A0A087YCM3_POEFO Loading...

Alpha-1,3-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase A

Glycosyltransferase that catalyze the transfer of GlcNAc from UDP-GlcNAc to the GlcNAcbeta1-2Manalpha1-3 arm of the core structure of N-linked glycans through a beta1-4 linkage and participates in the production of tri- and tetra-antennary N-linked sugar chains. Involved in glucose transport by mediating SLC2A2/GLUT2 glycosylation, thereby controlling cell-surface expression of SLC2A2 in pancreatic beta cells.

AlphaFold DB , UniProt , Accession A0A087YCM3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 533 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	41.4	Very low	55.6	Low	246 Å²	246	130.8 Å²	130.8	100%	1.212	69%	0.69	S	S	*	*				0	67.6	0	-156.9	176.9	-174.1	0	0	109.8
2	R	47.4	Very low	56.3	Low	240 Å²	240	128.8 Å²	128.8	91%	0.906	68%	0.679	S	S	*	*			trans	-153.5	104.6	180	-84.3	-173.3	176.3	171.7	-1.8	108.3
3	L	49	Very low	57.4	Low	180 Å²	180	127.2 Å²	127.2	94%	0.942	67%	0.67	S	S	*	*			trans	157.1	67.4	160.2	-86.8	155.2	0	0	0	107.8
4	R	53.8	Low	58.2	Low	215 Å²	215	129 Å²	129	81%	0.811	67%	0.67	S	S	*	*	S	Bend	trans	-135.8	-9.2	168.1	-120	176	85.7	173.9	4.6	114.9
5	N	53.8	Low	58.6	Low	135 Å²	135	130.3 Å²	130.3	72%	0.722	67%	0.668	S	S	*	*	S	Bend	trans	-105.5	-12.1	-174.7	-66.7	1.8	0	0	0	114.2	A9	N5-A9 WeakPolarHBondContact O-CB 3.39Å; N5-A9 PolarHBondContact O-N 2.72Å; N5-A9 VanDerWaalsContact O-N 3.17Å
6	G	54.7	Low	59	Low	50 Å²	50	127.5 Å²	127.5	52%	0.515	66%	0.659	S	S	.	*	H	α-helix	trans	-70.1	-42.9	-177.8	0	0	0	0	0	113.1	V8 A9 T10	G6-V8 VanDerWaalsContact C-N 3.34Å; G6-V8 PolarHBondContact O-N 2.95Å; G6-A9 PolarHBondContact O-N 3.06Å; G6-T10 PolarHBondContact O-N 3.03Å; G6-T10 PolarHBondContact O-OG1 2.95Å; G6-T10 VanDerWaalsContact O-OG1 3.12Å
7	T	58	Low	59.3	Low	112 Å²	112	122.8 Å²	122.8	69%	0.687	64%	0.64	S	S	*	*	H	α-helix	trans	-69.3	-29.9	178.7	7.3	0	0	0	0	113	T10 A11	T7-T10 WeakPolarHBondContact CA-OG1 3.48Å; T7-T10 PolarHBondContact O-OG1 3.5Å; T7-A11 VanDerWaalsContact O-CB 3.32Å; T7-A11 WeakPolarHBondContact O-CB 3.21Å; T7-A11 PolarHBondContact O-N 3.2Å
8	V	59.6	Low	59.6	Low	85 Å²	85	124.9 Å²	124.9	52%	0.515	64%	0.644	S	S	.	*	H	α-helix	trans	-75	-39.5	176	-178.2	0	0	0	0	110.7	G6 A11 L12	G6-V8 VanDerWaalsContact C-N 3.34Å; G6-V8 PolarHBondContact O-N 2.95Å; V8-A11 PolarHBondContact O-N 3.41Å; V8-L12 HydrophobicContact CG1-CD1 4.03Å; V8-L12 WeakPolarHBondContact O-CB 3.4Å; V8-L12 WeakPolarHBondContact O-CG 3.43Å; V8-L12 PolarHBondContact O-N 3.3Å
9	A	62	Low	59.5	Low	48 Å²	48	123.6 Å²	123.6	40%	0.397	64%	0.638	S	S	.	*	H	α-helix	trans	-67	-42.3	177.5	0	0	0	0	0	112.3	N5 G6 L12 I13	N5-A9 WeakPolarHBondContact O-CB 3.39Å; N5-A9 PolarHBondContact O-N 2.72Å; N5-A9 VanDerWaalsContact O-N 3.17Å; G6-A9 PolarHBondContact O-N 3.06Å; A9-L12 PolarHBondContact O-N 2.91Å; A9-I13 VanDerWaalsContact O-CG1 3.28Å; A9-I13 WeakPolarHBondContact O-CG1 3.45Å; A9-I13 PolarHBondContact O-N 3.13Å
10	T	66.5	Low	59.7	Low	80 Å²	80	120.9 Å²	120.9	49%	0.491	63%	0.63	S	S	.	*	H	α-helix	trans	-67	-38.7	175.9	49.8	0	0	0	0	112	G6 T7 I13 F14	G6-T10 PolarHBondContact O-N 3.03Å; G6-T10 PolarHBondContact O-OG1 2.95Å; G6-T10 VanDerWaalsContact O-OG1 3.12Å; T7-T10 WeakPolarHBondContact CA-OG1 3.48Å; T7-T10 PolarHBondContact O-OG1 3.5Å; T10-I13 PolarHBondContact O-N 3.04Å; T10-F14 PolarHBondContact O-N 3.47Å
11	A	65.3	Low	59.7	Low	48 Å²	48	120.6 Å²	120.6	40%	0.397	63%	0.629	S	S	.	*	H	α-helix	trans	-62.7	-42.2	173.6	0	0	0	0	0	112.2	T7 V8 I13 F14 F15	T7-A11 VanDerWaalsContact O-CB 3.32Å; T7-A11 WeakPolarHBondContact O-CB 3.21Å; T7-A11 PolarHBondContact O-N 3.2Å; V8-A11 PolarHBondContact O-N 3.41Å; A11-I13 PolarHBondContact O-N 3.27Å; A11-F14 PolarHBondContact O-N 3.34Å; A11-F15 WeakPolarHBondContact O-CB 3.46Å; A11-F15 WeakPolarHBondContact O-CD2 3.4Å; A11-F15 PolarHBondContact O-N 3.14Å
12	L	64.2	Low	60.3	Low	106 Å²	106	111.8 Å²	111.8	56%	0.555	59%	0.591	S	S	*	*	H	α-helix	trans	-65	-37.4	176.7	-78.8	164.5	0	0	0	112.9	V8 A9 T16	V8-L12 HydrophobicContact CG1-CD1 4.03Å; V8-L12 WeakPolarHBondContact O-CB 3.4Å; V8-L12 WeakPolarHBondContact O-CG 3.43Å; V8-L12 PolarHBondContact O-N 3.3Å; A9-L12 PolarHBondContact O-N 2.91Å; L12-T16 WeakPolarHBondContact O-CB 3.28Å; L12-T16 VanDerWaalsContact O-CG2 3.23Å; L12-T16 WeakPolarHBondContact O-CG2 3.24Å; L12-T16 PolarHBondContact O-N 3.11Å; L12-T16 PolarHBondContact O-OG1 3Å
13	I	70.4	Confident	60.5	Low	108 Å²	108	110 Å²	110	55%	0.554	58%	0.584	S	S	*	*	H	α-helix	trans	-69.7	-40	176.4	-67	165.3	0	0	0	110.8	A9 T10 A11 T16 S17	A9-I13 VanDerWaalsContact O-CG1 3.28Å; A9-I13 WeakPolarHBondContact O-CG1 3.45Å; A9-I13 PolarHBondContact O-N 3.13Å; T10-I13 PolarHBondContact O-N 3.04Å; A11-I13 PolarHBondContact O-N 3.27Å; I13-T16 WeakPolarHBondContact CA-OG1 3.44Å; I13-T16 PolarHBondContact O-OG1 3.26Å; I13-S17 WeakPolarHBondContact O-CB 3.38Å; I13-S17 PolarHBondContact O-N 3.34Å; I13-S17 PolarHBondContact O-OG 3.49Å
14	F	68.8	Low	60.7	Low	153 Å²	153	107.7 Å²	107.7	67%	0.671	56%	0.564	S	S	*	*	H	α-helix	trans	-66.6	-42.1	175.1	-99.2	-84.9	0	0	0	112.2	T10 A11 S17 F18	T10-F14 PolarHBondContact O-N 3.47Å; A11-F14 PolarHBondContact O-N 3.34Å; F14-S17 WeakPolarHBondContact CA-OG 3.32Å; F14-S17 PolarHBondContact O-OG 3.5Å; F14-F18 VanDerWaalsContact O-CB 3.25Å; F14-F18 WeakPolarHBondContact O-CB 3.36Å; F14-F18 PolarHBondContact O-N 3.32Å
15	F	63.6	Low	60.8	Low	148 Å²	148	100.8 Å²	100.8	65%	0.649	55%	0.546	S	S	*	.	H	α-helix	trans	-66.3	-41	176.3	-95.4	-84.4	0	0	0	112.6	A11 F18 L19	A11-F15 WeakPolarHBondContact O-CB 3.46Å; A11-F15 WeakPolarHBondContact O-CD2 3.4Å; A11-F15 PolarHBondContact O-N 3.14Å; F15-F18 PolarHBondContact O-N 2.65Å; F15-L19 VanDerWaalsContact O-CB 3.3Å; F15-L19 WeakPolarHBondContact O-CB 3.48Å; F15-L19 WeakPolarHBondContact O-CD1 3.41Å; F15-L19 WeakPolarHBondContact O-CG 3.46Å; F15-L19 PolarHBondContact O-N 3.01Å
16	T	64.9	Low	60.5	Low	86 Å²	86	97.3 Å²	97.3	53%	0.528	54%	0.536	S	S	.	.	H	α-helix	trans	-71	-36.5	179.4	51.7	0	0	0	0	112.7	L12 I13 S20	L12-T16 WeakPolarHBondContact O-CB 3.28Å; L12-T16 VanDerWaalsContact O-CG2 3.23Å; L12-T16 WeakPolarHBondContact O-CG2 3.24Å; L12-T16 PolarHBondContact O-N 3.11Å; L12-T16 PolarHBondContact O-OG1 3Å; I13-T16 WeakPolarHBondContact CA-OG1 3.44Å; I13-T16 PolarHBondContact O-OG1 3.26Å; T16-S20 VanDerWaalsContact O-CB 3.31Å; T16-S20 WeakPolarHBondContact O-CB 3.37Å; T16-S20 PolarHBondContact O-N 3.41Å; T16-S20 PolarHBondContact O-OG 3.49Å
17	S	64.2	Low	60.2	Low	48 Å²	48	101.4 Å²	101.4	34%	0.336	54%	0.536	S	S	.	.	H	α-helix	trans	-70.1	-36.9	173.6	54.7	0	0	0	0	112.7	I13 F14 S20 L21	I13-S17 WeakPolarHBondContact O-CB 3.38Å; I13-S17 PolarHBondContact O-N 3.34Å; I13-S17 PolarHBondContact O-OG 3.49Å; F14-S17 WeakPolarHBondContact CA-OG 3.32Å; F14-S17 PolarHBondContact O-OG 3.5Å; S17-S20 WeakPolarHBondContact CA-OG 3.46Å; S17-S20 PolarHBondContact O-OG 3.05Å; S17-L21 WeakPolarHBondContact O-CB 3.22Å; S17-L21 PolarHBondContact O-N 3.07Å
18	F	65.6	Low	59.7	Low	160 Å²	160	99.5 Å²	99.5	70%	0.702	52%	0.519	S	S	*	.	H	α-helix	trans	-71	-39.7	176.3	-155.4	-94.7	0	0	0	111.9	F14 F15 S22	F14-F18 VanDerWaalsContact O-CB 3.25Å; F14-F18 WeakPolarHBondContact O-CB 3.36Å; F14-F18 PolarHBondContact O-N 3.32Å; F15-F18 PolarHBondContact O-N 2.65Å; F18-S22 WeakPolarHBondContact O-CB 3.22Å; F18-S22 PolarHBondContact O-N 3.48Å
19	L	58.2	Low	58.9	Low	101 Å²	101	100 Å²	100	53%	0.529	52%	0.519	S	S	.	.	H	α-helix	trans	-66.5	-38.1	174.2	-73.3	166.8	0	0	0	112	F15 S22 W23	F15-L19 VanDerWaalsContact O-CB 3.3Å; F15-L19 WeakPolarHBondContact O-CB 3.48Å; F15-L19 WeakPolarHBondContact O-CD1 3.41Å; F15-L19 WeakPolarHBondContact O-CG 3.46Å; F15-L19 PolarHBondContact O-N 3.01Å; L19-S22 PolarHBondContact O-N 3.34Å; L19-W23 WeakPolarHBondContact O-CB 3.47Å; L19-W23 PolarHBondContact O-N 2.92Å
20	S	62.5	Low	58	Low	68 Å²	68	99.4 Å²	99.4	48%	0.476	52%	0.518	S	S	.	.	H	α-helix	trans	-71.4	-37.7	177.4	68.9	0	0	0	0	112.6	T16 S17 Y24	T16-S20 VanDerWaalsContact O-CB 3.31Å; T16-S20 WeakPolarHBondContact O-CB 3.37Å; T16-S20 PolarHBondContact O-N 3.41Å; T16-S20 PolarHBondContact O-OG 3.49Å; S17-S20 WeakPolarHBondContact CA-OG 3.46Å; S17-S20 PolarHBondContact O-OG 3.05Å; S20-Y24 WeakPolarHBondContact O-CB 3.32Å; S20-Y24 PolarHBondContact O-N 3.23Å
21	L	58.9	Low	57	Low	116 Å²	116	98.5 Å²	98.5	61%	0.607	51%	0.507	S	S	*	.	H	α-helix	trans	-65.9	-41.3	171.1	-118	92.2	0	0	0	111.9	S17 Y24 T25	S17-L21 WeakPolarHBondContact O-CB 3.22Å; S17-L21 PolarHBondContact O-N 3.07Å; L21-Y24 PolarHBondContact O-N 3.22Å; L21-T25 WeakPolarHBondContact O-CB 3.49Å; L21-T25 VanDerWaalsContact O-CG2 3.32Å; L21-T25 WeakPolarHBondContact O-CG2 3.33Å; L21-T25 PolarHBondContact O-N 2.7Å; L21-T25 PolarHBondContact O-OG1 2.92Å
22	S	54	Low	56.1	Low	61 Å²	61	102.4 Å²	102.4	43%	0.427	52%	0.517	S	S	.	.	H	α-helix	trans	-64.9	-40	177.8	-179.2	0	0	0	0	111.6	F18 L19 T25 A26	F18-S22 WeakPolarHBondContact O-CB 3.22Å; F18-S22 PolarHBondContact O-N 3.48Å; L19-S22 PolarHBondContact O-N 3.34Å; S22-T25 WeakPolarHBondContact CA-OG1 3.24Å; S22-T25 PolarHBondContact O-OG1 3.35Å; S22-A26 VanDerWaalsContact O-CB 3.25Å; S22-A26 WeakPolarHBondContact O-CB 3.41Å; S22-A26 PolarHBondContact O-N 3.22Å
23	W	52.5	Low	55	Low	201 Å²	201	102.5 Å²	102.5	76%	0.761	51%	0.513	S	S	*	.	H	α-helix	trans	-70.2	-40	173.6	-90.5	29.4	0	0	0	113	L19 A26 W27	L19-W23 WeakPolarHBondContact O-CB 3.47Å; L19-W23 PolarHBondContact O-N 2.92Å; W23-A26 PolarHBondContact O-N 2.96Å; W23-W27 WeakPolarHBondContact O-CB 3.3Å; W23-W27 PolarHBondContact O-N 3.03Å
24	Y	54	Low	53.7	Low	132 Å²	132	101.9 Å²	101.9	52%	0.518	51%	0.51	S	S	.	.	H	α-helix	trans	-64.3	-41.7	177.2	-178.7	-102.1	0	0	0	112	S20 L21 W27 Q28	S20-Y24 WeakPolarHBondContact O-CB 3.32Å; S20-Y24 PolarHBondContact O-N 3.23Å; L21-Y24 PolarHBondContact O-N 3.22Å; Y24-W27 HydrophobicContact CD2-CE3 4.25Å; Y24-W27 HydrophobicContact CE2-CE3 4.39Å; Y24-W27 HydrophobicContact CE2-CZ3 4.33Å; Y24-W27 PolarHBondContact O-N 3.42Å; Y24-Q28 HydrophobicContact CD1-CG 4.41Å; Y24-Q28 HydrophobicContact CE1-CG 3.99Å; Y24-Q28 HydrophobicContact CE2-CG 4.39Å; Y24-Q28 WeakPolarHBondContact O-CB 3.42Å; Y24-Q28 WeakPolarHBondContact O-CG 3.42Å; Y24-Q28 PolarHBondContact O-N 2.96Å; Y24-Q28 PolarHBondContact OH-NE2 3.46Å; Y24-Q28 VanDerWaalsContact OH-NE2 3.17Å
25	T	54.7	Low	52.7	Low	71 Å²	71	98.4 Å²	98.4	44%	0.436	50%	0.498	S	S	.	.	H	α-helix	trans	-69.2	-39.3	175	51.6	0	0	0	0	112	L21 S22 W27 N29	L21-T25 WeakPolarHBondContact O-CB 3.49Å; L21-T25 VanDerWaalsContact O-CG2 3.32Å; L21-T25 WeakPolarHBondContact O-CG2 3.33Å; L21-T25 PolarHBondContact O-N 2.7Å; L21-T25 PolarHBondContact O-OG1 2.92Å; S22-T25 WeakPolarHBondContact CA-OG1 3.24Å; S22-T25 PolarHBondContact O-OG1 3.35Å; T25-W27 VanDerWaalsContact C-N 3.33Å; T25-W27 PolarHBondContact O-N 3.25Å; T25-N29 VanDerWaalsContact O-CB 3.29Å; T25-N29 WeakPolarHBondContact O-CB 3.39Å; T25-N29 PolarHBondContact O-N 3.33Å
26	A	47.4	Very low	51.8	Low	61 Å²	61	93.3 Å²	93.3	50%	0.504	48%	0.483	S	S	.	.	H	α-helix	trans	-64.1	-35.5	172.5	0	0	0	0	0	112.8	S22 W23 G30	S22-A26 VanDerWaalsContact O-CB 3.25Å; S22-A26 WeakPolarHBondContact O-CB 3.41Å; S22-A26 PolarHBondContact O-N 3.22Å; W23-A26 PolarHBondContact O-N 2.96Å; A26-G30 PolarHBondContact O-N 2.9Å
27	W	49.5	Very low	50.9	Low	136 Å²	136	95.2 Å²	95.2	52%	0.515	48%	0.481	S	S	.	.	H	α-helix	trans	-77.2	-40.3	178.9	-178.8	64.7	0	0	0	113.3	W23 Y24 T25 G30 K31	W23-W27 WeakPolarHBondContact O-CB 3.3Å; W23-W27 PolarHBondContact O-N 3.03Å; Y24-W27 HydrophobicContact CD2-CE3 4.25Å; Y24-W27 HydrophobicContact CE2-CE3 4.39Å; Y24-W27 HydrophobicContact CE2-CZ3 4.33Å; Y24-W27 PolarHBondContact O-N 3.42Å; T25-W27 VanDerWaalsContact C-N 3.33Å; T25-W27 PolarHBondContact O-N 3.25Å; W27-G30 PolarHBondContact O-N 3.49Å; W27-K31 WeakPolarHBondContact O-CB 3.14Å; W27-K31 PolarHBondContact O-N 2.91Å
28	Q	46.1	Very low	50.1	Low	72 Å²	72	99.3 Å²	99.3	34%	0.336	50%	0.495	S	S	.	.	H	α-helix	trans	-59.2	-50.1	169.3	-84.2	-87.9	-4.9	0	0	110.5	Y24 G30 K31 E32	Y24-Q28 HydrophobicContact CD1-CG 4.41Å; Y24-Q28 HydrophobicContact CE1-CG 3.99Å; Y24-Q28 HydrophobicContact CE2-CG 4.39Å; Y24-Q28 WeakPolarHBondContact O-CB 3.42Å; Y24-Q28 WeakPolarHBondContact O-CG 3.42Å; Y24-Q28 PolarHBondContact O-N 2.96Å; Y24-Q28 PolarHBondContact OH-NE2 3.46Å; Y24-Q28 VanDerWaalsContact OH-NE2 3.17Å; Q28-G30 VanDerWaalsContact C-N 3.27Å; Q28-G30 PolarHBondContact O-N 3.26Å; Q28-K31 PolarHBondContact O-N 2.79Å; Q28-K31 VanDerWaalsContact O-N 3.1Å; Q28-E32 PolarHBondContact O-N 3.36Å
29	N	42.6	Very low	49.5	Very low	96 Å²	96	100.8 Å²	100.8	51%	0.513	50%	0.496	S	S	.	.	H	α-helix	trans	-59.4	-37.6	173.1	-90.4	-15.7	0	0	0	112	T25 K31 K33	T25-N29 VanDerWaalsContact O-CB 3.29Å; T25-N29 WeakPolarHBondContact O-CB 3.39Å; T25-N29 PolarHBondContact O-N 3.33Å; N29-K31 VanDerWaalsContact C-N 3.34Å; N29-K33 WeakPolarHBondContact O-CB 3.47Å; N29-K33 WeakPolarHBondContact O-CG 3.48Å; N29-K33 PolarHBondContact O-N 2.84Å
30	G	44.1	Very low	49.2	Very low	36 Å²	36	101 Å²	101	37%	0.371	49%	0.494	S	S	.	.	H	α-helix	trans	-67.2	-31.4	176.4	0	0	0	0	0	113.8	A26 W27 Q28 L34	A26-G30 PolarHBondContact O-N 2.9Å; W27-G30 PolarHBondContact O-N 3.49Å; Q28-G30 VanDerWaalsContact C-N 3.27Å; Q28-G30 PolarHBondContact O-N 3.26Å; G30-L34 WeakPolarHBondContact O-CB 3.44Å; G30-L34 PolarHBondContact O-N 3.28Å
31	K	46	Very low	48.6	Very low	61 Å²	61	104.3 Å²	104.3	27%	0.265	50%	0.501	S	S	.	.	H	α-helix	trans	-82.2	-44.4	-178.7	174.1	175.4	-179.8	-173	0	112.8	W27 Q28 N29 K33 L34 I35 R435	W27-K31 WeakPolarHBondContact O-CB 3.14Å; W27-K31 PolarHBondContact O-N 2.91Å; Q28-K31 PolarHBondContact O-N 2.79Å; Q28-K31 VanDerWaalsContact O-N 3.1Å; N29-K31 VanDerWaalsContact C-N 3.34Å; K31-K33 VanDerWaalsContact C-N 3.27Å; K31-L34 PolarHBondContact O-N 2.83Å; K31-L34 VanDerWaalsContact O-N 3.15Å; K31-I35 PolarHBondContact O-N 3.28Å; K31-I35 VanDerWaalsContact O-N 3.11Å; K31-R435 VanDerWaalsContact CD-NH1 3.29Å; K31-R435 VanDerWaalsContact CE-CZ 3.42Å; K31-R435 VanDerWaalsContact CG-NH1 3.27Å
32	E	45.4	Very low	48.3	Very low	129 Å²	129	103.6 Å²	103.6	60%	0.603	49%	0.494	S	S	*	.	H	α-helix	trans	-61.4	-42	167.9	-78.8	-172.7	155.4	0	0	110	Q28 L34 I35 A36	Q28-E32 PolarHBondContact O-N 3.36Å; E32-L34 VanDerWaalsContact C-N 3.33Å; E32-L34 PolarHBondContact O-N 2.93Å; E32-I35 PolarHBondContact O-N 2.93Å; E32-A36 WeakPolarHBondContact O-CB 3.27Å; E32-A36 PolarHBondContact O-N 2.68Å
33	K	41.6	Very low	48.4	Very low	109 Å²	109	102.3 Å²	102.3	47%	0.474	49%	0.487	S	S	.	.	H	α-helix	trans	-58.3	-40.4	169.7	-84.3	178.9	177.9	-174.6	0	112.5	N29 K31 A36 Y37	N29-K33 WeakPolarHBondContact O-CB 3.47Å; N29-K33 WeakPolarHBondContact O-CG 3.48Å; N29-K33 PolarHBondContact O-N 2.84Å; K31-K33 VanDerWaalsContact C-N 3.27Å; K33-A36 CarbonylContact O-C 3.54Å; K33-Y37 VanDerWaalsContact C-CD2 3.45Å; K33-Y37 HydrophobicContact CB-CD2 3.88Å; K33-Y37 HydrophobicContact CB-CE2 3.58Å; K33-Y37 HydrophobicContact CD-CE2 4.14Å; K33-Y37 HydrophobicContact CG-CE2 4.06Å; K33-Y37 WeakPolarHBondContact O-CA 3.39Å; K33-Y37 WeakPolarHBondContact O-CB 3.44Å; K33-Y37 WeakPolarHBondContact O-CD2 3.33Å; K33-Y37 PolarHBondContact O-N 3.42Å
34	L	43	Very low	48.3	Very low	94 Å²	94	97.5 Å²	97.5	49%	0.492	48%	0.476	S	S	.	.	H	α-helix	trans	-68.4	-40.4	-178.4	-162.3	79.2	0	0	0	112.9	G30 K31 E32 Y37 Q38	G30-L34 WeakPolarHBondContact O-CB 3.44Å; G30-L34 PolarHBondContact O-N 3.28Å; K31-L34 PolarHBondContact O-N 2.83Å; K31-L34 VanDerWaalsContact O-N 3.15Å; E32-L34 VanDerWaalsContact C-N 3.33Å; E32-L34 PolarHBondContact O-N 2.93Å; L34-Y37 CarbonylContact O-C 3.56Å; L34-Y37 PolarHBondContact O-N 3.42Å; L34-Q38 PolarHBondContact O-N 2.78Å
35	I	49	Very low	48.1	Very low	81 Å²	81	97.3 Å²	97.3	42%	0.415	48%	0.477	S	S	.	.	H	α-helix	trans	-73.4	-40.9	177.1	-65.4	170.3	0	0	0	110.3	K31 E32 Y37 Q38 R39	K31-I35 PolarHBondContact O-N 3.28Å; K31-I35 VanDerWaalsContact O-N 3.11Å; E32-I35 PolarHBondContact O-N 2.93Å; I35-Y37 VanDerWaalsContact C-N 3.29Å; I35-Q38 PolarHBondContact O-N 3.46Å; I35-R39 PolarHBondContact O-N 2.95Å
36	A	43.9	Very low	48.3	Very low	41 Å²	41	96.8 Å²	96.8	34%	0.339	47%	0.47	S	S	.	.	H	α-helix	trans	-60.7	-41.3	169.8	0	0	0	0	0	110.3	E32 K33 R39 E40	E32-A36 WeakPolarHBondContact O-CB 3.27Å; E32-A36 PolarHBondContact O-N 2.68Å; K33-A36 CarbonylContact O-C 3.54Å; A36-R39 CarbonylContact O-C 3.58Å; A36-R39 PolarHBondContact O-N 3.41Å; A36-E40 WeakPolarHBondContact O-CA 3.21Å; A36-E40 WeakPolarHBondContact O-CB 3.24Å; A36-E40 WeakPolarHBondContact O-CG 3.31Å; A36-E40 PolarHBondContact O-N 2.84Å
37	Y	45.9	Very low	48.8	Very low	125 Å²	125	101.3 Å²	101.3	49%	0.49	47%	0.474	S	S	.	.	H	α-helix	trans	-69.2	-34.4	176.5	-74.9	-44	0	0	0	111.6	K33 L34 I35 F41	K33-Y37 VanDerWaalsContact C-CD2 3.45Å; K33-Y37 HydrophobicContact CB-CD2 3.88Å; K33-Y37 HydrophobicContact CB-CE2 3.58Å; K33-Y37 HydrophobicContact CD-CE2 4.14Å; K33-Y37 HydrophobicContact CG-CE2 4.06Å; K33-Y37 WeakPolarHBondContact O-CA 3.39Å; K33-Y37 WeakPolarHBondContact O-CB 3.44Å; K33-Y37 WeakPolarHBondContact O-CD2 3.33Å; K33-Y37 PolarHBondContact O-N 3.42Å; L34-Y37 CarbonylContact O-C 3.56Å; L34-Y37 PolarHBondContact O-N 3.42Å; I35-Y37 VanDerWaalsContact C-N 3.29Å; Y37-F41 WeakPolarHBondContact O-CA 3.38Å; Y37-F41 WeakPolarHBondContact O-CB 3.3Å; Y37-F41 PolarHBondContact O-N 3.42Å
38	Q	48.1	Very low	48.7	Very low	135 Å²	135	99.5 Å²	99.5	63%	0.631	47%	0.474	S	S	*	.	H	α-helix	trans	-69.1	-42.4	172.9	-85.1	177.7	-39.7	0	0	111.6	L34 I35 H42	L34-Q38 PolarHBondContact O-N 2.78Å; I35-Q38 PolarHBondContact O-N 3.46Å; Q38-H42 VanDerWaalsContact O-CB 3.27Å; Q38-H42 WeakPolarHBondContact O-CB 3.48Å; Q38-H42 PolarHBondContact O-N 3.09Å
39	R	52.3	Low	49.1	Very low	190 Å²	190	100.6 Å²	100.6	72%	0.717	48%	0.475	S	S	*	.	H	α-helix	trans	-67.6	-40.7	173.8	-78.4	-176.5	179.7	169.1	-0.2	112.3	I35 A36 A43	I35-R39 PolarHBondContact O-N 2.95Å; A36-R39 CarbonylContact O-C 3.58Å; A36-R39 PolarHBondContact O-N 3.41Å; R39-A43 WeakPolarHBondContact O-CB 3.5Å; R39-A43 PolarHBondContact O-N 3.26Å
40	E	52	Low	49.8	Very low	105 Å²	105	98.2 Å²	98.2	49%	0.491	46%	0.464	S	S	.	.	H	α-helix	trans	-70.2	-37.9	176.3	-79.7	-177.2	171.3	0	0	110.4	A36 A43 L44	A36-E40 WeakPolarHBondContact O-CA 3.21Å; A36-E40 WeakPolarHBondContact O-CB 3.24Å; A36-E40 WeakPolarHBondContact O-CG 3.31Å; A36-E40 PolarHBondContact O-N 2.84Å; E40-A43 CarbonylContact O-C 3.59Å; E40-A43 PolarHBondContact O-N 2.84Å; E40-L44 WeakPolarHBondContact O-CA 3.12Å; E40-L44 WeakPolarHBondContact O-CB 3.46Å; E40-L44 PolarHBondContact O-N 3.42Å
41	F	50.5	Low	50	Low	139 Å²	139	98.6 Å²	98.6	61%	0.61	46%	0.464	S	S	*	.	H	α-helix	trans	-70.5	-37.8	175.9	-171.7	-95.8	0	0	0	110.7	Y37 L44 K45	Y37-F41 WeakPolarHBondContact O-CA 3.38Å; Y37-F41 WeakPolarHBondContact O-CB 3.3Å; Y37-F41 PolarHBondContact O-N 3.42Å; F41-L44 PolarHBondContact O-N 3.2Å; F41-K45 WeakPolarHBondContact O-CB 3.48Å; F41-K45 PolarHBondContact O-N 3.24Å
42	H	51	Low	50.2	Low	101 Å²	101	100.8 Å²	100.8	47%	0.468	48%	0.475	S	S	.	.	H	α-helix	trans	-63.5	-50.2	168.7	-175.5	-76.2	0	0	0	110.5	Q38 L44 K45 E46	Q38-H42 VanDerWaalsContact O-CB 3.27Å; Q38-H42 WeakPolarHBondContact O-CB 3.48Å; Q38-H42 PolarHBondContact O-N 3.09Å; H42-L44 PolarHBondContact O-N 2.99Å; H42-K45 PolarHBondContact O-N 3.03Å; H42-E46 WeakPolarHBondContact O-CB 3.4Å; H42-E46 PolarHBondContact O-N 2.87Å
43	A	57.3	Low	50.6	Low	33 Å²	33	96.6 Å²	96.6	27%	0.273	46%	0.455	S	S	.	.	H	α-helix	trans	-65.2	-24.8	177.2	0	0	0	0	0	112.7	R39 E40 R47	R39-A43 WeakPolarHBondContact O-CB 3.5Å; R39-A43 PolarHBondContact O-N 3.26Å; E40-A43 CarbonylContact O-C 3.59Å; E40-A43 PolarHBondContact O-N 2.84Å; A43-R47 WeakPolarHBondContact O-CB 3.47Å; A43-R47 WeakPolarHBondContact O-CG 3.38Å; A43-R47 PolarHBondContact O-N 3.27Å; A43-R47 PolarHBondContact O-NE 3.26Å
44	L	49.3	Very low	51.3	Low	101 Å²	101	98.4 Å²	98.4	53%	0.529	46%	0.459	S	S	.	.	H	α-helix	trans	-84.6	-40.5	177.8	-175.7	72.2	0	0	0	110	E40 F41 H42 E46 R47 L48	E40-L44 WeakPolarHBondContact O-CA 3.12Å; E40-L44 WeakPolarHBondContact O-CB 3.46Å; E40-L44 PolarHBondContact O-N 3.42Å; F41-L44 PolarHBondContact O-N 3.2Å; H42-L44 PolarHBondContact O-N 2.99Å; L44-E46 VanDerWaalsContact C-N 3.31Å; L44-R47 CarbonylContact O-C 3.57Å; L44-R47 PolarHBondContact O-N 3.08Å; L44-L48 WeakPolarHBondContact O-CA 3.05Å; L44-L48 WeakPolarHBondContact O-CB 3.27Å; L44-L48 PolarHBondContact O-N 2.83Å
45	K	50.8	Low	51.5	Low	127 Å²	127	98.1 Å²	98.1	55%	0.552	46%	0.462	S	S	*	.	H	α-helix	trans	-63.4	-41.3	171.4	-174.1	-179.1	179.1	-172.8	0	110.1	F41 H42 L48 R49	F41-K45 WeakPolarHBondContact O-CB 3.48Å; F41-K45 PolarHBondContact O-N 3.24Å; H42-K45 PolarHBondContact O-N 3.03Å; K45-L48 PolarHBondContact O-N 2.79Å; K45-R49 WeakPolarHBondContact O-CB 3.2Å; K45-R49 PolarHBondContact O-N 2.8Å
46	E	58.8	Low	51.6	Low	60 Å²	60	99.9 Å²	99.9	28%	0.28	47%	0.471	S	S	.	.	H	α-helix	trans	-66.8	-48.7	173.4	-164.2	59.1	-151.2	0	0	110.7	H42 L44 L48 R49 V50	H42-E46 WeakPolarHBondContact O-CB 3.4Å; H42-E46 PolarHBondContact O-N 2.87Å; L44-E46 VanDerWaalsContact C-N 3.31Å; E46-L48 VanDerWaalsContact C-N 3.26Å; E46-L48 PolarHBondContact O-N 3.15Å; E46-R49 PolarHBondContact O-N 3.45Å; E46-V50 VanDerWaalsContact O-CB 3.23Å; E46-V50 WeakPolarHBondContact O-CB 3.45Å; E46-V50 WeakPolarHBondContact O-CG2 3.43Å; E46-V50 PolarHBondContact O-N 2.77Å
47	R	57.8	Low	52	Low	157 Å²	157	100.9 Å²	100.9	59%	0.592	47%	0.469	S	S	*	.	H	α-helix	trans	-61.1	-34.6	174	-83.2	179.1	-89	-177.2	-7.7	112.6	A43 L44 A51	A43-R47 WeakPolarHBondContact O-CB 3.47Å; A43-R47 WeakPolarHBondContact O-CG 3.38Å; A43-R47 PolarHBondContact O-N 3.27Å; A43-R47 PolarHBondContact O-NE 3.26Å; L44-R47 CarbonylContact O-C 3.57Å; L44-R47 PolarHBondContact O-N 3.08Å; R47-A51 WeakPolarHBondContact O-CA 3.34Å; R47-A51 WeakPolarHBondContact O-CB 3.39Å; R47-A51 PolarHBondContact O-N 3.28Å
48	L	46.9	Very low	52.3	Low	98 Å²	98	102.8 Å²	102.8	51%	0.513	48%	0.475	S	S	.	.	H	α-helix	trans	-72.7	-47	179.2	-175.7	68.9	0	0	0	110.1	L44 K45 E46 A51 E52	L44-L48 WeakPolarHBondContact O-CA 3.05Å; L44-L48 WeakPolarHBondContact O-CB 3.27Å; L44-L48 PolarHBondContact O-N 2.83Å; K45-L48 PolarHBondContact O-N 2.79Å; E46-L48 VanDerWaalsContact C-N 3.26Å; E46-L48 PolarHBondContact O-N 3.15Å; L48-A51 CarbonylContact O-C 3.56Å; L48-A51 PolarHBondContact O-N 3.45Å; L48-A51 VanDerWaalsContact O-N 3.14Å; L48-E52 WeakPolarHBondContact O-CB 3.3Å; L48-E52 WeakPolarHBondContact O-CG 3.43Å; L48-E52 PolarHBondContact O-N 3.32Å
49	R	54.2	Low	52.3	Low	94 Å²	94	99 Å²	99	36%	0.355	46%	0.464	S	S	.	.	H	α-helix	trans	-63.2	-42.6	173	-86.3	-163.6	83.5	159	-0.7	111.8	K45 E46 A51 E52 H53 D304	K45-R49 WeakPolarHBondContact O-CB 3.2Å; K45-R49 PolarHBondContact O-N 2.8Å; E46-R49 PolarHBondContact O-N 3.45Å; R49-A51 VanDerWaalsContact C-N 3.28Å; R49-A51 PolarHBondContact O-N 3.09Å; R49-E52 PolarHBondContact O-N 3.26Å; R49-H53 WeakPolarHBondContact O-CB 3.14Å; R49-H53 PolarHBondContact O-N 3.4Å; R49-D304 IonicContact CZ-OD1 3.72Å; R49-D304 IonicContact NH1-OD1 3.9Å; R49-D304 IonicContact NH2-OD1 2.76Å; R49-D304 PolarHBondContact NH2-OD1 3.28Å
50	V	57.7	Low	52.3	Low	46 Å²	46	93.3 Å²	93.3	28%	0.279	45%	0.453	S	S	.	.	H	α-helix	trans	-62.9	-36.8	173.7	170.4	0	0	0	0	110.4	E46 R54	E46-V50 VanDerWaalsContact O-CB 3.23Å; E46-V50 WeakPolarHBondContact O-CB 3.45Å; E46-V50 WeakPolarHBondContact O-CG2 3.43Å; E46-V50 PolarHBondContact O-N 2.77Å; V50-R54 HydrophobicContact CG1-CG 4.32Å; V50-R54 WeakPolarHBondContact O-CB 3.22Å; V50-R54 WeakPolarHBondContact O-CG 3.35Å; V50-R54 PolarHBondContact O-N 3.3Å
51	A	49.1	Very low	52.5	Low	45 Å²	45	93.4 Å²	93.4	37%	0.372	45%	0.453	S	S	.	.	H	α-helix	trans	-71.8	-43.5	176.2	0	0	0	0	0	112.4	R47 L48 R49 H53 R54 T55	R47-A51 WeakPolarHBondContact O-CA 3.34Å; R47-A51 WeakPolarHBondContact O-CB 3.39Å; R47-A51 PolarHBondContact O-N 3.28Å; L48-A51 CarbonylContact O-C 3.56Å; L48-A51 PolarHBondContact O-N 3.45Å; L48-A51 VanDerWaalsContact O-N 3.14Å; R49-A51 VanDerWaalsContact C-N 3.28Å; R49-A51 PolarHBondContact O-N 3.09Å; A51-H53 VanDerWaalsContact C-N 3.32Å; A51-R54 PolarHBondContact O-N 2.96Å; A51-T55 VanDerWaalsContact O-CB 3.27Å; A51-T55 WeakPolarHBondContact O-CB 3.4Å; A51-T55 PolarHBondContact O-N 2.83Å; A51-T55 PolarHBondContact O-OG1 3.18Å
52	E	48.8	Very low	52.7	Low	106 Å²	106	92.1 Å²	92.1	50%	0.495	45%	0.452	S	S	.	.	H	α-helix	trans	-60.6	-44	173.1	-76.6	176.4	168.1	0	0	110.3	L48 R49 T55 L56	L48-E52 WeakPolarHBondContact O-CB 3.3Å; L48-E52 WeakPolarHBondContact O-CG 3.43Å; L48-E52 PolarHBondContact O-N 3.32Å; R49-E52 PolarHBondContact O-N 3.26Å; E52-T55 CarbonylContact O-C 3.6Å; E52-T55 WeakPolarHBondContact O-CB 2.95Å; E52-T55 PolarHBondContact O-N 2.65Å; E52-L56 WeakPolarHBondContact O-CG 3.41Å; E52-L56 PolarHBondContact O-N 2.78Å
53	H	54.7	Low	52.8	Low	42 Å²	42	90.3 Å²	90.3	19%	0.194	45%	0.446	C	S	.	.	H	α-helix	trans	-69.1	-42.5	177.5	-168.5	57.6	0	0	0	112.2	R49 A51 T55 L56 Q57 N306	R49-H53 WeakPolarHBondContact O-CB 3.14Å; R49-H53 PolarHBondContact O-N 3.4Å; A51-H53 VanDerWaalsContact C-N 3.32Å; H53-T55 PolarHBondContact O-N 3.33Å; H53-L56 CarbonylContact O-C 3.59Å; H53-L56 WeakPolarHBondContact O-CB 3.04Å; H53-L56 PolarHBondContact O-N 2.8Å; H53-Q57 PolarHBondContact NE2-NE2 3.05Å; H53-Q57 WeakPolarHBondContact O-CB 3.17Å; H53-Q57 WeakPolarHBondContact O-CG 3.34Å; H53-Q57 PolarHBondContact O-N 2.85Å; H53-N306 PolarHBondContact CE1-ND2 3.24Å; H53-N306 PolarHBondContact NE2-ND2 3.3Å
54	R	56.3	Low	52.8	Low	146 Å²	146	91.4 Å²	91.4	55%	0.551	45%	0.445	S	S	*	.	H	α-helix	trans	-61.2	-32	169.9	-79.6	173.6	-178.8	-179	1.5	111.8	V50 A51 R58	V50-R54 HydrophobicContact CG1-CG 4.32Å; V50-R54 WeakPolarHBondContact O-CB 3.22Å; V50-R54 WeakPolarHBondContact O-CG 3.35Å; V50-R54 PolarHBondContact O-N 3.3Å; A51-R54 PolarHBondContact O-N 2.96Å; R54-R58 WeakPolarHBondContact O-CB 3.44Å; R54-R58 WeakPolarHBondContact O-CG 3.46Å; R54-R58 PolarHBondContact O-N 3.19Å
55	T	47.2	Very low	53.3	Low	89 Å²	89	90.2 Å²	90.2	55%	0.546	44%	0.439	S	S	.	.	H	α-helix	trans	-71.5	-41.2	175.9	-59	0	0	0	0	110.4	A51 E52 H53 S59	A51-T55 VanDerWaalsContact O-CB 3.27Å; A51-T55 WeakPolarHBondContact O-CB 3.4Å; A51-T55 PolarHBondContact O-N 2.83Å; A51-T55 PolarHBondContact O-OG1 3.18Å; E52-T55 CarbonylContact O-C 3.6Å; E52-T55 WeakPolarHBondContact O-CB 2.95Å; E52-T55 PolarHBondContact O-N 2.65Å; H53-T55 PolarHBondContact O-N 3.33Å; T55-S59 VanDerWaalsContact O-CB 3.27Å; T55-S59 WeakPolarHBondContact O-CB 3.08Å; T55-S59 PolarHBondContact O-N 2.76Å
56	L	51.8	Low	53.5	Low	117 Å²	117	86.1 Å²	86.1	61%	0.613	42%	0.423	S	S	*	.	H	α-helix	trans	-64.6	-44.4	172.5	-77.8	159.7	0	0	0	112.1	E52 H53 S59 S60	E52-L56 WeakPolarHBondContact O-CG 3.41Å; E52-L56 PolarHBondContact O-N 2.78Å; H53-L56 CarbonylContact O-C 3.59Å; H53-L56 WeakPolarHBondContact O-CB 3.04Å; H53-L56 PolarHBondContact O-N 2.8Å; L56-S59 WeakPolarHBondContact O-CB 3.1Å; L56-S59 PolarHBondContact O-N 3.07Å; L56-S60 PolarHBondContact O-N 3.24Å
57	Q	52.3	Low	53.5	Low	63 Å²	63	86.9 Å²	86.9	29%	0.294	43%	0.426	S	S	.	.	H	α-helix	trans	-61.9	-49.8	173.6	-77.9	-177.8	-28.3	0	0	111.1	H53 S59 S60 E61	H53-Q57 PolarHBondContact NE2-NE2 3.05Å; H53-Q57 WeakPolarHBondContact O-CB 3.17Å; H53-Q57 WeakPolarHBondContact O-CG 3.34Å; H53-Q57 PolarHBondContact O-N 2.85Å; Q57-S59 PolarHBondContact O-N 3.17Å; Q57-S60 CarbonylContact O-C 3.59Å; Q57-S60 PolarHBondContact O-N 3.22Å; Q57-S60 PolarHBondContact O-OG 3.41Å; Q57-S60 VanDerWaalsContact O-OG 3.07Å; Q57-E61 WeakPolarHBondContact O-CB 3.33Å; Q57-E61 WeakPolarHBondContact O-CG 3.14Å; Q57-E61 PolarHBondContact O-N 3.09Å
58	R	51.5	Low	53.6	Low	164 Å²	164	83.7 Å²	83.7	62%	0.619	42%	0.418	S	S	*	.	H	α-helix	trans	-59	-36.8	174.3	-79.4	179.4	-168	179.4	3.1	111.9	R54 L62	R54-R58 WeakPolarHBondContact O-CB 3.44Å; R54-R58 WeakPolarHBondContact O-CG 3.46Å; R54-R58 PolarHBondContact O-N 3.19Å; R58-L62 WeakPolarHBondContact O-CB 3.33Å; R58-L62 WeakPolarHBondContact O-CD1 3.44Å; R58-L62 VanDerWaalsContact O-CG 3.3Å; R58-L62 WeakPolarHBondContact O-CG 3.44Å; R58-L62 PolarHBondContact O-N 2.78Å
59	S	48.2	Very low	54.1	Low	57 Å²	57	84.1 Å²	84.1	40%	0.399	42%	0.416	S	S	.	.	H	α-helix	trans	-66.9	-38.5	175.3	-174.9	0	0	0	0	111.5	T55 L56 Q57 N63	T55-S59 VanDerWaalsContact O-CB 3.27Å; T55-S59 WeakPolarHBondContact O-CB 3.08Å; T55-S59 PolarHBondContact O-N 2.76Å; L56-S59 WeakPolarHBondContact O-CB 3.1Å; L56-S59 PolarHBondContact O-N 3.07Å; Q57-S59 PolarHBondContact O-N 3.17Å; S59-N63 WeakPolarHBondContact O-CB 3.17Å; S59-N63 PolarHBondContact O-N 3.21Å; S59-N63 PolarHBondContact O-ND2 3.09Å; S59-N63 VanDerWaalsContact O-ND2 3.08Å
60	S	51.5	Low	54.4	Low	69 Å²	69	82.8 Å²	82.8	48%	0.483	41%	0.411	S	S	.	.	H	α-helix	trans	-73.4	-39.8	177.5	87.7	0	0	0	0	111.8	L56 Q57 N63 H64	L56-S60 PolarHBondContact O-N 3.24Å; Q57-S60 CarbonylContact O-C 3.59Å; Q57-S60 PolarHBondContact O-N 3.22Å; Q57-S60 PolarHBondContact O-OG 3.41Å; Q57-S60 VanDerWaalsContact O-OG 3.07Å; S60-N63 CarbonylContact O-C 3.51Å; S60-N63 PolarHBondContact O-N 3.28Å; S60-H64 WeakPolarHBondContact O-CB 3.23Å; S60-H64 PolarHBondContact O-N 2.92Å
61	E	56.4	Low	54.6	Low	108 Å²	108	85.5 Å²	85.5	51%	0.505	42%	0.416	S	S	.	.	H	α-helix	trans	-62	-45.5	171.6	-73.5	173.1	-178.3	0	0	111	Q57 N63 H64 I65	Q57-E61 WeakPolarHBondContact O-CB 3.33Å; Q57-E61 WeakPolarHBondContact O-CG 3.14Å; Q57-E61 PolarHBondContact O-N 3.09Å; E61-N63 VanDerWaalsContact C-N 3.32Å; E61-N63 PolarHBondContact O-N 3.01Å; E61-H64 WeakPolarHBondContact O-CB 3.43Å; E61-H64 PolarHBondContact O-N 3.07Å; E61-H64 VanDerWaalsContact O-N 3.15Å; E61-I65 WeakPolarHBondContact O-CB 3.4Å; E61-I65 VanDerWaalsContact O-CG1 3.24Å; E61-I65 WeakPolarHBondContact O-CG1 3.19Å; E61-I65 PolarHBondContact O-N 3.12Å
62	L	54.1	Low	55.1	Low	111 Å²	111	85.8 Å²	85.8	58%	0.581	42%	0.418	S	S	*	.	H	α-helix	trans	-59.1	-45.2	173.5	-89.1	159.6	0	0	0	110.8	R58 H64 I65 L66	R58-L62 WeakPolarHBondContact O-CB 3.33Å; R58-L62 WeakPolarHBondContact O-CD1 3.44Å; R58-L62 VanDerWaalsContact O-CG 3.3Å; R58-L62 WeakPolarHBondContact O-CG 3.44Å; R58-L62 PolarHBondContact O-N 2.78Å; L62-H64 VanDerWaalsContact C-N 3.31Å; L62-H64 PolarHBondContact O-N 3.18Å; L62-I65 PolarHBondContact O-N 2.67Å; L62-L66 VanDerWaalsContact O-CB 3.24Å; L62-L66 WeakPolarHBondContact O-CB 3.23Å; L62-L66 PolarHBondContact O-N 3.4Å
63	N	54	Low	55.4	Low	63 Å²	63	84.2 Å²	84.2	34%	0.337	41%	0.413	S	S	.	.	H	α-helix	trans	-64.1	-36.8	176.1	-73.7	-28.9	0	0	0	112	S59 S60 E61 L66 E67	S59-N63 WeakPolarHBondContact O-CB 3.17Å; S59-N63 PolarHBondContact O-N 3.21Å; S59-N63 PolarHBondContact O-ND2 3.09Å; S59-N63 VanDerWaalsContact O-ND2 3.08Å; S60-N63 CarbonylContact O-C 3.51Å; S60-N63 PolarHBondContact O-N 3.28Å; E61-N63 VanDerWaalsContact C-N 3.32Å; E61-N63 PolarHBondContact O-N 3.01Å; N63-L66 PolarHBondContact O-N 3Å; N63-E67 PolarHBondContact O-N 3.04Å
64	H	57.5	Low	55.5	Low	57 Å²	57	85.5 Å²	85.5	26%	0.264	43%	0.43	S	S	.	.	H	α-helix	trans	-66.5	-47	176	-177.2	66	0	0	0	111.8	S60 E61 L62 L66 E67 Q68 Y109	S60-H64 WeakPolarHBondContact O-CB 3.23Å; S60-H64 PolarHBondContact O-N 2.92Å; E61-H64 WeakPolarHBondContact O-CB 3.43Å; E61-H64 PolarHBondContact O-N 3.07Å; E61-H64 VanDerWaalsContact O-N 3.15Å; L62-H64 VanDerWaalsContact C-N 3.31Å; L62-H64 PolarHBondContact O-N 3.18Å; H64-L66 VanDerWaalsContact C-N 3.29Å; H64-L66 PolarHBondContact O-N 3.32Å; H64-E67 PolarHBondContact O-N 2.73Å; H64-Q68 PolarHBondContact NE2-NE2 3.44Å; H64-Q68 WeakPolarHBondContact O-CG 3.21Å; H64-Q68 PolarHBondContact O-N 3.14Å; H64-Y109 AromaticContact CE1-CE2 3.83Å; H64-Y109 AromaticContact CE1-CZ 3.83Å; H64-Y109 PolarHBondContact CE1-OH 2.87Å; H64-Y109 VanDerWaalsContact CE1-OH 3.28Å; H64-Y109 AromaticContact ND1-CE2 3.62Å
65	I	58.7	Low	55.5	Low	76 Å²	76	86 Å²	86	39%	0.39	44%	0.439	S	S	.	.	H	α-helix	trans	-58.1	-44.4	173.3	-71.1	167.4	0	0	0	109.6	E61 L62 E67 Q68 F69	E61-I65 WeakPolarHBondContact O-CB 3.4Å; E61-I65 VanDerWaalsContact O-CG1 3.24Å; E61-I65 WeakPolarHBondContact O-CG1 3.19Å; E61-I65 PolarHBondContact O-N 3.12Å; L62-I65 PolarHBondContact O-N 2.67Å; I65-E67 VanDerWaalsContact C-N 3.33Å; I65-E67 PolarHBondContact O-N 3.42Å; I65-Q68 PolarHBondContact O-N 2.77Å; I65-F69 HydrophobicContact CG2-CD2 3.51Å; I65-F69 HydrophobicContact CG2-CE2 3.52Å; I65-F69 WeakPolarHBondContact O-CB 3.15Å; I65-F69 WeakPolarHBondContact O-CD2 3.38Å; I65-F69 PolarHBondContact O-N 2.79Å
66	L	55.6	Low	56	Low	41 Å²	41	85 Å²	85	22%	0.215	43%	0.433	C	S	.	.	H	α-helix	trans	-62.3	-39.9	178.7	-147	162.5	0	0	0	111.4	L62 N63 H64 R70 L97	L62-L66 VanDerWaalsContact O-CB 3.24Å; L62-L66 WeakPolarHBondContact O-CB 3.23Å; L62-L66 PolarHBondContact O-N 3.4Å; N63-L66 PolarHBondContact O-N 3Å; H64-L66 VanDerWaalsContact C-N 3.29Å; H64-L66 PolarHBondContact O-N 3.32Å; L66-R70 HydrophobicContact CD2-CG 4.3Å; L66-R70 WeakPolarHBondContact O-CG 3.4Å; L66-R70 PolarHBondContact O-N 3.39Å; L66-L97 HydrophobicContact CD1-CD2 4.14Å
67	E	59	Low	55.7	Low	75 Å²	75	86.6 Å²	86.6	35%	0.35	44%	0.442	S	S	.	.	H	α-helix	trans	-69.6	-40.6	173.9	-80.8	-62.6	138.4	0	0	113.1	N63 H64 I65 F69 R70 R71	N63-E67 PolarHBondContact O-N 3.04Å; H64-E67 PolarHBondContact O-N 2.73Å; I65-E67 VanDerWaalsContact C-N 3.33Å; I65-E67 PolarHBondContact O-N 3.42Å; E67-F69 VanDerWaalsContact C-N 3.34Å; E67-F69 PolarHBondContact O-N 2.83Å; E67-R70 WeakPolarHBondContact O-CB 3.45Å; E67-R70 PolarHBondContact O-N 3.25Å; E67-R70 IonicContact OE1-CZ 3.84Å; E67-R70 IonicContact OE1-NH1 2.83Å; E67-R70 PolarHBondContact OE1-NH1 3Å; E67-R71 WeakPolarHBondContact O-CG 2.86Å; E67-R71 PolarHBondContact O-N 2.89Å
68	Q	59.3	Low	55.7	Low	90 Å²	90	87 Å²	87	42%	0.421	46%	0.464	S	S	.	.	H	α-helix	trans	-60.7	-43.3	172.7	-75.9	-176.3	-33	0	0	111.4	H64 I65 R71 A72	H64-Q68 PolarHBondContact NE2-NE2 3.44Å; H64-Q68 WeakPolarHBondContact O-CG 3.21Å; H64-Q68 PolarHBondContact O-N 3.14Å; I65-Q68 PolarHBondContact O-N 2.77Å; Q68-R71 PolarHBondContact O-N 3.29Å; Q68-A72 PolarHBondContact O-N 3.39Å
69	F	58.7	Low	55.5	Low	107 Å²	107	82.3 Å²	82.3	47%	0.469	46%	0.456	S	S	.	.	H	α-helix	trans	-64.6	-40	174.4	-87.8	-69.9	0	0	0	112.2	I65 E67 R71 A72 I73	I65-F69 HydrophobicContact CG2-CD2 3.51Å; I65-F69 HydrophobicContact CG2-CE2 3.52Å; I65-F69 WeakPolarHBondContact O-CB 3.15Å; I65-F69 WeakPolarHBondContact O-CD2 3.38Å; I65-F69 PolarHBondContact O-N 2.79Å; E67-F69 VanDerWaalsContact C-N 3.34Å; E67-F69 PolarHBondContact O-N 2.83Å; F69-R71 VanDerWaalsContact C-N 3.32Å; F69-R71 PolarHBondContact O-N 3.38Å; F69-A72 PolarHBondContact O-N 2.78Å; F69-I73 WeakPolarHBondContact O-CB 3.32Å; F69-I73 WeakPolarHBondContact O-CD1 3.12Å; F69-I73 WeakPolarHBondContact O-CG1 3.06Å; F69-I73 PolarHBondContact O-N 2.96Å
70	R	59.4	Low	55.7	Low	66 Å²	66	88 Å²	88	25%	0.249	47%	0.473	C	S	.	.	H	α-helix	trans	-60.4	-41.7	173.8	-80.4	174.1	176.6	174.3	-0.4	112	L66 E67 I73 A74 A102	L66-R70 HydrophobicContact CD2-CG 4.3Å; L66-R70 WeakPolarHBondContact O-CG 3.4Å; L66-R70 PolarHBondContact O-N 3.39Å; E67-R70 WeakPolarHBondContact O-CB 3.45Å; E67-R70 PolarHBondContact O-N 3.25Å; E67-R70 IonicContact OE1-CZ 3.84Å; E67-R70 IonicContact OE1-NH1 2.83Å; E67-R70 PolarHBondContact OE1-NH1 3Å; R70-I73 PolarHBondContact O-N 2.89Å; R70-A74 WeakPolarHBondContact O-CB 3.31Å; R70-A74 PolarHBondContact O-N 3.15Å; R70-A102 VanDerWaalsContact NH2-CB 3.31Å
71	R	62.8	Low	55.6	Low	103 Å²	103	90.3 Å²	90.3	39%	0.389	48%	0.48	S	S	.	.	H	α-helix	trans	-64.3	-47.7	174.9	-74.6	-176.8	-178.7	-164.2	-2.9	112	E67 Q68 F69 I73 A74 E75	E67-R71 WeakPolarHBondContact O-CG 2.86Å; E67-R71 PolarHBondContact O-N 2.89Å; Q68-R71 PolarHBondContact O-N 3.29Å; F69-R71 VanDerWaalsContact C-N 3.32Å; F69-R71 PolarHBondContact O-N 3.38Å; R71-I73 PolarHBondContact O-N 2.96Å; R71-A74 CarbonylContact O-C 3.6Å; R71-A74 PolarHBondContact O-N 3.11Å; R71-E75 WeakPolarHBondContact O-CB 3.42Å; R71-E75 WeakPolarHBondContact O-CG 3.31Å; R71-E75 PolarHBondContact O-N 2.88Å
72	A	58.7	Low	55.4	Low	51 Å²	51	87.6 Å²	87.6	42%	0.421	48%	0.477	S	S	.	.	H	α-helix	trans	-58.2	-37.2	177	0	0	0	0	0	112.1	Q68 F69 T76	Q68-A72 PolarHBondContact O-N 3.39Å; F69-A72 PolarHBondContact O-N 2.78Å; A72-T76 WeakPolarHBondContact O-CB 3.49Å; A72-T76 WeakPolarHBondContact O-CG2 2.87Å; A72-T76 PolarHBondContact O-N 3.23Å; A72-T76 PolarHBondContact O-OG1 3.28Å
73	I	55.4	Low	55.2	Low	74 Å²	74	86 Å²	86	38%	0.379	47%	0.468	S	S	.	.	H	α-helix	trans	-72.1	-36.4	174.8	-67.1	166.1	0	0	0	112	F69 R70 R71 T76	F69-I73 WeakPolarHBondContact O-CB 3.32Å; F69-I73 WeakPolarHBondContact O-CD1 3.12Å; F69-I73 WeakPolarHBondContact O-CG1 3.06Å; F69-I73 PolarHBondContact O-N 2.96Å; R70-I73 PolarHBondContact O-N 2.89Å; R71-I73 PolarHBondContact O-N 2.96Å; I73-T76 WeakPolarHBondContact CA-OG1 3.47Å; I73-T76 PolarHBondContact O-OG1 3.45Å; I73-T76 VanDerWaalsContact O-OG1 3.07Å
74	A	56.7	Low	55.1	Low	68 Å²	68	88.9 Å²	88.9	56%	0.562	48%	0.482	S	S	*	.	H	α-helix	trans	-72.3	-39	177.7	0	0	0	0	0	112.3	R70 R71 T76 N77	R70-A74 WeakPolarHBondContact O-CB 3.31Å; R70-A74 PolarHBondContact O-N 3.15Å; R71-A74 CarbonylContact O-C 3.6Å; R71-A74 PolarHBondContact O-N 3.11Å; A74-T76 VanDerWaalsContact C-N 3.33Å; A74-N77 PolarHBondContact O-N 2.86Å
75	E	56.5	Low	55	Low	156 Å²	156	91.2 Å²	91.2	73%	0.729	51%	0.505	S	S	*	.	H	α-helix	trans	-71.2	-26.7	177.7	-74	177.8	176.6	0	0	112.7	R71 N77	R71-E75 WeakPolarHBondContact O-CB 3.42Å; R71-E75 WeakPolarHBondContact O-CG 3.31Å; R71-E75 PolarHBondContact O-N 2.88Å; E75-N77 PolarHBondContact O-N 2.76Å
76	T	57.3	Low	55	Low	70 Å²	70	92.1 Å²	92.1	43%	0.429	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	6.1	175.9	39.8	0	0	0	0	114.4	A72 I73 A74 G78 S79	A72-T76 WeakPolarHBondContact O-CB 3.49Å; A72-T76 WeakPolarHBondContact O-CG2 2.87Å; A72-T76 PolarHBondContact O-N 3.23Å; A72-T76 PolarHBondContact O-OG1 3.28Å; I73-T76 WeakPolarHBondContact CA-OG1 3.47Å; I73-T76 PolarHBondContact O-OG1 3.45Å; I73-T76 VanDerWaalsContact O-OG1 3.07Å; A74-T76 VanDerWaalsContact C-N 3.33Å; T76-G78 VanDerWaalsContact C-N 3.35Å; T76-G78 PolarHBondContact O-N 3.24Å; T76-G78 VanDerWaalsContact O-N 3.14Å; T76-S79 PolarHBondContact O-N 3.26Å
77	N	45.3	Very low	55.4	Low	149 Å²	149	93.1 Å²	93.1	80%	0.797	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	40.1	57	170.7	-96.4	-15.4	0	0	0	113.6	A74 E75 S79	A74-N77 PolarHBondContact O-N 2.86Å; E75-N77 PolarHBondContact O-N 2.76Å; N77-S79 PolarHBondContact O-N 3.02Å
78	G	52.8	Low	55.5	Low	73 Å²	73	95.9 Å²	95.9	75%	0.753	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	19.7	166.3	0	0	0	0	0	116.3	T76 K80	T76-G78 VanDerWaalsContact C-N 3.35Å; T76-G78 PolarHBondContact O-N 3.24Å; T76-G78 VanDerWaalsContact O-N 3.14Å; G78-K80 PolarHBondContact O-N 2.87Å
79	S	47.9	Very low	55.6	Low	64 Å²	64	99 Å²	99	45%	0.448	55%	0.548	S	S	.	.			trans	-72	115.5	170.6	-166.1	0	0	0	0	108.5	T76 N77 D81 A82	T76-S79 PolarHBondContact O-N 3.26Å; N77-S79 PolarHBondContact O-N 3.02Å; S79-D81 PolarHBondContact O-N 3.42Å; S79-A82 PolarHBondContact O-N 3.45Å
80	K	51.1	Low	55.5	Low	176 Å²	176	96.8 Å²	96.8	77%	0.765	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-15.8	178.3	-75.7	177.8	174.7	175.4	0	112.8	G78 I84	G78-K80 PolarHBondContact O-N 2.87Å; K80-I84 WeakPolarHBondContact O-CG1 3.25Å
81	D	50.3	Low	55.3	Low	118 Å²	118	96.3 Å²	96.3	63%	0.631	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-26.4	-172.1	-63.1	-27.9	0	0	0	114.6	S79 L83	S79-D81 PolarHBondContact O-N 3.42Å; D81-L83 VanDerWaalsContact C-N 3.34Å; D81-L83 PolarHBondContact O-N 3Å
82	A	51.7	Low	55.3	Low	52 Å²	52	99 Å²	99	43%	0.43	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.6	-24.7	178.9	0	0	0	0	0	113.2	S79	S79-A82 PolarHBondContact O-N 3.45Å
83	L	49.9	Very low	55.2	Low	78 Å²	78	101.6 Å²	101.6	41%	0.408	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.6	-22.8	178.8	-90.9	150.7	0	0	0	112.8	D81 S85 F86 Q91	D81-L83 VanDerWaalsContact C-N 3.34Å; D81-L83 PolarHBondContact O-N 3Å; L83-S85 PolarHBondContact O-N 3.31Å; L83-F86 PolarHBondContact O-N 3.36Å; L83-Q91 HydrophobicContact CD2-CG 4.28Å; L83-Q91 PolarHBondContact O-NE2 3.46Å
84	I	52.2	Low	55.1	Low	122 Å²	122	100 Å²	100	63%	0.626	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-19.3	-177.4	-61.1	170.3	0	0	0	112.2	K80 F86	K80-I84 WeakPolarHBondContact O-CG1 3.25Å; I84-F86 VanDerWaalsContact C-N 3.28Å; I84-F86 PolarHBondContact O-N 3.38Å
85	S	56.5	Low	55	Low	106 Å²	106	103.8 Å²	103.8	74%	0.741	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-10.8	176.7	179.7	0	0	0	0	114.3	L83	L83-S85 PolarHBondContact O-N 3.31Å
86	F	58.7	Low	55	Low	96 Å²	96	102.7 Å²	102.7	42%	0.421	56%	0.556	S	S	.	*	S	Bend	trans	-103.2	143.1	-177.5	-68.2	-80.2	0	0	0	110.8	L83 I84 T90 Q91	L83-F86 PolarHBondContact O-N 3.36Å; I84-F86 VanDerWaalsContact C-N 3.28Å; I84-F86 PolarHBondContact O-N 3.38Å; F86-T90 HydrophobicContact CD1-CG2 4.25Å; F86-Q91 HydrophobicContact CB-CG 4.36Å
87	S	63.5	Low	54.8	Low	62 Å²	62	102.9 Å²	102.9	43%	0.434	55%	0.554	S	S	.	*			trans	-61	153.5	176.6	92	0	0	0	0	111.3	E89 T90 Q91	S87-E89 PolarHBondContact O-N 3.39Å; S87-E89 VanDerWaalsContact O-N 3.13Å; S87-T90 WeakPolarHBondContact O-CB 3.33Å; S87-T90 PolarHBondContact O-N 2.78Å; S87-T90 PolarHBondContact OG-OG1 3.33Å; S87-T90 VanDerWaalsContact OG-OG1 3.11Å; S87-Q91 PolarHBondContact O-N 2.67Å
88	D	60.3	Low	55.1	Low	133 Å²	133	98.8 Å²	98.8	71%	0.711	53%	0.534	S	S	*	.	H	α-helix	trans	-54.4	-32.1	-179.5	-91.8	-20.7	0	0	0	113	K92	D88-K92 WeakPolarHBondContact O-CB 3.39Å; D88-K92 PolarHBondContact O-N 3.25Å
89	E	61	Low	55.1	Low	155 Å²	155	101.8 Å²	101.8	72%	0.724	53%	0.533	S	S	*	.	H	α-helix	trans	-69	-42.8	176.8	-75.2	163.3	153.9	0	0	111.6	S87 Q91 K92 L93	S87-E89 PolarHBondContact O-N 3.39Å; S87-E89 VanDerWaalsContact O-N 3.13Å; E89-Q91 VanDerWaalsContact C-N 3.35Å; E89-K92 PolarHBondContact O-N 3.32Å; E89-L93 WeakPolarHBondContact O-CB 3.38Å; E89-L93 PolarHBondContact O-N 2.72Å
90	T	57.7	Low	55.3	Low	60 Å²	60	106 Å²	106	37%	0.368	54%	0.544	S	S	.	.	H	α-helix	trans	-65.4	-39.7	176.9	-33	0	0	0	0	111.1	F86 S87 L93 L94	F86-T90 HydrophobicContact CD1-CG2 4.25Å; S87-T90 WeakPolarHBondContact O-CB 3.33Å; S87-T90 PolarHBondContact O-N 2.78Å; S87-T90 PolarHBondContact OG-OG1 3.33Å; S87-T90 VanDerWaalsContact OG-OG1 3.11Å; T90-L93 PolarHBondContact O-N 2.85Å; T90-L94 HydrophobicContact CG2-CD1 4.33Å; T90-L94 VanDerWaalsContact O-CB 3.28Å; T90-L94 WeakPolarHBondContact O-CB 3.21Å; T90-L94 WeakPolarHBondContact O-CD1 3.01Å; T90-L94 VanDerWaalsContact O-CG 3.24Å; T90-L94 WeakPolarHBondContact O-CG 3.09Å; T90-L94 PolarHBondContact O-N 3.26Å
91	Q	55.8	Low	55.3	Low	57 Å²	57	107.9 Å²	107.9	27%	0.266	55%	0.551	S	S	.	*	H	α-helix	trans	-64.2	-39.6	175.2	-72.1	-173.4	0.3	0	0	112.6	L83 F86 S87 E89 L94 K95	L83-Q91 HydrophobicContact CD2-CG 4.28Å; L83-Q91 PolarHBondContact O-NE2 3.46Å; F86-Q91 HydrophobicContact CB-CG 4.36Å; S87-Q91 PolarHBondContact O-N 2.67Å; E89-Q91 VanDerWaalsContact C-N 3.35Å; Q91-L94 PolarHBondContact O-N 3.27Å; Q91-K95 WeakPolarHBondContact O-CB 3.36Å; Q91-K95 PolarHBondContact O-N 3.41Å
92	K	62.1	Low	55.6	Low	158 Å²	158	104.5 Å²	104.5	69%	0.687	54%	0.54	S	S	*	.	H	α-helix	trans	-67.5	-42.4	179.2	-155.9	175.7	-175.5	-178.2	0	111.4	D88 E89 K95 E96	D88-K92 WeakPolarHBondContact O-CB 3.39Å; D88-K92 PolarHBondContact O-N 3.25Å; E89-K92 PolarHBondContact O-N 3.32Å; K92-K95 PolarHBondContact O-N 3.39Å; K92-E96 PolarHBondContact O-N 3.19Å
93	L	56.9	Low	55.7	Low	107 Å²	107	109.5 Å²	109.5	56%	0.56	56%	0.559	S	S	*	*	H	α-helix	trans	-67.6	-38.6	177.2	-140.5	142.2	0	0	0	111.5	E89 T90 E96 L97	E89-L93 WeakPolarHBondContact O-CB 3.38Å; E89-L93 PolarHBondContact O-N 2.72Å; T90-L93 PolarHBondContact O-N 2.85Å; L93-E96 PolarHBondContact O-N 3.1Å; L93-L97 HydrophobicContact CD2-CD1 3.71Å; L93-L97 HydrophobicContact CD2-CG 4.37Å; L93-L97 WeakPolarHBondContact O-CB 3.25Å; L93-L97 WeakPolarHBondContact O-CG 3.46Å; L93-L97 PolarHBondContact O-N 2.97Å
