A0A3Q0KQD4_SCHMA Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A3Q0KQD4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 625 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.9	Very low	26.6	Very low	231 Å²	231	150.4 Å²	150.4	100%	1.138	74%	0.744	S	S	*	*				0	120.4	0	-66.6	169.7	-179.6	0	0	107.5
2	N	26.4	Very low	26.6	Very low	143 Å²	143	142.6 Å²	142.6	77%	0.765	71%	0.711	S	S	*	*			cis	-142.9	112	-5.3	-90.3	-23	0	0	0	110.2
3	R	23.4	Very low	26.9	Very low	222 Å²	222	133.6 Å²	133.6	84%	0.838	67%	0.667	S	S	*	*			trans	37.7	115.1	137.2	-68.4	176.7	171.8	178.2	-1.4	119
4	V	26.2	Very low	27.2	Very low	154 Å²	154	129.7 Å²	129.7	93%	0.933	65%	0.645	S	S	*	*				-133	131.2	130	-177	0	0	0	0	109.6
5	I	27.5	Very low	27.4	Very low	135 Å²	135	123.7 Å²	123.7	69%	0.692	62%	0.621	S	S	*	*			trans	-75.1	131	-161.5	-70.1	153.9	0	0	0	112	S7	I5-S7 PolarHBondContact O-N 3.05Å
6	L	24.7	Very low	28	Very low	154 Å²	154	117.1 Å²	117.1	81%	0.806	59%	0.59	S	S	*	*			trans	-65.9	110.9	158.7	-80	156.7	0	0	0	108.9
7	S	25.7	Very low	28.4	Very low	63 Å²	63	117.4 Å²	117.4	44%	0.441	58%	0.582	S	S	.	*			trans	-130.1	75.8	169.7	63.5	0	0	0	0	111.8	I5 H9	I5-S7 PolarHBondContact O-N 3.05Å; S7-H9 VanDerWaalsContact C-N 3.27Å; S7-H9 PolarHBondContact O-N 3.38Å
8	Q	27.8	Very low	28.7	Very low	187 Å²	187	117.8 Å²	117.8	87%	0.874	58%	0.582	S	S	*	*			trans	-78	85.4	150.1	-76.9	-169.9	-6.3	0	0	107.7	K10	Q8-K10 PolarHBondContact O-N 3.06Å
9	H	26.8	Very low	29.1	Very low	131 Å²	131	112.5 Å²	112.5	61%	0.606	56%	0.557	S	S	*	*			trans	-90.6	103	176.9	-89.7	44.8	0	0	0	111.7	S7	S7-H9 VanDerWaalsContact C-N 3.27Å; S7-H9 PolarHBondContact O-N 3.38Å
10	K	26.2	Very low	29.6	Very low	139 Å²	139	109.8 Å²	109.8	60%	0.604	54%	0.544	S	S	*	.				50.8	88.3	125.1	-65.6	171.1	177.8	164.9	0	116.7	Q8	Q8-K10 PolarHBondContact O-N 3.06Å
11	I	28.2	Very low	30.1	Very low	95 Å²	95	107.5 Å²	107.5	49%	0.487	54%	0.536	S	S	.	.			trans	-90.5	101.9	138.5	-61.4	179.7	0	0	0	106.3	S15 K483	I11-S15 VanDerWaalsContact CG2-OG 3.29Å; I11-S15 WeakPolarHBondContact CG2-OG 3.38Å; I11-K483 WeakPolarHBondContact O-CE 3.43Å
12	T	26.5	Very low	30.4	Very low	57 Å²	57	102.1 Å²	102.1	35%	0.35	51%	0.507	S	S	.	.			trans	-67.1	128.3	167.4	-36.8	0	0	0	0	108.1	H14 S15 D479 K483	T12-H14 HydrophobicContact CG2-CB 3.99Å; T12-H14 PolarHBondContact O-N 3.02Å; T12-S15 WeakPolarHBondContact O-CA 3.32Å; T12-S15 WeakPolarHBondContact O-CB 3.43Å; T12-S15 PolarHBondContact O-N 2.99Å; T12-S15 PolarHBondContact O-OG 3.2Å; T12-D479 VanDerWaalsContact CA-OD2 3.31Å; T12-D479 WeakPolarHBondContact CA-OD2 3.2Å; T12-K483 PolarHBondContact OG1-NZ 2.88Å
13	L	30.9	Very low	31.1	Very low	26 Å²	26	95.7 Å²	95.7	14%	0.136	47%	0.472	C	S	.	.	H	α-helix	trans	-61.4	-4.1	171.4	-90.6	155.4	0	0	0	113.3	A475 L478 D479	L13-A475 HydrophobicContact CB-CB 4.41Å; L13-A475 WeakPolarHBondContact CD1-O 3.25Å; L13-A475 HydrophobicContact CD2-CB 4.39Å; L13-L478 HydrophobicContact CD1-CB 4.34Å; L13-D479 HydrophobicContact CB-CB 3.78Å; L13-D479 HydrophobicContact CD1-CB 3.59Å; L13-D479 HydrophobicContact CG-CB 4.05Å; L13-D479 WeakPolarHBondContact CG-OD1 3.42Å; L13-D479 PolarHBondContact N-OD1 2.98Å; L13-D479 PolarHBondContact N-OD2 3.46Å; L13-D479 VanDerWaalsContact N-OD2 3.15Å
14	H	30.1	Very low	31.8	Very low	79 Å²	79	85.5 Å²	85.5	37%	0.366	44%	0.435	S	S	.	.	H	α-helix	trans	-68.7	-34.7	159.5	-88.3	41.1	0	0	0	113.8	T12 H18 Y472	T12-H14 HydrophobicContact CG2-CB 3.99Å; T12-H14 PolarHBondContact O-N 3.02Å; H14-H18 PolarHBondContact O-N 3.29Å; H14-Y472 AromaticContact CE1-CE2 2.97Å; H14-Y472 WeakPolarHBondContact CE1-CE2 3.33Å; H14-Y472 AromaticContact CE1-CZ 3.09Å; H14-Y472 PolarHBondContact CE1-OH 3.39Å; H14-Y472 AromaticContact ND1-CE2 3.86Å; H14-Y472 AromaticContact NE2-CE2 3.25Å; H14-Y472 WeakPolarHBondContact NE2-CE2 3.34Å; H14-Y472 AromaticContact NE2-CZ 3.32Å; H14-Y472 VanDerWaalsContact NE2-CZ 3.32Å; H14-Y472 PolarHBondContact NE2-OH 2.55Å
15	S	30.9	Very low	32.3	Very low	39 Å²	39	86.2 Å²	86.2	27%	0.273	42%	0.421	S	S	.	.	H	α-helix	trans	-64.2	-45.8	171.4	77.8	0	0	0	0	109.2	I11 T12 R17 H18 T19	I11-S15 VanDerWaalsContact CG2-OG 3.29Å; I11-S15 WeakPolarHBondContact CG2-OG 3.38Å; T12-S15 WeakPolarHBondContact O-CA 3.32Å; T12-S15 WeakPolarHBondContact O-CB 3.43Å; T12-S15 PolarHBondContact O-N 2.99Å; T12-S15 PolarHBondContact O-OG 3.2Å; S15-R17 VanDerWaalsContact C-N 3.26Å; S15-R17 CarbonylContact O-C 3.6Å; S15-R17 PolarHBondContact O-N 3.47Å; S15-H18 CarbonylContact O-C 3.53Å; S15-H18 VanDerWaalsContact O-C 3.31Å; S15-H18 VanDerWaalsContact O-CA 3.32Å; S15-H18 WeakPolarHBondContact O-CA 3.36Å; S15-H18 PolarHBondContact O-N 3.47Å; S15-T19 WeakPolarHBondContact O-CA 3.4Å; S15-T19 VanDerWaalsContact O-CB 3.25Å; S15-T19 WeakPolarHBondContact O-CB 3.24Å; S15-T19 PolarHBondContact O-N 2.84Å; S15-T19 PolarHBondContact O-OG1 3.2Å
16	S	36.4	Very low	32.9	Very low	18 Å²	18	80 Å²	80	13%	0.126	39%	0.389	C	S	.	.	H	α-helix	trans	-55.8	-33.4	-175.1	-44.8	0	0	0	0	114.9	L20	S16-L20 WeakPolarHBondContact O-CB 3.34Å; S16-L20 WeakPolarHBondContact O-CD1 3.41Å; S16-L20 WeakPolarHBondContact O-CG 3.39Å; S16-L20 PolarHBondContact O-N 3.34Å
17	R	35	Very low	33.7	Very low	123 Å²	123	74 Å²	74	46%	0.464	36%	0.356	S	S	.	.	H	α-helix	trans	-69.7	-49.3	169.1	-83	-174.8	175.3	178.1	0.6	111.6	S15 T19 T21	S15-R17 VanDerWaalsContact C-N 3.26Å; S15-R17 CarbonylContact O-C 3.6Å; S15-R17 PolarHBondContact O-N 3.47Å; R17-T19 VanDerWaalsContact C-N 3.27Å; R17-T19 PolarHBondContact O-N 3.01Å; R17-T21 WeakPolarHBondContact O-CB 3.45Å; R17-T21 PolarHBondContact O-N 3.27Å; R17-T21 PolarHBondContact O-OG1 3.11Å
18	H	34.6	Very low	34.3	Very low	124 Å²	124	75.6 Å²	75.6	57%	0.574	36%	0.356	S	S	*	.	H	α-helix	trans	-64.9	-28.2	174.4	-81	-69.1	0	0	0	113.5	H14 S15 K22	H14-H18 PolarHBondContact O-N 3.29Å; S15-H18 CarbonylContact O-C 3.53Å; S15-H18 VanDerWaalsContact O-C 3.31Å; S15-H18 VanDerWaalsContact O-CA 3.32Å; S15-H18 WeakPolarHBondContact O-CA 3.36Å; S15-H18 PolarHBondContact O-N 3.47Å; H18-K22 WeakPolarHBondContact O-CA 3.39Å; H18-K22 WeakPolarHBondContact O-CB 3.45Å; H18-K22 WeakPolarHBondContact O-CG 3.38Å; H18-K22 PolarHBondContact O-N 2.84Å
19	T	36.7	Very low	34.8	Very low	18 Å²	18	73.3 Å²	73.3	11%	0.11	34%	0.344	C	S	.	.	H	α-helix	trans	-80.9	-49.2	-177.4	-53.6	0	0	0	0	107.3	S15 R17 T21 K22 I23 S63	S15-T19 WeakPolarHBondContact O-CA 3.4Å; S15-T19 VanDerWaalsContact O-CB 3.25Å; S15-T19 WeakPolarHBondContact O-CB 3.24Å; S15-T19 PolarHBondContact O-N 2.84Å; S15-T19 PolarHBondContact O-OG1 3.2Å; R17-T19 VanDerWaalsContact C-N 3.27Å; R17-T19 PolarHBondContact O-N 3.01Å; T19-T21 VanDerWaalsContact C-N 3.32Å; T19-T21 PolarHBondContact O-N 3.31Å; T19-K22 PolarHBondContact O-N 3.39Å; T19-I23 HydrophobicContact CG2-CD1 3.57Å; T19-I23 HydrophobicContact CG2-CG1 4.22Å; T19-I23 WeakPolarHBondContact O-CA 3.5Å; T19-I23 WeakPolarHBondContact O-CB 3.37Å; T19-I23 WeakPolarHBondContact O-CD1 3.41Å; T19-I23 WeakPolarHBondContact O-CG1 3.41Å; T19-I23 PolarHBondContact O-N 3.27Å; T19-S63 WeakPolarHBondContact CG2-OG 3.49Å
20	L	37.9	Very low	34.9	Very low	57 Å²	57	71 Å²	71	30%	0.298	36%	0.355	S	S	.	.	H	α-helix	trans	-62.2	-38.1	171.1	-71.3	165.3	0	0	0	112.1	S16 S24 H236	S16-L20 WeakPolarHBondContact O-CB 3.34Å; S16-L20 WeakPolarHBondContact O-CD1 3.41Å; S16-L20 WeakPolarHBondContact O-CG 3.39Å; S16-L20 PolarHBondContact O-N 3.34Å; L20-S24 WeakPolarHBondContact O-CB 3.45Å; L20-S24 PolarHBondContact O-N 3.01Å; L20-S24 PolarHBondContact O-OG 3.5Å; L20-H236 VanDerWaalsContact CD2-CE1 3.45Å; L20-H236 WeakPolarHBondContact CD2-CE1 3.19Å
21	T	40.2	Very low	35.1	Very low	62 Å²	62	67.2 Å²	67.2	38%	0.38	36%	0.356	S	S	.	.	H	α-helix	trans	-76.9	-33.3	177.4	-40.6	0	0	0	0	112.4	R17 T19 S24 R25	R17-T21 WeakPolarHBondContact O-CB 3.45Å; R17-T21 PolarHBondContact O-N 3.27Å; R17-T21 PolarHBondContact O-OG1 3.11Å; T19-T21 VanDerWaalsContact C-N 3.32Å; T19-T21 PolarHBondContact O-N 3.31Å; T21-S24 PolarHBondContact O-OG 3.06Å; T21-R25 WeakPolarHBondContact O-CB 3.49Å; T21-R25 VanDerWaalsContact O-CG 3.28Å; T21-R25 WeakPolarHBondContact O-CG 3.47Å; T21-R25 PolarHBondContact O-N 3.08Å
22	K	37.2	Very low	35	Very low	119 Å²	119	70.4 Å²	70.4	52%	0.517	37%	0.374	S	S	.	.	H	α-helix	trans	-72.5	-41	173.2	-82	177.7	175.6	-163.4	0	110.5	H18 T19 R25 S26	H18-K22 WeakPolarHBondContact O-CA 3.39Å; H18-K22 WeakPolarHBondContact O-CB 3.45Å; H18-K22 WeakPolarHBondContact O-CG 3.38Å; H18-K22 PolarHBondContact O-N 2.84Å; T19-K22 PolarHBondContact O-N 3.39Å; K22-R25 PolarHBondContact O-N 3.45Å; K22-S26 VanDerWaalsContact O-CB 3.28Å; K22-S26 WeakPolarHBondContact O-CB 3.3Å; K22-S26 PolarHBondContact O-N 3.39Å; K22-S26 PolarHBondContact O-OG 3.18Å
23	I	39.4	Very low	35.1	Very low	7 Å²	7	71.4 Å²	71.4	4%	0.036	38%	0.384	C	S	.	.	H	α-helix	trans	-59.9	-49.1	171.4	-73.3	168.4	0	0	0	108.3	T19 R25 S26 Y27 L60 I64	T19-I23 HydrophobicContact CG2-CD1 3.57Å; T19-I23 HydrophobicContact CG2-CG1 4.22Å; T19-I23 WeakPolarHBondContact O-CA 3.5Å; T19-I23 WeakPolarHBondContact O-CB 3.37Å; T19-I23 WeakPolarHBondContact O-CD1 3.41Å; T19-I23 WeakPolarHBondContact O-CG1 3.41Å; T19-I23 PolarHBondContact O-N 3.27Å; I23-R25 PolarHBondContact O-N 2.91Å; I23-S26 WeakPolarHBondContact CA-OG 3.38Å; I23-S26 WeakPolarHBondContact O-CB 3.46Å; I23-S26 PolarHBondContact O-N 2.95Å; I23-S26 VanDerWaalsContact O-N 3.07Å; I23-S26 PolarHBondContact O-OG 3.38Å; I23-Y27 HydrophobicContact CG2-CD2 3.8Å; I23-Y27 HydrophobicContact CG2-CE2 3.23Å; I23-Y27 WeakPolarHBondContact O-CD2 3.47Å; I23-Y27 PolarHBondContact O-N 2.72Å; I23-L60 HydrophobicContact CG1-CD2 3.8Å; I23-I64 HydrophobicContact CD1-CD1 4.01Å; I23-I64 HydrophobicContact CD1-CG1 3.85Å; I23-I64 HydrophobicContact CG1-CD1 4.34Å
24	S	38.7	Very low	35.1	Very low	9 Å²	9	79.4 Å²	79.4	6%	0.063	42%	0.417	C	S	.	.	H	α-helix	trans	-65.8	-34.7	178.5	86.2	0	0	0	0	114.1	L20 T21 Y27 E261 K264	L20-S24 WeakPolarHBondContact O-CB 3.45Å; L20-S24 PolarHBondContact O-N 3.01Å; L20-S24 PolarHBondContact O-OG 3.5Å; T21-S24 PolarHBondContact O-OG 3.06Å; S24-Y27 PolarHBondContact O-N 3.25Å; S24-E261 WeakPolarHBondContact CB-OE2 3.46Å; S24-E261 PolarHBondContact OG-OE1 2.81Å; S24-E261 VanDerWaalsContact OG-OE1 3.06Å; S24-E261 PolarHBondContact OG-OE2 2.84Å; S24-K264 PolarHBondContact OG-NZ 3.44Å
25	R	36.8	Very low	35.1	Very low	169 Å²	169	82.6 Å²	82.6	64%	0.638	44%	0.437	S	S	*	.	H	α-helix	trans	-69.3	-34.7	169.9	-78.7	179	179.6	-177.7	-0.6	112.3	T21 K22 I23 Y27 Q28	T21-R25 WeakPolarHBondContact O-CB 3.49Å; T21-R25 VanDerWaalsContact O-CG 3.28Å; T21-R25 WeakPolarHBondContact O-CG 3.47Å; T21-R25 PolarHBondContact O-N 3.08Å; K22-R25 PolarHBondContact O-N 3.45Å; I23-R25 PolarHBondContact O-N 2.91Å; R25-Y27 PolarHBondContact O-N 3.24Å; R25-Q28 WeakPolarHBondContact O-CB 3.41Å; R25-Q28 PolarHBondContact O-N 2.78Å; R25-Q28 VanDerWaalsContact O-N 3.09Å
26	S	40.4	Very low	35.1	Very low	3 Å²	3	85.1 Å²	85.1	2%	0.021	45%	0.454	C	S	.	.	H	α-helix	trans	-69.4	-24.9	176.9	77.8	0	0	0	0	112.4	K22 I23 Q28 R54 L60	K22-S26 VanDerWaalsContact O-CB 3.28Å; K22-S26 WeakPolarHBondContact O-CB 3.3Å; K22-S26 PolarHBondContact O-N 3.39Å; K22-S26 PolarHBondContact O-OG 3.18Å; I23-S26 WeakPolarHBondContact CA-OG 3.38Å; I23-S26 WeakPolarHBondContact O-CB 3.46Å; I23-S26 PolarHBondContact O-N 2.95Å; I23-S26 VanDerWaalsContact O-N 3.07Å; I23-S26 PolarHBondContact O-OG 3.38Å; S26-Q28 VanDerWaalsContact C-N 3.26Å; S26-Q28 PolarHBondContact O-N 3.33Å; S26-R54 PolarHBondContact O-NH2 3.06Å; S26-L60 WeakPolarHBondContact OG-CD1 3.49Å
27	Y	41	Very low	35	Very low	30 Å²	30	88.2 Å²	88.2	12%	0.118	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-5.1	171.1	-71.3	-66.9	0	0	0	113.9	I23 S24 R25 F29 R245	I23-Y27 HydrophobicContact CG2-CD2 3.8Å; I23-Y27 HydrophobicContact CG2-CE2 3.23Å; I23-Y27 WeakPolarHBondContact O-CD2 3.47Å; I23-Y27 PolarHBondContact O-N 2.72Å; S24-Y27 PolarHBondContact O-N 3.25Å; R25-Y27 PolarHBondContact O-N 3.24Å; Y27-F29 PolarHBondContact O-N 2.82Å; Y27-R245 HydrophobicContact CG-CG 4.48Å
28	Q	39	Very low	35.2	Very low	95 Å²	95	91.6 Å²	91.6	44%	0.444	51%	0.508	S	S	.	.	S	Bend	trans	-75.3	122.1	172.3	-67	-178.4	-43.8	0	0	109.2	R25 S26 G30 K264	R25-Q28 WeakPolarHBondContact O-CB 3.41Å; R25-Q28 PolarHBondContact O-N 2.78Å; R25-Q28 VanDerWaalsContact O-N 3.09Å; S26-Q28 VanDerWaalsContact C-N 3.26Å; S26-Q28 PolarHBondContact O-N 3.33Å; Q28-G30 VanDerWaalsContact C-N 3.32Å; Q28-G30 PolarHBondContact O-N 3.48Å; Q28-K264 HydrophobicContact CG-CD 4.35Å
29	F	38	Very low	36.6	Very low	140 Å²	140	91.5 Å²	91.5	61%	0.614	52%	0.521	S	S	*	.			trans	-61.4	97.4	164.3	-84.4	-89.3	0	0	0	108.4	Y27 G31 I45	Y27-F29 PolarHBondContact O-N 2.82Å; F29-G31 PolarHBondContact O-N 2.8Å; F29-I45 HydrophobicContact CE2-CD1 3.64Å; F29-I45 HydrophobicContact CZ-CD1 3.81Å
30	G	29.6	Very low	38.5	Very low	82 Å²	82	95.1 Å²	95.1	85%	0.845	54%	0.537	S	S	*	.			trans	-76.5	62	162.6	0	0	0	0	0	109.5	Q28 N32	Q28-G30 VanDerWaalsContact C-N 3.32Å; Q28-G30 PolarHBondContact O-N 3.48Å; G30-N32 PolarHBondContact O-N 2.96Å
31	G	28.8	Very low	40.8	Very low	60 Å²	60	94.1 Å²	94.1	62%	0.619	53%	0.533	S	S	*	.			trans	-89.4	83.9	169.6	0	0	0	0	0	108.9	F29 S33	F29-G31 PolarHBondContact O-N 2.8Å; G31-S33 PolarHBondContact O-N 3.11Å
32	N	26.3	Very low	43.1	Very low	161 Å²	161	93.6 Å²	93.6	86%	0.861	53%	0.531	S	S	*	.			trans	-68.6	71	153.7	-93.3	-14.6	0	0	0	107.6	G30	G30-N32 PolarHBondContact O-N 2.96Å
33	S	29.9	Very low	45.6	Very low	79 Å²	79	88.5 Å²	88.5	55%	0.552	51%	0.512	S	S	*	.			trans	-107	90	152.9	-176.4	0	0	0	0	106	G31 N35	G31-S33 PolarHBondContact O-N 3.11Å; S33-N35 PolarHBondContact O-N 2.96Å
34	K	30.8	Very low	48.1	Very low	193 Å²	193	89.6 Å²	89.6	84%	0.839	52%	0.516	S	S	*	.			trans	-73	7.8	169.6	-82	-172.4	173.4	-177.4	0	112.6
35	N	29	Very low	50.6	Low	147 Å²	147	89.5 Å²	89.5	79%	0.786	52%	0.515	S	S	*	.	S	Bend	trans	-132	68.7	-175.2	-76.5	-5.8	0	0	0	112.2	S33	S33-N35 PolarHBondContact O-N 2.96Å
