 3.21Å; Y361-E364 WeakPolarHBondContact CA-OE2 3.42Å; Y361-E364 PolarHBondContact O-N 2.85Å; Y361-A365 WeakPolarHBondContact O-CB 3.3Å; Y361-A365 PolarHBondContact O-N 2.95Å
362	P	98.6	Very high	98.3	Very high	11 Å²	11	37.2 Å²	37.2	7%	0.071	19%	0.187	C	C	.	.	H	α-helix	trans	-65	-36.9	-172	27.9	-36	0	0	0	112.5	L55 L59 T356 A360 V366	L55-P362 HydrophobicContact CD2-CG 4.13Å; L59-P362 HydrophobicContact CD2-CB 4.31Å; T356-P362 HydrophobicContact CG2-CB 4.45Å; A360-P362 WeakPolarHBondContact O-CD 3.41Å; P362-V366 WeakPolarHBondContact O-CG2 3.34Å; P362-V366 PolarHBondContact O-N 3.01Å
363	V	98.8	Very high	98.3	Very high	10 Å²	10	37.2 Å²	37.2	6%	0.061	19%	0.187	C	C	.	.	H	α-helix	trans	-73.5	-41.8	-179.4	-179.3	0	0	0	0	110.7	L55 K58 L59 A62 Y361 A365 V366 R367	L55-V363 HydrophobicContact CD1-CG2 3.5Å; L55-V363 VanDerWaalsContact CD1-CG2 3.5Å; K58-V363 HydrophobicContact CB-CG1 4.5Å; K58-V363 HydrophobicContact CB-CG2 3.9Å; L59-V363 HydrophobicContact CD2-CG2 4.24Å; A62-V363 HydrophobicContact CB-CG1 4.17Å; Y361-V363 VanDerWaalsContact C-N 3.35Å; Y361-V363 PolarHBondContact O-N 3.21Å; V363-A365 VanDerWaalsContact C-N 3.32Å; V363-A365 PolarHBondContact O-N 3.32Å; V363-V366 PolarHBondContact O-N 3.34Å; V363-R367 HydrophobicContact CG1-CG 4.5Å; V363-R367 WeakPolarHBondContact O-CG 3.39Å; V363-R367 PolarHBondContact O-N 3.1Å
364	E	98.8	Very high	98.2	Very high	73 Å²	73	36.5 Å²	36.5	34%	0.341	18%	0.182	S	C	.	.	H	α-helix	trans	-63.6	-39.2	176.8	-65.3	70.1	-160.7	0	0	111.3	M325 Y361 R367 I368	M325-E364 HydrophobicContact CE-CB 3.77Å; Y361-E364 WeakPolarHBondContact CA-OE2 3.42Å; Y361-E364 PolarHBondContact O-N 2.85Å; E364-R367 PolarHBondContact O-N 3.35Å; E364-I368 WeakPolarHBondContact O-CG2 3.34Å; E364-I368 PolarHBondContact O-N 3.25Å
365	A	98.8	Very high	98.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60	-45.3	174.9	0	0	0	0	0	111.6	L322 M325 L352 E355 Y361 V363 I368 M369	L322-A365 HydrophobicContact CD1-CB 4.47Å; L322-A365 WeakPolarHBondContact CD1-O 3.36Å; M325-A365 HydrophobicContact CB-CB 4.37Å; M325-A365 HydrophobicContact CE-CB 4.34Å; M325-A365 HydrophobicContact SD-CB 4.31Å; L352-A365 HydrophobicContact CD1-CB 4.05Å; E355-A365 HydrophobicContact CB-CB 4.08Å; Y361-A365 WeakPolarHBondContact O-CB 3.3Å; Y361-A365 PolarHBondContact O-N 2.95Å; V363-A365 VanDerWaalsContact C-N 3.32Å; V363-A365 PolarHBondContact O-N 3.32Å; A365-I368 WeakPolarHBondContact O-CG2 3.43Å; A365-M369 VanDerWaalsContact O-CB 3.31Å; A365-M369 WeakPolarHBondContact O-CB 3.26Å; A365-M369 PolarHBondContact O-N 2.87Å
366	V	98.8	Very high	98.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.1	-43.6	174.9	178.8	0	0	0	0	111.4	I42 C44 L59 A62 L352 T356 P362 V363 M369 H370	I42-V366 HydrophobicContact CG2-CG1 4.38Å; C44-V366 WeakPolarHBondContact SG-CG2 3.46Å; L59-V366 HydrophobicContact CD2-CB 4.48Å; L59-V366 HydrophobicContact CD2-CG2 3.65Å; A62-V366 HydrophobicContact CB-CB 3.91Å; A62-V366 HydrophobicContact CB-CG1 3.59Å; L352-V366 HydrophobicContact CD1-CG2 3.84Å; T356-V366 HydrophobicContact CG2-CG2 3.95Å; P362-V366 WeakPolarHBondContact O-CG2 3.34Å; P362-V366 PolarHBondContact O-N 3.01Å; V363-V366 PolarHBondContact O-N 3.34Å; V366-M369 PolarHBondContact O-N 3.42Å; V366-H370 WeakPolarHBondContact O-CB 3.38Å; V366-H370 PolarHBondContact O-N 3.01Å
367	R	98.4	Very high	98.1	Very high	131 Å²	131	39.7 Å²	39.7	49%	0.494	20%	0.195	S	C	.	.	H	α-helix	trans	-61.8	-45.8	-179.8	-76	176.5	179.8	158.2	0.1	112.5	A62 V363 E364 H370 Q371	A62-R367 HydrophobicContact CB-CG 3.84Å; V363-R367 HydrophobicContact CG1-CG 4.5Å; V363-R367 WeakPolarHBondContact O-CG 3.39Å; V363-R367 PolarHBondContact O-N 3.1Å; E364-R367 PolarHBondContact O-N 3.35Å; R367-H370 WeakPolarHBondContact O-CB 3.09Å; R367-H370 PolarHBondContact O-N 3.26Å; R367-Q371 WeakPolarHBondContact O-CG 3.49Å; R367-Q371 PolarHBondContact O-N 3.42Å
368	I	98.4	Very high	97.9	Very high	32 Å²	32	40.3 Å²	40.3	16%	0.164	20%	0.198	C	C	.	.	H	α-helix	trans	-71.8	-35.8	180	-165.1	59.1	0	0	0	111.1	L322 M325 P331 E364 A365 H370 Q371 V372	L322-I368 HydrophobicContact CD1-CG2 3.51Å; L322-I368 HydrophobicContact CD2-CG2 4.47Å; M325-I368 HydrophobicContact CE-CG2 4.23Å; M325-I368 HydrophobicContact SD-CG2 3.51Å; M325-I368 VanDerWaalsContact SD-CG2 3.51Å; P331-I368 HydrophobicContact CG-CG1 3.95Å; P331-I368 HydrophobicContact CG-CG2 4.34Å; E364-I368 WeakPolarHBondContact O-CG2 3.34Å; E364-I368 PolarHBondContact O-N 3.25Å; A365-I368 WeakPolarHBondContact O-CG2 3.43Å; I368-H370 VanDerWaalsContact C-N 3.33Å; I368-H370 PolarHBondContact O-N 2.99Å; I368-Q371 HydrophobicContact CD1-CB 4.41Å; I368-Q371 VanDerWaalsContact CD1-OE1 3.28Å; I368-Q371 PolarHBondContact O-N 2.98Å; I368-V372 HydrophobicContact CG1-CG2 4.38Å; I368-V372 VanDerWaalsContact O-CG2 3.3Å; I368-V372 WeakPolarHBondContact O-CG2 3.46Å; I368-V372 PolarHBondContact O-N 2.93Å
369	M	98.7	Very high	97.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.6	-45.4	172.2	-176	163.1	-90.9	0	0	111	I42 M321 L322 V339 V350 L352 A365 V366 Q371 V372 C373	I42-M369 HydrophobicContact CD1-CB 4.39Å; I42-M369 HydrophobicContact CD1-CG 4.07Å; I42-M369 HydrophobicContact CG1-CG 4.05Å; I42-M369 HydrophobicContact CG1-SD 4.27Å; I42-M369 HydrophobicContact CG2-SD 4.1Å; M321-M369 HydrophobicContact CB-CE 3.75Å; M321-M369 HydrophobicContact CG-CE 4.34Å; M321-M369 HydrophobicContact SD-CE 3.84Å; L322-M369 HydrophobicContact CD1-CB 3.99Å; L322-M369 HydrophobicContact CD1-CE 4.31Å; L322-M369 HydrophobicContact CG-CE 4.3Å; V339-M369 HydrophobicContact CG1-CE 4.43Å; V339-M369 HydrophobicContact CG1-CG 4.23Å; V339-M369 HydrophobicContact CG2-CE 3.81Å; V350-M369 HydrophobicContact CB-CE 4.06Å; V350-M369 HydrophobicContact CB-SD 3.96Å; V350-M369 HydrophobicContact CG2-CE 4.1Å; V350-M369 HydrophobicContact CG2-CG 3.67Å; V350-M369 HydrophobicContact CG2-SD 3.42Å; V350-M369 WeakPolarHBondContact CG2-SD 3.39Å; L352-M369 HydrophobicContact CD1-SD 4.06Å; L352-M369 HydrophobicContact CD2-CE 3.53Å; L352-M369 HydrophobicContact CD2-SD 3.95Å; L352-M369 HydrophobicContact CG-CE 3.94Å; L352-M369 HydrophobicContact CG-SD 3.7Å; A365-M369 VanDerWaalsContact O-CB 3.31Å; A365-M369 WeakPolarHBondContact O-CB 3.26Å; A365-M369 PolarHBondContact O-N 2.87Å; V366-M369 PolarHBondContact O-N 3.42Å; M369-Q371 PolarHBondContact O-N 2.76Å; M369-V372 PolarHBondContact O-N 2.79Å; M369-C373 WeakPolarHBondContact O-CB 3.43Å; M369-C373 PolarHBondContact O-N 3.42Å; M369-C373 PolarHBondContact O-SG 3.36Å
370	H	98.3	Very high	97.7	Very high	57 Å²	57	36 Å²	36	26%	0.264	18%	0.181	S	C	.	.	H	α-helix	trans	-55.9	-49.9	173.4	173.9	96.4	0	0	0	112.1	I42 V366 R367 I368 V372 C373 C374	I42-H370 HydrophobicContact CD1-CB 3.95Å; V366-H370 WeakPolarHBondContact O-CB 3.38Å; V366-H370 PolarHBondContact O-N 3.01Å; R367-H370 WeakPolarHBondContact O-CB 3.09Å; R367-H370 PolarHBondContact O-N 3.26Å; I368-H370 VanDerWaalsContact C-N 3.33Å; I368-H370 PolarHBondContact O-N 2.99Å; H370-V372 PolarHBondContact O-N 2.87Å; H370-C373 PolarHBondContact O-N 3.01Å; H370-C374 PolarHBondContact O-N 3.01Å; H370-C374 PolarHBondContact O-SG 3.41Å; H370-C374 VanDerWaalsContact O-SG 3.33Å
371	Q	97.8	Very high	97.5	Very high	116 Å²	116	33.6 Å²	33.6	54%	0.542	16%	0.158	S	C	.	.	H	α-helix	trans	-61.8	-43.9	-179.6	-72.7	171.9	-19	0	0	112.5	R367 I368 M369 C374 Q375	R367-Q371 WeakPolarHBondContact O-CG 3.49Å; R367-Q371 PolarHBondContact O-N 3.42Å; I368-Q371 HydrophobicContact CD1-CB 4.41Å; I368-Q371 VanDerWaalsContact CD1-OE1 3.28Å; I368-Q371 PolarHBondContact O-N 2.98Å; M369-Q371 PolarHBondContact O-N 2.76Å; Q371-C374 PolarHBondContact O-N 3.4Å; Q371-Q375 PolarHBondContact O-N 3.35Å
372	V	98.2	Very high	97.3	Very high	18 Å²	18	30.9 Å²	30.9	11%	0.109	15%	0.148	C	C	.	.	H	α-helix	trans	-66.7	-39.9	178.4	177	0	0	0	0	111	C336 V339 A340 I368 M369 H370 Q375 A376	C336-V372 HydrophobicContact CB-CG2 4.41Å; C336-V372 WeakPolarHBondContact O-CG1 3.31Å; V339-V372 HydrophobicContact CB-CB 4.41Å; V339-V372 HydrophobicContact CB-CG1 3.8Å; V339-V372 HydrophobicContact CG1-CB 4Å; V339-V372 HydrophobicContact CG1-CG1 3.69Å; A340-V372 HydrophobicContact CB-CG1 3.82Å; I368-V372 HydrophobicContact CG1-CG2 4.38Å; I368-V372 VanDerWaalsContact O-CG2 3.3Å; I368-V372 WeakPolarHBondContact O-CG2 3.46Å; I368-V372 PolarHBondContact O-N 2.93Å; M369-V372 PolarHBondContact O-N 2.79Å; H370-V372 PolarHBondContact O-N 2.87Å; V372-Q375 PolarHBondContact O-N 2.77Å; V372-A376 WeakPolarHBondContact O-CB 3.46Å; V372-A376 PolarHBondContact O-N 3.06Å
373	C	98.4	Very high	96.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.3	-48.9	173.2	-71.3	0	0	0	0	111.7	R38 V343 M369 H370 Q375 A376 E377	R38-C373 HydrophobicContact CG-CB 3.83Å; V343-C373 HydrophobicContact CG2-CB 4.38Å; M369-C373 WeakPolarHBondContact O-CB 3.43Å; M369-C373 PolarHBondContact O-N 3.42Å; M369-C373 PolarHBondContact O-SG 3.36Å; H370-C373 PolarHBondContact O-N 3.01Å; C373-Q375 VanDerWaalsContact C-N 3.3Å; C373-Q375 PolarHBondContact O-N 3.46Å; C373-A376 PolarHBondContact O-N 2.84Å; C373-E377 WeakPolarHBondContact O-CB 3.29Å; C373-E377 WeakPolarHBondContact O-CG 3.32Å; C373-E377 PolarHBondContact O-N 2.82Å
374	C	97.3	Very high	96.7	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.034	16%	0.163	C	C	.	.	H	α-helix	trans	-58.2	-42.3	177	-69.3	0	0	0	0	112.4	V34 E35 R38 H370 Q371 E377 S378	V34-C374 HydrophobicContact CG1-CB 3.74Å; E35-C374 WeakPolarHBondContact O-CB 3.44Å; R38-C374 VanDerWaalsContact CB-SG 3.53Å; H370-C374 PolarHBondContact O-N 3.01Å; H370-C374 PolarHBondContact O-SG 3.41Å; H370-C374 VanDerWaalsContact O-SG 3.33Å; Q371-C374 PolarHBondContact O-N 3.4Å; C374-E377 PolarHBondContact O-N 2.93Å; C374-S378 PolarHBondContact O-N 3.06Å
375	Q	97.5	Very high	96.5	Very high	72 Å²	72	31.5 Å²	31.5	34%	0.336	15%	0.153	S	C	.	.	H	α-helix	trans	-63.3	-49.2	177	-170.2	68.3	43.4	0	0	111.3	V34 Q371 V372 C373 E377 S378 V379	V34-Q375 HydrophobicContact CG1-CB 4.5Å; Q371-Q375 PolarHBondContact O-N 3.35Å; V372-Q375 PolarHBondContact O-N 2.77Å; C373-Q375 VanDerWaalsContact C-N 3.3Å; C373-Q375 PolarHBondContact O-N 3.46Å; Q375-E377 VanDerWaalsContact C-N 3.31Å; Q375-E377 PolarHBondContact O-N 2.95Å; Q375-S378 PolarHBondContact O-N 3.25Å; Q375-S378 PolarHBondContact O-OG 3.19Å; Q375-V379 PolarHBondContact O-N 3.27Å
376	A	97.5	Very high	96.3	Very high	3 Å²	3	32 Å²	32	3%	0.025	16%	0.156	C	C	.	.	H	α-helix	trans	-62.1	-38.7	179.5	0	0	0	0	0	112.1	A340 V343 L344 V372 C373 S378 V379 F380	A340-A376 HydrophobicContact CB-CB 4.22Å; V343-A376 HydrophobicContact CB-CB 3.73Å; V343-A376 HydrophobicContact CG1-CB 3.64Å; V343-A376 HydrophobicContact CG2-CB 4.43Å; L344-A376 HydrophobicContact CD2-CB 4.48Å; L344-A376 WeakPolarHBondContact CD2-O 3.36Å; L344-A376 HydrophobicContact CG-CB 4.34Å; V372-A376 WeakPolarHBondContact O-CB 3.46Å; V372-A376 PolarHBondContact O-N 3.06Å; C373-A376 PolarHBondContact O-N 2.84Å; A376-S378 VanDerWaalsContact C-N 3.35Å; A376-V379 WeakPolarHBondContact O-CG2 3.33Å; A376-V379 PolarHBondContact O-N 2.96Å; A376-F380 PolarHBondContact O-N 3.04Å
377	E	96.4	Very high	96.2	Very high	3 Å²	3	36.7 Å²	36.7	1%	0.014	18%	0.18	C	C	.	.	H	α-helix	trans	-66.1	-34.6	175.6	-72.8	161.1	-164.1	0	0	112.7	R38 K39 T40 V343 C373 C374 Q375 V379 F380	R38-E377 WeakPolarHBondContact CA-OE2 3.48Å; K39-E377 HydrophobicContact CB-CG 4.44Å; K39-E377 VanDerWaalsContact N-CD 3.3Å; K39-E377 PolarHBondContact N-OE1 2.81Å; K39-E377 PolarHBondContact N-OE2 3.29Å; T40-E377 WeakPolarHBondContact CB-OE1 3.38Å; T40-E377 PolarHBondContact N-OE1 3.09Å; T40-E377 PolarHBondContact OG1-OE1 3.17Å; V343-E377 HydrophobicContact CG1-CG 3.91Å; C373-E377 WeakPolarHBondContact O-CB 3.29Å; C373-E377 WeakPolarHBondContact O-CG 3.32Å; C373-E377 PolarHBondContact O-N 2.82Å; C374-E377 PolarHBondContact O-N 2.93Å; Q375-E377 VanDerWaalsContact C-N 3.31Å; Q375-E377 PolarHBondContact O-N 2.95Å; E377-V379 VanDerWaalsContact C-N 3.26Å; E377-V379 PolarHBondContact O-N 2.93Å; E377-F380 PolarHBondContact O-N 3.19Å
378	S	93.9	Very high	96.1	Very high	27 Å²	27	35.1 Å²	35.1	19%	0.189	18%	0.179	C	C	.	.	H	α-helix	trans	-68.8	-24.5	178	69.8	0	0	0	0	113.6	C374 Q375 A376	C374-S378 PolarHBondContact O-N 3.06Å; Q375-S378 PolarHBondContact O-N 3.25Å; Q375-S378 PolarHBondContact O-OG 3.19Å; A376-S378 VanDerWaalsContact C-N 3.35Å
379	V	94.6	Very high	96	Very high	33 Å²	33	34 Å²	34	20%	0.2	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	14	-179.1	-56	0	0	0	0	112.6	H24 L28 L344 Q375 A376 E377	H24-V379 PolarHBondContact NE2-O 2.91Å; L28-V379 HydrophobicContact CD1-CB 4.45Å; L28-V379 HydrophobicContact CD2-CB 3.69Å; L28-V379 HydrophobicContact CD2-CG1 3.91Å; L344-V379 HydrophobicContact CD2-CG2 4.16Å; Q375-V379 PolarHBondContact O-N 3.27Å; A376-V379 WeakPolarHBondContact O-CG2 3.33Å; A376-V379 PolarHBondContact O-N 2.96Å; E377-V379 VanDerWaalsContact C-N 3.26Å; E377-V379 PolarHBondContact O-N 2.93Å