94	L	52.4	Low	56	Low	41 Å²	41	113.6 Å²	113.6	22%	0.215	58%	0.576	C	S	.	*	H	α-helix	trans	-63.5	-42.7	172.4	-81.8	162.6	0	0	0	112.3	T90 Q91 E96 L97 T98	T90-L94 HydrophobicContact CG2-CD1 4.33Å; T90-L94 VanDerWaalsContact O-CB 3.28Å; T90-L94 WeakPolarHBondContact O-CB 3.21Å; T90-L94 WeakPolarHBondContact O-CD1 3.01Å; T90-L94 VanDerWaalsContact O-CG 3.24Å; T90-L94 WeakPolarHBondContact O-CG 3.09Å; T90-L94 PolarHBondContact O-N 3.26Å; Q91-L94 PolarHBondContact O-N 3.27Å; L94-E96 VanDerWaalsContact C-N 3.33Å; L94-E96 PolarHBondContact O-N 2.87Å; L94-L97 PolarHBondContact O-N 2.89Å; L94-T98 WeakPolarHBondContact O-CB 3.2Å; L94-T98 WeakPolarHBondContact O-CG2 3.25Å; L94-T98 PolarHBondContact O-N 2.99Å; L94-T98 PolarHBondContact O-OG1 2.82Å
95	K	54.5	Low	56.3	Low	147 Å²	147	111.5 Å²	111.5	64%	0.639	57%	0.568	S	S	*	*	H	α-helix	trans	-63.1	-37.8	175	-111.4	176.5	177.9	173	0	112.2	Q91 K92 T98 N99	Q91-K95 WeakPolarHBondContact O-CB 3.36Å; Q91-K95 PolarHBondContact O-N 3.41Å; K92-K95 PolarHBondContact O-N 3.39Å; K95-T98 WeakPolarHBondContact CA-OG1 3.29Å; K95-T98 PolarHBondContact O-OG1 2.81Å; K95-N99 WeakPolarHBondContact O-CB 3.09Å; K95-N99 PolarHBondContact O-N 2.91Å; K95-N99 PolarHBondContact O-ND2 2.64Å
96	E	57.7	Low	56.8	Low	132 Å²	132	111.3 Å²	111.3	62%	0.617	57%	0.565	S	S	*	*	H	α-helix	trans	-69.7	-39.2	174.8	-81.8	-171.7	152.2	0	0	113.1	K92 L93 L94 K100	K92-E96 PolarHBondContact O-N 3.19Å; L93-E96 PolarHBondContact O-N 3.1Å; L94-E96 VanDerWaalsContact C-N 3.33Å; L94-E96 PolarHBondContact O-N 2.87Å; E96-K100 PolarHBondContact O-N 3.38Å
97	L	52.4	Low	57.3	Low	75 Å²	75	109.8 Å²	109.8	39%	0.393	56%	0.561	S	S	.	*	H	α-helix	trans	-72.2	-29.9	178.1	-73.8	167.5	0	0	0	113.3	L66 L93 L94	L66-L97 HydrophobicContact CD1-CD2 4.14Å; L93-L97 HydrophobicContact CD2-CD1 3.71Å; L93-L97 HydrophobicContact CD2-CG 4.37Å; L93-L97 WeakPolarHBondContact O-CB 3.25Å; L93-L97 WeakPolarHBondContact O-CG 3.46Å; L93-L97 PolarHBondContact O-N 2.97Å; L94-L97 PolarHBondContact O-N 2.89Å
98	T	51.7	Low	58	Low	62 Å²	62	108.4 Å²	108.4	38%	0.38	55%	0.548	S	S	.	.	H	α-helix	trans	-85.5	-32.7	177.6	48.7	0	0	0	0	113.1	L94 K95	L94-T98 WeakPolarHBondContact O-CB 3.2Å; L94-T98 WeakPolarHBondContact O-CG2 3.25Å; L94-T98 PolarHBondContact O-N 2.99Å; L94-T98 PolarHBondContact O-OG1 2.82Å; K95-T98 WeakPolarHBondContact CA-OG1 3.29Å; K95-T98 PolarHBondContact O-OG1 2.81Å
99	N	51.8	Low	58.8	Low	136 Å²	136	104.2 Å²	104.2	73%	0.727	52%	0.523	S	S	*	.	H	α-helix	trans	-79.1	-18.3	177.7	-85	-24.1	0	0	0	114.6	K95 K101	K95-N99 WeakPolarHBondContact O-CB 3.09Å; K95-N99 PolarHBondContact O-N 2.91Å; K95-N99 PolarHBondContact O-ND2 2.64Å; N99-K101 PolarHBondContact O-N 3.37Å
100	K	52.7	Low	59.7	Low	154 Å²	154	101.3 Å²	101.3	67%	0.67	51%	0.509	S	S	*	.	S	Bend	trans	-71.8	112.1	163.8	-74.8	-179.6	-179.6	176.4	0	106.9	E96 A102	E96-K100 PolarHBondContact O-N 3.38Å; K100-A102 PolarHBondContact O-N 2.83Å
101	K	50.6	Low	61	Low	214 Å²	214	101.5 Å²	101.5	93%	0.93	51%	0.506	S	S	*	.			trans	-55.7	91.1	164	-82.4	-174.2	177	-179.2	0	107.3	N99 L103	N99-K101 PolarHBondContact O-N 3.37Å; K101-L103 PolarHBondContact O-N 2.66Å
102	A	58	Low	62.4	Low	47 Å²	47	98.8 Å²	98.8	39%	0.388	49%	0.493	S	S	.	.			trans	-68.1	130.9	-175.7	0	0	0	0	0	107.5	R70 K100 Q104	R70-A102 VanDerWaalsContact NH2-CB 3.31Å; K100-A102 PolarHBondContact O-N 2.83Å; A102-Q104 PolarHBondContact O-N 2.62Å
103	L	52.9	Low	63.4	Low	158 Å²	158	94.9 Å²	94.9	83%	0.827	48%	0.484	S	S	*	.			trans	-50.9	128.6	165.8	-72.5	154	0	0	0	107.9	K101 V105	K101-L103 PolarHBondContact O-N 2.66Å; L103-V105 PolarHBondContact O-N 3.37Å; L103-V105 VanDerWaalsContact O-N 3.09Å
104	Q	56.6	Low	64.7	Low	163 Å²	163	91.9 Å²	91.9	76%	0.762	47%	0.467	S	S	*	.			trans	-71.3	104.1	166.4	-76.2	-172.7	-17.5	0	0	107.1	A102	A102-Q104 PolarHBondContact O-N 2.62Å
105	V	58.7	Low	66.1	Low	78 Å²	78	90.1 Å²	90.1	47%	0.473	46%	0.458	S	S	.	.			trans	-78.4	128.5	176.6	-174.5	0	0	0	0	107.6	L103 N107 H110	L103-V105 PolarHBondContact O-N 3.37Å; L103-V105 VanDerWaalsContact O-N 3.09Å; V105-N107 PolarHBondContact O-N 2.77Å; V105-H110 PolarHBondContact O-CE1 3.32Å; V105-H110 VanDerWaalsContact O-CE1 3.26Å
106	P	65.8	Low	67	Low	103 Å²	103	85.9 Å²	85.9	67%	0.669	44%	0.442	S	S	*	.			trans	-52.3	136.9	173.2	-25.7	34.4	0	0	0	110.7
107	N	70.6	Confident	67.8	Low	63 Å²	63	86.2 Å²	86.2	34%	0.337	45%	0.448	S	S	.	.			trans	-149.2	174.5	176.9	64.3	24.5	0	0	0	109.1	V105 Y109 H110	V105-N107 PolarHBondContact O-N 2.77Å; N107-Y109 PolarHBondContact O-N 3.27Å; N107-Y109 WeakPolarHBondContact OD1-CA 3.4Å; N107-Y109 VanDerWaalsContact OD1-CB 3.31Å; N107-Y109 WeakPolarHBondContact OD1-CB 3.06Å; N107-Y109 PolarHBondContact OD1-N 3.35Å; N107-H110 PolarHBondContact N-ND1 3.04Å; N107-H110 WeakPolarHBondContact O-CB 3.37Å; N107-H110 PolarHBondContact O-N 3.17Å; N107-H110 PolarHBondContact OD1-N 2.95Å; N107-H110 PolarHBondContact OD1-ND1 3.48Å
108	I	77.9	Confident	68.9	Low	33 Å²	33	86.4 Å²	86.4	17%	0.169	45%	0.449	C	S	.	.	H	α-helix	trans	-52.4	-33.8	179.9	-168.6	171.4	0	0	0	113.2	H110 H111 L112 L115 L122 M247 F313	I108-H110 VanDerWaalsContact C-N 3.25Å; I108-H110 PolarHBondContact O-N 3.43Å; I108-H111 PolarHBondContact O-N 2.94Å; I108-H111 VanDerWaalsContact O-N 3.12Å; I108-L112 HydrophobicContact CD1-CD1 4.47Å; I108-L112 HydrophobicContact CG1-CD1 4.19Å; I108-L112 PolarHBondContact O-N 3.45Å; I108-L115 HydrophobicContact CD1-CD1 3.87Å; I108-L115 HydrophobicContact CG1-CD1 3.88Å; I108-L122 HydrophobicContact CD1-CD1 4.3Å; I108-L122 HydrophobicContact CD1-CD2 3.84Å; I108-L122 HydrophobicContact CG2-CD1 4.27Å; I108-M247 HydrophobicContact CD1-CE 4.27Å; I108-M247 HydrophobicContact CD1-SD 3.97Å; I108-F313 HydrophobicContact CD1-CD2 4.23Å; I108-F313 HydrophobicContact CD1-CE2 3.37Å; I108-F313 HydrophobicContact CD1-CZ 3.65Å; I108-F313 HydrophobicContact CG1-CD2 3.96Å; I108-F313 HydrophobicContact CG1-CE2 3.61Å; I108-F313 HydrophobicContact CG1-CZ 4.15Å
109	Y	76.9	Confident	69.7	Low	45 Å²	45	92.2 Å²	92.2	18%	0.176	47%	0.472	C	S	.	.	H	α-helix	trans	-70.5	-17.5	-179.1	-53.2	-70.2	0	0	0	113.8	H64 N107 L112 P113 L115 L116	H64-Y109 AromaticContact CE1-CE2 3.83Å; H64-Y109 AromaticContact CE1-CZ 3.83Å; H64-Y109 PolarHBondContact CE1-OH 2.87Å; H64-Y109 VanDerWaalsContact CE1-OH 3.28Å; H64-Y109 AromaticContact ND1-CE2 3.62Å; N107-Y109 PolarHBondContact O-N 3.27Å; N107-Y109 WeakPolarHBondContact OD1-CA 3.4Å; N107-Y109 VanDerWaalsContact OD1-CB 3.31Å; N107-Y109 WeakPolarHBondContact OD1-CB 3.06Å; N107-Y109 PolarHBondContact OD1-N 3.35Å; Y109-L112 CarbonylContact O-C 3.6Å; Y109-P113 WeakPolarHBondContact O-CA 3.15Å; Y109-P113 WeakPolarHBondContact O-CB 3.17Å; Y109-L115 HydrophobicContact CD1-CB 3.83Å; Y109-L115 HydrophobicContact CE1-CB 3.79Å; Y109-L116 HydrophobicContact CD1-CD1 4.44Å; Y109-L116 HydrophobicContact CD1-CD2 3.4Å; Y109-L116 VanDerWaalsContact CD1-CD2 3.4Å; Y109-L116 HydrophobicContact CD1-CG 3.51Å; Y109-L116 HydrophobicContact CD2-CD2 4.05Å; Y109-L116 HydrophobicContact CE1-CD2 3.74Å; Y109-L116 HydrophobicContact CE1-CG 4.18Å; Y109-L116 HydrophobicContact CE2-CD2 4.36Å; Y109-L116 HydrophobicContact CG-CD1 4.37Å; Y109-L116 HydrophobicContact CG-CD2 3.55Å; Y109-L116 HydrophobicContact CG-CG 3.84Å
110	H	79.6	Confident	70.8	Confident	94 Å²	94	86.7 Å²	86.7	44%	0.435	45%	0.448	S	S	.	.	H	α-helix	trans	-70.9	-36.3	170.8	-71.1	74.5	0	0	0	111.4	V105 N107 I108	V105-H110 PolarHBondContact O-CE1 3.32Å; V105-H110 VanDerWaalsContact O-CE1 3.26Å; N107-H110 PolarHBondContact N-ND1 3.04Å; N107-H110 WeakPolarHBondContact O-CB 3.37Å; N107-H110 PolarHBondContact O-N 3.17Å; N107-H110 PolarHBondContact OD1-N 2.95Å; N107-H110 PolarHBondContact OD1-ND1 3.48Å; I108-H110 VanDerWaalsContact C-N 3.25Å; I108-H110 PolarHBondContact O-N 3.43Å
111	H	85.2	Confident	72.3	Confident	64 Å²	64	79.5 Å²	79.5	30%	0.296	42%	0.416	S	S	.	.	H	α-helix	trans	-86.8	-32.1	179.5	-59	-59.3	0	0	0	112.3	I108 F313	I108-H111 PolarHBondContact O-N 2.94Å; I108-H111 VanDerWaalsContact O-N 3.12Å; H111-F313 HydrophobicContact CB-CB 3.98Å
112	L	86.3	Confident	74	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	39%	0.388	C	S	.	.			trans	-130.8	69.2	-176.7	-61.4	172.2	0	0	0	110	I108 Y109 H114 L115 P216 L240 F313 Y316	I108-L112 HydrophobicContact CD1-CD1 4.47Å; I108-L112 HydrophobicContact CG1-CD1 4.19Å; I108-L112 PolarHBondContact O-N 3.45Å; Y109-L112 CarbonylContact O-C 3.6Å; L112-H114 PolarHBondContact O-N 3.41Å; L112-L115 HydrophobicContact CB-CD1 3.52Å; L112-L115 HydrophobicContact CB-CG 3.77Å; L112-L115 HydrophobicContact CD1-CD1 3.95Å; L112-L115 HydrophobicContact CG-CD1 4.4Å; L112-L115 WeakPolarHBondContact O-CB 3.27Å; L112-L115 VanDerWaalsContact O-CG 3.3Å; L112-L115 WeakPolarHBondContact O-CG 3.28Å; L112-L115 PolarHBondContact O-N 2.77Å; L112-P216 HydrophobicContact CD2-CG 4.29Å; L112-L240 HydrophobicContact CD1-CD2 4.18Å; L112-L240 HydrophobicContact CD2-CD2 4.21Å; L112-F313 HydrophobicContact CD1-CD1 3.83Å; L112-F313 HydrophobicContact CD1-CE1 3.62Å; L112-F313 HydrophobicContact CD1-CG 4.5Å; L112-F313 HydrophobicContact CD1-CZ 4.11Å; L112-Y316 HydrophobicContact CD2-CE1 3.97Å; L112-Y316 HydrophobicContact CD2-CE2 4.33Å; L112-Y316 WeakPolarHBondContact CD2-OH 3.3Å
113	P	82.5	Confident	75.6	Confident	77 Å²	77	76.4 Å²	76.4	50%	0.5	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-65	-24	-174.4	25.2	-34.9	0	0	0	113.4	Y109 L115 L116	Y109-P113 WeakPolarHBondContact O-CA 3.15Å; Y109-P113 WeakPolarHBondContact O-CB 3.17Å; P113-L115 PolarHBondContact O-N 3.33Å; P113-L116 VanDerWaalsContact O-CB 3.3Å; P113-L116 WeakPolarHBondContact O-CB 3.48Å; P113-L116 PolarHBondContact O-N 3.01Å; P113-L116 VanDerWaalsContact O-N 3.09Å
114	H	84.3	Confident	77.6	Confident	44 Å²	44	70.4 Å²	70.4	20%	0.204	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-64.1	-20.9	177.4	66.1	-75.3	0	0	0	113.2	L112 L116 N117 Y214	L112-H114 PolarHBondContact O-N 3.41Å; H114-L116 PolarHBondContact O-N 3.03Å; H114-N117 WeakPolarHBondContact O-CB 3.39Å; H114-N117 PolarHBondContact O-N 3Å; H114-N117 VanDerWaalsContact O-N 3.09Å; H114-Y214 PolarHBondContact NE2-O 2.8Å
115	L	81.4	Confident	79.4	Confident	4 Å²	4	65.1 Å²	65.1	2%	0.021	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-63.8	-22	174.7	-57.1	174.2	0	0	0	112	I108 Y109 L112 P113 N117 N118 L122 Y214	I108-L115 HydrophobicContact CD1-CD1 3.87Å; I108-L115 HydrophobicContact CG1-CD1 3.88Å; Y109-L115 HydrophobicContact CD1-CB 3.83Å; Y109-L115 HydrophobicContact CE1-CB 3.79Å; L112-L115 HydrophobicContact CB-CD1 3.52Å; L112-L115 HydrophobicContact CB-CG 3.77Å; L112-L115 HydrophobicContact CD1-CD1 3.95Å; L112-L115 HydrophobicContact CG-CD1 4.4Å; L112-L115 WeakPolarHBondContact O-CB 3.27Å; L112-L115 VanDerWaalsContact O-CG 3.3Å; L112-L115 WeakPolarHBondContact O-CG 3.28Å; L112-L115 PolarHBondContact O-N 2.77Å; P113-L115 PolarHBondContact O-N 3.33Å; L115-N117 PolarHBondContact O-N 3.35Å; L115-N118 PolarHBondContact O-N 3.01Å; L115-L122 HydrophobicContact CD1-CD2 3.99Å; L115-L122 HydrophobicContact CD1-CG 4.47Å; L115-Y214 HydrophobicContact CD2-CD2 4.01Å; L115-Y214 WeakPolarHBondContact CD2-O 3.27Å
116	L	73.2	Confident	81.2	Confident	57 Å²	57	62 Å²	62	30%	0.298	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-70.9	-14	176.1	-68.2	166.3	0	0	0	113.2	Y109 P113 H114 N118	Y109-L116 HydrophobicContact CD1-CD1 4.44Å; Y109-L116 HydrophobicContact CD1-CD2 3.4Å; Y109-L116 VanDerWaalsContact CD1-CD2 3.4Å; Y109-L116 HydrophobicContact CD1-CG 3.51Å; Y109-L116 HydrophobicContact CD2-CD2 4.05Å; Y109-L116 HydrophobicContact CE1-CD2 3.74Å; Y109-L116 HydrophobicContact CE1-CG 4.18Å; Y109-L116 HydrophobicContact CE2-CD2 4.36Å; Y109-L116 HydrophobicContact CG-CD1 4.37Å; Y109-L116 HydrophobicContact CG-CD2 3.55Å; Y109-L116 HydrophobicContact CG-CG 3.84Å; P113-L116 VanDerWaalsContact O-CB 3.3Å; P113-L116 WeakPolarHBondContact O-CB 3.48Å; P113-L116 PolarHBondContact O-N 3.01Å; P113-L116 VanDerWaalsContact O-N 3.09Å; H114-L116 PolarHBondContact O-N 3.03Å; L116-N118 VanDerWaalsContact C-N 3.3Å
117	N	74.3	Confident	82.7	Confident	140 Å²	140	62.1 Å²	62.1	75%	0.749	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-84.3	-9.1	-178.4	-59.1	-18.8	0	0	0	112.2	H114 L115	H114-N117 WeakPolarHBondContact O-CB 3.39Å; H114-N117 PolarHBondContact O-N 3Å; H114-N117 VanDerWaalsContact O-N 3.09Å; L115-N117 PolarHBondContact O-N 3.35Å
118	N	76.1	Confident	83.9	Confident	79 Å²	79	60.9 Å²	60.9	42%	0.422	32%	0.321	S	S	.	.			trans	-149.1	117	-178.8	-175.4	-32.4	0	0	0	110.6	L115 L116 G120 S121 A213	L115-N118 PolarHBondContact O-N 3.01Å; L116-N118 VanDerWaalsContact C-N 3.3Å; N118-G120 PolarHBondContact O-N 3.13Å; N118-G120 PolarHBondContact OD1-N 3.29Å; N118-S121 WeakPolarHBondContact CB-OG 3.32Å; N118-S121 WeakPolarHBondContact O-CB 3.44Å; N118-S121 PolarHBondContact O-N 3.11Å; N118-S121 VanDerWaalsContact O-N 3.09Å; N118-S121 PolarHBondContact O-OG 2.76Å; N118-A213 HydrophobicContact CB-CB 3.95Å
119	E	68.5	Low	84.5	Confident	183 Å²	183	61 Å²	61	86%	0.855	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-26	-177.3	-62.6	-173.9	158.4	0	0	113.2
120	G	75.6	Confident	85.2	Confident	21 Å²	21	64.6 Å²	64.6	22%	0.216	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	1.5	178.1	0	0	0	0	0	114.7	N118 L122 Q123	N118-G120 PolarHBondContact O-N 3.13Å; N118-G120 PolarHBondContact OD1-N 3.29Å; G120-L122 PolarHBondContact O-N 3.37Å; G120-Q123 PolarHBondContact O-N 2.87Å
121	S	82.6	Confident	85.7	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.014	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-19	-172.8	-81.6	0	0	0	0	115.5	N118 P211 A213 Y214	N118-S121 WeakPolarHBondContact CB-OG 3.32Å; N118-S121 WeakPolarHBondContact O-CB 3.44Å; N118-S121 PolarHBondContact O-N 3.11Å; N118-S121 VanDerWaalsContact O-N 3.09Å; N118-S121 PolarHBondContact O-OG 2.76Å; S121-P211 WeakPolarHBondContact O-CG 3.42Å; S121-A213 WeakPolarHBondContact OG-CB 3.5Å; S121-A213 PolarHBondContact OG-O 2.87Å; S121-Y214 WeakPolarHBondContact O-CB 3.42Å
122	L	87.3	Confident	86	Confident	65 Å²	65	60.6 Å²	60.6	34%	0.34	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	3.9	177.7	-65.1	178	0	0	0	113.3	I108 L115 G120 Y214 M247	I108-L122 HydrophobicContact CD1-CD1 4.3Å; I108-L122 HydrophobicContact CD1-CD2 3.84Å; I108-L122 HydrophobicContact CG2-CD1 4.27Å; L115-L122 HydrophobicContact CD1-CD2 3.99Å; L115-L122 HydrophobicContact CD1-CG 4.47Å; G120-L122 PolarHBondContact O-N 3.37Å; L122-Y214 HydrophobicContact CD2-CD2 4.08Å; L122-Y214 HydrophobicContact CD2-CE2 4.11Å; L122-M247 HydrophobicContact CD2-CE 4.35Å
123	Q	90.6	Very high	86.3	Confident	132 Å²	132	64.8 Å²	64.8	62%	0.617	37%	0.366	S	S	*	.	S	Bend	trans	-98.1	137.1	175.1	-64.7	-179.2	-1.1	0	0	109.3	G120 A125 P211	G120-Q123 PolarHBondContact O-N 2.87Å; Q123-A125 PolarHBondContact O-N 2.81Å; Q123-P211 WeakPolarHBondContact O-CD 3.33Å; Q123-P211 WeakPolarHBondContact O-CG 3.36Å
124	P	95.4	Very high	86.5	Confident	31 Å²	31	64.6 Å²	64.6	20%	0.201	38%	0.378	C	S	.	.			trans	-57	134.9	175.2	-22.4	32.5	0	0	0	111.4	V126 Q127 I208 S209 F244 Y248	P124-V126 WeakPolarHBondContact CB-O 3.48Å; P124-Q127 HydrophobicContact CB-CB 4.18Å; P124-I208 HydrophobicContact CB-CB 4.32Å; P124-I208 HydrophobicContact CB-CG2 4.36Å; P124-I208 HydrophobicContact CG-CG2 4.34Å; P124-S209 CarbonylContact C-O 3.56Å; P124-S209 VanDerWaalsContact CA-O 3.23Å; P124-S209 WeakPolarHBondContact CA-O 2.91Å; P124-F244 HydrophobicContact CG-CE1 4.26Å; P124-F244 HydrophobicContact CG-CZ 4.26Å; P124-Y248 HydrophobicContact CG-CD2 4.15Å; P124-Y248 HydrophobicContact CG-CE2 4.2Å
125	A	95.7	Very high	86.9	Confident	52 Å²	52	62.7 Å²	62.7	43%	0.43	37%	0.369	S	S	.	.	S	Bend	trans	-73.3	-34.7	174.9	0	0	0	0	0	111.7	Q123 L182 S209 P211	Q123-A125 PolarHBondContact O-N 2.81Å; A125-L182 HydrophobicContact CB-CD2 4.29Å; A125-S209 PolarHBondContact N-O 2.63Å; A125-P211 HydrophobicContact CB-CB 4.17Å
126	V	96.3	Very high	87.4	Confident	12 Å²	12	64.1 Å²	64.1	7%	0.073	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.5	168.3	178.3	0	0	0	0	107.3	P124 V128 L182 V185 V189 I208 S209	P124-V126 WeakPolarHBondContact CB-O 3.48Å; V126-V128 HydrophobicContact CG1-CG2 4.06Å; V126-L182 HydrophobicContact CG2-CD2 4.06Å; V126-V185 HydrophobicContact CB-CG1 3.91Å; V126-V185 HydrophobicContact CG1-CG1 4.18Å; V126-V185 HydrophobicContact CG2-CG1 3.71Å; V126-V189 HydrophobicContact CG1-CG2 4.1Å; V126-I208 CarbonylContact O-C 3.59Å; V126-I208 VanDerWaalsContact O-CA 3.23Å; V126-I208 WeakPolarHBondContact O-CA 3.36Å; V126-S209 WeakPolarHBondContact CB-OG 3.29Å; V126-S209 PolarHBondContact N-OG 3.3Å; V126-S209 PolarHBondContact O-N 2.81Å
127	Q	96.3	Very high	88.6	Confident	107 Å²	107	61.4 Å²	61.4	50%	0.5	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	115.9	173.8	-176.8	175.2	-4.4	0	0	108.6	P124 V207 I208 Y248	P124-Q127 HydrophobicContact CB-CB 4.18Å; Q127-V207 CarbonylContact C-O 3.49Å; Q127-V207 WeakPolarHBondContact CA-O 3.33Å; Q127-I208 HydrophobicContact CB-CG2 4.47Å; Q127-I208 HydrophobicContact CG-CG2 4.15Å; Q127-Y248 PolarHBondContact NE2-OH 3.21Å; Q127-Y248 VanDerWaalsContact NE2-OH 3.11Å
128	V	95.9	Very high	89.7	Confident	36 Å²	36	54.8 Å²	54.8	22%	0.218	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133	178.7	-176.9	0	0	0	0	108.8	V126 V189 L200 E206 V207	V126-V128 HydrophobicContact CG1-CG2 4.06Å; V128-V189 HydrophobicContact CG2-CG1 3.9Å; V128-V189 HydrophobicContact CG2-CG2 4.27Å; V128-L200 HydrophobicContact CG1-CD2 4.3Å; V128-E206 CarbonylContact O-C 3.57Å; V128-E206 VanDerWaalsContact O-CA 3.28Å; V128-E206 WeakPolarHBondContact O-CA 3.21Å; V128-V207 HydrophobicContact CB-CB 4.31Å; V128-V207 PolarHBondContact N-O 2.88Å; V128-V207 PolarHBondContact O-N 2.86Å
129	G	91.1	Very high	90.8	Very high	35 Å²	35	51 Å²	51	36%	0.361	31%	0.308	S	S	.	.	S	Bend	trans	127.1	174.8	-178.2	0	0	0	0	0	112.3
130	L	90.9	Very high	92.2	Very high	121 Å²	121	42.3 Å²	42.3	63%	0.634	27%	0.267	S	S	*	.			trans	-88.1	0.6	-172.5	-63.8	-175	0	0	0	115	R132 N201	L130-R132 PolarHBondContact O-N 2.97Å; L130-N201 VanDerWaalsContact CD1-O 3.25Å; L130-N201 WeakPolarHBondContact CD1-O 3.36Å
131	G	90.3	Very high	93.3	Very high	31 Å²	31	41.3 Å²	41.3	32%	0.32	26%	0.257	S	S	.	.			trans	64.4	38.2	178.8	0	0	0	0	0	113	E206	G131-E206 WeakPolarHBondContact CA-OE1 3.41Å; G131-E206 PolarHBondContact N-OE1 2.82Å
132	R	91.9	Very high	94	Very high	44 Å²	44	42 Å²	42	17%	0.166	26%	0.261	C	S	.	.			trans	-63.8	142.7	-174.4	-176.2	167.5	66.4	-179	3.1	110.9	L130 V135 K168 L169 C171 V172 G203 E206 K252	L130-R132 PolarHBondContact O-N 2.97Å; R132-V135 HydrophobicContact CG-CG1 4.25Å; R132-K168 PolarHBondContact NH1-O 3.39Å; R132-K168 PolarHBondContact NH2-O 3.03Å; R132-L169 PolarHBondContact NH1-O 3.37Å; R132-C171 PolarHBondContact NH2-O 2.97Å; R132-V172 HydrophobicContact CB-CG2 3.88Å; R132-V172 HydrophobicContact CG-CG2 4.12Å; R132-G203 PolarHBondContact NE-O 3.28Å; R132-G203 PolarHBondContact NH2-O 2.83Å; R132-E206 PolarHBondContact N-OE1 2.82Å; R132-K252 PolarHBondContact O-NZ 3.16Å
133	T	92.5	Very high	94.4	Very high	88 Å²	88	39 Å²	39	54%	0.54	25%	0.246	S	C	.	.			trans	-137.1	169.4	178.5	61.2	0	0	0	0	110.3	K252	T133-K252 CarbonylContact C-O 3.56Å; T133-K252 WeakPolarHBondContact CA-O 3.41Å; T133-K252 HydrophobicContact CG2-CG 4.22Å
134	G	87.4	Confident	94.5	Very high	73 Å²	73	34.2 Å²	34.2	75%	0.753	23%	0.226	S	C	*	.	S	Bend	trans	79	20.2	177.7	0	0	0	0	0	114.2	K252	G134-K252 PolarHBondContact N-O 3.25Å
135	V	92.6	Very high	94.3	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.024	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	157.7	176.4	-66.1	0	0	0	0	111.7	R132 M137 V138 V172 K252 G253 V254	R132-V135 HydrophobicContact CG-CG1 4.25Å; V135-M137 WeakPolarHBondContact CG2-O 3.3Å; V135-V138 HydrophobicContact CG2-CG2 3.89Å; V135-V172 HydrophobicContact CG1-CG2 3.96Å; V135-V172 HydrophobicContact CG2-CB 4.28Å; V135-V172 HydrophobicContact CG2-CG2 3.9Å; V135-K252 WeakPolarHBondContact CG2-O 3.28Å; V135-K252 PolarHBondContact N-O 2.74Å; V135-G253 CarbonylContact O-C 3.54Å; V135-G253 WeakPolarHBondContact O-CA 3.47Å; V135-V254 PolarHBondContact O-N 3.42Å; V135-V254 VanDerWaalsContact O-N 3.08Å
136	T	91.4	Very high	93.8	Very high	33 Å²	33	37 Å²	37	20%	0.202	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	-38.8	173.5	-61.7	0	0	0	0	111.4	D170 V254 Y255 R274	T136-D170 WeakPolarHBondContact CB-OD1 3.26Å; T136-D170 VanDerWaalsContact CB-OD2 3.29Å; T136-D170 WeakPolarHBondContact CB-OD2 3.37Å; T136-D170 PolarHBondContact N-O 2.94Å; T136-D170 PolarHBondContact N-OD1 2.93Å; T136-D170 PolarHBondContact OG1-OD1 3.03Å; T136-D170 PolarHBondContact OG1-OD2 2.85Å; T136-V254 PolarHBondContact O-N 3.41Å; T136-Y255 HydrophobicContact CG2-CD2 4.02Å; T136-Y255 HydrophobicContact CG2-CE2 4.24Å; T136-Y255 PolarHBondContact O-N 2.98Å; T136-R274 HydrophobicContact CG2-CG 4.2Å
137	M	97	Very high	93.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135	-171.2	-157	177.8	-60.8	0	0	113.3	V135 D170 C171 V172 Y255 V257 F270 M273 R274 M299	V135-M137 WeakPolarHBondContact CG2-O 3.3Å; M137-D170 PolarHBondContact N-O 2.98Å; M137-C171 CarbonylContact O-C 3.57Å; M137-C171 VanDerWaalsContact O-CA 3.29Å; M137-C171 WeakPolarHBondContact O-CA 3.47Å; M137-V172 PolarHBondContact O-N 2.72Å; M137-Y255 WeakPolarHBondContact CA-O 3.25Å; M137-V257 HydrophobicContact CG-CG2 3.75Å; M137-V257 HydrophobicContact SD-CG2 3.87Å; M137-F270 HydrophobicContact CB-CD2 4.48Å; M137-F270 HydrophobicContact CB-CE2 3.65Å; M137-F270 HydrophobicContact CB-CZ 4.18Å; M137-F270 HydrophobicContact CE-CD2 3.94Å; M137-F270 HydrophobicContact CE-CE2 3.88Å; M137-F270 HydrophobicContact CE-CG 4.34Å; M137-F270 HydrophobicContact CE-CZ 4.23Å; M137-F270 HydrophobicContact CG-CE2 4.4Å; M137-F270 HydrophobicContact SD-CD2 3.85Å; M137-F270 HydrophobicContact SD-CE2 3.93Å; M137-M273 HydrophobicContact CE-CB 4.08Å; M137-M273 HydrophobicContact CE-CE 4.03Å; M137-M273 HydrophobicContact SD-CE 3.36Å; M137-M273 WeakPolarHBondContact SD-CE 3.33Å; M137-R274 HydrophobicContact CE-CB 4.28Å; M137-M299 HydrophobicContact CE-CE 3.8Å; M137-M299 HydrophobicContact CG-CE 4.41Å; M137-M299 HydrophobicContact SD-CE 4.06Å
138	V	98.3	Very high	92.3	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	118.2	174.3	-173.5	0	0	0	0	108.3	V135 V172 I174 A249 K252 Y255 Y256 V257	V135-V138 HydrophobicContact CG2-CG2 3.89Å; V138-V172 CarbonylContact C-O 3.57Å; V138-V172 WeakPolarHBondContact CA-O 3.44Å; V138-I174 HydrophobicContact CG1-CD1 3.41Å; V138-I174 VanDerWaalsContact CG1-CD1 3.41Å; V138-I174 HydrophobicContact CG1-CG1 4.04Å; V138-A249 HydrophobicContact CG1-CB 3.9Å; V138-K252 HydrophobicContact CG1-CB 4.49Å; V138-K252 HydrophobicContact CG2-CB 3.68Å; V138-Y255 PolarHBondContact N-O 3.17Å; V138-Y256 HydrophobicContact CB-CD2 4.41Å; V138-Y256 HydrophobicContact CG1-CD2 4.32Å; V138-Y256 CarbonylContact O-C 3.5Å; V138-Y256 WeakPolarHBondContact O-CA 3.48Å; V138-V257 PolarHBondContact O-N 3.5Å
139	M	98.6	Very high	91.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	114.1	178.9	-71.6	-173.8	-85	0	0	110.1	L159 C171 V172 I173 I174 V257 L259 Y269	M139-L159 HydrophobicContact SD-CD2 4.31Å; M139-C171 WeakPolarHBondContact CE-SG 3.42Å; M139-V172 PolarHBondContact N-O 2.98Å; M139-I173 HydrophobicContact CB-CG1 4.29Å; M139-I173 HydrophobicContact CE-CD1 3.96Å; M139-I173 HydrophobicContact CE-CG1 3.61Å; M139-I173 CarbonylContact O-C 3.59Å; M139-I173 WeakPolarHBondContact O-CA 3.33Å; M139-I174 PolarHBondContact O-N 2.96Å; M139-V257 WeakPolarHBondContact CA-O 3.36Å; M139-V257 HydrophobicContact CG-CB 4.27Å; M139-L259 HydrophobicContact CB-CD1 4.06Å; M139-L259 HydrophobicContact CG-CD1 4.11Å; M139-L259 HydrophobicContact SD-CD1 3.85Å; M139-Y269 HydrophobicContact CE-CE2 4.25Å; M139-Y269 WeakPolarHBondContact CE-OH 3.23Å; M139-Y269 HydrophobicContact SD-CE2 3.67Å; M139-Y269 PolarHBondContact SD-OH 3.25Å; M139-Y269 VanDerWaalsContact SD-OH 3.41Å
140	G	98.4	Very high	91.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.5	177.7	0	0	0	0	0	112.1	V257 Q258 L259	G140-V257 PolarHBondContact N-O 2.84Å; G140-Q258 PolarHBondContact O-NE2 3.02Å; G140-L259 PolarHBondContact O-N 2.94Å
141	I	98.4	Very high	91.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	99.7	-179.4	-55.2	174.6	0	0	0	109.1	L152 T155 L156 L159 I173 I174 V175 F176 L259 D261	I141-L152 HydrophobicContact CG2-CD1 4.12Å; I141-T155 HydrophobicContact CD1-CG2 4.42Å; I141-L156 HydrophobicContact CD1-CD2 3.88Å; I141-L159 HydrophobicContact CD1-CD1 3.55Å; I141-I173 HydrophobicContact CD1-CG2 3.57Å; I141-I173 HydrophobicContact CG1-CG2 4.31Å; I141-I174 PolarHBondContact N-O 2.88Å; I141-V175 CarbonylContact O-C 3.6Å; I141-V175 WeakPolarHBondContact O-CA 3.47Å; I141-F176 PolarHBondContact O-N 3Å; I141-L259 HydrophobicContact CG1-CB 4.09Å; I141-L259 HydrophobicContact CG1-CD1 4.42Å; I141-D261 HydrophobicContact CG2-CB 3.77Å
142	P	97.2	Very high	91.9	Very high	16 Å²	16	42.9 Å²	42.9	10%	0.104	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	139.6	171.8	22.7	-13.2	0	0	0	110.5	F176 Y242 L245 L259	P142-F176 CarbonylContact C-O 3.44Å; P142-F176 VanDerWaalsContact CA-O 3.31Å; P142-F176 WeakPolarHBondContact CA-O 3.12Å; P142-F176 HydrophobicContact CB-CD1 4.05Å; P142-Y242 HydrophobicContact CB-CE1 4.35Å; P142-Y242 HydrophobicContact CG-CD1 3.74Å; P142-Y242 HydrophobicContact CG-CE1 3.24Å; P142-L245 HydrophobicContact CB-CD2 4.42Å; P142-L245 HydrophobicContact CG-CD2 4.27Å; P142-L259 WeakPolarHBondContact CD-O 3.29Å
143	T	95.7	Very high	92.1	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.025	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	145.8	175.7	-171.1	0	0	0	0	109.9	L152 V175 F176 V177 G178 D261	T143-L152 HydrophobicContact CG2-CD2 4.14Å; T143-V175 HydrophobicContact CG2-CG1 3.97Å; T143-F176 PolarHBondContact N-O 3.15Å; T143-V177 HydrophobicContact CG2-CB 4.3Å; T143-V177 HydrophobicContact CG2-CG1 4.4Å; T143-V177 HydrophobicContact CG2-CG2 3.96Å; T143-G178 PolarHBondContact O-N 2.87Å; T143-D261 VanDerWaalsContact CB-OD2 3.29Å; T143-D261 WeakPolarHBondContact CB-OD2 3.36Å; T143-D261 PolarHBondContact OG1-OD2 2.82Å
144	V	93.8	Very high	92.1	Very high	31 Å²	31	42 Å²	42	19%	0.188	23%	0.231	C	C	.	.			trans	-135.7	158.1	177.9	-65.1	0	0	0	0	109.6	R146	V144-R146 PolarHBondContact O-N 3.44Å
145	K	90.9	Very high	92.6	Very high	107 Å²	107	38.6 Å²	38.6	47%	0.465	20%	0.196	S	C	.	.			trans	-66.8	105.2	-176.7	-170.1	171.8	-172.4	171.5	0	111	E179 D181 Y184	K145-E179 HydrophobicContact CB-CG 4.15Å; K145-E179 WeakPolarHBondContact CB-OE1 3.32Å; K145-E179 PolarHBondContact N-OE1 2.91Å; K145-D181 IonicContact NZ-OD2 2.81Å; K145-Y184 WeakPolarHBondContact CA-OH 3.46Å; K145-Y184 HydrophobicContact CB-CD1 4.26Å; K145-Y184 HydrophobicContact CB-CE1 3.69Å; K145-Y184 HydrophobicContact CB-CE2 4.23Å; K145-Y184 HydrophobicContact CD-CD1 4.13Å; K145-Y184 HydrophobicContact CD-CD2 3.7Å; K145-Y184 HydrophobicContact CD-CE1 4.23Å; K145-Y184 HydrophobicContact CD-CE2 3.82Å; K145-Y184 HydrophobicContact CD-CG 3.85Å; K145-Y184 HydrophobicContact CG-CD1 4.46Å; K145-Y184 HydrophobicContact CG-CD2 4.12Å; K145-Y184 HydrophobicContact CG-CE1 4.05Å; K145-Y184 HydrophobicContact CG-CE2 3.68Å; K145-Y184 HydrophobicContact CG-CG 4.47Å
146	R	85.6	Confident	92.8	Very high	35 Å²	35	38.4 Å²	38.4	13%	0.132	20%	0.195	C	C	.	.			trans	-86.3	144.4	171	-68.7	-175.1	-179.2	82.3	-9.9	110.6	V144 K149 D261 D262 H365	V144-R146 PolarHBondContact O-N 3.44Å; R146-K149 WeakPolarHBondContact CB-O 3.44Å; R146-K149 VanDerWaalsContact CD-O 3.27Å; R146-K149 WeakPolarHBondContact CD-O 3.28Å; R146-D261 IonicContact CZ-OD1 3.4Å; R146-D261 IonicContact CZ-OD2 2.76Å; R146-D261 IonicContact NH1-OD1 3.45Å; R146-D261 PolarHBondContact NH1-OD1 3.45Å; R146-D261 IonicContact NH1-OD2 3.58Å; R146-D261 PolarHBondContact NH1-OD2 3.04Å; R146-D261 IonicContact NH2-OD1 2.73Å; R146-D261 PolarHBondContact NH2-OD1 3.49Å; R146-D261 IonicContact NH2-OD2 3.83Å; R146-D262 IonicContact CZ-OD2 3.42Å; R146-D262 IonicContact NH2-OD2 3.24Å; R146-D262 PolarHBondContact NH2-OD2 3.2Å; R146-H365 PolarHBondContact NE-O 2.97Å
147	K	80.4	Confident	93.1	Very high	196 Å²	196	41.6 Å²	41.6	85%	0.852	20%	0.203	S	C	*	.	S	Bend	trans	-72	-27.9	177.4	-67.6	-174.4	178.6	-177.2	0	113.9
148	V	80.6	Confident	93.1	Very high	101 Å²	101	42.2 Å²	42.2	61%	0.612	21%	0.207	S	C	*	.	S	Bend	trans	-104.7	-59	-166.2	-176.3	0	0	0	0	112.3	H365	V148-H365 HydrophobicContact CB-CB 4.39Å
149	K	82.9	Confident	93.1	Very high	85 Å²	85	42.1 Å²	42.1	37%	0.37	21%	0.207	S	C	.	.			trans	-147.9	142.8	-175.9	-179.3	178.4	-180	-164.3	0	109.9	R146 Y151 E154	R146-K149 WeakPolarHBondContact CB-O 3.44Å; R146-K149 VanDerWaalsContact CD-O 3.27Å; R146-K149 WeakPolarHBondContact CD-O 3.28Å; K149-Y151 HydrophobicContact CD-CD1 4.22Å; K149-Y151 HydrophobicContact CD-CE1 3.79Å; K149-Y151 HydrophobicContact CG-CE1 4.34Å; K149-E154 WeakPolarHBondContact CE-OE1 3.36Å; K149-E154 IonicContact NZ-OE1 3.7Å; K149-E154 PolarHBondContact NZ-OE1 3.35Å; K149-E154 IonicContact NZ-OE2 3.32Å; K149-E154 PolarHBondContact NZ-OE2 2.98Å
150	S	88.9	Confident	93	Very high	66 Å²	66	42.2 Å²	42.2	46%	0.462	21%	0.207	S	C	.	.			trans	-92.4	136	163.8	-178.7	0	0	0	0	110.1	L152	S150-L152 PolarHBondContact OG-N 3.32Å
151	Y	92.6	Very high	92.9	Very high	12 Å²	12	48 Å²	48	5%	0.047	24%	0.238	C	C	.	.			trans	-103.5	-6.5	177.1	-59.9	-79.3	0	0	0	112.6	K149 S153 E154 T155 D261 D262 L364 H365	K149-Y151 HydrophobicContact CD-CD1 4.22Å; K149-Y151 HydrophobicContact CD-CE1 3.79Å; K149-Y151 HydrophobicContact CG-CE1 4.34Å; Y151-S153 PolarHBondContact O-N 3.36Å; Y151-E154 WeakPolarHBondContact O-CB 3.39Å; Y151-E154 PolarHBondContact O-N 3.23Å; Y151-E154 VanDerWaalsContact O-N 3.09Å; Y151-T155 PolarHBondContact O-N 3.07Å; Y151-T155 PolarHBondContact O-OG1 3.16Å; Y151-D261 CarbonylContact C-O 3.59Å; Y151-D261 VanDerWaalsContact CB-O 3.24Å; Y151-D261 WeakPolarHBondContact CB-O 3.48Å; Y151-D262 HydrophobicContact CD2-CB 3.71Å; Y151-D262 HydrophobicContact CG-CB 3.72Å; Y151-L364 PolarHBondContact OH-N 3.44Å; Y151-L364 VanDerWaalsContact OH-N 3.14Å; Y151-H365 PolarHBondContact OH-N 2.85Å; Y151-H365 VanDerWaalsContact OH-N 3.14Å
152	L	95.8	Very high	92.7	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.026	25%	0.25	C	S	.	.	H	α-helix	trans	-55.3	-50.3	-169.8	178.9	64.4	0	0	0	113.1	I141 T143 S150 E154 T155 L156 V175 V188 L192 D261	I141-L152 HydrophobicContact CG2-CD1 4.12Å; T143-L152 HydrophobicContact CG2-CD2 4.14Å; S150-L152 PolarHBondContact OG-N 3.32Å; L152-E154 VanDerWaalsContact C-N 3.3Å; L152-E154 PolarHBondContact O-N 3.14Å; L152-T155 PolarHBondContact O-N 3.42Å; L152-L156 HydrophobicContact CD1-CD1 4.05Å; L152-L156 HydrophobicContact CD1-CG 4.15Å; L152-L156 HydrophobicContact CG-CD1 3.99Å; L152-L156 HydrophobicContact CG-CG 4.45Å; L152-L156 WeakPolarHBondContact O-CG 3.49Å; L152-L156 PolarHBondContact O-N 3.5Å; L152-V175 HydrophobicContact CD1-CG1 4.02Å; L152-V175 HydrophobicContact CD1-CG2 4.17Å; L152-V175 HydrophobicContact CD2-CG1 4.01Å; L152-V188 HydrophobicContact CD2-CG1 4.08Å; L152-L192 HydrophobicContact CD2-CD1 4.2Å; L152-L192 HydrophobicContact CD2-CD2 4.12Å; L152-L192 HydrophobicContact CD2-CG 4.5Å; L152-L192 HydrophobicContact CG-CD2 4.46Å; L152-D261 HydrophobicContact CD1-CB 4.07Å; L152-D261 PolarHBondContact N-O 3.33Å
153	S	94.8	Very high	92.7	Very high	27 Å²	27	50.5 Å²	50.5	19%	0.189	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-35.6	-179.1	-51.3	0	0	0	0	112.3	Y151 R157	Y151-S153 PolarHBondContact O-N 3.36Å; S153-R157 WeakPolarHBondContact O-CG 3.31Å; S153-R157 PolarHBondContact O-N 3.43Å
154	E	93.5	Very high	92.6	Very high	86 Å²	86	52.4 Å²	52.4	40%	0.402	26%	0.261	S	S	.	.	H	α-helix	trans	-67.4	-43	177	-66.5	173	176	0	0	110.8	K149 Y151 L152 S158	K149-E154 WeakPolarHBondContact CE-OE1 3.36Å; K149-E154 IonicContact NZ-OE1 3.7Å; K149-E154 PolarHBondContact NZ-OE1 3.35Å; K149-E154 IonicContact NZ-OE2 3.32Å; K149-E154 PolarHBondContact NZ-OE2 2.98Å; Y151-E154 WeakPolarHBondContact O-CB 3.39Å; Y151-E154 PolarHBondContact O-N 3.23Å; Y151-E154 VanDerWaalsContact O-N 3.09Å; L152-E154 VanDerWaalsContact C-N 3.3Å; L152-E154 PolarHBondContact O-N 3.14Å; E154-S158 VanDerWaalsContact O-CB 3.32Å; E154-S158 WeakPolarHBondContact O-CB 3.35Å; E154-S158 PolarHBondContact O-N 3.03Å
155	T	96.8	Very high	92.7	Very high	1 Å²	1	56 Å²	56	1%	0.006	29%	0.285	C	S	.	.	H	α-helix	trans	-61.7	-48	175.1	-67	0	0	0	0	111.8	I141 Y151 L152 S158 L159 D261 D262 I263	I141-T155 HydrophobicContact CD1-CG2 4.42Å; Y151-T155 PolarHBondContact O-N 3.07Å; Y151-T155 PolarHBondContact O-OG1 3.16Å; L152-T155 PolarHBondContact O-N 3.42Å; T155-S158 WeakPolarHBondContact O-CB 3.25Å; T155-S158 PolarHBondContact O-N 2.9Å; T155-L159 HydrophobicContact CG2-CD1 3.98Å; T155-L159 WeakPolarHBondContact O-CG 3.43Å; T155-L159 PolarHBondContact O-N 2.83Å; T155-D261 WeakPolarHBondContact CB-O 3.12Å; T155-D261 PolarHBondContact OG1-O 3.21Å; T155-D262 WeakPolarHBondContact OG1-CA 3.31Å; T155-D262 PolarHBondContact OG1-N 2.82Å; T155-I263 HydrophobicContact CG2-CD1 4.5Å; T155-I263 HydrophobicContact CG2-CG1 3.68Å; T155-I263 PolarHBondContact OG1-N 2.85Å; T155-I263 PolarHBondContact OG1-O 3.17Å
156	L	98.2	Very high	92.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.3	-47.2	179.9	-73.8	175	0	0	0	111.9	I141 L152 S158 L159 I160 I173 V175 L192 F196 L205	I141-L156 HydrophobicContact CD1-CD2 3.88Å; L152-L156 HydrophobicContact CD1-CD1 4.05Å; L152-L156 HydrophobicContact CD1-CG 4.15Å; L152-L156 HydrophobicContact CG-CD1 3.99Å; L152-L156 HydrophobicContact CG-CG 4.45Å; L152-L156 WeakPolarHBondContact O-CG 3.49Å; L152-L156 PolarHBondContact O-N 3.5Å; L156-S158 VanDerWaalsContact C-N 3.29Å; L156-S158 PolarHBondContact O-N 2.77Å; L156-L159 PolarHBondContact O-N 3.05Å; L156-I160 HydrophobicContact CB-CD1 4.19Å; L156-I160 WeakPolarHBondContact O-CB 3.49Å; L156-I160 WeakPolarHBondContact O-CD1 3.49Å; L156-I160 VanDerWaalsContact O-CG1 3.3Å; L156-I160 WeakPolarHBondContact O-CG1 3.22Å; L156-I160 PolarHBondContact O-N 3.26Å; L156-I173 HydrophobicContact CD2-CG2 3.89Å; L156-V175 HydrophobicContact CD1-CG2 4.21Å; L156-V175 HydrophobicContact CD2-CG2 4.01Å; L156-L192 HydrophobicContact CD1-CD2 3.47Å; L156-L192 VanDerWaalsContact CD1-CD2 3.47Å; L156-F196 HydrophobicContact CB-CE1 3.93Å; L156-F196 HydrophobicContact CB-CE2 4.03Å; L156-F196 HydrophobicContact CB-CZ 3.51Å; L156-F196 HydrophobicContact CD1-CD2 4.23Å; L156-F196 HydrophobicContact CD1-CE2 3.88Å; L156-F196 HydrophobicContact CD1-CZ 4.23Å; L156-L205 HydrophobicContact CD1-CD2 4.35Å; L156-L205 HydrophobicContact CD2-CD1 3.91Å
157	R	96.9	Very high	93.3	Very high	101 Å²	101	57.6 Å²	57.6	38%	0.381	30%	0.296	S	S	.	.	H	α-helix	trans	-56.6	-46.4	173.4	-72.3	-179	-130.9	126	-1.3	111	S153 L159 I160 D161 E195 F196	S153-R157 WeakPolarHBondContact O-CG 3.31Å; S153-R157 PolarHBondContact O-N 3.43Å; R157-L159 VanDerWaalsContact C-N 3.27Å; R157-L159 PolarHBondContact O-N 3.46Å; R157-I160 PolarHBondContact O-N 3.07Å; R157-D161 WeakPolarHBondContact O-CB 3.3Å; R157-D161 PolarHBondContact O-N 2.71Å; R157-E195 IonicContact CZ-OE2 2.71Å; R157-E195 IonicContact NE-OE2 2.91Å; R157-E195 PolarHBondContact NE-OE2 2.87Å; R157-E195 IonicContact NH2-OE1 3.86Å; R157-E195 IonicContact NH2-OE2 3.8Å; R157-E195 PolarHBondContact NH2-OE2 3.1Å; R157-F196 HydrophobicContact CG-CE1 3.89Å; R157-F196 HydrophobicContact CG-CZ 3.81Å
158	S	96.4	Very high	94.1	Very high	12 Å²	12	51.1 Å²	51.1	8%	0.084	27%	0.268	C	S	.	.	H	α-helix	trans	-58.2	-37.9	179.8	-168.4	0	0	0	0	113.3	E154 T155 L156 K162 V264 A265	E154-S158 VanDerWaalsContact O-CB 3.32Å; E154-S158 WeakPolarHBondContact O-CB 3.35Å; E154-S158 PolarHBondContact O-N 3.03Å; T155-S158 WeakPolarHBondContact O-CB 3.25Å; T155-S158 PolarHBondContact O-N 2.9Å; L156-S158 VanDerWaalsContact C-N 3.29Å; L156-S158 PolarHBondContact O-N 2.77Å; S158-K162 WeakPolarHBondContact O-CD 3.2Å; S158-K162 VanDerWaalsContact O-CG 3.3Å; S158-K162 WeakPolarHBondContact O-CG 3.46Å; S158-K162 PolarHBondContact O-NZ 2.85Å; S158-K162 PolarHBondContact OG-NZ 2.7Å; S158-V264 WeakPolarHBondContact OG-CA 3.06Å; S158-V264 WeakPolarHBondContact OG-CG1 3.45Å; S158-A265 PolarHBondContact OG-N 2.9Å; S158-A265 VanDerWaalsContact OG-N 3.16Å
159	L	98.1	Very high	94.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-76.1	-54.6	177.1	-68	166.7	0	0	0	111.3	M139 I141 T155 L156 R157 D161 K162 I173 L259 I263 A265 Y269 F359	M139-L159 HydrophobicContact SD-CD2 4.31Å; I141-L159 HydrophobicContact CD1-CD1 3.55Å; T155-L159 HydrophobicContact CG2-CD1 3.98Å; T155-L159 WeakPolarHBondContact O-CG 3.43Å; T155-L159 PolarHBondContact O-N 2.83Å; L156-L159 PolarHBondContact O-N 3.05Å; R157-L159 VanDerWaalsContact C-N 3.27Å; R157-L159 PolarHBondContact O-N 3.46Å; L159-D161 PolarHBondContact O-N 2.97Å; L159-K162 PolarHBondContact O-N 3.12Å; L159-I173 HydrophobicContact CB-CD1 4.44Å; L159-L259 HydrophobicContact CD1-CD1 3.96Å; L159-L259 HydrophobicContact CD2-CD1 4.11Å; L159-I263 HydrophobicContact CD2-CD1 4.31Å; L159-A265 HydrophobicContact CD2-CB 3.77Å; L159-Y269 HydrophobicContact CD2-CE1 4.17Å; L159-Y269 HydrophobicContact CD2-CE2 4.03Å; L159-F359 HydrophobicContact CD2-CE1 4.03Å
160	I	97.7	Very high	95.4	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-65.6	-40.4	-171.3	-67.1	161.3	0	0	0	111.9	L156 R157 K162 L163 K168 I173 F196 E199 L204	L156-I160 HydrophobicContact CB-CD1 4.19Å; L156-I160 WeakPolarHBondContact O-CB 3.49Å; L156-I160 WeakPolarHBondContact O-CD1 3.49Å; L156-I160 VanDerWaalsContact O-CG1 3.3Å; L156-I160 WeakPolarHBondContact O-CG1 3.22Å; L156-I160 PolarHBondContact O-N 3.26Å; R157-I160 PolarHBondContact O-N 3.07Å; I160-K162 PolarHBondContact O-N 3.22Å; I160-L163 PolarHBondContact O-N 3.42Å; I160-K168 VanDerWaalsContact O-CE 3.32Å; I160-K168 WeakPolarHBondContact O-CE 3.21Å; I160-I173 HydrophobicContact CD1-CD1 4.45Å; I160-I173 HydrophobicContact CG1-CD1 3.79Å; I160-F196 HydrophobicContact CD1-CD1 3.78Å; I160-F196 HydrophobicContact CD1-CE1 3.87Å; I160-E199 HydrophobicContact CD1-CG 4.11Å; I160-E199 HydrophobicContact CG2-CG 3.95Å; I160-L204 HydrophobicContact CG1-CD2 4.48Å; I160-L204 HydrophobicContact CG2-CD2 4.38Å
161	D	95.8	Very high	95.7	Very high	122 Å²	122	47 Å²	47	65%	0.652	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-18.3	-178.7	-66.3	-16.5	0	0	0	112.5	R157 L159	R157-D161 WeakPolarHBondContact O-CB 3.3Å; R157-D161 PolarHBondContact O-N 2.71Å; L159-D161 PolarHBondContact O-N 2.97Å
162	K	95.3	Very high	96	Very high	56 Å²	56	46.5 Å²	46.5	24%	0.243	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	6	-179.1	-61.8	-175.3	-172.4	80.4	0	113.3	S158 L159 I160 A265 K266 Y269	S158-K162 WeakPolarHBondContact O-CD 3.2Å; S158-K162 VanDerWaalsContact O-CG 3.3Å; S158-K162 WeakPolarHBondContact O-CG 3.46Å; S158-K162 PolarHBondContact O-NZ 2.85Å; S158-K162 PolarHBondContact OG-NZ 2.7Å; L159-K162 PolarHBondContact O-N 3.12Å; I160-K162 PolarHBondContact O-N 3.22Å; K162-A265 VanDerWaalsContact CD-O 3.28Å; K162-A265 WeakPolarHBondContact CD-O 3.3Å; K162-A265 WeakPolarHBondContact CE-O 3.36Å; K162-A265 PolarHBondContact NZ-O 3.4Å; K162-K266 WeakPolarHBondContact CD-O 3.12Å; K162-Y269 HydrophobicContact CB-CD1 4.27Å; K162-Y269 HydrophobicContact CB-CE1 4.18Å
163	L	96	Very high	96.1	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.063	24%	0.237	C	C	.	.	S	Bend	trans	-96.2	132.4	172.5	-64.8	174.1	0	0	0	110.5	I160 E167 K168 L204 Y269 F270	I160-L163 PolarHBondContact O-N 3.42Å; L163-E167 HydrophobicContact CB-CB 4.38Å; L163-E167 HydrophobicContact CD2-CB 4.04Å; L163-K168 HydrophobicContact CB-CG 3.69Å; L163-K168 HydrophobicContact CD1-CG 4.23Å; L163-L204 HydrophobicContact CD1-CD1 4.39Å; L163-Y269 HydrophobicContact CD2-CE1 4.13Å; L163-F270 HydrophobicContact CD2-CB 3.6Å; L163-F270 HydrophobicContact CD2-CD2 3.86Å; L163-F270 HydrophobicContact CD2-CG 3.91Å
164	S	94.7	Very high	96.3	Very high	43 Å²	43	45 Å²	45	30%	0.301	23%	0.228	S	C	.	.			trans	-69.3	161.3	166.5	65.8	0	0	0	0	111.5	E166 E167 K168	S164-E166 VanDerWaalsContact C-N 3.25Å; S164-E166 PolarHBondContact O-N 3.18Å; S164-E167 WeakPolarHBondContact CB-OE2 3.49Å; S164-E167 PolarHBondContact N-OE2 3.36Å; S164-E167 PolarHBondContact O-N 3.39Å; S164-E167 VanDerWaalsContact O-N 3.11Å; S164-E167 WeakPolarHBondContact OG-CG 3.39Å; S164-E167 PolarHBondContact OG-N 3.48Å; S164-E167 PolarHBondContact OG-OE2 3.18Å; S164-K168 WeakPolarHBondContact O-CG 3.45Å; S164-K168 PolarHBondContact O-N 2.99Å
165	P	94.9	Very high	96.6	Very high	106 Å²	106	40.9 Å²	40.9	69%	0.688	21%	0.209	S	C	*	.	H	α-helix	trans	-55.9	-37.3	178.8	-27	35.8	0	0	0	114.1	K168 L169	P165-K168 PolarHBondContact O-N 3.5Å; P165-L169 PolarHBondContact O-N 2.82Å
166	E	93.1	Very high	96.6	Very high	161 Å²	161	40.8 Å²	40.8	75%	0.752	21%	0.209	S	C	*	.	H	α-helix	trans	-67.7	-43.1	176.9	-66.3	167.1	-169.2	0	0	111.3	S164 K168 L169 D170	S164-E166 VanDerWaalsContact C-N 3.25Å; S164-E166 PolarHBondContact O-N 3.18Å; E166-K168 VanDerWaalsContact C-N 3.32Å; E166-K168 PolarHBondContact O-N 3.12Å; E166-L169 WeakPolarHBondContact O-CB 3.28Å; E166-L169 PolarHBondContact O-N 3.07Å; E166-L169 VanDerWaalsContact O-N 3.13Å; E166-D170 PolarHBondContact O-N 2.88Å
167	E	95.6	Very high	96.6	Very high	15 Å²	15	40.8 Å²	40.8	7%	0.07	21%	0.209	C	C	.	.	H	α-helix	trans	-67.2	-33.4	177.8	-65.4	167.3	138.8	0	0	111.8	L163 S164 L169 D170 C171 F270 A271	L163-E167 HydrophobicContact CB-CB 4.38Å; L163-E167 HydrophobicContact CD2-CB 4.04Å; S164-E167 WeakPolarHBondContact CB-OE2 3.49Å; S164-E167 PolarHBondContact N-OE2 3.36Å; S164-E167 PolarHBondContact O-N 3.39Å; S164-E167 VanDerWaalsContact O-N 3.11Å; S164-E167 WeakPolarHBondContact OG-CG 3.39Å; S164-E167 PolarHBondContact OG-N 3.48Å; S164-E167 PolarHBondContact OG-OE2 3.18Å; E167-L169 PolarHBondContact O-N 2.95Å; E167-D170 CarbonylContact O-C 3.47Å; E167-D170 PolarHBondContact O-N 3.47Å; E167-D170 VanDerWaalsContact O-N 3.09Å; E167-C171 WeakPolarHBondContact O-CB 3.49Å; E167-C171 PolarHBondContact O-N 3.16Å; E167-F270 HydrophobicContact CB-CD1 3.88Å; E167-F270 HydrophobicContact CB-CE1 4.06Å; E167-F270 HydrophobicContact CB-CG 4.15Å; E167-F270 HydrophobicContact CB-CZ 4.5Å; E167-F270 HydrophobicContact CG-CD1 3.43Å; E167-F270 VanDerWaalsContact CG-CD1 3.43Å; E167-F270 HydrophobicContact CG-CE1 3.76Å; E167-F270 HydrophobicContact CG-CG 4.1Å; E167-F270 WeakPolarHBondContact OE1-CD1 3.05Å; E167-A271 WeakPolarHBondContact OE1-CB 3.39Å; E167-A271 PolarHBondContact OE1-N 3.01Å
168	K	97.1	Very high	96.6	Very high	61 Å²	61	36 Å²	36	27%	0.265	19%	0.191	S	C	.	.	H	α-helix	trans	-62.1	-27.1	173.1	-70.8	-173.7	-178.7	-167.1	0	112.8	R132 I160 L163 S164 P165 E166 L204	R132-K168 PolarHBondContact NH1-O 3.39Å; R132-K168 PolarHBondContact NH2-O 3.03Å; I160-K168 VanDerWaalsContact O-CE 3.32Å; I160-K168 WeakPolarHBondContact O-CE 3.21Å; L163-K168 HydrophobicContact CB-CG 3.69Å; L163-K168 HydrophobicContact CD1-CG 4.23Å; S164-K168 WeakPolarHBondContact O-CG 3.45Å; S164-K168 PolarHBondContact O-N 2.99Å; P165-K168 PolarHBondContact O-N 3.5Å; E166-K168 VanDerWaalsContact C-N 3.32Å; E166-K168 PolarHBondContact O-N 3.12Å; K168-L204 HydrophobicContact CB-CD2 4.08Å; K168-L204 HydrophobicContact CD-CD2 4.05Å; K168-L204 HydrophobicContact CG-CD2 3.84Å
169	L	95.4	Very high	96.6	Very high	129 Å²	129	37.4 Å²	37.4	68%	0.675	20%	0.196	S	C	*	.	H	α-helix	trans	-80.4	-27.9	174.4	-65.2	173.1	0	0	0	112.4	R132 P165 E166 E167	R132-L169 PolarHBondContact NH1-O 3.37Å; P165-L169 PolarHBondContact O-N 2.82Å; E166-L169 WeakPolarHBondContact O-CB 3.28Å; E166-L169 PolarHBondContact O-N 3.07Å; E166-L169 VanDerWaalsContact O-N 3.13Å; E167-L169 PolarHBondContact O-N 2.95Å
170	D	94.9	Very high	96.5	Very high	37 Å²	37	40.6 Å²	40.6	20%	0.198	22%	0.216	C	C	.	.	S	Bend	trans	-100.7	22.3	-174.3	-168.6	29.5	0	0	0	113.5	T136 M137 E166 E167 F270 R274	T136-D170 WeakPolarHBondContact CB-OD1 3.26Å; T136-D170 VanDerWaalsContact CB-OD2 3.29Å; T136-D170 WeakPolarHBondContact CB-OD2 3.37Å; T136-D170 PolarHBondContact N-O 2.94Å; T136-D170 PolarHBondContact N-OD1 2.93Å; T136-D170 PolarHBondContact OG1-OD1 3.03Å; T136-D170 PolarHBondContact OG1-OD2 2.85Å; M137-D170 PolarHBondContact N-O 2.98Å; E166-D170 PolarHBondContact O-N 2.88Å; E167-D170 CarbonylContact O-C 3.47Å; E167-D170 PolarHBondContact O-N 3.47Å; E167-D170 VanDerWaalsContact O-N 3.09Å; D170-F270 HydrophobicContact CB-CZ 4.36Å; D170-R274 IonicContact OD2-NH1 2.7Å