36	S	32.2	Very low	53.1	Low	91 Å²	91	81.9 Å²	81.9	64%	0.636	49%	0.487	S	S	*	.	S	Bend	trans	176.5	121.7	151.1	55	0	0	0	0	108.7	F38	S36-F38 PolarHBondContact O-N 3.29Å
37	G	33.1	Very low	55.4	Low	83 Å²	83	84.4 Å²	84.4	86%	0.856	50%	0.504	S	S	*	.	S	Bend	trans	-67.7	31.2	-165.6	0	0	0	0	0	119.2
38	F	39.7	Very low	57.4	Low	195 Å²	195	88.9 Å²	88.9	86%	0.855	53%	0.525	S	S	*	.			trans	-130.3	96.2	175.8	-86.7	-89.9	0	0	0	111.2	S36	S36-F38 PolarHBondContact O-N 3.29Å
39	S	63.1	Low	59.8	Low	121 Å²	121	86.5 Å²	86.5	85%	0.846	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-80.3	116.5	165.3	-178.7	0	0	0	0	108.6
40	Q	76.9	Confident	62.3	Low	95 Å²	95	80 Å²	80	44%	0.444	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-60.5	143.8	174.2	-71.1	177.9	0.3	0	0	110.8	Y44	Q40-Y44 HydrophobicContact CB-CD1 3.92Å; Q40-Y44 HydrophobicContact CG-CD1 3.83Å; Q40-Y44 HydrophobicContact CG-CE1 4.09Å
41	P	87.2	Confident	64.9	Low	35 Å²	35	80.8 Å²	80.8	23%	0.227	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-67.7	149.8	-179.9	25.7	-30.2	0	0	0	110.7	G43 Y44 L206 L207	P41-G43 PolarHBondContact O-N 3.15Å; P41-Y44 WeakPolarHBondContact O-CB 3.33Å; P41-Y44 PolarHBondContact O-N 3.48Å; P41-L206 HydrophobicContact CG-CB 4.36Å; P41-L206 VanDerWaalsContact CG-O 3.25Å; P41-L206 WeakPolarHBondContact CG-O 3.03Å; P41-L207 HydrophobicContact CG-CD2 4.2Å
42	P	88.2	Confident	67.8	Low	51 Å²	51	84.3 Å²	84.3	33%	0.331	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	130.1	-179.8	-23.8	32.9	0	0	0	112.6	Y44 L212 Q214 N263	P42-Y44 VanDerWaalsContact C-N 3.33Å; P42-L212 HydrophobicContact CG-CD2 4.25Å; P42-Q214 PolarHBondContact O-NE2 2.99Å; P42-N263 WeakPolarHBondContact CB-O 2.9Å; P42-N263 WeakPolarHBondContact CG-O 3.33Å
43	G	89.2	Confident	70.8	Confident	12 Å²	12	81 Å²	81	12%	0.124	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	90	-17.1	-177.3	0	0	0	0	0	114.6	P41 I45 H267	P41-G43 PolarHBondContact O-N 3.15Å; G43-I45 PolarHBondContact O-N 2.83Å; G43-H267 PolarHBondContact O-CE1 3.34Å; G43-H267 PolarHBondContact O-NE2 3.31Å
44	Y	93.4	Very high	73.6	Confident	31 Å²	31	79.6 Å²	79.6	12%	0.122	43%	0.432	C	S	.	.			trans	-69.9	132.6	174.8	173.9	-99.5	0	0	0	111.1	Q40 P41 P42 P46 M203 L207	Q40-Y44 HydrophobicContact CB-CD1 3.92Å; Q40-Y44 HydrophobicContact CG-CD1 3.83Å; Q40-Y44 HydrophobicContact CG-CE1 4.09Å; P41-Y44 WeakPolarHBondContact O-CB 3.33Å; P41-Y44 PolarHBondContact O-N 3.48Å; P42-Y44 VanDerWaalsContact C-N 3.33Å; Y44-P46 HydrophobicContact CE1-CG 3.7Å; Y44-M203 HydrophobicContact CD2-CB 4.04Å; Y44-M203 HydrophobicContact CD2-SD 4.25Å; Y44-M203 HydrophobicContact CE2-CB 4.16Å; Y44-L207 HydrophobicContact CD1-CD2 3.92Å; Y44-L207 HydrophobicContact CD2-CD1 3.99Å; Y44-L207 HydrophobicContact CD2-CD2 3.82Å; Y44-L207 HydrophobicContact CD2-CG 3.55Å; Y44-L207 HydrophobicContact CE1-CD2 3.86Å; Y44-L207 HydrophobicContact CE1-CG 4.45Å; Y44-L207 HydrophobicContact CE2-CD1 3.35Å; Y44-L207 HydrophobicContact CE2-CD2 3.82Å; Y44-L207 HydrophobicContact CE2-CG 3.47Å; Y44-L207 VanDerWaalsContact CE2-CG 3.47Å; Y44-L207 HydrophobicContact CG-CD2 3.87Å; Y44-L207 HydrophobicContact CG-CG 4.11Å
45	I	91.2	Very high	76.2	Confident	7 Å²	7	75.6 Å²	75.6	4%	0.036	43%	0.426	C	S	.	.			trans	-134.5	119.6	175.1	-56.5	-67.3	0	0	0	107.6	F29 G43 I49 W50 Y198 M203 F243	F29-I45 HydrophobicContact CE2-CD1 3.64Å; F29-I45 HydrophobicContact CZ-CD1 3.81Å; G43-I45 PolarHBondContact O-N 2.83Å; I45-I49 HydrophobicContact CG2-CB 4.02Å; I45-I49 HydrophobicContact CG2-CG2 3.9Å; I45-W50 HydrophobicContact CB-CE3 3.99Å; I45-W50 HydrophobicContact CG1-CE3 4.39Å; I45-W50 HydrophobicContact CG2-CB 4.13Å; I45-W50 HydrophobicContact CG2-CE3 4.09Å; I45-Y198 WeakPolarHBondContact O-CE2 3.28Å; I45-Y198 PolarHBondContact O-OH 3.12Å; I45-M203 HydrophobicContact CB-CE 4.25Å; I45-F243 HydrophobicContact CD1-CB 4.22Å; I45-F243 HydrophobicContact CD1-CD1 4.13Å; I45-F243 HydrophobicContact CG1-CB 4.13Å; I45-F243 HydrophobicContact CG2-CB 3.96Å; I45-F243 HydrophobicContact CG2-CD1 4.49Å; I45-F243 HydrophobicContact CG2-CG 4.15Å
46	P	88.5	Confident	78.4	Confident	8 Å²	8	70.4 Å²	70.4	5%	0.052	41%	0.407	C	S	.	.			trans	-57	150	176.5	-25	31.4	0	0	0	113.6	Y44 H48 I49 W50	Y44-P46 HydrophobicContact CE1-CG 3.7Å; P46-H48 VanDerWaalsContact C-N 3.34Å; P46-H48 VanDerWaalsContact CB-CE1 3.44Å; P46-H48 WeakPolarHBondContact CB-CE1 3.44Å; P46-H48 PolarHBondContact O-N 3.28Å; P46-I49 HydrophobicContact CB-CD1 4.43Å; P46-I49 HydrophobicContact CB-CG1 4.29Å; P46-I49 HydrophobicContact CG-CD1 4.01Å; P46-I49 HydrophobicContact CG-CG1 4.41Å; P46-I49 PolarHBondContact O-N 2.92Å; P46-W50 PolarHBondContact O-N 2.99Å
47	P	87.4	Confident	80.7	Confident	57 Å²	57	72.7 Å²	72.7	37%	0.37	40%	0.402	S	S	.	.	H	α-helix	trans	-55	-44.5	-177.9	-20.1	25.7	0	0	0	113.8	I49 W50 M51 Y198	P47-I49 PolarHBondContact O-N 3.17Å; P47-W50 PolarHBondContact O-N 3.16Å; P47-M51 PolarHBondContact O-N 3.2Å; P47-Y198 HydrophobicContact CB-CD1 4.21Å; P47-Y198 HydrophobicContact CB-CD2 4.26Å; P47-Y198 HydrophobicContact CB-CE1 4.17Å; P47-Y198 HydrophobicContact CB-CE2 4.22Å; P47-Y198 HydrophobicContact CB-CG 4.24Å; P47-Y198 WeakPolarHBondContact CD-OH 3.46Å; P47-Y198 HydrophobicContact CG-CD1 4.06Å; P47-Y198 HydrophobicContact CG-CE1 3.59Å; P47-Y198 HydrophobicContact CG-CE2 4.19Å
48	H	85	Confident	82.6	Confident	123 Å²	123	75 Å²	75	57%	0.569	39%	0.39	S	S	*	.	H	α-helix	trans	-68.1	-17.3	-179.6	67.5	-92.7	0	0	0	113.7	P46 K52	P46-H48 VanDerWaalsContact C-N 3.34Å; P46-H48 VanDerWaalsContact CB-CE1 3.44Å; P46-H48 WeakPolarHBondContact CB-CE1 3.44Å; P46-H48 PolarHBondContact O-N 3.28Å; H48-K52 WeakPolarHBondContact O-CD 3.19Å; H48-K52 WeakPolarHBondContact O-CE 3.21Å; H48-K52 WeakPolarHBondContact O-CG 3.28Å
49	I	88.9	Confident	84.3	Confident	45 Å²	45	73 Å²	73	23%	0.231	38%	0.383	C	S	.	.	H	α-helix	trans	-90.7	-42.9	173.6	-61.1	-173.7	0	0	0	109.8	I45 P46 P47 M51 K52 F243	I45-I49 HydrophobicContact CG2-CB 4.02Å; I45-I49 HydrophobicContact CG2-CG2 3.9Å; P46-I49 HydrophobicContact CB-CD1 4.43Å; P46-I49 HydrophobicContact CB-CG1 4.29Å; P46-I49 HydrophobicContact CG-CD1 4.01Å; P46-I49 HydrophobicContact CG-CG1 4.41Å; P46-I49 PolarHBondContact O-N 2.92Å; P47-I49 PolarHBondContact O-N 3.17Å; I49-M51 PolarHBondContact O-N 3.11Å; I49-K52 WeakPolarHBondContact O-CB 3.49Å; I49-K52 PolarHBondContact O-N 2.89Å; I49-F243 HydrophobicContact CG2-CD1 4.08Å; I49-F243 HydrophobicContact CG2-CD2 3.96Å; I49-F243 HydrophobicContact CG2-CE1 3.69Å; I49-F243 HydrophobicContact CG2-CE2 3.57Å; I49-F243 HydrophobicContact CG2-CG 4.21Å; I49-F243 HydrophobicContact CG2-CZ 3.41Å; I49-F243 VanDerWaalsContact CG2-CZ 3.41Å; I49-F243 WeakPolarHBondContact O-CD2 3.21Å; I49-F243 WeakPolarHBondContact O-CE2 3.46Å
50	W	89.1	Confident	84.9	Confident	3 Å²	3	68.3 Å²	68.3	1%	0.011	35%	0.349	C	S	.	.	H	α-helix	trans	-51.7	-42.2	-179.5	-176.4	-90.8	0	0	0	113	I45 P46 P47 K52 L194 Y198 P199 M203 V244 H267	I45-W50 HydrophobicContact CB-CE3 3.99Å; I45-W50 HydrophobicContact CG1-CE3 4.39Å; I45-W50 HydrophobicContact CG2-CB 4.13Å; I45-W50 HydrophobicContact CG2-CE3 4.09Å; P46-W50 PolarHBondContact O-N 2.99Å; P47-W50 PolarHBondContact O-N 3.16Å; W50-K52 VanDerWaalsContact C-N 3.33Å; W50-K52 PolarHBondContact O-N 3.11Å; W50-L194 HydrophobicContact CH2-CD1 4.17Å; W50-L194 HydrophobicContact CH2-CG 4.37Å; W50-L194 HydrophobicContact CZ2-CD1 3.78Å; W50-L194 HydrophobicContact CZ2-CG 3.9Å; W50-L194 WeakPolarHBondContact CZ2-O 3.38Å; W50-L194 PolarHBondContact NE1-O 3.49Å; W50-Y198 HydrophobicContact CB-CD2 3.7Å; W50-Y198 HydrophobicContact CB-CE2 3.94Å; W50-Y198 AromaticContact CD1-CD2 3.96Å; W50-Y198 HydrophobicContact CD2-CD2 4.05Å; W50-Y198 HydrophobicContact CD2-CE2 4.41Å; W50-Y198 AromaticContact CG-CD2 3.63Å; W50-Y198 HydrophobicContact CG-CD2 3.63Å; W50-Y198 HydrophobicContact CG-CE2 4.17Å; W50-P199 HydrophobicContact CH2-CG 3.91Å; W50-P199 HydrophobicContact CZ2-CG 3.99Å; W50-P199 HydrophobicContact CZ3-CG 4.41Å; W50-M203 HydrophobicContact CE3-CE 3.68Å; W50-M203 HydrophobicContact CH2-CE 4.05Å; W50-M203 HydrophobicContact CZ3-CE 3.31Å; W50-V244 HydrophobicContact CH2-CG2 3.73Å; W50-V244 HydrophobicContact CZ2-CG2 3.8Å; W50-V244 HydrophobicContact CZ3-CG2 4.43Å; W50-H267 AromaticContact CZ3-CD2 3.86Å; W50-H267 AromaticContact CZ3-NE2 3.81Å
51	M	85.9	Confident	84.8	Confident	100 Å²	100	68.4 Å²	68.4	49%	0.493	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-21.7	-177.7	-59.9	-59.3	-84.7	0	0	113.2	P47 I49 K114	P47-M51 PolarHBondContact O-N 3.2Å; I49-M51 PolarHBondContact O-N 3.11Å; M51-K114 PolarHBondContact O-NZ 2.88Å
52	K	88.5	Confident	84.2	Confident	134 Å²	134	70.1 Å²	70.1	58%	0.583	36%	0.358	S	S	*	.	S	Bend	trans	-77	149.1	-177	-71.4	-179.6	-179	-175.3	0	111.8	H48 I49 W50 R54	H48-K52 WeakPolarHBondContact O-CD 3.19Å; H48-K52 WeakPolarHBondContact O-CE 3.21Å; H48-K52 WeakPolarHBondContact O-CG 3.28Å; I49-K52 WeakPolarHBondContact O-CB 3.49Å; I49-K52 PolarHBondContact O-N 2.89Å; W50-K52 VanDerWaalsContact C-N 3.33Å; W50-K52 PolarHBondContact O-N 3.11Å; K52-R54 PolarHBondContact O-N 3.48Å
53	L	89.6	Confident	83.5	Confident	90 Å²	90	69.6 Å²	69.6	47%	0.471	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-67.1	124.1	167.5	-173.5	73.9	0	0	0	109	K114 Q241	L53-K114 HydrophobicContact CD1-CB 4.34Å; L53-K114 HydrophobicContact CD1-CD 4.15Å; L53-K114 HydrophobicContact CD1-CG 3.77Å; L53-Q241 HydrophobicContact CD1-CB 3.6Å; L53-Q241 HydrophobicContact CG-CB 4.2Å
54	R	89.3	Confident	82.8	Confident	50 Å²	50	70 Å²	70	19%	0.189	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-73.6	136.7	175.4	-175	-179.3	-178	-159.8	-0.5	109.3	S26 K52 G56 Q241 T242 F243	S26-R54 PolarHBondContact O-NH2 3.06Å; K52-R54 PolarHBondContact O-N 3.48Å; R54-G56 PolarHBondContact O-N 3.36Å; R54-Q241 WeakPolarHBondContact CB-O 3.46Å; R54-Q241 PolarHBondContact N-O 2.79Å; R54-Q241 WeakPolarHBondContact O-CB 3.29Å; R54-Q241 WeakPolarHBondContact O-CG 3.39Å; R54-T242 WeakPolarHBondContact CD-O 3.49Å; R54-F243 HydrophobicContact CB-CD2 4.36Å; R54-F243 HydrophobicContact CB-CE1 4.37Å; R54-F243 HydrophobicContact CB-CE2 3.86Å; R54-F243 HydrophobicContact CB-CZ 3.87Å; R54-F243 HydrophobicContact CG-CE1 4.01Å; R54-F243 HydrophobicContact CG-CE2 4.37Å; R54-F243 HydrophobicContact CG-CZ 3.88Å
55	P	84.9	Confident	82	Confident	110 Å²	110	70.4 Å²	70.4	71%	0.714	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-52.3	130.4	176.3	-27.4	34.6	0	0	0	111.9
56	G	75.9	Confident	80.8	Confident	38 Å²	38	71.3 Å²	71.3	39%	0.392	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-69.3	153.5	179.1	0	0	0	0	0	112.3	R54 Q241	R54-G56 PolarHBondContact O-N 3.36Å; G56-Q241 VanDerWaalsContact CA-NE2 3.3Å
57	R	79.2	Confident	79	Confident	138 Å²	138	76.6 Å²	76.6	52%	0.521	40%	0.4	S	S	.	.			trans	-121	117.3	163.4	-64.3	-174.9	178.5	-178.2	0.1	107.7	E59 L60 K61	R57-E59 PolarHBondContact O-N 2.78Å; R57-L60 HydrophobicContact CB-CB 4.19Å; R57-L60 HydrophobicContact CB-CD1 3.96Å; R57-L60 HydrophobicContact CB-CG 4Å; R57-L60 HydrophobicContact CG-CD1 4.3Å; R57-L60 WeakPolarHBondContact O-CB 2.99Å; R57-L60 PolarHBondContact O-N 3.39Å; R57-K61 PolarHBondContact O-N 3Å
58	E	74.4	Confident	77	Confident	131 Å²	131	79.1 Å²	79.1	61%	0.612	41%	0.41	S	S	*	.	H	α-helix	trans	-57.5	-36.3	-178.1	-70.6	-56.1	139.7	0	0	112.6	L60 K61 T62	E58-L60 VanDerWaalsContact C-N 3.29Å; E58-L60 PolarHBondContact O-N 3.06Å; E58-K61 PolarHBondContact O-N 3.01Å; E58-T62 PolarHBondContact O-N 3.01Å; E58-T62 PolarHBondContact O-OG1 3.18Å
59	E	75.1	Confident	75.1	Confident	153 Å²	153	81.7 Å²	81.7	72%	0.715	42%	0.423	S	S	*	.	H	α-helix	trans	-57.9	-41	173.9	-64.3	-178	-167.1	0	0	112.6	R57 S63	R57-E59 PolarHBondContact O-N 2.78Å; E59-S63 WeakPolarHBondContact O-CB 3.36Å; E59-S63 PolarHBondContact O-N 3.38Å; E59-S63 PolarHBondContact O-OG 3Å
60	L	75.3	Confident	73	Confident	24 Å²	24	86.5 Å²	86.5	13%	0.126	44%	0.442	C	S	.	.	H	α-helix	trans	-72.6	-44.1	178.9	-69	178.3	0	0	0	110.5	I23 S26 R57 E58 T62 S63 I64	I23-L60 HydrophobicContact CG1-CD2 3.8Å; S26-L60 WeakPolarHBondContact OG-CD1 3.49Å; R57-L60 HydrophobicContact CB-CB 4.19Å; R57-L60 HydrophobicContact CB-CD1 3.96Å; R57-L60 HydrophobicContact CB-CG 4Å; R57-L60 HydrophobicContact CG-CD1 4.3Å; R57-L60 WeakPolarHBondContact O-CB 2.99Å; R57-L60 PolarHBondContact O-N 3.39Å; E58-L60 VanDerWaalsContact C-N 3.29Å; E58-L60 PolarHBondContact O-N 3.06Å; L60-T62 VanDerWaalsContact C-N 3.34Å; L60-T62 PolarHBondContact O-N 3.29Å; L60-S63 WeakPolarHBondContact CA-OG 3.19Å; L60-S63 PolarHBondContact O-N 3.17Å; L60-S63 VanDerWaalsContact O-N 3.08Å; L60-S63 PolarHBondContact O-OG 2.9Å; L60-I64 HydrophobicContact CB-CD1 4.22Å; L60-I64 WeakPolarHBondContact O-CB 3.22Å; L60-I64 WeakPolarHBondContact O-CD1 3.2Å; L60-I64 WeakPolarHBondContact O-CG1 3.44Å; L60-I64 PolarHBondContact O-N 3.18Å
61	K	75.2	Confident	70.7	Confident	96 Å²	96	95 Å²	95	42%	0.417	48%	0.479	S	S	.	.	H	α-helix	trans	-55.3	-50.4	179	-167.1	-179.4	179.2	-174.4	0	110.8	R57 E58 S63 I64 F65	R57-K61 PolarHBondContact O-N 3Å; E58-K61 PolarHBondContact O-N 3.01Å; K61-S63 VanDerWaalsContact C-N 3.29Å; K61-S63 PolarHBondContact O-N 3.05Å; K61-I64 PolarHBondContact O-N 3.48Å; K61-F65 HydrophobicContact CG-CD2 3.73Å; K61-F65 HydrophobicContact CG-CE2 4.09Å; K61-F65 WeakPolarHBondContact O-CD2 3.24Å; K61-F65 PolarHBondContact O-N 3.31Å
62	T	74.1	Confident	68.5	Low	71 Å²	71	93.3 Å²	93.3	44%	0.436	48%	0.476	S	S	.	.	H	α-helix	trans	-60.7	-39.3	177.5	-47	0	0	0	0	111.9	E58 L60 I64 G66 V67	E58-T62 PolarHBondContact O-N 3.01Å; E58-T62 PolarHBondContact O-OG1 3.18Å; L60-T62 VanDerWaalsContact C-N 3.34Å; L60-T62 PolarHBondContact O-N 3.29Å; T62-I64 VanDerWaalsContact C-N 3.35Å; T62-I64 PolarHBondContact O-N 3.48Å; T62-G66 WeakPolarHBondContact O-CA 3.39Å; T62-G66 PolarHBondContact O-N 3.21Å; T62-G66 VanDerWaalsContact O-N 3.12Å; T62-V67 HydrophobicContact CG2-CG2 3.89Å