380	F	94.9	Very high	95.8	Very high	20 Å²	20	35.6 Å²	35.6	9%	0.088	18%	0.183	C	C	.	.			trans	-75.6	132.2	179.6	-172.2	-89.3	0	0	0	111	L344 A376 E377 H382 F385	L344-F380 HydrophobicContact CD2-CD2 4.23Å; L344-F380 WeakPolarHBondContact O-CE2 3.49Å; A376-F380 PolarHBondContact O-N 3.04Å; E377-F380 PolarHBondContact O-N 3.19Å; F380-H382 VanDerWaalsContact C-N 3.27Å; F380-H382 HydrophobicContact CD1-CB 4.38Å; F380-H382 AromaticContact CD1-CD2 3.92Å; F380-H382 AromaticContact CD1-CE1 3.64Å; F380-H382 AromaticContact CD1-CG 3.72Å; F380-H382 AromaticContact CD1-ND1 3.56Å; F380-H382 AromaticContact CD1-NE2 3.9Å; F380-H382 PolarHBondContact O-CD2 3.17Å; F380-H382 PolarHBondContact O-N 2.83Å; F380-F385 HydrophobicContact CE1-CB 3.65Å; F380-F385 HydrophobicContact CE1-CD1 4.35Å; F380-F385 HydrophobicContact CE1-CD2 4.3Å; F380-F385 AromaticContact CE1-CG 3.85Å; F380-F385 HydrophobicContact CE1-CG 3.85Å; F380-F385 HydrophobicContact CZ-CB 3.88Å; F380-F385 HydrophobicContact CZ-CD1 4.4Å; F380-F385 AromaticContact CZ-CD2 3.7Å; F380-F385 HydrophobicContact CZ-CD2 3.7Å; F380-F385 HydrophobicContact CZ-CE2 4.34Å; F380-F385 AromaticContact CZ-CG 3.72Å; F380-F385 HydrophobicContact CZ-CG 3.72Å
381	F	95	Very high	95.8	Very high	19 Å²	19	40.2 Å²	40.2	8%	0.083	20%	0.204	C	C	.	.			trans	-80.9	71.1	-178.6	-161.9	-173.6	0	0	0	112.4	S18 T20 L21 H24 S383 N384 F385	S18-F381 VanDerWaalsContact O-CZ 3.32Å; S18-F381 WeakPolarHBondContact O-CZ 3.11Å; T20-F381 WeakPolarHBondContact O-CE1 3.38Å; L21-F381 HydrophobicContact CD1-CD1 4.02Å; H24-F381 HydrophobicContact CB-CD1 3.74Å; H24-F381 HydrophobicContact CB-CD2 4.39Å; H24-F381 HydrophobicContact CB-CE1 3.74Å; H24-F381 HydrophobicContact CB-CE2 4.37Å; H24-F381 HydrophobicContact CB-CG 4.1Å; H24-F381 HydrophobicContact CB-CZ 4.07Å; H24-F381 AromaticContact CD2-CG 3.87Å; H24-F381 AromaticContact CG-CD1 3.78Å; H24-F381 AromaticContact CG-CD2 3.96Å; H24-F381 AromaticContact CG-CG 3.65Å; H24-F381 AromaticContact ND1-CD2 3.71Å; H24-F381 AromaticContact ND1-CG 3.83Å; F381-S383 VanDerWaalsContact CE2-OG 3.25Å; F381-S383 WeakPolarHBondContact CE2-OG 3.49Å; F381-S383 PolarHBondContact O-N 3.16Å; F381-N384 HydrophobicContact CB-CB 4.37Å; F381-N384 HydrophobicContact CD1-CB 3.46Å; F381-N384 VanDerWaalsContact CD1-CB 3.46Å; F381-N384 HydrophobicContact CD2-CB 4.06Å; F381-N384 HydrophobicContact CE1-CB 3.6Å; F381-N384 HydrophobicContact CE2-CB 4.2Å; F381-N384 HydrophobicContact CG-CB 3.7Å; F381-N384 HydrophobicContact CZ-CB 3.98Å; F381-N384 PolarHBondContact O-N 3.44Å; F381-F385 PolarHBondContact O-N 3.29Å; F381-F385 VanDerWaalsContact O-N 3.13Å
382	H	93.5	Very high	95.7	Very high	19 Å²	19	38.9 Å²	38.9	9%	0.088	20%	0.2	C	C	.	.	H	α-helix	trans	-54.9	-45.4	-171	-74.6	-79.8	0	0	0	114.6	F380 F385 F386 R436 P438	F380-H382 VanDerWaalsContact C-N 3.27Å; F380-H382 HydrophobicContact CD1-CB 4.38Å; F380-H382 AromaticContact CD1-CD2 3.92Å; F380-H382 AromaticContact CD1-CE1 3.64Å; F380-H382 AromaticContact CD1-CG 3.72Å; F380-H382 AromaticContact CD1-ND1 3.56Å; F380-H382 AromaticContact CD1-NE2 3.9Å; F380-H382 PolarHBondContact O-CD2 3.17Å; F380-H382 PolarHBondContact O-N 2.83Å; H382-F385 PolarHBondContact O-N 3.5Å; H382-F386 VanDerWaalsContact O-CB 3.27Å; H382-F386 WeakPolarHBondContact O-CB 3.37Å; H382-F386 PolarHBondContact O-N 3.46Å; H382-R436 PolarHBondContact ND1-O 3.02Å; H382-P438 HydrophobicContact CB-CB 4.3Å
383	S	90.9	Very high	95.5	Very high	27 Å²	27	38.5 Å²	38.5	19%	0.189	20%	0.198	C	C	.	.	H	α-helix	trans	-65.6	-40.8	-177	50.3	0	0	0	0	112	F381 N387	F381-S383 VanDerWaalsContact CE2-OG 3.25Å; F381-S383 WeakPolarHBondContact CE2-OG 3.49Å; F381-S383 PolarHBondContact O-N 3.16Å; S383-N387 WeakPolarHBondContact O-CB 3.32Å; S383-N387 PolarHBondContact O-N 2.92Å; S383-N387 VanDerWaalsContact O-N 3.07Å; S383-N387 PolarHBondContact O-ND2 3.23Å
384	N	94.1	Very high	95.3	Very high	50 Å²	50	43.5 Å²	43.5	27%	0.267	23%	0.23	S	C	.	.	H	α-helix	trans	-62.6	-52	175	-173.1	79.7	0	0	0	111.2	F381 F386 N387 E388	F381-N384 HydrophobicContact CB-CB 4.37Å; F381-N384 HydrophobicContact CD1-CB 3.46Å; F381-N384 VanDerWaalsContact CD1-CB 3.46Å; F381-N384 HydrophobicContact CD2-CB 4.06Å; F381-N384 HydrophobicContact CE1-CB 3.6Å; F381-N384 HydrophobicContact CE2-CB 4.2Å; F381-N384 HydrophobicContact CG-CB 3.7Å; F381-N384 HydrophobicContact CZ-CB 3.98Å; F381-N384 PolarHBondContact O-N 3.44Å; N384-F386 VanDerWaalsContact C-N 3.33Å; N384-F386 PolarHBondContact O-N 3.08Å; N384-N387 PolarHBondContact O-N 2.94Å; N384-E388 PolarHBondContact ND2-OE1 3.04Å; N384-E388 WeakPolarHBondContact O-CG 3.37Å; N384-E388 PolarHBondContact O-N 3.4Å
385	F	95.3	Very high	95.2	Very high	30 Å²	30	51 Å²	51	13%	0.132	26%	0.262	C	S	.	.	H	α-helix	trans	-57.9	-45.4	178.9	-178.8	-86.7	0	0	0	112.1	K309 F380 F381 H382 N387 E388 I389 R436	K309-F385 HydrophobicContact CB-CZ 4.18Å; K309-F385 HydrophobicContact CD-CZ 4.36Å; K309-F385 HydrophobicContact CG-CE2 4.38Å; K309-F385 HydrophobicContact CG-CZ 4.07Å; F380-F385 HydrophobicContact CE1-CB 3.65Å; F380-F385 HydrophobicContact CE1-CD1 4.35Å; F380-F385 HydrophobicContact CE1-CD2 4.3Å; F380-F385 AromaticContact CE1-CG 3.85Å; F380-F385 HydrophobicContact CE1-CG 3.85Å; F380-F385 HydrophobicContact CZ-CB 3.88Å; F380-F385 HydrophobicContact CZ-CD1 4.4Å; F380-F385 AromaticContact CZ-CD2 3.7Å; F380-F385 HydrophobicContact CZ-CD2 3.7Å; F380-F385 HydrophobicContact CZ-CE2 4.34Å; F380-F385 AromaticContact CZ-CG 3.72Å; F380-F385 HydrophobicContact CZ-CG 3.72Å; F381-F385 PolarHBondContact O-N 3.29Å; F381-F385 VanDerWaalsContact O-N 3.13Å; H382-F385 PolarHBondContact O-N 3.5Å; F385-N387 PolarHBondContact O-N 3.41Å; F385-E388 PolarHBondContact O-N 2.87Å; F385-I389 HydrophobicContact CD1-CG1 3.94Å; F385-I389 HydrophobicContact CE1-CD1 4.22Å; F385-I389 HydrophobicContact CE1-CG1 3.44Å; F385-I389 VanDerWaalsContact CE1-CG1 3.44Å; F385-I389 HydrophobicContact CE2-CD1 4.43Å; F385-I389 HydrophobicContact CE2-CG1 4.27Å; F385-I389 HydrophobicContact CZ-CD1 3.91Å; F385-I389 HydrophobicContact CZ-CG1 3.63Å; F385-I389 WeakPolarHBondContact O-CG1 3.46Å; F385-I389 PolarHBondContact O-N 3.09Å; F385-R436 HydrophobicContact CD1-CB 3.69Å; F385-R436 HydrophobicContact CD1-CG 3.9Å; F385-R436 HydrophobicContact CE1-CB 3.61Å; F385-R436 HydrophobicContact CE1-CG 3.35Å; F385-R436 HydrophobicContact CZ-CG 3.88Å
386	F	95.6	Very high	95.1	Very high	11 Å²	11	53.8 Å²	53.8	5%	0.048	29%	0.287	C	S	.	.	H	α-helix	trans	-58.6	-47.1	178.4	173.4	-109.9	0	0	0	111.6	H382 N384 E388 I389 V390 I405 T408 I412 F435	H382-F386 VanDerWaalsContact O-CB 3.27Å; H382-F386 WeakPolarHBondContact O-CB 3.37Å; H382-F386 PolarHBondContact O-N 3.46Å; N384-F386 VanDerWaalsContact C-N 3.33Å; N384-F386 PolarHBondContact O-N 3.08Å; F386-E388 PolarHBondContact O-N 3.36Å; F386-I389 PolarHBondContact O-N 3.31Å; F386-V390 HydrophobicContact CD2-CG2 4.01Å; F386-V390 HydrophobicContact CE1-CG2 4.14Å; F386-V390 HydrophobicContact CE2-CG2 3.54Å; F386-V390 HydrophobicContact CG-CG2 4.48Å; F386-V390 HydrophobicContact CZ-CG2 3.63Å; F386-V390 WeakPolarHBondContact O-CB 3.47Å; F386-V390 VanDerWaalsContact O-CG2 3.29Å; F386-V390 WeakPolarHBondContact O-CG2 3.45Å; F386-V390 PolarHBondContact O-N 3.18Å; F386-I405 HydrophobicContact CZ-CG2 4.08Å; F386-I405 WeakPolarHBondContact CZ-O 3.24Å; F386-T408 HydrophobicContact CD2-CG2 3.51Å; F386-T408 HydrophobicContact CE2-CG2 3.66Å; F386-T408 HydrophobicContact CG-CG2 4.21Å; F386-T408 HydrophobicContact CZ-CG2 4.46Å; F386-I412 HydrophobicContact CB-CD1 4.06Å; F386-I412 HydrophobicContact CD1-CD1 4.03Å; F386-I412 HydrophobicContact CG-CD1 4Å; F386-F435 HydrophobicContact CD2-CB 4.08Å; F386-F435 HydrophobicContact CD2-CD1 4.32Å; F386-F435 HydrophobicContact CE2-CB 4.19Å; F386-F435 HydrophobicContact CE2-CD1 4.12Å; F386-F435 HydrophobicContact CE2-CG 4.38Å
387	N	95.2	Very high	94.9	Very high	97 Å²	97	55.7 Å²	55.7	52%	0.519	30%	0.298	S	S	.	.	H	α-helix	trans	-61.5	-44.3	179.5	-71.6	-21.7	0	0	0	112	S383 N384 F385 V390 Q391	S383-N387 WeakPolarHBondContact O-CB 3.32Å; S383-N387 PolarHBondContact O-N 2.92Å; S383-N387 VanDerWaalsContact O-N 3.07Å; S383-N387 PolarHBondContact O-ND2 3.23Å; N384-N387 PolarHBondContact O-N 2.94Å; F385-N387 PolarHBondContact O-N 3.41Å; N387-V390 PolarHBondContact O-N 2.95Å; N387-Q391 WeakPolarHBondContact O-CB 3.41Å; N387-Q391 PolarHBondContact O-N 2.97Å
388	E	96.2	Very high	94.7	Very high	99 Å²	99	58.7 Å²	58.7	46%	0.463	31%	0.314	S	S	.	.	H	α-helix	trans	-61.4	-47.7	177.6	-72.1	177.8	-173.9	0	0	111.8	N384 F385 F386 V390 Q391 I392	N384-E388 PolarHBondContact ND2-OE1 3.04Å; N384-E388 WeakPolarHBondContact O-CG 3.37Å; N384-E388 PolarHBondContact O-N 3.4Å; F385-E388 PolarHBondContact O-N 2.87Å; F386-E388 PolarHBondContact O-N 3.36Å; E388-V390 VanDerWaalsContact C-N 3.35Å; E388-V390 PolarHBondContact O-N 2.87Å; E388-Q391 PolarHBondContact O-N 3.26Å; E388-I392 WeakPolarHBondContact O-CG1 3.22Å; E388-I392 PolarHBondContact O-N 3.2Å
389	I	96	Very high	94.6	Very high	9 Å²	9	61.8 Å²	61.8	5%	0.046	33%	0.333	C	S	.	.	H	α-helix	trans	-62.3	-41.4	178.2	-68.7	-62.3	0	0	0	111.6	K309 F385 F386 Q391 I392 T393 F435	K309-I389 HydrophobicContact CB-CD1 4.39Å; F385-I389 HydrophobicContact CD1-CG1 3.94Å; F385-I389 HydrophobicContact CE1-CD1 4.22Å; F385-I389 HydrophobicContact CE1-CG1 3.44Å; F385-I389 VanDerWaalsContact CE1-CG1 3.44Å; F385-I389 HydrophobicContact CE2-CD1 4.43Å; F385-I389 HydrophobicContact CE2-CG1 4.27Å; F385-I389 HydrophobicContact CZ-CD1 3.91Å; F385-I389 HydrophobicContact CZ-CG1 3.63Å; F385-I389 WeakPolarHBondContact O-CG1 3.46Å; F385-I389 PolarHBondContact O-N 3.09Å; F386-I389 PolarHBondContact O-N 3.31Å; I389-Q391 VanDerWaalsContact C-N 3.35Å; I389-I392 HydrophobicContact CD1-CD1 4.22Å; I389-I392 WeakPolarHBondContact O-CG1 3.39Å; I389-T393 WeakPolarHBondContact O-CB 3.26Å; I389-T393 PolarHBondContact O-N 3.2Å; I389-T393 VanDerWaalsContact O-N 3.11Å; I389-T393 PolarHBondContact O-OG1 3.46Å; I389-F435 HydrophobicContact CG2-CD1 3.79Å; I389-F435 HydrophobicContact CG2-CE1 3.91Å
390	V	96.4	Very high	94.5	Very high	33 Å²	33	60.9 Å²	60.9	20%	0.2	33%	0.328	C	S	.	.	H	α-helix	trans	-65.4	-39.9	177.2	170.4	0	0	0	0	111.2	F386 N387 E388 I392 T393 I405 F435	F386-V390 HydrophobicContact CD2-CG2 4.01Å; F386-V390 HydrophobicContact CE1-CG2 4.14Å; F386-V390 HydrophobicContact CE2-CG2 3.54Å; F386-V390 HydrophobicContact CG-CG2 4.48Å; F386-V390 HydrophobicContact CZ-CG2 3.63Å; F386-V390 WeakPolarHBondContact O-CB 3.47Å; F386-V390 VanDerWaalsContact O-CG2 3.29Å; F386-V390 WeakPolarHBondContact O-CG2 3.45Å; F386-V390 PolarHBondContact O-N 3.18Å; N387-V390 PolarHBondContact O-N 2.95Å; E388-V390 VanDerWaalsContact C-N 3.35Å; E388-V390 PolarHBondContact O-N 2.87Å; V390-I392 VanDerWaalsContact C-N 3.34Å; V390-I392 PolarHBondContact O-N 3.46Å; V390-T393 PolarHBondContact O-N 2.96Å; V390-I405 HydrophobicContact CG1-CG2 4.37Å; V390-I405 HydrophobicContact CG2-CG1 4.25Å; V390-I405 HydrophobicContact CG2-CG2 3.99Å; V390-F435 HydrophobicContact CG2-CD1 4.31Å; V390-F435 HydrophobicContact CG2-CE1 4.29Å
391	Q	96.5	Very high	94.4	Very high	153 Å²	153	60.8 Å²	60.8	72%	0.715	33%	0.329	S	S	*	.	H	α-helix	trans	-61	-42.1	-179.7	-179.8	176.9	-12.8	0	0	112.3	N387 E388 I389	N387-Q391 WeakPolarHBondContact O-CB 3.41Å; N387-Q391 PolarHBondContact O-N 2.97Å; E388-Q391 PolarHBondContact O-N 3.26Å; I389-Q391 VanDerWaalsContact C-N 3.35Å
392	I	96.2	Very high	94.5	Very high	88 Å²	88	62.9 Å²	62.9	45%	0.451	34%	0.344	S	S	.	.	H	α-helix	trans	-88.6	-8.3	-177.9	68.2	-172.8	0	0	0	113.8	I310 E388 I389 V390 P394	I310-I392 HydrophobicContact CD1-CD1 3.91Å; I310-I392 HydrophobicContact CG1-CD1 3.61Å; I310-I392 HydrophobicContact CG2-CD1 4.5Å; E388-I392 WeakPolarHBondContact O-CG1 3.22Å; E388-I392 PolarHBondContact O-N 3.2Å; I389-I392 HydrophobicContact CD1-CD1 4.22Å; I389-I392 WeakPolarHBondContact O-CG1 3.39Å; V390-I392 VanDerWaalsContact C-N 3.34Å; V390-I392 PolarHBondContact O-N 3.46Å; I392-P394 WeakPolarHBondContact O-CD 3.29Å
393	T	95.1	Very high	94.6	Very high	11 Å²	11	62.6 Å²	62.6	7%	0.067	34%	0.343	C	S	.	.	S	Bend	trans	-67	125.3	178.5	-69.7	0	0	0	0	109.9	I389 V390 T397 V401	I389-T393 WeakPolarHBondContact O-CB 3.26Å; I389-T393 PolarHBondContact O-N 3.2Å; I389-T393 VanDerWaalsContact O-N 3.11Å; I389-T393 PolarHBondContact O-OG1 3.46Å; V390-T393 PolarHBondContact O-N 2.96Å; T393-T397 HydrophobicContact CG2-CG2 3.68Å; T393-V401 HydrophobicContact CG2-CG1 4.21Å
394	P	93.7	Very high	94.8	Very high	105 Å²	105	61.3 Å²	61.3	68%	0.682	33%	0.334	S	S	*	.			trans	-58.2	141	179.5	-25.9	34.9	0	0	0	112.9	I392 T397	I392-P394 WeakPolarHBondContact O-CD 3.29Å; P394-T397 VanDerWaalsContact O-CG2 3.27Å; P394-T397 WeakPolarHBondContact O-CG2 3.48Å
395	K	94.5	Very high	94.9	Very high	161 Å²	161	60.8 Å²	60.8	70%	0.7	33%	0.331	S	S	*	.	S	Bend	trans	-118.7	144.3	180	-65.4	166.1	-172	163.1	0	109.9
396	P	96	Very high	95	Very high	132 Å²	132	61.5 Å²	61.5	86%	0.857	34%	0.343	S	S	*	.	S	Bend	cis	-73	148.1	-1.7	31.5	-35.3	0	0	0	112.6
397	T	94	Very high	95.1	Very high	43 Å²	43	61 Å²	61	26%	0.264	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-87.8	150.6	176.2	47.7	0	0	0	0	111.4	T393 P394 V401 T402 I405	T393-T397 HydrophobicContact CG2-CG2 3.68Å; P394-T397 VanDerWaalsContact O-CG2 3.27Å; P394-T397 WeakPolarHBondContact O-CG2 3.48Å; T397-V401 HydrophobicContact CG2-CB 4.47Å; T397-V401 HydrophobicContact CG2-CG1 3.61Å; T397-T402 PolarHBondContact OG1-OG1 3.12Å; T397-I405 HydrophobicContact CG2-CD1 4.36Å