171	C	96.4	Very high	96.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	130.4	-170.1	178.2	0	0	0	0	113.4	R132 M137 M139 E167 L204 F270	R132-C171 PolarHBondContact NH2-O 2.97Å; M137-C171 CarbonylContact O-C 3.57Å; M137-C171 VanDerWaalsContact O-CA 3.29Å; M137-C171 WeakPolarHBondContact O-CA 3.47Å; M139-C171 WeakPolarHBondContact CE-SG 3.42Å; E167-C171 WeakPolarHBondContact O-CB 3.49Å; E167-C171 PolarHBondContact O-N 3.16Å; C171-L204 HydrophobicContact CB-CD1 4.3Å; C171-L204 WeakPolarHBondContact O-CD1 3.32Å; C171-F270 HydrophobicContact CB-CD2 4.29Å; C171-F270 HydrophobicContact CB-CE2 3.6Å; C171-F270 HydrophobicContact CB-CZ 4.33Å
172	V	98.3	Very high	96.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.5	169	175.8	0	0	0	0	110.3	R132 V135 M137 V138 M139 I174 E206	R132-V172 HydrophobicContact CB-CG2 3.88Å; R132-V172 HydrophobicContact CG-CG2 4.12Å; V135-V172 HydrophobicContact CG1-CG2 3.96Å; V135-V172 HydrophobicContact CG2-CB 4.28Å; V135-V172 HydrophobicContact CG2-CG2 3.9Å; M137-V172 PolarHBondContact O-N 2.72Å; V138-V172 CarbonylContact C-O 3.57Å; V138-V172 WeakPolarHBondContact CA-O 3.44Å; M139-V172 PolarHBondContact N-O 2.98Å; V172-I174 HydrophobicContact CG1-CD1 4.45Å; V172-I174 HydrophobicContact CG1-CG1 3.83Å; V172-E206 HydrophobicContact CG1-CG 4.19Å
173	I	98.7	Very high	96.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.9	171.8	-58.7	173.3	0	0	0	108.1	M139 I141 L156 L159 I160 L204 L205 E206	M139-I173 HydrophobicContact CB-CG1 4.29Å; M139-I173 HydrophobicContact CE-CD1 3.96Å; M139-I173 HydrophobicContact CE-CG1 3.61Å; M139-I173 CarbonylContact O-C 3.59Å; M139-I173 WeakPolarHBondContact O-CA 3.33Å; I141-I173 HydrophobicContact CD1-CG2 3.57Å; I141-I173 HydrophobicContact CG1-CG2 4.31Å; L156-I173 HydrophobicContact CD2-CG2 3.89Å; L159-I173 HydrophobicContact CB-CD1 4.44Å; I160-I173 HydrophobicContact CD1-CD1 4.45Å; I160-I173 HydrophobicContact CG1-CD1 3.79Å; I173-L204 HydrophobicContact CD1-CD1 4.44Å; I173-L204 HydrophobicContact CG1-CD1 4.41Å; I173-L204 PolarHBondContact N-O 3.35Å; I173-L205 HydrophobicContact CB-CD1 4.05Å; I173-L205 HydrophobicContact CG2-CD1 3.84Å; I173-L205 CarbonylContact O-C 3.5Å; I173-L205 WeakPolarHBondContact O-CA 3.34Å; I173-E206 PolarHBondContact O-N 2.94Å
174	I	98.7	Very high	96.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	112.8	-179.1	-52.5	174.3	0	0	0	108.2	V138 M139 I141 V172 I208 L245 Y248 A249 K252	V138-I174 HydrophobicContact CG1-CD1 3.41Å; V138-I174 VanDerWaalsContact CG1-CD1 3.41Å; V138-I174 HydrophobicContact CG1-CG1 4.04Å; M139-I174 PolarHBondContact O-N 2.96Å; I141-I174 PolarHBondContact N-O 2.88Å; V172-I174 HydrophobicContact CG1-CD1 4.45Å; V172-I174 HydrophobicContact CG1-CG1 3.83Å; I174-I208 HydrophobicContact CG2-CD1 3.93Å; I174-I208 HydrophobicContact CG2-CG1 3.87Å; I174-L245 HydrophobicContact CB-CD1 3.95Å; I174-L245 HydrophobicContact CG2-CD1 3.59Å; I174-Y248 HydrophobicContact CD1-CD1 3.83Å; I174-Y248 HydrophobicContact CD1-CE1 3.93Å; I174-Y248 HydrophobicContact CG1-CE1 4.45Å; I174-Y248 HydrophobicContact CG2-CD1 3.93Å; I174-Y248 HydrophobicContact CG2-CE1 3.93Å; I174-A249 HydrophobicContact CD1-CB 4.01Å; I174-K252 HydrophobicContact CD1-CD 3.59Å
175	V	98.6	Very high	96.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	113.4	171.1	177.1	0	0	0	0	108.5	I141 T143 L152 L156 V177 L192 L205 E206 V207 I208	I141-V175 CarbonylContact O-C 3.6Å; I141-V175 WeakPolarHBondContact O-CA 3.47Å; T143-V175 HydrophobicContact CG2-CG1 3.97Å; L152-V175 HydrophobicContact CD1-CG1 4.02Å; L152-V175 HydrophobicContact CD1-CG2 4.17Å; L152-V175 HydrophobicContact CD2-CG1 4.01Å; L156-V175 HydrophobicContact CD1-CG2 4.21Å; L156-V175 HydrophobicContact CD2-CG2 4.01Å; V175-V177 HydrophobicContact CG1-CG2 4.3Å; V175-L192 HydrophobicContact CG1-CD1 4.4Å; V175-L205 HydrophobicContact CG2-CD1 3.75Å; V175-E206 PolarHBondContact N-O 3.44Å; V175-V207 HydrophobicContact CB-CG2 4.43Å; V175-V207 CarbonylContact O-C 3.59Å; V175-V207 WeakPolarHBondContact O-CA 3.31Å; V175-I208 PolarHBondContact O-N 2.91Å
176	F	98.5	Very high	96.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	110.1	173.3	172.4	-97	0	0	0	110	I141 P142 T143 G178 I208 P210 D241 F244 L245	I141-F176 PolarHBondContact O-N 3Å; P142-F176 CarbonylContact C-O 3.44Å; P142-F176 VanDerWaalsContact CA-O 3.31Å; P142-F176 WeakPolarHBondContact CA-O 3.12Å; P142-F176 HydrophobicContact CB-CD1 4.05Å; T143-F176 PolarHBondContact N-O 3.15Å; F176-G178 VanDerWaalsContact CE1-CA 3.46Å; F176-G178 PolarHBondContact O-N 2.98Å; F176-I208 CarbonylContact C-O 3.47Å; F176-I208 WeakPolarHBondContact CA-O 3.26Å; F176-I208 HydrophobicContact CB-CD1 4.4Å; F176-I208 HydrophobicContact CB-CG1 4.17Å; F176-I208 HydrophobicContact CD2-CD1 3.83Å; F176-I208 HydrophobicContact CD2-CG1 3.95Å; F176-P210 HydrophobicContact CE2-CB 3.98Å; F176-P210 VanDerWaalsContact CE2-CD 3.47Å; F176-P210 HydrophobicContact CE2-CG 3.78Å; F176-P210 HydrophobicContact CZ-CB 4.07Å; F176-P210 HydrophobicContact CZ-CG 3.57Å; F176-D241 HydrophobicContact CD1-CB 4.3Å; F176-D241 HydrophobicContact CE1-CB 3.52Å; F176-D241 HydrophobicContact CZ-CB 4.27Å; F176-F244 AromaticContact CD2-CD1 3.87Å; F176-F244 HydrophobicContact CD2-CD1 3.87Å; F176-F244 HydrophobicContact CE2-CB 3.91Å; F176-F244 AromaticContact CE2-CD1 3.36Å; F176-F244 HydrophobicContact CE2-CD1 3.36Å; F176-F244 HydrophobicContact CE2-CE1 4.07Å; F176-F244 AromaticContact CE2-CG 3.79Å; F176-F244 HydrophobicContact CE2-CG 3.79Å; F176-F244 HydrophobicContact CZ-CB 4.11Å; F176-F244 HydrophobicContact CZ-CD1 4.34Å; F176-F244 HydrophobicContact CZ-CG 4.37Å; F176-L245 HydrophobicContact CB-CB 4.19Å; F176-L245 HydrophobicContact CB-CD1 4.02Å; F176-L245 HydrophobicContact CB-CD2 4.11Å; F176-L245 HydrophobicContact CB-CG 4.33Å; F176-L245 HydrophobicContact CG-CB 4.28Å
177	V	98.3	Very high	96.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	100.5	173.9	-170.6	0	0	0	0	107.8	T143 V175 E179 Y184 V185 V188 V207 I208 S209 P210	T143-V177 HydrophobicContact CG2-CB 4.3Å; T143-V177 HydrophobicContact CG2-CG1 4.4Å; T143-V177 HydrophobicContact CG2-CG2 3.96Å; V175-V177 HydrophobicContact CG1-CG2 4.3Å; V177-E179 HydrophobicContact CG1-CB 4.19Å; V177-E179 HydrophobicContact CG1-CG 4.27Å; V177-E179 PolarHBondContact O-N 3.39Å; V177-Y184 HydrophobicContact CG1-CE1 4.28Å; V177-V185 HydrophobicContact CB-CG1 4.48Å; V177-V185 HydrophobicContact CB-CG2 4.47Å; V177-V185 HydrophobicContact CG1-CG2 3.94Å; V177-V188 HydrophobicContact CG2-CG1 4.01Å; V177-V207 HydrophobicContact CG2-CG1 3.89Å; V177-I208 PolarHBondContact N-O 2.79Å; V177-S209 WeakPolarHBondContact O-CB 3.21Å; V177-P210 WeakPolarHBondContact O-CD 3.34Å
178	G	96.9	Very high	97	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.			trans	-73.8	40.7	-178.3	0	0	0	0	0	113.8	T143 F176 K237	T143-G178 PolarHBondContact O-N 2.87Å; F176-G178 VanDerWaalsContact CE1-CA 3.46Å; F176-G178 PolarHBondContact O-N 2.98Å; G178-K237 VanDerWaalsContact O-CE 3.26Å; G178-K237 WeakPolarHBondContact O-CE 3.49Å; G178-K237 PolarHBondContact O-NZ 3.28Å
179	E	96.3	Very high	97	Very high	41 Å²	41	37.5 Å²	37.5	19%	0.192	20%	0.201	C	C	.	.			trans	-123.6	146.5	-179.7	-62.8	-64.8	159	0	0	110.2	K145 V177 Y184 V185	K145-E179 HydrophobicContact CB-CG 4.15Å; K145-E179 WeakPolarHBondContact CB-OE1 3.32Å; K145-E179 PolarHBondContact N-OE1 2.91Å; V177-E179 HydrophobicContact CG1-CB 4.19Å; V177-E179 HydrophobicContact CG1-CG 4.27Å; V177-E179 PolarHBondContact O-N 3.39Å; E179-Y184 HydrophobicContact CB-CD1 3.9Å; E179-Y184 HydrophobicContact CB-CE1 4.35Å; E179-Y184 HydrophobicContact CG-CD1 3.65Å; E179-Y184 HydrophobicContact CG-CE1 3.65Å; E179-V185 HydrophobicContact CB-CG2 4.12Å
180	T	95.5	Very high	97.1	Very high	68 Å²	68	35.6 Å²	35.6	42%	0.417	20%	0.195	S	C	.	.			trans	-101.3	-9.8	177.8	58.8	0	0	0	0	112.7	L182 A212 Y215	T180-L182 PolarHBondContact O-N 2.89Å; T180-A212 HydrophobicContact CG2-CB 4.12Å; T180-Y215 HydrophobicContact CG2-CD2 3.69Å; T180-Y215 HydrophobicContact CG2-CE2 3.52Å
181	D	96.6	Very high	97.1	Very high	67 Å²	67	35.3 Å²	35.3	36%	0.358	20%	0.2	S	C	.	.			trans	-75.4	101.8	174.1	173.1	7.3	0	0	0	109.3	K145 D183 Y184 V185	K145-D181 IonicContact NZ-OD2 2.81Å; D181-D183 VanDerWaalsContact C-N 3.29Å; D181-D183 PolarHBondContact O-N 3.47Å; D181-D183 PolarHBondContact OD1-N 3.32Å; D181-Y184 PolarHBondContact O-N 3.39Å; D181-Y184 PolarHBondContact OD1-N 2.86Å; D181-Y184 WeakPolarHBondContact OD2-CB 3.22Å; D181-V185 WeakPolarHBondContact O-CG2 3.37Å; D181-V185 PolarHBondContact O-N 2.84Å
182	L	95.8	Very high	97.2	Very high	83 Å²	83	35.5 Å²	35.5	44%	0.435	20%	0.201	S	C	.	.	H	α-helix	trans	-62.4	-34.2	-174.9	-66.3	179.3	0	0	0	112.6	A125 V126 T180 Y184 V185 H186	A125-L182 HydrophobicContact CB-CD2 4.29Å; V126-L182 HydrophobicContact CG2-CD2 4.06Å; T180-L182 PolarHBondContact O-N 2.89Å; L182-Y184 VanDerWaalsContact C-N 3.31Å; L182-Y184 PolarHBondContact O-N 3.38Å; L182-V185 PolarHBondContact O-N 2.96Å; L182-H186 WeakPolarHBondContact O-CB 3.43Å; L182-H186 PolarHBondContact O-CD2 2.91Å; L182-H186 PolarHBondContact O-N 3.1Å
183	D	96.8	Very high	97.1	Very high	135 Å²	135	39.7 Å²	39.7	72%	0.722	22%	0.221	S	C	*	.	H	α-helix	trans	-63.7	-42.4	178.2	-68.1	-28.9	0	0	0	110.4	D181 S187	D181-D183 VanDerWaalsContact C-N 3.29Å; D181-D183 PolarHBondContact O-N 3.47Å; D181-D183 PolarHBondContact OD1-N 3.32Å; D183-S187 WeakPolarHBondContact O-CB 3.22Å; D183-S187 PolarHBondContact O-N 3.21Å
184	Y	95.9	Very high	97	Very high	38 Å²	38	48.6 Å²	48.6	15%	0.149	26%	0.259	C	S	.	.	H	α-helix	trans	-65.5	-46.4	173.6	177.9	-103.8	0	0	0	111.9	K145 V177 E179 D181 L182 H186 S187 V188	K145-Y184 WeakPolarHBondContact CA-OH 3.46Å; K145-Y184 HydrophobicContact CB-CD1 4.26Å; K145-Y184 HydrophobicContact CB-CE1 3.69Å; K145-Y184 HydrophobicContact CB-CE2 4.23Å; K145-Y184 HydrophobicContact CD-CD1 4.13Å; K145-Y184 HydrophobicContact CD-CD2 3.7Å; K145-Y184 HydrophobicContact CD-CE1 4.23Å; K145-Y184 HydrophobicContact CD-CE2 3.82Å; K145-Y184 HydrophobicContact CD-CG 3.85Å; K145-Y184 HydrophobicContact CG-CD1 4.46Å; K145-Y184 HydrophobicContact CG-CD2 4.12Å; K145-Y184 HydrophobicContact CG-CE1 4.05Å; K145-Y184 HydrophobicContact CG-CE2 3.68Å; K145-Y184 HydrophobicContact CG-CG 4.47Å; V177-Y184 HydrophobicContact CG1-CE1 4.28Å; E179-Y184 HydrophobicContact CB-CD1 3.9Å; E179-Y184 HydrophobicContact CB-CE1 4.35Å; E179-Y184 HydrophobicContact CG-CD1 3.65Å; E179-Y184 HydrophobicContact CG-CE1 3.65Å; D181-Y184 PolarHBondContact O-N 3.39Å; D181-Y184 PolarHBondContact OD1-N 2.86Å; D181-Y184 WeakPolarHBondContact OD2-CB 3.22Å; L182-Y184 VanDerWaalsContact C-N 3.31Å; L182-Y184 PolarHBondContact O-N 3.38Å; Y184-H186 VanDerWaalsContact C-N 3.32Å; Y184-H186 PolarHBondContact O-N 2.97Å; Y184-S187 WeakPolarHBondContact O-CB 3.46Å; Y184-S187 PolarHBondContact O-N 3.4Å; Y184-S187 VanDerWaalsContact O-N 3.08Å; Y184-S187 PolarHBondContact O-OG 3.15Å; Y184-V188 HydrophobicContact CD1-CG2 4.36Å; Y184-V188 HydrophobicContact CE1-CG2 3.81Å; Y184-V188 HydrophobicContact CE2-CG2 4.11Å; Y184-V188 PolarHBondContact O-N 2.86Å
185	V	97.1	Very high	96.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58	-46.6	178.7	175.8	0	0	0	0	110.7	V126 V177 E179 D181 L182 S187 V188 V189	V126-V185 HydrophobicContact CB-CG1 3.91Å; V126-V185 HydrophobicContact CG1-CG1 4.18Å; V126-V185 HydrophobicContact CG2-CG1 3.71Å; V177-V185 HydrophobicContact CB-CG1 4.48Å; V177-V185 HydrophobicContact CB-CG2 4.47Å; V177-V185 HydrophobicContact CG1-CG2 3.94Å; E179-V185 HydrophobicContact CB-CG2 4.12Å; D181-V185 WeakPolarHBondContact O-CG2 3.37Å; D181-V185 PolarHBondContact O-N 2.84Å; L182-V185 PolarHBondContact O-N 2.96Å; V185-S187 VanDerWaalsContact C-N 3.31Å; V185-S187 PolarHBondContact O-N 2.81Å; V185-V188 WeakPolarHBondContact O-CB 3.42Å; V185-V188 PolarHBondContact O-N 3.44Å; V185-V188 VanDerWaalsContact O-N 3.13Å; V185-V189 WeakPolarHBondContact O-CG2 3.37Å; V185-V189 PolarHBondContact O-N 3.11Å
186	H	97.5	Very high	96.8	Very high	95 Å²	95	53.3 Å²	53.3	44%	0.44	28%	0.282	S	S	.	.	H	α-helix	trans	-62.1	-37.4	175.9	-74.2	-57.8	0	0	0	112.1	L182 Y184 V188 V189 V190	L182-H186 WeakPolarHBondContact O-CB 3.43Å; L182-H186 PolarHBondContact O-CD2 2.91Å; L182-H186 PolarHBondContact O-N 3.1Å; Y184-H186 VanDerWaalsContact C-N 3.32Å; Y184-H186 PolarHBondContact O-N 2.97Å; H186-V188 VanDerWaalsContact C-N 3.29Å; H186-V188 PolarHBondContact O-N 2.8Å; H186-V189 PolarHBondContact O-N 2.9Å; H186-V190 WeakPolarHBondContact O-CG2 3.27Å; H186-V190 PolarHBondContact O-N 3.09Å
187	S	96.6	Very high	96.7	Very high	66 Å²	66	56 Å²	56	46%	0.462	30%	0.3	S	S	.	.	H	α-helix	trans	-62.2	-36	174.6	80.2	0	0	0	0	112.9	D183 Y184 V185 G191	D183-S187 WeakPolarHBondContact O-CB 3.22Å; D183-S187 PolarHBondContact O-N 3.21Å; Y184-S187 WeakPolarHBondContact O-CB 3.46Å; Y184-S187 PolarHBondContact O-N 3.4Å; Y184-S187 VanDerWaalsContact O-N 3.08Å; Y184-S187 PolarHBondContact O-OG 3.15Å; V185-S187 VanDerWaalsContact C-N 3.31Å; V185-S187 PolarHBondContact O-N 2.81Å; S187-G191 PolarHBondContact O-N 3.33Å; S187-G191 VanDerWaalsContact O-N 3.07Å
188	V	96.7	Very high	96.6	Very high	20 Å²	20	60.2 Å²	60.2	12%	0.121	33%	0.326	C	S	.	.	H	α-helix	trans	-68.5	-45.9	174.4	175.9	0	0	0	0	110.3	L152 V177 Y184 V185 H186 V190 G191 L192	L152-V188 HydrophobicContact CD2-CG1 4.08Å; V177-V188 HydrophobicContact CG2-CG1 4.01Å; Y184-V188 HydrophobicContact CD1-CG2 4.36Å; Y184-V188 HydrophobicContact CE1-CG2 3.81Å; Y184-V188 HydrophobicContact CE2-CG2 4.11Å; Y184-V188 PolarHBondContact O-N 2.86Å; V185-V188 WeakPolarHBondContact O-CB 3.42Å; V185-V188 PolarHBondContact O-N 3.44Å; V185-V188 VanDerWaalsContact O-N 3.13Å; H186-V188 VanDerWaalsContact C-N 3.29Å; H186-V188 PolarHBondContact O-N 2.8Å; V188-V190 PolarHBondContact O-N 3.37Å; V188-G191 PolarHBondContact O-N 2.95Å; V188-L192 HydrophobicContact CG1-CD1 4.12Å; V188-L192 HydrophobicContact CG1-CG 4.43Å; V188-L192 WeakPolarHBondContact O-CG 3.07Å; V188-L192 PolarHBondContact O-N 2.91Å
189	V	97.1	Very high	96.7	Very high	8 Å²	8	61.6 Å²	61.6	5%	0.048	33%	0.332	C	S	.	.	H	α-helix	trans	-57.1	-51	176.6	170.3	0	0	0	0	111	V126 V128 V185 H186 G191 L192 E193 V207	V126-V189 HydrophobicContact CG1-CG2 4.1Å; V128-V189 HydrophobicContact CG2-CG1 3.9Å; V128-V189 HydrophobicContact CG2-CG2 4.27Å; V185-V189 WeakPolarHBondContact O-CG2 3.37Å; V185-V189 PolarHBondContact O-N 3.11Å; H186-V189 PolarHBondContact O-N 2.9Å; V189-G191 VanDerWaalsContact C-N 3.28Å; V189-G191 PolarHBondContact O-N 2.9Å; V189-L192 CarbonylContact O-C 3.56Å; V189-L192 PolarHBondContact O-N 3.49Å; V189-E193 HydrophobicContact CG1-CG 4.27Å; V189-E193 WeakPolarHBondContact O-CG 3.27Å; V189-E193 PolarHBondContact O-N 3.41Å; V189-V207 HydrophobicContact CG2-CB 4.49Å; V189-V207 HydrophobicContact CG2-CG1 3.98Å
190	V	97.3	Very high	96.7	Very high	90 Å²	90	60 Å²	60	55%	0.545	33%	0.326	S	S	.	.	H	α-helix	trans	-60	-39.5	178.7	169.8	0	0	0	0	111.4	H186 V188 E193 K194	H186-V190 WeakPolarHBondContact O-CG2 3.27Å; H186-V190 PolarHBondContact O-N 3.09Å; V188-V190 PolarHBondContact O-N 3.37Å; V190-E193 PolarHBondContact O-N 3.04Å; V190-K194 PolarHBondContact O-N 2.87Å; V190-K194 VanDerWaalsContact O-N 3.08Å
191	G	96.5	Very high	96.7	Very high	31 Å²	31	62.7 Å²	62.7	32%	0.32	34%	0.337	S	S	.	.	H	α-helix	trans	-61.1	-43.2	173.9	0	0	0	0	0	112.6	S187 V188 V189 K194 E195	S187-G191 PolarHBondContact O-N 3.33Å; S187-G191 VanDerWaalsContact O-N 3.07Å; V188-G191 PolarHBondContact O-N 2.95Å; V189-G191 VanDerWaalsContact C-N 3.28Å; V189-G191 PolarHBondContact O-N 2.9Å; G191-K194 PolarHBondContact O-N 3.42Å; G191-E195 PolarHBondContact O-N 3.3Å
192	L	97.3	Very high	96.6	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.016	34%	0.341	C	S	.	.	H	α-helix	trans	-71.1	-37.7	177.6	-68.1	177.1	0	0	0	112.6	L152 L156 V175 V188 V189 K194 E195 F196 V207	L152-L192 HydrophobicContact CD2-CD1 4.2Å; L152-L192 HydrophobicContact CD2-CD2 4.12Å; L152-L192 HydrophobicContact CD2-CG 4.5Å; L152-L192 HydrophobicContact CG-CD2 4.46Å; L156-L192 HydrophobicContact CD1-CD2 3.47Å; L156-L192 VanDerWaalsContact CD1-CD2 3.47Å; V175-L192 HydrophobicContact CG1-CD1 4.4Å; V188-L192 HydrophobicContact CG1-CD1 4.12Å; V188-L192 HydrophobicContact CG1-CG 4.43Å; V188-L192 WeakPolarHBondContact O-CG 3.07Å; V188-L192 PolarHBondContact O-N 2.91Å; V189-L192 CarbonylContact O-C 3.56Å; V189-L192 PolarHBondContact O-N 3.49Å; L192-K194 VanDerWaalsContact C-N 3.27Å; L192-K194 PolarHBondContact O-N 2.98Å; L192-E195 PolarHBondContact O-N 2.93Å; L192-F196 HydrophobicContact CD2-CD2 3.77Å; L192-F196 HydrophobicContact CD2-CE2 3.92Å; L192-F196 WeakPolarHBondContact O-CA 3.42Å; L192-F196 WeakPolarHBondContact O-CB 3.47Å; L192-F196 PolarHBondContact O-N 3.39Å; L192-V207 HydrophobicContact CD1-CG1 4.43Å; L192-V207 HydrophobicContact CD1-CG2 3.61Å
193	E	95.9	Very high	96.6	Very high	89 Å²	89	58.6 Å²	58.6	42%	0.416	32%	0.321	S	S	.	.	H	α-helix	trans	-61.1	-38.6	174.3	-75.5	176.5	164.5	0	0	111.6	V189 V190 E195 S197 L200	V189-E193 HydrophobicContact CG1-CG 4.27Å; V189-E193 WeakPolarHBondContact O-CG 3.27Å; V189-E193 PolarHBondContact O-N 3.41Å; V190-E193 PolarHBondContact O-N 3.04Å; E193-E195 PolarHBondContact O-N 3.31Å; E193-S197 VanDerWaalsContact O-CB 3.23Å; E193-S197 WeakPolarHBondContact O-CB 3.48Å; E193-S197 PolarHBondContact O-N 2.9Å; E193-L200 HydrophobicContact CB-CD1 4.33Å; E193-L200 HydrophobicContact CG-CD1 3.74Å
194	K	96.6	Very high	96.7	Very high	186 Å²	186	52.3 Å²	52.3	81%	0.809	29%	0.287	S	S	*	.	H	α-helix	trans	-64.7	-37.9	177.6	-172.7	179.2	178.2	-177.8	0	112.9	V190 G191 L192	V190-K194 PolarHBondContact O-N 2.87Å; V190-K194 VanDerWaalsContact O-N 3.08Å; G191-K194 PolarHBondContact O-N 3.42Å; L192-K194 VanDerWaalsContact C-N 3.27Å; L192-K194 PolarHBondContact O-N 2.98Å
195	E	96.3	Very high	96.8	Very high	90 Å²	90	50.5 Å²	50.5	42%	0.421	28%	0.28	S	S	.	.	H	α-helix	trans	-97	-29.9	-174.7	-70.2	-171.5	-137.3	0	0	114.3	R157 G191 L192 E193	R157-E195 IonicContact CZ-OE2 2.71Å; R157-E195 IonicContact NE-OE2 2.91Å; R157-E195 PolarHBondContact NE-OE2 2.87Å; R157-E195 IonicContact NH2-OE1 3.86Å; R157-E195 IonicContact NH2-OE2 3.8Å; R157-E195 PolarHBondContact NH2-OE2 3.1Å; G191-E195 PolarHBondContact O-N 3.3Å; L192-E195 PolarHBondContact O-N 2.93Å; E193-E195 PolarHBondContact O-N 3.31Å
196	F	97.3	Very high	96.8	Very high	10 Å²	10	50.5 Å²	50.5	4%	0.044	28%	0.28	C	S	.	.	H	α-helix	trans	-131.5	29.2	-168.6	-56	-79.3	0	0	0	112.9	L156 R157 I160 L192 T198 E199 L200 L205	L156-F196 HydrophobicContact CB-CE1 3.93Å; L156-F196 HydrophobicContact CB-CE2 4.03Å; L156-F196 HydrophobicContact CB-CZ 3.51Å; L156-F196 HydrophobicContact CD1-CD2 4.23Å; L156-F196 HydrophobicContact CD1-CE2 3.88Å; L156-F196 HydrophobicContact CD1-CZ 4.23Å; R157-F196 HydrophobicContact CG-CE1 3.89Å; R157-F196 HydrophobicContact CG-CZ 3.81Å; I160-F196 HydrophobicContact CD1-CD1 3.78Å; I160-F196 HydrophobicContact CD1-CE1 3.87Å; L192-F196 HydrophobicContact CD2-CD2 3.77Å; L192-F196 HydrophobicContact CD2-CE2 3.92Å; L192-F196 WeakPolarHBondContact O-CA 3.42Å; L192-F196 WeakPolarHBondContact O-CB 3.47Å; L192-F196 PolarHBondContact O-N 3.39Å; F196-T198 PolarHBondContact O-N 3.16Å; F196-E199 WeakPolarHBondContact CA-OE2 3.21Å; F196-E199 HydrophobicContact CB-CB 4.37Å; F196-E199 PolarHBondContact O-N 2.94Å; F196-L200 PolarHBondContact O-N 3.39Å; F196-L205 HydrophobicContact CB-CD2 3.81Å; F196-L205 HydrophobicContact CG-CD2 4.23Å
197	S	96.8	Very high	96.9	Very high	55 Å²	55	46 Å²	46	39%	0.385	26%	0.259	S	S	.	.	H	α-helix	trans	-52.8	-38.5	178.3	51.4	0	0	0	0	112.8	E193 N201	E193-S197 VanDerWaalsContact O-CB 3.23Å; E193-S197 WeakPolarHBondContact O-CB 3.48Å; E193-S197 PolarHBondContact O-N 2.9Å; S197-N201 WeakPolarHBondContact O-CB 3.33Å; S197-N201 PolarHBondContact O-N 2.82Å; S197-N201 PolarHBondContact O-ND2 2.77Å
198	T	96.5	Very high	96.9	Very high	90 Å²	90	42.9 Å²	42.9	55%	0.552	24%	0.237	S	C	*	.	H	α-helix	trans	-61.7	-42.4	176.6	33	0	0	0	0	112.7	F196 S202	F196-T198 PolarHBondContact O-N 3.16Å; T198-S202 WeakPolarHBondContact O-CB 3.39Å; T198-S202 PolarHBondContact O-N 2.7Å; T198-S202 PolarHBondContact O-OG 2.7Å
199	E	97.6	Very high	97	Very high	28 Å²	28	42 Å²	42	13%	0.131	23%	0.232	C	C	.	.	H	α-helix	trans	-75.6	-35.7	-178.8	-69.6	74.7	-160.7	0	0	112.2	I160 F196 S202 G203 L204 L205	I160-E199 HydrophobicContact CD1-CG 4.11Å; I160-E199 HydrophobicContact CG2-CG 3.95Å; F196-E199 WeakPolarHBondContact CA-OE2 3.21Å; F196-E199 HydrophobicContact CB-CB 4.37Å; F196-E199 PolarHBondContact O-N 2.94Å; E199-S202 WeakPolarHBondContact CA-OG 3.49Å; E199-S202 PolarHBondContact O-OG 2.75Å; E199-S202 VanDerWaalsContact O-OG 3.13Å; E199-G203 PolarHBondContact O-N 2.81Å; E199-L204 HydrophobicContact CB-CB 4.3Å; E199-L204 HydrophobicContact CB-CD2 4.35Å; E199-L204 HydrophobicContact CB-CG 4.5Å; E199-L204 HydrophobicContact CG-CD2 3.83Å; E199-L204 HydrophobicContact CG-CG 4.49Å; E199-L204 PolarHBondContact O-N 3.42Å; E199-L205 HydrophobicContact CB-CB 3.95Å; E199-L205 PolarHBondContact O-N 2.78Å
200	L	96.8	Very high	97	Very high	9 Å²	9	41.6 Å²	41.6	5%	0.047	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-48.2	171.6	-70.2	166	0	0	0	111	V128 E193 F196 S202 G203 L205 V207	V128-L200 HydrophobicContact CG1-CD2 4.3Å; E193-L200 HydrophobicContact CB-CD1 4.33Å; E193-L200 HydrophobicContact CG-CD1 3.74Å; F196-L200 PolarHBondContact O-N 3.39Å; L200-S202 VanDerWaalsContact C-N 3.29Å; L200-S202 PolarHBondContact O-N 3.08Å; L200-G203 PolarHBondContact O-N 2.9Å; L200-G203 VanDerWaalsContact O-N 3.14Å; L200-L205 HydrophobicContact CD2-CB 4.04Å; L200-L205 HydrophobicContact CD2-CD2 4Å; L200-L205 HydrophobicContact CD2-CG 3.88Å; L200-L205 HydrophobicContact CG-CB 4.35Å; L200-L205 HydrophobicContact CG-CD2 4.13Å; L200-L205 HydrophobicContact CG-CG 4.42Å; L200-V207 HydrophobicContact CD2-CG2 4.08Å
201	N	95.6	Very high	97	Very high	124 Å²	124	38.2 Å²	38.2	66%	0.663	21%	0.21	S	C	*	.	H	α-helix	trans	-70	-23.3	-178.5	-70.7	-26.5	0	0	0	113.6	L130 S197	L130-N201 VanDerWaalsContact CD1-O 3.25Å; L130-N201 WeakPolarHBondContact CD1-O 3.36Å; S197-N201 WeakPolarHBondContact O-CB 3.33Å; S197-N201 PolarHBondContact O-N 2.82Å; S197-N201 PolarHBondContact O-ND2 2.77Å
202	S	95.4	Very high	96.9	Very high	63 Å²	63	40 Å²	40	44%	0.441	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-8.2	174.2	56.5	0	0	0	0	113.5	T198 E199 L200 L204	T198-S202 WeakPolarHBondContact O-CB 3.39Å; T198-S202 PolarHBondContact O-N 2.7Å; T198-S202 PolarHBondContact O-OG 2.7Å; E199-S202 WeakPolarHBondContact CA-OG 3.49Å; E199-S202 PolarHBondContact O-OG 2.75Å; E199-S202 VanDerWaalsContact O-OG 3.13Å; L200-S202 VanDerWaalsContact C-N 3.29Å; L200-S202 PolarHBondContact O-N 3.08Å; S202-L204 VanDerWaalsContact C-N 3.27Å
203	G	95.5	Very high	96.8	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.01	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	16.7	-174.3	0	0	0	0	0	114	R132 E199 L200	R132-G203 PolarHBondContact NE-O 3.28Å; R132-G203 PolarHBondContact NH2-O 2.83Å; E199-G203 PolarHBondContact O-N 2.81Å; L200-G203 PolarHBondContact O-N 2.9Å; L200-G203 VanDerWaalsContact O-N 3.14Å
204	L	97.8	Very high	96.8	Very high	2 Å²	2	37 Å²	37	1%	0.01	21%	0.213	C	C	.	.	S	Bend	trans	-73.6	-40.8	169.3	172.9	59	0	0	0	110.9	I160 L163 K168 C171 I173 E199 S202	I160-L204 HydrophobicContact CG1-CD2 4.48Å; I160-L204 HydrophobicContact CG2-CD2 4.38Å; L163-L204 HydrophobicContact CD1-CD1 4.39Å; K168-L204 HydrophobicContact CB-CD2 4.08Å; K168-L204 HydrophobicContact CD-CD2 4.05Å; K168-L204 HydrophobicContact CG-CD2 3.84Å; C171-L204 HydrophobicContact CB-CD1 4.3Å; C171-L204 WeakPolarHBondContact O-CD1 3.32Å; I173-L204 HydrophobicContact CD1-CD1 4.44Å; I173-L204 HydrophobicContact CG1-CD1 4.41Å; I173-L204 PolarHBondContact N-O 3.35Å; E199-L204 HydrophobicContact CB-CB 4.3Å; E199-L204 HydrophobicContact CB-CD2 4.35Å; E199-L204 HydrophobicContact CB-CG 4.5Å; E199-L204 HydrophobicContact CG-CD2 3.83Å; E199-L204 HydrophobicContact CG-CG 4.49Å; E199-L204 PolarHBondContact O-N 3.42Å; S202-L204 VanDerWaalsContact C-N 3.27Å
205	L	98.4	Very high	96.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	133.7	179.8	-172.9	62.2	0	0	0	110.1	L156 I173 V175 F196 E199 L200	L156-L205 HydrophobicContact CD1-CD2 4.35Å; L156-L205 HydrophobicContact CD2-CD1 3.91Å; I173-L205 HydrophobicContact CB-CD1 4.05Å; I173-L205 HydrophobicContact CG2-CD1 3.84Å; I173-L205 CarbonylContact O-C 3.5Å; I173-L205 WeakPolarHBondContact O-CA 3.34Å; V175-L205 HydrophobicContact CG2-CD1 3.75Å; F196-L205 HydrophobicContact CB-CD2 3.81Å; F196-L205 HydrophobicContact CG-CD2 4.23Å; E199-L205 HydrophobicContact CB-CB 3.95Å; E199-L205 PolarHBondContact O-N 2.78Å; L200-L205 HydrophobicContact CD2-CB 4.04Å; L200-L205 HydrophobicContact CD2-CD2 4Å; L200-L205 HydrophobicContact CD2-CG 3.88Å; L200-L205 HydrophobicContact CG-CB 4.35Å; L200-L205 HydrophobicContact CG-CD2 4.13Å; L200-L205 HydrophobicContact CG-CG 4.42Å
206	E	97.9	Very high	96.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.6	169.9	-63.9	-175.5	-168	0	0	109.4	V128 G131 R132 V172 I173 V175 Y248 K252	V128-E206 CarbonylContact O-C 3.57Å; V128-E206 VanDerWaalsContact O-CA 3.28Å; V128-E206 WeakPolarHBondContact O-CA 3.21Å; G131-E206 WeakPolarHBondContact CA-OE1 3.41Å; G131-E206 PolarHBondContact N-OE1 2.82Å; R132-E206 PolarHBondContact N-OE1 2.82Å; V172-E206 HydrophobicContact CG1-CG 4.19Å; I173-E206 PolarHBondContact O-N 2.94Å; V175-E206 PolarHBondContact N-O 3.44Å; E206-Y248 WeakPolarHBondContact OE2-CE1 3.27Å; E206-Y248 PolarHBondContact OE2-OH 2.81Å; E206-K252 VanDerWaalsContact CD-NZ 3.26Å; E206-K252 IonicContact OE1-NZ 2.87Å; E206-K252 PolarHBondContact OE1-NZ 3.15Å; E206-K252 VanDerWaalsContact OE2-CE 3.3Å; E206-K252 WeakPolarHBondContact OE2-CE 3.28Å; E206-K252 IonicContact OE2-NZ 2.81Å; E206-K252 PolarHBondContact OE2-NZ 3.44Å
207	V	98.4	Very high	96.4	Very high	1 Å²	1	30 Å²	30	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126.9	175.8	-170.5	0	0	0	0	108.6	Q127 V128 V175 V177 V189 L192 L200	Q127-V207 CarbonylContact C-O 3.49Å; Q127-V207 WeakPolarHBondContact CA-O 3.33Å; V128-V207 HydrophobicContact CB-CB 4.31Å; V128-V207 PolarHBondContact N-O 2.88Å; V128-V207 PolarHBondContact O-N 2.86Å; V175-V207 HydrophobicContact CB-CG2 4.43Å; V175-V207 CarbonylContact O-C 3.59Å; V175-V207 WeakPolarHBondContact O-CA 3.31Å; V177-V207 HydrophobicContact CG2-CG1 3.89Å; V189-V207 HydrophobicContact CG2-CB 4.49Å; V189-V207 HydrophobicContact CG2-CG1 3.98Å; L192-V207 HydrophobicContact CD1-CG1 4.43Å; L192-V207 HydrophobicContact CD1-CG2 3.61Å; L200-V207 HydrophobicContact CD2-CG2 4.08Å
208	I	98.3	Very high	96.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	152	176.7	57.2	163.6	0	0	0	111.3	P124 V126 Q127 I174 V175 F176 V177 F244 L245 Y248	P124-I208 HydrophobicContact CB-CB 4.32Å; P124-I208 HydrophobicContact CB-CG2 4.36Å; P124-I208 HydrophobicContact CG-CG2 4.34Å; V126-I208 CarbonylContact O-C 3.59Å; V126-I208 VanDerWaalsContact O-CA 3.23Å; V126-I208 WeakPolarHBondContact O-CA 3.36Å; Q127-I208 HydrophobicContact CB-CG2 4.47Å; Q127-I208 HydrophobicContact CG-CG2 4.15Å; I174-I208 HydrophobicContact CG2-CD1 3.93Å; I174-I208 HydrophobicContact CG2-CG1 3.87Å; V175-I208 PolarHBondContact O-N 2.91Å; F176-I208 CarbonylContact C-O 3.47Å; F176-I208 WeakPolarHBondContact CA-O 3.26Å; F176-I208 HydrophobicContact CB-CD1 4.4Å; F176-I208 HydrophobicContact CB-CG1 4.17Å; F176-I208 HydrophobicContact CD2-CD1 3.83Å; F176-I208 HydrophobicContact CD2-CG1 3.95Å; V177-I208 PolarHBondContact N-O 2.79Å; I208-F244 HydrophobicContact CD1-CD1 4.25Å; I208-F244 HydrophobicContact CD1-CE1 4.18Å; I208-L245 HydrophobicContact CD1-CD1 4.43Å; I208-Y248 HydrophobicContact CD1-CD1 3.6Å; I208-Y248 HydrophobicContact CD1-CD2 4.36Å; I208-Y248 HydrophobicContact CD1-CE1 4.15Å; I208-Y248 HydrophobicContact CD1-CG 3.72Å; I208-Y248 HydrophobicContact CG2-CD1 4.33Å; I208-Y248 HydrophobicContact CG2-CD2 4.47Å; I208-Y248 HydrophobicContact CG2-CE1 3.8Å; I208-Y248 HydrophobicContact CG2-CE2 4Å
209	S	98.1	Very high	96	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.4	166.9	74.2	0	0	0	0	111.2	P124 A125 V126 V177	P124-S209 CarbonylContact C-O 3.56Å; P124-S209 VanDerWaalsContact CA-O 3.23Å; P124-S209 WeakPolarHBondContact CA-O 2.91Å; A125-S209 PolarHBondContact N-O 2.63Å; V126-S209 WeakPolarHBondContact CB-OG 3.29Å; V126-S209 PolarHBondContact N-OG 3.3Å; V126-S209 PolarHBondContact O-N 2.81Å; V177-S209 WeakPolarHBondContact O-CB 3.21Å
210	P	97.2	Very high	95.5	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	20%	0.202	C	C	.	.			trans	-80	148.8	177.8	33.7	-32.4	0	0	0	110.8	F176 V177 Y214 Y215 F244	F176-P210 HydrophobicContact CE2-CB 3.98Å; F176-P210 VanDerWaalsContact CE2-CD 3.47Å; F176-P210 HydrophobicContact CE2-CG 3.78Å; F176-P210 HydrophobicContact CZ-CB 4.07Å; F176-P210 HydrophobicContact CZ-CG 3.57Å; V177-P210 WeakPolarHBondContact O-CD 3.34Å; P210-Y214 HydrophobicContact CB-CD1 4Å; P210-Y214 HydrophobicContact CB-CG 4.43Å; P210-Y215 HydrophobicContact CB-CE2 4.14Å; P210-Y215 HydrophobicContact CG-CE2 3.65Å; P210-Y215 WeakPolarHBondContact CG-OH 3.43Å; P210-F244 HydrophobicContact CB-CD2 4.13Å; P210-F244 HydrophobicContact CB-CE2 4.09Å; P210-F244 HydrophobicContact CB-CG 4.4Å; P210-F244 HydrophobicContact CB-CZ 4.31Å
211	P	96.4	Very high	95.3	Very high	19 Å²	19	35 Å²	35	12%	0.123	21%	0.206	C	C	.	.			trans	-69.6	151.3	170	30.8	-33	0	0	0	110.1	S121 Q123 A125 A213 Y214	S121-P211 WeakPolarHBondContact O-CG 3.42Å; Q123-P211 WeakPolarHBondContact O-CD 3.33Å; Q123-P211 WeakPolarHBondContact O-CG 3.36Å; A125-P211 HydrophobicContact CB-CB 4.17Å; P211-A213 PolarHBondContact O-N 2.83Å; P211-A213 VanDerWaalsContact O-N 3.15Å; P211-Y214 WeakPolarHBondContact O-CB 3.37Å; P211-Y214 PolarHBondContact O-N 2.83Å
212	A	95.4	Very high	95	Very high	68 Å²	68	36.8 Å²	36.8	56%	0.562	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-56.3	-34.3	176.7	0	0	0	0	0	112.4	T180 Y214 Y215	T180-A212 HydrophobicContact CG2-CB 4.12Å; A212-Y214 PolarHBondContact O-N 2.81Å; A212-Y215 PolarHBondContact O-N 3.3Å
213	A	93.9	Very high	94.9	Very high	30 Å²	30	38.9 Å²	38.9	25%	0.248	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-69.3	-9.7	178.5	0	0	0	0	0	114.4	N118 S121 P211	N118-A213 HydrophobicContact CB-CB 3.95Å; S121-A213 WeakPolarHBondContact OG-CB 3.5Å; S121-A213 PolarHBondContact OG-O 2.87Å; P211-A213 PolarHBondContact O-N 2.83Å; P211-A213 VanDerWaalsContact O-N 3.15Å
214	Y	95.8	Very high	94.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-68.2	-39.7	172	175.5	-117.1	0	0	0	111.4	H114 L115 S121 L122 P210 P211 A212 L240 F244 M247	H114-Y214 PolarHBondContact NE2-O 2.8Å; L115-Y214 HydrophobicContact CD2-CD2 4.01Å; L115-Y214 WeakPolarHBondContact CD2-O 3.27Å; S121-Y214 WeakPolarHBondContact O-CB 3.42Å; L122-Y214 HydrophobicContact CD2-CD2 4.08Å; L122-Y214 HydrophobicContact CD2-CE2 4.11Å; P210-Y214 HydrophobicContact CB-CD1 4Å; P210-Y214 HydrophobicContact CB-CG 4.43Å; P211-Y214 WeakPolarHBondContact O-CB 3.37Å; P211-Y214 PolarHBondContact O-N 2.83Å; A212-Y214 PolarHBondContact O-N 2.81Å; Y214-L240 HydrophobicContact CE1-CB 3.95Å; Y214-L240 WeakPolarHBondContact CE1-O 3.49Å; Y214-L240 PolarHBondContact OH-O 3.07Å; Y214-F244 AromaticContact CD1-CD2 3.85Å; Y214-F244 HydrophobicContact CD1-CD2 3.85Å; Y214-F244 AromaticContact CD2-CD2 3.77Å; Y214-F244 HydrophobicContact CD2-CD2 3.77Å; Y214-F244 HydrophobicContact CD2-CE2 4.18Å; Y214-F244 HydrophobicContact CE1-CB 3.82Å; Y214-F244 AromaticContact CE1-CD2 3.77Å; Y214-F244 HydrophobicContact CE1-CD2 3.77Å; Y214-F244 HydrophobicContact CE1-CG 4.23Å; Y214-F244 AromaticContact CE2-CD2 3.71Å; Y214-F244 HydrophobicContact CE2-CD2 3.71Å; Y214-F244 AromaticContact CG-CD2 3.84Å; Y214-F244 HydrophobicContact CG-CD2 3.84Å; Y214-F244 HydrophobicContact CG-CE2 4.22Å; Y214-F244 AromaticContact CZ-CD2 3.71Å; Y214-F244 PolarHBondContact OH-N 3.24Å; Y214-M247 HydrophobicContact CE2-CE 4.2Å
215	Y	96.1	Very high	94.1	Very high	28 Å²	28	45 Å²	45	11%	0.11	24%	0.239	C	C	.	.	S	Bend	trans	-82.3	135.7	-174.6	-60.7	-76.7	0	0	0	111.9	T180 P210 A212 K237 L240 D241	T180-Y215 HydrophobicContact CG2-CD2 3.69Å; T180-Y215 HydrophobicContact CG2-CE2 3.52Å; P210-Y215 HydrophobicContact CB-CE2 4.14Å; P210-Y215 HydrophobicContact CG-CE2 3.65Å; P210-Y215 WeakPolarHBondContact CG-OH 3.43Å; A212-Y215 PolarHBondContact O-N 3.3Å; Y215-K237 HydrophobicContact CD1-CG 4.35Å; Y215-K237 HydrophobicContact CE1-CG 3.86Å; Y215-K237 PolarHBondContact OH-NZ 3.09Å; Y215-K237 VanDerWaalsContact OH-NZ 3.11Å; Y215-L240 HydrophobicContact CD1-CB 4.37Å; Y215-L240 HydrophobicContact CD1-CD1 4.04Å; Y215-L240 HydrophobicContact CE1-CB 4.29Å; Y215-D241 VanDerWaalsContact CE1-OD1 3.32Å; Y215-D241 WeakPolarHBondContact CE1-OD1 3.47Å; Y215-D241 PolarHBondContact OH-OD1 3.26Å
216	P	94.3	Very high	93.6	Very high	21 Å²	21	49 Å²	49	14%	0.136	28%	0.281	C	S	.	.			trans	-70.6	172.7	168	30.6	-32.8	0	0	0	110.5	L112 L218 L240 Y316	L112-P216 HydrophobicContact CD2-CG 4.29Å; P216-L218 HydrophobicContact CG-CD2 4.03Å; P216-L218 WeakPolarHBondContact O-CG 3.11Å; P216-L218 PolarHBondContact O-N 2.79Å; P216-L218 VanDerWaalsContact O-N 3.1Å; P216-L240 VanDerWaalsContact CD-CD1 3.5Å; P216-L240 HydrophobicContact CG-CD1 4Å; P216-Y316 HydrophobicContact CG-CE2 4.07Å
217	D	92.4	Very high	93.2	Very high	89 Å²	89	50.1 Å²	50.1	48%	0.476	29%	0.287	S	S	.	.			trans	-62.4	114.5	166.7	177.8	23.1	0	0	0	110.5	N219 N220	D217-N219 WeakPolarHBondContact OD1-CB 3.44Å; D217-N219 PolarHBondContact OD1-N 3.27Å; D217-N219 PolarHBondContact OD1-ND2 3.43Å; D217-N220 PolarHBondContact OD2-ND2 3.5Å
218	L	93.1	Very high	92.9	Very high	17 Å²	17	52.8 Å²	52.8	9%	0.089	31%	0.306	C	S	.	.			trans	-95.8	3.6	-179.6	-60.2	177.8	0	0	0	113.1	P216 L221 R233 T236 K237 L240	P216-L218 HydrophobicContact CG-CD2 4.03Å; P216-L218 WeakPolarHBondContact O-CG 3.11Å; P216-L218 PolarHBondContact O-N 2.79Å; P216-L218 VanDerWaalsContact O-N 3.1Å; L218-L221 HydrophobicContact CB-CD1 4.2Å; L218-L221 HydrophobicContact CD2-CD1 4.21Å; L218-L221 WeakPolarHBondContact O-CD1 3.46Å; L218-L221 WeakPolarHBondContact O-CG 3.46Å; L218-R233 HydrophobicContact CB-CG 4.03Å; L218-R233 HydrophobicContact CD1-CG 4.35Å; L218-T236 HydrophobicContact CD2-CG2 3.86Å; L218-K237 HydrophobicContact CD1-CB 3.96Å; L218-K237 HydrophobicContact CD1-CG 4.22Å; L218-L240 HydrophobicContact CD2-CD1 4.5Å
219	N	90.7	Very high	92.6	Very high	104 Å²	104	58.7 Å²	58.7	56%	0.556	33%	0.331	S	S	*	.	S	Bend	trans	-81.8	-24.8	-179	-59.3	-54.4	0	0	0	112.6	D217 R233	D217-N219 WeakPolarHBondContact OD1-CB 3.44Å; D217-N219 PolarHBondContact OD1-N 3.27Å; D217-N219 PolarHBondContact OD1-ND2 3.43Å; N219-R233 PolarHBondContact OD1-NH1 2.98Å; N219-R233 VanDerWaalsContact OD1-NH1 3.16Å
220	N	88.4	Confident	92.3	Very high	140 Å²	140	64.7 Å²	64.7	75%	0.749	36%	0.359	S	S	*	.	S	Bend	trans	-103.8	44.1	-175.5	-68.4	-44.1	0	0	0	112.8	D217	D217-N220 PolarHBondContact OD2-ND2 3.5Å
221	L	91.8	Very high	92	Very high	25 Å²	25	68.9 Å²	68.9	13%	0.131	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-90.1	142.1	178.6	-62.7	171.8	0	0	0	111.6	L218 V232 R233 T236 K317	L218-L221 HydrophobicContact CB-CD1 4.2Å; L218-L221 HydrophobicContact CD2-CD1 4.21Å; L218-L221 WeakPolarHBondContact O-CD1 3.46Å; L218-L221 WeakPolarHBondContact O-CG 3.46Å; L221-V232 HydrophobicContact CB-CG1 3.72Å; L221-V232 HydrophobicContact CD1-CG1 4.12Å; L221-R233 HydrophobicContact CD1-CB 4.27Å; L221-T236 HydrophobicContact CD1-CG2 3.99Å; L221-T236 HydrophobicContact CD2-CG2 4.1Å; L221-K317 HydrophobicContact CD2-CD 4.03Å; L221-K317 HydrophobicContact CD2-CG 4.03Å
222	K	90.9	Very high	91.9	Very high	163 Å²	163	68 Å²	68	71%	0.709	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-73.4	129.4	174.8	-176.6	-179.4	177.4	-176.8	0	110.3	T224	K222-T224 HydrophobicContact CG-CG2 4.4Å
223	E	91.3	Very high	91.8	Very high	107 Å²	107	70.6 Å²	70.6	50%	0.5	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-68.7	131.6	171.6	-68.9	170.1	-159.4	0	0	110.8	K229	E223-K229 HydrophobicContact CG-CG 3.96Å; E223-K229 WeakPolarHBondContact OE1-CE 3.46Å; E223-K229 WeakPolarHBondContact OE1-CG 3.44Å
224	T	89.4	Confident	91.8	Very high	23 Å²	23	72.4 Å²	72.4	14%	0.141	37%	0.365	C	S	.	.			trans	-139.3	157.8	179.3	63.4	0	0	0	0	110.2	K222 G226 D227 R235	K222-T224 HydrophobicContact CG-CG2 4.4Å; T224-G226 PolarHBondContact O-N 2.53Å; T224-D227 VanDerWaalsContact O-CB 3.32Å; T224-D227 WeakPolarHBondContact O-CB 3.34Å; T224-D227 PolarHBondContact O-N 3.22Å; T224-R235 PolarHBondContact OG1-NH2 2.8Å
225	F	87.4	Confident	91.7	Very high	107 Å²	107	72.5 Å²	72.5	47%	0.469	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	18.1	178.5	-42.9	-60.4	0	0	0	116	D227 E318 K319 W323	F225-D227 PolarHBondContact O-N 2.79Å; F225-E318 WeakPolarHBondContact CE2-O 3.38Å; F225-K319 HydrophobicContact CE2-CG 4.28Å; F225-K319 HydrophobicContact CZ-CG 3.98Å; F225-W323 HydrophobicContact CD1-CZ3 4.18Å; F225-W323 HydrophobicContact CD2-CZ3 4.35Å; F225-W323 HydrophobicContact CE1-CZ3 4.02Å; F225-W323 HydrophobicContact CE2-CZ3 4.16Å; F225-W323 HydrophobicContact CG-CZ3 4.36Å; F225-W323 HydrophobicContact CZ-CZ3 4.03Å
226	G	88	Confident	91.8	Very high	85 Å²	85	71.1 Å²	71.1	88%	0.876	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	13.4	-174.1	0	0	0	0	0	113.7	T224	T224-G226 PolarHBondContact O-N 2.53Å
227	D	89.9	Confident	91.9	Very high	24 Å²	24	72.2 Å²	72.2	13%	0.128	36%	0.362	C	S	.	.			trans	-74	142.9	176.3	-71.5	-18.3	0	0	0	111	T224 F225 R231 V232 R235	T224-D227 VanDerWaalsContact O-CB 3.32Å; T224-D227 WeakPolarHBondContact O-CB 3.34Å; T224-D227 PolarHBondContact O-N 3.22Å; F225-D227 PolarHBondContact O-N 2.79Å; D227-R231 HydrophobicContact CB-CB 4.1Å; D227-R231 HydrophobicContact CB-CG 3.91Å; D227-R231 WeakPolarHBondContact OD1-CD 3.43Å; D227-R231 IonicContact OD1-CZ 2.71Å; D227-R231 IonicContact OD1-NE 2.96Å; D227-R231 PolarHBondContact OD1-NE 2.84Å; D227-R231 IonicContact OD2-NE 3.93Å; D227-R231 PolarHBondContact OD2-NE 3.01Å; D227-V232 HydrophobicContact CB-CG2 3.75Å; D227-R235 IonicContact OD2-NE 2.77Å
228	S	92.3	Very high	92	Very high	57 Å²	57	69.4 Å²	69.4	40%	0.399	35%	0.346	S	S	.	.			trans	-65.9	160.6	170.2	83.7	0	0	0	0	111.6	E230 R231 V232	S228-E230 WeakPolarHBondContact CB-OE2 3.33Å; S228-E230 PolarHBondContact O-N 2.97Å; S228-E230 PolarHBondContact OG-N 3.04Å; S228-E230 PolarHBondContact OG-OE2 2.63Å; S228-R231 PolarHBondContact O-N 3.13Å; S228-R231 PolarHBondContact OG-N 3.08Å; S228-V232 WeakPolarHBondContact O-CG2 3.23Å; S228-V232 PolarHBondContact O-N 2.97Å
229	K	91.9	Very high	92.2	Very high	124 Å²	124	68.6 Å²	68.6	54%	0.539	34%	0.342	S	S	.	.	H	α-helix	trans	-54	-39.3	175.4	-65.9	-166.5	177.5	-179.1	0	112.7	E223 R231 V232 R233	E223-K229 HydrophobicContact CG-CG 3.96Å; E223-K229 WeakPolarHBondContact OE1-CE 3.46Å; E223-K229 WeakPolarHBondContact OE1-CG 3.44Å; K229-R231 VanDerWaalsContact C-N 3.34Å; K229-R231 PolarHBondContact O-N 3.41Å; K229-V232 PolarHBondContact O-N 3.13Å; K229-R233 VanDerWaalsContact O-CB 3.28Å; K229-R233 WeakPolarHBondContact O-CB 3.38Å; K229-R233 PolarHBondContact O-N 2.85Å
230	E	91.1	Very high	92.6	Very high	126 Å²	126	63.6 Å²	63.6	59%	0.589	32%	0.316	S	S	*	.	H	α-helix	trans	-63.5	-42.4	178.8	-59	73.8	-158.4	0	0	111	S228 R233 W234	S228-E230 WeakPolarHBondContact CB-OE2 3.33Å; S228-E230 PolarHBondContact O-N 2.97Å; S228-E230 PolarHBondContact OG-N 3.04Å; S228-E230 PolarHBondContact OG-OE2 2.63Å; E230-R233 PolarHBondContact O-N 3.03Å; E230-W234 VanDerWaalsContact O-CB 3.23Å; E230-W234 WeakPolarHBondContact O-CB 3.42Å; E230-W234 PolarHBondContact O-N 3.5Å
231	R	90.9	Very high	93	Very high	89 Å²	89	57.4 Å²	57.4	34%	0.336	28%	0.282	S	S	.	.	H	α-helix	trans	-68.7	-40.7	178.1	178.1	169.6	169.5	77.5	4.7	111.7	D227 S228 K229 W234 R235	D227-R231 HydrophobicContact CB-CB 4.1Å; D227-R231 HydrophobicContact CB-CG 3.91Å; D227-R231 WeakPolarHBondContact OD1-CD 3.43Å; D227-R231 IonicContact OD1-CZ 2.71Å; D227-R231 IonicContact OD1-NE 2.96Å; D227-R231 PolarHBondContact OD1-NE 2.84Å; D227-R231 IonicContact OD2-NE 3.93Å; D227-R231 PolarHBondContact OD2-NE 3.01Å; S228-R231 PolarHBondContact O-N 3.13Å; S228-R231 PolarHBondContact OG-N 3.08Å; K229-R231 VanDerWaalsContact C-N 3.34Å; K229-R231 PolarHBondContact O-N 3.41Å; R231-W234 PolarHBondContact O-N 3.4Å; R231-R235 WeakPolarHBondContact O-CG 3.32Å; R231-R235 PolarHBondContact O-N 3.05Å
232	V	94.3	Very high	93.3	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-62.3	-46.5	174.9	173	0	0	0	0	110.9	L221 D227 S228 K229 R235 T236	L221-V232 HydrophobicContact CB-CG1 3.72Å; L221-V232 HydrophobicContact CD1-CG1 4.12Å; D227-V232 HydrophobicContact CB-CG2 3.75Å; S228-V232 WeakPolarHBondContact O-CG2 3.23Å; S228-V232 PolarHBondContact O-N 2.97Å; K229-V232 PolarHBondContact O-N 3.13Å; V232-R235 WeakPolarHBondContact O-CG 3.27Å; V232-T236 VanDerWaalsContact O-CB 3.26Å; V232-T236 WeakPolarHBondContact O-CB 3.25Å; V232-T236 PolarHBondContact O-N 3.24Å; V232-T236 PolarHBondContact O-OG1 2.93Å
233	R	94.8	Very high	93.6	Very high	121 Å²	121	48.8 Å²	48.8	46%	0.457	24%	0.244	S	C	.	.	H	α-helix	trans	-59.3	-46.4	174	175.5	170.4	177.1	172.2	0.5	111.4	L218 N219 L221 K229 E230 T236 K237	L218-R233 HydrophobicContact CB-CG 4.03Å; L218-R233 HydrophobicContact CD1-CG 4.35Å; N219-R233 PolarHBondContact OD1-NH1 2.98Å; N219-R233 VanDerWaalsContact OD1-NH1 3.16Å; L221-R233 HydrophobicContact CD1-CB 4.27Å; K229-R233 VanDerWaalsContact O-CB 3.28Å; K229-R233 WeakPolarHBondContact O-CB 3.38Å; K229-R233 PolarHBondContact O-N 2.85Å; E230-R233 PolarHBondContact O-N 3.03Å; R233-T236 PolarHBondContact O-N 2.93Å; R233-K237 WeakPolarHBondContact O-CB 3.44Å; R233-K237 PolarHBondContact O-N 3.06Å
234	W	93.3	Very high	93.9	Very high	68 Å²	68	44 Å²	44	26%	0.258	22%	0.221	S	C	.	.	H	α-helix	trans	-59.2	-51.7	179	178.3	89.6	0	0	0	111.9	E230 R231 T236 K237 Q238 S367 L368	E230-W234 VanDerWaalsContact O-CB 3.23Å; E230-W234 WeakPolarHBondContact O-CB 3.42Å; E230-W234 PolarHBondContact O-N 3.5Å; R231-W234 PolarHBondContact O-N 3.4Å; W234-T236 VanDerWaalsContact C-N 3.34Å; W234-T236 PolarHBondContact O-N 3.22Å; W234-K237 PolarHBondContact O-N 3.21Å; W234-Q238 WeakPolarHBondContact O-CB 3.26Å; W234-Q238 PolarHBondContact O-N 3.41Å; W234-S367 PolarHBondContact NE1-OG 2.87Å; W234-L368 HydrophobicContact CB-CD1 4.11Å; W234-L368 HydrophobicContact CD2-CB 4.47Å; W234-L368 HydrophobicContact CG-CD1 4.06Å
235	R	94.5	Very high	94.3	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-67.6	-33.6	-179.7	68.5	179.5	-178.8	65.3	5.6	112.8	T224 D227 R231 V232 N239 K317 E318 P320	T224-R235 PolarHBondContact OG1-NH2 2.8Å; D227-R235 IonicContact OD2-NE 2.77Å; R231-R235 WeakPolarHBondContact O-CG 3.32Å; R231-R235 PolarHBondContact O-N 3.05Å; V232-R235 WeakPolarHBondContact O-CG 3.27Å; R235-N239 PolarHBondContact O-N 3.33Å; R235-N239 PolarHBondContact O-ND2 3.08Å; R235-K317 PolarHBondContact NH1-O 3.28Å; R235-K317 PolarHBondContact NH2-O 2.72Å; R235-E318 PolarHBondContact NH1-O 2.8Å; R235-P320 HydrophobicContact CB-CB 4.26Å
236	T	96.4	Very high	94.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.6	-44.7	177.3	-58.1	0	0	0	0	110.9	L218 L221 V232 R233 W234 N239 L240 Y316 K317	L218-T236 HydrophobicContact CD2-CG2 3.86Å; L221-T236 HydrophobicContact CD1-CG2 3.99Å; L221-T236 HydrophobicContact CD2-CG2 4.1Å; V232-T236 VanDerWaalsContact O-CB 3.26Å; V232-T236 WeakPolarHBondContact O-CB 3.25Å; V232-T236 PolarHBondContact O-N 3.24Å; V232-T236 PolarHBondContact O-OG1 2.93Å; R233-T236 PolarHBondContact O-N 2.93Å; W234-T236 VanDerWaalsContact C-N 3.34Å; W234-T236 PolarHBondContact O-N 3.22Å; T236-N239 PolarHBondContact O-N 3.38Å; T236-L240 PolarHBondContact O-N 3.07Å; T236-Y316 HydrophobicContact CG2-CD2 3.48Å; T236-Y316 VanDerWaalsContact CG2-CD2 3.48Å; T236-Y316 HydrophobicContact CG2-CE2 3.74Å; T236-K317 HydrophobicContact CG2-CG 4.19Å