63	S	72.7	Confident	66.4	Low	41 Å²	41	89.9 Å²	89.9	29%	0.287	47%	0.466	S	S	.	.	H	α-helix	trans	-72.8	-25.4	-179.8	76.4	0	0	0	0	114.5	T19 E59 L60 K61	T19-S63 WeakPolarHBondContact CG2-OG 3.49Å; E59-S63 WeakPolarHBondContact O-CB 3.36Å; E59-S63 PolarHBondContact O-N 3.38Å; E59-S63 PolarHBondContact O-OG 3Å; L60-S63 WeakPolarHBondContact CA-OG 3.19Å; L60-S63 PolarHBondContact O-N 3.17Å; L60-S63 VanDerWaalsContact O-N 3.08Å; L60-S63 PolarHBondContact O-OG 2.9Å; K61-S63 VanDerWaalsContact C-N 3.29Å; K61-S63 PolarHBondContact O-N 3.05Å
64	I	76	Confident	64.1	Low	20 Å²	20	91.6 Å²	91.6	10%	0.103	48%	0.48	C	S	.	.	H	α-helix	trans	-94.8	-46	-172.9	-72.1	169.2	0	0	0	111	I23 L60 K61 T62 K237	I23-I64 HydrophobicContact CD1-CD1 4.01Å; I23-I64 HydrophobicContact CD1-CG1 3.85Å; I23-I64 HydrophobicContact CG1-CD1 4.34Å; L60-I64 HydrophobicContact CB-CD1 4.22Å; L60-I64 WeakPolarHBondContact O-CB 3.22Å; L60-I64 WeakPolarHBondContact O-CD1 3.2Å; L60-I64 WeakPolarHBondContact O-CG1 3.44Å; L60-I64 PolarHBondContact O-N 3.18Å; K61-I64 PolarHBondContact O-N 3.48Å; T62-I64 VanDerWaalsContact C-N 3.35Å; T62-I64 PolarHBondContact O-N 3.48Å; I64-K237 HydrophobicContact CG2-CB 3.94Å; I64-K237 HydrophobicContact CG2-CG 3.49Å; I64-K237 VanDerWaalsContact CG2-CG 3.49Å
65	F	76.7	Confident	61.9	Low	40 Å²	40	92.3 Å²	92.3	18%	0.175	49%	0.487	C	S	.	.	H	α-helix	trans	-92.7	-19.4	-177.3	-61.1	-76.8	0	0	0	113.1	K61 N118 A121 M122 K237 N240	K61-F65 HydrophobicContact CG-CD2 3.73Å; K61-F65 HydrophobicContact CG-CE2 4.09Å; K61-F65 WeakPolarHBondContact O-CD2 3.24Å; K61-F65 PolarHBondContact O-N 3.31Å; F65-N118 HydrophobicContact CZ-CB 4.4Å; F65-A121 HydrophobicContact CD1-CB 3.91Å; F65-A121 HydrophobicContact CE1-CB 3.77Å; F65-A121 HydrophobicContact CE2-CB 4.45Å; F65-A121 HydrophobicContact CG-CB 4.32Å; F65-A121 HydrophobicContact CZ-CB 4.06Å; F65-M122 HydrophobicContact CD1-CG 3.95Å; F65-M122 HydrophobicContact CE1-CG 3.76Å; F65-K237 HydrophobicContact CD1-CB 4.44Å; F65-K237 HydrophobicContact CD1-CG 4.45Å; F65-K237 HydrophobicContact CE1-CB 3.89Å; F65-K237 HydrophobicContact CE1-CG 4.37Å; F65-K237 HydrophobicContact CZ-CB 4.43Å; F65-N240 HydrophobicContact CE2-CB 3.95Å; F65-N240 HydrophobicContact CZ-CB 3.88Å
66	G	66	Low	60.2	Low	26 Å²	26	90.3 Å²	90.3	27%	0.268	47%	0.468	S	S	.	.			trans	85.2	177.4	-170.4	0	0	0	0	0	112	T62	T62-G66 WeakPolarHBondContact O-CA 3.39Å; T62-G66 PolarHBondContact O-N 3.21Å; T62-G66 VanDerWaalsContact O-N 3.12Å
67	V	49.7	Very low	59	Low	118 Å²	118	94.4 Å²	94.4	72%	0.715	48%	0.476	S	S	*	.	S	Bend	trans	-87.8	-18.4	-174.5	-178	0	0	0	0	112.5	T62	T62-V67 HydrophobicContact CG2-CG2 3.89Å
68	D	45.5	Very low	57.4	Low	110 Å²	110	90 Å²	90	59%	0.588	47%	0.466	S	S	*	.	S	Bend	trans	-128.1	134	-170	-62.7	-47.6	0	0	0	112.3	K70	D68-K70 PolarHBondContact O-N 2.67Å; D68-K70 VanDerWaalsContact O-N 3.17Å
69	E	45.4	Very low	56.5	Low	177 Å²	177	86 Å²	86	83%	0.827	45%	0.446	S	S	*	.			trans	-56.4	116.2	164	-73.9	-176.4	165.3	0	0	109.2	K71	E69-K71 PolarHBondContact O-N 3Å
70	K	45.6	Very low	55.5	Low	147 Å²	147	80.4 Å²	80.4	64%	0.639	42%	0.42	S	S	*	.			trans	-70.8	101	179.4	-152.2	-169.3	-179	-136	0	108.5	D68 E76	D68-K70 PolarHBondContact O-N 2.67Å; D68-K70 VanDerWaalsContact O-N 3.17Å; K70-E76 IonicContact NZ-OE1 3.21Å; K70-E76 PolarHBondContact NZ-OE1 3.47Å
71	K	39.6	Very low	54.2	Low	181 Å²	181	83.6 Å²	83.6	79%	0.787	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-66.5	132.4	168.5	-73.5	-175.5	179.3	179.1	0	109	E69 T73	E69-K71 PolarHBondContact O-N 3Å; K71-T73 PolarHBondContact O-N 3.42Å
72	P	40.9	Very low	53.1	Low	65 Å²	65	84.7 Å²	84.7	42%	0.422	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-62.2	135.2	179.2	23	-31	0	0	0	110.2	E76 K77	P72-E76 VanDerWaalsContact CA-OE2 3.24Å; P72-E76 WeakPolarHBondContact CA-OE2 3.47Å; P72-E76 HydrophobicContact CB-CB 4.34Å; P72-K77 HydrophobicContact CB-CG 4.44Å
73	T	43	Very low	51.8	Low	61 Å²	61	84.9 Å²	84.9	37%	0.374	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-69.7	159.4	174.4	59.4	0	0	0	0	110.3	K71 D75 E76 K77	K71-T73 PolarHBondContact O-N 3.42Å; T73-D75 PolarHBondContact O-N 2.99Å; T73-E76 PolarHBondContact N-OE2 2.88Å; T73-E76 PolarHBondContact O-N 3.45Å; T73-E76 WeakPolarHBondContact OG1-CG 3.37Å; T73-E76 PolarHBondContact OG1-N 2.95Å; T73-K77 PolarHBondContact O-N 3.23Å
74	V	41.1	Very low	51.1	Low	127 Å²	127	84.3 Å²	84.3	77%	0.77	45%	0.452	S	S	*	.	H	α-helix	trans	-55.2	-36.8	177.1	179.7	0	0	0	0	111	K77 S78	V74-K77 PolarHBondContact O-N 2.95Å; V74-S78 PolarHBondContact O-N 3.49Å
75	D	43.5	Very low	50.6	Low	65 Å²	65	89.3 Å²	89.3	35%	0.348	47%	0.474	S	S	.	.	H	α-helix	trans	-72.2	-32.7	177.3	-53.7	-32.2	0	0	0	113.5	T73 K77 S78 Y79 K531	T73-D75 PolarHBondContact O-N 2.99Å; D75-K77 VanDerWaalsContact C-N 3.31Å; D75-S78 PolarHBondContact O-N 2.8Å; D75-S78 PolarHBondContact O-OG 3.41Å; D75-Y79 PolarHBondContact O-N 3.18Å; D75-K531 HydrophobicContact CB-CG 4.44Å; D75-K531 WeakPolarHBondContact OD2-CE 3.34Å; D75-K531 IonicContact OD2-NZ 2.99Å; D75-K531 PolarHBondContact OD2-NZ 3.46Å
76	E	49.8	Very low	50.5	Low	67 Å²	67	89 Å²	89	31%	0.313	48%	0.479	S	S	.	.	H	α-helix	trans	-64.9	-39.8	173.6	-80.3	174.6	173.2	0	0	110	K70 P72 T73 Y79 L80	K70-E76 IonicContact NZ-OE1 3.21Å; K70-E76 PolarHBondContact NZ-OE1 3.47Å; P72-E76 VanDerWaalsContact CA-OE2 3.24Å; P72-E76 WeakPolarHBondContact CA-OE2 3.47Å; P72-E76 HydrophobicContact CB-CB 4.34Å; T73-E76 PolarHBondContact N-OE2 2.88Å; T73-E76 PolarHBondContact O-N 3.45Å; T73-E76 WeakPolarHBondContact OG1-CG 3.37Å; T73-E76 PolarHBondContact OG1-N 2.95Å; E76-Y79 PolarHBondContact O-N 3.38Å; E76-L80 WeakPolarHBondContact O-CB 2.98Å; E76-L80 WeakPolarHBondContact O-CD1 3.15Å; E76-L80 WeakPolarHBondContact O-CG 3.34Å; E76-L80 PolarHBondContact O-N 3.35Å
77	K	50.3	Low	51.2	Low	125 Å²	125	89.2 Å²	89.2	54%	0.543	48%	0.476	S	S	.	.	H	α-helix	trans	-64.2	-38.9	175.1	-70.2	-172.2	177.3	-173.4	0	112.9	P72 T73 V74 D75 L80 S81	P72-K77 HydrophobicContact CB-CG 4.44Å; T73-K77 PolarHBondContact O-N 3.23Å; V74-K77 PolarHBondContact O-N 2.95Å; D75-K77 VanDerWaalsContact C-N 3.31Å; K77-L80 PolarHBondContact O-N 3.45Å; K77-S81 WeakPolarHBondContact O-CB 3.47Å; K77-S81 PolarHBondContact O-N 3.1Å; K77-S81 PolarHBondContact O-OG 3.46Å
78	S	46.8	Very low	52.8	Low	45 Å²	45	85.6 Å²	85.6	32%	0.315	45%	0.453	S	S	.	.	H	α-helix	trans	-63.1	-46.5	177.6	77	0	0	0	0	110.5	V74 D75 L80 S81 Y82	V74-S78 PolarHBondContact O-N 3.49Å; D75-S78 PolarHBondContact O-N 2.8Å; D75-S78 PolarHBondContact O-OG 3.41Å; S78-L80 VanDerWaalsContact C-N 3.34Å; S78-L80 PolarHBondContact O-N 3.36Å; S78-S81 WeakPolarHBondContact CA-OG 3.28Å; S78-S81 CarbonylContact O-C 3.48Å; S78-S81 WeakPolarHBondContact O-CA 3.42Å; S78-S81 PolarHBondContact O-N 2.94Å; S78-S81 VanDerWaalsContact O-N 3.08Å; S78-S81 PolarHBondContact O-OG 3.25Å; S78-Y82 VanDerWaalsContact O-CD2 3.24Å; S78-Y82 WeakPolarHBondContact O-CD2 3.35Å; S78-Y82 PolarHBondContact O-N 3.08Å
79	Y	53.5	Low	54.6	Low	48 Å²	48	81.1 Å²	81.1	19%	0.188	43%	0.43	C	S	.	.	H	α-helix	trans	-61.4	-38.7	175.6	-171.3	-100.9	0	0	0	113.4	D75 E76 S81 Y82 T128 M529	D75-Y79 PolarHBondContact O-N 3.18Å; E76-Y79 PolarHBondContact O-N 3.38Å; Y79-S81 VanDerWaalsContact C-N 3.27Å; Y79-S81 PolarHBondContact O-N 3.25Å; Y79-Y82 WeakPolarHBondContact O-CB 3.36Å; Y79-Y82 PolarHBondContact O-N 2.8Å; Y79-T128 HydrophobicContact CE1-CG2 4.49Å; Y79-M529 HydrophobicContact CD1-CE 3.9Å; Y79-M529 HydrophobicContact CD1-SD 3.77Å; Y79-M529 VanDerWaalsContact CD2-C 3.47Å; Y79-M529 HydrophobicContact CD2-CB 4.12Å; Y79-M529 HydrophobicContact CD2-SD 4.32Å; Y79-M529 HydrophobicContact CE1-CE 3.85Å; Y79-M529 HydrophobicContact CE1-SD 3.47Å; Y79-M529 WeakPolarHBondContact CE1-SD 3.4Å; Y79-M529 HydrophobicContact CE2-SD 4.08Å; Y79-M529 HydrophobicContact CG-CB 4.14Å; Y79-M529 HydrophobicContact CG-SD 4.17Å
80	L	54.5	Low	56.2	Low	34 Å²	34	73.4 Å²	73.4	18%	0.178	40%	0.398	C	S	.	.	H	α-helix	trans	-68	-29.3	175.6	-69.2	163.2	0	0	0	112.3	E76 K77 S78 E126 T128	E76-L80 WeakPolarHBondContact O-CB 2.98Å; E76-L80 WeakPolarHBondContact O-CD1 3.15Å; E76-L80 WeakPolarHBondContact O-CG 3.34Å; E76-L80 PolarHBondContact O-N 3.35Å; K77-L80 PolarHBondContact O-N 3.45Å; S78-L80 VanDerWaalsContact C-N 3.34Å; S78-L80 PolarHBondContact O-N 3.36Å; L80-E126 HydrophobicContact CD1-CB 3.99Å; L80-E126 WeakPolarHBondContact CD1-OE2 3.34Å; L80-E126 HydrophobicContact CD2-CB 4.13Å; L80-T128 HydrophobicContact CD2-CG2 4.37Å
81	S	48.8	Very low	57.8	Low	91 Å²	91	72.7 Å²	72.7	64%	0.636	40%	0.395	S	S	*	.	H	α-helix	trans	-82.8	-15.6	174.8	75.8	0	0	0	0	114.3	K77 S78 Y79 A83	K77-S81 WeakPolarHBondContact O-CB 3.47Å; K77-S81 PolarHBondContact O-N 3.1Å; K77-S81 PolarHBondContact O-OG 3.46Å; S78-S81 WeakPolarHBondContact CA-OG 3.28Å; S78-S81 CarbonylContact O-C 3.48Å; S78-S81 WeakPolarHBondContact O-CA 3.42Å; S78-S81 PolarHBondContact O-N 2.94Å; S78-S81 VanDerWaalsContact O-N 3.08Å; S78-S81 PolarHBondContact O-OG 3.25Å; Y79-S81 VanDerWaalsContact C-N 3.27Å; Y79-S81 PolarHBondContact O-N 3.25Å; S81-A83 PolarHBondContact O-N 2.95Å
82	Y	50.8	Low	59.7	Low	120 Å²	120	65.1 Å²	65.1	47%	0.471	37%	0.365	S	S	.	.			trans	-61.4	110.2	175.7	-97.6	-87.2	0	0	0	108.9	S78 Y79 S84	S78-Y82 VanDerWaalsContact O-CD2 3.24Å; S78-Y82 WeakPolarHBondContact O-CD2 3.35Å; S78-Y82 PolarHBondContact O-N 3.08Å; Y79-Y82 WeakPolarHBondContact O-CB 3.36Å; Y79-Y82 PolarHBondContact O-N 2.8Å; Y82-S84 PolarHBondContact O-N 2.89Å
83	A	48.2	Very low	61.5	Low	74 Å²	74	64.2 Å²	64.2	61%	0.612	36%	0.358	S	S	*	.			trans	-67.8	80.8	170.4	0	0	0	0	0	109	S81 H85	S81-A83 PolarHBondContact O-N 2.95Å; A83-H85 PolarHBondContact O-N 3.13Å
84	S	57.2	Low	63	Low	30 Å²	30	69.1 Å²	69.1	21%	0.21	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-74	122.1	168.3	59	0	0	0	0	108.2	Y82 A86 P129 S361	Y82-S84 PolarHBondContact O-N 2.89Å; S84-A86 PolarHBondContact O-N 3.36Å; S84-P129 WeakPolarHBondContact OG-CB 3.47Å; S84-P129 VanDerWaalsContact OG-CG 3.24Å; S84-P129 WeakPolarHBondContact OG-CG 3.43Å; S84-S361 CarbonylContact C-O 3.49Å; S84-S361 VanDerWaalsContact CA-O 3.28Å; S84-S361 WeakPolarHBondContact CA-O 3.4Å
85	H	65.7	Low	63.7	Low	125 Å²	125	72.6 Å²	72.6	58%	0.579	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	116.9	171.8	-73.7	-79.9	0	0	0	108.3	A83 S361	A83-H85 PolarHBondContact O-N 3.13Å; H85-S361 PolarHBondContact N-O 3.15Å; H85-S361 VanDerWaalsContact N-O 3.09Å; H85-S361 PolarHBondContact O-N 3.01Å; H85-S361 VanDerWaalsContact O-N 3.1Å; H85-S361 PolarHBondContact O-OG 3.33Å
86	A	75.7	Confident	64.6	Low	33 Å²	33	76.8 Å²	76.8	27%	0.273	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	120.8	169.8	0	0	0	0	0	109.1	S84 H133 L358 L360	S84-A86 PolarHBondContact O-N 3.36Å; A86-H133 VanDerWaalsContact CB-CD2 3.48Å; A86-H133 WeakPolarHBondContact CB-CD2 3.49Å; A86-H133 VanDerWaalsContact CB-NE2 3.28Å; A86-H133 WeakPolarHBondContact CB-NE2 3.47Å; A86-L358 HydrophobicContact CB-CD1 3.93Å; A86-L360 HydrophobicContact CB-CD2 3.81Å
87	S	79.6	Confident	65.9	Low	31 Å²	31	75.5 Å²	75.5	22%	0.217	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.8	170.5	52.8	0	0	0	0	109	T359 V371	S87-T359 PolarHBondContact N-O 2.78Å; S87-T359 PolarHBondContact O-N 2.8Å; S87-T359 VanDerWaalsContact OG-CB 3.3Å; S87-T359 WeakPolarHBondContact OG-CB 3.11Å; S87-T359 PolarHBondContact OG-O 3.14Å; S87-V371 WeakPolarHBondContact OG-CG2 3.35Å
88	L	83	Confident	67.3	Low	41 Å²	41	74.3 Å²	74.3	22%	0.215	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	140.6	176.2	-65.1	179.6	0	0	0	109.9	V93 F97 Y99 I137 I356 S357 L358	L88-V93 HydrophobicContact CB-CG1 4.19Å; L88-V93 HydrophobicContact CB-CG2 4.34Å; L88-F97 HydrophobicContact CD1-CE1 4.22Å; L88-Y99 HydrophobicContact CD1-CD1 4.19Å; L88-Y99 HydrophobicContact CD1-CE1 3.24Å; L88-Y99 WeakPolarHBondContact CD1-OH 3.49Å; L88-I137 HydrophobicContact CD1-CD1 4.49Å; L88-I137 HydrophobicContact CD2-CD1 3.81Å; L88-I356 HydrophobicContact CD2-CG2 3.96Å; L88-S357 CarbonylContact C-O 3.53Å; L88-S357 VanDerWaalsContact CA-O 3.3Å; L88-S357 WeakPolarHBondContact CA-O 3.3Å; L88-L358 HydrophobicContact CD2-CB 3.96Å; L88-L358 HydrophobicContact CD2-CD1 3.59Å; L88-L358 HydrophobicContact CD2-CG 4.37Å
89	S	82.9	Confident	69.1	Low	17 Å²	17	74.2 Å²	74.2	12%	0.119	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	163.3	170.5	67.5	0	0	0	0	111.3	S357 P372	S89-S357 PolarHBondContact N-O 3.07Å; S89-S357 PolarHBondContact O-N 2.87Å; S89-S357 WeakPolarHBondContact OG-CB 3.42Å; S89-P372 PolarHBondContact OG-O 2.91Å
90	G	79.3	Confident	70.5	Confident	15 Å²	15	77.9 Å²	77.9	16%	0.155	42%	0.417	C	S	.	.	S	Bend	trans	138.9	165	-179.5	0	0	0	0	0	111.6	P92 V93	G90-P92 VanDerWaalsContact C-N 3.31Å; G90-V93 PolarHBondContact O-N 3.42Å; G90-V93 VanDerWaalsContact O-N 3.09Å
91	F	80.4	Confident	72	Confident	131 Å²	131	79.9 Å²	79.9	58%	0.575	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-35.7	177.9	-77.1	-75.4	0	0	0	114.4	V93 W374	F91-V93 VanDerWaalsContact C-N 3.27Å; F91-V93 PolarHBondContact O-N 2.98Å; F91-W374 AromaticContact CD2-CD1 3.62Å; F91-W374 AromaticContact CE2-CD1 3.85Å
92	P	79.6	Confident	73.8	Confident	23 Å²	23	75.6 Å²	75.6	15%	0.149	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-25.7	175.8	-23.7	36.1	0	0	0	114	G90 K94 F97 F170 P353 C355 I356	G90-P92 VanDerWaalsContact C-N 3.31Å; P92-K94 VanDerWaalsContact C-N 3.29Å; P92-K94 PolarHBondContact O-N 3.46Å; P92-F97 HydrophobicContact CB-CD2 4.3Å; P92-F97 HydrophobicContact CB-CE2 4.38Å; P92-F97 WeakPolarHBondContact O-CB 3.3Å; P92-F97 WeakPolarHBondContact O-CD2 3.28Å; P92-F170 HydrophobicContact CB-CD1 4Å; P92-F170 HydrophobicContact CB-CE1 3.52Å; P92-F170 HydrophobicContact CB-CZ 4.16Å; P92-F170 HydrophobicContact CG-CD1 3.77Å; P92-F170 HydrophobicContact CG-CE1 3.69Å; P92-P353 VanDerWaalsContact CD-O 3.27Å; P92-P353 WeakPolarHBondContact CD-O 3.27Å; P92-P353 VanDerWaalsContact CG-O 3.26Å; P92-P353 WeakPolarHBondContact CG-O 3.25Å; P92-C355 WeakPolarHBondContact CD-O 3.5Å; P92-I356 HydrophobicContact CB-CG1 4.24Å; P92-I356 HydrophobicContact CG-CG1 4.17Å