398	D	91.7	Very high	95.1	Very high	66 Å²	66	56.4 Å²	56.4	35%	0.353	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-69.7	161.5	170.1	78.3	81.2	0	0	0	111.6	T400 V401 T402	D398-T400 VanDerWaalsContact C-N 3.29Å; D398-T400 PolarHBondContact O-N 3.25Å; D398-T400 WeakPolarHBondContact OD1-CA 3.39Å; D398-T400 WeakPolarHBondContact OD1-CB 3.2Å; D398-T400 PolarHBondContact OD1-N 3.32Å; D398-V401 PolarHBondContact O-N 2.78Å; D398-V401 PolarHBondContact OD1-N 2.9Å; D398-V401 WeakPolarHBondContact OD2-CG2 3.31Å; D398-T402 PolarHBondContact O-N 2.96Å; D398-T402 PolarHBondContact O-OG1 2.9Å; D398-T402 VanDerWaalsContact O-OG1 3.04Å
399	P	91.5	Very high	95.1	Very high	91 Å²	91	54.1 Å²	54.1	59%	0.591	31%	0.311	S	S	*	.	H	α-helix	trans	-55.8	-36.3	-176.2	-28.1	35.9	0	0	0	114.9	T402 V403	P399-T402 PolarHBondContact O-N 2.89Å; P399-V403 WeakPolarHBondContact O-CG2 3.23Å; P399-V403 PolarHBondContact O-N 2.92Å
400	T	91.7	Very high	95.1	Very high	15 Å²	15	54.7 Å²	54.7	9%	0.092	32%	0.317	C	S	.	.	H	α-helix	trans	-73.2	-39.7	-178.1	-54.7	0	0	0	0	110.9	D398 V403 G404 L431 T514	D398-T400 VanDerWaalsContact C-N 3.29Å; D398-T400 PolarHBondContact O-N 3.25Å; D398-T400 WeakPolarHBondContact OD1-CA 3.39Å; D398-T400 WeakPolarHBondContact OD1-CB 3.2Å; D398-T400 PolarHBondContact OD1-N 3.32Å; T400-V403 WeakPolarHBondContact O-CB 3.49Å; T400-V403 PolarHBondContact O-N 2.97Å; T400-G404 PolarHBondContact O-N 2.77Å; T400-L431 HydrophobicContact CG2-CB 4.4Å; T400-L431 HydrophobicContact CG2-CD1 3.46Å; T400-L431 VanDerWaalsContact CG2-CD1 3.46Å; T400-T514 HydrophobicContact CG2-CG2 4.24Å
401	V	94	Very high	95	Very high	17 Å²	17	53.1 Å²	53.1	10%	0.103	31%	0.307	C	S	.	.	H	α-helix	trans	-63.4	-43.8	173.4	171.5	0	0	0	0	110.5	T393 T397 D398 V403 G404 I405 L431 F435	T393-V401 HydrophobicContact CG2-CG1 4.21Å; T397-V401 HydrophobicContact CG2-CB 4.47Å; T397-V401 HydrophobicContact CG2-CG1 3.61Å; D398-V401 PolarHBondContact O-N 2.78Å; D398-V401 PolarHBondContact OD1-N 2.9Å; D398-V401 WeakPolarHBondContact OD2-CG2 3.31Å; V401-V403 VanDerWaalsContact C-N 3.31Å; V401-V403 PolarHBondContact O-N 2.77Å; V401-G404 WeakPolarHBondContact O-CA 3.47Å; V401-G404 PolarHBondContact O-N 3.02Å; V401-I405 HydrophobicContact CG1-CD1 4.41Å; V401-I405 PolarHBondContact O-N 3.06Å; V401-L431 HydrophobicContact CG2-CD1 4.49Å; V401-L431 HydrophobicContact CG2-CD2 4.11Å; V401-F435 HydrophobicContact CG1-CZ 4.03Å
402	T	95.7	Very high	94.8	Very high	64 Å²	64	47.3 Å²	47.3	39%	0.393	28%	0.281	S	S	.	.	H	α-helix	trans	-59.3	-42.1	175.6	-56.5	0	0	0	0	111.8	T397 D398 P399 G404 I405 A406	T397-T402 PolarHBondContact OG1-OG1 3.12Å; D398-T402 PolarHBondContact O-N 2.96Å; D398-T402 PolarHBondContact O-OG1 2.9Å; D398-T402 VanDerWaalsContact O-OG1 3.04Å; P399-T402 PolarHBondContact O-N 2.89Å; T402-G404 VanDerWaalsContact C-N 3.29Å; T402-G404 PolarHBondContact O-N 3.46Å; T402-I405 PolarHBondContact O-N 3.06Å; T402-A406 WeakPolarHBondContact O-CB 3.4Å; T402-A406 PolarHBondContact O-N 3.41Å
403	V	95.7	Very high	94.6	Very high	13 Å²	13	47.7 Å²	47.7	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-59.1	-40.9	172.5	162.1	0	0	0	0	111.4	P399 T400 V401 A406 V407 L432 V504 T514 I517	P399-V403 WeakPolarHBondContact O-CG2 3.23Å; P399-V403 PolarHBondContact O-N 2.92Å; T400-V403 WeakPolarHBondContact O-CB 3.49Å; T400-V403 PolarHBondContact O-N 2.97Å; V401-V403 VanDerWaalsContact C-N 3.31Å; V401-V403 PolarHBondContact O-N 2.77Å; V403-A406 PolarHBondContact O-N 2.88Å; V403-V407 WeakPolarHBondContact O-CB 3.22Å; V403-V407 WeakPolarHBondContact O-CG1 3.48Å; V403-V407 PolarHBondContact O-N 3.48Å; V403-L432 HydrophobicContact CG1-CD2 4.46Å; V403-V504 HydrophobicContact CG1-CG1 3.65Å; V403-T514 HydrophobicContact CG1-CG2 4.24Å; V403-I517 HydrophobicContact CB-CD1 4.37Å; V403-I517 HydrophobicContact CG1-CD1 3.98Å; V403-I517 HydrophobicContact CG1-CG1 3.85Å; V403-I517 HydrophobicContact CG2-CD1 4.35Å; V403-I517 HydrophobicContact CG2-CG1 4.37Å
404	G	95.7	Very high	94.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.3	-42.1	176.8	0	0	0	0	0	114.4	T400 V401 T402 T408	T400-G404 PolarHBondContact O-N 2.77Å; V401-G404 WeakPolarHBondContact O-CA 3.47Å; V401-G404 PolarHBondContact O-N 3.02Å; T402-G404 VanDerWaalsContact C-N 3.29Å; T402-G404 PolarHBondContact O-N 3.46Å; G404-T408 VanDerWaalsContact O-CB 3.31Å; G404-T408 WeakPolarHBondContact O-CB 3.47Å; G404-T408 PolarHBondContact O-N 3.19Å; G404-T408 PolarHBondContact O-OG1 3.16Å
405	I	96.8	Very high	94.3	Very high	38 Å²	38	49.8 Å²	49.8	20%	0.195	30%	0.295	C	S	.	.	H	α-helix	trans	-62.7	-51.9	173.4	-62.4	172.8	0	0	0	109.7	F386 V390 T397 V401 T402 V407 T408 S409 F435	F386-I405 HydrophobicContact CZ-CG2 4.08Å; F386-I405 WeakPolarHBondContact CZ-O 3.24Å; V390-I405 HydrophobicContact CG1-CG2 4.37Å; V390-I405 HydrophobicContact CG2-CG1 4.25Å; V390-I405 HydrophobicContact CG2-CG2 3.99Å; T397-I405 HydrophobicContact CG2-CD1 4.36Å; V401-I405 HydrophobicContact CG1-CD1 4.41Å; V401-I405 PolarHBondContact O-N 3.06Å; T402-I405 PolarHBondContact O-N 3.06Å; I405-V407 PolarHBondContact O-N 2.99Å; I405-T408 PolarHBondContact O-N 3.29Å; I405-S409 WeakPolarHBondContact O-CB 3.38Å; I405-S409 PolarHBondContact O-N 2.95Å; I405-F435 HydrophobicContact CD1-CE1 4.31Å; I405-F435 HydrophobicContact CD1-CZ 4.15Å; I405-F435 HydrophobicContact CG1-CD1 4.27Å; I405-F435 HydrophobicContact CG1-CE1 3.51Å; I405-F435 HydrophobicContact CG1-CE2 4.04Å; I405-F435 HydrophobicContact CG1-CZ 3.36Å
406	A	97.2	Very high	94.2	Very high	46 Å²	46	42.4 Å²	42.4	38%	0.38	26%	0.264	S	S	.	.	H	α-helix	trans	-62.6	-46.7	-174.8	0	0	0	0	0	112.5	T402 V403 A410 I517	T402-A406 WeakPolarHBondContact O-CB 3.4Å; T402-A406 PolarHBondContact O-N 3.41Å; V403-A406 PolarHBondContact O-N 2.88Å; A406-A410 WeakPolarHBondContact O-CB 3.4Å; A406-A410 PolarHBondContact O-N 2.87Å; A406-I517 HydrophobicContact CB-CD1 3.79Å
407	V	97.2	Very high	94.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-67.3	-39.7	-179.1	76.1	0	0	0	0	111.5	V403 I405 A410 V411 I419 L432 A502 V504 I517	V403-V407 WeakPolarHBondContact O-CB 3.22Å; V403-V407 WeakPolarHBondContact O-CG1 3.48Å; V403-V407 PolarHBondContact O-N 3.48Å; I405-V407 PolarHBondContact O-N 2.99Å; V407-A410 PolarHBondContact O-N 2.71Å; V407-V411 HydrophobicContact CG2-CG2 4.32Å; V407-V411 WeakPolarHBondContact O-CB 3.4Å; V407-V411 WeakPolarHBondContact O-CG2 3.44Å; V407-V411 PolarHBondContact O-N 3.1Å; V407-I419 HydrophobicContact CG1-CD1 4.43Å; V407-I419 HydrophobicContact CG2-CD1 4.49Å; V407-I419 HydrophobicContact CG2-CG1 4.33Å; V407-L432 HydrophobicContact CG1-CD2 3.51Å; V407-A502 HydrophobicContact CG2-CB 3.5Å; V407-V504 HydrophobicContact CB-CG2 4.28Å; V407-V504 HydrophobicContact CG1-CG2 4.4Å; V407-V504 HydrophobicContact CG2-CG2 3.83Å; V407-I517 HydrophobicContact CB-CD1 4.09Å; V407-I517 HydrophobicContact CB-CG2 4.45Å; V407-I517 HydrophobicContact CG2-CG2 4.12Å
408	T	96	Very high	94.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66.6	-44.8	179.7	-54.9	0	0	0	0	110.7	F386 G404 I405 A410 V411 I412 F435 P437	F386-T408 HydrophobicContact CD2-CG2 3.51Å; F386-T408 HydrophobicContact CE2-CG2 3.66Å; F386-T408 HydrophobicContact CG-CG2 4.21Å; F386-T408 HydrophobicContact CZ-CG2 4.46Å; G404-T408 VanDerWaalsContact O-CB 3.31Å; G404-T408 WeakPolarHBondContact O-CB 3.47Å; G404-T408 PolarHBondContact O-N 3.19Å; G404-T408 PolarHBondContact O-OG1 3.16Å; I405-T408 PolarHBondContact O-N 3.29Å; T408-A410 VanDerWaalsContact C-N 3.3Å; T408-A410 PolarHBondContact O-N 2.75Å; T408-V411 PolarHBondContact O-N 3.16Å; T408-I412 HydrophobicContact CG2-CD1 4.06Å; T408-I412 WeakPolarHBondContact O-CG1 3.42Å; T408-I412 PolarHBondContact O-N 2.94Å; T408-F435 HydrophobicContact CG2-CB 3.96Å; T408-F435 WeakPolarHBondContact OG1-CB 3.36Å; T408-P437 HydrophobicContact CG2-CB 4.18Å
409	S	96	Very high	94.4	Very high	51 Å²	51	32.6 Å²	32.6	36%	0.357	21%	0.205	S	C	.	.	H	α-helix	trans	-57.4	-44	174.3	-173.3	0	0	0	0	112	I405 S413	I405-S409 WeakPolarHBondContact O-CB 3.38Å; I405-S409 PolarHBondContact O-N 2.95Å; S409-S413 WeakPolarHBondContact O-CB 3.36Å; S409-S413 PolarHBondContact O-N 3.47Å; S409-S413 PolarHBondContact O-OG 2.87Å
410	A	95.6	Very high	94.8	Very high	21 Å²	21	28.3 Å²	28.3	17%	0.174	18%	0.177	C	C	.	.	H	α-helix	trans	-69.1	-41.9	-179.3	0	0	0	0	0	112.2	A406 V407 T408 I412 S413 M414 F519	A406-A410 WeakPolarHBondContact O-CB 3.4Å; A406-A410 PolarHBondContact O-N 2.87Å; V407-A410 PolarHBondContact O-N 2.71Å; T408-A410 VanDerWaalsContact C-N 3.3Å; T408-A410 PolarHBondContact O-N 2.75Å; A410-I412 VanDerWaalsContact C-N 3.34Å; A410-I412 PolarHBondContact O-N 3.43Å; A410-S413 PolarHBondContact O-N 2.98Å; A410-M414 WeakPolarHBondContact O-CB 3.44Å; A410-M414 VanDerWaalsContact O-CG 3.31Å; A410-M414 WeakPolarHBondContact O-CG 3.4Å; A410-M414 PolarHBondContact O-N 3.33Å; A410-F519 HydrophobicContact CB-CE1 3.63Å; A410-F519 HydrophobicContact CB-CE2 4.15Å; A410-F519 HydrophobicContact CB-CZ 3.23Å
411	V	94.2	Very high	95	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.7	-43.2	176.6	162.7	0	0	0	0	111.5	V407 T408 N415 A416 I419 P438 C439 A502	V407-V411 HydrophobicContact CG2-CG2 4.32Å; V407-V411 WeakPolarHBondContact O-CB 3.4Å; V407-V411 WeakPolarHBondContact O-CG2 3.44Å; V407-V411 PolarHBondContact O-N 3.1Å; T408-V411 PolarHBondContact O-N 3.16Å; V411-N415 WeakPolarHBondContact O-CA 3.35Å; V411-N415 PolarHBondContact O-N 3.44Å; V411-A416 HydrophobicContact CB-CB 4.28Å; V411-A416 HydrophobicContact CG1-CB 4.18Å; V411-A416 HydrophobicContact CG2-CB 4.06Å; V411-A416 PolarHBondContact O-N 3.33Å; V411-I419 HydrophobicContact CG2-CD1 4.05Å; V411-I419 HydrophobicContact CG2-CG1 3.68Å; V411-P438 HydrophobicContact CG1-CG 4.17Å; V411-C439 HydrophobicContact CG1-CB 4.2Å; V411-C439 WeakPolarHBondContact CG1-SG 3.41Å; V411-A502 HydrophobicContact CG2-CB 4.01Å
412	I	92.7	Very high	95.1	Very high	32 Å²	32	27.8 Å²	27.8	16%	0.164	17%	0.173	C	C	.	.	H	α-helix	trans	-61.3	-47.7	174.3	-67.8	166.5	0	0	0	109.9	F386 T408 A410 M414 N415 P438	F386-I412 HydrophobicContact CB-CD1 4.06Å; F386-I412 HydrophobicContact CD1-CD1 4.03Å; F386-I412 HydrophobicContact CG-CD1 4Å; T408-I412 HydrophobicContact CG2-CD1 4.06Å; T408-I412 WeakPolarHBondContact O-CG1 3.42Å; T408-I412 PolarHBondContact O-N 2.94Å; A410-I412 VanDerWaalsContact C-N 3.34Å; A410-I412 PolarHBondContact O-N 3.43Å; I412-M414 PolarHBondContact O-N 3.45Å; I412-N415 PolarHBondContact O-N 3.27Å; I412-P438 HydrophobicContact CG1-CG 3.89Å
413	S	91.6	Very high	95.1	Very high	96 Å²	96	25 Å²	25	67%	0.671	16%	0.156	S	C	*	.	H	α-helix	trans	-66.9	-37.7	-176	-56.5	0	0	0	0	113.3	S409 A410	S409-S413 WeakPolarHBondContact O-CB 3.36Å; S409-S413 PolarHBondContact O-N 3.47Å; S409-S413 PolarHBondContact O-OG 2.87Å; A410-S413 PolarHBondContact O-N 2.98Å
414	M	91.9	Very high	94.9	Very high	78 Å²	78	27.2 Å²	27.2	38%	0.384	17%	0.165	S	C	.	.	H	α-helix	trans	-87.6	-8.2	-179.3	-65.5	179.4	68.5	0	0	113	A410 I412 A416 N500 F519	A410-M414 WeakPolarHBondContact O-CB 3.44Å; A410-M414 VanDerWaalsContact O-CG 3.31Å; A410-M414 WeakPolarHBondContact O-CG 3.4Å; A410-M414 PolarHBondContact O-N 3.33Å; I412-M414 PolarHBondContact O-N 3.45Å; M414-A416 HydrophobicContact CB-CB 4.47Å; M414-A416 PolarHBondContact O-N 2.82Å; M414-N500 HydrophobicContact CE-CB 4.06Å; M414-F519 HydrophobicContact CE-CB 4.17Å; M414-F519 HydrophobicContact CE-CD1 4.26Å; M414-F519 HydrophobicContact CE-CG 4.32Å; M414-F519 HydrophobicContact SD-CB 4.41Å; M414-F519 HydrophobicContact SD-CD1 3.61Å; M414-F519 HydrophobicContact SD-CE1 4Å; M414-F519 HydrophobicContact SD-CG 3.91Å
415	N	89.9	Confident	94.7	Very high	82 Å²	82	30.8 Å²	30.8	44%	0.439	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	48.8	-166	-168.1	38.3	0	0	0	111.3	V411 I412	V411-N415 WeakPolarHBondContact O-CA 3.35Å; V411-N415 PolarHBondContact O-N 3.44Å; I412-N415 PolarHBondContact O-N 3.27Å
416	A	93.3	Very high	94.6	Very high	5 Å²	5	29 Å²	29	4%	0.041	18%	0.178	C	C	.	.			trans	-69.2	142.3	-176.7	0	0	0	0	0	110.9	V411 M414 G418 C439 N500	V411-A416 HydrophobicContact CB-CB 4.28Å; V411-A416 HydrophobicContact CG1-CB 4.18Å; V411-A416 HydrophobicContact CG2-CB 4.06Å; V411-A416 PolarHBondContact O-N 3.33Å; M414-A416 HydrophobicContact CB-CB 4.47Å; M414-A416 PolarHBondContact O-N 2.82Å; A416-G418 VanDerWaalsContact C-N 3.26Å; A416-G418 PolarHBondContact O-N 3.38Å; A416-C439 WeakPolarHBondContact O-CB 3.41Å; A416-N500 CarbonylContact C-O 3.43Å; A416-N500 WeakPolarHBondContact CA-O 3.4Å; A416-N500 HydrophobicContact CB-CB 4.39Å; A416-N500 WeakPolarHBondContact CB-O 3.41Å
417	S	93.3	Very high	94.4	Very high	35 Å²	35	34.2 Å²	34.2	25%	0.245	19%	0.188	C	C	.	.	S	Bend	trans	-75.5	-14.6	-176.4	-59.6	0	0	0	0	113.1	F495 D499 N500	S417-F495 WeakPolarHBondContact O-CD1 3.38Å; S417-F495 VanDerWaalsContact O-CE1 3.24Å; S417-F495 WeakPolarHBondContact O-CE1 3.47Å; S417-D499 WeakPolarHBondContact CB-OD2 3.43Å; S417-D499 VanDerWaalsContact OG-CB 3.31Å; S417-D499 WeakPolarHBondContact OG-CB 3.25Å; S417-D499 PolarHBondContact OG-OD2 3.15Å; S417-N500 PolarHBondContact N-O 3.01Å
418	G	95.4	Very high	94.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	165.7	-178.7	0	0	0	0	0	116.8	A416 C439 I440 F495 V501 A502	A416-G418 VanDerWaalsContact C-N 3.26Å; A416-G418 PolarHBondContact O-N 3.38Å; G418-C439 VanDerWaalsContact C-SG 3.59Å; G418-C439 WeakPolarHBondContact CA-SG 3.46Å; G418-I440 WeakPolarHBondContact CA-O 3.19Å; G418-F495 VanDerWaalsContact CA-CE1 3.4Å; G418-V501 WeakPolarHBondContact O-CA 3.47Å; G418-A502 PolarHBondContact O-N 3.07Å