237	K	96.7	Very high	95.1	Very high	43 Å²	43	36.3 Å²	36.3	19%	0.187	16%	0.163	C	C	.	.	H	α-helix	trans	-62	-45.4	174.8	-171	-168.7	174.2	-56.1	0	111	G178 Y215 L218 R233 W234 N239 L240 D241	G178-K237 VanDerWaalsContact O-CE 3.26Å; G178-K237 WeakPolarHBondContact O-CE 3.49Å; G178-K237 PolarHBondContact O-NZ 3.28Å; Y215-K237 HydrophobicContact CD1-CG 4.35Å; Y215-K237 HydrophobicContact CE1-CG 3.86Å; Y215-K237 PolarHBondContact OH-NZ 3.09Å; Y215-K237 VanDerWaalsContact OH-NZ 3.11Å; L218-K237 HydrophobicContact CD1-CB 3.96Å; L218-K237 HydrophobicContact CD1-CG 4.22Å; R233-K237 WeakPolarHBondContact O-CB 3.44Å; R233-K237 PolarHBondContact O-N 3.06Å; W234-K237 PolarHBondContact O-N 3.21Å; K237-N239 VanDerWaalsContact C-N 3.29Å; K237-N239 PolarHBondContact O-N 3.46Å; K237-L240 WeakPolarHBondContact O-CA 3.43Å; K237-L240 WeakPolarHBondContact O-CB 3.48Å; K237-L240 PolarHBondContact O-N 3.48Å; K237-D241 IonicContact NZ-OD1 2.85Å; K237-D241 PolarHBondContact NZ-OD1 3.38Å; K237-D241 IonicContact NZ-OD2 3.28Å; K237-D241 PolarHBondContact NZ-OD2 2.98Å; K237-D241 VanDerWaalsContact O-CG 3.24Å; K237-D241 PolarHBondContact O-N 3.45Å
238	Q	95.6	Very high	95.4	Very high	30 Å²	30	36.9 Å²	36.9	14%	0.14	16%	0.163	C	C	.	.	H	α-helix	trans	-56.8	-40.9	179.2	-176.4	-177	50.2	0	0	112.5	W234 L240 D241 Y242	W234-Q238 WeakPolarHBondContact O-CB 3.26Å; W234-Q238 PolarHBondContact O-N 3.41Å; Q238-L240 VanDerWaalsContact C-N 3.31Å; Q238-L240 PolarHBondContact O-N 3.47Å; Q238-D241 WeakPolarHBondContact O-CB 3.49Å; Q238-D241 PolarHBondContact O-N 2.89Å; Q238-Y242 HydrophobicContact CG-CD2 3.76Å; Q238-Y242 HydrophobicContact CG-CE2 3.24Å; Q238-Y242 PolarHBondContact NE2-OH 3.43Å; Q238-Y242 WeakPolarHBondContact O-CD2 3.42Å; Q238-Y242 PolarHBondContact O-N 3.22Å
239	N	97.3	Very high	95.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.9	-42.3	173.8	-76.3	-26	0	0	0	112.3	R235 T236 K237 S243 I312 Y316 K319 I321	R235-N239 PolarHBondContact O-N 3.33Å; R235-N239 PolarHBondContact O-ND2 3.08Å; T236-N239 PolarHBondContact O-N 3.38Å; K237-N239 VanDerWaalsContact C-N 3.29Å; K237-N239 PolarHBondContact O-N 3.46Å; N239-S243 WeakPolarHBondContact O-CB 3.4Å; N239-S243 PolarHBondContact O-N 3.32Å; N239-S243 VanDerWaalsContact O-N 3.09Å; N239-S243 PolarHBondContact O-OG 2.94Å; N239-I312 HydrophobicContact CB-CG2 3.74Å; N239-Y316 PolarHBondContact ND2-O 2.82Å; N239-K319 PolarHBondContact ND2-O 3.23Å; N239-I321 VanDerWaalsContact OD1-CA 3.27Å; N239-I321 WeakPolarHBondContact OD1-CA 3.3Å; N239-I321 VanDerWaalsContact OD1-CB 3.27Å; N239-I321 WeakPolarHBondContact OD1-CB 3.36Å; N239-I321 PolarHBondContact OD1-N 3.21Å; N239-I321 VanDerWaalsContact OD1-N 3.15Å
240	L	97.7	Very high	95.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-70.2	-37.5	178	-63.4	174.9	0	0	0	112.1	L112 Y214 Y215 P216 L218 T236 K237 Q238 S243 F244 F313 Y316	L112-L240 HydrophobicContact CD1-CD2 4.18Å; L112-L240 HydrophobicContact CD2-CD2 4.21Å; Y214-L240 HydrophobicContact CE1-CB 3.95Å; Y214-L240 WeakPolarHBondContact CE1-O 3.49Å; Y214-L240 PolarHBondContact OH-O 3.07Å; Y215-L240 HydrophobicContact CD1-CB 4.37Å; Y215-L240 HydrophobicContact CD1-CD1 4.04Å; Y215-L240 HydrophobicContact CE1-CB 4.29Å; P216-L240 VanDerWaalsContact CD-CD1 3.5Å; P216-L240 HydrophobicContact CG-CD1 4Å; L218-L240 HydrophobicContact CD2-CD1 4.5Å; T236-L240 PolarHBondContact O-N 3.07Å; K237-L240 WeakPolarHBondContact O-CA 3.43Å; K237-L240 WeakPolarHBondContact O-CB 3.48Å; K237-L240 PolarHBondContact O-N 3.48Å; Q238-L240 VanDerWaalsContact C-N 3.31Å; Q238-L240 PolarHBondContact O-N 3.47Å; L240-S243 PolarHBondContact O-N 3.44Å; L240-F244 PolarHBondContact O-N 2.91Å; L240-F313 HydrophobicContact CD2-CD1 4.13Å; L240-F313 HydrophobicContact CD2-CE1 3.93Å; L240-Y316 HydrophobicContact CD1-CD2 4.02Å; L240-Y316 HydrophobicContact CD1-CE2 3.95Å; L240-Y316 HydrophobicContact CD2-CD2 3.69Å; L240-Y316 HydrophobicContact CD2-CE2 4.03Å; L240-Y316 HydrophobicContact CD2-CG 4.06Å; L240-Y316 HydrophobicContact CG-CD2 3.8Å; L240-Y316 HydrophobicContact CG-CE2 4.21Å
241	D	97.7	Very high	95.4	Very high	9 Å²	9	27.3 Å²	27.3	5%	0.048	13%	0.125	C	C	.	.	H	α-helix	trans	-59.9	-52.4	176.8	-68.5	-10.5	0	0	0	110.9	F176 Y215 K237 Q238 S243 F244 L245	F176-D241 HydrophobicContact CD1-CB 4.3Å; F176-D241 HydrophobicContact CE1-CB 3.52Å; F176-D241 HydrophobicContact CZ-CB 4.27Å; Y215-D241 VanDerWaalsContact CE1-OD1 3.32Å; Y215-D241 WeakPolarHBondContact CE1-OD1 3.47Å; Y215-D241 PolarHBondContact OH-OD1 3.26Å; K237-D241 IonicContact NZ-OD1 2.85Å; K237-D241 PolarHBondContact NZ-OD1 3.38Å; K237-D241 IonicContact NZ-OD2 3.28Å; K237-D241 PolarHBondContact NZ-OD2 2.98Å; K237-D241 VanDerWaalsContact O-CG 3.24Å; K237-D241 PolarHBondContact O-N 3.45Å; Q238-D241 WeakPolarHBondContact O-CB 3.49Å; Q238-D241 PolarHBondContact O-N 2.89Å; D241-S243 VanDerWaalsContact C-N 3.3Å; D241-S243 PolarHBondContact O-N 3.35Å; D241-F244 PolarHBondContact O-N 3.15Å; D241-L245 PolarHBondContact O-N 3.03Å; D241-L245 VanDerWaalsContact O-N 3.13Å
242	Y	97.4	Very high	95.5	Very high	7 Å²	7	23.6 Å²	23.6	3%	0.027	11%	0.112	C	C	.	.	H	α-helix	trans	-61.9	-39.8	176.5	-69.4	-50	0	0	0	111.8	P142 Q238 F244 L245 M246 Q258 F295 I321	P142-Y242 HydrophobicContact CB-CE1 4.35Å; P142-Y242 HydrophobicContact CG-CD1 3.74Å; P142-Y242 HydrophobicContact CG-CE1 3.24Å; Q238-Y242 HydrophobicContact CG-CD2 3.76Å; Q238-Y242 HydrophobicContact CG-CE2 3.24Å; Q238-Y242 PolarHBondContact NE2-OH 3.43Å; Q238-Y242 WeakPolarHBondContact O-CD2 3.42Å; Q238-Y242 PolarHBondContact O-N 3.22Å; Y242-F244 PolarHBondContact O-N 3.45Å; Y242-L245 PolarHBondContact O-N 3.06Å; Y242-M246 WeakPolarHBondContact O-CB 3.47Å; Y242-M246 VanDerWaalsContact O-CG 3.27Å; Y242-M246 WeakPolarHBondContact O-CG 3.23Å; Y242-M246 PolarHBondContact O-N 3.29Å; Y242-Q258 VanDerWaalsContact CD1-CD 3.43Å; Y242-Q258 HydrophobicContact CD1-CG 4.33Å; Y242-Q258 HydrophobicContact CE1-CG 4.17Å; Y242-Q258 VanDerWaalsContact CE1-NE2 3.3Å; Y242-F295 HydrophobicContact CD1-CD1 4.32Å; Y242-F295 HydrophobicContact CD1-CE1 4.42Å; Y242-F295 AromaticContact CD2-CD1 3.84Å; Y242-F295 HydrophobicContact CD2-CD1 3.84Å; Y242-F295 AromaticContact CD2-CE1 3.99Å; Y242-F295 HydrophobicContact CD2-CE1 3.99Å; Y242-F295 HydrophobicContact CE1-CD1 4.17Å; Y242-F295 AromaticContact CE2-CD1 3.69Å; Y242-F295 HydrophobicContact CE2-CD1 3.69Å; Y242-F295 HydrophobicContact CE2-CE1 4.33Å; Y242-F295 HydrophobicContact CG-CD1 4.18Å; Y242-F295 HydrophobicContact CG-CE1 4.07Å; Y242-F295 AromaticContact CZ-CD1 3.9Å; Y242-I321 HydrophobicContact CD2-CB 4.13Å; Y242-I321 HydrophobicContact CD2-CG1 3.87Å; Y242-I321 HydrophobicContact CD2-CG2 4.07Å; Y242-I321 HydrophobicContact CE2-CB 4.31Å; Y242-I321 HydrophobicContact CE2-CG1 4.37Å; Y242-I321 HydrophobicContact CE2-CG2 3.74Å
243	S	97.4	Very high	95.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.5	-43.4	178.6	-59.3	0	0	0	0	111.9	N239 L240 D241 M246 M247 I312	N239-S243 WeakPolarHBondContact O-CB 3.4Å; N239-S243 PolarHBondContact O-N 3.32Å; N239-S243 VanDerWaalsContact O-N 3.09Å; N239-S243 PolarHBondContact O-OG 2.94Å; L240-S243 PolarHBondContact O-N 3.44Å; D241-S243 VanDerWaalsContact C-N 3.3Å; D241-S243 PolarHBondContact O-N 3.35Å; S243-M246 PolarHBondContact O-N 3.3Å; S243-M247 WeakPolarHBondContact O-CB 3.41Å; S243-M247 VanDerWaalsContact O-CG 3.27Å; S243-M247 WeakPolarHBondContact O-CG 3.24Å; S243-M247 PolarHBondContact O-N 3.11Å; S243-I312 VanDerWaalsContact OG-CG2 3.28Å; S243-I312 WeakPolarHBondContact OG-CG2 2.94Å
244	F	97.6	Very high	95.2	Very high	7 Å²	7	21.2 Å²	21.2	3%	0.031	11%	0.113	C	C	.	.	H	α-helix	trans	-61.3	-47.9	177.3	-166.8	-80.3	0	0	0	111.4	P124 F176 I208 P210 Y214 L240 D241 Y242 M246 M247 Y248	P124-F244 HydrophobicContact CG-CE1 4.26Å; P124-F244 HydrophobicContact CG-CZ 4.26Å; F176-F244 AromaticContact CD2-CD1 3.87Å; F176-F244 HydrophobicContact CD2-CD1 3.87Å; F176-F244 HydrophobicContact CE2-CB 3.91Å; F176-F244 AromaticContact CE2-CD1 3.36Å; F176-F244 HydrophobicContact CE2-CD1 3.36Å; F176-F244 HydrophobicContact CE2-CE1 4.07Å; F176-F244 AromaticContact CE2-CG 3.79Å; F176-F244 HydrophobicContact CE2-CG 3.79Å; F176-F244 HydrophobicContact CZ-CB 4.11Å; F176-F244 HydrophobicContact CZ-CD1 4.34Å; F176-F244 HydrophobicContact CZ-CG 4.37Å; I208-F244 HydrophobicContact CD1-CD1 4.25Å; I208-F244 HydrophobicContact CD1-CE1 4.18Å; P210-F244 HydrophobicContact CB-CD2 4.13Å; P210-F244 HydrophobicContact CB-CE2 4.09Å; P210-F244 HydrophobicContact CB-CG 4.4Å; P210-F244 HydrophobicContact CB-CZ 4.31Å; Y214-F244 AromaticContact CD1-CD2 3.85Å; Y214-F244 HydrophobicContact CD1-CD2 3.85Å; Y214-F244 AromaticContact CD2-CD2 3.77Å; Y214-F244 HydrophobicContact CD2-CD2 3.77Å; Y214-F244 HydrophobicContact CD2-CE2 4.18Å; Y214-F244 HydrophobicContact CE1-CB 3.82Å; Y214-F244 AromaticContact CE1-CD2 3.77Å; Y214-F244 HydrophobicContact CE1-CD2 3.77Å; Y214-F244 HydrophobicContact CE1-CG 4.23Å; Y214-F244 AromaticContact CE2-CD2 3.71Å; Y214-F244 HydrophobicContact CE2-CD2 3.71Å; Y214-F244 AromaticContact CG-CD2 3.84Å; Y214-F244 HydrophobicContact CG-CD2 3.84Å; Y214-F244 HydrophobicContact CG-CE2 4.22Å; Y214-F244 AromaticContact CZ-CD2 3.71Å; Y214-F244 PolarHBondContact OH-N 3.24Å; L240-F244 PolarHBondContact O-N 2.91Å; D241-F244 PolarHBondContact O-N 3.15Å; Y242-F244 PolarHBondContact O-N 3.45Å; F244-M246 PolarHBondContact O-N 2.86Å; F244-M247 PolarHBondContact O-N 3.11Å; F244-Y248 PolarHBondContact O-N 3.12Å
245	L	98	Very high	95.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.2	-44.2	178.8	173.7	57.4	0	0	0	112.1	P142 I174 F176 I208 D241 Y242 Y248 A249 Y256	P142-L245 HydrophobicContact CB-CD2 4.42Å; P142-L245 HydrophobicContact CG-CD2 4.27Å; I174-L245 HydrophobicContact CB-CD1 3.95Å; I174-L245 HydrophobicContact CG2-CD1 3.59Å; F176-L245 HydrophobicContact CB-CB 4.19Å; F176-L245 HydrophobicContact CB-CD1 4.02Å; F176-L245 HydrophobicContact CB-CD2 4.11Å; F176-L245 HydrophobicContact CB-CG 4.33Å; F176-L245 HydrophobicContact CG-CB 4.28Å; I208-L245 HydrophobicContact CD1-CD1 4.43Å; D241-L245 PolarHBondContact O-N 3.03Å; D241-L245 VanDerWaalsContact O-N 3.13Å; Y242-L245 PolarHBondContact O-N 3.06Å; L245-Y248 PolarHBondContact O-N 3.3Å; L245-A249 WeakPolarHBondContact O-CB 2.93Å; L245-A249 PolarHBondContact O-N 3.47Å; L245-Y256 WeakPolarHBondContact CD2-OH 3.46Å; L245-Y256 HydrophobicContact CG-CE2 4.44Å; L245-Y256 WeakPolarHBondContact CG-OH 3.41Å
246	M	97.2	Very high	95.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.4	-42.7	176.9	-73.1	176	-173.7	0	0	112.2	Y242 S243 F244 Y248 A249 V250 Y256 F295 L305 I308 V309 I312	Y242-M246 WeakPolarHBondContact O-CB 3.47Å; Y242-M246 VanDerWaalsContact O-CG 3.27Å; Y242-M246 WeakPolarHBondContact O-CG 3.23Å; Y242-M246 PolarHBondContact O-N 3.29Å; S243-M246 PolarHBondContact O-N 3.3Å; F244-M246 PolarHBondContact O-N 2.86Å; M246-Y248 VanDerWaalsContact C-N 3.31Å; M246-Y248 PolarHBondContact O-N 3.34Å; M246-A249 PolarHBondContact O-N 2.93Å; M246-A249 VanDerWaalsContact O-N 3.17Å; M246-V250 PolarHBondContact O-N 3.48Å; M246-Y256 HydrophobicContact CE-CE1 3.91Å; M246-Y256 HydrophobicContact CG-CD1 4.29Å; M246-Y256 HydrophobicContact CG-CE1 3.66Å; M246-F295 HydrophobicContact CE-CE1 3.74Å; M246-F295 HydrophobicContact CE-CZ 3.65Å; M246-L305 HydrophobicContact CB-CD1 4.37Å; M246-L305 HydrophobicContact CB-CD2 4.44Å; M246-L305 HydrophobicContact CG-CD2 4.13Å; M246-L305 HydrophobicContact SD-CD2 4.23Å; M246-I308 HydrophobicContact SD-CG2 4.11Å; M246-V309 HydrophobicContact CB-CG2 3.63Å; M246-V309 HydrophobicContact SD-CG2 4.19Å; M246-I312 HydrophobicContact SD-CD1 4.43Å
247	M	94.8	Very high	95.7	Very high	53 Å²	53	18.9 Å²	18.9	26%	0.261	11%	0.105	S	C	.	.	H	α-helix	trans	-60.2	-41.4	175.5	-73.5	-173.4	-59.6	0	0	111.8	I108 L122 Y214 S243 F244 A249 V250 V309 F313	I108-M247 HydrophobicContact CD1-CE 4.27Å; I108-M247 HydrophobicContact CD1-SD 3.97Å; L122-M247 HydrophobicContact CD2-CE 4.35Å; Y214-M247 HydrophobicContact CE2-CE 4.2Å; S243-M247 WeakPolarHBondContact O-CB 3.41Å; S243-M247 VanDerWaalsContact O-CG 3.27Å; S243-M247 WeakPolarHBondContact O-CG 3.24Å; S243-M247 PolarHBondContact O-N 3.11Å; F244-M247 PolarHBondContact O-N 3.11Å; M247-A249 VanDerWaalsContact C-N 3.33Å; M247-V250 VanDerWaalsContact O-CG1 3.3Å; M247-V250 WeakPolarHBondContact O-CG1 3.33Å; M247-V309 HydrophobicContact CG-CG1 3.78Å; M247-V309 HydrophobicContact CG-CG2 4.21Å; M247-V309 HydrophobicContact SD-CG1 4Å; M247-F313 HydrophobicContact CE-CE2 4.34Å; M247-F313 HydrophobicContact CE-CZ 3.8Å; M247-F313 HydrophobicContact SD-CE2 3.92Å; M247-F313 HydrophobicContact SD-CZ 4Å
248	Y	95.8	Very high	95.7	Very high	36 Å²	36	16.8 Å²	16.8	14%	0.141	10%	0.096	C	C	.	.	H	α-helix	trans	-68.5	-32.1	176.6	-179.2	-98.2	0	0	0	112.7	P124 Q127 I174 E206 I208 F244 L245 M246 K252	P124-Y248 HydrophobicContact CG-CD2 4.15Å; P124-Y248 HydrophobicContact CG-CE2 4.2Å; Q127-Y248 PolarHBondContact NE2-OH 3.21Å; Q127-Y248 VanDerWaalsContact NE2-OH 3.11Å; I174-Y248 HydrophobicContact CD1-CD1 3.83Å; I174-Y248 HydrophobicContact CD1-CE1 3.93Å; I174-Y248 HydrophobicContact CG1-CE1 4.45Å; I174-Y248 HydrophobicContact CG2-CD1 3.93Å; I174-Y248 HydrophobicContact CG2-CE1 3.93Å; E206-Y248 WeakPolarHBondContact OE2-CE1 3.27Å; E206-Y248 PolarHBondContact OE2-OH 2.81Å; I208-Y248 HydrophobicContact CD1-CD1 3.6Å; I208-Y248 HydrophobicContact CD1-CD2 4.36Å; I208-Y248 HydrophobicContact CD1-CE1 4.15Å; I208-Y248 HydrophobicContact CD1-CG 3.72Å; I208-Y248 HydrophobicContact CG2-CD1 4.33Å; I208-Y248 HydrophobicContact CG2-CD2 4.47Å; I208-Y248 HydrophobicContact CG2-CE1 3.8Å; I208-Y248 HydrophobicContact CG2-CE2 4Å; F244-Y248 PolarHBondContact O-N 3.12Å; L245-Y248 PolarHBondContact O-N 3.3Å; M246-Y248 VanDerWaalsContact C-N 3.31Å; M246-Y248 PolarHBondContact O-N 3.34Å; Y248-K252 HydrophobicContact CE1-CD 4.23Å
249	A	96.3	Very high	95.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-82.5	-22.1	-176.6	0	0	0	0	0	114.8	V138 I174 L245 M246 M247 S251 K252 Y256	V138-A249 HydrophobicContact CG1-CB 3.9Å; I174-A249 HydrophobicContact CD1-CB 4.01Å; L245-A249 WeakPolarHBondContact O-CB 2.93Å; L245-A249 PolarHBondContact O-N 3.47Å; M246-A249 PolarHBondContact O-N 2.93Å; M246-A249 VanDerWaalsContact O-N 3.17Å; M247-A249 VanDerWaalsContact C-N 3.33Å; A249-S251 PolarHBondContact O-N 2.74Å; A249-K252 WeakPolarHBondContact O-CB 3.27Å; A249-K252 PolarHBondContact O-N 3.17Å; A249-Y256 HydrophobicContact CB-CD2 3.52Å; A249-Y256 HydrophobicContact CB-CE2 3.68Å
250	V	91.6	Very high	95.7	Very high	20 Å²	20	17.1 Å²	17.1	12%	0.121	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-34.1	-167.8	75.2	0	0	0	0	114.7	M246 M247 A302 L305 N306	M246-V250 PolarHBondContact O-N 3.48Å; M247-V250 VanDerWaalsContact O-CG1 3.3Å; M247-V250 WeakPolarHBondContact O-CG1 3.33Å; V250-A302 WeakPolarHBondContact CG2-O 3.38Å; V250-L305 HydrophobicContact CB-CD1 4.45Å; V250-L305 HydrophobicContact CG2-CB 4.27Å; V250-N306 WeakPolarHBondContact CG2-ND2 3.32Å
251	S	88.3	Confident	95.5	Very high	87 Å²	87	17.4 Å²	17.4	61%	0.608	10%	0.099	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	0.5	-174.6	60.4	0	0	0	0	114	A249	A249-S251 PolarHBondContact O-N 2.74Å
252	K	92.7	Very high	95.3	Very high	11 Å²	11	17.2 Å²	17.2	5%	0.048	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-28.8	-169.5	-72.6	179.3	171.4	-78.2	0	114.3	R132 T133 G134 V135 V138 I174 E206 Y248 A249	R132-K252 PolarHBondContact O-NZ 3.16Å; T133-K252 CarbonylContact C-O 3.56Å; T133-K252 WeakPolarHBondContact CA-O 3.41Å; T133-K252 HydrophobicContact CG2-CG 4.22Å; G134-K252 PolarHBondContact N-O 3.25Å; V135-K252 WeakPolarHBondContact CG2-O 3.28Å; V135-K252 PolarHBondContact N-O 2.74Å; V138-K252 HydrophobicContact CG1-CB 4.49Å; V138-K252 HydrophobicContact CG2-CB 3.68Å; I174-K252 HydrophobicContact CD1-CD 3.59Å; E206-K252 VanDerWaalsContact CD-NZ 3.26Å; E206-K252 IonicContact OE1-NZ 2.87Å; E206-K252 PolarHBondContact OE1-NZ 3.15Å; E206-K252 VanDerWaalsContact OE2-CE 3.3Å; E206-K252 WeakPolarHBondContact OE2-CE 3.28Å; E206-K252 IonicContact OE2-NZ 2.81Å; E206-K252 PolarHBondContact OE2-NZ 3.44Å; Y248-K252 HydrophobicContact CE1-CD 4.23Å; A249-K252 WeakPolarHBondContact O-CB 3.27Å; A249-K252 PolarHBondContact O-N 3.17Å
253	G	91	Very high	95.1	Very high	16 Å²	16	16.9 Å²	16.9	17%	0.165	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	-173.9	-178	0	0	0	0	0	114.7	V135 A302	V135-G253 CarbonylContact O-C 3.54Å; V135-G253 WeakPolarHBondContact O-CA 3.47Å; G253-A302 WeakPolarHBondContact O-CB 3.26Å
254	V	92	Very high	94.9	Very high	56 Å²	56	19.3 Å²	19.3	34%	0.339	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	-45.4	-178.3	-177.3	0	0	0	0	111.1	V135 T136 A302	V135-V254 PolarHBondContact O-N 3.42Å; V135-V254 VanDerWaalsContact O-N 3.08Å; T136-V254 PolarHBondContact O-N 3.41Å; V254-A302 WeakPolarHBondContact O-CB 3.35Å; V254-A302 PolarHBondContact O-N 2.85Å
255	Y	97.1	Very high	94.7	Very high	20 Å²	20	19 Å²	19	8%	0.078	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	139.3	-179.5	-56	-66.4	0	0	0	111.5	T136 M137 V138 A277 W285 M299 F300 Q301	T136-Y255 HydrophobicContact CG2-CD2 4.02Å; T136-Y255 HydrophobicContact CG2-CE2 4.24Å; T136-Y255 PolarHBondContact O-N 2.98Å; M137-Y255 WeakPolarHBondContact CA-O 3.25Å; V138-Y255 PolarHBondContact N-O 3.17Å; Y255-A277 HydrophobicContact CE1-CB 4.18Å; Y255-A277 HydrophobicContact CE2-CB 4.06Å; Y255-W285 AromaticContact CD1-CH2 3.98Å; Y255-W285 HydrophobicContact CD1-CH2 3.98Å; Y255-W285 HydrophobicContact CD1-CZ2 4.46Å; Y255-W285 AromaticContact CE1-CH2 3.8Å; Y255-W285 HydrophobicContact CE1-CH2 3.8Å; Y255-W285 AromaticContact CE1-CZ2 3.83Å; Y255-W285 HydrophobicContact CE1-CZ2 3.83Å; Y255-M299 HydrophobicContact CD1-SD 4.3Å; Y255-M299 HydrophobicContact CG-SD 4.12Å; Y255-F300 WeakPolarHBondContact CA-O 3.33Å; Y255-Q301 HydrophobicContact CE1-CG 4.45Å
256	Y	98.4	Very high	94.4	Very high	1 Å²	1	21 Å²	21	0%	0.004	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.1	168.8	174.4	-100.7	0	0	0	109.9	V138 L245 M246 A249 Q258 M299 F300 L305	V138-Y256 HydrophobicContact CB-CD2 4.41Å; V138-Y256 HydrophobicContact CG1-CD2 4.32Å; V138-Y256 CarbonylContact O-C 3.5Å; V138-Y256 WeakPolarHBondContact O-CA 3.48Å; L245-Y256 WeakPolarHBondContact CD2-OH 3.46Å; L245-Y256 HydrophobicContact CG-CE2 4.44Å; L245-Y256 WeakPolarHBondContact CG-OH 3.41Å; M246-Y256 HydrophobicContact CE-CE1 3.91Å; M246-Y256 HydrophobicContact CG-CD1 4.29Å; M246-Y256 HydrophobicContact CG-CE1 3.66Å; A249-Y256 HydrophobicContact CB-CD2 3.52Å; A249-Y256 HydrophobicContact CB-CE2 3.68Å; Y256-Q258 HydrophobicContact CE1-CB 3.94Å; Y256-Q258 PolarHBondContact OH-OE1 3.38Å; Y256-M299 CarbonylContact O-C 3.53Å; Y256-M299 VanDerWaalsContact O-CA 3.25Å; Y256-M299 WeakPolarHBondContact O-CA 3.23Å; Y256-F300 AromaticContact CD1-CD2 3.99Å; Y256-F300 HydrophobicContact CD1-CD2 3.99Å; Y256-F300 PolarHBondContact N-O 2.94Å; Y256-F300 PolarHBondContact O-N 2.98Å; Y256-L305 HydrophobicContact CD1-CD1 4.13Å; Y256-L305 HydrophobicContact CD1-CD2 3.62Å; Y256-L305 HydrophobicContact CD2-CD1 4.25Å; Y256-L305 HydrophobicContact CE1-CD2 4.4Å; Y256-L305 HydrophobicContact CG-CD1 3.72Å; Y256-L305 HydrophobicContact CG-CD2 4.03Å; Y256-L305 HydrophobicContact CG-CG 4.46Å
257	V	98.4	Very high	93.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115.9	176.6	-172.1	0	0	0	0	109.2	M137 V138 M139 G140 L259 M273 K298 M299	M137-V257 HydrophobicContact CG-CG2 3.75Å; M137-V257 HydrophobicContact SD-CG2 3.87Å; V138-V257 PolarHBondContact O-N 3.5Å; M139-V257 WeakPolarHBondContact CA-O 3.36Å; M139-V257 HydrophobicContact CG-CB 4.27Å; G140-V257 PolarHBondContact N-O 2.84Å; V257-L259 HydrophobicContact CG1-CD2 3.98Å; V257-L259 HydrophobicContact CG1-CG 4.19Å; V257-M273 HydrophobicContact CG1-SD 4.43Å; V257-M273 HydrophobicContact CG2-CE 4.4Å; V257-K298 CarbonylContact C-O 3.42Å; V257-K298 WeakPolarHBondContact CA-O 3.32Å; V257-M299 HydrophobicContact CG2-CB 4.07Å; V257-M299 HydrophobicContact CG2-CE 3.48Å; V257-M299 VanDerWaalsContact CG2-CE 3.48Å; V257-M299 HydrophobicContact CG2-CG 4.08Å
258	Q	97.9	Very high	93.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	122.5	172.4	-173.9	61.4	64.3	0	0	110	G140 Y242 Y256 F295 G297 K298 F300	G140-Q258 PolarHBondContact O-NE2 3.02Å; Y242-Q258 VanDerWaalsContact CD1-CD 3.43Å; Y242-Q258 HydrophobicContact CD1-CG 4.33Å; Y242-Q258 HydrophobicContact CE1-CG 4.17Å; Y242-Q258 VanDerWaalsContact CE1-NE2 3.3Å; Y256-Q258 HydrophobicContact CE1-CB 3.94Å; Y256-Q258 PolarHBondContact OH-OE1 3.38Å; Q258-F295 HydrophobicContact CG-CD1 3.68Å; Q258-F295 HydrophobicContact CG-CE1 3.85Å; Q258-F295 HydrophobicContact CG-CG 4.09Å; Q258-F295 HydrophobicContact CG-CZ 4.38Å; Q258-F295 WeakPolarHBondContact CG-O 3.23Å; Q258-G297 WeakPolarHBondContact O-CA 3.35Å; Q258-G297 PolarHBondContact O-N 3.36Å; Q258-K298 HydrophobicContact CB-CB 4.44Å; Q258-K298 PolarHBondContact N-O 3.47Å; Q258-K298 PolarHBondContact O-N 3.4Å; Q258-F300 HydrophobicContact CB-CE2 4.48Å
259	L	97.5	Very high	93.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.155	C	C	.	.			trans	-122.8	177.3	173.9	-61.1	178.4	0	0	0	110.4	M139 G140 I141 P142 L159 V257 I263 F359	M139-L259 HydrophobicContact CB-CD1 4.06Å; M139-L259 HydrophobicContact CG-CD1 4.11Å; M139-L259 HydrophobicContact SD-CD1 3.85Å; G140-L259 PolarHBondContact O-N 2.94Å; I141-L259 HydrophobicContact CG1-CB 4.09Å; I141-L259 HydrophobicContact CG1-CD1 4.42Å; P142-L259 WeakPolarHBondContact CD-O 3.29Å; L159-L259 HydrophobicContact CD1-CD1 3.96Å; L159-L259 HydrophobicContact CD2-CD1 4.11Å; V257-L259 HydrophobicContact CG1-CD2 3.98Å; V257-L259 HydrophobicContact CG1-CG 4.19Å; L259-I263 HydrophobicContact CD1-CD1 4.39Å; L259-I263 HydrophobicContact CD2-CD1 4.16Å; L259-F359 HydrophobicContact CD2-CD1 4.26Å; L259-F359 HydrophobicContact CD2-CD2 4.14Å; L259-F359 HydrophobicContact CD2-CE1 4Å; L259-F359 HydrophobicContact CD2-CE2 3.88Å; L259-F359 HydrophobicContact CD2-CG 4.31Å; L259-F359 HydrophobicContact CD2-CZ 3.79Å
260	E	94.6	Very high	93.5	Very high	36 Å²	36	26.1 Å²	26.1	17%	0.168	16%	0.155	C	C	.	.			trans	-121.9	164.1	172.5	-69	-178.8	-174.3	0	0	109.2	D262 I263 I296 H361	E260-D262 VanDerWaalsContact C-N 3.29Å; E260-D262 PolarHBondContact O-N 2.84Å; E260-I263 HydrophobicContact CB-CG2 4.23Å; E260-I296 HydrophobicContact CB-CG1 4.06Å; E260-I296 HydrophobicContact CG-CD1 4.41Å; E260-I296 HydrophobicContact CG-CG1 3.64Å; E260-I296 WeakPolarHBondContact OE2-CD1 3.36Å; E260-H361 IonicContact OE2-CD2 3.75Å
261	D	94.4	Very high	93.4	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.037	16%	0.158	C	C	.	.	S	Bend	trans	-86	5.3	-175	70.6	-25.9	0	0	0	114.2	I141 T143 R146 Y151 L152 T155	I141-D261 HydrophobicContact CG2-CB 3.77Å; T143-D261 VanDerWaalsContact CB-OD2 3.29Å; T143-D261 WeakPolarHBondContact CB-OD2 3.36Å; T143-D261 PolarHBondContact OG1-OD2 2.82Å; R146-D261 IonicContact CZ-OD1 3.4Å; R146-D261 IonicContact CZ-OD2 2.76Å; R146-D261 IonicContact NH1-OD1 3.45Å; R146-D261 PolarHBondContact NH1-OD1 3.45Å; R146-D261 IonicContact NH1-OD2 3.58Å; R146-D261 PolarHBondContact NH1-OD2 3.04Å; R146-D261 IonicContact NH2-OD1 2.73Å; R146-D261 PolarHBondContact NH2-OD1 3.49Å; R146-D261 IonicContact NH2-OD2 3.83Å; Y151-D261 CarbonylContact C-O 3.59Å; Y151-D261 VanDerWaalsContact CB-O 3.24Å; Y151-D261 WeakPolarHBondContact CB-O 3.48Å; L152-D261 HydrophobicContact CD1-CB 4.07Å; L152-D261 PolarHBondContact N-O 3.33Å; T155-D261 WeakPolarHBondContact CB-O 3.12Å; T155-D261 PolarHBondContact OG1-O 3.21Å
262	D	92.8	Very high	93.4	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.021	13%	0.133	C	C	.	.	S	Bend	trans	-128.8	49.3	-178.5	54.1	10	0	0	0	113.1	R146 Y151 T155 E260 H361 V362 G363	R146-D262 IonicContact CZ-OD2 3.42Å; R146-D262 IonicContact NH2-OD2 3.24Å; R146-D262 PolarHBondContact NH2-OD2 3.2Å; Y151-D262 HydrophobicContact CD2-CB 3.71Å; Y151-D262 HydrophobicContact CG-CB 3.72Å; T155-D262 WeakPolarHBondContact OG1-CA 3.31Å; T155-D262 PolarHBondContact OG1-N 2.82Å; E260-D262 VanDerWaalsContact C-N 3.29Å; E260-D262 PolarHBondContact O-N 2.84Å; D262-H361 CarbonylContact O-C 3.48Å; D262-H361 WeakPolarHBondContact O-CA 3.43Å; D262-H361 IonicContact OD1-CD2 3.77Å; D262-H361 PolarHBondContact OD1-CD2 3.13Å; D262-H361 VanDerWaalsContact OD1-CD2 3.28Å; D262-H361 IonicContact OD1-NE2 2.72Å; D262-H361 IonicContact OD2-CD2 3.83Å; D262-H361 IonicContact OD2-NE2 3.79Å; D262-H361 PolarHBondContact OD2-NE2 2.86Å; D262-V362 WeakPolarHBondContact O-CG2 3.45Å; D262-V362 PolarHBondContact O-N 2.63Å; D262-G363 PolarHBondContact O-N 3.25Å
263	I	94.3	Very high	93.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	159.5	-178.9	65.8	135.2	0	0	0	113.7	T155 L159 L259 E260 I296 F359 Q360	T155-I263 HydrophobicContact CG2-CD1 4.5Å; T155-I263 HydrophobicContact CG2-CG1 3.68Å; T155-I263 PolarHBondContact OG1-N 2.85Å; T155-I263 PolarHBondContact OG1-O 3.17Å; L159-I263 HydrophobicContact CD2-CD1 4.31Å; L259-I263 HydrophobicContact CD1-CD1 4.39Å; L259-I263 HydrophobicContact CD2-CD1 4.16Å; E260-I263 HydrophobicContact CB-CG2 4.23Å; I263-I296 HydrophobicContact CG2-CD1 3.97Å; I263-I296 HydrophobicContact CG2-CG1 4.31Å; I263-I296 HydrophobicContact CG2-CG2 3.89Å; I263-F359 HydrophobicContact CD1-CB 4.26Å; I263-F359 HydrophobicContact CD1-CD1 3.43Å; I263-F359 VanDerWaalsContact CD1-CD1 3.43Å; I263-F359 HydrophobicContact CD1-CE1 4.06Å; I263-F359 HydrophobicContact CD1-CG 4.09Å; I263-Q360 CarbonylContact C-O 3.56Å; I263-Q360 VanDerWaalsContact CA-O 3.24Å; I263-Q360 WeakPolarHBondContact CA-O 3.29Å
264	V	92.2	Very high	93.6	Very high	51 Å²	51	25 Å²	25	31%	0.309	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.8	166.7	174.7	0	0	0	0	109.1	S158 F359 Q360 V362	S158-V264 WeakPolarHBondContact OG-CA 3.06Å; S158-V264 WeakPolarHBondContact OG-CG1 3.45Å; V264-F359 WeakPolarHBondContact O-CA 3.48Å; V264-Q360 PolarHBondContact N-O 2.77Å; V264-Q360 PolarHBondContact O-N 2.73Å; V264-V362 HydrophobicContact CB-CG1 4.31Å; V264-V362 HydrophobicContact CG2-CG1 3.71Å; V264-V362 HydrophobicContact CG2-CG2 4.01Å
265	A	94.4	Very high	93.2	Very high	2 Å²	2	25 Å²	25	2%	0.017	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	149.5	178	0	0	0	0	0	112.5	S158 L159 K162 Y269 L358 F359	S158-A265 PolarHBondContact OG-N 2.9Å; S158-A265 VanDerWaalsContact OG-N 3.16Å; L159-A265 HydrophobicContact CD2-CB 3.77Å; K162-A265 VanDerWaalsContact CD-O 3.28Å; K162-A265 WeakPolarHBondContact CD-O 3.3Å; K162-A265 WeakPolarHBondContact CE-O 3.36Å; K162-A265 PolarHBondContact NZ-O 3.4Å; A265-Y269 HydrophobicContact CB-CD1 3.9Å; A265-Y269 HydrophobicContact CB-CE1 4.26Å; A265-Y269 HydrophobicContact CB-CG 4.16Å; A265-L358 CarbonylContact C-O 3.57Å; A265-L358 WeakPolarHBondContact CA-O 3.32Å; A265-F359 HydrophobicContact CB-CD1 3.82Å; A265-F359 HydrophobicContact CB-CE1 3.79Å
266	K	90.9	Very high	92.7	Very high	40 Å²	40	24.8 Å²	24.8	17%	0.174	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-71.5	154.6	167.7	-79.5	-170.4	174.8	169.5	0	111.9	K162 Y269 S357 L358 F380 K382	K162-K266 WeakPolarHBondContact CD-O 3.12Å; K266-Y269 WeakPolarHBondContact O-CB 3.29Å; K266-Y269 WeakPolarHBondContact O-CD1 3.49Å; K266-Y269 PolarHBondContact O-N 2.89Å; K266-S357 WeakPolarHBondContact CD-O 3.19Å; K266-S357 VanDerWaalsContact CE-O 3.3Å; K266-S357 WeakPolarHBondContact CE-O 3.31Å; K266-S357 PolarHBondContact NZ-O 2.93Å; K266-L358 HydrophobicContact CB-CD2 4.47Å; K266-L358 HydrophobicContact CD-CD2 4.34Å; K266-L358 PolarHBondContact N-O 2.99Å; K266-F380 WeakPolarHBondContact CE-O 3.3Å; K266-F380 HydrophobicContact CG-CD2 4.33Å; K266-F380 HydrophobicContact CG-CE2 3.73Å; K266-F380 HydrophobicContact CG-CZ 4.18Å; K266-F380 PolarHBondContact NZ-O 2.88Å; K266-K382 PolarHBondContact NZ-O 3.32Å
267	P	86.4	Confident	92.2	Very high	91 Å²	91	24.8 Å²	24.8	59%	0.591	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	148.1	166.7	-23.5	34.5	0	0	0	111.5	Y269	P267-Y269 PolarHBondContact O-N 3.33Å; P267-Y269 VanDerWaalsContact O-N 3.13Å
268	N	88.4	Confident	91.4	Very high	106 Å²	106	29 Å²	29	57%	0.567	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	21.1	179.1	-56.3	-19.2	0	0	0	114.9	F270 A271 T272	N268-F270 VanDerWaalsContact C-N 3.26Å; N268-F270 PolarHBondContact O-N 3.41Å; N268-A271 PolarHBondContact O-N 3.4Å; N268-T272 WeakPolarHBondContact O-CB 3.43Å; N268-T272 PolarHBondContact O-N 3.45Å; N268-T272 PolarHBondContact O-OG1 3.45Å
269	Y	95.4	Very high	90.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.4	-40.2	-179.2	77	-83.8	0	0	0	111.3	M139 L159 K162 L163 A265 K266 P267 T272 M273 F359	M139-Y269 HydrophobicContact CE-CE2 4.25Å; M139-Y269 WeakPolarHBondContact CE-OH 3.23Å; M139-Y269 HydrophobicContact SD-CE2 3.67Å; M139-Y269 PolarHBondContact SD-OH 3.25Å; M139-Y269 VanDerWaalsContact SD-OH 3.41Å; L159-Y269 HydrophobicContact CD2-CE1 4.17Å; L159-Y269 HydrophobicContact CD2-CE2 4.03Å; K162-Y269 HydrophobicContact CB-CD1 4.27Å; K162-Y269 HydrophobicContact CB-CE1 4.18Å; L163-Y269 HydrophobicContact CD2-CE1 4.13Å; A265-Y269 HydrophobicContact CB-CD1 3.9Å; A265-Y269 HydrophobicContact CB-CE1 4.26Å; A265-Y269 HydrophobicContact CB-CG 4.16Å; K266-Y269 WeakPolarHBondContact O-CB 3.29Å; K266-Y269 WeakPolarHBondContact O-CD1 3.49Å; K266-Y269 PolarHBondContact O-N 2.89Å; P267-Y269 PolarHBondContact O-N 3.33Å; P267-Y269 VanDerWaalsContact O-N 3.13Å; Y269-T272 PolarHBondContact O-N 3.28Å; Y269-M273 HydrophobicContact CD2-CE 3.5Å; Y269-M273 HydrophobicContact CD2-SD 4.41Å; Y269-M273 HydrophobicContact CE2-CE 3.8Å; Y269-M273 VanDerWaalsContact O-CG 3.26Å; Y269-M273 WeakPolarHBondContact O-CG 3.43Å; Y269-M273 PolarHBondContact O-N 2.94Å; Y269-F359 AromaticContact CD2-CE1 3.82Å; Y269-F359 HydrophobicContact CD2-CE1 3.82Å; Y269-F359 AromaticContact CD2-CZ 3.69Å; Y269-F359 HydrophobicContact CD2-CZ 3.69Å; Y269-F359 HydrophobicContact CE2-CE1 4.27Å; Y269-F359 HydrophobicContact CE2-CZ 4.24Å; Y269-F359 HydrophobicContact CG-CE1 4.29Å; Y269-F359 HydrophobicContact CG-CZ 4.44Å
270	F	95.6	Very high	89.6	Confident	1 Å²	1	32.1 Å²	32.1	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-60.1	-58.3	-180	-176.7	-80.6	0	0	0	111.8	M137 L163 E167 D170 C171 N268 T272 M273 R274	M137-F270 HydrophobicContact CB-CD2 4.48Å; M137-F270 HydrophobicContact CB-CE2 3.65Å; M137-F270 HydrophobicContact CB-CZ 4.18Å; M137-F270 HydrophobicContact CE-CD2 3.94Å; M137-F270 HydrophobicContact CE-CE2 3.88Å; M137-F270 HydrophobicContact CE-CG 4.34Å; M137-F270 HydrophobicContact CE-CZ 4.23Å; M137-F270 HydrophobicContact CG-CE2 4.4Å; M137-F270 HydrophobicContact SD-CD2 3.85Å; M137-F270 HydrophobicContact SD-CE2 3.93Å; L163-F270 HydrophobicContact CD2-CB 3.6Å; L163-F270 HydrophobicContact CD2-CD2 3.86Å; L163-F270 HydrophobicContact CD2-CG 3.91Å; E167-F270 HydrophobicContact CB-CD1 3.88Å; E167-F270 HydrophobicContact CB-CE1 4.06Å; E167-F270 HydrophobicContact CB-CG 4.15Å; E167-F270 HydrophobicContact CB-CZ 4.5Å; E167-F270 HydrophobicContact CG-CD1 3.43Å; E167-F270 VanDerWaalsContact CG-CD1 3.43Å; E167-F270 HydrophobicContact CG-CE1 3.76Å; E167-F270 HydrophobicContact CG-CG 4.1Å; E167-F270 WeakPolarHBondContact OE1-CD1 3.05Å; D170-F270 HydrophobicContact CB-CZ 4.36Å; C171-F270 HydrophobicContact CB-CD2 4.29Å; C171-F270 HydrophobicContact CB-CE2 3.6Å; C171-F270 HydrophobicContact CB-CZ 4.33Å; N268-F270 VanDerWaalsContact C-N 3.26Å; N268-F270 PolarHBondContact O-N 3.41Å; F270-T272 PolarHBondContact O-N 2.63Å; F270-M273 PolarHBondContact O-N 3.48Å; F270-R274 WeakPolarHBondContact O-CB 3.42Å; F270-R274 PolarHBondContact O-N 3.24Å
271	A	88	Confident	88.6	Confident	22 Å²	22	33.8 Å²	33.8	18%	0.182	19%	0.186	C	C	.	.	H	α-helix	trans	-55.7	-40.8	176.8	0	0	0	0	0	112.1	E167 N268 R274 N275	E167-A271 WeakPolarHBondContact OE1-CB 3.39Å; E167-A271 PolarHBondContact OE1-N 3.01Å; N268-A271 PolarHBondContact O-N 3.4Å; A271-R274 PolarHBondContact O-N 3.11Å; A271-N275 VanDerWaalsContact O-CB 3.29Å; A271-N275 WeakPolarHBondContact O-CB 3.4Å; A271-N275 PolarHBondContact O-N 2.76Å; A271-N275 PolarHBondContact O-ND2 3.13Å; A271-N275 PolarHBondContact O-OD1 3.36Å
272	T	89.6	Confident	87.5	Confident	15 Å²	15	38.1 Å²	38.1	9%	0.092	22%	0.217	C	C	.	.	H	α-helix	trans	-62.2	-49.9	178.6	-54.8	0	0	0	0	111.3	N268 Y269 F270 N275 F276 F354 L358	N268-T272 WeakPolarHBondContact O-CB 3.43Å; N268-T272 PolarHBondContact O-N 3.45Å; N268-T272 PolarHBondContact O-OG1 3.45Å; Y269-T272 PolarHBondContact O-N 3.28Å; F270-T272 PolarHBondContact O-N 2.63Å; T272-N275 PolarHBondContact O-N 3.28Å; T272-F276 VanDerWaalsContact O-CB 3.3Å; T272-F276 WeakPolarHBondContact O-CB 3.31Å; T272-F276 PolarHBondContact O-N 2.85Å; T272-F354 HydrophobicContact CG2-CD1 4.43Å; T272-F354 HydrophobicContact CG2-CE1 3.64Å; T272-F354 HydrophobicContact CG2-CE2 3.77Å; T272-F354 HydrophobicContact CG2-CZ 3.24Å; T272-L358 HydrophobicContact CG2-CD1 4.03Å; T272-L358 HydrophobicContact CG2-CD2 4.19Å
273	M	95.3	Very high	86.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.9	-43.3	178.7	-66.2	-170	-52.8	0	0	111.9	M137 V257 Y269 F270 F276 A277 F290 M299 L358 F359	M137-M273 HydrophobicContact CE-CB 4.08Å; M137-M273 HydrophobicContact CE-CE 4.03Å; M137-M273 HydrophobicContact SD-CE 3.36Å; M137-M273 WeakPolarHBondContact SD-CE 3.33Å; V257-M273 HydrophobicContact CG1-SD 4.43Å; V257-M273 HydrophobicContact CG2-CE 4.4Å; Y269-M273 HydrophobicContact CD2-CE 3.5Å; Y269-M273 HydrophobicContact CD2-SD 4.41Å; Y269-M273 HydrophobicContact CE2-CE 3.8Å; Y269-M273 VanDerWaalsContact O-CG 3.26Å; Y269-M273 WeakPolarHBondContact O-CG 3.43Å; Y269-M273 PolarHBondContact O-N 2.94Å; F270-M273 PolarHBondContact O-N 3.48Å; M273-F276 PolarHBondContact O-N 3.19Å; M273-A277 WeakPolarHBondContact O-CB 3.39Å; M273-A277 PolarHBondContact O-N 2.03Å; M273-F290 HydrophobicContact CB-CE1 3.99Å; M273-F290 HydrophobicContact CB-CE2 4.01Å; M273-F290 HydrophobicContact CB-CZ 3.67Å; M273-F290 HydrophobicContact CG-CD1 3.64Å; M273-F290 HydrophobicContact CG-CD2 3.8Å; M273-F290 HydrophobicContact CG-CE1 3.55Å; M273-F290 HydrophobicContact CG-CE2 3.7Å; M273-F290 HydrophobicContact CG-CG 3.76Å; M273-F290 HydrophobicContact CG-CZ 3.57Å; M273-F290 HydrophobicContact SD-CB 4.34Å; M273-F290 HydrophobicContact SD-CD1 4.34Å; M273-F290 HydrophobicContact SD-CD2 3.59Å; M273-F290 VanDerWaalsContact SD-CD2 3.59Å; M273-F290 HydrophobicContact SD-CE2 3.88Å; M273-F290 HydrophobicContact SD-CG 3.83Å; M273-F290 HydrophobicContact SD-CZ 4.38Å; M273-M299 HydrophobicContact CB-CE 3.75Å; M273-M299 HydrophobicContact SD-CE 4.41Å; M273-L358 HydrophobicContact CG-CD1 3.47Å; M273-L358 VanDerWaalsContact CG-CD1 3.47Å; M273-L358 HydrophobicContact SD-CD1 4.31Å; M273-F359 HydrophobicContact CE-CZ 4.13Å; M273-F359 HydrophobicContact SD-CE2 3.72Å; M273-F359 HydrophobicContact SD-CZ 3.75Å
274	R	91.1	Very high	86.3	Confident	73 Å²	73	50.1 Å²	50.1	28%	0.275	28%	0.278	S	S	.	.	H	α-helix	trans	-60.6	-49.3	178	-177.6	177.9	67.4	-170.1	-2.9	111.3	T136 M137 D170 F270 A271 F276 A277 L278	T136-R274 HydrophobicContact CG2-CG 4.2Å; M137-R274 HydrophobicContact CE-CB 4.28Å; D170-R274 IonicContact OD2-NH1 2.7Å; F270-R274 WeakPolarHBondContact O-CB 3.42Å; F270-R274 PolarHBondContact O-N 3.24Å; A271-R274 PolarHBondContact O-N 3.11Å; R274-F276 VanDerWaalsContact C-N 3.33Å; R274-F276 PolarHBondContact O-N 3.47Å; R274-A277 PolarHBondContact O-N 2.81Å; R274-L278 HydrophobicContact CG-CD1 4.1Å; R274-L278 VanDerWaalsContact O-CG 3.29Å; R274-L278 WeakPolarHBondContact O-CG 3.06Å; R274-L278 PolarHBondContact O-N 3.31Å
275	N	83.7	Confident	86.3	Confident	57 Å²	57	47.9 Å²	47.9	31%	0.305	26%	0.264	S	S	.	.	H	α-helix	trans	-64.9	-39.9	-179.2	-67.9	-12.4	0	0	0	111.3	A271 T272 L278 Q279	A271-N275 VanDerWaalsContact O-CB 3.29Å; A271-N275 WeakPolarHBondContact O-CB 3.4Å; A271-N275 PolarHBondContact O-N 2.76Å; A271-N275 PolarHBondContact O-ND2 3.13Å; A271-N275 PolarHBondContact O-OD1 3.36Å; T272-N275 PolarHBondContact O-N 3.28Å; N275-L278 PolarHBondContact O-N 3.2Å; N275-Q279 VanDerWaalsContact O-CG 3.32Å; N275-Q279 WeakPolarHBondContact O-CG 3.36Å; N275-Q279 PolarHBondContact O-N 3.42Å
276	F	87.3	Confident	86.2	Confident	15 Å²	15	48 Å²	48	7%	0.066	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-44	176.8	-171.2	-117.9	0	0	0	112.4	T272 M273 R274 L278 Q279 L280 L288 F290 V352 F354	T272-F276 VanDerWaalsContact O-CB 3.3Å; T272-F276 WeakPolarHBondContact O-CB 3.31Å; T272-F276 PolarHBondContact O-N 2.85Å; M273-F276 PolarHBondContact O-N 3.19Å; R274-F276 VanDerWaalsContact C-N 3.33Å; R274-F276 PolarHBondContact O-N 3.47Å; F276-L278 VanDerWaalsContact C-N 3.34Å; F276-L278 PolarHBondContact O-N 3.24Å; F276-Q279 PolarHBondContact O-N 2.71Å; F276-L280 HydrophobicContact CD1-CD1 4.21Å; F276-L280 HydrophobicContact CE1-CD1 3.75Å; F276-L280 HydrophobicContact CE2-CD1 4.09Å; F276-L280 HydrophobicContact CZ-CD1 3.7Å; F276-L280 PolarHBondContact O-N 2.69Å; F276-L288 HydrophobicContact CD1-CD1 4.12Å; F276-L288 HydrophobicContact CE1-CB 4.44Å; F276-L288 HydrophobicContact CE1-CD1 4.48Å; F276-L288 HydrophobicContact CE1-CD2 4.14Å; F276-F290 HydrophobicContact CB-CE1 4.26Å; F276-F290 HydrophobicContact CB-CZ 4.44Å; F276-F290 AromaticContact CD1-CE1 3.69Å; F276-F290 HydrophobicContact CD1-CE1 3.69Å; F276-F290 AromaticContact CD1-CZ 3.74Å; F276-F290 HydrophobicContact CD1-CZ 3.74Å; F276-F290 HydrophobicContact CE1-CE1 4.45Å; F276-F290 HydrophobicContact CG-CE1 4.28Å; F276-V352 HydrophobicContact CE1-CG1 4.39Å; F276-V352 HydrophobicContact CZ-CG1 3.89Å; F276-F354 HydrophobicContact CB-CD2 4.28Å; F276-F354 HydrophobicContact CD1-CB 4.07Å; F276-F354 HydrophobicContact CD1-CD2 4.17Å; F276-F354 AromaticContact CD2-CD2 3.66Å; F276-F354 HydrophobicContact CD2-CD2 3.66Å; F276-F354 HydrophobicContact CD2-CE2 4.3Å; F276-F354 HydrophobicContact CE1-CB 3.85Å; F276-F354 HydrophobicContact CE1-CD2 4.4Å; F276-F354 AromaticContact CE2-CD2 3.92Å; F276-F354 HydrophobicContact CE2-CD2 3.92Å; F276-F354 AromaticContact CG-CD2 3.77Å; F276-F354 HydrophobicContact CG-CD2 3.77Å; F276-F354 HydrophobicContact CZ-CB 4.14Å; F276-F354 HydrophobicContact CZ-CD2 4.27Å
277	A	88	Confident	86.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.7	-39.3	174.8	0	0	0	0	0	112.4	Y255 M273 R274 L280 S281 L288 M299	Y255-A277 HydrophobicContact CE1-CB 4.18Å; Y255-A277 HydrophobicContact CE2-CB 4.06Å; M273-A277 WeakPolarHBondContact O-CB 3.39Å; M273-A277 PolarHBondContact O-N 2.03Å; R274-A277 PolarHBondContact O-N 2.81Å; A277-L280 PolarHBondContact O-N 3.05Å; A277-S281 PolarHBondContact O-N 2.81Å; A277-L288 HydrophobicContact CB-CD1 3.8Å; A277-M299 HydrophobicContact CB-SD 4.01Å
278	L	81.4	Confident	87	Confident	90 Å²	90	41.8 Å²	41.8	47%	0.471	23%	0.228	S	C	.	.	H	α-helix	trans	-66.4	-39.4	177.1	-72.8	171.8	0	0	0	112.7	R274 N275 F276 L280 S281	R274-L278 HydrophobicContact CG-CD1 4.1Å; R274-L278 VanDerWaalsContact O-CG 3.29Å; R274-L278 WeakPolarHBondContact O-CG 3.06Å; R274-L278 PolarHBondContact O-N 3.31Å; N275-L278 PolarHBondContact O-N 3.2Å; F276-L278 VanDerWaalsContact C-N 3.34Å; F276-L278 PolarHBondContact O-N 3.24Å; L278-L280 VanDerWaalsContact C-N 3.27Å; L278-L280 PolarHBondContact O-N 3.22Å; L278-S281 VanDerWaalsContact O-CB 3.24Å; L278-S281 WeakPolarHBondContact O-CB 3.09Å; L278-S281 PolarHBondContact O-N 2.97Å; L278-S281 PolarHBondContact O-OG 3.18Å
279	Q	76	Confident	87.3	Confident	47 Å²	47	37.4 Å²	37.4	22%	0.22	20%	0.204	C	C	.	.	H	α-helix	trans	-58.7	-41.8	174.7	-76.6	165.8	-22.3	0	0	111.1	N275 F276 S281 L413 G414	N275-Q279 VanDerWaalsContact O-CG 3.32Å; N275-Q279 WeakPolarHBondContact O-CG 3.36Å; N275-Q279 PolarHBondContact O-N 3.42Å; F276-Q279 PolarHBondContact O-N 2.71Å; Q279-S281 VanDerWaalsContact C-N 3.26Å; Q279-S281 PolarHBondContact O-N 2.91Å; Q279-L413 PolarHBondContact NE2-O 3.05Å; Q279-G414 PolarHBondContact NE2-O 2.91Å
280	L	80.9	Confident	87.3	Confident	18 Å²	18	37.4 Å²	37.4	9%	0.094	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-85.3	13.5	-179.2	-61.3	173.8	0	0	0	113.8	F276 A277 L278 S282 E283 W285 L288 V352	F276-L280 HydrophobicContact CD1-CD1 4.21Å; F276-L280 HydrophobicContact CE1-CD1 3.75Å; F276-L280 HydrophobicContact CE2-CD1 4.09Å; F276-L280 HydrophobicContact CZ-CD1 3.7Å; F276-L280 PolarHBondContact O-N 2.69Å; A277-L280 PolarHBondContact O-N 3.05Å; L278-L280 VanDerWaalsContact C-N 3.27Å; L278-L280 PolarHBondContact O-N 3.22Å; L280-S282 VanDerWaalsContact C-N 3.25Å; L280-S282 PolarHBondContact O-N 3.24Å; L280-E283 HydrophobicContact CD2-CG 4.18Å; L280-E283 PolarHBondContact O-N 3.23Å; L280-W285 VanDerWaalsContact O-CD1 3.23Å; L280-W285 PolarHBondContact O-NE1 2.72Å; L280-W285 VanDerWaalsContact O-NE1 3.16Å; L280-L288 HydrophobicContact CD1-CD1 4.48Å; L280-L288 HydrophobicContact CD1-CD2 3.56Å; L280-V352 HydrophobicContact CD1-CB 4.17Å; L280-V352 HydrophobicContact CD1-CG1 3.89Å; L280-V352 HydrophobicContact CD1-CG2 4.48Å
281	S	73.8	Confident	87.1	Confident	70 Å²	70	37.4 Å²	37.4	49%	0.49	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-67.6	-20.4	-174.2	58.8	0	0	0	0	114.8	A277 L278 Q279	A277-S281 PolarHBondContact O-N 2.81Å; L278-S281 VanDerWaalsContact O-CB 3.24Å; L278-S281 WeakPolarHBondContact O-CB 3.09Å; L278-S281 PolarHBondContact O-N 2.97Å; L278-S281 PolarHBondContact O-OG 3.18Å; Q279-S281 VanDerWaalsContact C-N 3.26Å; Q279-S281 PolarHBondContact O-N 2.91Å
282	S	71.1	Confident	87	Confident	98 Å²	98	39.4 Å²	39.4	69%	0.685	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-84.1	-18.4	171.7	54.8	0	0	0	0	113.6	L280	L280-S282 VanDerWaalsContact C-N 3.25Å; L280-S282 PolarHBondContact O-N 3.24Å
283	E	79	Confident	86.6	Confident	120 Å²	120	39.9 Å²	39.9	56%	0.561	21%	0.211	S	C	*	.	S	Bend	trans	-89.2	149.6	-175.6	-57.8	-55.8	131.5	0	0	110.8	L280 W285	L280-E283 HydrophobicContact CD2-CG 4.18Å; L280-E283 PolarHBondContact O-N 3.23Å; E283-W285 PolarHBondContact O-N 3.29Å
284	D	83.4	Confident	85.8	Confident	136 Å²	136	41.7 Å²	41.7	73%	0.727	23%	0.23	S	C	*	.			trans	-87.6	89.5	172.3	-169.3	28.7	0	0	0	109.1	L350	D284-L350 VanDerWaalsContact O-CD2 3.25Å; D284-L350 WeakPolarHBondContact O-CD2 3.46Å
285	W	92.7	Very high	85.5	Confident	5 Å²	5	38.3 Å²	38.3	2%	0.019	22%	0.217	C	C	.	.			trans	-112.6	150.6	175.1	60.8	-94.1	0	0	0	111	Y255 L280 E283 L288 Q301 V352	Y255-W285 AromaticContact CD1-CH2 3.98Å; Y255-W285 HydrophobicContact CD1-CH2 3.98Å; Y255-W285 HydrophobicContact CD1-CZ2 4.46Å; Y255-W285 AromaticContact CE1-CH2 3.8Å; Y255-W285 HydrophobicContact CE1-CH2 3.8Å; Y255-W285 AromaticContact CE1-CZ2 3.83Å; Y255-W285 HydrophobicContact CE1-CZ2 3.83Å; L280-W285 VanDerWaalsContact O-CD1 3.23Å; L280-W285 PolarHBondContact O-NE1 2.72Å; L280-W285 VanDerWaalsContact O-NE1 3.16Å; E283-W285 PolarHBondContact O-N 3.29Å; W285-L288 HydrophobicContact CB-CD2 4.25Å; W285-L288 HydrophobicContact CD2-CD1 4.23Å; W285-L288 HydrophobicContact CD2-CD2 3.72Å; W285-L288 HydrophobicContact CD2-CG 3.88Å; W285-L288 HydrophobicContact CE3-CD1 4.28Å; W285-L288 HydrophobicContact CE3-CD2 3.86Å; W285-L288 HydrophobicContact CE3-CG 3.64Å; W285-L288 HydrophobicContact CG-CD2 3.89Å; W285-L288 HydrophobicContact CH2-CD1 3.99Å; W285-L288 HydrophobicContact CH2-CG 4.14Å; W285-L288 HydrophobicContact CZ2-CD1 3.94Å; W285-L288 HydrophobicContact CZ2-CG 4.36Å; W285-L288 HydrophobicContact CZ3-CD1 4.17Å; W285-L288 HydrophobicContact CZ3-CG 3.79Å; W285-Q301 HydrophobicContact CH2-CG 3.49Å; W285-Q301 VanDerWaalsContact CH2-CG 3.49Å; W285-Q301 HydrophobicContact CZ2-CG 3.97Å; W285-Q301 HydrophobicContact CZ3-CG 3.9Å; W285-V352 HydrophobicContact CB-CG2 4.18Å
286	M	93.1	Very high	85.9	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.02	20%	0.203	C	C	.	.	S	Bend	trans	-109.9	-34.6	177.6	-173.6	169.6	-170.7	0	0	112.7	L307 I308 I328 L329 K332 L350	M286-L307 HydrophobicContact CE-CD2 3.66Å; M286-I308 HydrophobicContact CE-CD1 4.38Å; M286-I308 HydrophobicContact CE-CG1 3.95Å; M286-I328 HydrophobicContact CE-CG2 3.49Å; M286-I328 VanDerWaalsContact CE-CG2 3.49Å; M286-I328 HydrophobicContact SD-CG2 3.85Å; M286-L329 HydrophobicContact CB-CD2 4.41Å; M286-L329 HydrophobicContact SD-CD2 4.11Å; M286-K332 HydrophobicContact SD-CD 3.72Å; M286-K332 PolarHBondContact SD-NZ 3.27Å; M286-K332 VanDerWaalsContact SD-NZ 3.42Å; M286-L350 HydrophobicContact CB-CB 4.25Å; M286-L350 PolarHBondContact N-O 2.98Å