93	V	77.9	Confident	75.4	Confident	46 Å²	46	73.4 Å²	73.4	28%	0.279	39%	0.393	S	S	.	.			trans	-81.8	75.9	-172.6	-169.2	0	0	0	0	109.4	L88 G90 F91 F97 I356	L88-V93 HydrophobicContact CB-CG1 4.19Å; L88-V93 HydrophobicContact CB-CG2 4.34Å; G90-V93 PolarHBondContact O-N 3.42Å; G90-V93 VanDerWaalsContact O-N 3.09Å; F91-V93 VanDerWaalsContact C-N 3.27Å; F91-V93 PolarHBondContact O-N 2.98Å; V93-F97 HydrophobicContact CB-CD1 4.5Å; V93-F97 HydrophobicContact CG1-CD1 4.25Å; V93-F97 HydrophobicContact CG2-CD1 4.22Å; V93-F97 HydrophobicContact CG2-CE1 4.43Å; V93-I356 HydrophobicContact CG2-CG1 4.27Å; V93-I356 HydrophobicContact CG2-CG2 4.22Å
94	K	75.3	Confident	77.3	Confident	163 Å²	163	71.9 Å²	71.9	71%	0.709	38%	0.375	S	S	*	.	S	Bend	trans	-101.5	176.1	170.3	-62.4	-177.2	-179.1	-180	0	109.9	P92 N96 F97	P92-K94 VanDerWaalsContact C-N 3.29Å; P92-K94 PolarHBondContact O-N 3.46Å; K94-N96 PolarHBondContact O-N 3.08Å; K94-F97 WeakPolarHBondContact O-CB 3.17Å; K94-F97 PolarHBondContact O-N 2.97Å
95	E	54.1	Low	78.8	Confident	200 Å²	200	70.6 Å²	70.6	94%	0.935	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-28.2	-176.1	-67.3	179.5	173	0	0	114.6
96	N	62.6	Low	79.9	Confident	153 Å²	153	69.7 Å²	69.7	82%	0.818	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	6.9	-179.6	-61.8	-15.1	0	0	0	114.3	K94 S98	K94-N96 PolarHBondContact O-N 3.08Å; N96-S98 PolarHBondContact O-N 3.3Å
97	F	77.7	Confident	80.6	Confident	41 Å²	41	72 Å²	72	18%	0.18	37%	0.37	C	S	.	.			trans	-71.6	121.4	177.4	-180	-98.4	0	0	0	110.2	L88 P92 V93 K94 Y99 F170 I356	L88-F97 HydrophobicContact CD1-CE1 4.22Å; P92-F97 HydrophobicContact CB-CD2 4.3Å; P92-F97 HydrophobicContact CB-CE2 4.38Å; P92-F97 WeakPolarHBondContact O-CB 3.3Å; P92-F97 WeakPolarHBondContact O-CD2 3.28Å; V93-F97 HydrophobicContact CB-CD1 4.5Å; V93-F97 HydrophobicContact CG1-CD1 4.25Å; V93-F97 HydrophobicContact CG2-CD1 4.22Å; V93-F97 HydrophobicContact CG2-CE1 4.43Å; K94-F97 WeakPolarHBondContact O-CB 3.17Å; K94-F97 PolarHBondContact O-N 2.97Å; F97-Y99 HydrophobicContact CD1-CD1 4.33Å; F97-Y99 AromaticContact CE1-CD1 3.53Å; F97-Y99 HydrophobicContact CE1-CD1 3.53Å; F97-Y99 HydrophobicContact CE1-CE1 4.09Å; F97-Y99 HydrophobicContact CE1-CG 4.45Å; F97-Y99 HydrophobicContact CZ-CD1 4.1Å; F97-F170 HydrophobicContact CD2-CZ 4.5Å; F97-F170 HydrophobicContact CE2-CD2 4.3Å; F97-F170 AromaticContact CE2-CE2 3.69Å; F97-F170 HydrophobicContact CE2-CE2 3.69Å; F97-F170 AromaticContact CE2-CZ 3.86Å; F97-F170 HydrophobicContact CE2-CZ 3.86Å; F97-F170 HydrophobicContact CZ-CE2 4.43Å; F97-I356 HydrophobicContact CE1-CD1 4.14Å; F97-I356 HydrophobicContact CE2-CD1 3.73Å; F97-I356 HydrophobicContact CZ-CD1 3.31Å; F97-I356 HydrophobicContact CZ-CG1 4.41Å
98	S	78.9	Confident	81.1	Confident	100 Å²	100	70.8 Å²	70.8	70%	0.699	36%	0.361	S	S	*	.			trans	-137	153.6	175.6	57	0	0	0	0	110.3	N96	N96-S98 PolarHBondContact O-N 3.3Å
99	Y	85.1	Confident	81.3	Confident	43 Å²	43	70.1 Å²	70.1	17%	0.169	36%	0.36	C	S	.	.			trans	-152.6	156.9	175	65.4	-75.3	0	0	0	107.9	L88 F97 I101 H133 I137	L88-Y99 HydrophobicContact CD1-CD1 4.19Å; L88-Y99 HydrophobicContact CD1-CE1 3.24Å; L88-Y99 WeakPolarHBondContact CD1-OH 3.49Å; F97-Y99 HydrophobicContact CD1-CD1 4.33Å; F97-Y99 AromaticContact CE1-CD1 3.53Å; F97-Y99 HydrophobicContact CE1-CD1 3.53Å; F97-Y99 HydrophobicContact CE1-CE1 4.09Å; F97-Y99 HydrophobicContact CE1-CG 4.45Å; F97-Y99 HydrophobicContact CZ-CD1 4.1Å; Y99-I101 HydrophobicContact CE2-CG1 3.87Å; Y99-I101 PolarHBondContact O-N 2.68Å; Y99-H133 AromaticContact CE2-ND1 3.84Å; Y99-H133 AromaticContact CZ-ND1 3.7Å; Y99-H133 PolarHBondContact OH-CE1 3.49Å; Y99-H133 PolarHBondContact OH-ND1 3.13Å; Y99-I137 HydrophobicContact CD1-CG1 4.42Å; Y99-I137 HydrophobicContact CD2-CG1 3.77Å; Y99-I137 HydrophobicContact CE2-CD1 4.32Å; Y99-I137 HydrophobicContact CE2-CG1 3.93Å; Y99-I137 HydrophobicContact CG-CG1 4.02Å
100	E	83.5	Confident	81.6	Confident	125 Å²	125	75.7 Å²	75.7	58%	0.584	38%	0.382	S	S	*	.			trans	-76.6	121.7	178	-67.3	175.6	178.4	0	0	109.7	G136	E100-G136 VanDerWaalsContact O-CA 3.24Å; E100-G136 WeakPolarHBondContact O-CA 3.18Å
101	I	85.4	Confident	82.2	Confident	76 Å²	76	76.8 Å²	76.8	39%	0.39	39%	0.385	S	S	.	.			trans	-81.1	118	170.8	-60.9	172.9	0	0	0	107	Y99 N103 K132	Y99-I101 HydrophobicContact CE2-CG1 3.87Å; Y99-I101 PolarHBondContact O-N 2.68Å; I101-N103 PolarHBondContact O-N 3.39Å; I101-N103 PolarHBondContact O-ND2 2.86Å; I101-K132 HydrophobicContact CG2-CB 4.01Å
102	V	87.1	Confident	82.8	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	36%	0.363	C	S	.	.			trans	-88.7	102.6	-175.4	-176.8	0	0	0	0	108.9	N104 E107 I108 L127 K132 I135	V102-N104 WeakPolarHBondContact CG1-O 3.44Å; V102-E107 HydrophobicContact CG1-CB 4Å; V102-I108 HydrophobicContact CG1-CG1 3.72Å; V102-L127 HydrophobicContact CB-CD1 4.22Å; V102-L127 HydrophobicContact CG1-CD1 3.58Å; V102-L127 WeakPolarHBondContact O-CD1 3.09Å; V102-K132 PolarHBondContact N-O 3.16Å; V102-K132 VanDerWaalsContact O-CA 3.25Å; V102-K132 WeakPolarHBondContact O-CA 3.32Å; V102-K132 WeakPolarHBondContact O-CB 3.48Å; V102-K132 VanDerWaalsContact O-CG 3.25Å; V102-K132 WeakPolarHBondContact O-CG 3.14Å; V102-I135 HydrophobicContact CG2-CB 4.49Å; V102-I135 HydrophobicContact CG2-CG2 4.11Å
103	N	84.7	Confident	83.5	Confident	74 Å²	74	75.8 Å²	75.8	40%	0.396	38%	0.381	S	S	.	.			trans	-79.4	-33.6	-176.3	-63.3	-69.8	0	0	0	113	I101 E107	I101-N103 PolarHBondContact O-N 3.39Å; I101-N103 PolarHBondContact O-ND2 2.86Å; N103-E107 VanDerWaalsContact CB-OE2 3.28Å; N103-E107 WeakPolarHBondContact CB-OE2 3.41Å; N103-E107 PolarHBondContact N-OE2 3.2Å; N103-E107 PolarHBondContact ND2-OE2 3.15Å
104	N	87.3	Confident	84.3	Confident	42 Å²	42	74.2 Å²	74.2	23%	0.225	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-140.6	168.4	180	63.6	71.6	0	0	0	110.3	V102 N106 E107 F125	V102-N104 WeakPolarHBondContact CG1-O 3.44Å; N104-N106 PolarHBondContact O-N 2.81Å; N104-N106 VanDerWaalsContact O-N 3.14Å; N104-N106 WeakPolarHBondContact OD1-CA 3.36Å; N104-N106 VanDerWaalsContact OD1-CB 3.3Å; N104-N106 WeakPolarHBondContact OD1-CB 3.39Å; N104-N106 PolarHBondContact OD1-N 2.8Å; N104-E107 PolarHBondContact ND2-OE1 3.17Å; N104-E107 PolarHBondContact O-N 2.84Å; N104-E107 VanDerWaalsContact O-N 3.11Å; N104-E107 PolarHBondContact OD1-N 2.84Å; N104-F125 WeakPolarHBondContact CB-O 3.3Å
105	I	88.7	Confident	85.2	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.015	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-63.4	-19.6	-175.6	57.2	165.1	0	0	0	114.7	E107 I108 L116 L119 Q120 L124 L127	I105-E107 VanDerWaalsContact C-N 3.34Å; I105-I108 HydrophobicContact CB-CD1 4.2Å; I105-I108 HydrophobicContact CG2-CD1 4.43Å; I105-I108 WeakPolarHBondContact O-CD1 3.42Å; I105-I108 WeakPolarHBondContact O-CG1 3.45Å; I105-L116 HydrophobicContact CD1-CD1 4.22Å; I105-L116 HydrophobicContact CG1-CD1 4.41Å; I105-L119 HydrophobicContact CB-CB 4.47Å; I105-L119 HydrophobicContact CB-CD1 4.35Å; I105-L119 HydrophobicContact CD1-CB 4.05Å; I105-L119 HydrophobicContact CG2-CB 4.22Å; I105-L119 HydrophobicContact CG2-CD1 4.19Å; I105-Q120 HydrophobicContact CD1-CB 4.49Å; I105-Q120 HydrophobicContact CD1-CG 3.61Å; I105-L124 VanDerWaalsContact CD1-O 3.3Å; I105-L124 WeakPolarHBondContact CD1-O 3.24Å; I105-L124 WeakPolarHBondContact CG1-O 3.34Å; I105-L124 HydrophobicContact CG2-CB 4.19Å; I105-L124 WeakPolarHBondContact CG2-O 3.42Å; I105-L127 HydrophobicContact CG2-CD2 4.12Å
106	N	89	Confident	87	Confident	107 Å²	107	57.8 Å²	57.8	57%	0.572	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-80.7	-18.6	178.4	-54.3	-52.5	0	0	0	112.3	N104 I108	N104-N106 PolarHBondContact O-N 2.81Å; N104-N106 VanDerWaalsContact O-N 3.14Å; N104-N106 WeakPolarHBondContact OD1-CA 3.36Å; N104-N106 VanDerWaalsContact OD1-CB 3.3Å; N104-N106 WeakPolarHBondContact OD1-CB 3.39Å; N104-N106 PolarHBondContact OD1-N 2.8Å; N106-I108 VanDerWaalsContact C-N 3.27Å
107	E	89.9	Confident	88.4	Confident	81 Å²	81	53.2 Å²	53.2	38%	0.379	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-85.8	3.6	176.7	-69.2	171.5	-156.6	0	0	112.5	V102 N103 N104 I105 P109	V102-E107 HydrophobicContact CG1-CB 4Å; N103-E107 VanDerWaalsContact CB-OE2 3.28Å; N103-E107 WeakPolarHBondContact CB-OE2 3.41Å; N103-E107 PolarHBondContact N-OE2 3.2Å; N103-E107 PolarHBondContact ND2-OE2 3.15Å; N104-E107 PolarHBondContact ND2-OE1 3.17Å; N104-E107 PolarHBondContact O-N 2.84Å; N104-E107 VanDerWaalsContact O-N 3.11Å; N104-E107 PolarHBondContact OD1-N 2.84Å; I105-E107 VanDerWaalsContact C-N 3.34Å; E107-P109 WeakPolarHBondContact O-CD 3.39Å
108	I	90.1	Very high	89.1	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.026	27%	0.265	C	S	.	.	S	Bend	trans	-66.1	122.8	178.5	-64.1	168.9	0	0	0	109	V102 I105 N106 K110 V111 L119 I135 I188	V102-I108 HydrophobicContact CG1-CG1 3.72Å; I105-I108 HydrophobicContact CB-CD1 4.2Å; I105-I108 HydrophobicContact CG2-CD1 4.43Å; I105-I108 WeakPolarHBondContact O-CD1 3.42Å; I105-I108 WeakPolarHBondContact O-CG1 3.45Å; N106-I108 VanDerWaalsContact C-N 3.27Å; I108-K110 PolarHBondContact O-N 3.11Å; I108-V111 HydrophobicContact CB-CB 3.99Å; I108-V111 HydrophobicContact CB-CG2 4.27Å; I108-V111 HydrophobicContact CG2-CB 3.93Å; I108-V111 HydrophobicContact CG2-CG2 4.13Å; I108-V111 PolarHBondContact O-N 3.43Å; I108-L119 HydrophobicContact CD1-CD1 3.61Å; I108-I135 HydrophobicContact CG1-CG2 4.27Å; I108-I135 HydrophobicContact CG2-CG2 4.37Å; I108-I188 HydrophobicContact CD1-CG2 3.7Å; I108-I188 HydrophobicContact CG1-CG2 4.48Å; I108-I188 HydrophobicContact CG2-CG2 4.42Å
109	P	88.2	Confident	89.7	Confident	28 Å²	28	46.7 Å²	46.7	18%	0.182	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	125.6	-175.6	-23.7	33.1	0	0	0	111.9	E107 V111 N192	E107-P109 WeakPolarHBondContact O-CD 3.39Å; P109-V111 PolarHBondContact O-N 2.75Å; P109-N192 PolarHBondContact O-ND2 3.43Å
110	K	88.2	Confident	89.9	Confident	134 Å²	134	48.8 Å²	48.8	58%	0.583	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.9	56.9	178.3	-65	170.6	-179.3	172.2	0	110.6	I108 Y143 N192 R196	I108-K110 PolarHBondContact O-N 3.11Å; K110-Y143 PolarHBondContact NZ-OH 3.11Å; K110-N192 PolarHBondContact O-ND2 2.8Å; K110-R196 WeakPolarHBondContact O-CD 3.28Å; K110-R196 PolarHBondContact O-NH1 3.45Å; K110-R196 VanDerWaalsContact O-NH1 3.1Å
111	V	92.5	Very high	90.1	Very high	37 Å²	37	45.1 Å²	45.1	22%	0.224	23%	0.234	C	C	.	.			trans	-74.5	134.5	-179.8	65.7	0	0	0	0	111.5	I108 P109 L115 L116 N192	I108-V111 HydrophobicContact CB-CB 3.99Å; I108-V111 HydrophobicContact CB-CG2 4.27Å; I108-V111 HydrophobicContact CG2-CB 3.93Å; I108-V111 HydrophobicContact CG2-CG2 4.13Å; I108-V111 PolarHBondContact O-N 3.43Å; P109-V111 PolarHBondContact O-N 2.75Å; V111-L115 HydrophobicContact CG2-CB 4.46Å; V111-L115 HydrophobicContact CG2-CD2 4.29Å; V111-L115 HydrophobicContact CG2-CG 4.36Å; V111-L116 HydrophobicContact CG1-CB 4.39Å; V111-L116 HydrophobicContact CG1-CD2 4.31Å; V111-L116 HydrophobicContact CG2-CB 4.17Å; V111-N192 WeakPolarHBondContact CA-OD1 3.29Å
112	D	94.2	Very high	90.2	Very high	20 Å²	20	43 Å²	43	11%	0.107	22%	0.223	C	C	.	.			trans	-69.4	134.2	170.8	-176.3	-77.7	0	0	0	110.1	K114 L115 L116 N192 L195 R196	D112-K114 VanDerWaalsContact CG-NZ 3.28Å; D112-K114 PolarHBondContact O-N 2.73Å; D112-K114 WeakPolarHBondContact OD1-CA 3.49Å; D112-K114 WeakPolarHBondContact OD1-CB 3.47Å; D112-K114 WeakPolarHBondContact OD1-CE 3.39Å; D112-K114 VanDerWaalsContact OD1-CG 3.28Å; D112-K114 WeakPolarHBondContact OD1-CG 3.38Å; D112-K114 PolarHBondContact OD1-N 3.48Å; D112-K114 IonicContact OD1-NZ 2.66Å; D112-K114 PolarHBondContact OD1-NZ 3.31Å; D112-K114 IonicContact OD2-NZ 3.72Å; D112-K114 PolarHBondContact OD2-NZ 3.09Å; D112-L115 HydrophobicContact CB-CB 4.46Å; D112-L115 WeakPolarHBondContact O-CB 3.46Å; D112-L115 PolarHBondContact O-N 3.38Å; D112-L116 PolarHBondContact O-N 3.07Å; D112-N192 PolarHBondContact N-OD1 2.67Å; D112-L195 HydrophobicContact CB-CB 3.9Å; D112-L195 HydrophobicContact CB-CD1 3.99Å; D112-R196 HydrophobicContact CB-CG 4.37Å
113	Q	93.4	Very high	89.9	Confident	114 Å²	114	44.1 Å²	44.1	53%	0.533	23%	0.234	S	C	.	.	H	α-helix	trans	-58.5	-34.1	-176.3	-169.8	62.1	45.7	0	0	113.1	L115 L116 N117	Q113-L115 VanDerWaalsContact C-N 3.32Å; Q113-L115 PolarHBondContact O-N 3.11Å; Q113-L116 PolarHBondContact O-N 3.27Å; Q113-N117 PolarHBondContact NE2-OD1 2.88Å; Q113-N117 PolarHBondContact O-N 2.86Å; Q113-N117 PolarHBondContact O-ND2 3.37Å; Q113-N117 PolarHBondContact O-OD1 3.11Å
114	K	93.9	Very high	89.7	Confident	13 Å²	13	41.9 Å²	41.9	6%	0.057	22%	0.222	C	C	.	.	H	α-helix	trans	-64.1	-41.9	178	-54.5	-179.1	-69.4	-64.3	0	110.3	M51 L53 D112 N118 L195 T242	M51-K114 PolarHBondContact O-NZ 2.88Å; L53-K114 HydrophobicContact CD1-CB 4.34Å; L53-K114 HydrophobicContact CD1-CD 4.15Å; L53-K114 HydrophobicContact CD1-CG 3.77Å; D112-K114 VanDerWaalsContact CG-NZ 3.28Å; D112-K114 PolarHBondContact O-N 2.73Å; D112-K114 WeakPolarHBondContact OD1-CA 3.49Å; D112-K114 WeakPolarHBondContact OD1-CB 3.47Å; D112-K114 WeakPolarHBondContact OD1-CE 3.39Å; D112-K114 VanDerWaalsContact OD1-CG 3.28Å; D112-K114 WeakPolarHBondContact OD1-CG 3.38Å; D112-K114 PolarHBondContact OD1-N 3.48Å; D112-K114 IonicContact OD1-NZ 2.66Å; D112-K114 PolarHBondContact OD1-NZ 3.31Å; D112-K114 IonicContact OD2-NZ 3.72Å; D112-K114 PolarHBondContact OD2-NZ 3.09Å; K114-N118 PolarHBondContact O-N 3.28Å; K114-N118 PolarHBondContact O-ND2 3.02Å; K114-L195 HydrophobicContact CB-CD1 4.39Å; K114-T242 HydrophobicContact CB-CG2 4.25Å; K114-T242 HydrophobicContact CD-CG2 4.36Å