419	I	97.7	Very high	94.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.3	166.8	-60.4	162.4	0	0	0	108.2	V407 V411 L432 P437 I440 L441 I442 A502 V504	V407-I419 HydrophobicContact CG1-CD1 4.43Å; V407-I419 HydrophobicContact CG2-CD1 4.49Å; V407-I419 HydrophobicContact CG2-CG1 4.33Å; V411-I419 HydrophobicContact CG2-CD1 4.05Å; V411-I419 HydrophobicContact CG2-CG1 3.68Å; I419-L432 HydrophobicContact CG2-CD1 4.06Å; I419-P437 HydrophobicContact CD1-CB 3.66Å; I419-P437 HydrophobicContact CD1-CG 3.82Å; I419-I440 PolarHBondContact N-O 2.98Å; I419-L441 HydrophobicContact CB-CB 4.41Å; I419-L441 HydrophobicContact CB-CG 4.21Å; I419-L441 HydrophobicContact CG2-CD1 4.46Å; I419-L441 HydrophobicContact CG2-CG 4.21Å; I419-L441 CarbonylContact O-C 3.57Å; I419-L441 WeakPolarHBondContact O-CA 3.3Å; I419-I442 PolarHBondContact O-N 3.33Å; I419-A502 CarbonylContact C-O 3.53Å; I419-A502 WeakPolarHBondContact CA-O 3.29Å; I419-A502 HydrophobicContact CG1-CB 4.23Å; I419-V504 HydrophobicContact CG2-CG2 4.07Å
420	I	98.3	Very high	94.4	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.1	170.7	-62.1	172.5	0	0	0	107.1	I442 I444 A485 I486 F495 V501 A502 I503 V504	I420-I442 WeakPolarHBondContact CA-O 3.12Å; I420-I442 HydrophobicContact CG1-CB 4.45Å; I420-I444 HydrophobicContact CG2-CD1 3.55Å; I420-I444 HydrophobicContact CG2-CG1 4.25Å; I420-A485 HydrophobicContact CD1-CB 4.03Å; I420-A485 HydrophobicContact CG1-CB 4.24Å; I420-A485 HydrophobicContact CG2-CB 3.65Å; I420-I486 HydrophobicContact CD1-CG1 3.57Å; I420-F495 HydrophobicContact CD1-CE2 4.29Å; I420-F495 HydrophobicContact CG1-CE2 4.41Å; I420-V501 HydrophobicContact CD1-CG2 4.44Å; I420-A502 PolarHBondContact N-O 3.44Å; I420-I503 CarbonylContact O-C 3.26Å; I420-I503 WeakPolarHBondContact O-CA 3.45Å; I420-V504 PolarHBondContact O-N 2.84Å
421	V	97.4	Very high	94.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134.5	177.3	65.1	0	0	0	0	110.8	A429 L432 L441 I442 A443 I444 V504	V421-A429 HydrophobicContact CG1-CB 3.89Å; V421-L432 HydrophobicContact CB-CD1 3.86Å; V421-L432 HydrophobicContact CG1-CD1 4.21Å; V421-L432 HydrophobicContact CG2-CD1 3.88Å; V421-L441 HydrophobicContact CG1-CD2 3.47Å; V421-L441 VanDerWaalsContact CG1-CD2 3.47Å; V421-L441 HydrophobicContact CG1-CG 4.22Å; V421-I442 PolarHBondContact N-O 3.48Å; V421-A443 HydrophobicContact CG1-CB 4.06Å; V421-I444 PolarHBondContact O-N 3.48Å; V421-V504 WeakPolarHBondContact CA-O 3.42Å; V421-V504 HydrophobicContact CB-CB 4.16Å; V421-V504 HydrophobicContact CG2-CB 4Å; V421-V504 HydrophobicContact CG2-CG1 4.03Å
422	I	95.4	Very high	94.4	Very high	21 Å²	21	33.2 Å²	33.2	11%	0.108	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	125.5	168.5	-63.5	176.7	0	0	0	108.3	I444 V478 R481 V482 V504 T505	I422-I444 HydrophobicContact CG1-CB 4.33Å; I422-I444 HydrophobicContact CG1-CD1 3.75Å; I422-V478 HydrophobicContact CD1-CB 4.27Å; I422-V478 HydrophobicContact CD1-CG1 3.88Å; I422-V478 HydrophobicContact CD1-CG2 4.15Å; I422-R481 HydrophobicContact CD1-CB 4.22Å; I422-R481 VanDerWaalsContact CG2-NH1 3.28Å; I422-V482 HydrophobicContact CD1-CG2 4.36Å; I422-V504 PolarHBondContact N-O 3.35Å; I422-T505 HydrophobicContact CD1-CG2 3.99Å; I422-T505 HydrophobicContact CG1-CG2 4.36Å
423	T	94.8	Very high	94.6	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.031	17%	0.17	C	C	.	.			trans	-146.7	136.4	179.4	-165.4	0	0	0	0	111.6	G426 S428 A429 A443 I444 V445 L454	T423-G426 WeakPolarHBondContact OG1-CA 3.46Å; T423-G426 PolarHBondContact OG1-N 3.25Å; T423-S428 PolarHBondContact OG1-N 3.35Å; T423-S428 PolarHBondContact OG1-OG 3.45Å; T423-A429 HydrophobicContact CG2-CB 4.14Å; T423-A443 HydrophobicContact CG2-CB 4.28Å; T423-I444 PolarHBondContact N-O 2.8Å; T423-V445 HydrophobicContact CG2-CG1 3.7Å; T423-V445 WeakPolarHBondContact O-CG1 3.46Å; T423-L454 HydrophobicContact CG2-CD1 4.46Å
424	E	91.7	Very high	94.7	Very high	60 Å²	60	29 Å²	29	28%	0.28	15%	0.145	S	C	.	.	S	Bend	trans	-89.5	-46.8	178.8	-61.3	-66.2	162.7	0	0	110.7	R446 T450 R481	E424-R446 IonicContact OE1-NH1 3.64Å; E424-T450 PolarHBondContact O-OG1 2.82Å; E424-R481 IonicContact OE1-NH1 2.93Å
425	T	92.3	Very high	94.9	Very high	76 Å²	76	25.2 Å²	25.2	47%	0.466	13%	0.127	S	C	.	.	S	Bend	trans	-96.7	-4.1	-177.9	63.2	0	0	0	0	114	R427 T450 P511	T425-R427 PolarHBondContact O-N 3.04Å; T425-T450 VanDerWaalsContact C-CG2 3.5Å; T425-P511 HydrophobicContact CG2-CB 4.12Å
426	G	94.9	Very high	95.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	84.4	-16.4	-173.6	0	0	0	0	0	114.6	T423 S428 A429 V430	T423-G426 WeakPolarHBondContact OG1-CA 3.46Å; T423-G426 PolarHBondContact OG1-N 3.25Å; G426-S428 VanDerWaalsContact C-N 3.27Å; G426-S428 PolarHBondContact O-N 2.95Å; G426-S428 VanDerWaalsContact O-N 3.15Å; G426-A429 PolarHBondContact O-N 2.92Å; G426-V430 WeakPolarHBondContact O-CG2 3.3Å; G426-V430 PolarHBondContact O-N 2.75Å
427	R	93.7	Very high	95.2	Very high	156 Å²	156	21.5 Å²	21.5	59%	0.589	11%	0.107	S	C	*	.	H	α-helix	trans	-53.3	-41.1	-174.7	-179.9	174.7	175.9	162.8	-0.6	113.4	T425 V430 L431	T425-R427 PolarHBondContact O-N 3.04Å; R427-V430 PolarHBondContact O-N 3.43Å; R427-L431 HydrophobicContact CG-CD1 3.96Å; R427-L431 HydrophobicContact CG-CG 4.4Å; R427-L431 WeakPolarHBondContact O-CG 3.36Å; R427-L431 PolarHBondContact O-N 3.35Å
428	S	95.3	Very high	95.2	Very high	9 Å²	9	20.7 Å²	20.7	6%	0.063	10%	0.101	C	C	.	.	H	α-helix	trans	-61.9	-49.3	178.2	-43.1	0	0	0	0	110.7	T423 G426 V430 L431 L432 T514	T423-S428 PolarHBondContact OG1-N 3.35Å; T423-S428 PolarHBondContact OG1-OG 3.45Å; G426-S428 VanDerWaalsContact C-N 3.27Å; G426-S428 PolarHBondContact O-N 2.95Å; G426-S428 VanDerWaalsContact O-N 3.15Å; S428-V430 VanDerWaalsContact C-N 3.33Å; S428-V430 PolarHBondContact O-N 3.5Å; S428-L431 PolarHBondContact O-N 3.21Å; S428-L432 VanDerWaalsContact O-CG 3.26Å; S428-L432 WeakPolarHBondContact O-CG 3.34Å; S428-L432 PolarHBondContact O-N 2.98Å; S428-T514 PolarHBondContact OG-OG1 3.06Å
429	A	96.7	Very high	95.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.9	-40.1	179	0	0	0	0	0	112.3	V421 T423 G426 L432 S433 L441 A443 L454 V460	V421-A429 HydrophobicContact CG1-CB 3.89Å; T423-A429 HydrophobicContact CG2-CB 4.14Å; G426-A429 PolarHBondContact O-N 2.92Å; A429-L432 PolarHBondContact O-N 2.92Å; A429-S433 WeakPolarHBondContact O-CB 3.42Å; A429-S433 PolarHBondContact O-N 3.3Å; A429-L441 HydrophobicContact CB-CD2 3.9Å; A429-A443 HydrophobicContact CB-CB 3.71Å; A429-L454 HydrophobicContact CB-CD1 4.23Å; A429-L454 HydrophobicContact CB-CD2 3.99Å; A429-V460 HydrophobicContact CB-CG1 4.14Å
430	V	95.9	Very high	94.9	Very high	12 Å²	12	21.8 Å²	21.8	7%	0.073	11%	0.107	C	C	.	.	H	α-helix	trans	-59	-49.2	174.5	166.6	0	0	0	0	111.8	G426 R427 S428 L432 S433 K434 Y453 L454 Y457	G426-V430 WeakPolarHBondContact O-CG2 3.3Å; G426-V430 PolarHBondContact O-N 2.75Å; R427-V430 PolarHBondContact O-N 3.43Å; S428-V430 VanDerWaalsContact C-N 3.33Å; S428-V430 PolarHBondContact O-N 3.5Å; V430-L432 VanDerWaalsContact C-N 3.31Å; V430-L432 PolarHBondContact O-N 3.14Å; V430-S433 PolarHBondContact O-N 3.05Å; V430-K434 PolarHBondContact O-N 3.14Å; V430-Y453 HydrophobicContact CG2-CE1 3.93Å; V430-L454 HydrophobicContact CG2-CD2 3.9Å; V430-Y457 HydrophobicContact CB-CD1 4.3Å; V430-Y457 HydrophobicContact CB-CE1 3.98Å; V430-Y457 HydrophobicContact CG1-CD1 4.02Å; V430-Y457 HydrophobicContact CG1-CE1 3.34Å; V430-Y457 HydrophobicContact CG2-CD1 3.99Å; V430-Y457 HydrophobicContact CG2-CD2 3.78Å; V430-Y457 HydrophobicContact CG2-CE1 3.7Å; V430-Y457 HydrophobicContact CG2-CE2 3.47Å; V430-Y457 VanDerWaalsContact CG2-CE2 3.47Å; V430-Y457 HydrophobicContact CG2-CG 4Å
431	L	94.1	Very high	94.9	Very high	29 Å²	29	21.8 Å²	21.8	15%	0.152	11%	0.107	C	C	.	.	H	α-helix	trans	-65.5	-34.9	-179.7	-71.5	173	0	0	0	112.4	T400 V401 R427 S428 K434 F435	T400-L431 HydrophobicContact CG2-CB 4.4Å; T400-L431 HydrophobicContact CG2-CD1 3.46Å; T400-L431 VanDerWaalsContact CG2-CD1 3.46Å; V401-L431 HydrophobicContact CG2-CD1 4.49Å; V401-L431 HydrophobicContact CG2-CD2 4.11Å; R427-L431 HydrophobicContact CG-CD1 3.96Å; R427-L431 HydrophobicContact CG-CG 4.4Å; R427-L431 WeakPolarHBondContact O-CG 3.36Å; R427-L431 PolarHBondContact O-N 3.35Å; S428-L431 PolarHBondContact O-N 3.21Å; L431-K434 WeakPolarHBondContact O-CB 3.49Å; L431-F435 VanDerWaalsContact O-CD2 3.26Å; L431-F435 WeakPolarHBondContact O-CD2 3.41Å; L431-F435 WeakPolarHBondContact O-CE2 3.27Å
432	L	95.9	Very high	94.9	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-68.7	-43.9	173.3	-66.5	-175.2	0	0	0	111.7	V403 V407 I419 V421 S428 A429 V430 K434 F435 L441 V504	V403-L432 HydrophobicContact CG1-CD2 4.46Å; V407-L432 HydrophobicContact CG1-CD2 3.51Å; I419-L432 HydrophobicContact CG2-CD1 4.06Å; V421-L432 HydrophobicContact CB-CD1 3.86Å; V421-L432 HydrophobicContact CG1-CD1 4.21Å; V421-L432 HydrophobicContact CG2-CD1 3.88Å; S428-L432 VanDerWaalsContact O-CG 3.26Å; S428-L432 WeakPolarHBondContact O-CG 3.34Å; S428-L432 PolarHBondContact O-N 2.98Å; A429-L432 PolarHBondContact O-N 2.92Å; V430-L432 VanDerWaalsContact C-N 3.31Å; V430-L432 PolarHBondContact O-N 3.14Å; L432-K434 PolarHBondContact O-N 3.4Å; L432-F435 PolarHBondContact O-N 3.2Å; L432-L441 HydrophobicContact CB-CD1 3.34Å; L432-L441 HydrophobicContact CD1-CD1 3.89Å; L432-L441 HydrophobicContact CG-CD1 4.25Å; L432-V504 HydrophobicContact CD1-CB 4.25Å; L432-V504 HydrophobicContact CD1-CG1 4.24Å; L432-V504 HydrophobicContact CD1-CG2 4.13Å
433	S	96.2	Very high	95	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-60.4	-32.8	178	175.8	0	0	0	0	112.7	A429 V430 F435 R436 H458	A429-S433 WeakPolarHBondContact O-CB 3.42Å; A429-S433 PolarHBondContact O-N 3.3Å; V430-S433 PolarHBondContact O-N 3.05Å; S433-F435 PolarHBondContact O-N 3.34Å; S433-F435 VanDerWaalsContact O-N 3.11Å; S433-R436 PolarHBondContact O-N 3.35Å; S433-H458 PolarHBondContact OG-O 2.8Å
434	K	95.7	Very high	95.1	Very high	35 Å²	35	20.7 Å²	20.7	15%	0.152	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-38.3	175.4	-178.6	-177.4	-179.4	175.9	0	112.9	I310 V430 L431 L432 R436	I310-K434 WeakPolarHBondContact O-CE 3.39Å; I310-K434 PolarHBondContact O-NZ 3.1Å; V430-K434 PolarHBondContact O-N 3.14Å; L431-K434 WeakPolarHBondContact O-CB 3.49Å; L432-K434 PolarHBondContact O-N 3.4Å; K434-R436 VanDerWaalsContact C-N 3.27Å; K434-R436 PolarHBondContact O-N 2.84Å
435	F	95.7	Very high	95.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	2.4	-177.1	-64.2	-71.6	0	0	0	113.9	F386 I389 V390 V401 I405 T408 L431 L432 S433	F386-F435 HydrophobicContact CD2-CB 4.08Å; F386-F435 HydrophobicContact CD2-CD1 4.32Å; F386-F435 HydrophobicContact CE2-CB 4.19Å; F386-F435 HydrophobicContact CE2-CD1 4.12Å; F386-F435 HydrophobicContact CE2-CG 4.38Å; I389-F435 HydrophobicContact CG2-CD1 3.79Å; I389-F435 HydrophobicContact CG2-CE1 3.91Å; V390-F435 HydrophobicContact CG2-CD1 4.31Å; V390-F435 HydrophobicContact CG2-CE1 4.29Å; V401-F435 HydrophobicContact CG1-CZ 4.03Å; I405-F435 HydrophobicContact CD1-CE1 4.31Å; I405-F435 HydrophobicContact CD1-CZ 4.15Å; I405-F435 HydrophobicContact CG1-CD1 4.27Å; I405-F435 HydrophobicContact CG1-CE1 3.51Å; I405-F435 HydrophobicContact CG1-CE2 4.04Å; I405-F435 HydrophobicContact CG1-CZ 3.36Å; T408-F435 HydrophobicContact CG2-CB 3.96Å; T408-F435 WeakPolarHBondContact OG1-CB 3.36Å; L431-F435 VanDerWaalsContact O-CD2 3.26Å; L431-F435 WeakPolarHBondContact O-CD2 3.41Å; L431-F435 WeakPolarHBondContact O-CE2 3.27Å; L432-F435 PolarHBondContact O-N 3.2Å; S433-F435 PolarHBondContact O-N 3.34Å; S433-F435 VanDerWaalsContact O-N 3.11Å
436	R	94.8	Very high	95.3	Very high	3 Å²	3	18.4 Å²	18.4	1%	0.011	8%	0.081	C	C	.	.			trans	49.8	57.3	176	-73.4	-80.7	175.2	141.7	-6.6	113.5	G346 A347 D348 H382 F385 S433 K434 H458	G346-R436 PolarHBondContact O-NH2 3.26Å; A347-R436 VanDerWaalsContact C-NH2 3.31Å; A347-R436 PolarHBondContact O-NH2 2.84Å; D348-R436 IonicContact OD1-CZ 2.68Å; D348-R436 IonicContact OD1-NH2 3.33Å; D348-R436 PolarHBondContact OD1-NH2 3.4Å; H382-R436 PolarHBondContact ND1-O 3.02Å; F385-R436 HydrophobicContact CD1-CB 3.69Å; F385-R436 HydrophobicContact CD1-CG 3.9Å; F385-R436 HydrophobicContact CE1-CB 3.61Å; F385-R436 HydrophobicContact CE1-CG 3.35Å; F385-R436 HydrophobicContact CZ-CG 3.88Å; S433-R436 PolarHBondContact O-N 3.35Å; K434-R436 VanDerWaalsContact C-N 3.27Å; K434-R436 PolarHBondContact O-N 2.84Å; R436-H458 VanDerWaalsContact CD-ND1 3.34Å; R436-H458 WeakPolarHBondContact CD-ND1 3.48Å; R436-H458 VanDerWaalsContact CZ-CB 3.43Å; R436-H458 VanDerWaalsContact CZ-CD2 3.49Å; R436-H458 PolarHBondContact NH1-CD2 3Å; R436-H458 VanDerWaalsContact NH1-CG 3.29Å; R436-H458 PolarHBondContact NH1-NE2 2.91Å; R436-H458 VanDerWaalsContact NH2-CB 3.34Å
437	P	94.2	Very high	95.2	Very high	6 Å²	6	23 Å²	23	4%	0.039	10%	0.103	C	C	.	.			trans	-54.9	144.2	174.5	26.1	-34.8	0	0	0	110.9	T408 I419 C439	T408-P437 HydrophobicContact CG2-CB 4.18Å; I419-P437 HydrophobicContact CD1-CB 3.66Å; I419-P437 HydrophobicContact CD1-CG 3.82Å; P437-C439 PolarHBondContact O-N 2.9Å
438	P	92.5	Very high	95.2	Very high	18 Å²	18	18.6 Å²	18.6	12%	0.117	9%	0.089	C	C	.	.	S	Bend	trans	-70.6	-16	-179.3	29.6	-36.5	0	0	0	112.9	K39 H382 V411 I412	K39-P438 VanDerWaalsContact CE-O 3.29Å; K39-P438 WeakPolarHBondContact CE-O 3.48Å; K39-P438 PolarHBondContact NZ-O 3.46Å; H382-P438 HydrophobicContact CB-CB 4.3Å; V411-P438 HydrophobicContact CG1-CG 4.17Å; I412-P438 HydrophobicContact CG1-CG 3.89Å