287	I	95.9	Very high	86.3	Confident	1 Å²	1	35 Å²	35	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	123.3	-174.7	-43.9	-177.1	0	0	0	109.1	E289 K298 M299 F300 L325 L329 L350 R351 V352	I287-E289 HydrophobicContact CG2-CG 4.41Å; I287-K298 HydrophobicContact CG2-CB 4.27Å; I287-K298 HydrophobicContact CG2-CD 4.13Å; I287-M299 WeakPolarHBondContact CA-O 3.48Å; I287-F300 HydrophobicContact CB-CE1 4.29Å; I287-F300 HydrophobicContact CD1-CE1 4Å; I287-F300 HydrophobicContact CG1-CD1 4.22Å; I287-F300 HydrophobicContact CG1-CE1 3.71Å; I287-F300 HydrophobicContact CG2-CE1 3.95Å; I287-F300 HydrophobicContact CG2-CZ 4.22Å; I287-L325 HydrophobicContact CD1-CD1 3.58Å; I287-L325 HydrophobicContact CD1-CD2 3.73Å; I287-L325 HydrophobicContact CD1-CG 3.51Å; I287-L329 HydrophobicContact CD1-CD1 4.15Å; I287-L329 HydrophobicContact CD1-CD2 4.18Å; I287-L329 HydrophobicContact CD1-CG 4.31Å; I287-L350 PolarHBondContact N-O 3.26Å; I287-R351 HydrophobicContact CB-CG 4.33Å; I287-R351 CarbonylContact O-C 3.48Å; I287-R351 WeakPolarHBondContact O-CA 3.49Å; I287-V352 PolarHBondContact O-N 3.49Å
288	L	96.6	Very high	86.7	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.8	166	-52	179.9	0	0	0	109.5	F276 A277 L280 W285 F290 M299 V352	F276-L288 HydrophobicContact CD1-CD1 4.12Å; F276-L288 HydrophobicContact CE1-CB 4.44Å; F276-L288 HydrophobicContact CE1-CD1 4.48Å; F276-L288 HydrophobicContact CE1-CD2 4.14Å; A277-L288 HydrophobicContact CB-CD1 3.8Å; L280-L288 HydrophobicContact CD1-CD1 4.48Å; L280-L288 HydrophobicContact CD1-CD2 3.56Å; W285-L288 HydrophobicContact CB-CD2 4.25Å; W285-L288 HydrophobicContact CD2-CD1 4.23Å; W285-L288 HydrophobicContact CD2-CD2 3.72Å; W285-L288 HydrophobicContact CD2-CG 3.88Å; W285-L288 HydrophobicContact CE3-CD1 4.28Å; W285-L288 HydrophobicContact CE3-CD2 3.86Å; W285-L288 HydrophobicContact CE3-CG 3.64Å; W285-L288 HydrophobicContact CG-CD2 3.89Å; W285-L288 HydrophobicContact CH2-CD1 3.99Å; W285-L288 HydrophobicContact CH2-CG 4.14Å; W285-L288 HydrophobicContact CZ2-CD1 3.94Å; W285-L288 HydrophobicContact CZ2-CG 4.36Å; W285-L288 HydrophobicContact CZ3-CD1 4.17Å; W285-L288 HydrophobicContact CZ3-CG 3.79Å; L288-F290 HydrophobicContact CB-CE2 3.89Å; L288-F290 HydrophobicContact CB-CZ 4.11Å; L288-M299 HydrophobicContact CB-CB 4.17Å; L288-M299 HydrophobicContact CD1-SD 4.09Å; L288-M299 PolarHBondContact N-O 3.42Å; L288-M299 PolarHBondContact O-N 3.37Å; L288-V352 CarbonylContact C-O 3.54Å; L288-V352 WeakPolarHBondContact CA-O 3.13Å; L288-V352 HydrophobicContact CD2-CB 3.85Å; L288-V352 HydrophobicContact CD2-CG2 4.42Å
289	E	95.4	Very high	87.5	Confident	13 Å²	13	30.9 Å²	30.9	6%	0.061	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.4	-179.2	-55	-168.2	132.1	0	0	111.7	I287 K298 R351 V352 R353 F354	I287-E289 HydrophobicContact CG2-CG 4.41Å; E289-K298 HydrophobicContact CB-CD 4.33Å; E289-K298 HydrophobicContact CG-CD 3.81Å; E289-K298 VanDerWaalsContact OE1-CE 3.26Å; E289-K298 WeakPolarHBondContact OE1-CE 3.17Å; E289-R351 HydrophobicContact CG-CG 3.84Å; E289-R351 WeakPolarHBondContact OE1-CD 3.37Å; E289-V352 PolarHBondContact N-O 3.31Å; E289-R353 HydrophobicContact CB-CB 4.21Å; E289-R353 HydrophobicContact CB-CG 4.16Å; E289-R353 IonicContact OE2-CZ 3.74Å; E289-R353 VanDerWaalsContact OE2-CZ 3.28Å; E289-R353 IonicContact OE2-NE 3.73Å; E289-R353 PolarHBondContact OE2-NE 3.22Å; E289-R353 IonicContact OE2-NH2 3.24Å; E289-R353 PolarHBondContact OE2-NH2 3.35Å; E289-F354 PolarHBondContact O-N 3.23Å
290	F	95.8	Very high	88.5	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-114.4	4.5	175.1	-58.3	-78.1	0	0	0	113.3	M273 F276 L288 G297 M299 F354 S357 L358 F359	M273-F290 HydrophobicContact CB-CE1 3.99Å; M273-F290 HydrophobicContact CB-CE2 4.01Å; M273-F290 HydrophobicContact CB-CZ 3.67Å; M273-F290 HydrophobicContact CG-CD1 3.64Å; M273-F290 HydrophobicContact CG-CD2 3.8Å; M273-F290 HydrophobicContact CG-CE1 3.55Å; M273-F290 HydrophobicContact CG-CE2 3.7Å; M273-F290 HydrophobicContact CG-CG 3.76Å; M273-F290 HydrophobicContact CG-CZ 3.57Å; M273-F290 HydrophobicContact SD-CB 4.34Å; M273-F290 HydrophobicContact SD-CD1 4.34Å; M273-F290 HydrophobicContact SD-CD2 3.59Å; M273-F290 VanDerWaalsContact SD-CD2 3.59Å; M273-F290 HydrophobicContact SD-CE2 3.88Å; M273-F290 HydrophobicContact SD-CG 3.83Å; M273-F290 HydrophobicContact SD-CZ 4.38Å; F276-F290 HydrophobicContact CB-CE1 4.26Å; F276-F290 HydrophobicContact CB-CZ 4.44Å; F276-F290 AromaticContact CD1-CE1 3.69Å; F276-F290 HydrophobicContact CD1-CE1 3.69Å; F276-F290 AromaticContact CD1-CZ 3.74Å; F276-F290 HydrophobicContact CD1-CZ 3.74Å; F276-F290 HydrophobicContact CE1-CE1 4.45Å; F276-F290 HydrophobicContact CG-CE1 4.28Å; L288-F290 HydrophobicContact CB-CE2 3.89Å; L288-F290 HydrophobicContact CB-CZ 4.11Å; F290-G297 PolarHBondContact N-O 2.68Å; F290-M299 HydrophobicContact CD2-CB 4.33Å; F290-M299 HydrophobicContact CE2-CB 3.76Å; F290-M299 HydrophobicContact CE2-CE 4.08Å; F290-M299 HydrophobicContact CE2-SD 4.05Å; F290-M299 HydrophobicContact CZ-SD 4.43Å; F290-F354 HydrophobicContact CD1-CB 3.48Å; F290-F354 VanDerWaalsContact CD1-CB 3.48Å; F290-F354 HydrophobicContact CD1-CD1 4.03Å; F290-F354 AromaticContact CD1-CG 3.85Å; F290-F354 HydrophobicContact CD1-CG 3.85Å; F290-F354 HydrophobicContact CE1-CB 3.61Å; F290-F354 HydrophobicContact CE1-CD1 4.46Å; F290-F354 HydrophobicContact CE1-CD2 4.45Å; F290-F354 AromaticContact CE1-CG 3.93Å; F290-F354 HydrophobicContact CE1-CG 3.93Å; F290-S357 CarbonylContact O-C 3.43Å; F290-S357 WeakPolarHBondContact O-CA 3.43Å; F290-L358 HydrophobicContact CB-CB 4.26Å; F290-L358 HydrophobicContact CB-CD1 4.17Å; F290-L358 HydrophobicContact CB-CG 4.3Å; F290-L358 HydrophobicContact CD1-CD1 3.55Å; F290-L358 HydrophobicContact CD1-CG 4.22Å; F290-L358 HydrophobicContact CE1-CD1 4.26Å; F290-L358 HydrophobicContact CG-CD1 4.1Å; F290-L358 PolarHBondContact O-N 3.35Å; F290-F359 HydrophobicContact CB-CD2 4Å; F290-F359 HydrophobicContact CB-CE2 3.85Å
291	S	91.8	Very high	89.1	Confident	1 Å²	1	30 Å²	30	1%	0.007	17%	0.174	C	C	.	.			trans	-149.4	147.2	165.3	176.7	0	0	0	0	109.9	L293 K298 D377	S291-L293 VanDerWaalsContact C-N 3.28Å; S291-L293 PolarHBondContact OG-N 3.24Å; S291-L293 VanDerWaalsContact OG-N 3.13Å; S291-K298 PolarHBondContact O-NZ 3.26Å; S291-D377 PolarHBondContact OG-OD2 3.43Å
292	Q	84.3	Confident	89.8	Confident	65 Å²	65	26.8 Å²	26.8	30%	0.304	15%	0.152	S	C	.	.	S	Bend	trans	-79.8	-13.3	174.1	-52	-162.8	-0.2	0	0	112.9	D377 D379	Q292-D377 PolarHBondContact N-OD2 2.71Å; Q292-D379 PolarHBondContact NE2-OD2 2.97Å
293	L	81.8	Confident	90.5	Very high	24 Å²	24	23.4 Å²	23.4	13%	0.126	13%	0.127	C	C	.	.	S	Bend	trans	-89.2	120	-172.1	-60.4	-179.9	0	0	0	111.1	S291 F295 I296 H361 L375 D377	S291-L293 VanDerWaalsContact C-N 3.28Å; S291-L293 PolarHBondContact OG-N 3.24Å; S291-L293 VanDerWaalsContact OG-N 3.13Å; L293-F295 PolarHBondContact O-N 2.9Å; L293-I296 HydrophobicContact CB-CD1 4.26Å; L293-I296 WeakPolarHBondContact O-CB 3.31Å; L293-I296 PolarHBondContact O-N 2.98Å; L293-H361 HydrophobicContact CD1-CB 3.9Å; L293-L375 HydrophobicContact CD1-CB 3.93Å; L293-L375 HydrophobicContact CD2-CB 4.25Å; L293-L375 HydrophobicContact CD2-CD2 4.45Å; L293-D377 HydrophobicContact CD1-CB 3.83Å; L293-D377 HydrophobicContact CG-CB 3.99Å
294	G	78.6	Confident	91.1	Very high	39 Å²	39	18.8 Å²	18.8	40%	0.402	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	-133.3	168.4	0	0	0	0	0	113.3	K298 D322	G294-K298 WeakPolarHBondContact O-CE 3.32Å; G294-K298 PolarHBondContact O-NZ 3Å; G294-D322 WeakPolarHBondContact CA-OD1 3.38Å
295	F	85.6	Confident	91.5	Very high	1 Å²	1	12.4 Å²	12.4	0%	0.004	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	13.3	-178.3	-152.1	-153.1	0	0	0	113.6	Y242 M246 Q258 L293 K298 F300 I321 D322 L325	Y242-F295 HydrophobicContact CD1-CD1 4.32Å; Y242-F295 HydrophobicContact CD1-CE1 4.42Å; Y242-F295 AromaticContact CD2-CD1 3.84Å; Y242-F295 HydrophobicContact CD2-CD1 3.84Å; Y242-F295 AromaticContact CD2-CE1 3.99Å; Y242-F295 HydrophobicContact CD2-CE1 3.99Å; Y242-F295 HydrophobicContact CE1-CD1 4.17Å; Y242-F295 AromaticContact CE2-CD1 3.69Å; Y242-F295 HydrophobicContact CE2-CD1 3.69Å; Y242-F295 HydrophobicContact CE2-CE1 4.33Å; Y242-F295 HydrophobicContact CG-CD1 4.18Å; Y242-F295 HydrophobicContact CG-CE1 4.07Å; Y242-F295 AromaticContact CZ-CD1 3.9Å; M246-F295 HydrophobicContact CE-CE1 3.74Å; M246-F295 HydrophobicContact CE-CZ 3.65Å; Q258-F295 HydrophobicContact CG-CD1 3.68Å; Q258-F295 HydrophobicContact CG-CE1 3.85Å; Q258-F295 HydrophobicContact CG-CG 4.09Å; Q258-F295 HydrophobicContact CG-CZ 4.38Å; Q258-F295 WeakPolarHBondContact CG-O 3.23Å; L293-F295 PolarHBondContact O-N 2.9Å; F295-K298 HydrophobicContact CD2-CB 4.29Å; F295-K298 HydrophobicContact CD2-CG 3.7Å; F295-K298 HydrophobicContact CE2-CB 4.23Å; F295-K298 HydrophobicContact CE2-CG 4.07Å; F295-F300 HydrophobicContact CE2-CE2 4.28Å; F295-F300 AromaticContact CE2-CZ 3.9Å; F295-F300 HydrophobicContact CE2-CZ 3.9Å; F295-F300 HydrophobicContact CZ-CE2 4.38Å; F295-F300 HydrophobicContact CZ-CZ 4.2Å; F295-I321 HydrophobicContact CB-CG2 4.2Å; F295-I321 HydrophobicContact CD1-CB 4.36Å; F295-I321 HydrophobicContact CD1-CG1 3.61Å; F295-I321 HydrophobicContact CD1-CG2 3.76Å; F295-I321 HydrophobicContact CE1-CB 4.49Å; F295-I321 HydrophobicContact CE1-CD1 4.14Å; F295-I321 HydrophobicContact CE1-CG1 3.32Å; F295-I321 HydrophobicContact CE1-CG2 4.37Å; F295-I321 HydrophobicContact CG-CG1 4.36Å; F295-I321 HydrophobicContact CG-CG2 4.08Å; F295-I321 HydrophobicContact CZ-CD1 4.48Å; F295-I321 HydrophobicContact CZ-CG1 3.86Å; F295-D322 PolarHBondContact N-OD1 3.45Å; F295-D322 VanDerWaalsContact N-OD1 3.1Å; F295-L325 HydrophobicContact CD2-CD2 3.96Å; F295-L325 HydrophobicContact CE2-CD1 4.26Å; F295-L325 HydrophobicContact CE2-CD2 3.53Å; F295-L325 HydrophobicContact CE2-CG 4.38Å
296	I	91.4	Very high	91.4	Very high	2 Å²	2	14 Å²	14	1%	0.01	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	139.9	-180	-57.1	165.2	0	0	0	110.3	E260 I263 L293 K298 F359 H361	E260-I296 HydrophobicContact CB-CG1 4.06Å; E260-I296 HydrophobicContact CG-CD1 4.41Å; E260-I296 HydrophobicContact CG-CG1 3.64Å; E260-I296 WeakPolarHBondContact OE2-CD1 3.36Å; I263-I296 HydrophobicContact CG2-CD1 3.97Å; I263-I296 HydrophobicContact CG2-CG1 4.31Å; I263-I296 HydrophobicContact CG2-CG2 3.89Å; L293-I296 HydrophobicContact CB-CD1 4.26Å; L293-I296 WeakPolarHBondContact O-CB 3.31Å; L293-I296 PolarHBondContact O-N 2.98Å; I296-K298 VanDerWaalsContact C-N 3.27Å; I296-K298 PolarHBondContact O-N 2.91Å; I296-K298 PolarHBondContact O-NZ 3.1Å; I296-F359 HydrophobicContact CG2-CB 3.86Å; I296-F359 HydrophobicContact CG2-CG 4.41Å; I296-H361 HydrophobicContact CD1-CB 3.88Å
297	G	95	Very high	91.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	33.7	170.5	0	0	0	0	0	112.7	Q258 F290	Q258-G297 WeakPolarHBondContact O-CA 3.35Å; Q258-G297 PolarHBondContact O-N 3.36Å; F290-G297 PolarHBondContact N-O 2.68Å
298	K	96.9	Very high	91.2	Very high	5 Å²	5	17.2 Å²	17.2	2%	0.022	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	115.8	174.7	-57.1	-58.2	-176.9	-71.7	0	108.8	V257 Q258 I287 E289 S291 G294 F295 I296 F300	V257-K298 CarbonylContact C-O 3.42Å; V257-K298 WeakPolarHBondContact CA-O 3.32Å; Q258-K298 HydrophobicContact CB-CB 4.44Å; Q258-K298 PolarHBondContact N-O 3.47Å; Q258-K298 PolarHBondContact O-N 3.4Å; I287-K298 HydrophobicContact CG2-CB 4.27Å; I287-K298 HydrophobicContact CG2-CD 4.13Å; E289-K298 HydrophobicContact CB-CD 4.33Å; E289-K298 HydrophobicContact CG-CD 3.81Å; E289-K298 VanDerWaalsContact OE1-CE 3.26Å; E289-K298 WeakPolarHBondContact OE1-CE 3.17Å; S291-K298 PolarHBondContact O-NZ 3.26Å; G294-K298 WeakPolarHBondContact O-CE 3.32Å; G294-K298 PolarHBondContact O-NZ 3Å; F295-K298 HydrophobicContact CD2-CB 4.29Å; F295-K298 HydrophobicContact CD2-CG 3.7Å; F295-K298 HydrophobicContact CE2-CB 4.23Å; F295-K298 HydrophobicContact CE2-CG 4.07Å; I296-K298 VanDerWaalsContact C-N 3.27Å; I296-K298 PolarHBondContact O-N 2.91Å; I296-K298 PolarHBondContact O-NZ 3.1Å; K298-F300 HydrophobicContact CB-CE2 3.64Å; K298-F300 HydrophobicContact CB-CZ 3.81Å; K298-F300 WeakPolarHBondContact O-CE2 3.49Å
299	M	97.8	Very high	91.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	139	177.3	175.7	-176.6	-78.7	0	0	110.6	M137 Y255 Y256 V257 M273 A277 I287 L288 F290	M137-M299 HydrophobicContact CE-CE 3.8Å; M137-M299 HydrophobicContact CG-CE 4.41Å; M137-M299 HydrophobicContact SD-CE 4.06Å; Y255-M299 HydrophobicContact CD1-SD 4.3Å; Y255-M299 HydrophobicContact CG-SD 4.12Å; Y256-M299 CarbonylContact O-C 3.53Å; Y256-M299 VanDerWaalsContact O-CA 3.25Å; Y256-M299 WeakPolarHBondContact O-CA 3.23Å; V257-M299 HydrophobicContact CG2-CB 4.07Å; V257-M299 HydrophobicContact CG2-CE 3.48Å; V257-M299 VanDerWaalsContact CG2-CE 3.48Å; V257-M299 HydrophobicContact CG2-CG 4.08Å; M273-M299 HydrophobicContact CB-CE 3.75Å; M273-M299 HydrophobicContact SD-CE 4.41Å; A277-M299 HydrophobicContact CB-SD 4.01Å; I287-M299 WeakPolarHBondContact CA-O 3.48Å; L288-M299 HydrophobicContact CB-CB 4.17Å; L288-M299 HydrophobicContact CD1-SD 4.09Å; L288-M299 PolarHBondContact N-O 3.42Å; L288-M299 PolarHBondContact O-N 3.37Å; F290-M299 HydrophobicContact CD2-CB 4.33Å; F290-M299 HydrophobicContact CE2-CB 3.76Å; F290-M299 HydrophobicContact CE2-CE 4.08Å; F290-M299 HydrophobicContact CE2-SD 4.05Å; F290-M299 HydrophobicContact CZ-SD 4.43Å
300	F	96.9	Very high	90.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	153.7	-180	-55.3	-84.3	0	0	0	109.6	Y255 Y256 Q258 I287 F295 K298 L305 I308 L325	Y255-F300 WeakPolarHBondContact CA-O 3.33Å; Y256-F300 AromaticContact CD1-CD2 3.99Å; Y256-F300 HydrophobicContact CD1-CD2 3.99Å; Y256-F300 PolarHBondContact N-O 2.94Å; Y256-F300 PolarHBondContact O-N 2.98Å; Q258-F300 HydrophobicContact CB-CE2 4.48Å; I287-F300 HydrophobicContact CB-CE1 4.29Å; I287-F300 HydrophobicContact CD1-CE1 4Å; I287-F300 HydrophobicContact CG1-CD1 4.22Å; I287-F300 HydrophobicContact CG1-CE1 3.71Å; I287-F300 HydrophobicContact CG2-CE1 3.95Å; I287-F300 HydrophobicContact CG2-CZ 4.22Å; F295-F300 HydrophobicContact CE2-CE2 4.28Å; F295-F300 AromaticContact CE2-CZ 3.9Å; F295-F300 HydrophobicContact CE2-CZ 3.9Å; F295-F300 HydrophobicContact CZ-CE2 4.38Å; F295-F300 HydrophobicContact CZ-CZ 4.2Å; K298-F300 HydrophobicContact CB-CE2 3.64Å; K298-F300 HydrophobicContact CB-CZ 3.81Å; K298-F300 WeakPolarHBondContact O-CE2 3.49Å; F300-L305 HydrophobicContact CB-CD2 3.88Å; F300-L305 HydrophobicContact CD2-CD2 4.3Å; F300-L305 HydrophobicContact CG-CD2 4.2Å; F300-I308 HydrophobicContact CB-CD1 4.36Å; F300-I308 HydrophobicContact CD1-CD1 3.27Å; F300-I308 HydrophobicContact CE1-CD1 3.59Å; F300-I308 HydrophobicContact CG-CD1 3.88Å; F300-I308 HydrophobicContact CZ-CD1 4.45Å; F300-L325 HydrophobicContact CE1-CD1 3.92Å; F300-L325 HydrophobicContact CZ-CD1 3.99Å; F300-L325 HydrophobicContact CZ-CD2 4.46Å
301	Q	93.3	Very high	90.8	Very high	46 Å²	46	23.9 Å²	23.9	22%	0.215	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	132.3	161.9	-58.8	-177.3	13.4	0	0	108.1	Y255 W285 P303 D304	Y255-Q301 HydrophobicContact CE1-CG 4.45Å; W285-Q301 HydrophobicContact CH2-CG 3.49Å; W285-Q301 VanDerWaalsContact CH2-CG 3.49Å; W285-Q301 HydrophobicContact CZ2-CG 3.97Å; W285-Q301 HydrophobicContact CZ3-CG 3.9Å; Q301-P303 VanDerWaalsContact C-CD 3.46Å; Q301-P303 VanDerWaalsContact C-N 3.34Å; Q301-D304 HydrophobicContact CB-CB 4.43Å; Q301-D304 PolarHBondContact O-N 3.32Å
302	A	90.3	Very high	91	Very high	2 Å²	2	24 Å²	24	2%	0.017	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-56.4	-41	-177.1	0	0	0	0	0	113.2	V250 G253 V254 D304 L305	V250-A302 WeakPolarHBondContact CG2-O 3.38Å; G253-A302 WeakPolarHBondContact O-CB 3.26Å; V254-A302 WeakPolarHBondContact O-CB 3.35Å; V254-A302 PolarHBondContact O-N 2.85Å; A302-D304 PolarHBondContact O-N 3.37Å; A302-L305 VanDerWaalsContact O-CB 3.28Å; A302-L305 WeakPolarHBondContact O-CB 3.41Å; A302-L305 VanDerWaalsContact O-CG 3.27Å; A302-L305 WeakPolarHBondContact O-CG 3.22Å; A302-L305 PolarHBondContact O-N 3.23Å; A302-L305 VanDerWaalsContact O-N 3.12Å
303	P	85.4	Confident	91.5	Very high	27 Å²	27	21.1 Å²	21.1	18%	0.175	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-61	-29.7	177	-25.3	35.9	0	0	0	114.6	Q301 L305 N306	Q301-P303 VanDerWaalsContact C-CD 3.46Å; Q301-P303 VanDerWaalsContact C-N 3.34Å; P303-L305 PolarHBondContact O-N 2.85Å; P303-N306 PolarHBondContact O-ND2 2.9Å
304	D	90.3	Very high	92	Very high	24 Å²	24	24.4 Å²	24.4	13%	0.128	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-76.8	-11.8	-178.9	-68.1	-16.4	0	0	0	112.5	R49 Q301 A302 N306 L307 I308	R49-D304 IonicContact CZ-OD1 3.72Å; R49-D304 IonicContact NH1-OD1 3.9Å; R49-D304 IonicContact NH2-OD1 2.76Å; R49-D304 PolarHBondContact NH2-OD1 3.28Å; Q301-D304 HydrophobicContact CB-CB 4.43Å; Q301-D304 PolarHBondContact O-N 3.32Å; A302-D304 PolarHBondContact O-N 3.37Å; D304-N306 PolarHBondContact O-N 3.49Å; D304-L307 PolarHBondContact O-N 3.48Å; D304-I308 WeakPolarHBondContact O-CG1 3.5Å; D304-I308 PolarHBondContact O-N 2.86Å
305	L	93	Very high	92.8	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-58.3	-34.6	177.1	-66.4	-179.6	0	0	0	112.5	M246 V250 Y256 F300 A302 P303 L307 I308 V309	M246-L305 HydrophobicContact CB-CD1 4.37Å; M246-L305 HydrophobicContact CB-CD2 4.44Å; M246-L305 HydrophobicContact CG-CD2 4.13Å; M246-L305 HydrophobicContact SD-CD2 4.23Å; V250-L305 HydrophobicContact CB-CD1 4.45Å; V250-L305 HydrophobicContact CG2-CB 4.27Å; Y256-L305 HydrophobicContact CD1-CD1 4.13Å; Y256-L305 HydrophobicContact CD1-CD2 3.62Å; Y256-L305 HydrophobicContact CD2-CD1 4.25Å; Y256-L305 HydrophobicContact CE1-CD2 4.4Å; Y256-L305 HydrophobicContact CG-CD1 3.72Å; Y256-L305 HydrophobicContact CG-CD2 4.03Å; Y256-L305 HydrophobicContact CG-CG 4.46Å; F300-L305 HydrophobicContact CB-CD2 3.88Å; F300-L305 HydrophobicContact CD2-CD2 4.3Å; F300-L305 HydrophobicContact CG-CD2 4.2Å; A302-L305 VanDerWaalsContact O-CB 3.28Å; A302-L305 WeakPolarHBondContact O-CB 3.41Å; A302-L305 VanDerWaalsContact O-CG 3.27Å; A302-L305 WeakPolarHBondContact O-CG 3.22Å; A302-L305 PolarHBondContact O-N 3.23Å; A302-L305 VanDerWaalsContact O-N 3.12Å; P303-L305 PolarHBondContact O-N 2.85Å; L305-L307 PolarHBondContact O-N 3.31Å; L305-I308 HydrophobicContact CD2-CD1 4.42Å; L305-I308 PolarHBondContact O-N 3.44Å; L305-V309 WeakPolarHBondContact O-CB 3.29Å; L305-V309 VanDerWaalsContact O-CG2 3.25Å; L305-V309 WeakPolarHBondContact O-CG2 3.42Å; L305-V309 PolarHBondContact O-N 3.02Å
306	N	89.8	Confident	93.2	Very high	38 Å²	38	27.1 Å²	27.1	20%	0.203	13%	0.133	C	C	.	.	H	α-helix	trans	-62.4	-44.5	179.9	-60.5	-71.6	0	0	0	112	H53 V250 P303 D304 I308 V309 E310	H53-N306 PolarHBondContact CE1-ND2 3.24Å; H53-N306 PolarHBondContact NE2-ND2 3.3Å; V250-N306 WeakPolarHBondContact CG2-ND2 3.32Å; P303-N306 PolarHBondContact O-ND2 2.9Å; D304-N306 PolarHBondContact O-N 3.49Å; N306-I308 VanDerWaalsContact C-N 3.27Å; N306-I308 PolarHBondContact O-N 3.48Å; N306-V309 PolarHBondContact O-N 2.98Å; N306-E310 WeakPolarHBondContact O-CB 3.26Å; N306-E310 VanDerWaalsContact O-CG 3.31Å; N306-E310 WeakPolarHBondContact O-CG 3.5Å; N306-E310 PolarHBondContact O-N 3.4Å
307	L	91.1	Very high	93.3	Very high	72 Å²	72	31.5 Å²	31.5	38%	0.377	15%	0.152	S	C	.	.	H	α-helix	trans	-61.1	-41.5	176.4	177.9	155.1	0	0	0	110.7	M286 D304 L305 F311 I328	M286-L307 HydrophobicContact CE-CD2 3.66Å; D304-L307 PolarHBondContact O-N 3.48Å; L305-L307 PolarHBondContact O-N 3.31Å; L307-F311 WeakPolarHBondContact O-CB 3.45Å; L307-F311 PolarHBondContact O-N 3.47Å; L307-I328 HydrophobicContact CD2-CG2 4.33Å
308	I	94.3	Very high	93.2	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-64.5	-48.5	178.8	-64.8	164.3	0	0	0	110.2	M246 M286 F300 D304 L305 N306 F311 I312 I328	M246-I308 HydrophobicContact SD-CG2 4.11Å; M286-I308 HydrophobicContact CE-CD1 4.38Å; M286-I308 HydrophobicContact CE-CG1 3.95Å; F300-I308 HydrophobicContact CB-CD1 4.36Å; F300-I308 HydrophobicContact CD1-CD1 3.27Å; F300-I308 HydrophobicContact CE1-CD1 3.59Å; F300-I308 HydrophobicContact CG-CD1 3.88Å; F300-I308 HydrophobicContact CZ-CD1 4.45Å; D304-I308 WeakPolarHBondContact O-CG1 3.5Å; D304-I308 PolarHBondContact O-N 2.86Å; L305-I308 HydrophobicContact CD2-CD1 4.42Å; L305-I308 PolarHBondContact O-N 3.44Å; N306-I308 VanDerWaalsContact C-N 3.27Å; N306-I308 PolarHBondContact O-N 3.48Å; I308-F311 PolarHBondContact O-N 3.22Å; I308-I312 HydrophobicContact CG2-CD1 3.74Å; I308-I312 HydrophobicContact CG2-CG1 4.46Å; I308-I312 WeakPolarHBondContact O-CD1 3.41Å; I308-I312 WeakPolarHBondContact O-CG1 3.24Å; I308-I312 PolarHBondContact O-N 3Å; I308-I328 HydrophobicContact CG2-CD1 4.42Å
309	V	94.4	Very high	93.1	Very high	6 Å²	6	38.2 Å²	38.2	4%	0.036	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-46.7	178.4	167.4	0	0	0	0	111.5	M246 M247 L305 N306 F311 I312 F313	M246-V309 HydrophobicContact CB-CG2 3.63Å; M246-V309 HydrophobicContact SD-CG2 4.19Å; M247-V309 HydrophobicContact CG-CG1 3.78Å; M247-V309 HydrophobicContact CG-CG2 4.21Å; M247-V309 HydrophobicContact SD-CG1 4Å; L305-V309 WeakPolarHBondContact O-CB 3.29Å; L305-V309 VanDerWaalsContact O-CG2 3.25Å; L305-V309 WeakPolarHBondContact O-CG2 3.42Å; L305-V309 PolarHBondContact O-N 3.02Å; N306-V309 PolarHBondContact O-N 2.98Å; V309-F311 VanDerWaalsContact C-N 3.32Å; V309-F311 PolarHBondContact O-N 2.83Å; V309-I312 PolarHBondContact O-N 3.48Å; V309-I312 VanDerWaalsContact O-N 3.16Å; V309-F313 HydrophobicContact CG1-CD2 3.72Å; V309-F313 HydrophobicContact CG1-CE2 3.27Å; V309-F313 HydrophobicContact CG1-CZ 3.85Å; V309-F313 PolarHBondContact O-N 3.29Å
310	E	92	Very high	92.8	Very high	122 Å²	122	39.1 Å²	39.1	57%	0.57	19%	0.188	S	C	*	.	H	α-helix	trans	-59.2	-44.2	176.4	-75.8	176.2	-176.7	0	0	111.4	N306 I312 F313 M314	N306-E310 WeakPolarHBondContact O-CB 3.26Å; N306-E310 VanDerWaalsContact O-CG 3.31Å; N306-E310 WeakPolarHBondContact O-CG 3.5Å; N306-E310 PolarHBondContact O-N 3.4Å; E310-I312 VanDerWaalsContact C-N 3.33Å; E310-I312 PolarHBondContact O-N 2.9Å; E310-F313 PolarHBondContact O-N 3.28Å; E310-M314 WeakPolarHBondContact O-CG 3.27Å; E310-M314 PolarHBondContact O-N 2.88Å
311	F	94.1	Very high	92.7	Very high	26 Å²	26	39.3 Å²	39.3	11%	0.114	19%	0.189	C	C	.	.	H	α-helix	trans	-63.2	-39.3	175.9	-168	-84.2	0	0	0	112.6	L307 I308 V309 M314 F315 L324 H327 I328	L307-F311 WeakPolarHBondContact O-CB 3.45Å; L307-F311 PolarHBondContact O-N 3.47Å; I308-F311 PolarHBondContact O-N 3.22Å; V309-F311 VanDerWaalsContact C-N 3.32Å; V309-F311 PolarHBondContact O-N 2.83Å; F311-M314 HydrophobicContact CB-CE 4.16Å; F311-M314 HydrophobicContact CD2-CE 3.85Å; F311-M314 HydrophobicContact CG-CE 4.28Å; F311-M314 PolarHBondContact O-N 3.43Å; F311-F315 HydrophobicContact CD1-CD2 4.19Å; F311-F315 HydrophobicContact CD2-CE2 4.37Å; F311-F315 AromaticContact CE1-CD2 3.87Å; F311-F315 HydrophobicContact CE1-CD2 3.87Å; F311-F315 HydrophobicContact CE1-CE2 4.28Å; F311-F315 HydrophobicContact CE2-CD2 4.31Å; F311-F315 AromaticContact CE2-CE2 3.92Å; F311-F315 HydrophobicContact CE2-CE2 3.92Å; F311-F315 AromaticContact CZ-CD2 3.93Å; F311-F315 HydrophobicContact CZ-CD2 3.93Å; F311-F315 AromaticContact CZ-CE2 3.88Å; F311-F315 HydrophobicContact CZ-CE2 3.88Å; F311-F315 WeakPolarHBondContact O-CD2 3.37Å; F311-F315 PolarHBondContact O-N 3.31Å; F311-L324 HydrophobicContact CE1-CB 4.38Å; F311-L324 HydrophobicContact CE1-CD2 4.25Å; F311-L324 WeakPolarHBondContact CE1-O 3.49Å; F311-H327 HydrophobicContact CE1-CB 4.28Å; F311-H327 HydrophobicContact CZ-CB 4.12Å; F311-I328 HydrophobicContact CB-CD1 3.85Å; F311-I328 HydrophobicContact CB-CG1 3.99Å; F311-I328 HydrophobicContact CD1-CD1 3.64Å; F311-I328 HydrophobicContact CD1-CG1 3.23Å; F311-I328 HydrophobicContact CD2-CG1 3.86Å; F311-I328 HydrophobicContact CE1-CD1 4.35Å; F311-I328 HydrophobicContact CE1-CG1 3.52Å; F311-I328 HydrophobicContact CE2-CG1 4.1Å; F311-I328 HydrophobicContact CG-CD1 3.81Å; F311-I328 HydrophobicContact CG-CG1 3.41Å; F311-I328 VanDerWaalsContact CG-CG1 3.41Å; F311-I328 HydrophobicContact CZ-CG1 3.95Å
312	I	95.8	Very high	92.5	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-46.6	174.5	-64.7	159.5	0	0	0	110	N239 S243 M246 I308 V309 E310 M314 F315 Y316 I321 L324	N239-I312 HydrophobicContact CB-CG2 3.74Å; S243-I312 VanDerWaalsContact OG-CG2 3.28Å; S243-I312 WeakPolarHBondContact OG-CG2 2.94Å; M246-I312 HydrophobicContact SD-CD1 4.43Å; I308-I312 HydrophobicContact CG2-CD1 3.74Å; I308-I312 HydrophobicContact CG2-CG1 4.46Å; I308-I312 WeakPolarHBondContact O-CD1 3.41Å; I308-I312 WeakPolarHBondContact O-CG1 3.24Å; I308-I312 PolarHBondContact O-N 3Å; V309-I312 PolarHBondContact O-N 3.48Å; V309-I312 VanDerWaalsContact O-N 3.16Å; E310-I312 VanDerWaalsContact C-N 3.33Å; E310-I312 PolarHBondContact O-N 2.9Å; I312-M314 VanDerWaalsContact C-N 3.27Å; I312-M314 PolarHBondContact O-N 3.39Å; I312-F315 CarbonylContact O-C 3.6Å; I312-F315 PolarHBondContact O-N 2.67Å; I312-Y316 VanDerWaalsContact O-CA 3.3Å; I312-Y316 WeakPolarHBondContact O-CA 3.13Å; I312-Y316 VanDerWaalsContact O-CB 3.31Å; I312-Y316 WeakPolarHBondContact O-CB 3.32Å; I312-Y316 PolarHBondContact O-N 2.67Å; I312-I321 HydrophobicContact CD1-CD1 3.42Å; I312-I321 VanDerWaalsContact CD1-CD1 3.42Å; I312-I321 HydrophobicContact CG1-CD1 3.57Å; I312-I321 HydrophobicContact CG2-CD1 4.23Å; I312-L324 HydrophobicContact CG2-CD1 4.37Å
313	F	93.8	Very high	92.7	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-30	178.4	-71.4	-34.6	0	0	0	114	I108 H111 L112 L240 M247 V309 E310 F315 Y316	I108-F313 HydrophobicContact CD1-CD2 4.23Å; I108-F313 HydrophobicContact CD1-CE2 3.37Å; I108-F313 HydrophobicContact CD1-CZ 3.65Å; I108-F313 HydrophobicContact CG1-CD2 3.96Å; I108-F313 HydrophobicContact CG1-CE2 3.61Å; I108-F313 HydrophobicContact CG1-CZ 4.15Å; H111-F313 HydrophobicContact CB-CB 3.98Å; L112-F313 HydrophobicContact CD1-CD1 3.83Å; L112-F313 HydrophobicContact CD1-CE1 3.62Å; L112-F313 HydrophobicContact CD1-CG 4.5Å; L112-F313 HydrophobicContact CD1-CZ 4.11Å; L240-F313 HydrophobicContact CD2-CD1 4.13Å; L240-F313 HydrophobicContact CD2-CE1 3.93Å; M247-F313 HydrophobicContact CE-CE2 4.34Å; M247-F313 HydrophobicContact CE-CZ 3.8Å; M247-F313 HydrophobicContact SD-CE2 3.92Å; M247-F313 HydrophobicContact SD-CZ 4Å; V309-F313 HydrophobicContact CG1-CD2 3.72Å; V309-F313 HydrophobicContact CG1-CE2 3.27Å; V309-F313 HydrophobicContact CG1-CZ 3.85Å; V309-F313 PolarHBondContact O-N 3.29Å; E310-F313 PolarHBondContact O-N 3.28Å; F313-F315 VanDerWaalsContact C-N 3.25Å; F313-F315 PolarHBondContact O-N 3.31Å; F313-Y316 VanDerWaalsContact O-CD1 3.31Å; F313-Y316 WeakPolarHBondContact O-CD1 3.33Å
314	M	92.6	Very high	93.2	Very high	93 Å²	93	44.7 Å²	44.7	46%	0.458	21%	0.209	S	C	.	.	H	α-helix	trans	-62.8	-32.9	172.8	-73.8	-171.1	-78	0	0	112.6	E310 F311 I312	E310-M314 WeakPolarHBondContact O-CG 3.27Å; E310-M314 PolarHBondContact O-N 2.88Å; F311-M314 HydrophobicContact CB-CE 4.16Å; F311-M314 HydrophobicContact CD2-CE 3.85Å; F311-M314 HydrophobicContact CG-CE 4.28Å; F311-M314 PolarHBondContact O-N 3.43Å; I312-M314 VanDerWaalsContact C-N 3.27Å; I312-M314 PolarHBondContact O-N 3.39Å
315	F	94.4	Very high	93.3	Very high	84 Å²	84	44.1 Å²	44.1	37%	0.368	21%	0.206	S	C	.	.	H	α-helix	trans	-131.5	17.3	-167.8	-58.2	-68.3	0	0	0	114.8	F311 I312 F313 K317 E318 K319 L324	F311-F315 HydrophobicContact CD1-CD2 4.19Å; F311-F315 HydrophobicContact CD2-CE2 4.37Å; F311-F315 AromaticContact CE1-CD2 3.87Å; F311-F315 HydrophobicContact CE1-CD2 3.87Å; F311-F315 HydrophobicContact CE1-CE2 4.28Å; F311-F315 HydrophobicContact CE2-CD2 4.31Å; F311-F315 AromaticContact CE2-CE2 3.92Å; F311-F315 HydrophobicContact CE2-CE2 3.92Å; F311-F315 AromaticContact CZ-CD2 3.93Å; F311-F315 HydrophobicContact CZ-CD2 3.93Å; F311-F315 AromaticContact CZ-CE2 3.88Å; F311-F315 HydrophobicContact CZ-CE2 3.88Å; F311-F315 WeakPolarHBondContact O-CD2 3.37Å; F311-F315 PolarHBondContact O-N 3.31Å; I312-F315 CarbonylContact O-C 3.6Å; I312-F315 PolarHBondContact O-N 2.67Å; F313-F315 VanDerWaalsContact C-N 3.25Å; F313-F315 PolarHBondContact O-N 3.31Å; F315-K317 PolarHBondContact O-N 2.69Å; F315-K317 VanDerWaalsContact O-N 3.1Å; F315-E318 HydrophobicContact CB-CB 4.44Å; F315-E318 HydrophobicContact CD1-CG 4.48Å; F315-E318 PolarHBondContact O-N 3.05Å; F315-K319 PolarHBondContact O-N 3.4Å; F315-L324 HydrophobicContact CB-CD1 4.43Å; F315-L324 HydrophobicContact CB-CD2 3.45Å; F315-L324 VanDerWaalsContact CB-CD2 3.45Å; F315-L324 HydrophobicContact CG-CD2 4.32Å
316	Y	94.9	Very high	93.3	Very high	12 Å²	12	46.1 Å²	46.1	5%	0.047	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.1	-171.4	76	-78.8	0	0	0	113.8	L112 P216 T236 N239 L240 I312 F313	L112-Y316 HydrophobicContact CD2-CE1 3.97Å; L112-Y316 HydrophobicContact CD2-CE2 4.33Å; L112-Y316 WeakPolarHBondContact CD2-OH 3.3Å; P216-Y316 HydrophobicContact CG-CE2 4.07Å; T236-Y316 HydrophobicContact CG2-CD2 3.48Å; T236-Y316 VanDerWaalsContact CG2-CD2 3.48Å; T236-Y316 HydrophobicContact CG2-CE2 3.74Å; N239-Y316 PolarHBondContact ND2-O 2.82Å; L240-Y316 HydrophobicContact CD1-CD2 4.02Å; L240-Y316 HydrophobicContact CD1-CE2 3.95Å; L240-Y316 HydrophobicContact CD2-CD2 3.69Å; L240-Y316 HydrophobicContact CD2-CE2 4.03Å; L240-Y316 HydrophobicContact CD2-CG 4.06Å; L240-Y316 HydrophobicContact CG-CD2 3.8Å; L240-Y316 HydrophobicContact CG-CE2 4.21Å; I312-Y316 VanDerWaalsContact O-CA 3.3Å; I312-Y316 WeakPolarHBondContact O-CA 3.13Å; I312-Y316 VanDerWaalsContact O-CB 3.31Å; I312-Y316 WeakPolarHBondContact O-CB 3.32Å; I312-Y316 PolarHBondContact O-N 2.67Å; F313-Y316 VanDerWaalsContact O-CD1 3.31Å; F313-Y316 WeakPolarHBondContact O-CD1 3.33Å
317	K	94.2	Very high	93.6	Very high	95 Å²	95	47.6 Å²	47.6	41%	0.413	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-24.5	175	-58.4	-176.5	-171.6	177.9	0	112.8	L221 R235 T236 F315	L221-K317 HydrophobicContact CD2-CD 4.03Å; L221-K317 HydrophobicContact CD2-CG 4.03Å; R235-K317 PolarHBondContact NH1-O 3.28Å; R235-K317 PolarHBondContact NH2-O 2.72Å; T236-K317 HydrophobicContact CG2-CG 4.19Å; F315-K317 PolarHBondContact O-N 2.69Å; F315-K317 VanDerWaalsContact O-N 3.1Å
318	E	92.6	Very high	93.7	Very high	92 Å²	92	44.4 Å²	44.4	43%	0.43	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-43.1	-164.8	-60	-52.7	143.8	0	0	113.1	F225 R235 F315	F225-E318 WeakPolarHBondContact CE2-O 3.38Å; R235-E318 PolarHBondContact NH1-O 2.8Å; F315-E318 HydrophobicContact CB-CB 4.44Å; F315-E318 HydrophobicContact CD1-CG 4.48Å; F315-E318 PolarHBondContact O-N 3.05Å
319	K	93.4	Very high	93.7	Very high	54 Å²	54	44.3 Å²	44.3	24%	0.235	21%	0.205	C	C	.	.	S	Bend	trans	-139.2	153.9	-174	-66.8	-178.9	-172.5	-69.1	0	112.3	F225 N239 F315 W323 L324 H327	F225-K319 HydrophobicContact CE2-CG 4.28Å; F225-K319 HydrophobicContact CZ-CG 3.98Å; N239-K319 PolarHBondContact ND2-O 3.23Å; F315-K319 PolarHBondContact O-N 3.4Å; K319-W323 HydrophobicContact CB-CB 4.26Å; K319-W323 HydrophobicContact CD-CB 4.44Å; K319-W323 HydrophobicContact CD-CE3 4.39Å; K319-W323 HydrophobicContact CG-CE3 4.37Å; K319-L324 HydrophobicContact CB-CD2 3.75Å; K319-L324 HydrophobicContact CB-CG 4.01Å; K319-L324 HydrophobicContact CD-CD2 4.41Å; K319-H327 WeakPolarHBondContact CE-NE2 3.42Å
320	P	93.3	Very high	93.7	Very high	19 Å²	19	49.5 Å²	49.5	12%	0.123	22%	0.223	C	C	.	.			trans	-67.4	159.8	170.2	30.7	-35.5	0	0	0	111.6	R235 D322 W323 L324	R235-P320 HydrophobicContact CB-CB 4.26Å; P320-D322 PolarHBondContact O-N 3.41Å; P320-W323 HydrophobicContact CG-CB 4.2Å; P320-W323 HydrophobicContact CG-CD2 3.91Å; P320-W323 HydrophobicContact CG-CE3 4.34Å; P320-W323 HydrophobicContact CG-CG 3.82Å; P320-W323 WeakPolarHBondContact O-CB 3.46Å; P320-W323 PolarHBondContact O-N 2.86Å; P320-W323 VanDerWaalsContact O-N 3.12Å; P320-L324 PolarHBondContact O-N 3.01Å; P320-L324 VanDerWaalsContact O-N 3.11Å
321	I	93.5	Very high	93.8	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-57.3	-42.8	-171	-165.3	61	0	0	0	114	N239 Y242 F295 I312 W323 L324 L325	N239-I321 VanDerWaalsContact OD1-CA 3.27Å; N239-I321 WeakPolarHBondContact OD1-CA 3.3Å; N239-I321 VanDerWaalsContact OD1-CB 3.27Å; N239-I321 WeakPolarHBondContact OD1-CB 3.36Å; N239-I321 PolarHBondContact OD1-N 3.21Å; N239-I321 VanDerWaalsContact OD1-N 3.15Å; Y242-I321 HydrophobicContact CD2-CB 4.13Å; Y242-I321 HydrophobicContact CD2-CG1 3.87Å; Y242-I321 HydrophobicContact CD2-CG2 4.07Å; Y242-I321 HydrophobicContact CE2-CB 4.31Å; Y242-I321 HydrophobicContact CE2-CG1 4.37Å; Y242-I321 HydrophobicContact CE2-CG2 3.74Å; F295-I321 HydrophobicContact CB-CG2 4.2Å; F295-I321 HydrophobicContact CD1-CB 4.36Å; F295-I321 HydrophobicContact CD1-CG1 3.61Å; F295-I321 HydrophobicContact CD1-CG2 3.76Å; F295-I321 HydrophobicContact CE1-CB 4.49Å; F295-I321 HydrophobicContact CE1-CD1 4.14Å; F295-I321 HydrophobicContact CE1-CG1 3.32Å; F295-I321 HydrophobicContact CE1-CG2 4.37Å; F295-I321 HydrophobicContact CG-CG1 4.36Å; F295-I321 HydrophobicContact CG-CG2 4.08Å; F295-I321 HydrophobicContact CZ-CD1 4.48Å; F295-I321 HydrophobicContact CZ-CG1 3.86Å; I312-I321 HydrophobicContact CD1-CD1 3.42Å; I312-I321 VanDerWaalsContact CD1-CD1 3.42Å; I312-I321 HydrophobicContact CG1-CD1 3.57Å; I312-I321 HydrophobicContact CG2-CD1 4.23Å; I321-W323 PolarHBondContact O-N 3.21Å; I321-L324 PolarHBondContact O-N 3.25Å; I321-L324 VanDerWaalsContact O-N 3.11Å; I321-L325 PolarHBondContact O-N 3.21Å
322	D	90.4	Very high	93.7	Very high	63 Å²	63	52 Å²	52	34%	0.337	24%	0.24	S	C	.	.	H	α-helix	trans	-60.3	-36.9	-177.7	-59.8	-66.2	0	0	0	111.1	G294 F295 P320 D326	G294-D322 WeakPolarHBondContact CA-OD1 3.38Å; F295-D322 PolarHBondContact N-OD1 3.45Å; F295-D322 VanDerWaalsContact N-OD1 3.1Å; P320-D322 PolarHBondContact O-N 3.41Å; D322-D326 PolarHBondContact O-N 3.38Å
323	W	93.2	Very high	93.5	Very high	124 Å²	124	53.6 Å²	53.6	47%	0.47	25%	0.25	S	C	.	.	H	α-helix	trans	-74.6	-43.3	178.8	-68.6	14.9	0	0	0	110.2	F225 K319 P320 I321 L325 D326 H327	F225-W323 HydrophobicContact CD1-CZ3 4.18Å; F225-W323 HydrophobicContact CD2-CZ3 4.35Å; F225-W323 HydrophobicContact CE1-CZ3 4.02Å; F225-W323 HydrophobicContact CE2-CZ3 4.16Å; F225-W323 HydrophobicContact CG-CZ3 4.36Å; F225-W323 HydrophobicContact CZ-CZ3 4.03Å; K319-W323 HydrophobicContact CB-CB 4.26Å; K319-W323 HydrophobicContact CD-CB 4.44Å; K319-W323 HydrophobicContact CD-CE3 4.39Å; K319-W323 HydrophobicContact CG-CE3 4.37Å; P320-W323 HydrophobicContact CG-CB 4.2Å; P320-W323 HydrophobicContact CG-CD2 3.91Å; P320-W323 HydrophobicContact CG-CE3 4.34Å; P320-W323 HydrophobicContact CG-CG 3.82Å; P320-W323 WeakPolarHBondContact O-CB 3.46Å; P320-W323 PolarHBondContact O-N 2.86Å; P320-W323 VanDerWaalsContact O-N 3.12Å; I321-W323 PolarHBondContact O-N 3.21Å; W323-L325 PolarHBondContact O-N 2.88Å; W323-D326 PolarHBondContact O-N 3.25Å; W323-H327 PolarHBondContact O-N 3.36Å; W323-H327 PolarHBondContact O-ND1 2.95Å
324	L	95.3	Very high	93.5	Very high	2 Å²	2	54 Å²	54	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-56.7	-42.5	176.3	-67.5	179.2	0	0	0	111.2	F311 I312 F315 K319 P320 I321 D326 H327 I328	F311-L324 HydrophobicContact CE1-CB 4.38Å; F311-L324 HydrophobicContact CE1-CD2 4.25Å; F311-L324 WeakPolarHBondContact CE1-O 3.49Å; I312-L324 HydrophobicContact CG2-CD1 4.37Å; F315-L324 HydrophobicContact CB-CD1 4.43Å; F315-L324 HydrophobicContact CB-CD2 3.45Å; F315-L324 VanDerWaalsContact CB-CD2 3.45Å; F315-L324 HydrophobicContact CG-CD2 4.32Å; K319-L324 HydrophobicContact CB-CD2 3.75Å; K319-L324 HydrophobicContact CB-CG 4.01Å; K319-L324 HydrophobicContact CD-CD2 4.41Å; P320-L324 PolarHBondContact O-N 3.01Å; P320-L324 VanDerWaalsContact O-N 3.11Å; I321-L324 PolarHBondContact O-N 3.25Å; I321-L324 VanDerWaalsContact O-N 3.11Å; L324-D326 PolarHBondContact O-N 3.39Å; L324-H327 WeakPolarHBondContact O-CB 3.48Å; L324-H327 PolarHBondContact O-N 3.33Å; L324-H327 VanDerWaalsContact O-N 3.15Å; L324-I328 WeakPolarHBondContact O-CG1 3.35Å; L324-I328 PolarHBondContact O-N 3.22Å
325	L	93.6	Very high	93.4	Very high	12 Å²	12	52.4 Å²	52.4	6%	0.063	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-44.6	176.8	-165.8	70.4	0	0	0	112.7	I287 F295 F300 I321 W323 H327 I328 L329	I287-L325 HydrophobicContact CD1-CD1 3.58Å; I287-L325 HydrophobicContact CD1-CD2 3.73Å; I287-L325 HydrophobicContact CD1-CG 3.51Å; F295-L325 HydrophobicContact CD2-CD2 3.96Å; F295-L325 HydrophobicContact CE2-CD1 4.26Å; F295-L325 HydrophobicContact CE2-CD2 3.53Å; F295-L325 HydrophobicContact CE2-CG 4.38Å; F300-L325 HydrophobicContact CE1-CD1 3.92Å; F300-L325 HydrophobicContact CZ-CD1 3.99Å; F300-L325 HydrophobicContact CZ-CD2 4.46Å; I321-L325 PolarHBondContact O-N 3.21Å; W323-L325 PolarHBondContact O-N 2.88Å; L325-H327 VanDerWaalsContact C-N 3.3Å; L325-H327 PolarHBondContact O-N 3.46Å; L325-I328 WeakPolarHBondContact O-CB 3.32Å; L325-I328 PolarHBondContact O-N 3.04Å; L325-L329 PolarHBondContact O-N 2.71Å
326	D	93.3	Very high	93.3	Very high	43 Å²	43	53.5 Å²	53.5	23%	0.23	26%	0.262	C	S	.	.	H	α-helix	trans	-65.4	-34.1	175.3	-167.6	77.9	0	0	0	112.2	D322 W323 L324 L329 W330 K347 R351	D322-D326 PolarHBondContact O-N 3.38Å; W323-D326 PolarHBondContact O-N 3.25Å; L324-D326 PolarHBondContact O-N 3.39Å; D326-L329 PolarHBondContact O-N 3.3Å; D326-W330 PolarHBondContact O-N 3.2Å; D326-K347 IonicContact OD1-NZ 3.62Å; D326-K347 PolarHBondContact OD1-NZ 2.8Å; D326-K347 IonicContact OD2-NZ 3.59Å; D326-K347 PolarHBondContact OD2-NZ 3.4Å; D326-R351 IonicContact OD1-CZ 3.61Å; D326-R351 IonicContact OD1-NH1 3.28Å; D326-R351 PolarHBondContact OD1-NH1 3.01Å; D326-R351 IonicContact OD1-NH2 3.4Å
327	H	94.8	Very high	93.3	Very high	68 Å²	68	61.5 Å²	61.5	32%	0.315	30%	0.3	S	S	.	.	H	α-helix	trans	-68.4	-35.3	175.4	-74.4	69.2	0	0	0	112.1	F311 K319 W323 L324 L325 L329 W330 V331	F311-H327 HydrophobicContact CE1-CB 4.28Å; F311-H327 HydrophobicContact CZ-CB 4.12Å; K319-H327 WeakPolarHBondContact CE-NE2 3.42Å; W323-H327 PolarHBondContact O-N 3.36Å; W323-H327 PolarHBondContact O-ND1 2.95Å; L324-H327 WeakPolarHBondContact O-CB 3.48Å; L324-H327 PolarHBondContact O-N 3.33Å; L324-H327 VanDerWaalsContact O-N 3.15Å; L325-H327 VanDerWaalsContact C-N 3.3Å; L325-H327 PolarHBondContact O-N 3.46Å; H327-L329 VanDerWaalsContact C-N 3.29Å; H327-L329 PolarHBondContact O-N 3.11Å; H327-W330 PolarHBondContact O-N 3.09Å; H327-V331 WeakPolarHBondContact O-CG2 3.17Å; H327-V331 PolarHBondContact O-N 3.41Å
328	I	94.6	Very high	93.2	Very high	5 Å²	5	62.5 Å²	62.5	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-56.8	-47.7	172.3	-68	171	0	0	0	109.9	M286 L307 I308 F311 L324 L325 V331 K332	M286-I328 HydrophobicContact CE-CG2 3.49Å; M286-I328 VanDerWaalsContact CE-CG2 3.49Å; M286-I328 HydrophobicContact SD-CG2 3.85Å; L307-I328 HydrophobicContact CD2-CG2 4.33Å; I308-I328 HydrophobicContact CG2-CD1 4.42Å; F311-I328 HydrophobicContact CB-CD1 3.85Å; F311-I328 HydrophobicContact CB-CG1 3.99Å; F311-I328 HydrophobicContact CD1-CD1 3.64Å; F311-I328 HydrophobicContact CD1-CG1 3.23Å; F311-I328 HydrophobicContact CD2-CG1 3.86Å; F311-I328 HydrophobicContact CE1-CD1 4.35Å; F311-I328 HydrophobicContact CE1-CG1 3.52Å; F311-I328 HydrophobicContact CE2-CG1 4.1Å; F311-I328 HydrophobicContact CG-CD1 3.81Å; F311-I328 HydrophobicContact CG-CG1 3.41Å; F311-I328 VanDerWaalsContact CG-CG1 3.41Å; F311-I328 HydrophobicContact CZ-CG1 3.95Å; L324-I328 WeakPolarHBondContact O-CG1 3.35Å; L324-I328 PolarHBondContact O-N 3.22Å; L325-I328 WeakPolarHBondContact O-CB 3.32Å; L325-I328 PolarHBondContact O-N 3.04Å; I328-V331 PolarHBondContact O-N 2.87Å; I328-K332 HydrophobicContact CG2-CD 4.43Å; I328-K332 WeakPolarHBondContact O-CB 3.42Å; I328-K332 WeakPolarHBondContact O-CG 3.5Å; I328-K332 PolarHBondContact O-N 3.35Å
329	L	94.1	Very high	93.1	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.8	-43.1	178.1	-59.9	175.4	0	0	0	111.3	M286 I287 L325 D326 H327 V331 K332 V333 K347 L350 R351	M286-L329 HydrophobicContact CB-CD2 4.41Å; M286-L329 HydrophobicContact SD-CD2 4.11Å; I287-L329 HydrophobicContact CD1-CD1 4.15Å; I287-L329 HydrophobicContact CD1-CD2 4.18Å; I287-L329 HydrophobicContact CD1-CG 4.31Å; L325-L329 PolarHBondContact O-N 2.71Å; D326-L329 PolarHBondContact O-N 3.3Å; H327-L329 VanDerWaalsContact C-N 3.29Å; H327-L329 PolarHBondContact O-N 3.11Å; L329-V331 PolarHBondContact O-N 3.14Å; L329-K332 PolarHBondContact O-N 2.83Å; L329-V333 VanDerWaalsContact O-CG2 3.26Å; L329-V333 WeakPolarHBondContact O-CG2 3.21Å; L329-V333 PolarHBondContact O-N 3Å; L329-K347 HydrophobicContact CB-CB 4.49Å; L329-K347 HydrophobicContact CB-CD 4.38Å; L329-K347 HydrophobicContact CB-CG 3.95Å; L329-L350 HydrophobicContact CD2-CB 3.87Å; L329-L350 HydrophobicContact CD2-CD1 4.18Å; L329-R351 HydrophobicContact CD1-CB 3.75Å; L329-R351 HydrophobicContact CD1-CG 4.3Å
330	W	94.6	Very high	93	Very high	114 Å²	114	63.9 Å²	63.9	43%	0.432	33%	0.328	S	S	.	.	H	α-helix	trans	-57	-49.2	177.5	-172.7	93.3	0	0	0	111.7	D326 H327 K332 C334 P336 C343	D326-W330 PolarHBondContact O-N 3.2Å; H327-W330 PolarHBondContact O-N 3.09Å; W330-K332 VanDerWaalsContact C-N 3.29Å; W330-K332 PolarHBondContact O-N 3.21Å; W330-C334 HydrophobicContact CD2-CB 4.29Å; W330-C334 HydrophobicContact CG-CB 4Å; W330-C334 VanDerWaalsContact O-CB 3.27Å; W330-C334 WeakPolarHBondContact O-CB 3.23Å; W330-C334 PolarHBondContact O-N 3.09Å; W330-P336 HydrophobicContact CH2-CG 4.4Å; W330-C343 VanDerWaalsContact CD1-SG 3.57Å
331	V	93.6	Very high	92.9	Very high	95 Å²	95	70 Å²	70	58%	0.576	35%	0.353	S	S	*	.	H	α-helix	trans	-63.3	-36	179.7	171.4	0	0	0	0	111.6	H327 I328 L329	H327-V331 WeakPolarHBondContact O-CG2 3.17Å; H327-V331 PolarHBondContact O-N 3.41Å; I328-V331 PolarHBondContact O-N 2.87Å; L329-V331 PolarHBondContact O-N 3.14Å
332	K	91.3	Very high	92.8	Very high	105 Å²	105	71.3 Å²	71.3	46%	0.457	36%	0.359	S	S	.	.	H	α-helix	trans	-73.1	-40.3	-178.2	-80.8	-169.7	163.6	-164.8	0	114.1	M286 I328 L329 W330 L350	M286-K332 HydrophobicContact SD-CD 3.72Å; M286-K332 PolarHBondContact SD-NZ 3.27Å; M286-K332 VanDerWaalsContact SD-NZ 3.42Å; I328-K332 HydrophobicContact CG2-CD 4.43Å; I328-K332 WeakPolarHBondContact O-CB 3.42Å; I328-K332 WeakPolarHBondContact O-CG 3.5Å; I328-K332 PolarHBondContact O-N 3.35Å; L329-K332 PolarHBondContact O-N 2.83Å; W330-K332 VanDerWaalsContact C-N 3.29Å; W330-K332 PolarHBondContact O-N 3.21Å; K332-L350 HydrophobicContact CB-CD1 4.28Å; K332-L350 HydrophobicContact CD-CD1 4.39Å
333	V	92.3	Very high	92.9	Very high	36 Å²	36	68.9 Å²	68.9	22%	0.218	35%	0.347	C	S	.	.	H	α-helix	trans	-132.7	-10.5	-165.4	-60.6	0	0	0	0	116.2	L329 Q346 K347 L350	L329-V333 VanDerWaalsContact O-CG2 3.26Å; L329-V333 WeakPolarHBondContact O-CG2 3.21Å; L329-V333 PolarHBondContact O-N 3Å; V333-Q346 HydrophobicContact CB-CB 3.88Å; V333-Q346 HydrophobicContact CG2-CB 3.69Å; V333-K347 HydrophobicContact CG2-CG 4.32Å; V333-L350 HydrophobicContact CB-CD1 4.45Å; V333-L350 HydrophobicContact CG1-CD1 3.32Å; V333-L350 HydrophobicContact CG1-CG 3.99Å; V333-L350 HydrophobicContact CG2-CD1 4.27Å
334	C	93.3	Very high	92.7	Very high	14 Å²	14	66.9 Å²	66.9	10%	0.095	34%	0.343	C	S	.	.			trans	-85.4	122.5	-179.7	-65.4	0	0	0	0	111.2	W330 P336 C343	W330-C334 HydrophobicContact CD2-CB 4.29Å; W330-C334 HydrophobicContact CG-CB 4Å; W330-C334 VanDerWaalsContact O-CB 3.27Å; W330-C334 WeakPolarHBondContact O-CB 3.23Å; W330-C334 PolarHBondContact O-N 3.09Å; C334-P336 WeakPolarHBondContact O-CD 3.32Å; C334-C343 HydrophobicContact CB-CB 3.73Å; C334-C343 WeakPolarHBondContact CB-SG 3.29Å; C334-C343 WeakPolarHBondContact SG-CA 3.42Å; C334-C343 WeakPolarHBondContact SG-CB 3.43Å; C334-C343 CovalentContact SG-SG 2.03Å; C334-C343 PolarHBondContact SG-SG 2.74Å
335	N	91.8	Very high	92.4	Very high	60 Å²	60	73.7 Å²	73.7	32%	0.321	37%	0.368	S	S	.	.			trans	-82.3	119.5	171	-176.6	-27.4	0	0	0	109.6	E337 K338	N335-E337 PolarHBondContact O-N 3.46Å; N335-E337 WeakPolarHBondContact OD1-CB 3.41Å; N335-E337 PolarHBondContact OD1-N 3.16Å; N335-K338 HydrophobicContact CB-CB 4.34Å; N335-K338 HydrophobicContact CB-CD 4.18Å; N335-K338 HydrophobicContact CB-CG 4.21Å; N335-K338 PolarHBondContact O-N 3.3Å; N335-K338 VanDerWaalsContact O-N 3.11Å