115	L	94.5	Very high	88.9	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.2	-46.6	176	176.2	56.9	0	0	0	111.1	V111 D112 Q113 N117 N118 L119 F191 N192 L195 L238	V111-L115 HydrophobicContact CG2-CB 4.46Å; V111-L115 HydrophobicContact CG2-CD2 4.29Å; V111-L115 HydrophobicContact CG2-CG 4.36Å; D112-L115 HydrophobicContact CB-CB 4.46Å; D112-L115 WeakPolarHBondContact O-CB 3.46Å; D112-L115 PolarHBondContact O-N 3.38Å; Q113-L115 VanDerWaalsContact C-N 3.32Å; Q113-L115 PolarHBondContact O-N 3.11Å; L115-N117 VanDerWaalsContact C-N 3.31Å; L115-N117 PolarHBondContact O-N 3.46Å; L115-N118 PolarHBondContact O-N 3.43Å; L115-N118 VanDerWaalsContact O-N 3.1Å; L115-L119 HydrophobicContact CD1-CD1 4.07Å; L115-L119 HydrophobicContact CD1-CD2 4.32Å; L115-L119 HydrophobicContact CD1-CG 3.91Å; L115-L119 HydrophobicContact CG-CD1 3.95Å; L115-L119 HydrophobicContact CG-CG 4.25Å; L115-L119 WeakPolarHBondContact O-CG 3.35Å; L115-L119 PolarHBondContact O-N 3.36Å; L115-F191 HydrophobicContact CD1-CD1 3.93Å; L115-F191 HydrophobicContact CD1-CE1 4.37Å; L115-F191 HydrophobicContact CD2-CD1 4.43Å; L115-N192 HydrophobicContact CD2-CB 3.51Å; L115-L195 HydrophobicContact CB-CD1 3.93Å; L115-L238 HydrophobicContact CD1-CB 4.31Å; L115-L238 HydrophobicContact CD1-CD2 3.82Å; L115-L238 HydrophobicContact CD1-CG 4.44Å
116	L	93.1	Very high	88.4	Confident	18 Å²	18	51.3 Å²	51.3	9%	0.094	26%	0.263	C	S	.	.	H	α-helix	trans	-56.6	-46	178.8	-176.3	60.4	0	0	0	111.6	I105 V111 D112 Q113 N118 L119 Q120	I105-L116 HydrophobicContact CD1-CD1 4.22Å; I105-L116 HydrophobicContact CG1-CD1 4.41Å; V111-L116 HydrophobicContact CG1-CB 4.39Å; V111-L116 HydrophobicContact CG1-CD2 4.31Å; V111-L116 HydrophobicContact CG2-CB 4.17Å; D112-L116 PolarHBondContact O-N 3.07Å; Q113-L116 PolarHBondContact O-N 3.27Å; L116-N118 VanDerWaalsContact C-N 3.33Å; L116-N118 PolarHBondContact O-N 3.13Å; L116-L119 PolarHBondContact O-N 3.37Å; L116-Q120 WeakPolarHBondContact O-CG 3.49Å; L116-Q120 PolarHBondContact O-N 3.49Å
117	N	91.9	Very high	88.2	Confident	57 Å²	57	46.3 Å²	46.3	31%	0.305	24%	0.236	S	C	.	.	H	α-helix	trans	-59.4	-42	176.4	-66.3	-7	0	0	0	112.2	Q113 L115 A121	Q113-N117 PolarHBondContact NE2-OD1 2.88Å; Q113-N117 PolarHBondContact O-N 2.86Å; Q113-N117 PolarHBondContact O-ND2 3.37Å; Q113-N117 PolarHBondContact O-OD1 3.11Å; L115-N117 VanDerWaalsContact C-N 3.31Å; L115-N117 PolarHBondContact O-N 3.46Å; N117-A121 WeakPolarHBondContact O-CB 3.32Å; N117-A121 PolarHBondContact O-N 2.97Å
118	N	92.1	Very high	87.9	Confident	4 Å²	4	43 Å²	43	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-70.2	-37.2	178.7	-71.4	-28.6	0	0	0	111.9	F65 K114 L115 L116 A121 M122 L238 N240	F65-N118 HydrophobicContact CZ-CB 4.4Å; K114-N118 PolarHBondContact O-N 3.28Å; K114-N118 PolarHBondContact O-ND2 3.02Å; L115-N118 PolarHBondContact O-N 3.43Å; L115-N118 VanDerWaalsContact O-N 3.1Å; L116-N118 VanDerWaalsContact C-N 3.33Å; L116-N118 PolarHBondContact O-N 3.13Å; N118-A121 PolarHBondContact O-N 3.39Å; N118-M122 VanDerWaalsContact O-CG 3.25Å; N118-M122 WeakPolarHBondContact O-CG 3.17Å; N118-M122 PolarHBondContact O-N 2.99Å; N118-L238 PolarHBondContact ND2-O 3.44Å; N118-N240 PolarHBondContact ND2-O 2.9Å; N118-N240 PolarHBondContact OD1-ND2 3.47Å; N118-N240 VanDerWaalsContact OD1-ND2 3.12Å
119	L	91.6	Very high	87.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.1	-41	175.2	-69.1	174.2	0	0	0	111.8	I105 I108 L115 L116 M122 G123 L124 I188 L238	I105-L119 HydrophobicContact CB-CB 4.47Å; I105-L119 HydrophobicContact CB-CD1 4.35Å; I105-L119 HydrophobicContact CD1-CB 4.05Å; I105-L119 HydrophobicContact CG2-CB 4.22Å; I105-L119 HydrophobicContact CG2-CD1 4.19Å; I108-L119 HydrophobicContact CD1-CD1 3.61Å; L115-L119 HydrophobicContact CD1-CD1 4.07Å; L115-L119 HydrophobicContact CD1-CD2 4.32Å; L115-L119 HydrophobicContact CD1-CG 3.91Å; L115-L119 HydrophobicContact CG-CD1 3.95Å; L115-L119 HydrophobicContact CG-CG 4.25Å; L115-L119 WeakPolarHBondContact O-CG 3.35Å; L115-L119 PolarHBondContact O-N 3.36Å; L116-L119 PolarHBondContact O-N 3.37Å; L119-M122 HydrophobicContact CD2-SD 4.44Å; L119-M122 WeakPolarHBondContact O-CB 3.23Å; L119-M122 PolarHBondContact O-N 3.01Å; L119-G123 PolarHBondContact O-N 3.46Å; L119-L124 HydrophobicContact CD2-CD1 3.92Å; L119-L124 PolarHBondContact O-N 2.98Å; L119-I188 HydrophobicContact CD1-CD1 4.43Å; L119-I188 HydrophobicContact CD2-CD1 3.9Å; L119-I188 HydrophobicContact CD2-CG1 4.03Å; L119-L238 HydrophobicContact CD2-CD2 3.74Å
120	Q	89.7	Confident	87.6	Confident	86 Å²	86	42 Å²	42	40%	0.402	22%	0.215	S	C	.	.	H	α-helix	trans	-61.2	-45.1	172.3	-71.7	174.8	-15.4	0	0	111.3	I105 L116 M122 G123	I105-Q120 HydrophobicContact CD1-CB 4.49Å; I105-Q120 HydrophobicContact CD1-CG 3.61Å; L116-Q120 WeakPolarHBondContact O-CG 3.49Å; L116-Q120 PolarHBondContact O-N 3.49Å; Q120-M122 PolarHBondContact O-N 2.94Å; Q120-G123 PolarHBondContact O-N 3.37Å
121	A	87	Confident	87.8	Confident	48 Å²	48	35.9 Å²	35.9	40%	0.397	19%	0.189	S	C	.	.	H	α-helix	trans	-64.4	-21.2	176.3	0	0	0	0	0	113.7	F65 N117 N118 G123	F65-A121 HydrophobicContact CD1-CB 3.91Å; F65-A121 HydrophobicContact CE1-CB 3.77Å; F65-A121 HydrophobicContact CE2-CB 4.45Å; F65-A121 HydrophobicContact CG-CB 4.32Å; F65-A121 HydrophobicContact CZ-CB 4.06Å; N117-A121 WeakPolarHBondContact O-CB 3.32Å; N117-A121 PolarHBondContact O-N 2.97Å; N118-A121 PolarHBondContact O-N 3.39Å; A121-G123 VanDerWaalsContact C-N 3.29Å
122	M	86.8	Confident	87.7	Confident	33 Å²	33	36.5 Å²	36.5	16%	0.163	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-8.9	172.2	-69.6	173.8	68	0	0	113.4	F65 N118 L119 Q120 L124 L184 E234 K237 L238	F65-M122 HydrophobicContact CD1-CG 3.95Å; F65-M122 HydrophobicContact CE1-CG 3.76Å; N118-M122 VanDerWaalsContact O-CG 3.25Å; N118-M122 WeakPolarHBondContact O-CG 3.17Å; N118-M122 PolarHBondContact O-N 2.99Å; L119-M122 HydrophobicContact CD2-SD 4.44Å; L119-M122 WeakPolarHBondContact O-CB 3.23Å; L119-M122 PolarHBondContact O-N 3.01Å; Q120-M122 PolarHBondContact O-N 2.94Å; M122-L124 VanDerWaalsContact C-N 3.28Å; M122-L124 HydrophobicContact CB-CD1 3.88Å; M122-L124 HydrophobicContact CB-CG 4.21Å; M122-L124 HydrophobicContact CE-CD1 3.72Å; M122-L124 PolarHBondContact O-N 2.75Å; M122-L124 HydrophobicContact SD-CD1 4.11Å; M122-L184 HydrophobicContact CE-CD1 4.35Å; M122-L184 HydrophobicContact CE-CD2 4.04Å; M122-E234 WeakPolarHBondContact CE-OE2 3.3Å; M122-K237 HydrophobicContact CE-CB 4.3Å; M122-K237 HydrophobicContact CE-CD 3.66Å; M122-K237 HydrophobicContact CG-CB 4.1Å; M122-K237 HydrophobicContact CG-CD 4.05Å; M122-K237 HydrophobicContact SD-CB 3.71Å; M122-K237 HydrophobicContact SD-CD 4.06Å; M122-L238 HydrophobicContact SD-CD2 3.69Å
123	G	82	Confident	87.5	Confident	23 Å²	23	36.7 Å²	36.7	24%	0.237	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	20.7	-174.7	0	0	0	0	0	113.8	L119 Q120 A121 F125	L119-G123 PolarHBondContact O-N 3.46Å; Q120-G123 PolarHBondContact O-N 3.37Å; A121-G123 VanDerWaalsContact C-N 3.29Å; G123-F125 WeakPolarHBondContact O-CD2 3.23Å; G123-F125 PolarHBondContact O-N 3.33Å; G123-F125 VanDerWaalsContact O-N 3.11Å
124	L	79	Confident	87.5	Confident	27 Å²	27	31.3 Å²	31.3	14%	0.141	16%	0.163	C	C	.	.			trans	-81.2	83.6	178	-78.9	158.7	0	0	0	110.1	I105 L119 M122 L184	I105-L124 VanDerWaalsContact CD1-O 3.3Å; I105-L124 WeakPolarHBondContact CD1-O 3.24Å; I105-L124 WeakPolarHBondContact CG1-O 3.34Å; I105-L124 HydrophobicContact CG2-CB 4.19Å; I105-L124 WeakPolarHBondContact CG2-O 3.42Å; L119-L124 HydrophobicContact CD2-CD1 3.92Å; L119-L124 PolarHBondContact O-N 2.98Å; M122-L124 VanDerWaalsContact C-N 3.28Å; M122-L124 HydrophobicContact CB-CD1 3.88Å; M122-L124 HydrophobicContact CB-CG 4.21Å; M122-L124 HydrophobicContact CE-CD1 3.72Å; M122-L124 PolarHBondContact O-N 2.75Å; M122-L124 HydrophobicContact SD-CD1 4.11Å; L124-L184 HydrophobicContact CD1-CD1 3.54Å; L124-L184 HydrophobicContact CD2-CD1 3.84Å; L124-L184 HydrophobicContact CG-CD1 4.32Å
125	F	71.8	Confident	87.5	Confident	129 Å²	129	30.7 Å²	30.7	57%	0.566	16%	0.161	S	C	*	.			trans	-88.7	-39.5	175.9	-60.9	-74.2	0	0	0	112.4	N104 G123	N104-F125 WeakPolarHBondContact CB-O 3.3Å; G123-F125 WeakPolarHBondContact O-CD2 3.23Å; G123-F125 PolarHBondContact O-N 3.33Å; G123-F125 VanDerWaalsContact O-N 3.11Å
126	E	76.8	Confident	87.4	Confident	114 Å²	114	30.7 Å²	30.7	53%	0.533	16%	0.161	S	C	.	.	B	Isolated β-bridge	trans	-113.4	139.5	178.4	-68.1	-176.6	-177.3	0	0	110.6	L80	L80-E126 HydrophobicContact CD1-CB 3.99Å; L80-E126 WeakPolarHBondContact CD1-OE2 3.34Å; L80-E126 HydrophobicContact CD2-CB 4.13Å
127	L	85.3	Confident	87.3	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.157	C	C	.	.			trans	-97.5	141.8	-179.7	-65.7	174.3	0	0	0	110.9	V102 I105 Q131 K132 I135	V102-L127 HydrophobicContact CB-CD1 4.22Å; V102-L127 HydrophobicContact CG1-CD1 3.58Å; V102-L127 WeakPolarHBondContact O-CD1 3.09Å; I105-L127 HydrophobicContact CG2-CD2 4.12Å; L127-Q131 HydrophobicContact CB-CB 3.96Å; L127-Q131 HydrophobicContact CD2-CB 4.22Å; L127-K132 HydrophobicContact CB-CG 3.89Å; L127-K132 WeakPolarHBondContact O-CE 3.29Å; L127-I135 HydrophobicContact CD1-CD1 4.01Å; L127-I135 HydrophobicContact CD2-CD1 4.23Å
128	T	84.6	Confident	87.5	Confident	13 Å²	13	27.2 Å²	27.2	8%	0.08	14%	0.142	C	C	.	.			trans	-67.9	157.7	173.4	71.6	0	0	0	0	110.5	Y79 L80 V130 Q131 K132 S180 M529	Y79-T128 HydrophobicContact CE1-CG2 4.49Å; L80-T128 HydrophobicContact CD2-CG2 4.37Å; T128-V130 VanDerWaalsContact C-N 3.29Å; T128-V130 PolarHBondContact O-N 3.05Å; T128-Q131 WeakPolarHBondContact O-CA 3.48Å; T128-Q131 VanDerWaalsContact O-CB 3.3Å; T128-Q131 WeakPolarHBondContact O-CB 3.32Å; T128-Q131 PolarHBondContact O-N 2.74Å; T128-Q131 VanDerWaalsContact OG1-CG 3.26Å; T128-Q131 WeakPolarHBondContact OG1-CG 3.03Å; T128-Q131 PolarHBondContact OG1-OE1 3.47Å; T128-K132 WeakPolarHBondContact O-CG 3.39Å; T128-K132 PolarHBondContact O-N 2.97Å; T128-S180 VanDerWaalsContact CB-O 3.29Å; T128-S180 WeakPolarHBondContact CB-O 3.17Å; T128-S180 PolarHBondContact OG1-O 2.74Å; T128-M529 HydrophobicContact CG2-CE 4.48Å
129	P	84.3	Confident	87.5	Confident	10 Å²	10	27.5 Å²	27.5	7%	0.065	15%	0.145	C	C	.	.	H	α-helix	trans	-55.8	-39.6	-176.6	-27.4	34.3	0	0	0	114.7	S84 Q131 K132 H133 L360	S84-P129 WeakPolarHBondContact OG-CB 3.47Å; S84-P129 VanDerWaalsContact OG-CG 3.24Å; S84-P129 WeakPolarHBondContact OG-CG 3.43Å; P129-Q131 VanDerWaalsContact C-N 3.29Å; P129-Q131 PolarHBondContact O-N 2.89Å; P129-K132 PolarHBondContact O-N 2.91Å; P129-H133 PolarHBondContact O-CD2 3.32Å; P129-H133 PolarHBondContact O-N 2.99Å; P129-L360 HydrophobicContact CB-CD1 4.38Å; P129-L360 HydrophobicContact CB-CD2 4.29Å
130	V	87.2	Confident	87.6	Confident	1 Å²	1	30 Å²	30	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-63.3	-36.1	174.8	74.6	0	0	0	0	112.1	T128 A134 A176 S180 A185 F334 L360	T128-V130 VanDerWaalsContact C-N 3.29Å; T128-V130 PolarHBondContact O-N 3.05Å; V130-A134 WeakPolarHBondContact O-CB 3.16Å; V130-A134 PolarHBondContact O-N 3.22Å; V130-A176 HydrophobicContact CB-CB 4.46Å; V130-A176 HydrophobicContact CG2-CB 3.98Å; V130-S180 WeakPolarHBondContact CG1-O 3.39Å; V130-A185 HydrophobicContact CG1-CB 4.2Å; V130-A185 HydrophobicContact CG2-CB 4.5Å; V130-F334 HydrophobicContact CG2-CE1 4.35Å; V130-L360 HydrophobicContact CB-CD1 3.51Å; V130-L360 HydrophobicContact CG2-CD1 4.03Å
131	Q	92	Very high	87.7	Confident	6 Å²	6	27.2 Å²	27.2	3%	0.028	15%	0.146	C	C	.	.	H	α-helix	trans	-67.7	-47.1	176.6	-67.6	164.6	-1.2	0	0	110.8	L127 T128 P129 H133 A134 I135 G181 A185	L127-Q131 HydrophobicContact CB-CB 3.96Å; L127-Q131 HydrophobicContact CD2-CB 4.22Å; T128-Q131 WeakPolarHBondContact O-CA 3.48Å; T128-Q131 VanDerWaalsContact O-CB 3.3Å; T128-Q131 WeakPolarHBondContact O-CB 3.32Å; T128-Q131 PolarHBondContact O-N 2.74Å; T128-Q131 VanDerWaalsContact OG1-CG 3.26Å; T128-Q131 WeakPolarHBondContact OG1-CG 3.03Å; T128-Q131 PolarHBondContact OG1-OE1 3.47Å; P129-Q131 VanDerWaalsContact C-N 3.29Å; P129-Q131 PolarHBondContact O-N 2.89Å; Q131-H133 VanDerWaalsContact C-N 3.28Å; Q131-H133 PolarHBondContact O-N 3.34Å; Q131-A134 PolarHBondContact O-N 3.25Å; Q131-I135 HydrophobicContact CB-CD1 3.87Å; Q131-I135 WeakPolarHBondContact O-CB 3.32Å; Q131-I135 WeakPolarHBondContact O-CD1 2.94Å; Q131-I135 WeakPolarHBondContact O-CG1 3.24Å; Q131-I135 PolarHBondContact O-N 3.43Å; Q131-G181 WeakPolarHBondContact CG-O 3.1Å; Q131-G181 PolarHBondContact NE2-O 3.26Å; Q131-G181 VanDerWaalsContact NE2-O 3.08Å; Q131-A185 HydrophobicContact CB-CB 4.39Å; Q131-A185 HydrophobicContact CG-CB 3.86Å
132	K	90.4	Very high	87.8	Confident	50 Å²	50	27 Å²	27	22%	0.217	14%	0.137	C	C	.	.	H	α-helix	trans	-52.9	-46.8	-179.2	-59.7	-170.6	-179.4	-178.4	0	112.2	I101 V102 L127 T128 P129	I101-K132 HydrophobicContact CG2-CB 4.01Å; V102-K132 PolarHBondContact N-O 3.16Å; V102-K132 VanDerWaalsContact O-CA 3.25Å; V102-K132 WeakPolarHBondContact O-CA 3.32Å; V102-K132 WeakPolarHBondContact O-CB 3.48Å; V102-K132 VanDerWaalsContact O-CG 3.25Å; V102-K132 WeakPolarHBondContact O-CG 3.14Å; L127-K132 HydrophobicContact CB-CG 3.89Å; L127-K132 WeakPolarHBondContact O-CE 3.29Å; T128-K132 WeakPolarHBondContact O-CG 3.39Å; T128-K132 PolarHBondContact O-N 2.97Å; P129-K132 PolarHBondContact O-N 2.91Å
133	H	91.1	Very high	87.8	Confident	24 Å²	24	30.2 Å²	30.2	11%	0.111	15%	0.148	C	C	.	.	H	α-helix	trans	-81.6	-48	-177.6	-66.5	-69.9	0	0	0	113.1	A86 Y99 P129 Q131 I135 G136 I137 L358	A86-H133 VanDerWaalsContact CB-CD2 3.48Å; A86-H133 WeakPolarHBondContact CB-CD2 3.49Å; A86-H133 VanDerWaalsContact CB-NE2 3.28Å; A86-H133 WeakPolarHBondContact CB-NE2 3.47Å; Y99-H133 AromaticContact CE2-ND1 3.84Å; Y99-H133 AromaticContact CZ-ND1 3.7Å; Y99-H133 PolarHBondContact OH-CE1 3.49Å; Y99-H133 PolarHBondContact OH-ND1 3.13Å; P129-H133 PolarHBondContact O-CD2 3.32Å; P129-H133 PolarHBondContact O-N 2.99Å; Q131-H133 VanDerWaalsContact C-N 3.28Å; Q131-H133 PolarHBondContact O-N 3.34Å; H133-I135 PolarHBondContact O-N 3.48Å; H133-G136 PolarHBondContact O-N 3.4Å; H133-I137 WeakPolarHBondContact O-CD1 3.49Å; H133-I137 VanDerWaalsContact O-CG1 3.3Å; H133-I137 WeakPolarHBondContact O-CG1 3.3Å; H133-I137 PolarHBondContact O-N 2.9Å; H133-L358 HydrophobicContact CB-CD1 3.9Å; H133-L358 HydrophobicContact CB-CD2 3.82Å