439	C	93.2	Very high	95.1	Very high	9 Å²	9	20 Å²	20	6%	0.061	9%	0.093	C	C	.	.	S	Bend	trans	-101.1	169.1	179.2	70.5	0	0	0	0	112.4	V411 A416 G418 P437	V411-C439 HydrophobicContact CG1-CB 4.2Å; V411-C439 WeakPolarHBondContact CG1-SG 3.41Å; A416-C439 WeakPolarHBondContact O-CB 3.41Å; G418-C439 VanDerWaalsContact C-SG 3.59Å; G418-C439 WeakPolarHBondContact CA-SG 3.46Å; P437-C439 PolarHBondContact O-N 2.9Å
440	I	95.3	Very high	95.1	Very high	13 Å²	13	20.5 Å²	20.5	7%	0.067	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	146.7	171.4	-160.6	71.4	0	0	0	110.9	K39 G418 I419 G459 Q461 Y494 F495	K39-I440 HydrophobicContact CG-CD1 4.42Å; G418-I440 WeakPolarHBondContact CA-O 3.19Å; I419-I440 PolarHBondContact N-O 2.98Å; I440-G459 WeakPolarHBondContact CD1-O 3.32Å; I440-Q461 HydrophobicContact CD1-CB 4.29Å; I440-Q461 HydrophobicContact CG1-CB 4.02Å; I440-Y494 HydrophobicContact CG2-CD1 4.38Å; I440-Y494 HydrophobicContact CG2-CD2 4.04Å; I440-Y494 HydrophobicContact CG2-CG 3.87Å; I440-F495 HydrophobicContact CG2-CE1 3.78Å; I440-F495 HydrophobicContact CG2-CZ 4.16Å
441	L	97.2	Very high	95.1	Very high	2 Å²	2	20 Å²	20	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	107.8	174.2	-176.6	163	0	0	0	109.4	I419 V421 A429 L432 A443 G459 V460 Q461	I419-L441 HydrophobicContact CB-CB 4.41Å; I419-L441 HydrophobicContact CB-CG 4.21Å; I419-L441 HydrophobicContact CG2-CD1 4.46Å; I419-L441 HydrophobicContact CG2-CG 4.21Å; I419-L441 CarbonylContact O-C 3.57Å; I419-L441 WeakPolarHBondContact O-CA 3.3Å; V421-L441 HydrophobicContact CG1-CD2 3.47Å; V421-L441 VanDerWaalsContact CG1-CD2 3.47Å; V421-L441 HydrophobicContact CG1-CG 4.22Å; A429-L441 HydrophobicContact CB-CD2 3.9Å; L432-L441 HydrophobicContact CB-CD1 3.34Å; L432-L441 HydrophobicContact CD1-CD1 3.89Å; L432-L441 HydrophobicContact CG-CD1 4.25Å; L441-A443 HydrophobicContact CD2-CB 3.97Å; L441-A443 PolarHBondContact O-N 2.77Å; L441-G459 WeakPolarHBondContact CB-O 3.49Å; L441-G459 PolarHBondContact N-O 3.39Å; L441-V460 HydrophobicContact CD2-CB 4.5Å; L441-V460 HydrophobicContact CD2-CG1 4.02Å; L441-V460 HydrophobicContact CD2-CG2 4.22Å; L441-V460 CarbonylContact O-C 3.58Å; L441-V460 WeakPolarHBondContact O-CA 3.45Å; L441-Q461 PolarHBondContact O-N 3.42Å
442	I	97.7	Very high	95.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	113.4	173.2	-56.2	180	0	0	0	108.9	I419 I420 V421 Q461 L463 A485 Y494 F495	I419-I442 PolarHBondContact O-N 3.33Å; I420-I442 WeakPolarHBondContact CA-O 3.12Å; I420-I442 HydrophobicContact CG1-CB 4.45Å; V421-I442 PolarHBondContact N-O 3.48Å; I442-Q461 CarbonylContact C-O 3.59Å; I442-Q461 WeakPolarHBondContact CA-O 3.35Å; I442-L463 HydrophobicContact CG2-CB 3.85Å; I442-L463 HydrophobicContact CG2-CD2 4.42Å; I442-A485 WeakPolarHBondContact CD1-O 3.23Å; I442-A485 HydrophobicContact CG2-CB 4.01Å; I442-Y494 HydrophobicContact CD1-CD2 3.95Å; I442-Y494 HydrophobicContact CG1-CD2 4.26Å; I442-F495 HydrophobicContact CD1-CE2 3.54Å; I442-F495 HydrophobicContact CD1-CZ 3.52Å; I442-F495 HydrophobicContact CG1-CZ 4.08Å
443	A	97.6	Very high	95.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	106.9	176.5	0	0	0	0	0	110.3	V421 T423 A429 L441 V445 L454 V460 Q461 P462 L463	V421-A443 HydrophobicContact CG1-CB 4.06Å; T423-A443 HydrophobicContact CG2-CB 4.28Å; A429-A443 HydrophobicContact CB-CB 3.71Å; L441-A443 HydrophobicContact CD2-CB 3.97Å; L441-A443 PolarHBondContact O-N 2.77Å; A443-V445 PolarHBondContact O-N 3.36Å; A443-L454 HydrophobicContact CB-CD1 3.59Å; A443-V460 HydrophobicContact CB-CG1 3.71Å; A443-Q461 PolarHBondContact N-O 3.04Å; A443-P462 CarbonylContact O-C 3.6Å; A443-P462 WeakPolarHBondContact O-CA 3.41Å; A443-L463 PolarHBondContact O-N 2.88Å
444	I	96.7	Very high	95.4	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	117.4	176.2	-53.3	160.6	0	0	0	108.4	I420 V421 I422 T423 L463 L465 R481 A485	I420-I444 HydrophobicContact CG2-CD1 3.55Å; I420-I444 HydrophobicContact CG2-CG1 4.25Å; V421-I444 PolarHBondContact O-N 3.48Å; I422-I444 HydrophobicContact CG1-CB 4.33Å; I422-I444 HydrophobicContact CG1-CD1 3.75Å; T423-I444 PolarHBondContact N-O 2.8Å; I444-L463 WeakPolarHBondContact CA-O 3.45Å; I444-L463 HydrophobicContact CG1-CD2 4.46Å; I444-L465 HydrophobicContact CG2-CB 4.49Å; I444-L465 HydrophobicContact CG2-CD1 3.68Å; I444-L465 HydrophobicContact CG2-CG 4.16Å; I444-R481 HydrophobicContact CD1-CB 4.22Å; I444-R481 VanDerWaalsContact CD1-O 3.29Å; I444-R481 WeakPolarHBondContact CD1-O 3.09Å; I444-R481 HydrophobicContact CG2-CB 4.22Å; I444-R481 HydrophobicContact CG2-CG 4.39Å; I444-A485 HydrophobicContact CD1-CB 3.66Å; I444-A485 HydrophobicContact CG1-CB 3.81Å
445	V	95.2	Very high	95.5	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	155.5	-177.5	-64	0	0	0	0	110.4	T423 A443 T450 A451 L454 P462 L463 L464 L465	T423-V445 HydrophobicContact CG2-CG1 3.7Å; T423-V445 WeakPolarHBondContact O-CG1 3.46Å; A443-V445 PolarHBondContact O-N 3.36Å; V445-T450 HydrophobicContact CB-CG2 4.33Å; V445-T450 HydrophobicContact CG1-CG2 3.76Å; V445-A451 HydrophobicContact CG2-CB 3.71Å; V445-L454 HydrophobicContact CG1-CD1 3.86Å; V445-P462 HydrophobicContact CG2-CB 4.46Å; V445-L463 PolarHBondContact N-O 3.2Å; V445-L464 HydrophobicContact CG2-CD1 4.26Å; V445-L464 WeakPolarHBondContact O-CA 3.46Å; V445-L465 PolarHBondContact O-N 3Å
446	R	92.3	Very high	95.6	Very high	87 Å²	87	21.2 Å²	21.2	33%	0.328	9%	0.094	S	C	.	.	S	Bend	trans	-103.8	-20.3	177.7	-67.6	-176.9	163.2	160.7	-4.5	113.8	E424 L464 L465	E424-R446 IonicContact OE1-NH1 3.64Å; R446-L464 WeakPolarHBondContact O-CD1 3.33Å; R446-L465 WeakPolarHBondContact CG-O 3.45Å
447	E	92.6	Very high	95.8	Very high	96 Å²	96	21.7 Å²	21.7	45%	0.449	10%	0.096	S	C	.	.			trans	-105.9	131.8	-176.9	-168	-175.4	168.5	0	0	111	R449 T450 A451	E447-R449 VanDerWaalsContact C-N 3.28Å; E447-R449 HydrophobicContact CG-CB 4.14Å; E447-R449 PolarHBondContact O-N 3.3Å; E447-R449 WeakPolarHBondContact OE1-CB 3.4Å; E447-T450 PolarHBondContact O-N 2.86Å; E447-A451 PolarHBondContact O-N 3.26Å
448	Q	93.9	Very high	96	Very high	64 Å²	64	21.8 Å²	21.8	30%	0.299	10%	0.096	S	C	.	.	H	α-helix	trans	-60.6	-37.6	178	-173.6	74.2	63.3	0	0	112	A451 R452 L464	Q448-A451 WeakPolarHBondContact O-CB 3.4Å; Q448-A451 PolarHBondContact O-N 3.31Å; Q448-R452 WeakPolarHBondContact O-CG 3.37Å; Q448-R452 PolarHBondContact O-N 3.08Å; Q448-L464 HydrophobicContact CB-CD2 4.26Å
449	R	94.7	Very high	96.2	Very high	39 Å²	39	21.1 Å²	21.1	15%	0.147	9%	0.093	C	C	.	.	H	α-helix	trans	-63	-43.7	178.2	-171.3	179.1	-71.8	-124.1	4.1	111.4	E227 E447 A451 R452 Y453	E227-R449 IonicContact OE1-NH2 2.7Å; E227-R449 PolarHBondContact OE1-NH2 2.98Å; E227-R449 VanDerWaalsContact OE1-NH2 3.08Å; E447-R449 VanDerWaalsContact C-N 3.28Å; E447-R449 HydrophobicContact CG-CB 4.14Å; E447-R449 PolarHBondContact O-N 3.3Å; E447-R449 WeakPolarHBondContact OE1-CB 3.4Å; R449-A451 VanDerWaalsContact C-N 3.34Å; R449-A451 PolarHBondContact O-N 3.43Å; R449-R452 PolarHBondContact O-N 3.2Å; R449-Y453 WeakPolarHBondContact O-CB 3.29Å; R449-Y453 PolarHBondContact O-N 3.44Å
450	T	95.6	Very high	96.4	Very high	11 Å²	11	21 Å²	21	7%	0.067	9%	0.092	C	C	.	.	H	α-helix	trans	-62.6	-41	173.7	-55.2	0	0	0	0	111.4	E424 T425 V445 E447 R452 Y453 L454	E424-T450 PolarHBondContact O-OG1 2.82Å; T425-T450 VanDerWaalsContact C-CG2 3.5Å; V445-T450 HydrophobicContact CB-CG2 4.33Å; V445-T450 HydrophobicContact CG1-CG2 3.76Å; E447-T450 PolarHBondContact O-N 2.86Å; T450-R452 VanDerWaalsContact C-N 3.34Å; T450-R452 PolarHBondContact O-N 3.38Å; T450-Y453 WeakPolarHBondContact O-CB 3.46Å; T450-Y453 PolarHBondContact O-N 3.33Å; T450-L454 HydrophobicContact CG2-CD1 4.39Å; T450-L454 WeakPolarHBondContact O-CG 3.45Å; T450-L454 PolarHBondContact O-N 2.9Å
451	A	96.9	Very high	96.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.9	-45.3	175	0	0	0	0	0	111.9	V445 E447 Q448 R449 L454 P462	V445-A451 HydrophobicContact CG2-CB 3.71Å; E447-A451 PolarHBondContact O-N 3.26Å; Q448-A451 WeakPolarHBondContact O-CB 3.4Å; Q448-A451 PolarHBondContact O-N 3.31Å; R449-A451 VanDerWaalsContact C-N 3.34Å; R449-A451 PolarHBondContact O-N 3.43Å; A451-L454 PolarHBondContact O-N 2.98Å; A451-P462 HydrophobicContact CB-CB 3.84Å; A451-P462 HydrophobicContact CB-CG 4.4Å; A451-P462 WeakPolarHBondContact O-CG 3.46Å
452	R	97.5	Very high	96.4	Very high	49 Å²	49	22.9 Å²	22.9	19%	0.185	10%	0.101	C	C	.	.	H	α-helix	trans	-67.5	-41.2	177.3	-69	-174.3	-46.6	-119.2	3.5	111.9	V99 A100 D229 F230 Q448 R449 T450 L454 Q455	V99-R452 WeakPolarHBondContact O-CD 3.4Å; A100-R452 HydrophobicContact CB-CB 3.76Å; A100-R452 HydrophobicContact CB-CG 4.36Å; D229-R452 IonicContact OD1-CZ 2.7Å; D229-R452 IonicContact OD1-NE 2.81Å; D229-R452 PolarHBondContact OD1-NE 2.94Å; D229-R452 IonicContact OD1-NH2 3.66Å; D229-R452 PolarHBondContact OD1-NH2 3.28Å; D229-R452 VanDerWaalsContact OD2-CD 3.3Å; D229-R452 WeakPolarHBondContact OD2-CD 3.46Å; D229-R452 IonicContact OD2-CZ 2.84Å; D229-R452 IonicContact OD2-NE 3.24Å; D229-R452 PolarHBondContact OD2-NE 2.87Å; F230-R452 WeakPolarHBondContact CZ-O 3.23Å; Q448-R452 WeakPolarHBondContact O-CG 3.37Å; Q448-R452 PolarHBondContact O-N 3.08Å; R449-R452 PolarHBondContact O-N 3.2Å; T450-R452 VanDerWaalsContact C-N 3.34Å; T450-R452 PolarHBondContact O-N 3.38Å; R452-L454 VanDerWaalsContact C-N 3.3Å; R452-L454 PolarHBondContact O-N 3.21Å; R452-Q455 VanDerWaalsContact O-CB 3.25Å; R452-Q455 WeakPolarHBondContact O-CB 3.37Å; R452-Q455 WeakPolarHBondContact O-CG 3.36Å; R452-Q455 PolarHBondContact O-N 2.98Å; R452-Q455 VanDerWaalsContact O-N 3.1Å
453	Y	97.3	Very high	96.3	Very high	32 Å²	32	23.8 Å²	23.8	13%	0.125	11%	0.106	C	C	.	.	H	α-helix	trans	-54.5	-44	174.7	164.9	-121.3	0	0	0	113	F230 K257 V430 R449 T450 Q455 L456 Y457	F230-Y453 HydrophobicContact CE1-CD2 4.31Å; K257-Y453 HydrophobicContact CD-CD2 4.14Å; K257-Y453 HydrophobicContact CD-CE2 3.91Å; K257-Y453 HydrophobicContact CG-CD2 3.64Å; K257-Y453 HydrophobicContact CG-CE2 3.81Å; V430-Y453 HydrophobicContact CG2-CE1 3.93Å; R449-Y453 WeakPolarHBondContact O-CB 3.29Å; R449-Y453 PolarHBondContact O-N 3.44Å; T450-Y453 WeakPolarHBondContact O-CB 3.46Å; T450-Y453 PolarHBondContact O-N 3.33Å; Y453-Q455 PolarHBondContact O-N 3.24Å; Y453-Q455 VanDerWaalsContact O-N 3.16Å; Y453-L456 PolarHBondContact O-N 2.75Å; Y453-Y457 HydrophobicContact CD2-CE2 4.32Å; Y453-Y457 HydrophobicContact CE1-CE2 4.11Å; Y453-Y457 AromaticContact CE2-CE2 3.59Å; Y453-Y457 HydrophobicContact CE2-CE2 3.59Å; Y453-Y457 AromaticContact CZ-CE2 3.47Å; Y453-Y457 VanDerWaalsContact CZ-CE2 3.47Å; Y453-Y457 AromaticContact CZ-CZ 3.96Å; Y453-Y457 WeakPolarHBondContact OH-CE2 3.42Å; Y453-Y457 PolarHBondContact OH-OH 2.78Å
454	L	97.9	Very high	96.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-66.9	-14	-178.2	-70.3	176.5	0	0	0	113.8	T423 A429 V430 A443 V445 T450 A451 R452 L456 Y457 V460	T423-L454 HydrophobicContact CG2-CD1 4.46Å; A429-L454 HydrophobicContact CB-CD1 4.23Å; A429-L454 HydrophobicContact CB-CD2 3.99Å; V430-L454 HydrophobicContact CG2-CD2 3.9Å; A443-L454 HydrophobicContact CB-CD1 3.59Å; V445-L454 HydrophobicContact CG1-CD1 3.86Å; T450-L454 HydrophobicContact CG2-CD1 4.39Å; T450-L454 WeakPolarHBondContact O-CG 3.45Å; T450-L454 PolarHBondContact O-N 2.9Å; A451-L454 PolarHBondContact O-N 2.98Å; R452-L454 VanDerWaalsContact C-N 3.3Å; R452-L454 PolarHBondContact O-N 3.21Å; L454-L456 PolarHBondContact O-N 2.92Å; L454-L456 VanDerWaalsContact O-N 3.16Å; L454-Y457 HydrophobicContact CD2-CD2 4.49Å; L454-Y457 PolarHBondContact O-N 2.88Å; L454-V460 HydrophobicContact CB-CG1 3.79Å; L454-V460 HydrophobicContact CD1-CG1 3.99Å; L454-V460 HydrophobicContact CD2-CG1 4.2Å; L454-V460 HydrophobicContact CG-CG1 4.21Å
455	Q	97.6	Very high	95.9	Very high	13 Å²	13	26.6 Å²	26.6	6%	0.061	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-63.5	-16.4	173.6	-65.5	-65	-8.9	0	0	113.8	I66 S98 R452 Y453 Y457	I66-Q455 HydrophobicContact CD1-CB 4.26Å; I66-Q455 HydrophobicContact CG1-CB 4.05Å; S98-Q455 WeakPolarHBondContact O-CG 3.29Å; S98-Q455 PolarHBondContact O-NE2 2.75Å; R452-Q455 VanDerWaalsContact O-CB 3.25Å; R452-Q455 WeakPolarHBondContact O-CB 3.37Å; R452-Q455 WeakPolarHBondContact O-CG 3.36Å; R452-Q455 PolarHBondContact O-N 2.98Å; R452-Q455 VanDerWaalsContact O-N 3.1Å; Y453-Q455 PolarHBondContact O-N 3.24Å; Y453-Q455 VanDerWaalsContact O-N 3.16Å; Q455-Y457 VanDerWaalsContact C-N 3.29Å
456	L	98	Very high	95.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-76.5	-13.6	173.7	-76.5	171.6	0	0	0	113.7	I66 F230 I259 P314 I316 D348 Y453 L454	I66-L456 HydrophobicContact CD1-CD2 3.69Å; I66-L456 HydrophobicContact CD1-CG 4.14Å; F230-L456 HydrophobicContact CD1-CD1 3.74Å; F230-L456 HydrophobicContact CD2-CD1 4.19Å; F230-L456 HydrophobicContact CD2-CD2 4.36Å; F230-L456 HydrophobicContact CD2-CG 4.3Å; F230-L456 HydrophobicContact CE1-CD1 3.43Å; F230-L456 VanDerWaalsContact CE1-CD1 3.43Å; F230-L456 HydrophobicContact CE1-CG 4.07Å; F230-L456 HydrophobicContact CE2-CD1 3.9Å; F230-L456 HydrophobicContact CE2-CD2 4.11Å; F230-L456 HydrophobicContact CE2-CG 3.71Å; F230-L456 HydrophobicContact CG-CD1 4.13Å; F230-L456 HydrophobicContact CZ-CD1 3.5Å; F230-L456 HydrophobicContact CZ-CD2 4.46Å; F230-L456 HydrophobicContact CZ-CG 3.58Å; I259-L456 HydrophobicContact CD1-CD1 3.89Å; P314-L456 HydrophobicContact CB-CB 3.92Å; P314-L456 WeakPolarHBondContact CB-O 3.3Å; P314-L456 HydrophobicContact CG-CB 4.15Å; P314-L456 HydrophobicContact CG-CD1 4.35Å; I316-L456 HydrophobicContact CD1-CD2 4.19Å; D348-L456 WeakPolarHBondContact CB-O 3.33Å; Y453-L456 PolarHBondContact O-N 2.75Å; L454-L456 PolarHBondContact O-N 2.92Å; L454-L456 VanDerWaalsContact O-N 3.16Å