336	P	91.4	Very high	92.2	Very high	107 Å²	107	76.7 Å²	76.7	70%	0.695	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-22.4	179.8	-23.8	34.9	0	0	0	115	W330 C334 K338	W330-P336 HydrophobicContact CH2-CG 4.4Å; C334-P336 WeakPolarHBondContact O-CD 3.32Å; P336-K338 VanDerWaalsContact C-N 3.3Å
337	E	93.9	Very high	92.1	Very high	181 Å²	181	75 Å²	75	85%	0.846	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-5.3	179.5	-56.7	-177.8	159.9	0	0	113	N335	N335-E337 PolarHBondContact O-N 3.46Å; N335-E337 WeakPolarHBondContact OD1-CB 3.41Å; N335-E337 PolarHBondContact OD1-N 3.16Å
338	K	93	Very high	91.8	Very high	115 Å²	115	74.9 Å²	74.9	50%	0.5	38%	0.379	S	S	.	.	S	Bend	trans	-109.7	163.9	-178.2	-68.8	-174.3	178.4	178	0	112.1	N335 P336 H342	N335-K338 HydrophobicContact CB-CB 4.34Å; N335-K338 HydrophobicContact CB-CD 4.18Å; N335-K338 HydrophobicContact CB-CG 4.21Å; N335-K338 PolarHBondContact O-N 3.3Å; N335-K338 VanDerWaalsContact O-N 3.11Å; P336-K338 VanDerWaalsContact C-N 3.3Å; K338-H342 HydrophobicContact CB-CB 3.95Å; K338-H342 HydrophobicContact CD-CB 4.33Å; K338-H342 WeakPolarHBondContact CD-CD2 3.19Å; K338-H342 VanDerWaalsContact CD-NE2 3.31Å; K338-H342 WeakPolarHBondContact CD-NE2 3.28Å; K338-H342 PolarHBondContact NZ-CE1 3.34Å
339	D	91.6	Very high	91.5	Very high	96 Å²	96	77.8 Å²	77.8	51%	0.513	40%	0.4	S	S	.	.			trans	-69.7	162.3	-178.2	73.3	-6.7	0	0	0	113.3	K341 H342 C343	D339-K341 PolarHBondContact O-N 3.31Å; D339-H342 WeakPolarHBondContact O-CB 3.45Å; D339-H342 PolarHBondContact O-N 2.69Å; D339-H342 VanDerWaalsContact O-N 3.09Å; D339-H342 WeakPolarHBondContact OD1-CB 3.34Å; D339-H342 PolarHBondContact OD1-N 2.83Å; D339-C343 PolarHBondContact O-N 2.95Å
340	A	91	Very high	91.3	Very high	79 Å²	79	78.5 Å²	78.5	65%	0.653	40%	0.404	S	S	*	.	H	α-helix	trans	-58	-33.2	178	0	0	0	0	0	112.2	H342 C343 E344	A340-H342 VanDerWaalsContact C-N 3.33Å; A340-H342 PolarHBondContact O-N 3.22Å; A340-C343 PolarHBondContact O-N 2.81Å; A340-E344 WeakPolarHBondContact O-CG 3.23Å; A340-E344 PolarHBondContact O-N 3.33Å
341	K	91.3	Very high	91.3	Very high	149 Å²	149	75.4 Å²	75.4	65%	0.648	39%	0.392	S	S	*	.	H	α-helix	trans	-68.2	-32.6	179	-169.3	177	-178.4	179.5	0	112.2	D339 R345	D339-K341 PolarHBondContact O-N 3.31Å; K341-R345 VanDerWaalsContact O-CG 3.31Å; K341-R345 WeakPolarHBondContact O-CG 3.22Å; K341-R345 PolarHBondContact O-N 3.1Å; K341-R345 PolarHBondContact O-NE 2.71Å; K341-R345 VanDerWaalsContact O-NE 3.12Å
342	H	91.2	Very high	91.2	Very high	30 Å²	30	72.6 Å²	72.6	14%	0.139	38%	0.375	C	S	.	.	H	α-helix	trans	-65.7	-50.7	170.3	-178.9	75.9	0	0	0	110.7	K338 D339 A340 E344 R345 Q346	K338-H342 HydrophobicContact CB-CB 3.95Å; K338-H342 HydrophobicContact CD-CB 4.33Å; K338-H342 WeakPolarHBondContact CD-CD2 3.19Å; K338-H342 VanDerWaalsContact CD-NE2 3.31Å; K338-H342 WeakPolarHBondContact CD-NE2 3.28Å; K338-H342 PolarHBondContact NZ-CE1 3.34Å; D339-H342 WeakPolarHBondContact O-CB 3.45Å; D339-H342 PolarHBondContact O-N 2.69Å; D339-H342 VanDerWaalsContact O-N 3.09Å; D339-H342 WeakPolarHBondContact OD1-CB 3.34Å; D339-H342 PolarHBondContact OD1-N 2.83Å; A340-H342 VanDerWaalsContact C-N 3.33Å; A340-H342 PolarHBondContact O-N 3.22Å; H342-E344 PolarHBondContact O-N 2.84Å; H342-R345 WeakPolarHBondContact O-CB 3.44Å; H342-R345 PolarHBondContact O-N 2.84Å; H342-R345 VanDerWaalsContact O-N 3.16Å; H342-Q346 WeakPolarHBondContact O-CG 3.3Å; H342-Q346 PolarHBondContact O-N 2.85Å
343	C	91.7	Very high	91.1	Very high	12 Å²	12	71.2 Å²	71.2	8%	0.081	37%	0.367	C	S	.	.	H	α-helix	trans	-56.4	-47.7	178.4	173.3	0	0	0	0	111.9	W330 C334 D339 A340 R345 Q346 K347	W330-C343 VanDerWaalsContact CD1-SG 3.57Å; C334-C343 HydrophobicContact CB-CB 3.73Å; C334-C343 WeakPolarHBondContact CB-SG 3.29Å; C334-C343 WeakPolarHBondContact SG-CA 3.42Å; C334-C343 WeakPolarHBondContact SG-CB 3.43Å; C334-C343 CovalentContact SG-SG 2.03Å; C334-C343 PolarHBondContact SG-SG 2.74Å; D339-C343 PolarHBondContact O-N 2.95Å; A340-C343 PolarHBondContact O-N 2.81Å; C343-R345 VanDerWaalsContact C-N 3.32Å; C343-R345 PolarHBondContact O-N 3.34Å; C343-Q346 PolarHBondContact O-N 3.27Å; C343-Q346 VanDerWaalsContact O-N 3.14Å; C343-K347 WeakPolarHBondContact O-CG 3.26Å; C343-K347 PolarHBondContact O-N 2.85Å
344	E	90	Very high	91	Very high	81 Å²	81	69.9 Å²	69.9	38%	0.379	36%	0.358	S	S	.	.	H	α-helix	trans	-63.4	-35.6	178.5	-70.9	-53.9	127.9	0	0	113	A340 H342 K347 S348 R351	A340-E344 WeakPolarHBondContact O-CG 3.23Å; A340-E344 PolarHBondContact O-N 3.33Å; H342-E344 PolarHBondContact O-N 2.84Å; E344-K347 IonicContact OE1-NZ 3.77Å; E344-K347 PolarHBondContact OE1-NZ 3.23Å; E344-S348 WeakPolarHBondContact O-CB 3.45Å; E344-S348 PolarHBondContact O-N 2.84Å; E344-S348 PolarHBondContact O-OG 3.4Å; E344-R351 IonicContact OE2-NH2 2.72Å
345	R	89.1	Confident	90.5	Very high	146 Å²	146	76.2 Å²	76.2	55%	0.551	38%	0.38	S	S	*	.	H	α-helix	trans	-64.6	-43.2	173.1	-77.6	-178.7	-69.5	163.3	-3.1	111.9	K341 H342 C343 S348 S349	K341-R345 VanDerWaalsContact O-CG 3.31Å; K341-R345 WeakPolarHBondContact O-CG 3.22Å; K341-R345 PolarHBondContact O-N 3.1Å; K341-R345 PolarHBondContact O-NE 2.71Å; K341-R345 VanDerWaalsContact O-NE 3.12Å; H342-R345 WeakPolarHBondContact O-CB 3.44Å; H342-R345 PolarHBondContact O-N 2.84Å; H342-R345 VanDerWaalsContact O-N 3.16Å; C343-R345 VanDerWaalsContact C-N 3.32Å; C343-R345 PolarHBondContact O-N 3.34Å; R345-S348 PolarHBondContact O-N 3.3Å; R345-S349 PolarHBondContact O-N 3.01Å
346	Q	89.2	Confident	90.3	Very high	74 Å²	74	73.8 Å²	73.8	35%	0.346	37%	0.367	S	S	.	.	H	α-helix	trans	-66.7	-44	177.7	-65.1	-61	-63.6	0	0	111.5	V333 H342 C343 S348 S349	V333-Q346 HydrophobicContact CB-CB 3.88Å; V333-Q346 HydrophobicContact CG2-CB 3.69Å; H342-Q346 WeakPolarHBondContact O-CG 3.3Å; H342-Q346 PolarHBondContact O-N 2.85Å; C343-Q346 PolarHBondContact O-N 3.27Å; C343-Q346 VanDerWaalsContact O-N 3.14Å; Q346-S348 PolarHBondContact O-N 2.84Å; Q346-S349 PolarHBondContact O-N 3.13Å; Q346-S349 PolarHBondContact O-OG 3.41Å
347	K	91.3	Very high	90.3	Very high	7 Å²	7	68.7 Å²	68.7	3%	0.03	33%	0.334	C	S	.	.	H	α-helix	trans	-58.4	-39.7	173.3	-70.8	-177.4	178.8	172.6	0	111.4	D326 L329 V333 C343 E344 S349 L350 R351	D326-K347 IonicContact OD1-NZ 3.62Å; D326-K347 PolarHBondContact OD1-NZ 2.8Å; D326-K347 IonicContact OD2-NZ 3.59Å; D326-K347 PolarHBondContact OD2-NZ 3.4Å; L329-K347 HydrophobicContact CB-CB 4.49Å; L329-K347 HydrophobicContact CB-CD 4.38Å; L329-K347 HydrophobicContact CB-CG 3.95Å; V333-K347 HydrophobicContact CG2-CG 4.32Å; C343-K347 WeakPolarHBondContact O-CG 3.26Å; C343-K347 PolarHBondContact O-N 2.85Å; E344-K347 IonicContact OE1-NZ 3.77Å; E344-K347 PolarHBondContact OE1-NZ 3.23Å; K347-S349 VanDerWaalsContact C-N 3.26Å; K347-S349 PolarHBondContact O-N 3.28Å; K347-L350 PolarHBondContact O-N 3.05Å; K347-R351 VanDerWaalsContact O-CB 3.31Å; K347-R351 WeakPolarHBondContact O-CB 3.38Å; K347-R351 PolarHBondContact O-N 3.33Å
348	S	88.6	Confident	90.2	Very high	66 Å²	66	60.2 Å²	60.2	46%	0.462	30%	0.295	S	S	.	.	H	α-helix	trans	-68	-20.8	-178.8	-58.8	0	0	0	0	113.9	E344 R345 Q346	E344-S348 WeakPolarHBondContact O-CB 3.45Å; E344-S348 PolarHBondContact O-N 2.84Å; E344-S348 PolarHBondContact O-OG 3.4Å; R345-S348 PolarHBondContact O-N 3.3Å; Q346-S348 PolarHBondContact O-N 2.84Å
349	S	86.4	Confident	90.3	Very high	66 Å²	66	54.7 Å²	54.7	46%	0.462	27%	0.271	S	S	.	.	H	α-helix	trans	-77.8	-32.7	172.5	63.4	0	0	0	0	112.4	R345 Q346 K347 V352	R345-S349 PolarHBondContact O-N 3.01Å; Q346-S349 PolarHBondContact O-N 3.13Å; Q346-S349 PolarHBondContact O-OG 3.41Å; K347-S349 VanDerWaalsContact C-N 3.26Å; K347-S349 PolarHBondContact O-N 3.28Å; S349-V352 WeakPolarHBondContact O-CG2 3.37Å
350	L	91.2	Very high	90.2	Very high	15 Å²	15	51 Å²	51	8%	0.079	25%	0.25	C	S	.	.	H	α-helix	trans	-83.7	-28.1	173.9	-71.5	-171.2	0	0	0	113.6	D284 M286 I287 L329 K332 V333 K347	D284-L350 VanDerWaalsContact O-CD2 3.25Å; D284-L350 WeakPolarHBondContact O-CD2 3.46Å; M286-L350 HydrophobicContact CB-CB 4.25Å; M286-L350 PolarHBondContact N-O 2.98Å; I287-L350 PolarHBondContact N-O 3.26Å; L329-L350 HydrophobicContact CD2-CB 3.87Å; L329-L350 HydrophobicContact CD2-CD1 4.18Å; K332-L350 HydrophobicContact CB-CD1 4.28Å; K332-L350 HydrophobicContact CD-CD1 4.39Å; V333-L350 HydrophobicContact CB-CD1 4.45Å; V333-L350 HydrophobicContact CG1-CD1 3.32Å; V333-L350 HydrophobicContact CG1-CG 3.99Å; V333-L350 HydrophobicContact CG2-CD1 4.27Å; K347-L350 PolarHBondContact O-N 3.05Å
351	R	93.2	Very high	90	Very high	50 Å²	50	48 Å²	48	19%	0.189	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	84.7	179.4	-175.5	175.7	67.9	-163.5	-5.5	109.4	I287 E289 D326 L329 E344 K347	I287-R351 HydrophobicContact CB-CG 4.33Å; I287-R351 CarbonylContact O-C 3.48Å; I287-R351 WeakPolarHBondContact O-CA 3.49Å; E289-R351 HydrophobicContact CG-CG 3.84Å; E289-R351 WeakPolarHBondContact OE1-CD 3.37Å; D326-R351 IonicContact OD1-CZ 3.61Å; D326-R351 IonicContact OD1-NH1 3.28Å; D326-R351 PolarHBondContact OD1-NH1 3.01Å; D326-R351 IonicContact OD1-NH2 3.4Å; L329-R351 HydrophobicContact CD1-CB 3.75Å; L329-R351 HydrophobicContact CD1-CG 4.3Å; E344-R351 IonicContact OE2-NH2 2.72Å; K347-R351 VanDerWaalsContact O-CB 3.31Å; K347-R351 WeakPolarHBondContact O-CB 3.38Å; K347-R351 PolarHBondContact O-N 3.33Å
352	V	91.9	Very high	89.7	Confident	36 Å²	36	43.9 Å²	43.9	22%	0.218	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126.5	-175.9	-169.1	0	0	0	0	109.4	F276 L280 W285 I287 L288 E289 S349	F276-V352 HydrophobicContact CE1-CG1 4.39Å; F276-V352 HydrophobicContact CZ-CG1 3.89Å; L280-V352 HydrophobicContact CD1-CB 4.17Å; L280-V352 HydrophobicContact CD1-CG1 3.89Å; L280-V352 HydrophobicContact CD1-CG2 4.48Å; W285-V352 HydrophobicContact CB-CG2 4.18Å; I287-V352 PolarHBondContact O-N 3.49Å; L288-V352 CarbonylContact C-O 3.54Å; L288-V352 WeakPolarHBondContact CA-O 3.13Å; L288-V352 HydrophobicContact CD2-CB 3.85Å; L288-V352 HydrophobicContact CD2-CG2 4.42Å; E289-V352 PolarHBondContact N-O 3.31Å; S349-V352 WeakPolarHBondContact O-CG2 3.37Å
353	R	90.4	Very high	89	Confident	76 Å²	76	42.5 Å²	42.5	29%	0.287	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.6	-177.5	-178.8	177.7	-62	179.2	2.1	111.4	E289 R355	E289-R353 HydrophobicContact CB-CB 4.21Å; E289-R353 HydrophobicContact CB-CG 4.16Å; E289-R353 IonicContact OE2-CZ 3.74Å; E289-R353 VanDerWaalsContact OE2-CZ 3.28Å; E289-R353 IonicContact OE2-NE 3.73Å; E289-R353 PolarHBondContact OE2-NE 3.22Å; E289-R353 IonicContact OE2-NH2 3.24Å; E289-R353 PolarHBondContact OE2-NH2 3.35Å; R353-R355 HydrophobicContact CG-CG 4.4Å
354	F	89.8	Confident	88.3	Confident	8 Å²	8	45.5 Å²	45.5	4%	0.035	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-78.7	139.1	166.8	-175.6	-96.5	0	0	0	110.8	T272 F276 E289 F290 P356 L358 L384 M388	T272-F354 HydrophobicContact CG2-CD1 4.43Å; T272-F354 HydrophobicContact CG2-CE1 3.64Å; T272-F354 HydrophobicContact CG2-CE2 3.77Å; T272-F354 HydrophobicContact CG2-CZ 3.24Å; F276-F354 HydrophobicContact CB-CD2 4.28Å; F276-F354 HydrophobicContact CD1-CB 4.07Å; F276-F354 HydrophobicContact CD1-CD2 4.17Å; F276-F354 AromaticContact CD2-CD2 3.66Å; F276-F354 HydrophobicContact CD2-CD2 3.66Å; F276-F354 HydrophobicContact CD2-CE2 4.3Å; F276-F354 HydrophobicContact CE1-CB 3.85Å; F276-F354 HydrophobicContact CE1-CD2 4.4Å; F276-F354 AromaticContact CE2-CD2 3.92Å; F276-F354 HydrophobicContact CE2-CD2 3.92Å; F276-F354 AromaticContact CG-CD2 3.77Å; F276-F354 HydrophobicContact CG-CD2 3.77Å; F276-F354 HydrophobicContact CZ-CB 4.14Å; F276-F354 HydrophobicContact CZ-CD2 4.27Å; E289-F354 PolarHBondContact O-N 3.23Å; F290-F354 HydrophobicContact CD1-CB 3.48Å; F290-F354 VanDerWaalsContact CD1-CB 3.48Å; F290-F354 HydrophobicContact CD1-CD1 4.03Å; F290-F354 AromaticContact CD1-CG 3.85Å; F290-F354 HydrophobicContact CD1-CG 3.85Å; F290-F354 HydrophobicContact CE1-CB 3.61Å; F290-F354 HydrophobicContact CE1-CD1 4.46Å; F290-F354 HydrophobicContact CE1-CD2 4.45Å; F290-F354 AromaticContact CE1-CG 3.93Å; F290-F354 HydrophobicContact CE1-CG 3.93Å; F354-P356 WeakPolarHBondContact CD1-O 3.42Å; F354-P356 VanDerWaalsContact CE1-O 3.25Å; F354-P356 WeakPolarHBondContact CE1-O 3.5Å; F354-L358 HydrophobicContact CD1-CD1 4.37Å; F354-L358 HydrophobicContact CD1-CD2 4.28Å; F354-L358 HydrophobicContact CD1-CG 4.09Å; F354-L358 HydrophobicContact CE1-CD1 4.48Å; F354-L358 HydrophobicContact CE1-CD2 3.84Å; F354-L358 HydrophobicContact CE1-CG 4.15Å; F354-L384 HydrophobicContact CZ-CD2 4.23Å; F354-M388 HydrophobicContact CE2-CE 4.29Å; F354-M388 HydrophobicContact CZ-CE 4.47Å
355	R	83.3	Confident	87.7	Confident	147 Å²	147	44.4 Å²	44.4	56%	0.555	21%	0.214	S	C	*	.	S	Bend	trans	-130.9	136	172.8	-65.2	-173	-179	95.8	-1.7	109.6	R353 D379	R353-R355 HydrophobicContact CG-CG 4.4Å; R355-D379 IonicContact NE-OD2 2.67Å
356	P	86.7	Confident	87.2	Confident	8 Å²	8	38.6 Å²	38.6	5%	0.052	20%	0.196	C	C	.	.	S	Bend	cis	-78.8	161.4	1.7	32.3	-35.2	0	0	0	113.5	F354 D379 K382 L384	F354-P356 WeakPolarHBondContact CD1-O 3.42Å; F354-P356 VanDerWaalsContact CE1-O 3.25Å; F354-P356 WeakPolarHBondContact CE1-O 3.5Å; P356-D379 WeakPolarHBondContact CB-O 2.99Å; P356-K382 HydrophobicContact CB-CB 4.29Å; P356-K382 WeakPolarHBondContact CB-O 3.44Å; P356-L384 HydrophobicContact CG-CD2 4.5Å; P356-L384 HydrophobicContact CG-CG 3.88Å
357	S	90.7	Very high	86.7	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.			trans	-56.4	140	176.3	-57.3	0	0	0	0	111.6	K266 F290 D377	K266-S357 WeakPolarHBondContact CD-O 3.19Å; K266-S357 VanDerWaalsContact CE-O 3.3Å; K266-S357 WeakPolarHBondContact CE-O 3.31Å; K266-S357 PolarHBondContact NZ-O 2.93Å; F290-S357 CarbonylContact O-C 3.43Å; F290-S357 WeakPolarHBondContact O-CA 3.43Å; S357-D377 WeakPolarHBondContact CB-OD1 3.5Å; S357-D377 PolarHBondContact OG-OD1 3.38Å; S357-D377 PolarHBondContact OG-OD2 3.32Å; S357-D377 VanDerWaalsContact OG-OD2 3.06Å
358	L	92.9	Very high	85.9	Confident	3 Å²	3	38 Å²	38	2%	0.016	20%	0.198	C	C	.	.	S	Bend	trans	-95.4	-17.3	-178.9	-60.2	-178.1	0	0	0	113	A265 K266 T272 M273 F290 F354	A265-L358 CarbonylContact C-O 3.57Å; A265-L358 WeakPolarHBondContact CA-O 3.32Å; K266-L358 HydrophobicContact CB-CD2 4.47Å; K266-L358 HydrophobicContact CD-CD2 4.34Å; K266-L358 PolarHBondContact N-O 2.99Å; T272-L358 HydrophobicContact CG2-CD1 4.03Å; T272-L358 HydrophobicContact CG2-CD2 4.19Å; M273-L358 HydrophobicContact CG-CD1 3.47Å; M273-L358 VanDerWaalsContact CG-CD1 3.47Å; M273-L358 HydrophobicContact SD-CD1 4.31Å; F290-L358 HydrophobicContact CB-CB 4.26Å; F290-L358 HydrophobicContact CB-CD1 4.17Å; F290-L358 HydrophobicContact CB-CG 4.3Å; F290-L358 HydrophobicContact CD1-CD1 3.55Å; F290-L358 HydrophobicContact CD1-CG 4.22Å; F290-L358 HydrophobicContact CE1-CD1 4.26Å; F290-L358 HydrophobicContact CG-CD1 4.1Å; F290-L358 PolarHBondContact O-N 3.35Å; F354-L358 HydrophobicContact CD1-CD1 4.37Å; F354-L358 HydrophobicContact CD1-CD2 4.28Å; F354-L358 HydrophobicContact CD1-CG 4.09Å; F354-L358 HydrophobicContact CE1-CD1 4.48Å; F354-L358 HydrophobicContact CE1-CD2 3.84Å; F354-L358 HydrophobicContact CE1-CG 4.15Å
359	F	94.4	Very high	85.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	142.5	-177.2	-53.4	-71.5	0	0	0	111.3	L159 L259 I263 V264 A265 Y269 M273 F290 I296	L159-F359 HydrophobicContact CD2-CE1 4.03Å; L259-F359 HydrophobicContact CD2-CD1 4.26Å; L259-F359 HydrophobicContact CD2-CD2 4.14Å; L259-F359 HydrophobicContact CD2-CE1 4Å; L259-F359 HydrophobicContact CD2-CE2 3.88Å; L259-F359 HydrophobicContact CD2-CG 4.31Å; L259-F359 HydrophobicContact CD2-CZ 3.79Å; I263-F359 HydrophobicContact CD1-CB 4.26Å; I263-F359 HydrophobicContact CD1-CD1 3.43Å; I263-F359 VanDerWaalsContact CD1-CD1 3.43Å; I263-F359 HydrophobicContact CD1-CE1 4.06Å; I263-F359 HydrophobicContact CD1-CG 4.09Å; V264-F359 WeakPolarHBondContact O-CA 3.48Å; A265-F359 HydrophobicContact CB-CD1 3.82Å; A265-F359 HydrophobicContact CB-CE1 3.79Å; Y269-F359 AromaticContact CD2-CE1 3.82Å; Y269-F359 HydrophobicContact CD2-CE1 3.82Å; Y269-F359 AromaticContact CD2-CZ 3.69Å; Y269-F359 HydrophobicContact CD2-CZ 3.69Å; Y269-F359 HydrophobicContact CE2-CE1 4.27Å; Y269-F359 HydrophobicContact CE2-CZ 4.24Å; Y269-F359 HydrophobicContact CG-CE1 4.29Å; Y269-F359 HydrophobicContact CG-CZ 4.44Å; M273-F359 HydrophobicContact CE-CZ 4.13Å; M273-F359 HydrophobicContact SD-CE2 3.72Å; M273-F359 HydrophobicContact SD-CZ 3.75Å; F290-F359 HydrophobicContact CB-CD2 4Å; F290-F359 HydrophobicContact CB-CE2 3.85Å; I296-F359 HydrophobicContact CG2-CB 3.86Å; I296-F359 HydrophobicContact CG2-CG 4.41Å
360	Q	89.8	Confident	84.3	Confident	17 Å²	17	39.2 Å²	39.2	8%	0.079	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.6	174.6	175	56.9	65.1	0	0	109.8	I263 V264 V362 L375 F380	I263-Q360 CarbonylContact C-O 3.56Å; I263-Q360 VanDerWaalsContact CA-O 3.24Å; I263-Q360 WeakPolarHBondContact CA-O 3.29Å; V264-Q360 PolarHBondContact N-O 2.77Å; V264-Q360 PolarHBondContact O-N 2.73Å; Q360-V362 HydrophobicContact CG-CG1 4.32Å; Q360-L375 PolarHBondContact NE2-O 3.24Å; Q360-F380 HydrophobicContact CB-CB 4.41Å; Q360-F380 HydrophobicContact CB-CD1 3.57Å; Q360-F380 HydrophobicContact CB-CD2 3.65Å; Q360-F380 HydrophobicContact CB-CE1 3.55Å; Q360-F380 HydrophobicContact CB-CE2 3.6Å; Q360-F380 HydrophobicContact CB-CG 3.62Å; Q360-F380 HydrophobicContact CB-CZ 3.56Å; Q360-F380 HydrophobicContact CG-CD1 3.98Å; Q360-F380 HydrophobicContact CG-CE1 4.1Å; Q360-F380 HydrophobicContact CG-CG 4.34Å
361	H	86.9	Confident	83.6	Confident	16 Å²	16	42.6 Å²	42.6	7%	0.074	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	127.5	171.3	176.8	-84.7	0	0	0	110.6	E260 D262 L293 I296 G363	E260-H361 IonicContact OE2-CD2 3.75Å; D262-H361 CarbonylContact O-C 3.48Å; D262-H361 WeakPolarHBondContact O-CA 3.43Å; D262-H361 IonicContact OD1-CD2 3.77Å; D262-H361 PolarHBondContact OD1-CD2 3.13Å; D262-H361 VanDerWaalsContact OD1-CD2 3.28Å; D262-H361 IonicContact OD1-NE2 2.72Å; D262-H361 IonicContact OD2-CD2 3.83Å; D262-H361 IonicContact OD2-NE2 3.79Å; D262-H361 PolarHBondContact OD2-NE2 2.86Å; L293-H361 HydrophobicContact CD1-CB 3.9Å; I296-H361 HydrophobicContact CD1-CB 3.88Å; H361-G363 PolarHBondContact CE1-O 3.46Å
362	V	84.8	Confident	82.5	Confident	64 Å²	64	45.2 Å²	45.2	39%	0.388	26%	0.255	S	S	.	.			trans	-118.8	-1.8	-178.6	-63.6	0	0	0	0	113.1	D262 V264 Q360 L364	D262-V362 WeakPolarHBondContact O-CG2 3.45Å; D262-V362 PolarHBondContact O-N 2.63Å; V264-V362 HydrophobicContact CB-CG1 4.31Å; V264-V362 HydrophobicContact CG2-CG1 3.71Å; V264-V362 HydrophobicContact CG2-CG2 4.01Å; Q360-V362 HydrophobicContact CG-CG1 4.32Å; V362-L364 PolarHBondContact O-N 3.16Å; V362-L364 VanDerWaalsContact O-N 3.07Å
363	G	77.4	Confident	81.3	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.01	25%	0.254	C	S	.	.			trans	-66.7	100.5	179.9	0	0	0	0	0	113.4	D262 H361 H365	D262-G363 PolarHBondContact O-N 3.25Å; H361-G363 PolarHBondContact CE1-O 3.46Å; G363-H365 VanDerWaalsContact C-N 3.34Å
364	L	75.9	Confident	80.5	Confident	74 Å²	74	50.2 Å²	50.2	39%	0.387	28%	0.276	S	S	.	.	S	Bend	trans	-67.4	-36.9	174.9	-175.7	65.4	0	0	0	112.1	Y151 V362 I372 Q373 K374	Y151-L364 PolarHBondContact OH-N 3.44Å; Y151-L364 VanDerWaalsContact OH-N 3.14Å; V362-L364 PolarHBondContact O-N 3.16Å; V362-L364 VanDerWaalsContact O-N 3.07Å; L364-I372 HydrophobicContact CD1-CG2 3.68Å; L364-I372 HydrophobicContact CG-CG2 4.16Å; L364-I372 CarbonylContact O-C 3.51Å; L364-I372 WeakPolarHBondContact O-CA 3.35Å; L364-Q373 WeakPolarHBondContact CA-O 3.24Å; L364-Q373 PolarHBondContact O-N 2.75Å; L364-K374 HydrophobicContact CD1-CG 3.82Å
365	H	77.8	Confident	79.8	Confident	59 Å²	59	53.1 Å²	53.1	27%	0.273	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-106.9	115.2	-178.3	-66	-74.2	0	0	0	110.9	R146 V148 Y151 G363	R146-H365 PolarHBondContact NE-O 2.97Å; V148-H365 HydrophobicContact CB-CB 4.39Å; Y151-H365 PolarHBondContact OH-N 2.85Å; Y151-H365 VanDerWaalsContact OH-N 3.14Å; G363-H365 VanDerWaalsContact C-N 3.34Å
366	S	79.4	Confident	79.1	Confident	24 Å²	24	50.8 Å²	50.8	17%	0.168	29%	0.294	C	S	.	.			trans	-66.3	154.8	176.9	167.8	0	0	0	0	112.1	L368 K371	S366-L368 VanDerWaalsContact C-N 3.28Å; S366-L368 WeakPolarHBondContact OG-CB 3.44Å; S366-L368 PolarHBondContact OG-N 2.78Å; S366-L368 PolarHBondContact OG-O 3.04Å; S366-K371 WeakPolarHBondContact CB-O 3.43Å; S366-K371 PolarHBondContact N-O 3.21Å
367	S	76.8	Confident	78.4	Confident	37 Å²	37	50.5 Å²	50.5	26%	0.259	29%	0.292	S	S	.	.	S	Bend	trans	-65.2	-31.4	167.5	57.7	0	0	0	0	112.6	W234 A369	W234-S367 PolarHBondContact NE1-OG 2.87Å; S367-A369 PolarHBondContact O-N 3.45Å
368	L	75.8	Confident	77.5	Confident	32 Å²	32	58.8 Å²	58.8	17%	0.168	33%	0.328	C	S	.	.	S	Bend	trans	-68	116.8	164.9	-173.1	65.7	0	0	0	110.3	W234 S366 G370 K371	W234-L368 HydrophobicContact CB-CD1 4.11Å; W234-L368 HydrophobicContact CD2-CB 4.47Å; W234-L368 HydrophobicContact CG-CD1 4.06Å; S366-L368 VanDerWaalsContact C-N 3.28Å; S366-L368 WeakPolarHBondContact OG-CB 3.44Å; S366-L368 PolarHBondContact OG-N 2.78Å; S366-L368 PolarHBondContact OG-O 3.04Å; L368-G370 PolarHBondContact O-N 3.14Å; L368-K371 HydrophobicContact CD2-CD 4.35Å; L368-K371 WeakPolarHBondContact O-CB 3.49Å; L368-K371 PolarHBondContact O-N 3.14Å
369	A	73.1	Confident	76.4	Confident	73 Å²	73	59.2 Å²	59.2	60%	0.603	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	135.4	-174	0	0	0	0	0	112.9	S367 K371	S367-A369 PolarHBondContact O-N 3.45Å; A369-K371 VanDerWaalsContact C-N 3.25Å; A369-K371 PolarHBondContact O-N 2.88Å
370	G	68.8	Low	75.1	Confident	84 Å²	84	60.7 Å²	60.7	87%	0.866	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-8.6	177.6	0	0	0	0	0	115.3	L368	L368-G370 PolarHBondContact O-N 3.14Å
371	K	75.3	Confident	74.2	Confident	85 Å²	85	67 Å²	67	37%	0.37	37%	0.37	S	S	.	.			trans	-86.1	118.3	179.3	-176.4	-175.8	-177.9	-149.4	0	111.1	S366 L368 A369	S366-K371 WeakPolarHBondContact CB-O 3.43Å; S366-K371 PolarHBondContact N-O 3.21Å; L368-K371 HydrophobicContact CD2-CD 4.35Å; L368-K371 WeakPolarHBondContact O-CB 3.49Å; L368-K371 PolarHBondContact O-N 3.14Å; A369-K371 VanDerWaalsContact C-N 3.25Å; A369-K371 PolarHBondContact O-N 2.88Å
372	I	69.9	Low	73.3	Confident	106 Å²	106	70.4 Å²	70.4	54%	0.544	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-95.3	129.4	171.9	-61.4	175.2	0	0	0	108.4	L364	L364-I372 HydrophobicContact CD1-CG2 3.68Å; L364-I372 HydrophobicContact CG-CG2 4.16Å; L364-I372 CarbonylContact O-C 3.51Å; L364-I372 WeakPolarHBondContact O-CA 3.35Å
373	Q	66.8	Low	72.3	Confident	43 Å²	43	69.4 Å²	69.4	20%	0.201	38%	0.38	C	S	.	.			trans	-122.9	117.6	-174.4	-164.7	67.6	68.5	0	0	110.3	L364 L375	L364-Q373 WeakPolarHBondContact CA-O 3.24Å; L364-Q373 PolarHBondContact O-N 2.75Å; Q373-L375 HydrophobicContact CG-CB 4.45Å; Q373-L375 HydrophobicContact CG-CD1 3.59Å; Q373-L375 HydrophobicContact CG-CG 3.62Å
374	K	74.4	Confident	72	Confident	174 Å²	174	72.9 Å²	72.9	76%	0.757	40%	0.398	S	S	*	.			trans	-116	58.6	174.8	-63.6	-177.9	-178.5	-179.3	0	109.8	L364	L364-K374 HydrophobicContact CD1-CG 3.82Å
375	L	73.8	Confident	72.3	Confident	68 Å²	68	70.9 Å²	70.9	36%	0.356	39%	0.387	S	S	.	.			trans	-79.4	132.3	178	-67.8	167.8	0	0	0	109.8	L293 Q360 Q373	L293-L375 HydrophobicContact CD1-CB 3.93Å; L293-L375 HydrophobicContact CD2-CB 4.25Å; L293-L375 HydrophobicContact CD2-CD2 4.45Å; Q360-L375 PolarHBondContact NE2-O 3.24Å; Q373-L375 HydrophobicContact CG-CB 4.45Å; Q373-L375 HydrophobicContact CG-CD1 3.59Å; Q373-L375 HydrophobicContact CG-CG 3.62Å
376	T	69.7	Low	72.6	Confident	99 Å²	99	69 Å²	69	61%	0.607	38%	0.379	S	S	*	.			trans	-123.5	126.9	170.1	-51.9	0	0	0	0	107.9	K378	T376-K378 PolarHBondContact O-N 2.77Å
377	D	72	Confident	72.7	Confident	2 Å²	2	73.4 Å²	73.4	1%	0.011	40%	0.395	C	S	.	.			trans	-78.2	119.9	175.2	-171.1	-52.6	0	0	0	108.3	S291 Q292 L293 S357 D379 F380	S291-D377 PolarHBondContact OG-OD2 3.43Å; Q292-D377 PolarHBondContact N-OD2 2.71Å; L293-D377 HydrophobicContact CD1-CB 3.83Å; L293-D377 HydrophobicContact CG-CB 3.99Å; S357-D377 WeakPolarHBondContact CB-OD1 3.5Å; S357-D377 PolarHBondContact OG-OD1 3.38Å; S357-D377 PolarHBondContact OG-OD2 3.32Å; S357-D377 VanDerWaalsContact OG-OD2 3.06Å; D377-D379 PolarHBondContact O-N 3.12Å; D377-D379 VanDerWaalsContact O-N 3.17Å; D377-D379 PolarHBondContact OD1-N 3Å; D377-F380 HydrophobicContact CB-CB 3.94Å; D377-F380 PolarHBondContact O-N 3Å; D377-F380 VanDerWaalsContact O-N 3.13Å; D377-F380 PolarHBondContact OD1-N 2.96Å
378	K	72.1	Confident	72.8	Confident	173 Å²	173	73.7 Å²	73.7	75%	0.752	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-27.2	-172.2	-66.8	-178	-179.7	178.7	0	113.1	T376	T376-K378 PolarHBondContact O-N 2.77Å
379	D	69.9	Low	73.1	Confident	12 Å²	12	74 Å²	74	6%	0.064	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-5.8	-177.6	-67.2	-22.7	0	0	0	112.1	Q292 R355 P356 D377 L381 K382	Q292-D379 PolarHBondContact NE2-OD2 2.97Å; R355-D379 IonicContact NE-OD2 2.67Å; P356-D379 WeakPolarHBondContact CB-O 2.99Å; D377-D379 PolarHBondContact O-N 3.12Å; D377-D379 VanDerWaalsContact O-N 3.17Å; D377-D379 PolarHBondContact OD1-N 3Å; D379-L381 PolarHBondContact O-N 3.24Å; D379-K382 HydrophobicContact CB-CD 4.47Å; D379-K382 PolarHBondContact O-N 3Å; D379-K382 WeakPolarHBondContact OD1-CD 3.28Å; D379-K382 VanDerWaalsContact OD1-CE 3.29Å; D379-K382 WeakPolarHBondContact OD1-CE 3.32Å; D379-K382 IonicContact OD1-NZ 3.16Å; D379-K382 PolarHBondContact OD1-NZ 3.02Å
380	F	67.4	Low	73.5	Confident	31 Å²	31	76.9 Å²	76.9	14%	0.136	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-40.4	-178	-178.7	-101.3	0	0	0	113	K266 Q360 D377 K382	K266-F380 WeakPolarHBondContact CE-O 3.3Å; K266-F380 HydrophobicContact CG-CD2 4.33Å; K266-F380 HydrophobicContact CG-CE2 3.73Å; K266-F380 HydrophobicContact CG-CZ 4.18Å; K266-F380 PolarHBondContact NZ-O 2.88Å; Q360-F380 HydrophobicContact CB-CB 4.41Å; Q360-F380 HydrophobicContact CB-CD1 3.57Å; Q360-F380 HydrophobicContact CB-CD2 3.65Å; Q360-F380 HydrophobicContact CB-CE1 3.55Å; Q360-F380 HydrophobicContact CB-CE2 3.6Å; Q360-F380 HydrophobicContact CB-CG 3.62Å; Q360-F380 HydrophobicContact CB-CZ 3.56Å; Q360-F380 HydrophobicContact CG-CD1 3.98Å; Q360-F380 HydrophobicContact CG-CE1 4.1Å; Q360-F380 HydrophobicContact CG-CG 4.34Å; D377-F380 HydrophobicContact CB-CB 3.94Å; D377-F380 PolarHBondContact O-N 3Å; D377-F380 VanDerWaalsContact O-N 3.13Å; D377-F380 PolarHBondContact OD1-N 2.96Å; F380-K382 VanDerWaalsContact C-N 3.26Å; F380-K382 PolarHBondContact O-N 3.18Å
381	L	70.1	Confident	74.4	Confident	150 Å²	150	73.8 Å²	73.8	79%	0.785	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-6.2	177	-65.3	177.5	0	0	0	113.4	D379	D379-L381 PolarHBondContact O-N 3.24Å
382	K	67.4	Low	75.1	Confident	87 Å²	87	69.8 Å²	69.8	38%	0.378	35%	0.349	S	S	.	.	S	Bend	trans	-72.4	136.7	179.8	-68.3	-173.5	-176.5	168.4	0	110.8	K266 P356 D379 F380	K266-K382 PolarHBondContact NZ-O 3.32Å; P356-K382 HydrophobicContact CB-CB 4.29Å; P356-K382 WeakPolarHBondContact CB-O 3.44Å; D379-K382 HydrophobicContact CB-CD 4.47Å; D379-K382 PolarHBondContact O-N 3Å; D379-K382 WeakPolarHBondContact OD1-CD 3.28Å; D379-K382 VanDerWaalsContact OD1-CE 3.29Å; D379-K382 WeakPolarHBondContact OD1-CE 3.32Å; D379-K382 IonicContact OD1-NZ 3.16Å; D379-K382 PolarHBondContact OD1-NZ 3.02Å; F380-K382 VanDerWaalsContact C-N 3.26Å; F380-K382 PolarHBondContact O-N 3.18Å
383	P	64.4	Low	75.9	Confident	44 Å²	44	68.2 Å²	68.2	29%	0.286	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-67	152.1	172.6	31.7	-37	0	0	0	110.1	L385 Q449	P383-L385 HydrophobicContact CG-CD2 4.22Å; P383-L385 PolarHBondContact O-N 3.34Å; P383-Q449 HydrophobicContact CB-CG 4.47Å; P383-Q449 HydrophobicContact CG-CB 3.99Å; P383-Q449 HydrophobicContact CG-CG 4.32Å
384	L	71.3	Confident	77.1	Confident	74 Å²	74	67.2 Å²	67.2	39%	0.387	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-63.4	123	162.7	-94	148.7	0	0	0	108.2	F354 P356 H386	F354-L384 HydrophobicContact CZ-CD2 4.23Å; P356-L384 HydrophobicContact CG-CD2 4.5Å; P356-L384 HydrophobicContact CG-CG 3.88Å; L384-H386 VanDerWaalsContact C-N 3.27Å
385	L	83	Confident	78	Confident	31 Å²	31	64.3 Å²	64.3	16%	0.162	33%	0.334	C	S	.	.	S	Bend	trans	-82.6	-8.6	-179.1	-58	179.8	0	0	0	113	P383 F417 N448 E450 S524	P383-L385 HydrophobicContact CG-CD2 4.22Å; P383-L385 PolarHBondContact O-N 3.34Å; L385-F417 HydrophobicContact CB-CD1 4.02Å; L385-F417 HydrophobicContact CB-CE1 4.1Å; L385-F417 HydrophobicContact CD1-CE1 3.94Å; L385-N448 HydrophobicContact CB-CB 4.21Å; L385-N448 HydrophobicContact CD2-CB 4.47Å; L385-N448 WeakPolarHBondContact O-CB 3.29Å; L385-E450 HydrophobicContact CD1-CG 4.28Å; L385-E450 WeakPolarHBondContact CD1-OE2 3.15Å; L385-E450 HydrophobicContact CD2-CB 4.23Å; L385-E450 HydrophobicContact CD2-CG 3.74Å; L385-S524 WeakPolarHBondContact O-CB 3.32Å
386	H	83.1	Confident	79.1	Confident	20 Å²	20	61.9 Å²	61.9	9%	0.093	32%	0.322	C	S	.	.	S	Bend	trans	-137	163.7	177.4	67.5	-92.2	0	0	0	110.4	L384 G414 F417 S524	L384-H386 VanDerWaalsContact C-N 3.27Å; H386-G414 PolarHBondContact NE2-O 2.97Å; H386-F417 HydrophobicContact CB-CB 4.06Å; H386-S524 CarbonylContact C-O 3.58Å; H386-S524 WeakPolarHBondContact CA-O 3.45Å; H386-S524 VanDerWaalsContact CB-O 3.3Å; H386-S524 WeakPolarHBondContact CB-O 3.48Å
387	K	81	Confident	80.3	Confident	116 Å²	116	59 Å²	59	50%	0.504	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-124.9	120.7	175.3	-175.9	164.4	163.1	-137	0	110.4	S524 E525	K387-S524 PolarHBondContact N-O 3.5Å; K387-E525 HydrophobicContact CB-CB 4.24Å; K387-E525 HydrophobicContact CB-CG 3.91Å; K387-E525 WeakPolarHBondContact CD-OE1 3.43Å; K387-E525 VanDerWaalsContact CE-OE1 3.23Å; K387-E525 WeakPolarHBondContact CE-OE1 3.23Å; K387-E525 HydrophobicContact CG-CG 4.31Å; K387-E525 IonicContact NZ-OE1 3.28Å; K387-E525 PolarHBondContact NZ-OE1 2.93Å
388	M	80.6	Confident	81.5	Confident	44 Å²	44	60.5 Å²	60.5	22%	0.217	32%	0.315	C	S	.	.			trans	-84.2	139.7	-174.5	58.6	-179.4	63.9	0	0	112.4	F354	F354-M388 HydrophobicContact CE2-CE 4.29Å; F354-M388 HydrophobicContact CZ-CE 4.47Å
389	H	81.3	Confident	82.7	Confident	39 Å²	39	54.8 Å²	54.8	18%	0.181	30%	0.297	C	S	.	.			trans	-143.1	153.5	174.1	-62.9	-73.7	0	0	0	110.1	N391 E525 H527	H389-N391 PolarHBondContact O-N 3.17Å; H389-E525 IonicContact CD2-OE1 2.69Å; H389-E525 IonicContact CE1-OE1 3.05Å; H389-E525 WeakPolarHBondContact NE2-CG 3.17Å; H389-E525 IonicContact NE2-OE1 3.33Å; H389-E525 PolarHBondContact NE2-OE1 2.87Å; H389-H527 HydrophobicContact CB-CB 4.3Å; H389-H527 AromaticContact CD2-CG 3.87Å; H389-H527 AromaticContact CD2-ND1 3.58Å; H389-H527 AromaticContact CE1-CE1 3.86Å; H389-H527 AromaticContact CE1-ND1 3.09Å; H389-H527 PolarHBondContact CE1-ND1 3.44Å; H389-H527 AromaticContact CG-CE1 3.98Å; H389-H527 AromaticContact CG-CG 3.67Å; H389-H527 AromaticContact CG-ND1 3.22Å; H389-H527 AromaticContact ND1-CE1 3.4Å; H389-H527 PolarHBondContact ND1-CE1 3.13Å; H389-H527 AromaticContact ND1-CG 3.81Å; H389-H527 AromaticContact ND1-ND1 2.89Å; H389-H527 PolarHBondContact ND1-ND1 2.86Å; H389-H527 AromaticContact NE2-ND1 3.46Å; H389-H527 PolarHBondContact NE2-ND1 2.78Å
390	V	80.4	Confident	83.9	Confident	132 Å²	132	54.7 Å²	54.7	80%	0.8	30%	0.296	S	S	*	.			trans	-84.3	95.7	173.3	-177.1	0	0	0	0	109
391	N	87.9	Confident	85.1	Confident	19 Å²	19	60.4 Å²	60.4	10%	0.102	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-81.1	160.7	178.5	-69.2	-54.1	0	0	0	112.3	H389 Y412 I526 H527 I528	H389-N391 PolarHBondContact O-N 3.17Å; N391-Y412 HydrophobicContact CB-CE1 3.94Å; N391-Y412 HydrophobicContact CB-CE2 3.97Å; N391-Y412 PolarHBondContact ND2-O 2.96Å; N391-I526 PolarHBondContact ND2-O 3.21Å; N391-I526 PolarHBondContact OD1-O 3.27Å; N391-H527 WeakPolarHBondContact OD1-CA 3.31Å; N391-I528 PolarHBondContact OD1-N 3.31Å
392	P	90.1	Very high	86.3	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-62.4	147.8	170.3	-15.1	29.1	0	0	0	110.9	A394 Y412 F433 V437 I528 R530	P392-A394 PolarHBondContact O-N 3.03Å; P392-Y412 VanDerWaalsContact O-CE1 3.22Å; P392-Y412 WeakPolarHBondContact O-CE1 3.33Å; P392-Y412 PolarHBondContact O-OH 2.8Å; P392-F433 HydrophobicContact CB-CD1 3.92Å; P392-F433 HydrophobicContact CB-CE1 3.96Å; P392-F433 HydrophobicContact CG-CD1 4.45Å; P392-F433 HydrophobicContact CG-CE1 4.01Å; P392-V437 HydrophobicContact CB-CG1 4.22Å; P392-V437 HydrophobicContact CB-CG2 3.97Å; P392-V437 HydrophobicContact CG-CG1 4.05Å; P392-I528 WeakPolarHBondContact CD-O 3.38Å; P392-I528 HydrophobicContact CG-CB 4.31Å; P392-I528 HydrophobicContact CG-CG2 4Å; P392-R530 HydrophobicContact CB-CG 4.45Å; P392-R530 HydrophobicContact CG-CG 3.75Å
393	P	87.4	Confident	87.3	Confident	74 Å²	74	55 Å²	55	48%	0.481	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-58	126.9	174.2	-25	35.1	0	0	0	111.8	D434	P393-D434 VanDerWaalsContact CB-OD2 3.23Å; P393-D434 WeakPolarHBondContact CB-OD2 3.47Å; P393-D434 PolarHBondContact O-N 3.24Å
394	A	91.7	Very high	88.1	Confident	22 Å²	22	59.4 Å²	59.4	18%	0.182	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	144.9	-179.7	0	0	0	0	0	111.6	P392 Y412 K432 F433	P392-A394 PolarHBondContact O-N 3.03Å; A394-Y412 HydrophobicContact CB-CE1 3.73Å; A394-Y412 WeakPolarHBondContact CB-OH 3.25Å; A394-K432 CarbonylContact C-O 3.53Å; A394-K432 VanDerWaalsContact CA-O 3.23Å; A394-K432 WeakPolarHBondContact CA-O 3.43Å; A394-K432 WeakPolarHBondContact CB-O 3.02Å; A394-F433 HydrophobicContact CB-CD1 3.82Å; A394-F433 HydrophobicContact CB-CE1 4.29Å
395	E	94.3	Very high	88.6	Confident	112 Å²	112	57.4 Å²	57.4	52%	0.523	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	119.4	160.3	-176.9	-176	-170.8	0	0	108.1	K432	E395-K432 HydrophobicContact CB-CB 4.47Å; E395-K432 PolarHBondContact N-O 3.33Å; E395-K432 PolarHBondContact O-N 2.9Å; E395-K432 IonicContact OE2-NZ 3.29Å; E395-K432 PolarHBondContact OE2-NZ 3.08Å
396	V	95.6	Very high	88.8	Confident	18 Å²	18	57.5 Å²	57.5	11%	0.109	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	140.9	179	-55.5	0	0	0	0	110.8	L408 E409 Y412 L430 F431	V396-L408 HydrophobicContact CB-CD2 3.8Å; V396-L408 HydrophobicContact CB-CG 4.04Å; V396-L408 HydrophobicContact CG2-CB 4.46Å; V396-L408 HydrophobicContact CG2-CD2 4.08Å; V396-L408 HydrophobicContact CG2-CG 3.93Å; V396-E409 HydrophobicContact CG2-CB 4.22Å; V396-E409 HydrophobicContact CG2-CG 3.75Å; V396-Y412 HydrophobicContact CG1-CD1 3.76Å; V396-Y412 HydrophobicContact CG1-CD2 3.85Å; V396-Y412 HydrophobicContact CG1-CE1 4.21Å; V396-Y412 HydrophobicContact CG1-CE2 4.3Å; V396-Y412 HydrophobicContact CG1-CG 3.54Å; V396-L430 CarbonylContact C-O 3.58Å; V396-L430 VanDerWaalsContact CA-O 3.31Å; V396-L430 WeakPolarHBondContact CA-O 3.49Å; V396-F431 HydrophobicContact CB-CD1 4.43Å; V396-F431 HydrophobicContact CG1-CD1 3.65Å; V396-F431 HydrophobicContact CG1-CE1 4.24Å
397	S	96.4	Very high	89.2	Confident	37 Å²	37	58.3 Å²	58.3	26%	0.259	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.1	176.8	58.1	0	0	0	0	111	L408 I429 L430	S397-L408 WeakPolarHBondContact O-CD2 3.31Å; S397-I429 CarbonylContact O-C 3.53Å; S397-L430 PolarHBondContact N-O 3.49Å; S397-L430 PolarHBondContact O-N 3.43Å
398	T	96.9	Very high	89.8	Confident	34 Å²	34	52.8 Å²	52.8	21%	0.209	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	147.6	177.9	178.5	0	0	0	0	110.2	M400 L408 F418 Y428	T398-M400 WeakPolarHBondContact OG1-CB 3.22Å; T398-M400 PolarHBondContact OG1-N 2.67Å; T398-M400 VanDerWaalsContact OG1-N 3.07Å; T398-L408 HydrophobicContact CG2-CB 4.33Å; T398-L408 HydrophobicContact CG2-CD2 4.23Å; T398-F418 HydrophobicContact CG2-CE2 3.91Å; T398-F418 HydrophobicContact CG2-CZ 3.87Å; T398-Y428 VanDerWaalsContact CA-O 3.23Å; T398-Y428 WeakPolarHBondContact CA-O 3.42Å; T398-Y428 WeakPolarHBondContact CB-O 3.3Å; T398-Y428 PolarHBondContact OG1-O 2.84Å
399	S	96.3	Very high	90.2	Very high	53 Å²	53	55 Å²	55	37%	0.371	30%	0.3	S	S	.	.	S	Bend	trans	-84.6	-16	169.3	60.4	0	0	0	0	112.6	D427 Y428	S399-D427 WeakPolarHBondContact CB-OD1 3.31Å; S399-D427 WeakPolarHBondContact OG-CA 3.24Å; S399-D427 WeakPolarHBondContact OG-CB 3.21Å; S399-D427 PolarHBondContact OG-OD1 3.34Å; S399-Y428 PolarHBondContact N-O 3.45Å; S399-Y428 VanDerWaalsContact N-O 3.16Å; S399-Y428 PolarHBondContact OG-N 3.09Å
400	M	94.7	Very high	90.2	Very high	11 Å²	11	56.8 Å²	56.8	5%	0.054	31%	0.307	C	S	.	.	S	Bend	trans	-73.6	142.3	-176.5	-54.6	176.1	-169.9	0	0	111.1	T398 V402 F418 A420 P423 D427 I429 V513	T398-M400 WeakPolarHBondContact OG1-CB 3.22Å; T398-M400 PolarHBondContact OG1-N 2.67Å; T398-M400 VanDerWaalsContact OG1-N 3.07Å; M400-V402 PolarHBondContact O-N 3.42Å; M400-F418 HydrophobicContact CB-CZ 4.19Å; M400-F418 HydrophobicContact SD-CE1 4.03Å; M400-F418 HydrophobicContact SD-CZ 4.47Å; M400-A420 HydrophobicContact CB-CB 3.76Å; M400-A420 HydrophobicContact SD-CB 4.38Å; M400-P423 HydrophobicContact CE-CB 4.09Å; M400-P423 HydrophobicContact CE-CG 4.3Å; M400-P423 HydrophobicContact SD-CB 4.2Å; M400-P423 HydrophobicContact SD-CG 3.97Å; M400-D427 HydrophobicContact CE-CB 3.91Å; M400-D427 HydrophobicContact CG-CB 3.84Å; M400-I429 HydrophobicContact CE-CD1 4.38Å; M400-I429 HydrophobicContact CE-CG1 4.22Å; M400-I429 HydrophobicContact SD-CD1 4.42Å; M400-I429 HydrophobicContact SD-CG1 4.44Å; M400-V513 HydrophobicContact CE-CG2 3.37Å
401	K	93.8	Very high	90.7	Very high	150 Å²	150	50.9 Å²	50.9	65%	0.652	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-80.3	118.5	-179.8	178.5	-175.6	-174.3	-175.1	0	111.3	A420 I421	K401-A420 VanDerWaalsContact O-CA 3.32Å; K401-A420 WeakPolarHBondContact O-CA 3.35Å; K401-A420 WeakPolarHBondContact O-CB 3.41Å; K401-I421 HydrophobicContact CB-CD1 3.83Å; K401-I421 HydrophobicContact CB-CG1 3.79Å; K401-I421 HydrophobicContact CD-CD1 3.72Å; K401-I421 HydrophobicContact CD-CG1 4.42Å; K401-I421 HydrophobicContact CG-CD1 4.19Å; K401-I421 HydrophobicContact CG-CG1 4.37Å; K401-I421 PolarHBondContact O-N 2.78Å
402	V	94.3	Very high	90.8	Very high	53 Å²	53	50.7 Å²	50.7	32%	0.321	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-65.3	139.9	-179.2	-176.9	0	0	0	0	112	M400 H406 T407 F418	M400-V402 PolarHBondContact O-N 3.42Å; V402-H406 WeakPolarHBondContact CG1-O 3.33Å; V402-T407 HydrophobicContact CG1-CG2 3.97Å; V402-F418 HydrophobicContact CG2-CE2 4Å
403	Y	88.4	Confident	90.2	Very high	71 Å²	71	55.4 Å²	55.4	28%	0.278	29%	0.294	S	S	.	.	S	Bend	trans	-106.9	137.6	174.6	-174.4	-106.9	0	0	0	111.5	G405 H406 W419 W520	Y403-G405 PolarHBondContact O-N 2.81Å; Y403-H406 PolarHBondContact O-N 2.86Å; Y403-H406 VanDerWaalsContact O-N 3.09Å; Y403-W419 AromaticContact CD1-CD2 3.63Å; Y403-W419 HydrophobicContact CD1-CD2 3.63Å; Y403-W419 AromaticContact CD1-CE2 3.96Å; Y403-W419 AromaticContact CD1-CE3 3.49Å; Y403-W419 HydrophobicContact CD1-CE3 3.49Å; Y403-W419 VanDerWaalsContact CD1-CE3 3.49Å; Y403-W419 HydrophobicContact CD1-CG 4.28Å; Y403-W419 AromaticContact CD1-CH2 3.99Å; Y403-W419 HydrophobicContact CD1-CH2 3.99Å; Y403-W419 HydrophobicContact CD1-CZ2 4.14Å; Y403-W419 AromaticContact CD1-CZ3 3.66Å; Y403-W419 HydrophobicContact CD1-CZ3 3.66Å; Y403-W419 HydrophobicContact CE1-CD2 4.31Å; Y403-W419 AromaticContact CE1-CE3 3.93Å; Y403-W419 HydrophobicContact CE1-CE3 3.93Å; Y403-W419 AromaticContact CE1-CH2 3.66Å; Y403-W419 HydrophobicContact CE1-CH2 3.66Å; Y403-W419 HydrophobicContact CE1-CZ2 4.08Å; Y403-W419 AromaticContact CE1-CZ3 3.57Å; Y403-W419 HydrophobicContact CE1-CZ3 3.57Å; Y403-W419 PolarHBondContact N-O 3.46Å; Y403-W520 HydrophobicContact CD1-CE3 4.46Å; Y403-W520 AromaticContact CD1-CZ3 3.81Å; Y403-W520 HydrophobicContact CD1-CZ3 3.81Å; Y403-W520 AromaticContact CD2-CH2 3.97Å; Y403-W520 HydrophobicContact CD2-CH2 3.97Å; Y403-W520 AromaticContact CD2-CZ3 3.93Å; Y403-W520 HydrophobicContact CD2-CZ3 3.93Å; Y403-W520 HydrophobicContact CE1-CH2 4.28Å; Y403-W520 AromaticContact CE1-CZ3 3.64Å; Y403-W520 HydrophobicContact CE1-CZ3 3.64Å; Y403-W520 AromaticContact CE2-CH2 3.63Å; Y403-W520 HydrophobicContact CE2-CH2 3.63Å; Y403-W520 AromaticContact CE2-CZ3 3.8Å; Y403-W520 HydrophobicContact CE2-CZ3 3.8Å; Y403-W520 HydrophobicContact CG-CH2 4.43Å; Y403-W520 AromaticContact CG-CZ3 3.94Å; Y403-W520 HydrophobicContact CG-CZ3 3.94Å; Y403-W520 AromaticContact CZ-CH2 3.78Å; Y403-W520 AromaticContact CZ-CZ3 3.62Å
404	Q	81.3	Confident	89.7	Confident	136 Å²	136	52 Å²	52	64%	0.636	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	15.8	175.1	-73.7	-174.7	4.2	0	0	117.6
405	G	82.6	Confident	88.7	Confident	33 Å²	33	53.9 Å²	53.9	34%	0.34	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	15.1	179.8	0	0	0	0	0	114.9	Y403 T407 K410	Y403-G405 PolarHBondContact O-N 2.81Å; G405-T407 PolarHBondContact O-N 3.5Å; G405-T407 VanDerWaalsContact O-N 3.09Å; G405-K410 PolarHBondContact O-NZ 2.86Å
406	H	87.5	Confident	88.1	Confident	32 Å²	32	50 Å²	50	15%	0.148	26%	0.261	C	S	.	.			trans	-79.4	69.3	169.8	-68.2	-68.6	0	0	0	110.3	V402 Y403 D416 F417 F418 W419	V402-H406 WeakPolarHBondContact CG1-O 3.33Å; Y403-H406 PolarHBondContact O-N 2.86Å; Y403-H406 VanDerWaalsContact O-N 3.09Å; H406-D416 IonicContact CE1-OD1 2.9Å; H406-D416 IonicContact CE1-OD2 3.57Å; H406-D416 PolarHBondContact CE1-OD2 2.81Å; H406-D416 IonicContact CG-OD2 3.74Å; H406-D416 VanDerWaalsContact ND1-CG 3.27Å; H406-D416 IonicContact ND1-OD1 3.69Å; H406-D416 PolarHBondContact ND1-OD1 3.1Å; H406-D416 IonicContact ND1-OD2 2.78Å; H406-D416 PolarHBondContact ND1-OD2 3.22Å; H406-F417 WeakPolarHBondContact CB-O 3.41Å; H406-F417 AromaticContact CE1-CE1 3.65Å; H406-F417 AromaticContact CE1-CZ 3.51Å; H406-F417 AromaticContact ND1-CE1 3.79Å; H406-F417 AromaticContact ND1-CZ 3.7Å; H406-F417 AromaticContact NE2-CZ 3.81Å; H406-F418 WeakPolarHBondContact O-CA 3.36Å; H406-F418 WeakPolarHBondContact O-CD2 3.43Å; H406-W419 HydrophobicContact CB-CB 3.6Å; H406-W419 AromaticContact CD2-CE3 3.62Å; H406-W419 AromaticContact NE2-CE3 3.97Å; H406-W419 PolarHBondContact O-N 2.9Å
407	T	91.1	Very high	87.9	Confident	37 Å²	37	49.6 Å²	49.6	23%	0.227	26%	0.257	C	S	.	.			trans	-79.1	153.6	-171	54	0	0	0	0	112.6	V402 G405 E409 K410 T411	V402-T407 HydrophobicContact CG1-CG2 3.97Å; G405-T407 PolarHBondContact O-N 3.5Å; G405-T407 VanDerWaalsContact O-N 3.09Å; T407-E409 VanDerWaalsContact C-N 3.28Å; T407-E409 WeakPolarHBondContact CB-OE2 3.3Å; T407-E409 PolarHBondContact O-N 3.1Å; T407-K410 PolarHBondContact O-N 2.88Å; T407-K410 WeakPolarHBondContact OG1-CD 3.47Å; T407-K410 VanDerWaalsContact OG1-CG 3.25Å; T407-K410 WeakPolarHBondContact OG1-CG 3.42Å; T407-T411 PolarHBondContact O-N 3.33Å; T407-T411 PolarHBondContact O-OG1 3.18Å; T407-T411 VanDerWaalsContact O-OG1 3.08Å
408	L	93.1	Very high	87.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-34.4	-177.6	178.4	65.9	0	0	0	112.2	V396 S397 T398 T411 Y412 F418 I429 F431 L523 I526	V396-L408 HydrophobicContact CB-CD2 3.8Å; V396-L408 HydrophobicContact CB-CG 4.04Å; V396-L408 HydrophobicContact CG2-CB 4.46Å; V396-L408 HydrophobicContact CG2-CD2 4.08Å; V396-L408 HydrophobicContact CG2-CG 3.93Å; S397-L408 WeakPolarHBondContact O-CD2 3.31Å; T398-L408 HydrophobicContact CG2-CB 4.33Å; T398-L408 HydrophobicContact CG2-CD2 4.23Å; L408-T411 WeakPolarHBondContact O-CB 3.25Å; L408-T411 PolarHBondContact O-N 3.28Å; L408-Y412 PolarHBondContact O-N 3.48Å; L408-F418 HydrophobicContact CB-CD2 3.8Å; L408-F418 HydrophobicContact CB-CE2 3.95Å; L408-F418 HydrophobicContact CD1-CD2 4.5Å; L408-F418 HydrophobicContact CD1-CG 4.43Å; L408-I429 HydrophobicContact CD1-CG2 3.73Å; L408-I429 HydrophobicContact CD2-CG2 3.68Å; L408-I429 HydrophobicContact CG-CG2 4.36Å; L408-F431 HydrophobicContact CD1-CE1 4.25Å; L408-L523 HydrophobicContact CD1-CD2 4.5Å; L408-I526 HydrophobicContact CD1-CD1 4.28Å
409	E	88.4	Confident	87.8	Confident	90 Å²	90	47 Å²	47	42%	0.421	24%	0.238	S	C	.	.	H	α-helix	trans	-57.9	-52	178.3	-63.7	71.9	-161.2	0	0	110.4	V396 T407 T411 Y412 L413	V396-E409 HydrophobicContact CG2-CB 4.22Å; V396-E409 HydrophobicContact CG2-CG 3.75Å; T407-E409 VanDerWaalsContact C-N 3.28Å; T407-E409 WeakPolarHBondContact CB-OE2 3.3Å; T407-E409 PolarHBondContact O-N 3.1Å; E409-T411 VanDerWaalsContact C-N 3.27Å; E409-T411 PolarHBondContact O-N 3.5Å; E409-Y412 PolarHBondContact O-N 3.06Å; E409-L413 WeakPolarHBondContact O-CG 3.5Å; E409-L413 PolarHBondContact O-N 2.71Å