134	A	93	Very high	88	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.5	-37.6	-176.2	0	0	0	0	0	112.3	V130 Q131 L138 L172 A185 F334 L358	V130-A134 WeakPolarHBondContact O-CB 3.16Å; V130-A134 PolarHBondContact O-N 3.22Å; Q131-A134 PolarHBondContact O-N 3.25Å; A134-L138 WeakPolarHBondContact O-CB 3.45Å; A134-L138 VanDerWaalsContact O-CG 3.23Å; A134-L138 WeakPolarHBondContact O-CG 3.49Å; A134-L138 PolarHBondContact O-N 3.36Å; A134-L172 HydrophobicContact CB-CD2 3.63Å; A134-A185 HydrophobicContact CB-CB 3.95Å; A134-F334 HydrophobicContact CB-CZ 4.41Å; A134-L358 HydrophobicContact CB-CD2 4.31Å
135	I	94.2	Very high	88	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-47.7	177.4	-64.2	169.2	0	0	0	109.8	V102 I108 L127 Q131 H133 S139 I188	V102-I135 HydrophobicContact CG2-CB 4.49Å; V102-I135 HydrophobicContact CG2-CG2 4.11Å; I108-I135 HydrophobicContact CG1-CG2 4.27Å; I108-I135 HydrophobicContact CG2-CG2 4.37Å; L127-I135 HydrophobicContact CD1-CD1 4.01Å; L127-I135 HydrophobicContact CD2-CD1 4.23Å; Q131-I135 HydrophobicContact CB-CD1 3.87Å; Q131-I135 WeakPolarHBondContact O-CB 3.32Å; Q131-I135 WeakPolarHBondContact O-CD1 2.94Å; Q131-I135 WeakPolarHBondContact O-CG1 3.24Å; Q131-I135 PolarHBondContact O-N 3.43Å; H133-I135 PolarHBondContact O-N 3.48Å; I135-S139 WeakPolarHBondContact O-CB 3.24Å; I135-S139 PolarHBondContact O-N 3.09Å; I135-S139 PolarHBondContact O-OG 2.9Å; I135-I188 HydrophobicContact CD1-CB 4.22Å; I135-I188 HydrophobicContact CD1-CD1 3.74Å; I135-I188 HydrophobicContact CD1-CG2 4.2Å; I135-I188 HydrophobicContact CG1-CB 4.34Å; I135-I188 HydrophobicContact CG1-CG2 4.41Å; I135-I188 HydrophobicContact CG2-CG2 4.14Å
136	G	91.1	Very high	88.2	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-55.6	-52.9	175.7	0	0	0	0	0	113	E100 H133 S139	E100-G136 VanDerWaalsContact O-CA 3.24Å; E100-G136 WeakPolarHBondContact O-CA 3.18Å; H133-G136 PolarHBondContact O-N 3.4Å; G136-S139 PolarHBondContact O-N 2.8Å
137	I	91.9	Very high	87.6	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.2	-48.3	-179.2	-65.6	164	0	0	0	111.7	L88 Y99 H133 S139 L140 F170 L172 I356	L88-I137 HydrophobicContact CD1-CD1 4.49Å; L88-I137 HydrophobicContact CD2-CD1 3.81Å; Y99-I137 HydrophobicContact CD1-CG1 4.42Å; Y99-I137 HydrophobicContact CD2-CG1 3.77Å; Y99-I137 HydrophobicContact CE2-CD1 4.32Å; Y99-I137 HydrophobicContact CE2-CG1 3.93Å; Y99-I137 HydrophobicContact CG-CG1 4.02Å; H133-I137 WeakPolarHBondContact O-CD1 3.49Å; H133-I137 VanDerWaalsContact O-CG1 3.3Å; H133-I137 WeakPolarHBondContact O-CG1 3.3Å; H133-I137 PolarHBondContact O-N 2.9Å; I137-S139 PolarHBondContact O-N 3.26Å; I137-L140 PolarHBondContact O-N 2.92Å; I137-F170 HydrophobicContact CG2-CB 4.46Å; I137-L172 HydrophobicContact CD1-CD1 4.19Å; I137-L172 HydrophobicContact CG2-CD1 4.19Å; I137-I356 HydrophobicContact CD1-CG2 4.17Å; I137-I356 HydrophobicContact CG2-CB 4.44Å; I137-I356 HydrophobicContact CG2-CD1 3.72Å
138	L	94.9	Very high	86.5	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-71.8	-18	-176	-70.8	172.9	0	0	0	112.9	A134 L172 P189 R193 Q330 A332	A134-L138 WeakPolarHBondContact O-CB 3.45Å; A134-L138 VanDerWaalsContact O-CG 3.23Å; A134-L138 WeakPolarHBondContact O-CG 3.49Å; A134-L138 PolarHBondContact O-N 3.36Å; L138-L172 HydrophobicContact CD1-CD2 3.9Å; L138-L172 HydrophobicContact CD2-CB 3.67Å; L138-L172 HydrophobicContact CD2-CD2 4.19Å; L138-L172 HydrophobicContact CG-CB 4.27Å; L138-L172 HydrophobicContact CG-CD2 3.87Å; L138-P189 HydrophobicContact CB-CB 3.72Å; L138-P189 HydrophobicContact CB-CG 3.58Å; L138-P189 HydrophobicContact CD1-CG 3.81Å; L138-P189 HydrophobicContact CG-CG 4.36Å; L138-R193 PolarHBondContact O-NH2 3.15Å; L138-Q330 HydrophobicContact CD2-CG 4.39Å; L138-Q330 PolarHBondContact O-NE2 3.48Å; L138-A332 HydrophobicContact CD2-CB 4.14Å
139	S	93.9	Very high	85.1	Confident	11 Å²	11	47.5 Å²	47.5	8%	0.077	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-8.1	179.2	-59.3	0	0	0	0	113.7	I135 G136 I137 D141	I135-S139 WeakPolarHBondContact O-CB 3.24Å; I135-S139 PolarHBondContact O-N 3.09Å; I135-S139 PolarHBondContact O-OG 2.9Å; G136-S139 PolarHBondContact O-N 2.8Å; I137-S139 PolarHBondContact O-N 3.26Å; S139-D141 PolarHBondContact O-N 3.31Å; S139-D141 VanDerWaalsContact O-N 3.15Å
140	L	92.1	Very high	83.5	Confident	53 Å²	53	51.4 Å²	51.4	28%	0.277	25%	0.247	S	C	.	.			trans	-68.1	110.9	171.7	-64.5	174.7	0	0	0	108.6	I137 G168 K169 F170	I137-L140 PolarHBondContact O-N 2.92Å; L140-G168 CarbonylContact O-C 3.52Å; L140-G168 WeakPolarHBondContact O-CA 3.32Å; L140-K169 HydrophobicContact CB-CB 4.1Å; L140-K169 WeakPolarHBondContact O-CB 3.5Å; L140-K169 PolarHBondContact O-N 3.27Å; L140-F170 HydrophobicContact CB-CD2 4.32Å; L140-F170 HydrophobicContact CD1-CD2 3.74Å; L140-F170 HydrophobicContact CD1-CE2 3.71Å
141	D	91.7	Very high	81.6	Confident	27 Å²	27	57.3 Å²	57.3	14%	0.144	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	149.6	-175.1	-70.5	-33.2	0	0	0	111.8	S139 Y143 V166 T167 R193 R196	S139-D141 PolarHBondContact O-N 3.31Å; S139-D141 VanDerWaalsContact O-N 3.15Å; D141-Y143 HydrophobicContact CB-CE2 3.97Å; D141-V166 HydrophobicContact CB-CG1 3.77Å; D141-T167 CarbonylContact C-O 3.59Å; D141-T167 WeakPolarHBondContact CA-O 3.43Å; D141-R193 IonicContact OD1-CZ 3.63Å; D141-R193 IonicContact OD1-NE 3.42Å; D141-R193 PolarHBondContact OD1-NE 3.01Å; D141-R193 IonicContact OD1-NH2 2.81Å; D141-R193 PolarHBondContact OD1-NH2 2.82Å; D141-R196 IonicContact OD2-CZ 3Å; D141-R196 IonicContact OD2-NH1 3.96Å; D141-R196 IonicContact OD2-NH2 3.22Å; D141-R196 PolarHBondContact OD2-NH2 3.01Å
142	E	88.8	Confident	79.1	Confident	43 Å²	43	64.3 Å²	64.3	20%	0.201	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.2	164.5	-78.3	-179.4	163.8	0	0	109.7	V166 T167 K169 N327	E142-V166 WeakPolarHBondContact O-CA 3.28Å; E142-T167 PolarHBondContact N-O 3.1Å; E142-T167 PolarHBondContact O-N 3.04Å; E142-K169 HydrophobicContact CG-CB 3.79Å; E142-K169 HydrophobicContact CG-CD 4Å; E142-K169 HydrophobicContact CG-CG 3.84Å; E142-K169 WeakPolarHBondContact OE1-CD 3.17Å; E142-K169 VanDerWaalsContact OE1-CE 3.29Å; E142-K169 WeakPolarHBondContact OE1-CE 3.49Å; E142-K169 VanDerWaalsContact OE1-CG 3.31Å; E142-K169 WeakPolarHBondContact OE1-CG 3.34Å; E142-N327 WeakPolarHBondContact CB-ND2 3.13Å; E142-N327 PolarHBondContact OE2-ND2 3.25Å; E142-N327 PolarHBondContact OE2-OD1 2.99Å
143	Y	88.1	Confident	76.9	Confident	101 Å²	101	66.9 Å²	66.9	40%	0.396	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131	-174	-62.6	-102.4	0	0	0	109	K110 D141 V166 R196	K110-Y143 PolarHBondContact NZ-OH 3.11Å; D141-Y143 HydrophobicContact CB-CE2 3.97Å; Y143-V166 HydrophobicContact CD1-CG1 4.5Å; Y143-V166 HydrophobicContact CD1-CG2 3.59Å; Y143-V166 HydrophobicContact CE1-CG1 4.28Å; Y143-V166 HydrophobicContact CE1-CG2 3.68Å; Y143-V166 HydrophobicContact CG-CG2 4.46Å; Y143-R196 PolarHBondContact OH-NH2 3.43Å
144	E	85.1	Confident	74.5	Confident	76 Å²	76	72.9 Å²	72.9	36%	0.355	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.2	176.6	-175.8	-169.8	178.2	0	0	108.1	V146 E164 R165	E144-V146 PolarHBondContact O-N 3.4Å; E144-E164 CarbonylContact O-C 3.57Å; E144-E164 WeakPolarHBondContact O-CA 2.87Å; E144-R165 HydrophobicContact CB-CB 4.4Å; E144-R165 PolarHBondContact N-O 2.94Å; E144-R165 PolarHBondContact O-N 3.49Å; E144-R165 IonicContact OE1-NH1 2.79Å; E144-R165 PolarHBondContact OE1-NH1 3.39Å; E144-R165 IonicContact OE2-CZ 3.58Å; E144-R165 IonicContact OE2-NH1 3.75Å; E144-R165 PolarHBondContact OE2-NH1 2.89Å
145	K	79.4	Confident	71.7	Confident	152 Å²	152	80 Å²	80	66%	0.661	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	126.3	172.1	-68.7	-173.7	177.8	-174.9	0	108.7	E164	K145-E164 HydrophobicContact CG-CG 4.34Å
146	V	75.8	Confident	68.9	Low	24 Å²	24	84.3 Å²	84.3	15%	0.145	43%	0.431	C	S	.	.			trans	-114.6	119.5	178.2	-177.1	0	0	0	0	108.5	E144 V148 Y163 R165	E144-V146 PolarHBondContact O-N 3.4Å; V146-V148 HydrophobicContact CB-CG2 4.31Å; V146-V148 HydrophobicContact CG1-CG2 3.84Å; V146-V148 PolarHBondContact O-N 2.77Å; V146-Y163 HydrophobicContact CB-CD1 4.1Å; V146-Y163 HydrophobicContact CB-CE1 4.49Å; V146-Y163 PolarHBondContact N-O 2.87Å; V146-R165 HydrophobicContact CG2-CB 3.61Å; V146-R165 VanDerWaalsContact CG2-CZ 3.5Å
147	D	65.8	Low	66.2	Low	161 Å²	161	89.7 Å²	89.7	86%	0.861	46%	0.464	S	S	*	.			trans	-72	94.8	171.2	-65.7	-29.1	0	0	0	108.9
148	V	61.9	Low	63.6	Low	54 Å²	54	98 Å²	98	33%	0.327	51%	0.508	S	S	.	.			trans	-91.7	112.3	175.7	-170.1	0	0	0	0	108.8	V146 I150 Y163 F200	V146-V148 HydrophobicContact CB-CG2 4.31Å; V146-V148 HydrophobicContact CG1-CG2 3.84Å; V146-V148 PolarHBondContact O-N 2.77Å; V148-I150 PolarHBondContact O-N 2.82Å; V148-Y163 HydrophobicContact CG2-CD1 3.81Å; V148-Y163 HydrophobicContact CG2-CG 4.44Å; V148-F200 HydrophobicContact CB-CE1 4.28Å; V148-F200 HydrophobicContact CG1-CD1 4.13Å; V148-F200 HydrophobicContact CG1-CE1 3.53Å; V148-F200 HydrophobicContact CG1-CZ 4.47Å; V148-F200 HydrophobicContact CG2-CD1 4.4Å; V148-F200 HydrophobicContact CG2-CE1 4.47Å
149	K	53.7	Low	61.2	Low	202 Å²	202	104.5 Å²	104.5	88%	0.878	54%	0.543	S	S	*	.			trans	-66.6	102.8	166.5	-65.2	-172.6	179.7	-173.2	0	107.9
150	I	51.8	Low	58.9	Low	93 Å²	93	110.1 Å²	110.1	48%	0.477	57%	0.572	S	S	.	*			trans	-78.6	119.6	169.3	-57.5	174.6	0	0	0	105.8	V148 E152 F200	V148-I150 PolarHBondContact O-N 2.82Å; I150-E152 PolarHBondContact O-N 2.83Å; I150-E152 VanDerWaalsContact O-N 3.17Å; I150-F200 HydrophobicContact CG1-CZ 4.41Å
151	D	47.2	Very low	56.7	Low	124 Å²	124	112.7 Å²	112.7	66%	0.663	59%	0.593	S	S	*	*			trans	-54.3	123.6	173.1	-82.3	-23.3	0	0	0	109	S153	D151-S153 PolarHBondContact O-N 3.01Å
152	E	39.5	Very low	55	Low	154 Å²	154	115.9 Å²	115.9	72%	0.72	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-64.8	-0.9	-165.8	-61.7	177.3	153.5	0	0	114.6	I150 N154	I150-E152 PolarHBondContact O-N 2.83Å; I150-E152 VanDerWaalsContact O-N 3.17Å; E152-N154 VanDerWaalsContact C-N 3.32Å; E152-N154 PolarHBondContact O-N 3.15Å
153	S	43.5	Very low	54.2	Low	104 Å²	104	116 Å²	116	73%	0.727	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-80.2	-3.8	-175.9	57	0	0	0	0	115.3	D151	D151-S153 PolarHBondContact O-N 3.01Å
154	N	40.4	Very low	53.8	Low	149 Å²	149	114.7 Å²	114.7	80%	0.797	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-119.8	26.3	175.3	-78.8	-35.9	0	0	0	113.3	E152 S156	E152-N154 VanDerWaalsContact C-N 3.32Å; E152-N154 PolarHBondContact O-N 3.15Å; N154-S156 PolarHBondContact O-N 3.05Å; N154-S156 VanDerWaalsContact O-N 3.12Å
155	Q	35.4	Very low	53.9	Low	150 Å²	150	112.7 Å²	112.7	70%	0.701	60%	0.6	S	S	*	*			trans	-70	105.5	177.1	-76.3	175.8	2.7	0	0	111.9
156	S	35.2	Very low	54.4	Low	90 Å²	90	106 Å²	106	63%	0.629	57%	0.572	S	S	*	*			trans	-123.2	117.6	143.6	58.1	0	0	0	0	107.6	N154	N154-S156 PolarHBondContact O-N 3.05Å; N154-S156 VanDerWaalsContact O-N 3.12Å
157	T	34.3	Very low	55.2	Low	115 Å²	115	105 Å²	105	71%	0.706	57%	0.566	S	S	*	*			trans	72.4	125.4	161.8	58.1	0	0	0	0	118.8	D159	T157-D159 PolarHBondContact O-N 3.41Å
158	D	37.3	Very low	56.4	Low	173 Å²	173	97.3 Å²	97.3	93%	0.925	53%	0.525	S	S	*	.	S	Bend	trans	-54.6	18.9	-178.7	-86	-41.6	0	0	0	118
159	D	44.2	Very low	57.9	Low	139 Å²	139	98.6 Å²	98.6	74%	0.743	53%	0.526	S	S	*	.			trans	-115.8	18.7	-165.9	-75.5	-34.7	0	0	0	115.4	T157 P161	T157-D159 PolarHBondContact O-N 3.41Å; D159-P161 VanDerWaalsContact O-CD 3.24Å; D159-P161 WeakPolarHBondContact O-CD 3.2Å
160	N	45.3	Very low	59.7	Low	128 Å²	128	89.8 Å²	89.8	68%	0.684	49%	0.488	S	S	*	.			trans	-86.3	112	177.1	-75.8	-41.7	0	0	0	111
161	P	47.1	Very low	61.8	Low	108 Å²	108	85.4 Å²	85.4	70%	0.701	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-60.5	146	178.5	24.7	-33.3	0	0	0	110.7	D159 Y163	D159-P161 VanDerWaalsContact O-CD 3.24Å; D159-P161 WeakPolarHBondContact O-CD 3.2Å; P161-Y163 PolarHBondContact O-N 3Å
162	P	55.1	Low	64	Low	94 Å²	94	79.5 Å²	79.5	61%	0.61	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-56.7	133.5	178.8	23.2	-32.6	0	0	0	110.2	E164	P162-E164 PolarHBondContact O-N 3.02Å
163	Y	72.5	Confident	66.6	Low	44 Å²	44	72.4 Å²	72.4	17%	0.173	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-67.8	120.4	177.2	167.8	-106.7	0	0	0	110.1	V146 V148 P161 R165 Y198 F200 E201	V146-Y163 HydrophobicContact CB-CD1 4.1Å; V146-Y163 HydrophobicContact CB-CE1 4.49Å; V146-Y163 PolarHBondContact N-O 2.87Å; V148-Y163 HydrophobicContact CG2-CD1 3.81Å; V148-Y163 HydrophobicContact CG2-CG 4.44Å; P161-Y163 PolarHBondContact O-N 3Å; Y163-R165 HydrophobicContact CE1-CB 4.35Å; Y163-Y198 VanDerWaalsContact CE2-O 3.28Å; Y163-Y198 WeakPolarHBondContact CE2-O 3.38Å; Y163-F200 HydrophobicContact CD1-CB 4.28Å; Y163-F200 HydrophobicContact CD2-CB 3.49Å; Y163-F200 VanDerWaalsContact CD2-CB 3.49Å; Y163-F200 HydrophobicContact CD2-CG 4.22Å; Y163-F200 HydrophobicContact CE1-CB 4.2Å; Y163-F200 HydrophobicContact CE2-CB 3.41Å; Y163-F200 VanDerWaalsContact CE2-CB 3.41Å; Y163-F200 HydrophobicContact CG-CB 3.94Å; Y163-F200 HydrophobicContact CG-CG 4.3Å; Y163-E201 HydrophobicContact CE1-CG 3.86Å
164	E	80.2	Confident	68.8	Low	74 Å²	74	67.5 Å²	67.5	35%	0.346	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122.9	172.6	-64.4	-171.4	159.2	0	0	109.9	E144 K145 P162	E144-E164 CarbonylContact O-C 3.57Å; E144-E164 WeakPolarHBondContact O-CA 2.87Å; K145-E164 HydrophobicContact CG-CG 4.34Å; P162-E164 PolarHBondContact O-N 3.02Å
165	R	86	Confident	70.9	Confident	35 Å²	35	61.3 Å²	61.3	13%	0.132	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.7	169.7	-175.9	-172.7	-62.8	133.6	0.2	107.9	E144 V146 Y163 E201	E144-R165 HydrophobicContact CB-CB 4.4Å; E144-R165 PolarHBondContact N-O 2.94Å; E144-R165 PolarHBondContact O-N 3.49Å; E144-R165 IonicContact OE1-NH1 2.79Å; E144-R165 PolarHBondContact OE1-NH1 3.39Å; E144-R165 IonicContact OE2-CZ 3.58Å; E144-R165 IonicContact OE2-NH1 3.75Å; E144-R165 PolarHBondContact OE2-NH1 2.89Å; V146-R165 HydrophobicContact CG2-CB 3.61Å; V146-R165 VanDerWaalsContact CG2-CZ 3.5Å; Y163-R165 HydrophobicContact CE1-CB 4.35Å; R165-E201 IonicContact CZ-OE1 3.13Å; R165-E201 IonicContact CZ-OE2 3.77Å; R165-E201 IonicContact NE-OE1 2.75Å; R165-E201 IonicContact NE-OE2 3.55Å; R165-E201 PolarHBondContact NE-OE2 3.36Å; R165-E201 IonicContact NH2-OE1 2.83Å; R165-E201 PolarHBondContact NH2-OE1 2.86Å; R165-E201 IonicContact NH2-OE2 2.89Å