457	Y	98.3	Very high	94.9	Very high	13 Å²	13	35.6 Å²	35.6	5%	0.051	17%	0.168	C	C	.	.	S	Bend	trans	-107.6	129.5	-170.4	-70.7	-90.2	0	0	0	111.8	P314 V430 Y453 L454 Q455 G459 V460	P314-Y457 HydrophobicContact CB-CE1 4.23Å; P314-Y457 WeakPolarHBondContact CD-OH 3.34Å; P314-Y457 HydrophobicContact CG-CE1 4.23Å; P314-Y457 HydrophobicContact CG-CE2 4.21Å; V430-Y457 HydrophobicContact CB-CD1 4.3Å; V430-Y457 HydrophobicContact CB-CE1 3.98Å; V430-Y457 HydrophobicContact CG1-CD1 4.02Å; V430-Y457 HydrophobicContact CG1-CE1 3.34Å; V430-Y457 HydrophobicContact CG2-CD1 3.99Å; V430-Y457 HydrophobicContact CG2-CD2 3.78Å; V430-Y457 HydrophobicContact CG2-CE1 3.7Å; V430-Y457 HydrophobicContact CG2-CE2 3.47Å; V430-Y457 VanDerWaalsContact CG2-CE2 3.47Å; V430-Y457 HydrophobicContact CG2-CG 4Å; Y453-Y457 HydrophobicContact CD2-CE2 4.32Å; Y453-Y457 HydrophobicContact CE1-CE2 4.11Å; Y453-Y457 AromaticContact CE2-CE2 3.59Å; Y453-Y457 HydrophobicContact CE2-CE2 3.59Å; Y453-Y457 AromaticContact CZ-CE2 3.47Å; Y453-Y457 VanDerWaalsContact CZ-CE2 3.47Å; Y453-Y457 AromaticContact CZ-CZ 3.96Å; Y453-Y457 WeakPolarHBondContact OH-CE2 3.42Å; Y453-Y457 PolarHBondContact OH-OH 2.78Å; L454-Y457 HydrophobicContact CD2-CD2 4.49Å; L454-Y457 PolarHBondContact O-N 2.88Å; Q455-Y457 VanDerWaalsContact C-N 3.29Å; Y457-G459 PolarHBondContact O-N 2.83Å; Y457-V460 PolarHBondContact O-N 2.73Å
458	H	97.5	Very high	94.1	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.037	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	130	-178.6	174.8	-86.6	0	0	0	112.4	K39 D348 S433 R436 V460	K39-H458 VanDerWaalsContact CB-NE2 3.29Å; K39-H458 WeakPolarHBondContact CB-NE2 3.49Å; K39-H458 WeakPolarHBondContact O-CA 3.35Å; D348-H458 HydrophobicContact CB-CB 4.22Å; S433-H458 PolarHBondContact OG-O 2.8Å; R436-H458 VanDerWaalsContact CD-ND1 3.34Å; R436-H458 WeakPolarHBondContact CD-ND1 3.48Å; R436-H458 VanDerWaalsContact CZ-CB 3.43Å; R436-H458 VanDerWaalsContact CZ-CD2 3.49Å; R436-H458 PolarHBondContact NH1-CD2 3Å; R436-H458 VanDerWaalsContact NH1-CG 3.29Å; R436-H458 PolarHBondContact NH1-NE2 2.91Å; R436-H458 VanDerWaalsContact NH2-CB 3.34Å; H458-V460 PolarHBondContact O-N 2.85Å
459	G	96.4	Very high	93.3	Very high	5 Å²	5	33.3 Å²	33.3	5%	0.052	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	2.5	173.9	0	0	0	0	0	114.6	K39 I440 L441 Y457	K39-G459 PolarHBondContact O-N 3.45Å; I440-G459 WeakPolarHBondContact CD1-O 3.32Å; L441-G459 WeakPolarHBondContact CB-O 3.49Å; L441-G459 PolarHBondContact N-O 3.39Å; Y457-G459 PolarHBondContact O-N 2.83Å
460	V	97.6	Very high	92.8	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.042	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	114.2	178.2	-176	0	0	0	0	110	A429 L441 A443 L454 Y457 H458 P462	A429-V460 HydrophobicContact CB-CG1 4.14Å; L441-V460 HydrophobicContact CD2-CB 4.5Å; L441-V460 HydrophobicContact CD2-CG1 4.02Å; L441-V460 HydrophobicContact CD2-CG2 4.22Å; L441-V460 CarbonylContact O-C 3.58Å; L441-V460 WeakPolarHBondContact O-CA 3.45Å; A443-V460 HydrophobicContact CB-CG1 3.71Å; L454-V460 HydrophobicContact CB-CG1 3.79Å; L454-V460 HydrophobicContact CD1-CG1 3.99Å; L454-V460 HydrophobicContact CD2-CG1 4.2Å; L454-V460 HydrophobicContact CG-CG1 4.21Å; Y457-V460 PolarHBondContact O-N 2.73Å; H458-V460 PolarHBondContact O-N 2.85Å; V460-P462 WeakPolarHBondContact O-CD 3.49Å
461	Q	96.2	Very high	92.3	Very high	48 Å²	48	43.2 Å²	43.2	22%	0.224	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	105.4	171.3	-178.5	62.8	27.7	0	0	109.7	I440 L441 I442 A443 L463 Y494	I440-Q461 HydrophobicContact CD1-CB 4.29Å; I440-Q461 HydrophobicContact CG1-CB 4.02Å; L441-Q461 PolarHBondContact O-N 3.42Å; I442-Q461 CarbonylContact C-O 3.59Å; I442-Q461 WeakPolarHBondContact CA-O 3.35Å; A443-Q461 PolarHBondContact N-O 3.04Å; Q461-L463 PolarHBondContact O-N 3.01Å; Q461-Y494 HydrophobicContact CB-CE2 4.47Å; Q461-Y494 HydrophobicContact CG-CE2 3.93Å
462	P	96.6	Very high	91.6	Very high	6 Å²	6	49.7 Å²	49.7	4%	0.039	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	131.6	177.4	29	-34.6	0	0	0	111	A443 V445 A451 V460	A443-P462 CarbonylContact O-C 3.6Å; A443-P462 WeakPolarHBondContact O-CA 3.41Å; V445-P462 HydrophobicContact CG2-CB 4.46Å; A451-P462 HydrophobicContact CB-CB 3.84Å; A451-P462 HydrophobicContact CB-CG 4.4Å; A451-P462 WeakPolarHBondContact O-CG 3.46Å; V460-P462 WeakPolarHBondContact O-CD 3.49Å
463	L	95.6	Very high	91.3	Very high	18 Å²	18	49.4 Å²	49.4	9%	0.094	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	108.5	166.9	177	60.7	0	0	0	108.7	I442 A443 I444 V445 Q461 L465 A485 H488	I442-L463 HydrophobicContact CG2-CB 3.85Å; I442-L463 HydrophobicContact CG2-CD2 4.42Å; A443-L463 PolarHBondContact O-N 2.88Å; I444-L463 WeakPolarHBondContact CA-O 3.45Å; I444-L463 HydrophobicContact CG1-CD2 4.46Å; V445-L463 PolarHBondContact N-O 3.2Å; Q461-L463 PolarHBondContact O-N 3.01Å; L463-L465 HydrophobicContact CD1-CD2 4.34Å; L463-L465 HydrophobicContact CD2-CD1 4.34Å; L463-L465 HydrophobicContact CD2-CD2 4.42Å; L463-L465 HydrophobicContact CD2-CG 4.36Å; L463-L465 HydrophobicContact CG-CD2 4.18Å; L463-L465 HydrophobicContact CG-CG 4.1Å; L463-L465 PolarHBondContact O-N 3.23Å; L463-A485 VanDerWaalsContact CD2-CA 3.49Å; L463-A485 HydrophobicContact CD2-CB 3.86Å; L463-H488 HydrophobicContact CD1-CB 4.2Å; L463-H488 HydrophobicContact CD2-CB 4Å
464	L	94.5	Very high	90.7	Very high	38 Å²	38	50.7 Å²	50.7	20%	0.199	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	113.1	179.6	-178	66.8	0	0	0	110.8	V445 R446 Q448 M466	V445-L464 HydrophobicContact CG2-CD1 4.26Å; V445-L464 WeakPolarHBondContact O-CA 3.46Å; R446-L464 WeakPolarHBondContact O-CD1 3.33Å; Q448-L464 HydrophobicContact CB-CD2 4.26Å; L464-M466 HydrophobicContact CD1-CG 3.96Å; L464-M466 HydrophobicContact CD2-CE 4.34Å; L464-M466 HydrophobicContact CD2-CG 4.04Å; L464-M466 HydrophobicContact CD2-SD 4.09Å; L464-M466 HydrophobicContact CG-CG 3.85Å
465	L	92.3	Very high	90.3	Very high	24 Å²	24	56 Å²	56	13%	0.126	29%	0.294	C	S	.	.			trans	-118.2	88.7	173.6	-61	-178.9	0	0	0	109.2	I444 V445 R446 L463 R481 E484	I444-L465 HydrophobicContact CG2-CB 4.49Å; I444-L465 HydrophobicContact CG2-CD1 3.68Å; I444-L465 HydrophobicContact CG2-CG 4.16Å; V445-L465 PolarHBondContact O-N 3Å; R446-L465 WeakPolarHBondContact CG-O 3.45Å; L463-L465 HydrophobicContact CD1-CD2 4.34Å; L463-L465 HydrophobicContact CD2-CD1 4.34Å; L463-L465 HydrophobicContact CD2-CD2 4.42Å; L463-L465 HydrophobicContact CD2-CG 4.36Å; L463-L465 HydrophobicContact CG-CD2 4.18Å; L463-L465 HydrophobicContact CG-CG 4.1Å; L463-L465 PolarHBondContact O-N 3.23Å; L465-R481 HydrophobicContact CD1-CB 4.25Å; L465-R481 HydrophobicContact CD1-CG 4Å; L465-E484 HydrophobicContact CD1-CB 3.74Å; L465-E484 HydrophobicContact CD1-CG 4.24Å; L465-E484 HydrophobicContact CD2-CB 4.27Å
466	M	84	Confident	90	Very high	133 Å²	133	60.7 Å²	60.7	66%	0.655	32%	0.316	S	S	*	.			trans	-73.5	-32.7	-178.2	-66.1	-177.6	-70.7	0	0	112.6	L464	L464-M466 HydrophobicContact CD1-CG 3.96Å; L464-M466 HydrophobicContact CD2-CE 4.34Å; L464-M466 HydrophobicContact CD2-CG 4.04Å; L464-M466 HydrophobicContact CD2-SD 4.09Å; L464-M466 HydrophobicContact CG-CG 3.85Å
467	E	82.3	Confident	89.7	Confident	143 Å²	143	61.2 Å²	61.2	67%	0.668	32%	0.32	S	S	*	.	S	Bend	trans	-74.1	131.6	-177.8	-65.6	-168.6	178.1	0	0	111.2
468	P	75.5	Confident	89.4	Confident	99 Å²	99	60.8 Å²	60.8	64%	0.643	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-65.7	150.7	171.5	29.3	-33.2	0	0	0	109.7
469	A	77.7	Confident	89.2	Confident	14 Å²	14	63.1 Å²	63.1	12%	0.116	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-60.6	144.9	171.2	0	0	0	0	0	109.4	T471 Y480	A469-T471 HydrophobicContact CB-CG2 3.77Å; A469-T471 PolarHBondContact O-N 3.06Å; A469-Y480 HydrophobicContact CB-CD1 3.84Å; A469-Y480 HydrophobicContact CB-CG 4.22Å
470	K	83.7	Confident	89.1	Confident	217 Å²	217	67.2 Å²	67.2	94%	0.943	34%	0.344	S	S	*	.	S	Bend	trans	-74	36.7	177.9	-61.1	-178.1	-178.8	177.9	0	112.7
471	T	84.9	Confident	88.9	Confident	41 Å²	41	67.6 Å²	67.6	25%	0.252	35%	0.345	S	S	.	.			trans	-145.6	146.5	-176.7	177.8	0	0	0	0	110.2	A469 S473 E476	A469-T471 HydrophobicContact CB-CG2 3.77Å; A469-T471 PolarHBondContact O-N 3.06Å; T471-S473 WeakPolarHBondContact OG1-CB 3.38Å; T471-S473 PolarHBondContact OG1-N 3.27Å; T471-E476 VanDerWaalsContact CB-OE2 3.3Å; T471-E476 WeakPolarHBondContact CB-OE2 3.42Å; T471-E476 HydrophobicContact CG2-CB 3.64Å; T471-E476 PolarHBondContact OG1-OE2 3.36Å
472	T	82.5	Confident	88.9	Confident	136 Å²	136	65.3 Å²	65.3	83%	0.834	33%	0.334	S	S	*	.	S	Bend	trans	-83.8	-21	172.2	55	0	0	0	0	112.1	F474	T472-F474 PolarHBondContact O-N 3.23Å
473	S	90.5	Very high	88.8	Confident	43 Å²	43	68.6 Å²	68.6	30%	0.301	35%	0.351	S	S	.	.			trans	-65.5	126.4	179.4	174.2	0	0	0	0	111	T471 L475 E476 S477	T471-S473 WeakPolarHBondContact OG1-CB 3.38Å; T471-S473 PolarHBondContact OG1-N 3.27Å; S473-L475 VanDerWaalsContact C-N 3.33Å; S473-L475 PolarHBondContact O-N 3.16Å; S473-L475 PolarHBondContact OG-N 3.3Å; S473-E476 PolarHBondContact OG-N 3.33Å; S473-S477 WeakPolarHBondContact O-CB 3.37Å; S473-S477 PolarHBondContact O-N 3.08Å
474	F	86.3	Confident	88.8	Confident	58 Å²	58	70.9 Å²	70.9	25%	0.254	36%	0.362	S	S	.	.	H	α-helix	trans	-61.8	-43.9	176.3	174.1	-113.4	0	0	0	111.5	T472 S477 V478 R507 K509	T472-F474 PolarHBondContact O-N 3.23Å; F474-S477 PolarHBondContact O-N 3.19Å; F474-V478 HydrophobicContact CD2-CG2 4.3Å; F474-V478 HydrophobicContact CE1-CG2 4.13Å; F474-V478 HydrophobicContact CE2-CG2 3.87Å; F474-V478 HydrophobicContact CZ-CG2 3.78Å; F474-V478 WeakPolarHBondContact O-CG2 3.41Å; F474-V478 PolarHBondContact O-N 3.08Å; F474-R507 WeakPolarHBondContact CE1-O 3.44Å; F474-K509 HydrophobicContact CD2-CB 4.49Å; F474-K509 HydrophobicContact CD2-CD 4.22Å; F474-K509 HydrophobicContact CD2-CG 3.32Å; F474-K509 HydrophobicContact CE2-CB 4.46Å; F474-K509 HydrophobicContact CE2-CG 3.69Å; F474-K509 HydrophobicContact CG-CG 4.21Å
475	L	89	Confident	88.9	Confident	111 Å²	111	69.1 Å²	69.1	58%	0.581	35%	0.352	S	S	*	.	H	α-helix	trans	-66.5	-47.2	-176.1	-172.5	64.5	0	0	0	110.7	S473 S477 V478 E479	S473-L475 VanDerWaalsContact C-N 3.33Å; S473-L475 PolarHBondContact O-N 3.16Å; S473-L475 PolarHBondContact OG-N 3.3Å; L475-S477 VanDerWaalsContact C-N 3.28Å; L475-S477 PolarHBondContact O-N 2.98Å; L475-V478 WeakPolarHBondContact O-CB 3.36Å; L475-V478 PolarHBondContact O-N 3.14Å; L475-E479 WeakPolarHBondContact O-CG 3.48Å; L475-E479 PolarHBondContact O-N 3.15Å
476	E	91.7	Very high	89.1	Confident	112 Å²	112	68.2 Å²	68.2	52%	0.523	35%	0.348	S	S	.	.	H	α-helix	trans	-62.8	-36.4	176.6	-64.7	175.4	-179.7	0	0	111.8	T471 S473 V478 E479 Y480	T471-E476 VanDerWaalsContact CB-OE2 3.3Å; T471-E476 WeakPolarHBondContact CB-OE2 3.42Å; T471-E476 HydrophobicContact CG2-CB 3.64Å; T471-E476 PolarHBondContact OG1-OE2 3.36Å; S473-E476 PolarHBondContact OG-N 3.33Å; E476-V478 VanDerWaalsContact C-N 3.32Å; E476-V478 PolarHBondContact O-N 2.69Å; E476-E479 PolarHBondContact O-N 3.44Å; E476-Y480 WeakPolarHBondContact O-CB 3.42Å; E476-Y480 PolarHBondContact O-N 2.87Å
477	S	91	Very high	89.6	Confident	11 Å²	11	65.1 Å²	65.1	8%	0.077	33%	0.333	C	S	.	.	H	α-helix	trans	-66	-33	173.7	179.7	0	0	0	0	113.1	S473 F474 L475 R481	S473-S477 WeakPolarHBondContact O-CB 3.37Å; S473-S477 PolarHBondContact O-N 3.08Å; F474-S477 PolarHBondContact O-N 3.19Å; L475-S477 VanDerWaalsContact C-N 3.28Å; L475-S477 PolarHBondContact O-N 2.98Å; S477-R481 WeakPolarHBondContact O-CG 3.39Å; S477-R481 PolarHBondContact O-N 2.88Å; S477-R481 PolarHBondContact O-NE 3.22Å; S477-R481 VanDerWaalsContact O-NE 3.12Å
478	V	92.1	Very high	90.2	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.024	31%	0.306	C	S	.	.	H	α-helix	trans	-69	-50.1	172.5	165.5	0	0	0	0	110.1	I422 F474 L475 E476 Y480 R481 V482 T505	I422-V478 HydrophobicContact CD1-CB 4.27Å; I422-V478 HydrophobicContact CD1-CG1 3.88Å; I422-V478 HydrophobicContact CD1-CG2 4.15Å; F474-V478 HydrophobicContact CD2-CG2 4.3Å; F474-V478 HydrophobicContact CE1-CG2 4.13Å; F474-V478 HydrophobicContact CE2-CG2 3.87Å; F474-V478 HydrophobicContact CZ-CG2 3.78Å; F474-V478 WeakPolarHBondContact O-CG2 3.41Å; F474-V478 PolarHBondContact O-N 3.08Å; L475-V478 WeakPolarHBondContact O-CB 3.36Å; L475-V478 PolarHBondContact O-N 3.14Å; E476-V478 VanDerWaalsContact C-N 3.32Å; E476-V478 PolarHBondContact O-N 2.69Å; V478-Y480 PolarHBondContact O-N 2.61Å; V478-R481 PolarHBondContact O-N 3.46Å; V478-V482 HydrophobicContact CG1-CG2 4.34Å; V478-V482 WeakPolarHBondContact O-CG2 3.41Å; V478-V482 PolarHBondContact O-N 3.21Å; V478-T505 HydrophobicContact CG1-CG2 3.87Å