410	K	82.9	Confident	87.7	Confident	77 Å²	77	44.5 Å²	44.5	34%	0.335	22%	0.221	S	C	.	.	H	α-helix	trans	-57.9	-39.8	175.1	-68.4	180	-176.2	173.2	0	111.9	G405 T407 L413 G414 E415 D416	G405-K410 PolarHBondContact O-NZ 2.86Å; T407-K410 PolarHBondContact O-N 2.88Å; T407-K410 WeakPolarHBondContact OG1-CD 3.47Å; T407-K410 VanDerWaalsContact OG1-CG 3.25Å; T407-K410 WeakPolarHBondContact OG1-CG 3.42Å; K410-L413 PolarHBondContact O-N 3.06Å; K410-G414 PolarHBondContact O-N 3.5Å; K410-E415 HydrophobicContact CB-CB 4.1Å; K410-E415 PolarHBondContact O-N 2.92Å; K410-D416 HydrophobicContact CB-CB 3.89Å; K410-D416 HydrophobicContact CD-CB 4.35Å; K410-D416 PolarHBondContact O-N 3.23Å
411	T	90.4	Very high	87.6	Confident	8 Å²	8	46.9 Å²	46.9	5%	0.049	23%	0.233	C	C	.	.	H	α-helix	trans	-66.4	-42	177.7	-44.2	0	0	0	0	112.9	T407 L408 E409 L413 G414 D416 F417 F418 L523 I526	T407-T411 PolarHBondContact O-N 3.33Å; T407-T411 PolarHBondContact O-OG1 3.18Å; T407-T411 VanDerWaalsContact O-OG1 3.08Å; L408-T411 WeakPolarHBondContact O-CB 3.25Å; L408-T411 PolarHBondContact O-N 3.28Å; E409-T411 VanDerWaalsContact C-N 3.27Å; E409-T411 PolarHBondContact O-N 3.5Å; T411-L413 VanDerWaalsContact C-N 3.32Å; T411-L413 PolarHBondContact O-N 2.86Å; T411-G414 PolarHBondContact O-N 2.96Å; T411-G414 VanDerWaalsContact O-N 3.1Å; T411-D416 VanDerWaalsContact CA-O 3.24Å; T411-D416 WeakPolarHBondContact CA-O 3.47Å; T411-F417 PolarHBondContact OG1-O 2.92Å; T411-F418 HydrophobicContact CG2-CB 4.18Å; T411-F418 VanDerWaalsContact OG1-CA 3.23Å; T411-F418 WeakPolarHBondContact OG1-CA 3.43Å; T411-F418 VanDerWaalsContact OG1-CB 3.29Å; T411-F418 WeakPolarHBondContact OG1-CB 3.23Å; T411-F418 PolarHBondContact OG1-N 2.81Å; T411-L523 WeakPolarHBondContact CG2-O 3.38Å; T411-I526 HydrophobicContact CG2-CD1 3.71Å; T411-I526 HydrophobicContact CG2-CG1 4.18Å
412	Y	89.3	Confident	87.6	Confident	15 Å²	15	42.3 Å²	42.3	6%	0.059	22%	0.217	C	C	.	.	H	α-helix	trans	-67	-36.7	179.4	-163.4	-106.3	0	0	0	112.3	N391 P392 A394 V396 L408 E409 G414 F431 I526 I528	N391-Y412 HydrophobicContact CB-CE1 3.94Å; N391-Y412 HydrophobicContact CB-CE2 3.97Å; N391-Y412 PolarHBondContact ND2-O 2.96Å; P392-Y412 VanDerWaalsContact O-CE1 3.22Å; P392-Y412 WeakPolarHBondContact O-CE1 3.33Å; P392-Y412 PolarHBondContact O-OH 2.8Å; A394-Y412 HydrophobicContact CB-CE1 3.73Å; A394-Y412 WeakPolarHBondContact CB-OH 3.25Å; V396-Y412 HydrophobicContact CG1-CD1 3.76Å; V396-Y412 HydrophobicContact CG1-CD2 3.85Å; V396-Y412 HydrophobicContact CG1-CE1 4.21Å; V396-Y412 HydrophobicContact CG1-CE2 4.3Å; V396-Y412 HydrophobicContact CG1-CG 3.54Å; L408-Y412 PolarHBondContact O-N 3.48Å; E409-Y412 PolarHBondContact O-N 3.06Å; Y412-G414 PolarHBondContact O-N 2.99Å; Y412-F431 AromaticContact CD2-CD1 3.45Å; Y412-F431 HydrophobicContact CD2-CD1 3.45Å; Y412-F431 VanDerWaalsContact CD2-CD1 3.45Å; Y412-F431 AromaticContact CD2-CE1 3.5Å; Y412-F431 HydrophobicContact CD2-CE1 3.5Å; Y412-F431 AromaticContact CE2-CD1 3.32Å; Y412-F431 HydrophobicContact CE2-CD1 3.32Å; Y412-F431 AromaticContact CE2-CE1 3.78Å; Y412-F431 HydrophobicContact CE2-CE1 3.78Å; Y412-F431 HydrophobicContact CE2-CG 4.14Å; Y412-F431 HydrophobicContact CG-CD1 4.43Å; Y412-I526 HydrophobicContact CD2-CD1 4.18Å; Y412-I526 HydrophobicContact CD2-CG2 3.92Å; Y412-I526 HydrophobicContact CE2-CG2 4Å; Y412-I528 HydrophobicContact CE2-CD1 4.1Å
413	L	78.9	Confident	87.6	Confident	101 Å²	101	40 Å²	40	53%	0.529	20%	0.204	S	C	.	.	H	α-helix	trans	-73.3	-14.6	173	-65.9	175.2	0	0	0	113.1	Q279 E409 K410 T411 E415	Q279-L413 PolarHBondContact NE2-O 3.05Å; E409-L413 WeakPolarHBondContact O-CG 3.5Å; E409-L413 PolarHBondContact O-N 2.71Å; K410-L413 PolarHBondContact O-N 3.06Å; T411-L413 VanDerWaalsContact C-N 3.32Å; T411-L413 PolarHBondContact O-N 2.86Å; L413-E415 HydrophobicContact CB-CG 4.08Å; L413-E415 WeakPolarHBondContact CD1-OE1 3.34Å
414	G	75.4	Confident	88	Confident	3 Å²	3	40.1 Å²	40.1	3%	0.031	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	25.8	-178.5	0	0	0	0	0	114	Q279 H386 K410 T411 Y412	Q279-G414 PolarHBondContact NE2-O 2.91Å; H386-G414 PolarHBondContact NE2-O 2.97Å; K410-G414 PolarHBondContact O-N 3.5Å; T411-G414 PolarHBondContact O-N 2.96Å; T411-G414 VanDerWaalsContact O-N 3.1Å; Y412-G414 PolarHBondContact O-N 2.99Å
415	E	70.8	Confident	88.7	Confident	61 Å²	61	36.9 Å²	36.9	29%	0.285	20%	0.204	S	C	.	.	S	Bend	trans	-87.3	-29.9	176.7	-63.4	175	-167	0	0	112.5	K410 L413	K410-E415 HydrophobicContact CB-CB 4.1Å; K410-E415 PolarHBondContact O-N 2.92Å; L413-E415 HydrophobicContact CB-CG 4.08Å; L413-E415 WeakPolarHBondContact CD1-OE1 3.34Å
416	D	81.9	Confident	89.2	Confident	31 Å²	31	37.9 Å²	37.9	17%	0.166	22%	0.215	C	C	.	.	S	Bend	trans	-154.3	-179.4	-174.1	-156	-5.2	0	0	0	111.6	H406 K410 T411	H406-D416 IonicContact CE1-OD1 2.9Å; H406-D416 IonicContact CE1-OD2 3.57Å; H406-D416 PolarHBondContact CE1-OD2 2.81Å; H406-D416 IonicContact CG-OD2 3.74Å; H406-D416 VanDerWaalsContact ND1-CG 3.27Å; H406-D416 IonicContact ND1-OD1 3.69Å; H406-D416 PolarHBondContact ND1-OD1 3.1Å; H406-D416 IonicContact ND1-OD2 2.78Å; H406-D416 PolarHBondContact ND1-OD2 3.22Å; K410-D416 HydrophobicContact CB-CB 3.89Å; K410-D416 HydrophobicContact CD-CB 4.35Å; K410-D416 PolarHBondContact O-N 3.23Å; T411-D416 VanDerWaalsContact CA-O 3.24Å; T411-D416 WeakPolarHBondContact CA-O 3.47Å
417	F	90.6	Very high	89.6	Confident	8 Å²	8	37.4 Å²	37.4	4%	0.035	21%	0.213	C	C	.	.			trans	-93.4	162.5	161.9	60.8	-81.3	0	0	0	110.9	L385 H386 H406 T411 W419 I522	L385-F417 HydrophobicContact CB-CD1 4.02Å; L385-F417 HydrophobicContact CB-CE1 4.1Å; L385-F417 HydrophobicContact CD1-CE1 3.94Å; H386-F417 HydrophobicContact CB-CB 4.06Å; H406-F417 WeakPolarHBondContact CB-O 3.41Å; H406-F417 AromaticContact CE1-CE1 3.65Å; H406-F417 AromaticContact CE1-CZ 3.51Å; H406-F417 AromaticContact ND1-CE1 3.79Å; H406-F417 AromaticContact ND1-CZ 3.7Å; H406-F417 AromaticContact NE2-CZ 3.81Å; T411-F417 PolarHBondContact OG1-O 2.92Å; F417-W419 HydrophobicContact CD2-CB 4.07Å; F417-W419 HydrophobicContact CE2-CB 3.77Å; F417-W419 HydrophobicContact CE2-CD2 4.04Å; F417-W419 AromaticContact CE2-CE3 3.89Å; F417-W419 HydrophobicContact CE2-CE3 3.89Å; F417-W419 HydrophobicContact CE2-CG 4.03Å; F417-W419 HydrophobicContact CZ-CE3 4.18Å; F417-I522 HydrophobicContact CB-CG2 4.34Å; F417-I522 HydrophobicContact CD2-CD1 4.36Å; F417-I522 HydrophobicContact CD2-CG1 4.2Å; F417-I522 HydrophobicContact CD2-CG2 3.75Å; F417-I522 HydrophobicContact CE2-CD1 4.06Å; F417-I522 HydrophobicContact CE2-CG1 4.24Å; F417-I522 HydrophobicContact CE2-CG2 4.47Å; F417-I522 HydrophobicContact CG-CG2 4.35Å
418	F	95.9	Very high	89.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	131.5	173	173.9	-114.9	0	0	0	107.1	T398 M400 V402 H406 L408 T411 A420 I429 I522 L523	T398-F418 HydrophobicContact CG2-CE2 3.91Å; T398-F418 HydrophobicContact CG2-CZ 3.87Å; M400-F418 HydrophobicContact CB-CZ 4.19Å; M400-F418 HydrophobicContact SD-CE1 4.03Å; M400-F418 HydrophobicContact SD-CZ 4.47Å; V402-F418 HydrophobicContact CG2-CE2 4Å; H406-F418 WeakPolarHBondContact O-CA 3.36Å; H406-F418 WeakPolarHBondContact O-CD2 3.43Å; L408-F418 HydrophobicContact CB-CD2 3.8Å; L408-F418 HydrophobicContact CB-CE2 3.95Å; L408-F418 HydrophobicContact CD1-CD2 4.5Å; L408-F418 HydrophobicContact CD1-CG 4.43Å; T411-F418 HydrophobicContact CG2-CB 4.18Å; T411-F418 VanDerWaalsContact OG1-CA 3.23Å; T411-F418 WeakPolarHBondContact OG1-CA 3.43Å; T411-F418 VanDerWaalsContact OG1-CB 3.29Å; T411-F418 WeakPolarHBondContact OG1-CB 3.23Å; T411-F418 PolarHBondContact OG1-N 2.81Å; F418-A420 HydrophobicContact CE1-CB 3.64Å; F418-A420 HydrophobicContact CE2-CB 4.4Å; F418-A420 HydrophobicContact CZ-CB 3.58Å; F418-I429 HydrophobicContact CD1-CD1 4.1Å; F418-I429 HydrophobicContact CE1-CD1 3.85Å; F418-I429 HydrophobicContact CE1-CG1 4.47Å; F418-I522 CarbonylContact O-C 3.6Å; F418-I522 WeakPolarHBondContact O-CA 3.49Å; F418-L523 HydrophobicContact CB-CB 4Å; F418-L523 HydrophobicContact CD1-CB 4.2Å; F418-L523 PolarHBondContact N-O 2.92Å; F418-L523 PolarHBondContact O-N 3.4Å
419	W	96.3	Very high	90.2	Very high	18 Å²	18	39.8 Å²	39.8	7%	0.068	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	119	174.1	-159.4	4.8	0	0	0	109.2	Y403 H406 F417 H451 D454 W520 A521 I522	Y403-W419 AromaticContact CD1-CD2 3.63Å; Y403-W419 HydrophobicContact CD1-CD2 3.63Å; Y403-W419 AromaticContact CD1-CE2 3.96Å; Y403-W419 AromaticContact CD1-CE3 3.49Å; Y403-W419 HydrophobicContact CD1-CE3 3.49Å; Y403-W419 VanDerWaalsContact CD1-CE3 3.49Å; Y403-W419 HydrophobicContact CD1-CG 4.28Å; Y403-W419 AromaticContact CD1-CH2 3.99Å; Y403-W419 HydrophobicContact CD1-CH2 3.99Å; Y403-W419 HydrophobicContact CD1-CZ2 4.14Å; Y403-W419 AromaticContact CD1-CZ3 3.66Å; Y403-W419 HydrophobicContact CD1-CZ3 3.66Å; Y403-W419 HydrophobicContact CE1-CD2 4.31Å; Y403-W419 AromaticContact CE1-CE3 3.93Å; Y403-W419 HydrophobicContact CE1-CE3 3.93Å; Y403-W419 AromaticContact CE1-CH2 3.66Å; Y403-W419 HydrophobicContact CE1-CH2 3.66Å; Y403-W419 HydrophobicContact CE1-CZ2 4.08Å; Y403-W419 AromaticContact CE1-CZ3 3.57Å; Y403-W419 HydrophobicContact CE1-CZ3 3.57Å; Y403-W419 PolarHBondContact N-O 3.46Å; H406-W419 HydrophobicContact CB-CB 3.6Å; H406-W419 AromaticContact CD2-CE3 3.62Å; H406-W419 AromaticContact NE2-CE3 3.97Å; H406-W419 PolarHBondContact O-N 2.9Å; F417-W419 HydrophobicContact CD2-CB 4.07Å; F417-W419 HydrophobicContact CE2-CB 3.77Å; F417-W419 HydrophobicContact CE2-CD2 4.04Å; F417-W419 AromaticContact CE2-CE3 3.89Å; F417-W419 HydrophobicContact CE2-CE3 3.89Å; F417-W419 HydrophobicContact CE2-CG 4.03Å; F417-W419 HydrophobicContact CZ-CE3 4.18Å; W419-H451 AromaticContact CH2-CD2 3.91Å; W419-H451 AromaticContact CH2-CE1 3.86Å; W419-H451 AromaticContact CH2-NE2 3.53Å; W419-D454 PolarHBondContact NE1-OD2 2.88Å; W419-W520 AromaticContact CE2-CE3 3.78Å; W419-W520 AromaticContact CZ2-CE3 3.79Å; W419-W520 HydrophobicContact CZ2-CE3 3.79Å; W419-W520 AromaticContact CZ2-CZ3 3.92Å; W419-W520 HydrophobicContact CZ2-CZ3 3.92Å; W419-W520 AromaticContact NE1-CE3 3.6Å; W419-A521 WeakPolarHBondContact CA-O 3.44Å; W419-I522 HydrophobicContact CB-CG1 4.32Å; W419-I522 HydrophobicContact CD2-CD1 4.34Å; W419-I522 HydrophobicContact CD2-CG1 4.35Å; W419-I522 HydrophobicContact CG-CD1 4.26Å; W419-I522 HydrophobicContact CG-CG1 3.76Å
420	A	95.1	Very high	90.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	152.4	177.6	0	0	0	0	0	111	M400 K401 F418 W520 A521	M400-A420 HydrophobicContact CB-CB 3.76Å; M400-A420 HydrophobicContact SD-CB 4.38Å; K401-A420 VanDerWaalsContact O-CA 3.32Å; K401-A420 WeakPolarHBondContact O-CA 3.35Å; K401-A420 WeakPolarHBondContact O-CB 3.41Å; F418-A420 HydrophobicContact CE1-CB 3.64Å; F418-A420 HydrophobicContact CE2-CB 4.4Å; F418-A420 HydrophobicContact CZ-CB 3.58Å; A420-W520 WeakPolarHBondContact O-CB 3.42Å; A420-A521 PolarHBondContact N-O 3.09Å; A420-A521 PolarHBondContact O-N 2.89Å
421	I	92.4	Very high	91.3	Very high	60 Å²	60	33.4 Å²	33.4	31%	0.308	19%	0.191	S	C	.	.	S	Bend	trans	-63.6	168.1	168.4	65.7	164	0	0	0	110.3	K401 P423	K401-I421 HydrophobicContact CB-CD1 3.83Å; K401-I421 HydrophobicContact CB-CG1 3.79Å; K401-I421 HydrophobicContact CD-CD1 3.72Å; K401-I421 HydrophobicContact CD-CG1 4.42Å; K401-I421 HydrophobicContact CG-CD1 4.19Å; K401-I421 HydrophobicContact CG-CG1 4.37Å; K401-I421 PolarHBondContact O-N 2.78Å; I421-P423 VanDerWaalsContact O-CD 3.28Å; I421-P423 WeakPolarHBondContact O-CD 3.28Å; I421-P423 VanDerWaalsContact O-N 3.11Å
422	T	92.8	Very high	91.6	Very high	54 Å²	54	37.9 Å²	37.9	33%	0.331	21%	0.21	S	C	.	.			trans	-39.9	112	-175.3	-47	0	0	0	0	113.8	S517 W520	T422-S517 WeakPolarHBondContact CG2-O 3.29Å; T422-W520 VanDerWaalsContact OG1-CD1 3.23Å
423	P	94.4	Very high	91.8	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.032	21%	0.209	C	C	.	.			trans	-65.4	145.5	175.5	-21.5	31.2	0	0	0	112.8	M400 I421 V513 S517 V519 A521	M400-P423 HydrophobicContact CE-CB 4.09Å; M400-P423 HydrophobicContact CE-CG 4.3Å; M400-P423 HydrophobicContact SD-CB 4.2Å; M400-P423 HydrophobicContact SD-CG 3.97Å; I421-P423 VanDerWaalsContact O-CD 3.28Å; I421-P423 WeakPolarHBondContact O-CD 3.28Å; I421-P423 VanDerWaalsContact O-N 3.11Å; P423-V513 HydrophobicContact CB-CG1 4.28Å; P423-V513 HydrophobicContact CB-CG2 4.09Å; P423-S517 WeakPolarHBondContact O-CB 3.23Å; P423-S517 PolarHBondContact O-N 2.76Å; P423-V519 WeakPolarHBondContact CD-O 3.35Å; P423-A521 HydrophobicContact CG-CB 3.42Å; P423-A521 VanDerWaalsContact CG-CB 3.42Å
424	T	96.1	Very high	92.2	Very high	73 Å²	73	38.2 Å²	38.2	45%	0.448	21%	0.213	S	C	.	.			trans	-112.7	157.7	176.7	58.2	0	0	0	0	111.1	G426 D427 V513	T424-G426 PolarHBondContact O-N 3.4Å; T424-D427 PolarHBondContact N-OD2 3.09Å; T424-D427 VanDerWaalsContact O-CB 3.26Å; T424-D427 WeakPolarHBondContact O-CB 3.36Å; T424-D427 PolarHBondContact O-N 2.95Å; T424-D427 PolarHBondContact OG1-OD2 3.03Å; T424-V513 WeakPolarHBondContact O-CG1 3.38Å
425	S	96.3	Very high	92.8	Very high	69 Å²	69	41.6 Å²	41.6	48%	0.483	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	128.7	176.4	-173.2	0	0	0	0	111	L514 D516	S425-L514 PolarHBondContact OG-O 2.73Å; S425-D516 WeakPolarHBondContact CB-OD1 3.28Å; S425-D516 PolarHBondContact N-OD1 3.07Å
426	G	93.4	Very high	93.9	Very high	54 Å²	54	41.9 Å²	41.9	56%	0.557	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.7	-10.2	-174.8	0	0	0	0	0	114.4	T424 V513	T424-G426 PolarHBondContact O-N 3.4Å; G426-V513 PolarHBondContact N-O 2.78Å
427	D	97.2	Very high	94.3	Very high	22 Å²	22	41.1 Å²	41.1	12%	0.118	23%	0.228	C	C	.	.			trans	-62.8	150.4	172.2	-82.5	-40	0	0	0	111.9	S399 M400 T424 V513	S399-D427 WeakPolarHBondContact CB-OD1 3.31Å; S399-D427 WeakPolarHBondContact OG-CA 3.24Å; S399-D427 WeakPolarHBondContact OG-CB 3.21Å; S399-D427 PolarHBondContact OG-OD1 3.34Å; M400-D427 HydrophobicContact CE-CB 3.91Å; M400-D427 HydrophobicContact CG-CB 3.84Å; T424-D427 PolarHBondContact N-OD2 3.09Å; T424-D427 VanDerWaalsContact O-CB 3.26Å; T424-D427 WeakPolarHBondContact O-CB 3.36Å; T424-D427 PolarHBondContact O-N 2.95Å; T424-D427 PolarHBondContact OG1-OD2 3.03Å; D427-V513 HydrophobicContact CB-CB 4.23Å; D427-V513 HydrophobicContact CB-CG2 4.03Å; D427-V513 WeakPolarHBondContact O-CB 3.42Å; D427-V513 WeakPolarHBondContact O-CG2 3.35Å; D427-V513 PolarHBondContact O-N 3.37Å
428	Y	96.9	Very high	94.4	Very high	85 Å²	85	43.3 Å²	43.3	33%	0.333	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	157.1	-177.5	72.1	-92.9	0	0	0	113.8	T398 S399 L430 L511	T398-Y428 VanDerWaalsContact CA-O 3.23Å; T398-Y428 WeakPolarHBondContact CA-O 3.42Å; T398-Y428 WeakPolarHBondContact CB-O 3.3Å; T398-Y428 PolarHBondContact OG1-O 2.84Å; S399-Y428 PolarHBondContact N-O 3.45Å; S399-Y428 VanDerWaalsContact N-O 3.16Å; S399-Y428 PolarHBondContact OG-N 3.09Å; Y428-L430 HydrophobicContact CD2-CB 3.73Å; Y428-L430 HydrophobicContact CE2-CB 3.8Å; Y428-L511 CarbonylContact C-O 3.52Å; Y428-L511 WeakPolarHBondContact CA-O 3.4Å
429	I	97.8	Very high	94.4	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	121.6	162.3	-66.7	172.1	0	0	0	106.6	S397 M400 L408 F418 F431 I456 R510 L511 L523	S397-I429 CarbonylContact O-C 3.53Å; M400-I429 HydrophobicContact CE-CD1 4.38Å; M400-I429 HydrophobicContact CE-CG1 4.22Å; M400-I429 HydrophobicContact SD-CD1 4.42Å; M400-I429 HydrophobicContact SD-CG1 4.44Å; L408-I429 HydrophobicContact CD1-CG2 3.73Å; L408-I429 HydrophobicContact CD2-CG2 3.68Å; L408-I429 HydrophobicContact CG-CG2 4.36Å; F418-I429 HydrophobicContact CD1-CD1 4.1Å; F418-I429 HydrophobicContact CE1-CD1 3.85Å; F418-I429 HydrophobicContact CE1-CG1 4.47Å; I429-F431 HydrophobicContact CG2-CE1 4Å; I429-F431 HydrophobicContact CG2-CE2 3.71Å; I429-F431 HydrophobicContact CG2-CZ 3.4Å; I429-F431 VanDerWaalsContact CG2-CZ 3.4Å; I429-I456 HydrophobicContact CD1-CD1 4.38Å; I429-R510 CarbonylContact O-C 3.58Å; I429-R510 VanDerWaalsContact O-CA 3.28Å; I429-R510 WeakPolarHBondContact O-CA 3.29Å; I429-L511 HydrophobicContact CB-CB 4.13Å; I429-L511 HydrophobicContact CB-CD1 4.29Å; I429-L511 HydrophobicContact CB-CG 4.3Å; I429-L511 HydrophobicContact CD1-CD1 4.27Å; I429-L511 HydrophobicContact CG2-CD1 4.4Å; I429-L511 PolarHBondContact N-O 2.8Å; I429-L511 PolarHBondContact O-N 2.79Å; I429-L523 HydrophobicContact CD1-CD2 4.14Å
430	L	97.7	Very high	94.2	Very high	34 Å²	34	45.5 Å²	45.5	18%	0.178	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.6	-175.2	178.2	67.3	0	0	0	110.3	V396 S397 Y428 F484 A508 R510	V396-L430 CarbonylContact C-O 3.58Å; V396-L430 VanDerWaalsContact CA-O 3.31Å; V396-L430 WeakPolarHBondContact CA-O 3.49Å; S397-L430 PolarHBondContact N-O 3.49Å; S397-L430 PolarHBondContact O-N 3.43Å; Y428-L430 HydrophobicContact CD2-CB 3.73Å; Y428-L430 HydrophobicContact CE2-CB 3.8Å; L430-F484 HydrophobicContact CD1-CE1 4.34Å; L430-F484 HydrophobicContact CD1-CZ 4.1Å; L430-A508 HydrophobicContact CD1-CB 4.05Å; L430-R510 HydrophobicContact CD1-CB 3.99Å
431	F	97.6	Very high	94.2	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	101.9	170.9	-48.7	-80.3	0	0	0	108	V396 L408 Y412 I429 F444 A508 L509 L511 I526 I528	V396-F431 HydrophobicContact CB-CD1 4.43Å; V396-F431 HydrophobicContact CG1-CD1 3.65Å; V396-F431 HydrophobicContact CG1-CE1 4.24Å; L408-F431 HydrophobicContact CD1-CE1 4.25Å; Y412-F431 AromaticContact CD2-CD1 3.45Å; Y412-F431 HydrophobicContact CD2-CD1 3.45Å; Y412-F431 VanDerWaalsContact CD2-CD1 3.45Å; Y412-F431 AromaticContact CD2-CE1 3.5Å; Y412-F431 HydrophobicContact CD2-CE1 3.5Å; Y412-F431 AromaticContact CE2-CD1 3.32Å; Y412-F431 HydrophobicContact CE2-CD1 3.32Å; Y412-F431 AromaticContact CE2-CE1 3.78Å; Y412-F431 HydrophobicContact CE2-CE1 3.78Å; Y412-F431 HydrophobicContact CE2-CG 4.14Å; Y412-F431 HydrophobicContact CG-CD1 4.43Å; I429-F431 HydrophobicContact CG2-CE1 4Å; I429-F431 HydrophobicContact CG2-CE2 3.71Å; I429-F431 HydrophobicContact CG2-CZ 3.4Å; I429-F431 VanDerWaalsContact CG2-CZ 3.4Å; F431-F444 HydrophobicContact CD2-CE1 4.44Å; F431-F444 AromaticContact CE2-CE1 3.6Å; F431-F444 HydrophobicContact CE2-CE1 3.6Å; F431-F444 HydrophobicContact CE2-CZ 4.01Å; F431-F444 AromaticContact CZ-CE1 3.86Å; F431-F444 HydrophobicContact CZ-CE1 3.86Å; F431-A508 CarbonylContact O-C 3.52Å; F431-A508 VanDerWaalsContact O-CA 3.22Å; F431-A508 WeakPolarHBondContact O-CA 3.44Å; F431-A508 WeakPolarHBondContact O-CB 3.5Å; F431-L509 HydrophobicContact CB-CB 4.47Å; F431-L509 HydrophobicContact CD2-CB 4.37Å; F431-L509 HydrophobicContact CD2-CD2 3.67Å; F431-L509 WeakPolarHBondContact CD2-O 3.27Å; F431-L509 HydrophobicContact CE2-CD2 4.02Å; F431-L509 PolarHBondContact N-O 2.78Å; F431-L509 PolarHBondContact O-N 2.82Å; F431-L511 HydrophobicContact CE2-CD1 4.32Å; F431-L511 HydrophobicContact CE2-CG 4.12Å; F431-I526 HydrophobicContact CE1-CD1 3.86Å; F431-I526 HydrophobicContact CE1-CG2 4.36Å; F431-I526 HydrophobicContact CZ-CD1 3.97Å; F431-I526 HydrophobicContact CZ-CG2 4.39Å; F431-I528 HydrophobicContact CG-CD1 4.41Å
432	K	96.8	Very high	94.4	Very high	101 Å²	101	48.4 Å²	48.4	44%	0.439	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	108.3	-179.9	177.8	-178.5	158.7	-144.8	0	108.7	A394 E395	A394-K432 CarbonylContact C-O 3.53Å; A394-K432 VanDerWaalsContact CA-O 3.23Å; A394-K432 WeakPolarHBondContact CA-O 3.43Å; A394-K432 WeakPolarHBondContact CB-O 3.02Å; E395-K432 HydrophobicContact CB-CB 4.47Å; E395-K432 PolarHBondContact N-O 3.33Å; E395-K432 PolarHBondContact O-N 2.9Å; E395-K432 IonicContact OE2-NZ 3.29Å; E395-K432 PolarHBondContact OE2-NZ 3.08Å
433	F	94.3	Very high	94.6	Very high	10 Å²	10	47 Å²	47	4%	0.044	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	139.7	-174.7	-57.5	-67.2	0	0	0	111	P392 A394 R435 V437 I439 V506 I507 L509 I528	P392-F433 HydrophobicContact CB-CD1 3.92Å; P392-F433 HydrophobicContact CB-CE1 3.96Å; P392-F433 HydrophobicContact CG-CD1 4.45Å; P392-F433 HydrophobicContact CG-CE1 4.01Å; A394-F433 HydrophobicContact CB-CD1 3.82Å; A394-F433 HydrophobicContact CB-CE1 4.29Å; F433-R435 VanDerWaalsContact CB-O 3.29Å; F433-R435 WeakPolarHBondContact CB-O 3.34Å; F433-R435 PolarHBondContact O-N 2.72Å; F433-R435 VanDerWaalsContact O-N 3.1Å; F433-V437 HydrophobicContact CB-CG2 3.8Å; F433-V437 HydrophobicContact CD1-CG2 3.88Å; F433-V437 HydrophobicContact CD2-CB 4.38Å; F433-V437 HydrophobicContact CD2-CG2 4.19Å; F433-V437 HydrophobicContact CG-CB 4.34Å; F433-V437 HydrophobicContact CG-CG2 3.69Å; F433-I439 HydrophobicContact CE2-CD1 3.78Å; F433-I439 HydrophobicContact CZ-CD1 3.84Å; F433-V506 HydrophobicContact CD2-CG1 4.27Å; F433-V506 HydrophobicContact CE2-CG1 3.88Å; F433-I507 VanDerWaalsContact CD2-O 3.31Å; F433-I507 WeakPolarHBondContact CD2-O 3.45Å; F433-I507 PolarHBondContact N-O 3.45Å; F433-L509 HydrophobicContact CE2-CB 4.28Å; F433-L509 HydrophobicContact CZ-CB 4.35Å; F433-I528 HydrophobicContact CE1-CD1 4.16Å; F433-I528 HydrophobicContact CE1-CG2 4.42Å; F433-I528 HydrophobicContact CZ-CD1 3.95Å; F433-I528 HydrophobicContact CZ-CG2 4.11Å
434	D	86.3	Confident	94.8	Very high	113 Å²	113	46.8 Å²	46.8	60%	0.604	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.8	-29.3	179	-62.9	-10.8	0	0	0	111.6	P393	P393-D434 VanDerWaalsContact CB-OD2 3.23Å; P393-D434 WeakPolarHBondContact CB-OD2 3.47Å; P393-D434 PolarHBondContact O-N 3.24Å
435	R	88.9	Confident	94.8	Very high	74 Å²	74	47.9 Å²	47.9	28%	0.279	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	152.7	175.2	-62.2	-175.5	172.7	125.1	-15.8	109.6	K31 F433 V437	K31-R435 VanDerWaalsContact CD-NH1 3.29Å; K31-R435 VanDerWaalsContact CE-CZ 3.42Å; K31-R435 VanDerWaalsContact CG-NH1 3.27Å; F433-R435 VanDerWaalsContact CB-O 3.29Å; F433-R435 WeakPolarHBondContact CB-O 3.34Å; F433-R435 PolarHBondContact O-N 2.72Å; F433-R435 VanDerWaalsContact O-N 3.1Å; R435-V437 VanDerWaalsContact O-CG2 3.26Å; R435-V437 WeakPolarHBondContact O-CG2 3.49Å; R435-V437 PolarHBondContact O-N 3.32Å
436	P	92.5	Very high	94.7	Very high	67 Å²	67	44.9 Å²	44.9	44%	0.435	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	131.8	178.6	-26.4	34.6	0	0	0	112.7	P505 V506 I507	P436-P505 HydrophobicContact CB-CB 3.79Å; P436-P505 HydrophobicContact CB-CG 4.08Å; P436-V506 CarbonylContact C-O 3.51Å; P436-V506 VanDerWaalsContact CA-O 3.28Å; P436-V506 WeakPolarHBondContact CA-O 3.34Å; P436-I507 HydrophobicContact CG-CG1 4.4Å
437	V	91.4	Very high	94.6	Very high	16 Å²	16	42.6 Å²	42.6	10%	0.097	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.4	-173.9	-178.3	0	0	0	0	110.6	P392 F433 R435 I439 V506 R530	P392-V437 HydrophobicContact CB-CG1 4.22Å; P392-V437 HydrophobicContact CB-CG2 3.97Å; P392-V437 HydrophobicContact CG-CG1 4.05Å; F433-V437 HydrophobicContact CB-CG2 3.8Å; F433-V437 HydrophobicContact CD1-CG2 3.88Å; F433-V437 HydrophobicContact CD2-CB 4.38Å; F433-V437 HydrophobicContact CD2-CG2 4.19Å; F433-V437 HydrophobicContact CG-CB 4.34Å; F433-V437 HydrophobicContact CG-CG2 3.69Å; R435-V437 VanDerWaalsContact O-CG2 3.26Å; R435-V437 WeakPolarHBondContact O-CG2 3.49Å; R435-V437 PolarHBondContact O-N 3.32Å; V437-I439 HydrophobicContact CB-CG1 4.34Å; V437-I439 HydrophobicContact CG1-CG1 3.98Å; V437-I439 PolarHBondContact O-N 2.77Å; V437-V506 PolarHBondContact N-O 2.86Å; V437-V506 WeakPolarHBondContact O-CB 3.13Å; V437-V506 PolarHBondContact O-N 2.85Å; V437-R530 HydrophobicContact CG1-CG 3.61Å
438	S	92.9	Very high	94.1	Very high	53 Å²	53	42.4 Å²	42.4	37%	0.371	20%	0.202	S	C	.	.			trans	-80.6	109	167.1	-62.1	0	0	0	0	109.8	N504 R530 I531	S438-N504 VanDerWaalsContact CA-OD1 3.31Å; S438-N504 WeakPolarHBondContact CA-OD1 3.43Å; S438-R530 CarbonylContact O-C 3.6Å; S438-R530 WeakPolarHBondContact O-CA 3.16Å; S438-I531 PolarHBondContact O-N 3.03Å
439	I	94.3	Very high	93.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.7	-176.7	-55.8	174.1	0	0	0	108.8	F433 V437 V499 N504 V506 L509 I528	F433-I439 HydrophobicContact CE2-CD1 3.78Å; F433-I439 HydrophobicContact CZ-CD1 3.84Å; V437-I439 HydrophobicContact CB-CG1 4.34Å; V437-I439 HydrophobicContact CG1-CG1 3.98Å; V437-I439 PolarHBondContact O-N 2.77Å; I439-V499 HydrophobicContact CB-CB 4.34Å; I439-V499 HydrophobicContact CB-CG2 4.04Å; I439-V499 HydrophobicContact CG2-CB 4.3Å; I439-V499 HydrophobicContact CG2-CG2 3.59Å; I439-N504 PolarHBondContact N-OD1 2.98Å; I439-N504 PolarHBondContact O-ND2 3.11Å; I439-V506 HydrophobicContact CD1-CB 3.87Å; I439-V506 HydrophobicContact CD1-CG1 3.94Å; I439-V506 HydrophobicContact CD1-CG2 4.07Å; I439-V506 HydrophobicContact CG1-CB 4.39Å; I439-V506 HydrophobicContact CG1-CG2 4.43Å; I439-L509 HydrophobicContact CD1-CD1 4.48Å; I439-I528 HydrophobicContact CD1-CG2 3.79Å; I439-I528 HydrophobicContact CG1-CG2 3.98Å; I439-I528 HydrophobicContact CG2-CG2 3.89Å
440	E	93.5	Very high	92.7	Very high	64 Å²	64	49.9 Å²	49.9	30%	0.299	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-49.1	173.7	-173.2	-162.6	141	0	0	110.3	A498 V499 K529 I531	E440-A498 WeakPolarHBondContact O-CA 2.83Å; E440-V499 PolarHBondContact O-N 2.79Å; E440-K529 PolarHBondContact N-O 3.42Å; E440-K529 IonicContact OE1-NZ 3.59Å; E440-K529 PolarHBondContact OE1-NZ 2.85Å; E440-K529 WeakPolarHBondContact OE2-CD 3.14Å; E440-K529 WeakPolarHBondContact OE2-CE 3.41Å; E440-K529 IonicContact OE2-NZ 2.77Å; E440-K529 PolarHBondContact OE2-NZ 2.88Å; E440-I531 HydrophobicContact CB-CG1 3.89Å
441	R	95.5	Very high	92.2	Very high	116 Å²	116	51.4 Å²	51.4	44%	0.438	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	156.1	-176.3	63	179.1	97.7	153.1	-0.9	111.2	G497 K529	R441-G497 CarbonylContact C-O 3.56Å; R441-G497 VanDerWaalsContact CA-O 3.26Å; R441-G497 WeakPolarHBondContact CA-O 3.39Å; R441-G497 WeakPolarHBondContact CB-O 3.29Å; R441-K529 HydrophobicContact CG-CB 3.59Å; R441-K529 HydrophobicContact CG-CD 4Å; R441-K529 HydrophobicContact CG-CG 4.43Å; R441-K529 PolarHBondContact O-N 3.01Å
442	F	96.6	Very high	91.6	Very high	5 Å²	5	55.4 Å²	55.4	2%	0.022	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	151.6	170.1	65.6	-89	0	0	0	110.2	F444 V461 I487 A495 E496 G497 V499 L509 H527	F442-F444 HydrophobicContact CB-CE2 3.84Å; F442-F444 HydrophobicContact CB-CZ 4.4Å; F442-F444 AromaticContact CD2-CD2 3.68Å; F442-F444 HydrophobicContact CD2-CD2 3.68Å; F442-F444 AromaticContact CD2-CE2 3.57Å; F442-F444 HydrophobicContact CD2-CE2 3.57Å; F442-F444 HydrophobicContact CE2-CD2 4.43Å; F442-F444 AromaticContact CG-CE2 3.99Å; F442-F444 HydrophobicContact CG-CE2 3.99Å; F442-V461 HydrophobicContact CD2-CG1 4.04Å; F442-V461 HydrophobicContact CD2-CG2 4.33Å; F442-V461 HydrophobicContact CE1-CG1 4.41Å; F442-V461 HydrophobicContact CE2-CB 4.07Å; F442-V461 HydrophobicContact CE2-CG1 3.87Å; F442-V461 HydrophobicContact CE2-CG2 3.75Å; F442-V461 HydrophobicContact CG-CG1 4.37Å; F442-V461 HydrophobicContact CZ-CB 4.25Å; F442-V461 HydrophobicContact CZ-CG1 4.06Å; F442-V461 HydrophobicContact CZ-CG2 4.36Å; F442-I487 HydrophobicContact CD1-CD1 3.91Å; F442-I487 HydrophobicContact CE1-CD1 3.46Å; F442-I487 VanDerWaalsContact CE1-CD1 3.46Å; F442-I487 HydrophobicContact CE1-CG1 4.21Å; F442-I487 HydrophobicContact CZ-CD1 4.2Å; F442-A495 HydrophobicContact CE2-CB 4.42Å; F442-E496 VanDerWaalsContact O-CA 3.29Å; F442-E496 WeakPolarHBondContact O-CA 3.32Å; F442-G497 VanDerWaalsContact CD1-O 3.32Å; F442-G497 WeakPolarHBondContact CD1-O 3.42Å; F442-G497 WeakPolarHBondContact CE1-O 3.27Å; F442-G497 PolarHBondContact N-O 2.9Å; F442-G497 PolarHBondContact O-N 2.79Å; F442-G497 VanDerWaalsContact O-N 3.08Å; F442-V499 HydrophobicContact CD1-CG2 3.84Å; F442-V499 HydrophobicContact CE1-CG2 4.43Å; F442-L509 HydrophobicContact CB-CD1 4.35Å; F442-H527 CarbonylContact C-O 3.53Å; F442-H527 WeakPolarHBondContact CA-O 3.27Å
443	L	96.9	Very high	91.2	Very high	25 Å²	25	52.8 Å²	52.8	13%	0.131	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	126.2	169.1	161.9	68.7	0	0	0	108.6	V494 A495 E496 E525 H527	L443-V494 HydrophobicContact CD1-CG1 3.87Å; L443-A495 CarbonylContact C-O 3.6Å; L443-A495 WeakPolarHBondContact CA-O 3.26Å; L443-E496 HydrophobicContact CB-CB 4.24Å; L443-E496 HydrophobicContact CD1-CB 3.79Å; L443-E525 HydrophobicContact CD2-CG 4.42Å; L443-H527 HydrophobicContact CB-CB 4.15Å; L443-H527 PolarHBondContact N-O 2.91Å; L443-H527 PolarHBondContact O-N 2.76Å
444	F	97.4	Very high	91.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.6	172.2	-58.6	-76.5	0	0	0	108.7	F431 F442 V461 F490 V494 A495 L509 L511 L523 E525 I526 I528	F431-F444 HydrophobicContact CD2-CE1 4.44Å; F431-F444 AromaticContact CE2-CE1 3.6Å; F431-F444 HydrophobicContact CE2-CE1 3.6Å; F431-F444 HydrophobicContact CE2-CZ 4.01Å; F431-F444 AromaticContact CZ-CE1 3.86Å; F431-F444 HydrophobicContact CZ-CE1 3.86Å; F442-F444 HydrophobicContact CB-CE2 3.84Å; F442-F444 HydrophobicContact CB-CZ 4.4Å; F442-F444 AromaticContact CD2-CD2 3.68Å; F442-F444 HydrophobicContact CD2-CD2 3.68Å; F442-F444 AromaticContact CD2-CE2 3.57Å; F442-F444 HydrophobicContact CD2-CE2 3.57Å; F442-F444 HydrophobicContact CE2-CD2 4.43Å; F442-F444 AromaticContact CG-CE2 3.99Å; F442-F444 HydrophobicContact CG-CE2 3.99Å; F444-V461 HydrophobicContact CD2-CG2 4.19Å; F444-V461 HydrophobicContact CE2-CG1 4.05Å; F444-V461 HydrophobicContact CE2-CG2 4.44Å; F444-F490 HydrophobicContact CB-CE1 4.06Å; F444-F490 HydrophobicContact CB-CE2 4.39Å; F444-F490 HydrophobicContact CB-CZ 3.54Å; F444-F490 HydrophobicContact CG-CZ 4.39Å; F444-V494 WeakPolarHBondContact O-CA 3.47Å; F444-A495 HydrophobicContact CB-CB 4.42Å; F444-A495 HydrophobicContact CD2-CB 4.49Å; F444-A495 PolarHBondContact N-O 2.78Å; F444-A495 PolarHBondContact O-N 2.81Å; F444-L509 HydrophobicContact CE1-CD2 4.39Å; F444-L509 HydrophobicContact CE2-CD1 4.28Å; F444-L509 HydrophobicContact CE2-CD2 3.74Å; F444-L509 HydrophobicContact CZ-CD1 4.06Å; F444-L509 HydrophobicContact CZ-CD2 3.38Å; F444-L509 HydrophobicContact CZ-CG 4.39Å; F444-L511 HydrophobicContact CD1-CD1 4.13Å; F444-L511 HydrophobicContact CD1-CD2 4.49Å; F444-L511 HydrophobicContact CD2-CD2 3.88Å; F444-L511 HydrophobicContact CE1-CD1 4.49Å; F444-L511 HydrophobicContact CE1-CD2 4.45Å; F444-L511 HydrophobicContact CE2-CD2 3.87Å; F444-L511 HydrophobicContact CG-CD1 4.28Å; F444-L511 HydrophobicContact CG-CD2 4.22Å; F444-L511 HydrophobicContact CZ-CD2 4.18Å; F444-L523 HydrophobicContact CB-CD1 4.04Å; F444-L523 HydrophobicContact CD1-CD1 4.49Å; F444-E525 WeakPolarHBondContact CA-O 3.5Å; F444-I526 HydrophobicContact CD1-CB 4.49Å; F444-I526 HydrophobicContact CD1-CG1 4.26Å; F444-I526 HydrophobicContact CD1-CG2 4.16Å; F444-I526 HydrophobicContact CE1-CG2 3.74Å; F444-I528 HydrophobicContact CZ-CD1 4.33Å; F444-I528 HydrophobicContact CZ-CG1 4.25Å
445	R	95.5	Very high	91.4	Very high	97 Å²	97	51.2 Å²	51.2	37%	0.366	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135.4	176.1	-167.1	176.3	-59.8	-75.7	-7.6	110.4	V494 L523 S524 E525	R445-V494 HydrophobicContact CG-CG2 4.33Å; R445-L523 WeakPolarHBondContact O-CD1 2.91Å; R445-S524 PolarHBondContact O-N 3.1Å; R445-S524 PolarHBondContact O-OG 3.17Å; R445-E525 HydrophobicContact CB-CB 3.58Å; R445-E525 IonicContact CZ-OE2 2.86Å; R445-E525 PolarHBondContact N-O 3.07Å; R445-E525 IonicContact NE-OE2 2.62Å; R445-E525 PolarHBondContact NE-OE2 3.31Å; R445-E525 IonicContact NH2-OE2 3.11Å; R445-E525 PolarHBondContact O-N 2.95Å
446	S	94.8	Very high	91.6	Very high	6 Å²	6	47.9 Å²	47.9	4%	0.042	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	147.8	-176.4	-176.9	0	0	0	0	111.7	K455 I456 G493 I522	S446-K455 WeakPolarHBondContact OG-CA 3.44Å; S446-I456 PolarHBondContact OG-N 3.31Å; S446-G493 WeakPolarHBondContact CA-O 3.36Å; S446-G493 WeakPolarHBondContact CB-O 3.45Å; S446-G493 PolarHBondContact N-O 3.46Å; S446-I522 CarbonylContact C-O 3.51Å; S446-I522 WeakPolarHBondContact CA-O 3.38Å; S446-I522 WeakPolarHBondContact CB-O 3.45Å; S446-I522 PolarHBondContact OG-O 3.31Å
447	G	91.6	Very high	91.4	Very high	6 Å²	6	49.6 Å²	49.6	6%	0.062	25%	0.253	C	S	.	.			trans	80.6	164.3	-168.3	0	0	0	0	0	113	D454 I522 S524	G447-D454 WeakPolarHBondContact CA-O 3.47Å; G447-D454 PolarHBondContact N-O 3.27Å; G447-I522 PolarHBondContact N-O 2.8Å; G447-I522 VanDerWaalsContact N-O 3.1Å; G447-S524 VanDerWaalsContact O-CB 3.27Å; G447-S524 WeakPolarHBondContact O-CB 3.11Å; G447-S524 PolarHBondContact O-OG 2.82Å
448	N	87.5	Confident	91.5	Very high	17 Å²	17	52.7 Å²	52.7	9%	0.091	27%	0.268	C	S	.	.			trans	-142.7	-178.6	172.5	69.1	29.6	0	0	0	110.7	L385 E450 H451 P452 I522	L385-N448 HydrophobicContact CB-CB 4.21Å; L385-N448 HydrophobicContact CD2-CB 4.47Å; L385-N448 WeakPolarHBondContact O-CB 3.29Å; N448-E450 PolarHBondContact O-N 3.34Å; N448-E450 PolarHBondContact OD1-N 3.05Å; N448-E450 VanDerWaalsContact OD1-N 3.1Å; N448-H451 CarbonylContact O-C 3.23Å; N448-H451 VanDerWaalsContact O-C 3.28Å; N448-H451 PolarHBondContact OD1-N 2.84Å; N448-P452 VanDerWaalsContact O-CA 3.26Å; N448-P452 WeakPolarHBondContact O-CA 3.23Å; N448-P452 VanDerWaalsContact O-N 3.15Å; N448-I522 HydrophobicContact CB-CG2 4.43Å
449	Q	82.3	Confident	91.6	Very high	147 Å²	147	50.3 Å²	50.3	69%	0.687	25%	0.252	S	S	*	.	S	Bend	trans	-71.7	-27.2	-175	-63.8	-170.6	18.3	0	0	113.7	P383	P383-Q449 HydrophobicContact CB-CG 4.47Å; P383-Q449 HydrophobicContact CG-CB 3.99Å; P383-Q449 HydrophobicContact CG-CG 4.32Å
450	E	82.9	Confident	91.8	Very high	96 Å²	96	51 Å²	51	45%	0.449	26%	0.256	S	S	.	.	S	Bend	trans	-81.5	-33.2	177.9	-74	-178.6	179.4	0	0	111.7	L385 N448	L385-E450 HydrophobicContact CD1-CG 4.28Å; L385-E450 WeakPolarHBondContact CD1-OE2 3.15Å; L385-E450 HydrophobicContact CD2-CB 4.23Å; L385-E450 HydrophobicContact CD2-CG 3.74Å; N448-E450 PolarHBondContact O-N 3.34Å; N448-E450 PolarHBondContact OD1-N 3.05Å; N448-E450 VanDerWaalsContact OD1-N 3.1Å
451	H	86.8	Confident	91.9	Very high	66 Å²	66	47.9 Å²	47.9	31%	0.306	24%	0.241	S	C	.	.			trans	-129.9	70.1	-178.3	-60.1	-73.1	0	0	0	110.4	W419 N448 G453 D454 I522	W419-H451 AromaticContact CH2-CD2 3.91Å; W419-H451 AromaticContact CH2-CE1 3.86Å; W419-H451 AromaticContact CH2-NE2 3.53Å; N448-H451 CarbonylContact O-C 3.23Å; N448-H451 VanDerWaalsContact O-C 3.28Å; N448-H451 PolarHBondContact OD1-N 2.84Å; H451-G453 PolarHBondContact O-N 2.86Å; H451-D454 HydrophobicContact CB-CB 4.19Å; H451-D454 PolarHBondContact O-N 2.98Å; H451-I522 HydrophobicContact CB-CD1 3.61Å
452	P	85.3	Confident	92	Very high	85 Å²	85	42.4 Å²	42.4	55%	0.552	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-17	-176.3	27.9	-35.7	0	0	0	113.5	N448 K455	N448-P452 VanDerWaalsContact O-CA 3.26Å; N448-P452 WeakPolarHBondContact O-CA 3.23Å; N448-P452 VanDerWaalsContact O-N 3.15Å; P452-K455 WeakPolarHBondContact O-CE 3.45Å
453	G	87.4	Confident	92	Very high	46 Å²	46	42.2 Å²	42.2	47%	0.474	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-19.8	177.3	0	0	0	0	0	114.4	H451 K455	H451-G453 PolarHBondContact O-N 2.86Å; G453-K455 VanDerWaalsContact C-N 3.31Å; G453-K455 PolarHBondContact O-N 3.31Å
454	D	92.8	Very high	91.9	Very high	26 Å²	26	42.4 Å²	42.4	14%	0.139	22%	0.221	C	C	.	.			trans	-82.1	78.3	-175.8	-73.4	14.3	0	0	0	110	W419 G447 H451 W520 I522	W419-D454 PolarHBondContact NE1-OD2 2.88Å; G447-D454 WeakPolarHBondContact CA-O 3.47Å; G447-D454 PolarHBondContact N-O 3.27Å; H451-D454 HydrophobicContact CB-CB 4.19Å; H451-D454 PolarHBondContact O-N 2.98Å; D454-W520 CarbonylContact C-O 3.55Å; D454-W520 VanDerWaalsContact C-O 3.23Å; D454-W520 WeakPolarHBondContact CA-O 3.26Å; D454-W520 HydrophobicContact CB-CB 4.42Å; D454-I522 HydrophobicContact CB-CB 4.36Å; D454-I522 HydrophobicContact CB-CD1 3.71Å; D454-I522 HydrophobicContact CB-CG1 3.8Å; D454-I522 WeakPolarHBondContact O-CB 3.32Å; D454-I522 PolarHBondContact O-N 3.25Å; D454-I522 VanDerWaalsContact O-N 3.1Å
455	K	92.9	Very high	91.7	Very high	63 Å²	63	42.9 Å²	42.9	27%	0.274	22%	0.224	S	C	.	.			trans	-118.3	143.7	-173.3	-71.9	-179.2	172.6	-178	0	112.6	S446 P452 G453 E457 K492 W520	S446-K455 WeakPolarHBondContact OG-CA 3.44Å; P452-K455 WeakPolarHBondContact O-CE 3.45Å; G453-K455 VanDerWaalsContact C-N 3.31Å; G453-K455 PolarHBondContact O-N 3.31Å; K455-E457 HydrophobicContact CB-CG 4.47Å; K455-E457 PolarHBondContact O-N 3.44Å; K455-K492 PolarHBondContact NZ-O 3.38Å; K455-W520 PolarHBondContact N-O 3.39Å
456	I	92.6	Very high	91.4	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	23%	0.225	C	C	.	.			trans	-76.3	114.7	167.4	-63.8	173.5	0	0	0	106.9	I429 S446 T459 F490 A521 L523	I429-I456 HydrophobicContact CD1-CD1 4.38Å; S446-I456 PolarHBondContact OG-N 3.31Å; I456-T459 VanDerWaalsContact CG2-CB 3.47Å; I456-T459 HydrophobicContact CG2-CG2 3.82Å; I456-T459 WeakPolarHBondContact CG2-OG1 3.39Å; I456-F490 HydrophobicContact CB-CD1 4.34Å; I456-F490 HydrophobicContact CB-CE1 4.31Å; I456-F490 HydrophobicContact CG2-CD1 4.28Å; I456-F490 HydrophobicContact CG2-CD2 4.13Å; I456-F490 HydrophobicContact CG2-CE1 4.36Å; I456-F490 HydrophobicContact CG2-CE2 4.19Å; I456-F490 HydrophobicContact CG2-CG 4.17Å; I456-F490 HydrophobicContact CG2-CZ 4.3Å; I456-A521 HydrophobicContact CD1-CB 4.46Å; I456-A521 HydrophobicContact CG1-CB 3.68Å; I456-L523 HydrophobicContact CD1-CB 4.14Å; I456-L523 HydrophobicContact CD1-CD1 4.22Å
457	E	89.1	Confident	90.9	Very high	104 Å²	104	43.5 Å²	43.5	49%	0.486	24%	0.243	S	C	.	.			trans	-119.1	165.8	175	-61.2	-168.5	162.9	0	0	109.9	K455 T459	K455-E457 HydrophobicContact CB-CG 4.47Å; K455-E457 PolarHBondContact O-N 3.44Å; E457-T459 PolarHBondContact O-N 3.21Å; E457-T459 PolarHBondContact O-OG1 3.49Å
458	N	92.7	Very high	90	Very high	80 Å²	80	47.3 Å²	47.3	43%	0.428	26%	0.259	S	S	.	.	S	Bend	trans	49.7	36.8	175.6	-60.9	-60.2	0	0	0	114	L514 K515	N458-L514 VanDerWaalsContact O-CB 3.23Å; N458-L514 WeakPolarHBondContact O-CB 3.33Å; N458-L514 WeakPolarHBondContact O-CG 3.33Å; N458-L514 PolarHBondContact O-N 2.92Å; N458-K515 HydrophobicContact CB-CB 4.04Å; N458-K515 HydrophobicContact CB-CG 4.46Å
459	T	95.9	Very high	88.5	Confident	4 Å²	4	51.7 Å²	51.7	3%	0.025	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.8	-175	-63.2	0	0	0	0	109.5	I456 E457 N489 F490 L511 S512 V513	I456-T459 VanDerWaalsContact CG2-CB 3.47Å; I456-T459 HydrophobicContact CG2-CG2 3.82Å; I456-T459 WeakPolarHBondContact CG2-OG1 3.39Å; E457-T459 PolarHBondContact O-N 3.21Å; E457-T459 PolarHBondContact O-OG1 3.49Å; T459-N489 WeakPolarHBondContact O-CA 3.19Å; T459-F490 HydrophobicContact CG2-CD2 3.9Å; T459-F490 HydrophobicContact CG2-CE2 4.03Å; T459-F490 PolarHBondContact O-N 2.71Å; T459-L511 HydrophobicContact CG2-CB 3.89Å; T459-S512 CarbonylContact C-O 3.14Å; T459-S512 VanDerWaalsContact CA-O 3.27Å; T459-S512 WeakPolarHBondContact CA-O 3.45Å; T459-S512 WeakPolarHBondContact CG2-O 3.17Å; T459-V513 HydrophobicContact CG2-CG2 4.46Å
460	T	96.8	Very high	87.3	Confident	13 Å²	13	48 Å²	48	8%	0.08	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	149	177.3	45	0	0	0	0	112.1	E462 R486 G488 N489 L511 S512 L514	T460-E462 PolarHBondContact OG1-OE1 3.04Å; T460-R486 HydrophobicContact CG2-CG 4.48Å; T460-G488 CarbonylContact C-O 3.28Å; T460-G488 WeakPolarHBondContact CA-O 3.48Å; T460-N489 HydrophobicContact CG2-CB 4.37Å; T460-L511 CarbonylContact O-C 3.56Å; T460-L511 VanDerWaalsContact O-CA 3.3Å; T460-L511 WeakPolarHBondContact O-CA 3.42Å; T460-S512 PolarHBondContact N-O 2.98Å; T460-S512 PolarHBondContact O-N 3.37Å; T460-L514 HydrophobicContact CG2-CD1 3.68Å; T460-L514 HydrophobicContact CG2-CG 4.31Å
461	V	97.4	Very high	86.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123.2	167.9	-173.4	0	0	0	0	108.1	F442 F444 I487 G488 A495 L509 L511	F442-V461 HydrophobicContact CD2-CG1 4.04Å; F442-V461 HydrophobicContact CD2-CG2 4.33Å; F442-V461 HydrophobicContact CE1-CG1 4.41Å; F442-V461 HydrophobicContact CE2-CB 4.07Å; F442-V461 HydrophobicContact CE2-CG1 3.87Å; F442-V461 HydrophobicContact CE2-CG2 3.75Å; F442-V461 HydrophobicContact CG-CG1 4.37Å; F442-V461 HydrophobicContact CZ-CB 4.25Å; F442-V461 HydrophobicContact CZ-CG1 4.06Å; F442-V461 HydrophobicContact CZ-CG2 4.36Å; F444-V461 HydrophobicContact CD2-CG2 4.19Å; F444-V461 HydrophobicContact CE2-CG1 4.05Å; F444-V461 HydrophobicContact CE2-CG2 4.44Å; V461-I487 HydrophobicContact CB-CG1 4.33Å; V461-I487 HydrophobicContact CG1-CD1 4.21Å; V461-I487 HydrophobicContact CG1-CG1 4.06Å; V461-I487 WeakPolarHBondContact O-CG1 3.42Å; V461-I487 PolarHBondContact O-N 2.76Å; V461-G488 PolarHBondContact N-O 3.13Å; V461-G488 PolarHBondContact O-N 3.1Å; V461-A495 HydrophobicContact CG2-CB 3.59Å; V461-L509 HydrophobicContact CG1-CD1 4.5Å; V461-L509 HydrophobicContact CG1-CD2 4.04Å; V461-L509 HydrophobicContact CG1-CG 4.3Å; V461-L511 HydrophobicContact CB-CD2 4.36Å; V461-L511 HydrophobicContact CG1-CD2 4.26Å; V461-L511 HydrophobicContact CG2-CD2 3.88Å
462	E	96.9	Very high	84.9	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	141	-173.2	-61.1	-171.6	158.9	0	0	110.5	T460 T480 F484 Y485 R486 L509 R510	T460-E462 PolarHBondContact OG1-OE1 3.04Å; E462-T480 WeakPolarHBondContact OE1-CG2 3.47Å; E462-F484 HydrophobicContact CB-CB 4.06Å; E462-F484 HydrophobicContact CB-CD1 4.04Å; E462-F484 HydrophobicContact CB-CG 4.46Å; E462-Y485 CarbonylContact C-O 3.58Å; E462-Y485 WeakPolarHBondContact CA-O 3.47Å; E462-R486 HydrophobicContact CG-CG 3.75Å; E462-R486 WeakPolarHBondContact OE1-CG 3.09Å; E462-R486 IonicContact OE1-CZ 3.3Å; E462-R486 IonicContact OE1-NE 2.83Å; E462-R486 PolarHBondContact OE1-NE 2.94Å; E462-R486 IonicContact OE1-NH2 3.95Å; E462-L509 CarbonylContact O-C 3.57Å; E462-L509 WeakPolarHBondContact O-CA 3.32Å; E462-R510 HydrophobicContact CB-CB 4.34Å; E462-R510 PolarHBondContact N-O 3.02Å; E462-R510 PolarHBondContact O-N 2.9Å; E462-R510 IonicContact OE2-CZ 3.43Å; E462-R510 VanDerWaalsContact OE2-CZ 3.28Å; E462-R510 IonicContact OE2-NE 3.82Å; E462-R510 PolarHBondContact OE2-NE 2.87Å; E462-R510 IonicContact OE2-NH2 2.71Å; E462-R510 PolarHBondContact OE2-NH2 3.1Å
463	I	95.5	Very high	83.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140	-179.8	-78.7	-167.1	0	0	0	111.1	F484 Y485 I487 V499 F503 V506 L509	I463-F484 CarbonylContact O-C 3.6Å; I463-F484 WeakPolarHBondContact O-CA 3.29Å; I463-Y485 PolarHBondContact N-O 2.92Å; I463-Y485 PolarHBondContact O-N 2.93Å; I463-I487 HydrophobicContact CB-CD1 4.32Å; I463-I487 HydrophobicContact CD1-CD1 3.27Å; I463-I487 HydrophobicContact CD1-CG1 4.38Å; I463-I487 HydrophobicContact CG1-CD1 3.5Å; I463-I487 HydrophobicContact CG1-CG1 4.15Å; I463-V499 HydrophobicContact CD1-CG1 3.85Å; I463-V499 HydrophobicContact CD1-CG2 3.83Å; I463-F503 HydrophobicContact CG2-CB 4.17Å; I463-F503 HydrophobicContact CG2-CG 4.48Å; I463-V506 HydrophobicContact CD1-CG1 4.47Å; I463-V506 HydrophobicContact CD1-CG2 4.15Å; I463-V506 HydrophobicContact CG2-CB 4.3Å; I463-V506 HydrophobicContact CG2-CG1 3.73Å; I463-V506 HydrophobicContact CG2-CG2 3.65Å; I463-L509 HydrophobicContact CD1-CD1 4.36Å; I463-L509 HydrophobicContact CG1-CD1 4.29Å; I463-L509 HydrophobicContact CG1-CG 4.15Å
464	L	95.2	Very high	82.1	Confident	30 Å²	30	53.9 Å²	53.9	16%	0.157	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	105.3	169.3	-178.2	65.1	0	0	0	109.9	R483 F484 I507 A508	L464-R483 HydrophobicContact CD1-CB 4.19Å; L464-F484 HydrophobicContact CB-CD1 3.85Å; L464-F484 HydrophobicContact CB-CD2 4.41Å; L464-F484 HydrophobicContact CB-CE1 3.62Å; L464-F484 HydrophobicContact CB-CE2 4.21Å; L464-F484 HydrophobicContact CB-CG 4.24Å; L464-F484 HydrophobicContact CB-CZ 3.81Å; L464-F484 HydrophobicContact CD1-CD2 4.47Å; L464-F484 HydrophobicContact CD2-CE2 4.2Å; L464-F484 HydrophobicContact CD2-CZ 4.1Å; L464-F484 HydrophobicContact CG-CZ 4.49Å; L464-I507 HydrophobicContact CD2-CB 4.31Å; L464-I507 HydrophobicContact CD2-CG2 4.21Å; L464-I507 HydrophobicContact CG-CB 4.38Å; L464-I507 PolarHBondContact O-N 2.95Å; L464-A508 HydrophobicContact CB-CB 4.2Å; L464-A508 HydrophobicContact CD2-CB 4.41Å; L464-A508 PolarHBondContact N-O 2.76Å; L464-A508 PolarHBondContact O-N 3.08Å
465	P	93.3	Very high	80.7	Confident	9 Å²	9	62.2 Å²	62.2	6%	0.058	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	155.7	177.6	31.2	-35.2	0	0	0	112	L471 Y485 F503	P465-L471 HydrophobicContact CB-CD1 4.42Å; P465-L471 HydrophobicContact CG-CD1 4.11Å; P465-Y485 HydrophobicContact CG-CD2 4.19Å; P465-Y485 HydrophobicContact CG-CE2 4.03Å; P465-F503 HydrophobicContact CB-CD1 4.42Å; P465-F503 WeakPolarHBondContact CB-O 3.28Å; P465-F503 HydrophobicContact CG-CD1 4.33Å