166	V	90.3	Very high	72.8	Confident	10 Å²	10	54.6 Å²	54.6	6%	0.061	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.6	178.5	-173.4	0	0	0	0	109.6	D141 E142 Y143 R193 V197	D141-V166 HydrophobicContact CB-CG1 3.77Å; E142-V166 WeakPolarHBondContact O-CA 3.28Å; Y143-V166 HydrophobicContact CD1-CG1 4.5Å; Y143-V166 HydrophobicContact CD1-CG2 3.59Å; Y143-V166 HydrophobicContact CE1-CG1 4.28Å; Y143-V166 HydrophobicContact CE1-CG2 3.68Å; Y143-V166 HydrophobicContact CG-CG2 4.46Å; V166-R193 HydrophobicContact CG1-CG 4.33Å; V166-V197 HydrophobicContact CB-CB 4.4Å; V166-V197 HydrophobicContact CB-CG1 4.08Å; V166-V197 HydrophobicContact CB-CG2 3.69Å; V166-V197 HydrophobicContact CG1-CG2 4.22Å; V166-V197 HydrophobicContact CG2-CB 4.34Å; V166-V197 HydrophobicContact CG2-CG1 3.88Å; V166-V197 HydrophobicContact CG2-CG2 3.51Å
167	T	91.9	Very high	74.4	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.018	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	157.7	173	60.8	0	0	0	0	109.9	D141 E142 R291 N327	D141-T167 CarbonylContact C-O 3.59Å; D141-T167 WeakPolarHBondContact CA-O 3.43Å; E142-T167 PolarHBondContact N-O 3.1Å; E142-T167 PolarHBondContact O-N 3.04Å; T167-R291 HydrophobicContact CG2-CB 4.23Å; T167-R291 HydrophobicContact CG2-CG 4.42Å; T167-N327 WeakPolarHBondContact CG2-O 3.48Å; T167-N327 PolarHBondContact OG1-O 3.38Å
168	G	92.7	Very high	75.8	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	138.1	173.5	0	0	0	0	0	111.4	L140 R351	L140-G168 CarbonylContact O-C 3.52Å; L140-G168 WeakPolarHBondContact O-CA 3.32Å; G168-R351 PolarHBondContact O-NH1 3.01Å; G168-R351 PolarHBondContact O-NH2 3.31Å
169	K	91.9	Very high	77.1	Confident	81 Å²	81	44.1 Å²	44.1	35%	0.352	24%	0.242	S	C	.	.	S	Bend	trans	-60.9	-44.3	179.4	-177.5	157.5	-171.2	176.2	0	112.8	L140 E142 R351	L140-K169 HydrophobicContact CB-CB 4.1Å; L140-K169 WeakPolarHBondContact O-CB 3.5Å; L140-K169 PolarHBondContact O-N 3.27Å; E142-K169 HydrophobicContact CG-CB 3.79Å; E142-K169 HydrophobicContact CG-CD 4Å; E142-K169 HydrophobicContact CG-CG 3.84Å; E142-K169 WeakPolarHBondContact OE1-CD 3.17Å; E142-K169 VanDerWaalsContact OE1-CE 3.29Å; E142-K169 WeakPolarHBondContact OE1-CE 3.49Å; E142-K169 VanDerWaalsContact OE1-CG 3.31Å; E142-K169 WeakPolarHBondContact OE1-CG 3.34Å; K169-R351 PolarHBondContact O-NH1 3.35Å; K169-R351 PolarHBondContact O-NH2 3.42Å
170	F	92.8	Very high	78.4	Confident	18 Å²	18	37.7 Å²	37.7	8%	0.079	21%	0.208	C	C	.	.	S	Bend	trans	-116.1	142.4	-176.2	-58	-65.8	0	0	0	111.8	P92 F97 I137 L140 Q330 R351 N354 I356	P92-F170 HydrophobicContact CB-CD1 4Å; P92-F170 HydrophobicContact CB-CE1 3.52Å; P92-F170 HydrophobicContact CB-CZ 4.16Å; P92-F170 HydrophobicContact CG-CD1 3.77Å; P92-F170 HydrophobicContact CG-CE1 3.69Å; F97-F170 HydrophobicContact CD2-CZ 4.5Å; F97-F170 HydrophobicContact CE2-CD2 4.3Å; F97-F170 AromaticContact CE2-CE2 3.69Å; F97-F170 HydrophobicContact CE2-CE2 3.69Å; F97-F170 AromaticContact CE2-CZ 3.86Å; F97-F170 HydrophobicContact CE2-CZ 3.86Å; F97-F170 HydrophobicContact CZ-CE2 4.43Å; I137-F170 HydrophobicContact CG2-CB 4.46Å; L140-F170 HydrophobicContact CB-CD2 4.32Å; L140-F170 HydrophobicContact CD1-CD2 3.74Å; L140-F170 HydrophobicContact CD1-CE2 3.71Å; F170-Q330 WeakPolarHBondContact O-CG 3.36Å; F170-Q330 PolarHBondContact O-NE2 2.83Å; F170-R351 VanDerWaalsContact C-NH2 3.29Å; F170-N354 CarbonylContact C-O 3.54Å; F170-N354 VanDerWaalsContact CA-O 3.25Å; F170-N354 WeakPolarHBondContact CA-O 3.33Å; F170-N354 HydrophobicContact CD1-CB 4.3Å; F170-I356 HydrophobicContact CB-CD1 3.7Å; F170-I356 HydrophobicContact CB-CG1 4.26Å; F170-I356 HydrophobicContact CD1-CD1 4.06Å; F170-I356 HydrophobicContact CD1-CG1 4.44Å; F170-I356 HydrophobicContact CD2-CD1 3.76Å; F170-I356 HydrophobicContact CE2-CD1 4.4Å; F170-I356 HydrophobicContact CG-CD1 3.55Å; F170-I356 HydrophobicContact CG-CG1 4.3Å
171	D	95	Very high	80.1	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	152.3	162.9	-79.9	10.8	0	0	0	109.8	Q330 T331 L350 R351 N354 C355 I356	D171-Q330 WeakPolarHBondContact OD1-CA 3.41Å; D171-T331 VanDerWaalsContact CA-O 3.27Å; D171-T331 WeakPolarHBondContact CA-O 3.3Å; D171-T331 WeakPolarHBondContact CB-O 3.48Å; D171-T331 PolarHBondContact OD1-N 2.88Å; D171-L350 HydrophobicContact CB-CB 4.08Å; D171-L350 HydrophobicContact CB-CD2 3.7Å; D171-L350 WeakPolarHBondContact OD2-CA 3.01Å; D171-R351 IonicContact OD1-CZ 3.63Å; D171-R351 VanDerWaalsContact OD1-CZ 3.25Å; D171-R351 IonicContact OD1-NE 3.92Å; D171-R351 PolarHBondContact OD1-NE 3.25Å; D171-R351 IonicContact OD1-NH2 3.95Å; D171-R351 PolarHBondContact OD1-NH2 3.29Å; D171-R351 PolarHBondContact OD2-N 3.33Å; D171-R351 IonicContact OD2-NE 3.32Å; D171-N354 PolarHBondContact N-O 3.49Å; D171-C355 HydrophobicContact CB-CB 4.21Å; D171-C355 WeakPolarHBondContact O-CA 3.48Å; D171-I356 PolarHBondContact O-N 3.33Å
172	L	94.3	Very high	82.1	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.3	-177.3	-177.1	67	0	0	0	111	A134 I137 L138 A174 T331 A332 L333 F334 I356 L358	A134-L172 HydrophobicContact CB-CD2 3.63Å; I137-L172 HydrophobicContact CD1-CD1 4.19Å; I137-L172 HydrophobicContact CG2-CD1 4.19Å; L138-L172 HydrophobicContact CD1-CD2 3.9Å; L138-L172 HydrophobicContact CD2-CB 3.67Å; L138-L172 HydrophobicContact CD2-CD2 4.19Å; L138-L172 HydrophobicContact CG-CB 4.27Å; L138-L172 HydrophobicContact CG-CD2 3.87Å; L172-A174 HydrophobicContact CD2-CB 4.11Å; L172-A174 HydrophobicContact CG-CB 4.12Å; L172-T331 PolarHBondContact N-O 3.13Å; L172-T331 VanDerWaalsContact N-O 3.1Å; L172-A332 HydrophobicContact CB-CB 4.35Å; L172-A332 CarbonylContact O-C 3.51Å; L172-A332 VanDerWaalsContact O-CA 3.27Å; L172-A332 WeakPolarHBondContact O-CA 3.48Å; L172-L333 PolarHBondContact O-N 2.87Å; L172-F334 HydrophobicContact CD2-CE2 4.5Å; L172-F334 HydrophobicContact CD2-CZ 3.94Å; L172-I356 CarbonylContact C-O 3.47Å; L172-I356 WeakPolarHBondContact CA-O 3.47Å; L172-L358 HydrophobicContact CD1-CB 3.9Å
173	M	92.9	Very high	83.9	Confident	6 Å²	6	25 Å²	25	3%	0.03	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	106.2	167.5	-172.9	176.5	78.8	0	0	108	L333 Y338 A346 I356 S357 L358 P372 W374	M173-L333 CarbonylContact C-O 3.54Å; M173-L333 WeakPolarHBondContact CA-O 3.27Å; M173-L333 HydrophobicContact CG-CD2 4.29Å; M173-Y338 HydrophobicContact CE-CD1 4.17Å; M173-Y338 HydrophobicContact CE-CE1 3.8Å; M173-Y338 HydrophobicContact CG-CE1 3.45Å; M173-Y338 VanDerWaalsContact CG-CE1 3.45Å; M173-Y338 HydrophobicContact SD-CD1 4.08Å; M173-Y338 HydrophobicContact SD-CE1 3.48Å; M173-Y338 WeakPolarHBondContact SD-CE1 3.44Å; M173-A346 HydrophobicContact SD-CB 3.88Å; M173-I356 PolarHBondContact N-O 3.4Å; M173-S357 WeakPolarHBondContact CE-OG 3.41Å; M173-S357 CarbonylContact O-C 3.57Å; M173-S357 VanDerWaalsContact O-CA 3.27Å; M173-S357 WeakPolarHBondContact O-CA 3.4Å; M173-L358 PolarHBondContact O-N 3.38Å; M173-P372 HydrophobicContact CE-CB 3.96Å; M173-P372 HydrophobicContact CE-CG 4.22Å; M173-W374 HydrophobicContact SD-CE3 4.41Å; M173-W374 HydrophobicContact SD-CZ3 4.49Å
174	A	90.7	Very high	84.9	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124.7	-170.6	0	0	0	0	0	112.8	L172 L333 F334 S335 Y338 L358	L172-A174 HydrophobicContact CD2-CB 4.11Å; L172-A174 HydrophobicContact CG-CB 4.12Å; A174-L333 PolarHBondContact N-O 3.17Å; A174-F334 HydrophobicContact CB-CD1 3.6Å; A174-F334 HydrophobicContact CB-CE1 3.48Å; A174-F334 VanDerWaalsContact CB-CE1 3.48Å; A174-F334 HydrophobicContact CB-CG 4.3Å; A174-F334 HydrophobicContact CB-CZ 4.07Å; A174-F334 WeakPolarHBondContact O-CA 3.18Å; A174-S335 PolarHBondContact O-N 3.39Å; A174-S335 VanDerWaalsContact O-N 3.14Å; A174-Y338 PolarHBondContact O-OH 3.35Å; A174-Y338 VanDerWaalsContact O-OH 3.08Å; A174-L358 WeakPolarHBondContact CA-O 3.35Å; A174-L358 HydrophobicContact CB-CB 4.38Å; A174-L358 HydrophobicContact CB-CD2 4.38Å
175	T	84.6	Confident	85.6	Confident	19 Å²	19	20.2 Å²	20.2	12%	0.117	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	113.1	176.6	94.2	0	0	0	0	108.6	S335 Y338 L358 T359 P372	T175-S335 WeakPolarHBondContact CA-O 3.18Å; T175-Y338 HydrophobicContact CG2-CD2 3.68Å; T175-Y338 HydrophobicContact CG2-CE2 2.96Å; T175-Y338 VanDerWaalsContact CG2-CZ 3.47Å; T175-Y338 PolarHBondContact N-OH 2.99Å; T175-L358 WeakPolarHBondContact CG2-O 3.5Å; T175-L358 PolarHBondContact N-O 3.15Å; T175-T359 HydrophobicContact CG2-CG2 4.44Å; T175-T359 WeakPolarHBondContact CG2-OG1 3.27Å; T175-T359 WeakPolarHBondContact OG1-CA 3.43Å; T175-T359 WeakPolarHBondContact OG1-CG2 3.47Å; T175-P372 HydrophobicContact CG2-CG 3.81Å
176	A	75.5	Confident	86	Confident	10 Å²	10	18.6 Å²	18.6	8%	0.083	11%	0.108	C	C	.	.			trans	-158.6	142	177	0	0	0	0	0	111.6	V130 K182 S335	V130-A176 HydrophobicContact CB-CB 4.46Å; V130-A176 HydrophobicContact CG2-CB 3.98Å; A176-K182 HydrophobicContact CB-CD 3.84Å; A176-K182 HydrophobicContact CB-CG 3.8Å; A176-K182 WeakPolarHBondContact O-CD 3.46Å; A176-K182 VanDerWaalsContact O-CE 3.3Å; A176-K182 WeakPolarHBondContact O-CE 3.2Å; A176-K182 PolarHBondContact O-NZ 3.04Å; A176-S335 PolarHBondContact N-O 3.22Å; A176-S335 VanDerWaalsContact N-O 3.12Å
177	Q	67.8	Low	86.4	Confident	87 Å²	87	18.1 Å²	18.1	41%	0.407	11%	0.105	S	C	.	.			trans	-71.1	161.7	179.3	-67.6	180	-13.4	0	0	112.1	S180 K182 I392	Q177-S180 WeakPolarHBondContact O-CB 3.43Å; Q177-S180 PolarHBondContact O-N 2.99Å; Q177-S180 PolarHBondContact O-OG 3.32Å; Q177-K182 VanDerWaalsContact O-CE 3.31Å; Q177-K182 WeakPolarHBondContact O-CE 3.39Å; Q177-I392 PolarHBondContact NE2-O 3.46Å
178	T	63.8	Low	86.6	Confident	41 Å²	41	18 Å²	18	25%	0.252	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	140.4	173	53.8	0	0	0	0	110.9	S180 R528	T178-S180 VanDerWaalsContact C-N 3.34Å; T178-R528 PolarHBondContact OG1-NH2 3.47Å
179	G	65.5	Low	86.7	Confident	29 Å²	29	18 Å²	18	30%	0.299	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	-21.5	-177.3	0	0	0	0	0	114.3	G181 M529	G179-G181 PolarHBondContact O-N 3.26Å; G179-M529 VanDerWaalsContact C-SD 3.57Å; G179-M529 WeakPolarHBondContact O-CE 3.41Å
180	S	71.6	Confident	87	Confident	5 Å²	5	14.4 Å²	14.4	4%	0.035	9%	0.09	C	C	.	.	S	Bend	trans	-62.7	-2.7	-178.6	58.9	0	0	0	0	116.2	T128 V130 Q177 T178	T128-S180 VanDerWaalsContact CB-O 3.29Å; T128-S180 WeakPolarHBondContact CB-O 3.17Å; T128-S180 PolarHBondContact OG1-O 2.74Å; V130-S180 WeakPolarHBondContact CG1-O 3.39Å; Q177-S180 WeakPolarHBondContact O-CB 3.43Å; Q177-S180 PolarHBondContact O-N 2.99Å; Q177-S180 PolarHBondContact O-OG 3.32Å; T178-S180 VanDerWaalsContact C-N 3.34Å
181	G	81.1	Confident	87.2	Confident	19 Å²	19	13.6 Å²	13.6	20%	0.196	9%	0.086	C	C	.	.	S	Bend	trans	91.9	14.8	-179.5	0	0	0	0	0	115.3	Q131 G179 T183 L184 A185	Q131-G181 WeakPolarHBondContact CG-O 3.1Å; Q131-G181 PolarHBondContact NE2-O 3.26Å; Q131-G181 VanDerWaalsContact NE2-O 3.08Å; G179-G181 PolarHBondContact O-N 3.26Å; G181-T183 PolarHBondContact O-N 3.1Å; G181-T183 VanDerWaalsContact O-N 3.16Å; G181-L184 PolarHBondContact O-N 3.03Å; G181-A185 PolarHBondContact O-N 3.31Å
182	K	88.8	Confident	87.2	Confident	12 Å²	12	13.7 Å²	13.7	5%	0.052	9%	0.086	C	C	.	.	H	α-helix	trans	-45.9	-43.2	177.9	-71.1	-175.3	-77.8	-168.5	0	114	A176 Q177 L184 A185 Y186 F334	A176-K182 HydrophobicContact CB-CD 3.84Å; A176-K182 HydrophobicContact CB-CG 3.8Å; A176-K182 WeakPolarHBondContact O-CD 3.46Å; A176-K182 VanDerWaalsContact O-CE 3.3Å; A176-K182 WeakPolarHBondContact O-CE 3.2Å; A176-K182 PolarHBondContact O-NZ 3.04Å; Q177-K182 VanDerWaalsContact O-CE 3.31Å; Q177-K182 WeakPolarHBondContact O-CE 3.39Å; K182-L184 PolarHBondContact O-N 3.13Å; K182-A185 WeakPolarHBondContact O-CA 3.34Å; K182-A185 WeakPolarHBondContact O-CB 3.33Å; K182-A185 PolarHBondContact O-N 3.37Å; K182-Y186 WeakPolarHBondContact O-CD1 3.37Å; K182-Y186 WeakPolarHBondContact O-CE1 3.32Å; K182-Y186 PolarHBondContact O-N 2.81Å; K182-F334 HydrophobicContact CB-CD1 4.07Å; K182-F334 HydrophobicContact CB-CE1 4.49Å; K182-F334 HydrophobicContact CD-CB 4.21Å; K182-F334 HydrophobicContact CD-CD1 3.94Å; K182-F334 HydrophobicContact CG-CD1 3.89Å; K182-F334 HydrophobicContact CG-CE1 4.46Å
183	T	91.9	Very high	87.2	Confident	33 Å²	33	14.2 Å²	14.2	20%	0.202	9%	0.088	C	C	.	.	H	α-helix	trans	-56.1	-52.3	-175.3	-56.9	0	0	0	0	112.3	G181 A185 Y186 L187 I231 E234	G181-T183 PolarHBondContact O-N 3.1Å; G181-T183 VanDerWaalsContact O-N 3.16Å; T183-A185 VanDerWaalsContact C-N 3.28Å; T183-A185 PolarHBondContact O-N 2.8Å; T183-Y186 WeakPolarHBondContact O-CD2 3.19Å; T183-Y186 WeakPolarHBondContact O-CE2 3.44Å; T183-L187 HydrophobicContact CG2-CD1 3.62Å; T183-L187 HydrophobicContact CG2-CG 4.21Å; T183-L187 VanDerWaalsContact O-CB 3.27Å; T183-L187 WeakPolarHBondContact O-CB 3.39Å; T183-L187 WeakPolarHBondContact O-CG 3.41Å; T183-L187 PolarHBondContact O-N 3.48Å; T183-I231 HydrophobicContact CG2-CB 4.34Å; T183-I231 HydrophobicContact CG2-CG1 3.86Å; T183-I231 HydrophobicContact CG2-CG2 4.36Å; T183-E234 HydrophobicContact CG2-CB 4.33Å; T183-E234 HydrophobicContact CG2-CG 4.37Å
184	L	93.8	Very high	87.3	Confident	17 Å²	17	14.4 Å²	14.4	9%	0.089	9%	0.089	C	C	.	.	H	α-helix	trans	-70.2	-28.4	177.8	-66.8	172.4	0	0	0	112.4	M122 L124 G181 K182 Y186 L187 I188 E234	M122-L184 HydrophobicContact CE-CD1 4.35Å; M122-L184 HydrophobicContact CE-CD2 4.04Å; L124-L184 HydrophobicContact CD1-CD1 3.54Å; L124-L184 HydrophobicContact CD2-CD1 3.84Å; L124-L184 HydrophobicContact CG-CD1 4.32Å; G181-L184 PolarHBondContact O-N 3.03Å; K182-L184 PolarHBondContact O-N 3.13Å; L184-Y186 VanDerWaalsContact C-N 3.28Å; L184-Y186 PolarHBondContact O-N 3.47Å; L184-L187 PolarHBondContact O-N 3Å; L184-I188 HydrophobicContact CB-CD1 4.05Å; L184-I188 HydrophobicContact CB-CG1 4.43Å; L184-I188 WeakPolarHBondContact O-CB 3.44Å; L184-I188 VanDerWaalsContact O-CG1 3.27Å; L184-I188 WeakPolarHBondContact O-CG1 3.37Å; L184-I188 PolarHBondContact O-N 2.59Å; L184-E234 HydrophobicContact CD2-CB 4.43Å