479	E	93.3	Very high	91.1	Very high	58 Å²	58	54.5 Å²	54.5	27%	0.271	28%	0.275	S	S	.	.	H	α-helix	trans	-61.6	-41.7	-179.6	-66.4	-51.3	132.2	0	0	112.4	L475 E476 R481 V482 N483 R518	L475-E479 WeakPolarHBondContact O-CG 3.48Å; L475-E479 PolarHBondContact O-N 3.15Å; E476-E479 PolarHBondContact O-N 3.44Å; E479-R481 PolarHBondContact O-N 3.33Å; E479-V482 PolarHBondContact O-N 3.48Å; E479-N483 WeakPolarHBondContact O-CB 3.35Å; E479-N483 VanDerWaalsContact O-CG 3.28Å; E479-N483 PolarHBondContact O-N 2.84Å; E479-N483 PolarHBondContact O-ND2 3.44Å; E479-R518 IonicContact OE1-CZ 3.12Å; E479-R518 VanDerWaalsContact OE1-CZ 3.24Å; E479-R518 IonicContact OE1-NH1 2.71Å; E479-R518 PolarHBondContact OE1-NH1 3.32Å; E479-R518 IonicContact OE1-NH2 3.57Å; E479-R518 PolarHBondContact OE1-NH2 2.55Å
480	Y	93.9	Very high	91.9	Very high	91 Å²	91	57 Å²	57	36%	0.357	28%	0.283	S	S	.	.	H	α-helix	trans	-54.4	-51	172.6	170.1	-103.4	0	0	0	111.8	A469 E476 V478 V482 N483 E484	A469-Y480 HydrophobicContact CB-CD1 3.84Å; A469-Y480 HydrophobicContact CB-CG 4.22Å; E476-Y480 WeakPolarHBondContact O-CB 3.42Å; E476-Y480 PolarHBondContact O-N 2.87Å; V478-Y480 PolarHBondContact O-N 2.61Å; Y480-V482 VanDerWaalsContact C-N 3.35Å; Y480-V482 PolarHBondContact O-N 3.25Å; Y480-N483 PolarHBondContact O-N 2.84Å; Y480-E484 HydrophobicContact CD2-CG 4.47Å; Y480-E484 HydrophobicContact CE1-CG 4.15Å; Y480-E484 HydrophobicContact CE2-CG 3.99Å; Y480-E484 WeakPolarHBondContact O-CG 3.36Å; Y480-E484 PolarHBondContact O-N 3.4Å
481	R	94.6	Very high	92.3	Very high	14 Å²	14	54 Å²	54	5%	0.053	27%	0.273	C	S	.	.	H	α-helix	trans	-64.6	-39.1	-178.9	-76.6	-174.5	-70.6	173.7	2.1	112.4	I422 E424 I444 L465 S477 V478 E479 E484 A485	I422-R481 HydrophobicContact CD1-CB 4.22Å; I422-R481 VanDerWaalsContact CG2-NH1 3.28Å; E424-R481 IonicContact OE1-NH1 2.93Å; I444-R481 HydrophobicContact CD1-CB 4.22Å; I444-R481 VanDerWaalsContact CD1-O 3.29Å; I444-R481 WeakPolarHBondContact CD1-O 3.09Å; I444-R481 HydrophobicContact CG2-CB 4.22Å; I444-R481 HydrophobicContact CG2-CG 4.39Å; L465-R481 HydrophobicContact CD1-CB 4.25Å; L465-R481 HydrophobicContact CD1-CG 4Å; S477-R481 WeakPolarHBondContact O-CG 3.39Å; S477-R481 PolarHBondContact O-N 2.88Å; S477-R481 PolarHBondContact O-NE 3.22Å; S477-R481 VanDerWaalsContact O-NE 3.12Å; V478-R481 PolarHBondContact O-N 3.46Å; E479-R481 PolarHBondContact O-N 3.33Å; R481-E484 PolarHBondContact O-N 3.32Å; R481-A485 PolarHBondContact O-N 3.13Å
482	V	95.4	Very high	92.6	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-63.3	-45.3	174.9	168.6	0	0	0	0	110.5	I422 V478 E479 Y480 E484 A485 I486 I503	I422-V482 HydrophobicContact CD1-CG2 4.36Å; V478-V482 HydrophobicContact CG1-CG2 4.34Å; V478-V482 WeakPolarHBondContact O-CG2 3.41Å; V478-V482 PolarHBondContact O-N 3.21Å; E479-V482 PolarHBondContact O-N 3.48Å; Y480-V482 VanDerWaalsContact C-N 3.35Å; Y480-V482 PolarHBondContact O-N 3.25Å; V482-E484 VanDerWaalsContact C-N 3.34Å; V482-E484 PolarHBondContact O-N 2.93Å; V482-A485 WeakPolarHBondContact O-CB 3.35Å; V482-A485 PolarHBondContact O-N 3.49Å; V482-A485 VanDerWaalsContact O-N 3.12Å; V482-I486 HydrophobicContact CG1-CD1 3.97Å; V482-I486 HydrophobicContact CG1-CG1 4.45Å; V482-I486 WeakPolarHBondContact O-CG1 3.44Å; V482-I486 PolarHBondContact O-N 3.22Å; V482-I503 HydrophobicContact CG1-CD1 3.53Å; V482-I503 HydrophobicContact CG1-CG1 4Å; V482-I503 HydrophobicContact CG2-CG2 3.83Å
483	N	95.1	Very high	93.1	Very high	74 Å²	74	52.9 Å²	52.9	40%	0.396	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-41.1	177.7	-73.8	-28.1	0	0	0	112.1	E479 Y480 A485 I486 N487	E479-N483 WeakPolarHBondContact O-CB 3.35Å; E479-N483 VanDerWaalsContact O-CG 3.28Å; E479-N483 PolarHBondContact O-N 2.84Å; E479-N483 PolarHBondContact O-ND2 3.44Å; Y480-N483 PolarHBondContact O-N 2.84Å; N483-A485 VanDerWaalsContact C-N 3.31Å; N483-A485 PolarHBondContact O-N 2.64Å; N483-I486 PolarHBondContact O-N 2.98Å; N483-N487 WeakPolarHBondContact O-CB 3.27Å; N483-N487 VanDerWaalsContact O-CG 3.23Å; N483-N487 PolarHBondContact O-N 2.87Å; N483-N487 PolarHBondContact O-ND2 2.87Å
484	E	95	Very high	93.1	Very high	67 Å²	67	52.3 Å²	52.3	31%	0.313	26%	0.258	S	S	.	.	H	α-helix	trans	-60	-40.8	172.7	-73.5	-58.4	108.1	0	0	112	L465 Y480 R481 V482 N487 H488	L465-E484 HydrophobicContact CD1-CB 3.74Å; L465-E484 HydrophobicContact CD1-CG 4.24Å; L465-E484 HydrophobicContact CD2-CB 4.27Å; Y480-E484 HydrophobicContact CD2-CG 4.47Å; Y480-E484 HydrophobicContact CE1-CG 4.15Å; Y480-E484 HydrophobicContact CE2-CG 3.99Å; Y480-E484 WeakPolarHBondContact O-CG 3.36Å; Y480-E484 PolarHBondContact O-N 3.4Å; R481-E484 PolarHBondContact O-N 3.32Å; V482-E484 VanDerWaalsContact C-N 3.34Å; V482-E484 PolarHBondContact O-N 2.93Å; E484-N487 PolarHBondContact O-N 3.42Å; E484-H488 VanDerWaalsContact O-CB 3.31Å; E484-H488 WeakPolarHBondContact O-CB 3.49Å; E484-H488 PolarHBondContact O-N 3.28Å
485	A	96.1	Very high	93.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67.7	-38.7	175.4	0	0	0	0	0	113.6	I420 I442 I444 L463 R481 V482 N483 H488 G489	I420-A485 HydrophobicContact CD1-CB 4.03Å; I420-A485 HydrophobicContact CG1-CB 4.24Å; I420-A485 HydrophobicContact CG2-CB 3.65Å; I442-A485 WeakPolarHBondContact CD1-O 3.23Å; I442-A485 HydrophobicContact CG2-CB 4.01Å; I444-A485 HydrophobicContact CD1-CB 3.66Å; I444-A485 HydrophobicContact CG1-CB 3.81Å; L463-A485 VanDerWaalsContact CD2-CA 3.49Å; L463-A485 HydrophobicContact CD2-CB 3.86Å; R481-A485 PolarHBondContact O-N 3.13Å; V482-A485 WeakPolarHBondContact O-CB 3.35Å; V482-A485 PolarHBondContact O-N 3.49Å; V482-A485 VanDerWaalsContact O-N 3.12Å; N483-A485 VanDerWaalsContact C-N 3.31Å; N483-A485 PolarHBondContact O-N 2.64Å; A485-H488 PolarHBondContact O-N 3.46Å; A485-G489 PolarHBondContact O-N 3.12Å
486	I	96.6	Very high	93.5	Very high	6 Å²	6	50.3 Å²	50.3	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-61.6	-48	173.1	-72.1	173.7	0	0	0	109.9	I420 V482 N483 H488 G489 K490 V522 P523	I420-I486 HydrophobicContact CD1-CG1 3.57Å; V482-I486 HydrophobicContact CG1-CD1 3.97Å; V482-I486 HydrophobicContact CG1-CG1 4.45Å; V482-I486 WeakPolarHBondContact O-CG1 3.44Å; V482-I486 PolarHBondContact O-N 3.22Å; N483-I486 PolarHBondContact O-N 2.98Å; I486-H488 VanDerWaalsContact C-N 3.35Å; I486-H488 PolarHBondContact O-N 3.48Å; I486-G489 PolarHBondContact O-N 3.43Å; I486-K490 HydrophobicContact CG2-CD 4.48Å; I486-K490 WeakPolarHBondContact O-CG 3.44Å; I486-K490 PolarHBondContact O-N 3.43Å; I486-V522 HydrophobicContact CG2-CG1 4.03Å; I486-P523 HydrophobicContact CG2-CG 4.21Å
487	N	94.9	Very high	93.7	Very high	67 Å²	67	49.5 Å²	49.5	36%	0.358	25%	0.247	S	C	.	.	H	α-helix	trans	-61.2	-44.4	178	-72.4	-25.1	0	0	0	111.4	N483 E484 G489 K490 Q491	N483-N487 WeakPolarHBondContact O-CB 3.27Å; N483-N487 VanDerWaalsContact O-CG 3.23Å; N483-N487 PolarHBondContact O-N 2.87Å; N483-N487 PolarHBondContact O-ND2 2.87Å; E484-N487 PolarHBondContact O-N 3.42Å; N487-G489 VanDerWaalsContact C-N 3.35Å; N487-G489 PolarHBondContact O-N 3.06Å; N487-K490 PolarHBondContact O-N 3.45Å; N487-Q491 WeakPolarHBondContact O-CB 3.4Å; N487-Q491 VanDerWaalsContact O-CG 3.27Å; N487-Q491 WeakPolarHBondContact O-CG 3.47Å; N487-Q491 PolarHBondContact O-N 2.94Å
488	H	93.8	Very high	93.9	Very high	20 Å²	20	51.4 Å²	51.4	9%	0.093	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-46.1	174.2	-175.3	82.8	0	0	0	111.6	L463 E484 A485 I486 K490 Q491 K492	L463-H488 HydrophobicContact CD1-CB 4.2Å; L463-H488 HydrophobicContact CD2-CB 4Å; E484-H488 VanDerWaalsContact O-CB 3.31Å; E484-H488 WeakPolarHBondContact O-CB 3.49Å; E484-H488 PolarHBondContact O-N 3.28Å; A485-H488 PolarHBondContact O-N 3.46Å; I486-H488 VanDerWaalsContact C-N 3.35Å; I486-H488 PolarHBondContact O-N 3.48Å; H488-K490 PolarHBondContact O-N 3.3Å; H488-Q491 PolarHBondContact O-N 3.47Å; H488-K492 WeakPolarHBondContact O-CB 3.31Å; H488-K492 WeakPolarHBondContact O-CG 3.45Å; H488-K492 PolarHBondContact O-N 2.89Å
489	G	94.6	Very high	94.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60	-43	177	0	0	0	0	0	112.7	A485 I486 N487 K492 G493 Y494 F495	A485-G489 PolarHBondContact O-N 3.12Å; I486-G489 PolarHBondContact O-N 3.43Å; N487-G489 VanDerWaalsContact C-N 3.35Å; N487-G489 PolarHBondContact O-N 3.06Å; G489-K492 PolarHBondContact O-N 2.97Å; G489-G493 PolarHBondContact O-N 2.7Å; G489-Y494 PolarHBondContact O-N 3.47Å; G489-F495 PolarHBondContact O-N 3.26Å
490	K	94.9	Very high	94.2	Very high	65 Å²	65	53.6 Å²	53.6	28%	0.283	28%	0.282	S	S	.	.	H	α-helix	trans	-61.7	-47.4	173.2	-72.3	179	178.4	-176.7	0	112.1	I486 N487 H488 K492 G493 V522 P523	I486-K490 HydrophobicContact CG2-CD 4.48Å; I486-K490 WeakPolarHBondContact O-CG 3.44Å; I486-K490 PolarHBondContact O-N 3.43Å; N487-K490 PolarHBondContact O-N 3.45Å; H488-K490 PolarHBondContact O-N 3.3Å; K490-K492 VanDerWaalsContact C-N 3.31Å; K490-K492 PolarHBondContact O-N 2.84Å; K490-G493 PolarHBondContact O-N 3.3Å; K490-V522 HydrophobicContact CD-CG1 4.25Å; K490-V522 HydrophobicContact CG-CG1 4.17Å; K490-P523 WeakPolarHBondContact CE-O 3.3Å; K490-P523 PolarHBondContact NZ-O 3.43Å
491	Q	92.7	Very high	94.3	Very high	155 Å²	155	49.3 Å²	49.3	72%	0.724	27%	0.265	S	S	*	.	H	α-helix	trans	-62.6	-37.8	-179.8	-73.2	172.4	19.9	0	0	112.4	N487 H488 G493	N487-Q491 WeakPolarHBondContact O-CB 3.4Å; N487-Q491 VanDerWaalsContact O-CG 3.27Å; N487-Q491 WeakPolarHBondContact O-CG 3.47Å; N487-Q491 PolarHBondContact O-N 2.94Å; H488-Q491 PolarHBondContact O-N 3.47Å; Q491-G493 VanDerWaalsContact C-N 3.27Å
492	K	90.7	Very high	94.5	Very high	106 Å²	106	48.6 Å²	48.6	46%	0.461	26%	0.262	S	S	.	.	H	α-helix	trans	-78.2	-12	174.8	-70.1	-67	-173.5	175.1	0	113.2	H37 H488 G489 K490 Y494	H37-K492 PolarHBondContact CE1-O 2.94Å; H488-K492 WeakPolarHBondContact O-CB 3.31Å; H488-K492 WeakPolarHBondContact O-CG 3.45Å; H488-K492 PolarHBondContact O-N 2.89Å; G489-K492 PolarHBondContact O-N 2.97Å; K490-K492 VanDerWaalsContact C-N 3.31Å; K490-K492 PolarHBondContact O-N 2.84Å; K492-Y494 VanDerWaalsContact C-N 3.33Å; K492-Y494 HydrophobicContact CB-CD1 3.94Å; K492-Y494 HydrophobicContact CB-CD2 3.84Å; K492-Y494 HydrophobicContact CB-CE1 3.72Å; K492-Y494 HydrophobicContact CB-CE2 3.59Å; K492-Y494 HydrophobicContact CB-CG 4Å; K492-Y494 HydrophobicContact CG-CE2 3.88Å
493	G	92.1	Very high	94.6	Very high	47 Å²	47	48.8 Å²	48.8	49%	0.485	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	22.6	-176.1	0	0	0	0	0	113.6	H37 G489 K490 Q491	H37-G493 VanDerWaalsContact NE2-C 3.33Å; H37-G493 PolarHBondContact NE2-O 2.96Å; G489-G493 PolarHBondContact O-N 2.7Å; K490-G493 PolarHBondContact O-N 3.3Å; Q491-G493 VanDerWaalsContact C-N 3.27Å
494	Y	92.3	Very high	94.7	Very high	31 Å²	31	45.3 Å²	45.3	12%	0.122	24%	0.244	C	C	.	.	S	Bend	trans	-70	-40.8	172.2	-58.8	-26.8	0	0	0	111	H37 I440 I442 Q461 G489 K492	H37-Y494 HydrophobicContact CB-CD1 4.09Å; H37-Y494 HydrophobicContact CB-CE1 3.91Å; H37-Y494 AromaticContact CD2-CD1 3.48Å; H37-Y494 VanDerWaalsContact CD2-CD1 3.48Å; H37-Y494 WeakPolarHBondContact CD2-CD1 3.43Å; H37-Y494 AromaticContact CE1-CD1 3.56Å; H37-Y494 AromaticContact CE1-CE1 3.73Å; H37-Y494 AromaticContact CG-CD1 3.41Å; H37-Y494 VanDerWaalsContact CG-CD1 3.41Å; H37-Y494 AromaticContact CG-CE1 3.47Å; H37-Y494 VanDerWaalsContact CG-CE1 3.47Å; H37-Y494 AromaticContact ND1-CD1 3.51Å; H37-Y494 AromaticContact ND1-CE1 3.29Å; H37-Y494 VanDerWaalsContact ND1-CE1 3.29Å; H37-Y494 WeakPolarHBondContact ND1-CE1 3.02Å; H37-Y494 AromaticContact NE2-CD1 3.54Å; I440-Y494 HydrophobicContact CG2-CD1 4.38Å; I440-Y494 HydrophobicContact CG2-CD2 4.04Å; I440-Y494 HydrophobicContact CG2-CG 3.87Å; I442-Y494 HydrophobicContact CD1-CD2 3.95Å; I442-Y494 HydrophobicContact CG1-CD2 4.26Å; Q461-Y494 HydrophobicContact CB-CE2 4.47Å; Q461-Y494 HydrophobicContact CG-CE2 3.93Å; G489-Y494 PolarHBondContact O-N 3.47Å; K492-Y494 VanDerWaalsContact C-N 3.33Å; K492-Y494 HydrophobicContact CB-CD1 3.94Å; K492-Y494 HydrophobicContact CB-CD2 3.84Å; K492-Y494 HydrophobicContact CB-CE1 3.72Å; K492-Y494 HydrophobicContact CB-CE2 3.59Å; K492-Y494 HydrophobicContact CB-CG 4Å; K492-Y494 HydrophobicContact CG-CE2 3.88Å
495	F	90.5	Very high	94.7	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.018	23%	0.232	C	C	.	.			trans	-130.8	153.9	-177.7	-31.1	-48.7	0	0	0	111.1	S417 G418 I420 I440 I442 G489 V501 V522	S417-F495 WeakPolarHBondContact O-CD1 3.38Å; S417-F495 VanDerWaalsContact O-CE1 3.24Å; S417-F495 WeakPolarHBondContact O-CE1 3.47Å; G418-F495 VanDerWaalsContact CA-CE1 3.4Å; I420-F495 HydrophobicContact CD1-CE2 4.29Å; I420-F495 HydrophobicContact CG1-CE2 4.41Å; I440-F495 HydrophobicContact CG2-CE1 3.78Å; I440-F495 HydrophobicContact CG2-CZ 4.16Å; I442-F495 HydrophobicContact CD1-CE2 3.54Å; I442-F495 HydrophobicContact CD1-CZ 3.52Å; I442-F495 HydrophobicContact CG1-CZ 4.08Å; G489-F495 PolarHBondContact O-N 3.26Å; F495-V501 HydrophobicContact CB-CG1 4.44Å; F495-V501 HydrophobicContact CD1-CG1 3.9Å; F495-V501 HydrophobicContact CD2-CG1 3.91Å; F495-V501 HydrophobicContact CE1-CG1 4.18Å; F495-V501 HydrophobicContact CE2-CG1 4.11Å; F495-V501 HydrophobicContact CG-CG1 3.81Å; F495-V501 HydrophobicContact CZ-CG1 4.25Å; F495-V522 HydrophobicContact CB-CG2 3.86Å; F495-V522 HydrophobicContact CD2-CG2 4.38Å; F495-V522 HydrophobicContact CG-CG2 4.34Å
496	K	92.4	Very high	94.3	Very high	123 Å²	123	43.2 Å²	43.2	54%	0.535	24%	0.239	S	C	.	.			trans	-114.7	158.9	169.4	-61.7	172.7	-173.2	168.2	0	110.3	G498 D499 V522	K496-G498 PolarHBondContact O-N 2.87Å; K496-D499 PolarHBondContact N-OD2 3.25Å; K496-D499 VanDerWaalsContact O-CB 3.23Å; K496-D499 WeakPolarHBondContact O-CB 3.45Å; K496-D499 PolarHBondContact O-N 3.18Å; K496-V522 VanDerWaalsContact O-CB 3.29Å; K496-V522 WeakPolarHBondContact O-CB 3.36Å; K496-V522 WeakPolarHBondContact O-CG1 3.29Å