466	S	90.8	Very high	80	Confident	56 Å²	56	65.6 Å²	65.6	39%	0.392	35%	0.352	S	S	.	.	S	Bend	trans	-75.8	-23.3	177.6	-173.4	0	0	0	0	114	P505	S466-P505 WeakPolarHBondContact CB-O 3.34Å; S466-P505 PolarHBondContact N-O 2.9Å
467	S	82.7	Confident	79.6	Confident	61 Å²	61	67.2 Å²	67.2	43%	0.427	36%	0.359	S	S	.	.			trans	-142.5	135	178.1	-179.6	0	0	0	0	108.6	S469	S467-S469 VanDerWaalsContact C-N 3.3Å; S467-S469 WeakPolarHBondContact OG-CB 3.43Å; S467-S469 PolarHBondContact OG-N 2.98Å; S467-S469 PolarHBondContact OG-OG 3.16Å
468	E	72.5	Confident	79.5	Confident	85 Å²	85	69 Å²	69	40%	0.397	37%	0.365	S	S	.	.			trans	-88.7	-3.3	172.9	-64.5	-173.2	168.8	0	0	111.9	G470 L471 R479	E468-G470 PolarHBondContact O-N 2.76Å; E468-L471 PolarHBondContact O-N 3.03Å; E468-R479 IonicContact OE1-CZ 2.76Å; E468-R479 IonicContact OE1-NE 3.03Å; E468-R479 IonicContact OE1-NH2 3.84Å; E468-R479 PolarHBondContact OE1-NH2 3.31Å; E468-R479 IonicContact OE2-NH2 2.82Å; E468-R479 PolarHBondContact OE2-NH2 2.86Å
469	S	57.8	Low	79.4	Confident	109 Å²	109	70.5 Å²	70.5	76%	0.762	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	99.9	-171.5	-41.5	0	0	0	0	110.6	S467	S467-S469 VanDerWaalsContact C-N 3.3Å; S467-S469 WeakPolarHBondContact OG-CB 3.43Å; S467-S469 PolarHBondContact OG-N 2.98Å; S467-S469 PolarHBondContact OG-OG 3.16Å
470	G	56.5	Low	79.1	Confident	70 Å²	70	71.4 Å²	71.4	72%	0.722	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.4	0.3	177.9	0	0	0	0	0	115.3	E468 Q472	E468-G470 PolarHBondContact O-N 2.76Å; G470-Q472 VanDerWaalsContact C-N 3.33Å; G470-Q472 PolarHBondContact O-N 3.07Å
471	L	62.7	Low	78.6	Confident	21 Å²	21	80.4 Å²	80.4	11%	0.11	41%	0.411	C	S	.	.			trans	-71.8	86.3	172.5	-85.1	137.5	0	0	0	110.4	P465 E468 T473 A502 F503	P465-L471 HydrophobicContact CB-CD1 4.42Å; P465-L471 HydrophobicContact CG-CD1 4.11Å; E468-L471 PolarHBondContact O-N 3.03Å; L471-T473 WeakPolarHBondContact CB-OG1 3.2Å; L471-T473 HydrophobicContact CD2-CG2 3.92Å; L471-T473 WeakPolarHBondContact CD2-OG1 3.48Å; L471-T473 PolarHBondContact O-N 2.98Å; L471-A502 HydrophobicContact CD2-CB 4.13Å; L471-F503 HydrophobicContact CD2-CD1 3.51Å; L471-F503 HydrophobicContact CD2-CE1 3.33Å; L471-F503 HydrophobicContact CD2-CG 4.26Å; L471-F503 HydrophobicContact CD2-CZ 3.98Å
472	Q	56.8	Low	78.3	Confident	193 Å²	193	83.9 Å²	83.9	90%	0.902	43%	0.43	S	S	*	.			trans	-69.2	13.4	166.2	-65.7	-166	-5.8	0	0	112.7	G470 K474	G470-Q472 VanDerWaalsContact C-N 3.33Å; G470-Q472 PolarHBondContact O-N 3.07Å; Q472-K474 PolarHBondContact O-N 2.79Å
473	T	57.8	Low	78	Confident	16 Å²	16	90.6 Å²	90.6	10%	0.098	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-87.1	7.1	-167.4	49.4	0	0	0	0	115.2	L471 E475 K476 Y477 A502	L471-T473 WeakPolarHBondContact CB-OG1 3.2Å; L471-T473 HydrophobicContact CD2-CG2 3.92Å; L471-T473 WeakPolarHBondContact CD2-OG1 3.48Å; L471-T473 PolarHBondContact O-N 2.98Å; T473-E475 PolarHBondContact O-N 2.6Å; T473-K476 PolarHBondContact O-N 3.4Å; T473-Y477 HydrophobicContact CG2-CD2 4.01Å; T473-Y477 HydrophobicContact CG2-CE2 4.24Å; T473-Y477 PolarHBondContact O-N 3.02Å; T473-Y477 VanDerWaalsContact O-N 3.11Å; T473-A502 HydrophobicContact CG2-CB 4.47Å
474	K	55.8	Low	77.9	Confident	186 Å²	186	91.3 Å²	91.3	81%	0.809	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-54.7	-24.8	-176.9	-75.4	-173.3	178.3	179.5	0	113.7	Q472	Q472-K474 PolarHBondContact O-N 2.79Å
475	E	63.6	Low	77.9	Confident	201 Å²	201	90.3 Å²	90.3	94%	0.939	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-88.5	-28.4	176.6	-64.2	-175.5	171.3	0	0	113.8	T473	T473-E475 PolarHBondContact O-N 2.6Å
476	K	77.7	Confident	77.9	Confident	134 Å²	134	93.2 Å²	93.2	58%	0.583	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-35.2	-173	-173.6	179.1	172.6	-162.7	0	113.2	T473 D500	T473-K476 PolarHBondContact O-N 3.4Å; K476-D500 IonicContact NZ-OD2 2.77Å; K476-D500 PolarHBondContact NZ-OD2 2.74Å
477	Y	84.4	Confident	78.1	Confident	39 Å²	39	92 Å²	92	15%	0.153	45%	0.451	C	S	.	.	S	Bend	trans	-126.2	130.6	-174.6	-61.2	-73.6	0	0	0	111.4	T473 R479 R486 I487 D500 F503	T473-Y477 HydrophobicContact CG2-CD2 4.01Å; T473-Y477 HydrophobicContact CG2-CE2 4.24Å; T473-Y477 PolarHBondContact O-N 3.02Å; T473-Y477 VanDerWaalsContact O-N 3.11Å; Y477-R479 PolarHBondContact O-N 3.35Å; Y477-R486 VanDerWaalsContact CD1-O 3.29Å; Y477-R486 WeakPolarHBondContact CD1-O 3.2Å; Y477-I487 HydrophobicContact CD1-CG2 4.15Å; Y477-I487 HydrophobicContact CE1-CB 4.4Å; Y477-I487 HydrophobicContact CE1-CG2 4.24Å; Y477-D500 HydrophobicContact CE2-CB 4.32Å; Y477-F503 HydrophobicContact CD1-CE2 4.45Å; Y477-F503 HydrophobicContact CD1-CZ 4.49Å; Y477-F503 AromaticContact CD2-CE2 3.53Å; Y477-F503 HydrophobicContact CD2-CE2 3.53Å; Y477-F503 AromaticContact CD2-CZ 3.4Å; Y477-F503 HydrophobicContact CD2-CZ 3.4Å; Y477-F503 VanDerWaalsContact CD2-CZ 3.4Å; Y477-F503 HydrophobicContact CE1-CE2 4.41Å; Y477-F503 AromaticContact CE2-CE2 3.5Å; Y477-F503 HydrophobicContact CE2-CE2 3.5Å; Y477-F503 VanDerWaalsContact CE2-CE2 3.5Å; Y477-F503 AromaticContact CE2-CZ 3.9Å; Y477-F503 HydrophobicContact CE2-CZ 3.9Å; Y477-F503 HydrophobicContact CG-CE2 4.02Å; Y477-F503 AromaticContact CG-CZ 3.74Å; Y477-F503 HydrophobicContact CG-CZ 3.74Å; Y477-F503 AromaticContact CZ-CE2 3.96Å
478	K	87.6	Confident	78.6	Confident	142 Å²	142	90 Å²	90	62%	0.617	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-74.6	119.7	178.1	-174.6	176	-179.4	177.9	0	110	R486	K478-R486 PolarHBondContact O-N 2.83Å
479	R	89.4	Confident	79.7	Confident	111 Å²	111	89.7 Å²	89.7	42%	0.419	44%	0.441	S	S	.	.	B	Isolated β-bridge	trans	-83.9	137.2	173	-167	179.7	-177.9	-119.9	15.4	110.6	E468 Y477 F484 Y485	E468-R479 IonicContact OE1-CZ 2.76Å; E468-R479 IonicContact OE1-NE 3.03Å; E468-R479 IonicContact OE1-NH2 3.84Å; E468-R479 PolarHBondContact OE1-NH2 3.31Å; E468-R479 IonicContact OE2-NH2 2.82Å; E468-R479 PolarHBondContact OE2-NH2 2.86Å; Y477-R479 PolarHBondContact O-N 3.35Å; R479-F484 CarbonylContact C-O 3.52Å; R479-F484 WeakPolarHBondContact CA-O 3.41Å; R479-Y485 HydrophobicContact CB-CD1 4.03Å; R479-Y485 HydrophobicContact CB-CE1 3.83Å; R479-Y485 WeakPolarHBondContact CD-OH 3.2Å; R479-Y485 HydrophobicContact CG-CD1 4.26Å; R479-Y485 HydrophobicContact CG-CE1 3.88Å; R479-Y485 HydrophobicContact CG-CE2 4.19Å; R479-Y485 PolarHBondContact NE-OH 3.12Å
480	T	89.1	Confident	81.5	Confident	23 Å²	23	85.2 Å²	85.2	14%	0.141	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-89.2	165.8	172.9	60.6	0	0	0	0	110.8	E462 D482 R483 F484	E462-T480 WeakPolarHBondContact OE1-CG2 3.47Å; T480-D482 VanDerWaalsContact CB-OD1 3.29Å; T480-D482 WeakPolarHBondContact CB-OD1 3.3Å; T480-D482 PolarHBondContact O-N 2.62Å; T480-D482 PolarHBondContact OG1-OD1 2.97Å; T480-R483 PolarHBondContact O-N 2.54Å; T480-R483 VanDerWaalsContact O-N 3.12Å; T480-F484 PolarHBondContact N-O 3.5Å; T480-F484 WeakPolarHBondContact OG1-CA 3.34Å; T480-F484 WeakPolarHBondContact OG1-CB 3.22Å; T480-F484 PolarHBondContact OG1-N 3.11Å; T480-F484 PolarHBondContact OG1-O 3.07Å; T480-F484 VanDerWaalsContact OG1-O 3.07Å
481	E	87.9	Confident	83.2	Confident	202 Å²	202	88.1 Å²	88.1	94%	0.944	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-33.2	-177.8	-64.4	-178	177.2	0	0	112.7	R483	E481-R483 PolarHBondContact O-N 3.06Å
482	D	90.3	Very high	84.4	Confident	73 Å²	73	96.3 Å²	96.3	39%	0.39	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	18.1	178.4	66.1	-16.2	0	0	0	114.1	T480 F484 R510	T480-D482 VanDerWaalsContact CB-OD1 3.29Å; T480-D482 WeakPolarHBondContact CB-OD1 3.3Å; T480-D482 PolarHBondContact O-N 2.62Å; T480-D482 PolarHBondContact OG1-OD1 2.97Å; D482-F484 VanDerWaalsContact C-N 3.34Å; D482-F484 PolarHBondContact O-N 2.77Å; D482-R510 IonicContact OD1-NH2 2.98Å; D482-R510 PolarHBondContact OD1-NH2 2.93Å; D482-R510 VanDerWaalsContact OD1-NH2 3.11Å; D482-R510 IonicContact OD2-CZ 2.97Å; D482-R510 IonicContact OD2-NH1 3.77Å; D482-R510 PolarHBondContact OD2-NH1 2.91Å; D482-R510 IonicContact OD2-NH2 3.8Å; D482-R510 PolarHBondContact OD2-NH2 2.93Å
483	R	91	Very high	86	Confident	142 Å²	142	87.1 Å²	87.1	54%	0.536	40%	0.395	S	S	.	.	S	Bend	trans	74.1	11.8	171.8	-44.1	-178.9	-73.4	174.6	-3.9	116.1	L464 T480 E481	L464-R483 HydrophobicContact CD1-CB 4.19Å; T480-R483 PolarHBondContact O-N 2.54Å; T480-R483 VanDerWaalsContact O-N 3.12Å; E481-R483 PolarHBondContact O-N 3.06Å
484	F	93.8	Very high	87.8	Confident	15 Å²	15	88 Å²	88	7%	0.066	40%	0.4	C	S	.	.			trans	-77.2	157.6	167.7	-74.5	-107.6	0	0	0	111.1	L430 E462 I463 L464 R479 T480 D482 A508 R510	L430-F484 HydrophobicContact CD1-CE1 4.34Å; L430-F484 HydrophobicContact CD1-CZ 4.1Å; E462-F484 HydrophobicContact CB-CB 4.06Å; E462-F484 HydrophobicContact CB-CD1 4.04Å; E462-F484 HydrophobicContact CB-CG 4.46Å; I463-F484 CarbonylContact O-C 3.6Å; I463-F484 WeakPolarHBondContact O-CA 3.29Å; L464-F484 HydrophobicContact CB-CD1 3.85Å; L464-F484 HydrophobicContact CB-CD2 4.41Å; L464-F484 HydrophobicContact CB-CE1 3.62Å; L464-F484 HydrophobicContact CB-CE2 4.21Å; L464-F484 HydrophobicContact CB-CG 4.24Å; L464-F484 HydrophobicContact CB-CZ 3.81Å; L464-F484 HydrophobicContact CD1-CD2 4.47Å; L464-F484 HydrophobicContact CD2-CE2 4.2Å; L464-F484 HydrophobicContact CD2-CZ 4.1Å; L464-F484 HydrophobicContact CG-CZ 4.49Å; R479-F484 CarbonylContact C-O 3.52Å; R479-F484 WeakPolarHBondContact CA-O 3.41Å; T480-F484 PolarHBondContact N-O 3.5Å; T480-F484 WeakPolarHBondContact OG1-CA 3.34Å; T480-F484 WeakPolarHBondContact OG1-CB 3.22Å; T480-F484 PolarHBondContact OG1-N 3.11Å; T480-F484 PolarHBondContact OG1-O 3.07Å; T480-F484 VanDerWaalsContact OG1-O 3.07Å; D482-F484 VanDerWaalsContact C-N 3.34Å; D482-F484 PolarHBondContact O-N 2.77Å; F484-A508 HydrophobicContact CE1-CB 4.21Å; F484-A508 HydrophobicContact CZ-CB 4.24Å; F484-R510 HydrophobicContact CD1-CB 4.1Å; F484-R510 HydrophobicContact CE1-CB 3.75Å; F484-R510 HydrophobicContact CZ-CB 4.45Å
485	Y	94	Very high	89.7	Confident	9 Å²	9	79.1 Å²	79.1	4%	0.035	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.1	175.2	-68.4	-98.3	0	0	0	109.8	E462 I463 P465 R479 I487 F503	E462-Y485 CarbonylContact C-O 3.58Å; E462-Y485 WeakPolarHBondContact CA-O 3.47Å; I463-Y485 PolarHBondContact N-O 2.92Å; I463-Y485 PolarHBondContact O-N 2.93Å; P465-Y485 HydrophobicContact CG-CD2 4.19Å; P465-Y485 HydrophobicContact CG-CE2 4.03Å; R479-Y485 HydrophobicContact CB-CD1 4.03Å; R479-Y485 HydrophobicContact CB-CE1 3.83Å; R479-Y485 WeakPolarHBondContact CD-OH 3.2Å; R479-Y485 HydrophobicContact CG-CD1 4.26Å; R479-Y485 HydrophobicContact CG-CE1 3.88Å; R479-Y485 HydrophobicContact CG-CE2 4.19Å; R479-Y485 PolarHBondContact NE-OH 3.12Å; Y485-I487 PolarHBondContact O-N 2.81Å; Y485-F503 AromaticContact CD1-CE1 3.85Å; Y485-F503 HydrophobicContact CD1-CE1 3.85Å; Y485-F503 HydrophobicContact CD1-CZ 4.26Å; Y485-F503 HydrophobicContact CD2-CD1 4.42Å; Y485-F503 AromaticContact CD2-CE1 3.87Å; Y485-F503 HydrophobicContact CD2-CE1 3.87Å; Y485-F503 HydrophobicContact CE1-CE1 4.47Å; Y485-F503 HydrophobicContact CG-CD1 4.41Å; Y485-F503 AromaticContact CG-CE1 3.49Å; Y485-F503 HydrophobicContact CG-CE1 3.49Å; Y485-F503 VanDerWaalsContact CG-CE1 3.49Å; Y485-F503 HydrophobicContact CG-CZ 4.13Å
486	R	94.6	Very high	91.3	Very high	69 Å²	69	76 Å²	76	26%	0.26	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	117.6	174.3	-72.4	175	-178.5	-172.4	5.5	109.8	T460 E462 Y477 K478	T460-R486 HydrophobicContact CG2-CG 4.48Å; E462-R486 HydrophobicContact CG-CG 3.75Å; E462-R486 WeakPolarHBondContact OE1-CG 3.09Å; E462-R486 IonicContact OE1-CZ 3.3Å; E462-R486 IonicContact OE1-NE 2.83Å; E462-R486 PolarHBondContact OE1-NE 2.94Å; E462-R486 IonicContact OE1-NH2 3.95Å; Y477-R486 VanDerWaalsContact CD1-O 3.29Å; Y477-R486 WeakPolarHBondContact CD1-O 3.2Å; K478-R486 PolarHBondContact O-N 2.83Å
487	I	94.3	Very high	92.1	Very high	30 Å²	30	71 Å²	71	15%	0.154	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-9.2	-175.8	61	156.2	0	0	0	113.7	F442 V461 I463 Y477 Y485 V499 F503	F442-I487 HydrophobicContact CD1-CD1 3.91Å; F442-I487 HydrophobicContact CE1-CD1 3.46Å; F442-I487 VanDerWaalsContact CE1-CD1 3.46Å; F442-I487 HydrophobicContact CE1-CG1 4.21Å; F442-I487 HydrophobicContact CZ-CD1 4.2Å; V461-I487 HydrophobicContact CB-CG1 4.33Å; V461-I487 HydrophobicContact CG1-CD1 4.21Å; V461-I487 HydrophobicContact CG1-CG1 4.06Å; V461-I487 WeakPolarHBondContact O-CG1 3.42Å; V461-I487 PolarHBondContact O-N 2.76Å; I463-I487 HydrophobicContact CB-CD1 4.32Å; I463-I487 HydrophobicContact CD1-CD1 3.27Å; I463-I487 HydrophobicContact CD1-CG1 4.38Å; I463-I487 HydrophobicContact CG1-CD1 3.5Å; I463-I487 HydrophobicContact CG1-CG1 4.15Å; Y477-I487 HydrophobicContact CD1-CG2 4.15Å; Y477-I487 HydrophobicContact CE1-CB 4.4Å; Y477-I487 HydrophobicContact CE1-CG2 4.24Å; Y485-I487 PolarHBondContact O-N 2.81Å; I487-V499 HydrophobicContact CD1-CG2 4.28Å; I487-F503 HydrophobicContact CG2-CD2 4.17Å; I487-F503 HydrophobicContact CG2-CE2 3.72Å; I487-F503 HydrophobicContact CG2-CZ 4.08Å
488	G	93.9	Very high	92.6	Very high	19 Å²	19	73.1 Å²	73.1	20%	0.196	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	177	177.4	0	0	0	0	0	112.2	T460 V461	T460-G488 CarbonylContact C-O 3.28Å; T460-G488 WeakPolarHBondContact CA-O 3.48Å; V461-G488 PolarHBondContact N-O 3.13Å; V461-G488 PolarHBondContact O-N 3.1Å
489	N	95.5	Very high	92.8	Very high	79 Å²	79	66.8 Å²	66.8	42%	0.422	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	155.5	179.8	54.9	-70.5	0	0	0	110.1	T459 T460 E491	T459-N489 WeakPolarHBondContact O-CA 3.19Å; T460-N489 HydrophobicContact CG2-CB 4.37Å; N489-E491 VanDerWaalsContact ND2-CG 3.27Å; N489-E491 WeakPolarHBondContact ND2-CG 3.35Å; N489-E491 PolarHBondContact ND2-OE1 2.53Å
490	F	95.3	Very high	92.8	Very high	15 Å²	15	63.4 Å²	63.4	7%	0.066	32%	0.322	C	S	.	.			trans	-73	128.1	170	-84	-99.1	0	0	0	110.4	F444 I456 T459 V494 A495 L511 L523	F444-F490 HydrophobicContact CB-CE1 4.06Å; F444-F490 HydrophobicContact CB-CE2 4.39Å; F444-F490 HydrophobicContact CB-CZ 3.54Å; F444-F490 HydrophobicContact CG-CZ 4.39Å; I456-F490 HydrophobicContact CB-CD1 4.34Å; I456-F490 HydrophobicContact CB-CE1 4.31Å; I456-F490 HydrophobicContact CG2-CD1 4.28Å; I456-F490 HydrophobicContact CG2-CD2 4.13Å; I456-F490 HydrophobicContact CG2-CE1 4.36Å; I456-F490 HydrophobicContact CG2-CE2 4.19Å; I456-F490 HydrophobicContact CG2-CG 4.17Å; I456-F490 HydrophobicContact CG2-CZ 4.3Å; T459-F490 HydrophobicContact CG2-CD2 3.9Å; T459-F490 HydrophobicContact CG2-CE2 4.03Å; T459-F490 PolarHBondContact O-N 2.71Å; F490-V494 WeakPolarHBondContact CA-O 3.36Å; F490-A495 HydrophobicContact CD1-CB 4.08Å; F490-A495 HydrophobicContact CD2-CB 3.66Å; F490-A495 HydrophobicContact CE1-CB 4.15Å; F490-A495 HydrophobicContact CE2-CB 3.75Å; F490-A495 HydrophobicContact CG-CB 3.85Å; F490-A495 HydrophobicContact CZ-CB 4Å; F490-L511 HydrophobicContact CE2-CD1 4.02Å; F490-L511 HydrophobicContact CE2-CD2 4.12Å; F490-L511 HydrophobicContact CZ-CD1 4.04Å; F490-L523 HydrophobicContact CZ-CD1 4.34Å
491	E	92.3	Very high	92.8	Very high	131 Å²	131	66.9 Å²	66.9	61%	0.612	35%	0.345	S	S	*	.	B	Isolated β-bridge	trans	-124.7	120.6	170.8	-62.1	-169.1	177.6	0	0	108.9	N489 G493 V494	N489-E491 VanDerWaalsContact ND2-CG 3.27Å; N489-E491 WeakPolarHBondContact ND2-CG 3.35Å; N489-E491 PolarHBondContact ND2-OE1 2.53Å; E491-G493 PolarHBondContact O-N 2.87Å; E491-V494 PolarHBondContact N-O 3.35Å; E491-V494 PolarHBondContact O-N 2.96Å
492	K	88	Confident	92.8	Very high	193 Å²	193	59.3 Å²	59.3	84%	0.839	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	29.4	-179.1	-58.5	179.1	179.8	175.1	0	114.3	K455	K455-K492 PolarHBondContact NZ-O 3.38Å
493	G	90.2	Very high	92.8	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.01	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	13.9	-178.6	0	0	0	0	0	114.5	S446 E491	S446-G493 WeakPolarHBondContact CA-O 3.36Å; S446-G493 WeakPolarHBondContact CB-O 3.45Å; S446-G493 PolarHBondContact N-O 3.46Å; E491-G493 PolarHBondContact O-N 2.87Å
494	V	95.3	Very high	92.8	Very high	33 Å²	33	50.6 Å²	50.6	20%	0.2	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.8	175	-174.8	0	0	0	0	109.7	L443 F444 R445 F490 E491 E496	L443-V494 HydrophobicContact CD1-CG1 3.87Å; F444-V494 WeakPolarHBondContact O-CA 3.47Å; R445-V494 HydrophobicContact CG-CG2 4.33Å; F490-V494 WeakPolarHBondContact CA-O 3.36Å; E491-V494 PolarHBondContact N-O 3.35Å; E491-V494 PolarHBondContact O-N 2.96Å; V494-E496 HydrophobicContact CG1-CB 4.49Å; V494-E496 HydrophobicContact CG1-CG 4.39Å
495	A	96.7	Very high	92.7	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.008	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	113.9	165.4	0	0	0	0	0	108.7	F442 L443 F444 V461 F490	F442-A495 HydrophobicContact CE2-CB 4.42Å; L443-A495 CarbonylContact C-O 3.6Å; L443-A495 WeakPolarHBondContact CA-O 3.26Å; F444-A495 HydrophobicContact CB-CB 4.42Å; F444-A495 HydrophobicContact CD2-CB 4.49Å; F444-A495 PolarHBondContact N-O 2.78Å; F444-A495 PolarHBondContact O-N 2.81Å; V461-A495 HydrophobicContact CG2-CB 3.59Å; F490-A495 HydrophobicContact CD1-CB 4.08Å; F490-A495 HydrophobicContact CD2-CB 3.66Å; F490-A495 HydrophobicContact CE1-CB 4.15Å; F490-A495 HydrophobicContact CE2-CB 3.75Å; F490-A495 HydrophobicContact CG-CB 3.85Å; F490-A495 HydrophobicContact CZ-CB 4Å
496	E	96.3	Very high	92.7	Very high	136 Å²	136	51.8 Å²	51.8	64%	0.636	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.1	149.5	177.6	68.5	-177.1	168.1	0	0	111.1	F442 L443 V494	F442-E496 VanDerWaalsContact O-CA 3.29Å; F442-E496 WeakPolarHBondContact O-CA 3.32Å; L443-E496 HydrophobicContact CB-CB 4.24Å; L443-E496 HydrophobicContact CD1-CB 3.79Å; V494-E496 HydrophobicContact CG1-CB 4.49Å; V494-E496 HydrophobicContact CG1-CG 4.39Å
497	G	94.4	Very high	92.8	Very high	27 Å²	27	51.5 Å²	51.5	28%	0.278	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	178.4	156.9	180	0	0	0	0	0	113.4	R441 F442	R441-G497 CarbonylContact C-O 3.56Å; R441-G497 VanDerWaalsContact CA-O 3.26Å; R441-G497 WeakPolarHBondContact CA-O 3.39Å; R441-G497 WeakPolarHBondContact CB-O 3.29Å; F442-G497 VanDerWaalsContact CD1-O 3.32Å; F442-G497 WeakPolarHBondContact CD1-O 3.42Å; F442-G497 WeakPolarHBondContact CE1-O 3.27Å; F442-G497 PolarHBondContact N-O 2.9Å; F442-G497 PolarHBondContact O-N 2.79Å; F442-G497 VanDerWaalsContact O-N 3.08Å
498	A	94.1	Very high	92.9	Very high	84 Å²	84	50.3 Å²	50.3	69%	0.694	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	141.8	167.8	0	0	0	0	0	109.9	E440	E440-A498 WeakPolarHBondContact O-CA 2.83Å
499	V	92.4	Very high	93.1	Very high	9 Å²	9	49.4 Å²	49.4	6%	0.055	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-87.9	124.4	174.1	177.6	0	0	0	0	108.5	I439 E440 F442 I463 I487 F503	I439-V499 HydrophobicContact CB-CB 4.34Å; I439-V499 HydrophobicContact CB-CG2 4.04Å; I439-V499 HydrophobicContact CG2-CB 4.3Å; I439-V499 HydrophobicContact CG2-CG2 3.59Å; E440-V499 PolarHBondContact O-N 2.79Å; F442-V499 HydrophobicContact CD1-CG2 3.84Å; F442-V499 HydrophobicContact CE1-CG2 4.43Å; I463-V499 HydrophobicContact CD1-CG1 3.85Å; I463-V499 HydrophobicContact CD1-CG2 3.83Å; I487-V499 HydrophobicContact CD1-CG2 4.28Å; V499-F503 HydrophobicContact CG1-CB 4.2Å
500	D	90.4	Very high	93.2	Very high	41 Å²	41	47.2 Å²	47.2	22%	0.219	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-58.6	126.1	176.2	-165.8	-46.2	0	0	0	109.1	K476 Y477 A502 F503	K476-D500 IonicContact NZ-OD2 2.77Å; K476-D500 PolarHBondContact NZ-OD2 2.74Å; Y477-D500 HydrophobicContact CE2-CB 4.32Å; D500-A502 PolarHBondContact O-N 2.68Å; D500-A502 WeakPolarHBondContact OD1-CB 3.26Å; D500-A502 PolarHBondContact OD1-N 3.37Å; D500-A502 VanDerWaalsContact OD1-N 3.1Å; D500-F503 HydrophobicContact CB-CD2 3.77Å; D500-F503 HydrophobicContact CB-CE2 4.02Å; D500-F503 PolarHBondContact O-N 2.93Å
501	P	89.1	Confident	93.3	Very high	95 Å²	95	46.6 Å²	46.6	62%	0.617	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-53	-24.8	-179.6	-28.4	35.6	0	0	0	114	F503 N504	P501-F503 PolarHBondContact O-N 3.22Å; P501-N504 WeakPolarHBondContact O-CB 3.5Å; P501-N504 PolarHBondContact O-N 2.98Å
502	A	88.1	Confident	93.5	Very high	43 Å²	43	41.3 Å²	41.3	36%	0.355	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-61.6	-21.5	175.4	0	0	0	0	0	114.2	L471 T473 D500	L471-A502 HydrophobicContact CD2-CB 4.13Å; T473-A502 HydrophobicContact CG2-CB 4.47Å; D500-A502 PolarHBondContact O-N 2.68Å; D500-A502 WeakPolarHBondContact OD1-CB 3.26Å; D500-A502 PolarHBondContact OD1-N 3.37Å; D500-A502 VanDerWaalsContact OD1-N 3.1Å
503	F	89.3	Confident	93.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-87.9	-10.8	175.2	-67.1	-65.1	0	0	0	113.6	I463 P465 L471 Y477 Y485 I487 V499 D500 P501 P505 V506	I463-F503 HydrophobicContact CG2-CB 4.17Å; I463-F503 HydrophobicContact CG2-CG 4.48Å; P465-F503 HydrophobicContact CB-CD1 4.42Å; P465-F503 WeakPolarHBondContact CB-O 3.28Å; P465-F503 HydrophobicContact CG-CD1 4.33Å; L471-F503 HydrophobicContact CD2-CD1 3.51Å; L471-F503 HydrophobicContact CD2-CE1 3.33Å; L471-F503 HydrophobicContact CD2-CG 4.26Å; L471-F503 HydrophobicContact CD2-CZ 3.98Å; Y477-F503 HydrophobicContact CD1-CE2 4.45Å; Y477-F503 HydrophobicContact CD1-CZ 4.49Å; Y477-F503 AromaticContact CD2-CE2 3.53Å; Y477-F503 HydrophobicContact CD2-CE2 3.53Å; Y477-F503 AromaticContact CD2-CZ 3.4Å; Y477-F503 HydrophobicContact CD2-CZ 3.4Å; Y477-F503 VanDerWaalsContact CD2-CZ 3.4Å; Y477-F503 HydrophobicContact CE1-CE2 4.41Å; Y477-F503 AromaticContact CE2-CE2 3.5Å; Y477-F503 HydrophobicContact CE2-CE2 3.5Å; Y477-F503 VanDerWaalsContact CE2-CE2 3.5Å; Y477-F503 AromaticContact CE2-CZ 3.9Å; Y477-F503 HydrophobicContact CE2-CZ 3.9Å; Y477-F503 HydrophobicContact CG-CE2 4.02Å; Y477-F503 AromaticContact CG-CZ 3.74Å; Y477-F503 HydrophobicContact CG-CZ 3.74Å; Y477-F503 AromaticContact CZ-CE2 3.96Å; Y485-F503 AromaticContact CD1-CE1 3.85Å; Y485-F503 HydrophobicContact CD1-CE1 3.85Å; Y485-F503 HydrophobicContact CD1-CZ 4.26Å; Y485-F503 HydrophobicContact CD2-CD1 4.42Å; Y485-F503 AromaticContact CD2-CE1 3.87Å; Y485-F503 HydrophobicContact CD2-CE1 3.87Å; Y485-F503 HydrophobicContact CE1-CE1 4.47Å; Y485-F503 HydrophobicContact CG-CD1 4.41Å; Y485-F503 AromaticContact CG-CE1 3.49Å; Y485-F503 HydrophobicContact CG-CE1 3.49Å; Y485-F503 VanDerWaalsContact CG-CE1 3.49Å; Y485-F503 HydrophobicContact CG-CZ 4.13Å; I487-F503 HydrophobicContact CG2-CD2 4.17Å; I487-F503 HydrophobicContact CG2-CE2 3.72Å; I487-F503 HydrophobicContact CG2-CZ 4.08Å; V499-F503 HydrophobicContact CG1-CB 4.2Å; D500-F503 HydrophobicContact CB-CD2 3.77Å; D500-F503 HydrophobicContact CB-CE2 4.02Å; D500-F503 PolarHBondContact O-N 2.93Å; P501-F503 PolarHBondContact O-N 3.22Å; F503-P505 CarbonylContact O-C 3.55Å; F503-V506 WeakPolarHBondContact O-CG2 3.45Å
504	N	90.8	Very high	94.1	Very high	33 Å²	33	35.2 Å²	35.2	18%	0.176	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-84	142.1	-178.1	-75.8	-46.5	0	0	0	111.4	S438 I439 P501	S438-N504 VanDerWaalsContact CA-OD1 3.31Å; S438-N504 WeakPolarHBondContact CA-OD1 3.43Å; I439-N504 PolarHBondContact N-OD1 2.98Å; I439-N504 PolarHBondContact O-ND2 3.11Å; P501-N504 WeakPolarHBondContact O-CB 3.5Å; P501-N504 PolarHBondContact O-N 2.98Å
505	P	93	Very high	94.1	Very high	49 Å²	49	40 Å²	40	32%	0.318	23%	0.234	S	C	.	.	S	Bend	cis	-82	150.4	-2.5	32.1	-32.4	0	0	0	112.8	P436 S466 F503	P436-P505 HydrophobicContact CB-CB 3.79Å; P436-P505 HydrophobicContact CB-CG 4.08Å; S466-P505 WeakPolarHBondContact CB-O 3.34Å; S466-P505 PolarHBondContact N-O 2.9Å; F503-P505 CarbonylContact O-C 3.55Å
506	V	93.9	Very high	94	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	131.9	-173.9	175	0	0	0	0	111.7	F433 P436 V437 I439 I463 F503 A508	F433-V506 HydrophobicContact CD2-CG1 4.27Å; F433-V506 HydrophobicContact CE2-CG1 3.88Å; P436-V506 CarbonylContact C-O 3.51Å; P436-V506 VanDerWaalsContact CA-O 3.28Å; P436-V506 WeakPolarHBondContact CA-O 3.34Å; V437-V506 PolarHBondContact N-O 2.86Å; V437-V506 WeakPolarHBondContact O-CB 3.13Å; V437-V506 PolarHBondContact O-N 2.85Å; I439-V506 HydrophobicContact CD1-CB 3.87Å; I439-V506 HydrophobicContact CD1-CG1 3.94Å; I439-V506 HydrophobicContact CD1-CG2 4.07Å; I439-V506 HydrophobicContact CG1-CB 4.39Å; I439-V506 HydrophobicContact CG1-CG2 4.43Å; I463-V506 HydrophobicContact CD1-CG1 4.47Å; I463-V506 HydrophobicContact CD1-CG2 4.15Å; I463-V506 HydrophobicContact CG2-CB 4.3Å; I463-V506 HydrophobicContact CG2-CG1 3.73Å; I463-V506 HydrophobicContact CG2-CG2 3.65Å; F503-V506 WeakPolarHBondContact O-CG2 3.45Å; V506-A508 VanDerWaalsContact CG1-O 3.28Å; V506-A508 WeakPolarHBondContact CG1-O 3.33Å
507	I	95.9	Very high	93.7	Very high	63 Å²	63	40 Å²	40	32%	0.323	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-43.8	175.3	-65.9	175.9	0	0	0	111.4	F433 P436 L464	F433-I507 VanDerWaalsContact CD2-O 3.31Å; F433-I507 WeakPolarHBondContact CD2-O 3.45Å; F433-I507 PolarHBondContact N-O 3.45Å; P436-I507 HydrophobicContact CG-CG1 4.4Å; L464-I507 HydrophobicContact CD2-CB 4.31Å; L464-I507 HydrophobicContact CD2-CG2 4.21Å; L464-I507 HydrophobicContact CG-CB 4.38Å; L464-I507 PolarHBondContact O-N 2.95Å
508	A	96.8	Very high	93.5	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.033	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	153.2	-177.7	0	0	0	0	0	111.8	L430 F431 L464 F484 V506	L430-A508 HydrophobicContact CD1-CB 4.05Å; F431-A508 CarbonylContact O-C 3.52Å; F431-A508 VanDerWaalsContact O-CA 3.22Å; F431-A508 WeakPolarHBondContact O-CA 3.44Å; F431-A508 WeakPolarHBondContact O-CB 3.5Å; L464-A508 HydrophobicContact CB-CB 4.2Å; L464-A508 HydrophobicContact CD2-CB 4.41Å; L464-A508 PolarHBondContact N-O 2.76Å; L464-A508 PolarHBondContact O-N 3.08Å; F484-A508 HydrophobicContact CE1-CB 4.21Å; F484-A508 HydrophobicContact CZ-CB 4.24Å; V506-A508 VanDerWaalsContact CG1-O 3.28Å; V506-A508 WeakPolarHBondContact CG1-O 3.33Å
509	L	97.3	Very high	93.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135.4	171.2	-171.2	158	0	0	0	107.9	F431 F433 I439 F442 F444 V461 E462 I463 L511 I528	F431-L509 HydrophobicContact CB-CB 4.47Å; F431-L509 HydrophobicContact CD2-CB 4.37Å; F431-L509 HydrophobicContact CD2-CD2 3.67Å; F431-L509 WeakPolarHBondContact CD2-O 3.27Å; F431-L509 HydrophobicContact CE2-CD2 4.02Å; F431-L509 PolarHBondContact N-O 2.78Å; F431-L509 PolarHBondContact O-N 2.82Å; F433-L509 HydrophobicContact CE2-CB 4.28Å; F433-L509 HydrophobicContact CZ-CB 4.35Å; I439-L509 HydrophobicContact CD1-CD1 4.48Å; F442-L509 HydrophobicContact CB-CD1 4.35Å; F444-L509 HydrophobicContact CE1-CD2 4.39Å; F444-L509 HydrophobicContact CE2-CD1 4.28Å; F444-L509 HydrophobicContact CE2-CD2 3.74Å; F444-L509 HydrophobicContact CZ-CD1 4.06Å; F444-L509 HydrophobicContact CZ-CD2 3.38Å; F444-L509 HydrophobicContact CZ-CG 4.39Å; V461-L509 HydrophobicContact CG1-CD1 4.5Å; V461-L509 HydrophobicContact CG1-CD2 4.04Å; V461-L509 HydrophobicContact CG1-CG 4.3Å; E462-L509 CarbonylContact O-C 3.57Å; E462-L509 WeakPolarHBondContact O-CA 3.32Å; I463-L509 HydrophobicContact CD1-CD1 4.36Å; I463-L509 HydrophobicContact CG1-CD1 4.29Å; I463-L509 HydrophobicContact CG1-CG 4.15Å; L509-L511 HydrophobicContact CD2-CD2 4.09Å; L509-I528 HydrophobicContact CD1-CD1 4.32Å
510	R	97.6	Very high	93.6	Very high	34 Å²	34	45.9 Å²	45.9	13%	0.128	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.6	-179.4	179.5	173.5	64.5	-161.5	-1.1	111.3	I429 L430 E462 D482 F484	I429-R510 CarbonylContact O-C 3.58Å; I429-R510 VanDerWaalsContact O-CA 3.28Å; I429-R510 WeakPolarHBondContact O-CA 3.29Å; L430-R510 HydrophobicContact CD1-CB 3.99Å; E462-R510 HydrophobicContact CB-CB 4.34Å; E462-R510 PolarHBondContact N-O 3.02Å; E462-R510 PolarHBondContact O-N 2.9Å; E462-R510 IonicContact OE2-CZ 3.43Å; E462-R510 VanDerWaalsContact OE2-CZ 3.28Å; E462-R510 IonicContact OE2-NE 3.82Å; E462-R510 PolarHBondContact OE2-NE 2.87Å; E462-R510 IonicContact OE2-NH2 2.71Å; E462-R510 PolarHBondContact OE2-NH2 3.1Å; D482-R510 IonicContact OD1-NH2 2.98Å; D482-R510 PolarHBondContact OD1-NH2 2.93Å; D482-R510 VanDerWaalsContact OD1-NH2 3.11Å; D482-R510 IonicContact OD2-CZ 2.97Å; D482-R510 IonicContact OD2-NH1 3.77Å; D482-R510 PolarHBondContact OD2-NH1 2.91Å; D482-R510 IonicContact OD2-NH2 3.8Å; D482-R510 PolarHBondContact OD2-NH2 2.93Å; F484-R510 HydrophobicContact CD1-CB 4.1Å; F484-R510 HydrophobicContact CE1-CB 3.75Å; F484-R510 HydrophobicContact CZ-CB 4.45Å
511	L	97.9	Very high	93.7	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	124.9	161.5	-45.6	-178.2	0	0	0	107.5	Y428 I429 F431 F444 T459 T460 V461 F490 L509 L523	Y428-L511 CarbonylContact C-O 3.52Å; Y428-L511 WeakPolarHBondContact CA-O 3.4Å; I429-L511 HydrophobicContact CB-CB 4.13Å; I429-L511 HydrophobicContact CB-CD1 4.29Å; I429-L511 HydrophobicContact CB-CG 4.3Å; I429-L511 HydrophobicContact CD1-CD1 4.27Å; I429-L511 HydrophobicContact CG2-CD1 4.4Å; I429-L511 PolarHBondContact N-O 2.8Å; I429-L511 PolarHBondContact O-N 2.79Å; F431-L511 HydrophobicContact CE2-CD1 4.32Å; F431-L511 HydrophobicContact CE2-CG 4.12Å; F444-L511 HydrophobicContact CD1-CD1 4.13Å; F444-L511 HydrophobicContact CD1-CD2 4.49Å; F444-L511 HydrophobicContact CD2-CD2 3.88Å; F444-L511 HydrophobicContact CE1-CD1 4.49Å; F444-L511 HydrophobicContact CE1-CD2 4.45Å; F444-L511 HydrophobicContact CE2-CD2 3.87Å; F444-L511 HydrophobicContact CG-CD1 4.28Å; F444-L511 HydrophobicContact CG-CD2 4.22Å; F444-L511 HydrophobicContact CZ-CD2 4.18Å; T459-L511 HydrophobicContact CG2-CB 3.89Å; T460-L511 CarbonylContact O-C 3.56Å; T460-L511 VanDerWaalsContact O-CA 3.3Å; T460-L511 WeakPolarHBondContact O-CA 3.42Å; V461-L511 HydrophobicContact CB-CD2 4.36Å; V461-L511 HydrophobicContact CG1-CD2 4.26Å; V461-L511 HydrophobicContact CG2-CD2 3.88Å; F490-L511 HydrophobicContact CE2-CD1 4.02Å; F490-L511 HydrophobicContact CE2-CD2 4.12Å; F490-L511 HydrophobicContact CZ-CD1 4.04Å; L509-L511 HydrophobicContact CD2-CD2 4.09Å; L511-L523 HydrophobicContact CD1-CD2 4.25Å
512	S	97.1	Very high	94	Very high	19 Å²	19	39.4 Å²	39.4	13%	0.133	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.8	-177.4	-177.3	0	0	0	0	111	T459 T460	T459-S512 CarbonylContact C-O 3.14Å; T459-S512 VanDerWaalsContact CA-O 3.27Å; T459-S512 WeakPolarHBondContact CA-O 3.45Å; T459-S512 WeakPolarHBondContact CG2-O 3.17Å; T460-S512 PolarHBondContact N-O 2.98Å; T460-S512 PolarHBondContact O-N 3.37Å
513	V	96.5	Very high	94.4	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	120.8	-180	-179	0	0	0	0	109.2	M400 P423 T424 G426 D427 T459 K515	M400-V513 HydrophobicContact CE-CG2 3.37Å; P423-V513 HydrophobicContact CB-CG1 4.28Å; P423-V513 HydrophobicContact CB-CG2 4.09Å; T424-V513 WeakPolarHBondContact O-CG1 3.38Å; G426-V513 PolarHBondContact N-O 2.78Å; D427-V513 HydrophobicContact CB-CB 4.23Å; D427-V513 HydrophobicContact CB-CG2 4.03Å; D427-V513 WeakPolarHBondContact O-CB 3.42Å; D427-V513 WeakPolarHBondContact O-CG2 3.35Å; D427-V513 PolarHBondContact O-N 3.37Å; T459-V513 HydrophobicContact CG2-CG2 4.46Å; V513-K515 WeakPolarHBondContact CG1-O 3.35Å
514	L	94.3	Very high	94.6	Very high	64 Å²	64	37.7 Å²	37.7	34%	0.335	21%	0.209	S	C	.	.			trans	-92.3	-20.2	-175.3	-56.2	-176.3	0	0	0	113.8	S425 N458 T460	S425-L514 PolarHBondContact OG-O 2.73Å; N458-L514 VanDerWaalsContact O-CB 3.23Å; N458-L514 WeakPolarHBondContact O-CB 3.33Å; N458-L514 WeakPolarHBondContact O-CG 3.33Å; N458-L514 PolarHBondContact O-N 2.92Å; T460-L514 HydrophobicContact CG2-CD1 3.68Å; T460-L514 HydrophobicContact CG2-CG 4.31Å
515	K	94.3	Very high	94.8	Very high	134 Å²	134	36.4 Å²	36.4	58%	0.583	20%	0.201	S	C	*	.	S	Bend	trans	-147.3	151.6	-176.9	-66.4	-174	178.8	179.4	0	110	N458 V513 S517	N458-K515 HydrophobicContact CB-CB 4.04Å; N458-K515 HydrophobicContact CB-CG 4.46Å; V513-K515 WeakPolarHBondContact CG1-O 3.35Å; K515-S517 PolarHBondContact O-N 2.9Å
516	D	93.8	Very high	94.9	Very high	114 Å²	114	34.2 Å²	34.2	61%	0.61	19%	0.187	S	C	*	.			trans	-56.6	134.9	174.1	-58.3	-13.9	0	0	0	110.6	S425	S425-D516 WeakPolarHBondContact CB-OD1 3.28Å; S425-D516 PolarHBondContact N-OD1 3.07Å
517	S	91.9	Very high	95	Very high	23 Å²	23	36.6 Å²	36.6	16%	0.161	20%	0.198	C	C	.	.			trans	-85.5	148.9	173.6	-174.3	0	0	0	0	110.3	T422 P423 K515 V519	T422-S517 WeakPolarHBondContact CG2-O 3.29Å; P423-S517 WeakPolarHBondContact O-CB 3.23Å; P423-S517 PolarHBondContact O-N 2.76Å; K515-S517 PolarHBondContact O-N 2.9Å; S517-V519 WeakPolarHBondContact CB-O 3.47Å; S517-V519 WeakPolarHBondContact OG-CG2 3.44Å; S517-V519 PolarHBondContact OG-N 2.88Å; S517-V519 VanDerWaalsContact OG-N 3.13Å; S517-V519 PolarHBondContact OG-O 2.74Å
518	A	90.1	Very high	94.9	Very high	103 Å²	103	33.7 Å²	33.7	85%	0.851	18%	0.183	S	C	*	.	S	Bend	trans	-88.9	-11.2	168.7	0	0	0	0	0	112.6
519	V	92.5	Very high	94.6	Very high	53 Å²	53	36.6 Å²	36.6	32%	0.321	20%	0.195	S	C	.	.	S	Bend	trans	-128.6	161.2	-172.4	-63.8	0	0	0	0	111.1	P423 S517	P423-V519 WeakPolarHBondContact CD-O 3.35Å; S517-V519 WeakPolarHBondContact CB-O 3.47Å; S517-V519 WeakPolarHBondContact OG-CG2 3.44Å; S517-V519 PolarHBondContact OG-N 2.88Å; S517-V519 VanDerWaalsContact OG-N 3.13Å; S517-V519 PolarHBondContact OG-O 2.74Å
520	W	94.2	Very high	94.3	Very high	86 Å²	86	42 Å²	42	33%	0.326	22%	0.216	S	C	.	.			trans	-67.1	163.8	171.3	-69.2	9.8	0	0	0	110.8	Y403 W419 A420 T422 D454 K455	Y403-W520 HydrophobicContact CD1-CE3 4.46Å; Y403-W520 AromaticContact CD1-CZ3 3.81Å; Y403-W520 HydrophobicContact CD1-CZ3 3.81Å; Y403-W520 AromaticContact CD2-CH2 3.97Å; Y403-W520 HydrophobicContact CD2-CH2 3.97Å; Y403-W520 AromaticContact CD2-CZ3 3.93Å; Y403-W520 HydrophobicContact CD2-CZ3 3.93Å; Y403-W520 HydrophobicContact CE1-CH2 4.28Å; Y403-W520 AromaticContact CE1-CZ3 3.64Å; Y403-W520 HydrophobicContact CE1-CZ3 3.64Å; Y403-W520 AromaticContact CE2-CH2 3.63Å; Y403-W520 HydrophobicContact CE2-CH2 3.63Å; Y403-W520 AromaticContact CE2-CZ3 3.8Å; Y403-W520 HydrophobicContact CE2-CZ3 3.8Å; Y403-W520 HydrophobicContact CG-CH2 4.43Å; Y403-W520 AromaticContact CG-CZ3 3.94Å; Y403-W520 HydrophobicContact CG-CZ3 3.94Å; Y403-W520 AromaticContact CZ-CH2 3.78Å; Y403-W520 AromaticContact CZ-CZ3 3.62Å; W419-W520 AromaticContact CE2-CE3 3.78Å; W419-W520 AromaticContact CZ2-CE3 3.79Å; W419-W520 HydrophobicContact CZ2-CE3 3.79Å; W419-W520 AromaticContact CZ2-CZ3 3.92Å; W419-W520 HydrophobicContact CZ2-CZ3 3.92Å; W419-W520 AromaticContact NE1-CE3 3.6Å; A420-W520 WeakPolarHBondContact O-CB 3.42Å; T422-W520 VanDerWaalsContact OG1-CD1 3.23Å; D454-W520 CarbonylContact C-O 3.55Å; D454-W520 VanDerWaalsContact C-O 3.23Å; D454-W520 WeakPolarHBondContact CA-O 3.26Å; D454-W520 HydrophobicContact CB-CB 4.42Å; K455-W520 PolarHBondContact N-O 3.39Å
521	A	94	Very high	93.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.9	-175.2	0	0	0	0	0	111.6	W419 A420 P423 I456	W419-A521 WeakPolarHBondContact CA-O 3.44Å; A420-A521 PolarHBondContact N-O 3.09Å; A420-A521 PolarHBondContact O-N 2.89Å; P423-A521 HydrophobicContact CG-CB 3.42Å; P423-A521 VanDerWaalsContact CG-CB 3.42Å; I456-A521 HydrophobicContact CD1-CB 4.46Å; I456-A521 HydrophobicContact CG1-CB 3.68Å
522	I	95.9	Very high	92	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.1	167.4	-70.6	174	0	0	0	110	F417 F418 W419 S446 G447 N448 H451 D454	F417-I522 HydrophobicContact CB-CG2 4.34Å; F417-I522 HydrophobicContact CD2-CD1 4.36Å; F417-I522 HydrophobicContact CD2-CG1 4.2Å; F417-I522 HydrophobicContact CD2-CG2 3.75Å; F417-I522 HydrophobicContact CE2-CD1 4.06Å; F417-I522 HydrophobicContact CE2-CG1 4.24Å; F417-I522 HydrophobicContact CE2-CG2 4.47Å; F417-I522 HydrophobicContact CG-CG2 4.35Å; F418-I522 CarbonylContact O-C 3.6Å; F418-I522 WeakPolarHBondContact O-CA 3.49Å; W419-I522 HydrophobicContact CB-CG1 4.32Å; W419-I522 HydrophobicContact CD2-CD1 4.34Å; W419-I522 HydrophobicContact CD2-CG1 4.35Å; W419-I522 HydrophobicContact CG-CD1 4.26Å; W419-I522 HydrophobicContact CG-CG1 3.76Å; S446-I522 CarbonylContact C-O 3.51Å; S446-I522 WeakPolarHBondContact CA-O 3.38Å; S446-I522 WeakPolarHBondContact CB-O 3.45Å; S446-I522 PolarHBondContact OG-O 3.31Å; G447-I522 PolarHBondContact N-O 2.8Å; G447-I522 VanDerWaalsContact N-O 3.1Å; N448-I522 HydrophobicContact CB-CG2 4.43Å; H451-I522 HydrophobicContact CB-CD1 3.61Å; D454-I522 HydrophobicContact CB-CB 4.36Å; D454-I522 HydrophobicContact CB-CD1 3.71Å; D454-I522 HydrophobicContact CB-CG1 3.8Å; D454-I522 WeakPolarHBondContact O-CB 3.32Å; D454-I522 PolarHBondContact O-N 3.25Å; D454-I522 VanDerWaalsContact O-N 3.1Å
523	L	96	Very high	89.6	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	111.1	164.8	-174.2	69.8	0	0	0	108.1	L408 T411 F418 I429 F444 R445 I456 F490 L511 I526	L408-L523 HydrophobicContact CD1-CD2 4.5Å; T411-L523 WeakPolarHBondContact CG2-O 3.38Å; F418-L523 HydrophobicContact CB-CB 4Å; F418-L523 HydrophobicContact CD1-CB 4.2Å; F418-L523 PolarHBondContact N-O 2.92Å; F418-L523 PolarHBondContact O-N 3.4Å; I429-L523 HydrophobicContact CD1-CD2 4.14Å; F444-L523 HydrophobicContact CB-CD1 4.04Å; F444-L523 HydrophobicContact CD1-CD1 4.49Å; R445-L523 WeakPolarHBondContact O-CD1 2.91Å; I456-L523 HydrophobicContact CD1-CB 4.14Å; I456-L523 HydrophobicContact CD1-CD1 4.22Å; F490-L523 HydrophobicContact CZ-CD1 4.34Å; L511-L523 HydrophobicContact CD1-CD2 4.25Å; L523-I526 HydrophobicContact CD2-CD1 3.65Å; L523-I526 HydrophobicContact CD2-CG1 3.67Å; L523-I526 HydrophobicContact CG-CD1 4.34Å; L523-I526 HydrophobicContact CG-CG1 3.98Å
524	S	93.4	Very high	89.3	Confident	8 Å²	8	58.6 Å²	58.6	6%	0.056	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-15.7	-169.4	55.7	0	0	0	0	114.2	L385 H386 K387 R445 G447	L385-S524 WeakPolarHBondContact O-CB 3.32Å; H386-S524 CarbonylContact C-O 3.58Å; H386-S524 WeakPolarHBondContact CA-O 3.45Å; H386-S524 VanDerWaalsContact CB-O 3.3Å; H386-S524 WeakPolarHBondContact CB-O 3.48Å; K387-S524 PolarHBondContact N-O 3.5Å; R445-S524 PolarHBondContact O-N 3.1Å; R445-S524 PolarHBondContact O-OG 3.17Å; G447-S524 VanDerWaalsContact O-CB 3.27Å; G447-S524 WeakPolarHBondContact O-CB 3.11Å; G447-S524 PolarHBondContact O-OG 2.82Å
525	E	94	Very high	89	Confident	5 Å²	5	58.3 Å²	58.3	2%	0.023	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	127.3	175.8	-171	173.6	-164.5	0	0	109	K387 H389 L443 F444 R445	K387-E525 HydrophobicContact CB-CB 4.24Å; K387-E525 HydrophobicContact CB-CG 3.91Å; K387-E525 WeakPolarHBondContact CD-OE1 3.43Å; K387-E525 VanDerWaalsContact CE-OE1 3.23Å; K387-E525 WeakPolarHBondContact CE-OE1 3.23Å; K387-E525 HydrophobicContact CG-CG 4.31Å; K387-E525 IonicContact NZ-OE1 3.28Å; K387-E525 PolarHBondContact NZ-OE1 2.93Å; H389-E525 IonicContact CD2-OE1 2.69Å; H389-E525 IonicContact CE1-OE1 3.05Å; H389-E525 WeakPolarHBondContact NE2-CG 3.17Å; H389-E525 IonicContact NE2-OE1 3.33Å; H389-E525 PolarHBondContact NE2-OE1 2.87Å; L443-E525 HydrophobicContact CD2-CG 4.42Å; F444-E525 WeakPolarHBondContact CA-O 3.5Å; R445-E525 HydrophobicContact CB-CB 3.58Å; R445-E525 IonicContact CZ-OE2 2.86Å; R445-E525 PolarHBondContact N-O 3.07Å; R445-E525 IonicContact NE-OE2 2.62Å; R445-E525 PolarHBondContact NE-OE2 3.31Å; R445-E525 IonicContact NH2-OE2 3.11Å; R445-E525 PolarHBondContact O-N 2.95Å
526	I	95.7	Very high	88.7	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	117.1	169.4	-58.4	172.3	0	0	0	107.2	N391 L408 T411 Y412 F431 F444 L523 I528	N391-I526 PolarHBondContact ND2-O 3.21Å; N391-I526 PolarHBondContact OD1-O 3.27Å; L408-I526 HydrophobicContact CD1-CD1 4.28Å; T411-I526 HydrophobicContact CG2-CD1 3.71Å; T411-I526 HydrophobicContact CG2-CG1 4.18Å; Y412-I526 HydrophobicContact CD2-CD1 4.18Å; Y412-I526 HydrophobicContact CD2-CG2 3.92Å; Y412-I526 HydrophobicContact CE2-CG2 4Å; F431-I526 HydrophobicContact CE1-CD1 3.86Å; F431-I526 HydrophobicContact CE1-CG2 4.36Å; F431-I526 HydrophobicContact CZ-CD1 3.97Å; F431-I526 HydrophobicContact CZ-CG2 4.39Å; F444-I526 HydrophobicContact CD1-CB 4.49Å; F444-I526 HydrophobicContact CD1-CG1 4.26Å; F444-I526 HydrophobicContact CD1-CG2 4.16Å; F444-I526 HydrophobicContact CE1-CG2 3.74Å; L523-I526 HydrophobicContact CD2-CD1 3.65Å; L523-I526 HydrophobicContact CD2-CG1 3.67Å; L523-I526 HydrophobicContact CG-CD1 4.34Å; L523-I526 HydrophobicContact CG-CG1 3.98Å; I526-I528 HydrophobicContact CG2-CD1 4.49Å; I526-I528 HydrophobicContact CG2-CG1 4.34Å
527	H	94.9	Very high	88.4	Confident	49 Å²	49	50.5 Å²	50.5	23%	0.227	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	112.1	175.5	-169.6	140.7	0	0	0	109.4	H389 N391 F442 L443	H389-H527 HydrophobicContact CB-CB 4.3Å; H389-H527 AromaticContact CD2-CG 3.87Å; H389-H527 AromaticContact CD2-ND1 3.58Å; H389-H527 AromaticContact CE1-CE1 3.86Å; H389-H527 AromaticContact CE1-ND1 3.09Å; H389-H527 PolarHBondContact CE1-ND1 3.44Å; H389-H527 AromaticContact CG-CE1 3.98Å; H389-H527 AromaticContact CG-CG 3.67Å; H389-H527 AromaticContact CG-ND1 3.22Å; H389-H527 AromaticContact ND1-CE1 3.4Å; H389-H527 PolarHBondContact ND1-CE1 3.13Å; H389-H527 AromaticContact ND1-CG 3.81Å; H389-H527 AromaticContact ND1-ND1 2.89Å; H389-H527 PolarHBondContact ND1-ND1 2.86Å; H389-H527 AromaticContact NE2-ND1 3.46Å; H389-H527 PolarHBondContact NE2-ND1 2.78Å; N391-H527 WeakPolarHBondContact OD1-CA 3.31Å; F442-H527 CarbonylContact C-O 3.53Å; F442-H527 WeakPolarHBondContact CA-O 3.27Å; L443-H527 HydrophobicContact CB-CB 4.15Å; L443-H527 PolarHBondContact N-O 2.91Å; L443-H527 PolarHBondContact O-N 2.76Å
528	I	94.9	Very high	88.2	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	100.3	173	-56.3	177.6	0	0	0	107.8	N391 P392 Y412 F431 F433 I439 F444 L509 I526	N391-I528 PolarHBondContact OD1-N 3.31Å; P392-I528 WeakPolarHBondContact CD-O 3.38Å; P392-I528 HydrophobicContact CG-CB 4.31Å; P392-I528 HydrophobicContact CG-CG2 4Å; Y412-I528 HydrophobicContact CE2-CD1 4.1Å; F431-I528 HydrophobicContact CG-CD1 4.41Å; F433-I528 HydrophobicContact CE1-CD1 4.16Å; F433-I528 HydrophobicContact CE1-CG2 4.42Å; F433-I528 HydrophobicContact CZ-CD1 3.95Å; F433-I528 HydrophobicContact CZ-CG2 4.11Å; I439-I528 HydrophobicContact CD1-CG2 3.79Å; I439-I528 HydrophobicContact CG1-CG2 3.98Å; I439-I528 HydrophobicContact CG2-CG2 3.89Å; F444-I528 HydrophobicContact CZ-CD1 4.33Å; F444-I528 HydrophobicContact CZ-CG1 4.25Å; L509-I528 HydrophobicContact CD1-CD1 4.32Å; I526-I528 HydrophobicContact CG2-CD1 4.49Å; I526-I528 HydrophobicContact CG2-CG1 4.34Å
529	K	91.2	Very high	88.1	Confident	65 Å²	65	48.9 Å²	48.9	28%	0.283	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	126.9	-174.6	-162.9	-174	177.2	-143.4	0	110.1	E440 R441	E440-K529 PolarHBondContact N-O 3.42Å; E440-K529 IonicContact OE1-NZ 3.59Å; E440-K529 PolarHBondContact OE1-NZ 2.85Å; E440-K529 WeakPolarHBondContact OE2-CD 3.14Å; E440-K529 WeakPolarHBondContact OE2-CE 3.41Å; E440-K529 IonicContact OE2-NZ 2.77Å; E440-K529 PolarHBondContact OE2-NZ 2.88Å; R441-K529 HydrophobicContact CG-CB 3.59Å; R441-K529 HydrophobicContact CG-CD 4Å; R441-K529 HydrophobicContact CG-CG 4.43Å; R441-K529 PolarHBondContact O-N 3.01Å
530	R	90.1	Very high	87.7	Confident	115 Å²	115	48.6 Å²	48.6	43%	0.434	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	151.6	175.8	-59.7	-175.3	-113.5	176.8	-2.8	111.1	P392 V437 S438 S532	P392-R530 HydrophobicContact CB-CG 4.45Å; P392-R530 HydrophobicContact CG-CG 3.75Å; V437-R530 HydrophobicContact CG1-CG 3.61Å; S438-R530 CarbonylContact O-C 3.6Å; S438-R530 WeakPolarHBondContact O-CA 3.16Å; R530-S532 PolarHBondContact O-N 2.93Å
531	I	84.4	Confident	87.2	Confident	84 Å²	84	45.7 Å²	45.7	43%	0.431	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-68.5	121.4	164.1	-57.6	179.9	0	0	0	107	S438 E440 G533	S438-I531 PolarHBondContact O-N 3.03Å; E440-I531 HydrophobicContact CB-CG1 3.89Å; I531-G533 PolarHBondContact O-N 3.34Å
532	S	62.7	Low	86.7	Confident	112 Å²	112	49.5 Å²	49.5	78%	0.783	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-65.2	116.2	171.5	-57.9	0	0	0	0	108.4	R530	R530-S532 PolarHBondContact O-N 2.93Å
533	G	46.8	Very low	85.8	Confident	150 Å²	150	54 Å²	54	100%	1.546	35%	0.347	S	S	*	.			trans	-82.4	0	174.4	0	0	0	0	0	112.5	I531	I531-G533 PolarHBondContact O-N 3.34Å

Retrieved 533 of 533 residues in 187 ms (Link to these results)

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