497	T	96	Very high	93.8	Very high	96 Å²	96	52.8 Å²	52.8	59%	0.589	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	132.2	169.9	-68.1	0	0	0	0	110.3	P523	T497-P523 WeakPolarHBondContact CB-O 3.45Å; T497-P523 WeakPolarHBondContact CG2-O 3.47Å; T497-P523 PolarHBondContact OG1-O 3.41Å
498	G	95.8	Very high	93.2	Very high	50 Å²	50	56 Å²	56	52%	0.515	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	-15.5	-174.6	0	0	0	0	0	115.1	K496 V522	K496-G498 PolarHBondContact O-N 2.87Å; G498-V522 PolarHBondContact N-O 2.82Å
499	D	94.8	Very high	92.5	Very high	45 Å²	45	61.9 Å²	61.9	24%	0.241	31%	0.313	C	S	.	.			trans	-65.6	145.7	174.3	-72.7	-1.5	0	0	0	110.7	S417 K496 P521 V522	S417-D499 WeakPolarHBondContact CB-OD2 3.43Å; S417-D499 VanDerWaalsContact OG-CB 3.31Å; S417-D499 WeakPolarHBondContact OG-CB 3.25Å; S417-D499 PolarHBondContact OG-OD2 3.15Å; K496-D499 PolarHBondContact N-OD2 3.25Å; K496-D499 VanDerWaalsContact O-CB 3.23Å; K496-D499 WeakPolarHBondContact O-CB 3.45Å; K496-D499 PolarHBondContact O-N 3.18Å; D499-P521 CarbonylContact O-C 3.54Å; D499-P521 WeakPolarHBondContact O-CA 3.42Å; D499-V522 HydrophobicContact CB-CG2 4.36Å; D499-V522 WeakPolarHBondContact O-CG2 3.46Å; D499-V522 PolarHBondContact O-N 3.39Å
500	N	95.8	Very high	91.7	Very high	64 Å²	64	63.7 Å²	63.7	34%	0.342	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	135.1	172.4	-68.9	-56.1	0	0	0	110.6	M414 A416 S417	M414-N500 HydrophobicContact CE-CB 4.06Å; A416-N500 CarbonylContact C-O 3.43Å; A416-N500 WeakPolarHBondContact CA-O 3.4Å; A416-N500 HydrophobicContact CB-CB 4.39Å; A416-N500 WeakPolarHBondContact CB-O 3.41Å; S417-N500 PolarHBondContact N-O 3.01Å
501	V	97.2	Very high	91	Very high	0 Å²	0	65 Å²	65	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.6	170.4	-66.5	0	0	0	0	110.8	G418 I420 F495 F519 V520 V522	G418-V501 WeakPolarHBondContact O-CA 3.47Å; I420-V501 HydrophobicContact CD1-CG2 4.44Å; F495-V501 HydrophobicContact CB-CG1 4.44Å; F495-V501 HydrophobicContact CD1-CG1 3.9Å; F495-V501 HydrophobicContact CD2-CG1 3.91Å; F495-V501 HydrophobicContact CE1-CG1 4.18Å; F495-V501 HydrophobicContact CE2-CG1 4.11Å; F495-V501 HydrophobicContact CG-CG1 3.81Å; F495-V501 HydrophobicContact CZ-CG1 4.25Å; V501-F519 WeakPolarHBondContact O-CA 3.47Å; V501-V520 HydrophobicContact CG2-CG2 3.78Å; V501-V520 PolarHBondContact N-O 3.07Å; V501-V520 PolarHBondContact O-N 2.87Å; V501-V520 VanDerWaalsContact O-N 3.08Å; V501-V522 HydrophobicContact CB-CG2 4.38Å; V501-V522 HydrophobicContact CG1-CG2 3.59Å; V501-V522 HydrophobicContact CG2-CG2 3.89Å
502	A	97.9	Very high	90.5	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	134.6	172.4	0	0	0	0	0	110.2	V407 V411 G418 I419 I420 R518 F519	V407-A502 HydrophobicContact CG2-CB 3.5Å; V411-A502 HydrophobicContact CG2-CB 4.01Å; G418-A502 PolarHBondContact O-N 3.07Å; I419-A502 CarbonylContact C-O 3.53Å; I419-A502 WeakPolarHBondContact CA-O 3.29Å; I419-A502 HydrophobicContact CG1-CB 4.23Å; I420-A502 PolarHBondContact N-O 3.44Å; A502-R518 CarbonylContact C-O 3.48Å; A502-R518 WeakPolarHBondContact CA-O 3.34Å; A502-F519 HydrophobicContact CB-CD1 3.92Å; A502-F519 HydrophobicContact CB-CE1 3.64Å
503	I	97.5	Very high	90.3	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.026	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.2	175.1	-63.6	162.5	0	0	0	108.3	I420 V482 T505 I517 R518 V520	I420-I503 CarbonylContact O-C 3.26Å; I420-I503 WeakPolarHBondContact O-CA 3.45Å; V482-I503 HydrophobicContact CG1-CD1 3.53Å; V482-I503 HydrophobicContact CG1-CG1 4Å; V482-I503 HydrophobicContact CG2-CG2 3.83Å; I503-T505 HydrophobicContact CG2-CG2 3.79Å; I503-I517 CarbonylContact O-C 3.56Å; I503-I517 WeakPolarHBondContact O-CA 3.47Å; I503-R518 HydrophobicContact CB-CB 4.33Å; I503-R518 PolarHBondContact N-O 3.05Å; I503-R518 PolarHBondContact O-N 3.4Å; I503-V520 HydrophobicContact CD1-CB 4.35Å; I503-V520 HydrophobicContact CD1-CG1 4Å; I503-V520 HydrophobicContact CD1-CG2 3.39Å; I503-V520 HydrophobicContact CG1-CG2 4.23Å
504	V	97.2	Very high	90.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.7	-179.8	-177.9	0	0	0	0	110	V403 V407 I419 I420 V421 I422 L432 T514 T516	V403-V504 HydrophobicContact CG1-CG1 3.65Å; V407-V504 HydrophobicContact CB-CG2 4.28Å; V407-V504 HydrophobicContact CG1-CG2 4.4Å; V407-V504 HydrophobicContact CG2-CG2 3.83Å; I419-V504 HydrophobicContact CG2-CG2 4.07Å; I420-V504 PolarHBondContact O-N 2.84Å; V421-V504 WeakPolarHBondContact CA-O 3.42Å; V421-V504 HydrophobicContact CB-CB 4.16Å; V421-V504 HydrophobicContact CG2-CB 4Å; V421-V504 HydrophobicContact CG2-CG1 4.03Å; I422-V504 PolarHBondContact N-O 3.35Å; L432-V504 HydrophobicContact CD1-CB 4.25Å; L432-V504 HydrophobicContact CD1-CG1 4.24Å; L432-V504 HydrophobicContact CD1-CG2 4.13Å; V504-T514 HydrophobicContact CG1-CG2 3.49Å; V504-T514 VanDerWaalsContact CG1-CG2 3.49Å; V504-T516 WeakPolarHBondContact CA-O 3.34Å
505	T	94.3	Very high	90.3	Very high	9 Å²	9	57.1 Å²	57.1	6%	0.055	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	167.4	-175.9	61	0	0	0	0	111.8	I422 V478 I503 N515 T516	I422-T505 HydrophobicContact CD1-CG2 3.99Å; I422-T505 HydrophobicContact CG1-CG2 4.36Å; V478-T505 HydrophobicContact CG1-CG2 3.87Å; I503-T505 HydrophobicContact CG2-CG2 3.79Å; T505-N515 PolarHBondContact O-N 3.4Å; T505-N515 VanDerWaalsContact O-N 3.14Å; T505-T516 PolarHBondContact N-O 3.49Å; T505-T516 PolarHBondContact O-N 3.49Å
506	G	89.4	Confident	90.5	Very high	14 Å²	14	59.1 Å²	59.1	14%	0.144	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	156.2	166.7	0	0	0	0	0	112.2	Q508 S513	G506-Q508 VanDerWaalsContact C-N 3.31Å; G506-S513 WeakPolarHBondContact CA-O 3.36Å
507	R	84.6	Confident	90.6	Very high	208 Å²	208	55.6 Å²	55.6	79%	0.785	32%	0.323	S	S	*	.	S	Bend	trans	-74.3	-19.1	178.4	-168.1	177.9	178.6	-171	1.5	113.7	F474 N515	F474-R507 WeakPolarHBondContact CE1-O 3.44Å; R507-N515 PolarHBondContact N-OD1 2.96Å
508	Q	82.8	Confident	90.6	Very high	133 Å²	133	54.5 Å²	54.5	62%	0.621	31%	0.308	S	S	*	.	S	Bend	trans	-137	158.5	-176.1	65.4	-174.1	10.7	0	0	112.3	G506 S513	G506-Q508 VanDerWaalsContact C-N 3.31Å; Q508-S513 PolarHBondContact O-OG 2.89Å; Q508-S513 VanDerWaalsContact O-OG 3.08Å
509	K	79.6	Confident	90.6	Very high	144 Å²	144	55.9 Å²	55.9	63%	0.626	30%	0.3	S	S	*	.	S	Bend	trans	-61.7	149.6	173.1	-68.5	-178.2	-179	175.7	0	110.6	F474	F474-K509 HydrophobicContact CD2-CB 4.49Å; F474-K509 HydrophobicContact CD2-CD 4.22Å; F474-K509 HydrophobicContact CD2-CG 3.32Å; F474-K509 HydrophobicContact CE2-CB 4.46Å; F474-K509 HydrophobicContact CE2-CG 3.69Å; F474-K509 HydrophobicContact CG-CG 4.21Å
510	G	77.5	Confident	90.6	Very high	38 Å²	38	55.8 Å²	55.8	39%	0.392	30%	0.301	S	S	.	.	S	Bend	trans	98	171.3	177.8	0	0	0	0	0	114.2
511	P	79.9	Confident	90.6	Very high	92 Å²	92	56.8 Å²	56.8	60%	0.597	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	156.9	-178.6	31.2	-35	0	0	0	112.5	T425	T425-P511 HydrophobicContact CG2-CB 4.12Å
512	G	82.3	Confident	90.6	Very high	70 Å²	70	56.9 Å²	56.9	72%	0.722	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	8.6	166.9	0	0	0	0	0	116.8
513	S	86	Confident	90.3	Very high	18 Å²	18	62.1 Å²	62.1	13%	0.126	35%	0.345	C	S	.	.			trans	-108.7	14.4	-174.3	63.5	0	0	0	0	115	G506 Q508 N515	G506-S513 WeakPolarHBondContact CA-O 3.36Å; Q508-S513 PolarHBondContact O-OG 2.89Å; Q508-S513 VanDerWaalsContact O-OG 3.08Å; S513-N515 PolarHBondContact O-N 3.47Å; S513-N515 VanDerWaalsContact O-N 3.15Å; S513-N515 PolarHBondContact O-OD1 3.12Å
514	T	92.2	Very high	90	Very high	8 Å²	8	65 Å²	65	5%	0.049	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	112.9	-177.6	-52.1	0	0	0	0	111.2	T400 V403 S428 V504	T400-T514 HydrophobicContact CG2-CG2 4.24Å; V403-T514 HydrophobicContact CG1-CG2 4.24Å; S428-T514 PolarHBondContact OG-OG1 3.06Å; V504-T514 HydrophobicContact CG1-CG2 3.49Å; V504-T514 VanDerWaalsContact CG1-CG2 3.49Å
515	N	92.4	Very high	89.6	Confident	78 Å²	78	68.4 Å²	68.4	42%	0.417	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	4.1	-173.6	68.1	-8.9	0	0	0	114.6	T505 R507 S513	T505-N515 PolarHBondContact O-N 3.4Å; T505-N515 VanDerWaalsContact O-N 3.14Å; R507-N515 PolarHBondContact N-OD1 2.96Å; S513-N515 PolarHBondContact O-N 3.47Å; S513-N515 VanDerWaalsContact O-N 3.15Å; S513-N515 PolarHBondContact O-OD1 3.12Å
516	T	94.2	Very high	89.4	Confident	46 Å²	46	71.7 Å²	71.7	28%	0.282	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.6	-175.7	-56.4	0	0	0	0	109.9	V504 T505 R518	V504-T516 WeakPolarHBondContact CA-O 3.34Å; T505-T516 PolarHBondContact N-O 3.49Å; T505-T516 PolarHBondContact O-N 3.49Å; T516-R518 HydrophobicContact CG2-CG 4.29Å
517	I	95.6	Very high	89.3	Confident	49 Å²	49	75.1 Å²	75.1	25%	0.251	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.7	172.7	-52.6	169.1	0	0	0	107.7	V403 A406 V407 I503 F519	V403-I517 HydrophobicContact CB-CD1 4.37Å; V403-I517 HydrophobicContact CG1-CD1 3.98Å; V403-I517 HydrophobicContact CG1-CG1 3.85Å; V403-I517 HydrophobicContact CG2-CD1 4.35Å; V403-I517 HydrophobicContact CG2-CG1 4.37Å; A406-I517 HydrophobicContact CB-CD1 3.79Å; V407-I517 HydrophobicContact CB-CD1 4.09Å; V407-I517 HydrophobicContact CB-CG2 4.45Å; V407-I517 HydrophobicContact CG2-CG2 4.12Å; I503-I517 CarbonylContact O-C 3.56Å; I503-I517 WeakPolarHBondContact O-CA 3.47Å; I517-F519 HydrophobicContact CG2-CD2 4.44Å; I517-F519 HydrophobicContact CG2-CE1 4.38Å; I517-F519 HydrophobicContact CG2-CE2 3.65Å; I517-F519 HydrophobicContact CG2-CZ 3.59Å
518	R	95.8	Very high	89.6	Confident	74 Å²	74	66.8 Å²	66.8	28%	0.279	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	145.9	171.5	-62.3	-179.6	-73.5	170.9	-0.2	108.9	E479 A502 I503 T516	E479-R518 IonicContact OE1-CZ 3.12Å; E479-R518 VanDerWaalsContact OE1-CZ 3.24Å; E479-R518 IonicContact OE1-NH1 2.71Å; E479-R518 PolarHBondContact OE1-NH1 3.32Å; E479-R518 IonicContact OE1-NH2 3.57Å; E479-R518 PolarHBondContact OE1-NH2 2.55Å; A502-R518 CarbonylContact C-O 3.48Å; A502-R518 WeakPolarHBondContact CA-O 3.34Å; I503-R518 HydrophobicContact CB-CB 4.33Å; I503-R518 PolarHBondContact N-O 3.05Å; I503-R518 PolarHBondContact O-N 3.4Å; T516-R518 HydrophobicContact CG2-CG 4.29Å
519	F	96.1	Very high	90.1	Very high	79 Å²	79	62.3 Å²	62.3	35%	0.346	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.1	170.8	-60.3	-85.4	0	0	0	107.5	A410 M414 V501 A502 I517	A410-F519 HydrophobicContact CB-CE1 3.63Å; A410-F519 HydrophobicContact CB-CE2 4.15Å; A410-F519 HydrophobicContact CB-CZ 3.23Å; M414-F519 HydrophobicContact CE-CB 4.17Å; M414-F519 HydrophobicContact CE-CD1 4.26Å; M414-F519 HydrophobicContact CE-CG 4.32Å; M414-F519 HydrophobicContact SD-CB 4.41Å; M414-F519 HydrophobicContact SD-CD1 3.61Å; M414-F519 HydrophobicContact SD-CE1 4Å; M414-F519 HydrophobicContact SD-CG 3.91Å; V501-F519 WeakPolarHBondContact O-CA 3.47Å; A502-F519 HydrophobicContact CB-CD1 3.92Å; A502-F519 HydrophobicContact CB-CE1 3.64Å; I517-F519 HydrophobicContact CG2-CD2 4.44Å; I517-F519 HydrophobicContact CG2-CE1 4.38Å; I517-F519 HydrophobicContact CG2-CE2 3.65Å; I517-F519 HydrophobicContact CG2-CZ 3.59Å
520	V	95.3	Very high	90.9	Very high	43 Å²	43	56.5 Å²	56.5	26%	0.261	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146.1	-180	-58.9	0	0	0	0	109.7	V501 I503	V501-V520 HydrophobicContact CG2-CG2 3.78Å; V501-V520 PolarHBondContact N-O 3.07Å; V501-V520 PolarHBondContact O-N 2.87Å; V501-V520 VanDerWaalsContact O-N 3.08Å; I503-V520 HydrophobicContact CD1-CB 4.35Å; I503-V520 HydrophobicContact CD1-CG1 4Å; I503-V520 HydrophobicContact CD1-CG2 3.39Å; I503-V520 HydrophobicContact CG1-CG2 4.23Å
521	P	95.7	Very high	91.9	Very high	84 Å²	84	57.9 Å²	57.9	55%	0.545	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	142.4	164.1	30.8	-33.3	0	0	0	108.8	D499	D499-P521 CarbonylContact O-C 3.54Å; D499-P521 WeakPolarHBondContact O-CA 3.42Å
522	V	95.8	Very high	92.9	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.012	33%	0.334	C	S	.	.			trans	-65.6	123.6	168.9	171.1	0	0	0	0	107.8	I486 K490 F495 K496 G498 D499 V501	I486-V522 HydrophobicContact CG2-CG1 4.03Å; K490-V522 HydrophobicContact CD-CG1 4.25Å; K490-V522 HydrophobicContact CG-CG1 4.17Å; F495-V522 HydrophobicContact CB-CG2 3.86Å; F495-V522 HydrophobicContact CD2-CG2 4.38Å; F495-V522 HydrophobicContact CG-CG2 4.34Å; K496-V522 VanDerWaalsContact O-CB 3.29Å; K496-V522 WeakPolarHBondContact O-CB 3.36Å; K496-V522 WeakPolarHBondContact O-CG1 3.29Å; G498-V522 PolarHBondContact N-O 2.82Å; D499-V522 HydrophobicContact CB-CG2 4.36Å; D499-V522 WeakPolarHBondContact O-CG2 3.46Å; D499-V522 PolarHBondContact O-N 3.39Å; V501-V522 HydrophobicContact CB-CG2 4.38Å; V501-V522 HydrophobicContact CG1-CG2 3.59Å; V501-V522 HydrophobicContact CG2-CG2 3.89Å
523	P	93.2	Very high	93.8	Very high	110 Å²	110	53.7 Å²	53.7	71%	0.714	30%	0.299	S	S	*	.			trans	-65	0	-172.9	25.3	-34.8	0	0	0	114.1	I486 K490 T497	I486-P523 HydrophobicContact CG2-CG 4.21Å; K490-P523 WeakPolarHBondContact CE-O 3.3Å; K490-P523 PolarHBondContact NZ-O 3.43Å; T497-P523 WeakPolarHBondContact CB-O 3.45Å; T497-P523 WeakPolarHBondContact CG2-O 3.47Å; T497-P523 PolarHBondContact OG1-O 3.41Å

Retrieved 523 of 523 residues in 1725.9 ms (Link to these results)

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