185	A	94.1	Very high	87.5	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-58.7	-37.5	179.9	0	0	0	0	0	112.6	V130 Q131 A134 G181 K182 T183 P189	V130-A185 HydrophobicContact CG1-CB 4.2Å; V130-A185 HydrophobicContact CG2-CB 4.5Å; Q131-A185 HydrophobicContact CB-CB 4.39Å; Q131-A185 HydrophobicContact CG-CB 3.86Å; A134-A185 HydrophobicContact CB-CB 3.95Å; G181-A185 PolarHBondContact O-N 3.31Å; K182-A185 WeakPolarHBondContact O-CA 3.34Å; K182-A185 WeakPolarHBondContact O-CB 3.33Å; K182-A185 PolarHBondContact O-N 3.37Å; T183-A185 VanDerWaalsContact C-N 3.28Å; T183-A185 PolarHBondContact O-N 2.8Å; A185-P189 VanDerWaalsContact O-CD 3.28Å; A185-P189 WeakPolarHBondContact O-CD 3.28Å; A185-P189 WeakPolarHBondContact O-CG 3.41Å
186	Y	95.8	Very high	87.8	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-96.3	-30	172.8	60.9	-108.8	0	0	0	114.1	K182 T183 L184 T190 I220 I231 I294 D296 F334	K182-Y186 WeakPolarHBondContact O-CD1 3.37Å; K182-Y186 WeakPolarHBondContact O-CE1 3.32Å; K182-Y186 PolarHBondContact O-N 2.81Å; T183-Y186 WeakPolarHBondContact O-CD2 3.19Å; T183-Y186 WeakPolarHBondContact O-CE2 3.44Å; L184-Y186 VanDerWaalsContact C-N 3.28Å; L184-Y186 PolarHBondContact O-N 3.47Å; Y186-T190 VanDerWaalsContact O-CB 3.25Å; Y186-T190 WeakPolarHBondContact O-CB 3.45Å; Y186-T190 PolarHBondContact O-N 3.15Å; Y186-T190 PolarHBondContact O-OG1 3.39Å; Y186-I220 HydrophobicContact CD2-CD1 4.34Å; Y186-I220 HydrophobicContact CE2-CD1 3.76Å; Y186-I220 HydrophobicContact CE2-CG1 4.34Å; Y186-I231 WeakPolarHBondContact OH-CD1 3.4Å; Y186-I231 WeakPolarHBondContact OH-CG1 3.4Å; Y186-I294 HydrophobicContact CD1-CG2 4.04Å; Y186-I294 HydrophobicContact CD2-CG1 4.18Å; Y186-I294 HydrophobicContact CD2-CG2 3.98Å; Y186-I294 HydrophobicContact CE1-CG2 4.19Å; Y186-I294 HydrophobicContact CE2-CG2 4.2Å; Y186-I294 HydrophobicContact CG-CG1 4.37Å; Y186-I294 HydrophobicContact CG-CG2 3.93Å; Y186-D296 HydrophobicContact CE1-CB 4.22Å; Y186-D296 WeakPolarHBondContact CE1-OD2 3.39Å; Y186-D296 PolarHBondContact OH-OD2 3.25Å; Y186-F334 AromaticContact CD1-CD2 3.71Å; Y186-F334 HydrophobicContact CD1-CD2 3.71Å; Y186-F334 HydrophobicContact CD1-CE1 4.4Å; Y186-F334 AromaticContact CD1-CE2 3.56Å; Y186-F334 HydrophobicContact CD1-CE2 3.56Å; Y186-F334 HydrophobicContact CD1-CG 4.22Å; Y186-F334 AromaticContact CD1-CZ 3.92Å; Y186-F334 HydrophobicContact CD1-CZ 3.92Å; Y186-F334 HydrophobicContact CE1-CD2 4.38Å; Y186-F334 HydrophobicContact CG-CD2 4.49Å; Y186-F334 HydrophobicContact CG-CE2 4.03Å; Y186-F334 HydrophobicContact CG-CZ 4.45Å
187	L	97.1	Very high	88.5	Confident	0 Å²	0	17 Å²	17	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-66.1	-44.5	-178.4	-78.6	-176.3	0	0	0	111.7	T183 L184 T190 F191 I220 I231 E234 L235 L238 F268	T183-L187 HydrophobicContact CG2-CD1 3.62Å; T183-L187 HydrophobicContact CG2-CG 4.21Å; T183-L187 VanDerWaalsContact O-CB 3.27Å; T183-L187 WeakPolarHBondContact O-CB 3.39Å; T183-L187 WeakPolarHBondContact O-CG 3.41Å; T183-L187 PolarHBondContact O-N 3.48Å; L184-L187 PolarHBondContact O-N 3Å; L187-T190 PolarHBondContact O-N 3.5Å; L187-F191 WeakPolarHBondContact O-CB 3.3Å; L187-F191 PolarHBondContact O-N 3.26Å; L187-I220 HydrophobicContact CD2-CD1 3.55Å; L187-I231 HydrophobicContact CD1-CG2 4.31Å; L187-I231 HydrophobicContact CD2-CG2 4.32Å; L187-E234 HydrophobicContact CD1-CB 4.09Å; L187-L235 HydrophobicContact CD1-CB 4.3Å; L187-L235 HydrophobicContact CD2-CD1 4.25Å; L187-L238 HydrophobicContact CB-CD1 3.86Å; L187-L238 HydrophobicContact CD1-CD1 4.36Å; L187-F268 HydrophobicContact CD2-CZ 4.24Å
188	I	96.2	Very high	89.6	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-56.2	-58.7	-177.6	-70.8	171.5	0	0	0	111.7	I108 L119 I135 L184 T190 F191 N192	I108-I188 HydrophobicContact CD1-CG2 3.7Å; I108-I188 HydrophobicContact CG1-CG2 4.48Å; I108-I188 HydrophobicContact CG2-CG2 4.42Å; L119-I188 HydrophobicContact CD1-CD1 4.43Å; L119-I188 HydrophobicContact CD2-CD1 3.9Å; L119-I188 HydrophobicContact CD2-CG1 4.03Å; I135-I188 HydrophobicContact CD1-CB 4.22Å; I135-I188 HydrophobicContact CD1-CD1 3.74Å; I135-I188 HydrophobicContact CD1-CG2 4.2Å; I135-I188 HydrophobicContact CG1-CB 4.34Å; I135-I188 HydrophobicContact CG1-CG2 4.41Å; I135-I188 HydrophobicContact CG2-CG2 4.14Å; L184-I188 HydrophobicContact CB-CD1 4.05Å; L184-I188 HydrophobicContact CB-CG1 4.43Å; L184-I188 WeakPolarHBondContact O-CB 3.44Å; L184-I188 VanDerWaalsContact O-CG1 3.27Å; L184-I188 WeakPolarHBondContact O-CG1 3.37Å; L184-I188 PolarHBondContact O-N 2.59Å; I188-T190 PolarHBondContact O-N 3.17Å; I188-F191 PolarHBondContact O-N 3.13Å; I188-N192 WeakPolarHBondContact O-CB 3.34Å; I188-N192 PolarHBondContact O-N 3.14Å
189	P	96.3	Very high	91	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.013	8%	0.075	C	C	.	.	H	α-helix	trans	-66	-38.9	-177.7	24.3	-34.6	0	0	0	112.1	L138 A185 R193	L138-P189 HydrophobicContact CB-CB 3.72Å; L138-P189 HydrophobicContact CB-CG 3.58Å; L138-P189 HydrophobicContact CD1-CG 3.81Å; L138-P189 HydrophobicContact CG-CG 4.36Å; A185-P189 VanDerWaalsContact O-CD 3.28Å; A185-P189 WeakPolarHBondContact O-CD 3.28Å; A185-P189 WeakPolarHBondContact O-CG 3.41Å; P189-R193 PolarHBondContact O-N 3.02Å; P189-R193 VanDerWaalsContact O-N 3.1Å
190	T	96.6	Very high	92.2	Very high	5 Å²	5	12.9 Å²	12.9	3%	0.031	7%	0.068	C	C	.	.	H	α-helix	trans	-63.9	-47.3	179.8	-55.7	0	0	0	0	111.4	Y186 L187 I188 L194 F268 I294	Y186-T190 VanDerWaalsContact O-CB 3.25Å; Y186-T190 WeakPolarHBondContact O-CB 3.45Å; Y186-T190 PolarHBondContact O-N 3.15Å; Y186-T190 PolarHBondContact O-OG1 3.39Å; L187-T190 PolarHBondContact O-N 3.5Å; I188-T190 PolarHBondContact O-N 3.17Å; T190-L194 PolarHBondContact O-N 2.93Å; T190-F268 HydrophobicContact CG2-CE2 3.83Å; T190-F268 HydrophobicContact CG2-CZ 3.8Å; T190-I294 HydrophobicContact CG2-CD1 4.15Å
191	F	96.8	Very high	93.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-72.6	-38.3	-179.3	-172.7	-104.6	0	0	0	111.9	L115 L187 I188 R193 L194 L195 L235 L238 C239 T242 V244	L115-F191 HydrophobicContact CD1-CD1 3.93Å; L115-F191 HydrophobicContact CD1-CE1 4.37Å; L115-F191 HydrophobicContact CD2-CD1 4.43Å; L187-F191 WeakPolarHBondContact O-CB 3.3Å; L187-F191 PolarHBondContact O-N 3.26Å; I188-F191 PolarHBondContact O-N 3.13Å; F191-R193 VanDerWaalsContact C-N 3.3Å; F191-R193 PolarHBondContact O-N 2.81Å; F191-L194 PolarHBondContact O-N 3.42Å; F191-L194 VanDerWaalsContact O-N 3.16Å; F191-L195 HydrophobicContact CD1-CD1 3.93Å; F191-L195 HydrophobicContact CD1-CG 4.15Å; F191-L195 HydrophobicContact CE1-CD1 3.43Å; F191-L195 VanDerWaalsContact CE1-CD1 3.43Å; F191-L195 HydrophobicContact CE1-CD2 4.13Å; F191-L195 HydrophobicContact CE1-CG 3.77Å; F191-L195 HydrophobicContact CE2-CD2 4.48Å; F191-L195 HydrophobicContact CZ-CD1 4.06Å; F191-L195 HydrophobicContact CZ-CD2 3.88Å; F191-L195 HydrophobicContact CZ-CG 3.99Å; F191-L195 PolarHBondContact O-N 3.01Å; F191-L235 HydrophobicContact CD2-CD1 4.02Å; F191-L235 HydrophobicContact CE2-CD1 4.46Å; F191-L238 HydrophobicContact CD1-CB 3.87Å; F191-L238 HydrophobicContact CE1-CB 3.89Å; F191-L238 WeakPolarHBondContact CE1-O 2.95Å; F191-L238 HydrophobicContact CG-CB 4.37Å; F191-L238 HydrophobicContact CZ-CB 4.45Å; F191-L238 WeakPolarHBondContact CZ-O 3.16Å; F191-C239 WeakPolarHBondContact CE2-SG 3.47Å; F191-C239 HydrophobicContact CZ-CB 4.42Å; F191-T242 HydrophobicContact CE1-CG2 4.44Å; F191-T242 HydrophobicContact CZ-CG2 4.06Å; F191-V244 HydrophobicContact CD2-CG1 4.49Å; F191-V244 HydrophobicContact CE2-CB 3.78Å; F191-V244 HydrophobicContact CE2-CG1 3.79Å; F191-V244 HydrophobicContact CE2-CG2 3.84Å; F191-V244 HydrophobicContact CZ-CB 4.31Å; F191-V244 HydrophobicContact CZ-CG2 4.23Å
192	N	96.2	Very high	93.7	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.011	7%	0.066	C	C	.	.	H	α-helix	trans	-55.8	-46.3	174.4	-170.3	41.4	0	0	0	111.4	P109 K110 V111 D112 L115 I188 L194 L195 R196	P109-N192 PolarHBondContact O-ND2 3.43Å; K110-N192 PolarHBondContact O-ND2 2.8Å; V111-N192 WeakPolarHBondContact CA-OD1 3.29Å; D112-N192 PolarHBondContact N-OD1 2.67Å; L115-N192 HydrophobicContact CD2-CB 3.51Å; I188-N192 WeakPolarHBondContact O-CB 3.34Å; I188-N192 PolarHBondContact O-N 3.14Å; N192-L194 PolarHBondContact O-N 3.26Å; N192-L195 PolarHBondContact O-N 3.18Å; N192-R196 WeakPolarHBondContact O-CG 2.94Å; N192-R196 PolarHBondContact O-N 3.19Å
193	R	94.9	Very high	93.9	Very high	11 Å²	11	13 Å²	13	4%	0.042	6%	0.064	C	C	.	.	H	α-helix	trans	-60.8	-45	176.3	-173	-179.9	-61.1	110.2	3.1	112	L138 D141 V166 P189 F191 L195 R196 V197	L138-R193 PolarHBondContact O-NH2 3.15Å; D141-R193 IonicContact OD1-CZ 3.63Å; D141-R193 IonicContact OD1-NE 3.42Å; D141-R193 PolarHBondContact OD1-NE 3.01Å; D141-R193 IonicContact OD1-NH2 2.81Å; D141-R193 PolarHBondContact OD1-NH2 2.82Å; V166-R193 HydrophobicContact CG1-CG 4.33Å; P189-R193 PolarHBondContact O-N 3.02Å; P189-R193 VanDerWaalsContact O-N 3.1Å; F191-R193 VanDerWaalsContact C-N 3.3Å; F191-R193 PolarHBondContact O-N 2.81Å; R193-L195 VanDerWaalsContact C-N 3.29Å; R193-L195 PolarHBondContact O-N 3.22Å; R193-R196 PolarHBondContact O-N 3.18Å; R193-V197 HydrophobicContact CG-CG2 4.43Å; R193-V197 WeakPolarHBondContact O-CB 3.42Å; R193-V197 PolarHBondContact O-N 3.22Å
194	L	94.5	Very high	93.8	Very high	10 Å²	10	14.3 Å²	14.3	5%	0.052	7%	0.068	C	C	.	.	H	α-helix	trans	-62.7	-34	178.6	-178.2	58.7	0	0	0	112.7	W50 T190 F191 N192 P199 V244 F268	W50-L194 HydrophobicContact CH2-CD1 4.17Å; W50-L194 HydrophobicContact CH2-CG 4.37Å; W50-L194 HydrophobicContact CZ2-CD1 3.78Å; W50-L194 HydrophobicContact CZ2-CG 3.9Å; W50-L194 WeakPolarHBondContact CZ2-O 3.38Å; W50-L194 PolarHBondContact NE1-O 3.49Å; T190-L194 PolarHBondContact O-N 2.93Å; F191-L194 PolarHBondContact O-N 3.42Å; F191-L194 VanDerWaalsContact O-N 3.16Å; N192-L194 PolarHBondContact O-N 3.26Å; L194-P199 HydrophobicContact CD1-CB 4.45Å; L194-P199 HydrophobicContact CD1-CG 4.28Å; L194-V244 HydrophobicContact CD2-CG1 3.71Å; L194-V244 HydrophobicContact CD2-CG2 4.19Å; L194-V244 HydrophobicContact CG-CG2 4.32Å; L194-F268 HydrophobicContact CD2-CD2 3.92Å
195	L	94.2	Very high	93.7	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-72.3	-40	174.7	-70.3	-175.2	0	0	0	112.8	D112 K114 L115 F191 N192 R193 T242 V244	D112-L195 HydrophobicContact CB-CB 3.9Å; D112-L195 HydrophobicContact CB-CD1 3.99Å; K114-L195 HydrophobicContact CB-CD1 4.39Å; L115-L195 HydrophobicContact CB-CD1 3.93Å; F191-L195 HydrophobicContact CD1-CD1 3.93Å; F191-L195 HydrophobicContact CD1-CG 4.15Å; F191-L195 HydrophobicContact CE1-CD1 3.43Å; F191-L195 VanDerWaalsContact CE1-CD1 3.43Å; F191-L195 HydrophobicContact CE1-CD2 4.13Å; F191-L195 HydrophobicContact CE1-CG 3.77Å; F191-L195 HydrophobicContact CE2-CD2 4.48Å; F191-L195 HydrophobicContact CZ-CD1 4.06Å; F191-L195 HydrophobicContact CZ-CD2 3.88Å; F191-L195 HydrophobicContact CZ-CG 3.99Å; F191-L195 PolarHBondContact O-N 3.01Å; N192-L195 PolarHBondContact O-N 3.18Å; R193-L195 VanDerWaalsContact C-N 3.29Å; R193-L195 PolarHBondContact O-N 3.22Å; L195-T242 HydrophobicContact CD1-CG2 4.37Å; L195-T242 HydrophobicContact CD2-CG2 3.92Å; L195-V244 HydrophobicContact CD2-CG2 3.77Å
196	R	91.7	Very high	93.6	Very high	54 Å²	54	15.1 Å²	15.1	20%	0.204	7%	0.074	C	C	.	.	H	α-helix	trans	-72.3	-30.8	-179.5	-79.2	176.7	32.4	-152	-11.9	113.8	K110 D112 D141 Y143 N192 R193	K110-R196 WeakPolarHBondContact O-CD 3.28Å; K110-R196 PolarHBondContact O-NH1 3.45Å; K110-R196 VanDerWaalsContact O-NH1 3.1Å; D112-R196 HydrophobicContact CB-CG 4.37Å; D141-R196 IonicContact OD2-CZ 3Å; D141-R196 IonicContact OD2-NH1 3.96Å; D141-R196 IonicContact OD2-NH2 3.22Å; D141-R196 PolarHBondContact OD2-NH2 3.01Å; Y143-R196 PolarHBondContact OH-NH2 3.43Å; N192-R196 WeakPolarHBondContact O-CG 2.94Å; N192-R196 PolarHBondContact O-N 3.19Å; R193-R196 PolarHBondContact O-N 3.18Å
197	V	89.1	Confident	93.3	Very high	27 Å²	27	18.5 Å²	18.5	16%	0.164	9%	0.092	C	C	.	.	S	Bend	trans	-121	107.9	-169	-176.2	0	0	0	0	108.4	V166 R193	V166-V197 HydrophobicContact CB-CB 4.4Å; V166-V197 HydrophobicContact CB-CG1 4.08Å; V166-V197 HydrophobicContact CB-CG2 3.69Å; V166-V197 HydrophobicContact CG1-CG2 4.22Å; V166-V197 HydrophobicContact CG2-CB 4.34Å; V166-V197 HydrophobicContact CG2-CG1 3.88Å; V166-V197 HydrophobicContact CG2-CG2 3.51Å; R193-V197 HydrophobicContact CG-CG2 4.43Å; R193-V197 WeakPolarHBondContact O-CB 3.42Å; R193-V197 PolarHBondContact O-N 3.22Å
198	Y	92.1	Very high	92.8	Very high	27 Å²	27	24.2 Å²	24.2	11%	0.106	12%	0.121	C	C	.	.			trans	-61.4	125.9	178.8	178.7	-106.8	0	0	0	110.3	I45 P47 W50 Y163 F200 M203	I45-Y198 WeakPolarHBondContact O-CE2 3.28Å; I45-Y198 PolarHBondContact O-OH 3.12Å; P47-Y198 HydrophobicContact CB-CD1 4.21Å; P47-Y198 HydrophobicContact CB-CD2 4.26Å; P47-Y198 HydrophobicContact CB-CE1 4.17Å; P47-Y198 HydrophobicContact CB-CE2 4.22Å; P47-Y198 HydrophobicContact CB-CG 4.24Å; P47-Y198 WeakPolarHBondContact CD-OH 3.46Å; P47-Y198 HydrophobicContact CG-CD1 4.06Å; P47-Y198 HydrophobicContact CG-CE1 3.59Å; P47-Y198 HydrophobicContact CG-CE2 4.19Å; W50-Y198 HydrophobicContact CB-CD2 3.7Å; W50-Y198 HydrophobicContact CB-CE2 3.94Å; W50-Y198 AromaticContact CD1-CD2 3.96Å; W50-Y198 HydrophobicContact CD2-CD2 4.05Å; W50-Y198 HydrophobicContact CD2-CE2 4.41Å; W50-Y198 AromaticContact CG-CD2 3.63Å; W50-Y198 HydrophobicContact CG-CD2 3.63Å; W50-Y198 HydrophobicContact CG-CE2 4.17Å; Y163-Y198 VanDerWaalsContact CE2-O 3.28Å; Y163-Y198 WeakPolarHBondContact CE2-O 3.38Å; Y198-F200 HydrophobicContact CD1-CB 3.91Å; Y198-F200 HydrophobicContact CD1-CD2 4.05Å; Y198-F200 HydrophobicContact CD1-CG 4.48Å; Y198-F200 HydrophobicContact CE1-CB 4.15Å; Y198-F200 AromaticContact CE1-CD2 3.89Å; Y198-F200 HydrophobicContact CE1-CD2 3.89Å; Y198-F200 HydrophobicContact CE1-CG 4.41Å; Y198-F200 PolarHBondContact O-N 2.95Å; Y198-M203 HydrophobicContact CE1-CB 4.18Å; Y198-M203 HydrophobicContact CE1-CG 4.18Å; Y198-M203 HydrophobicContact CE2-CE 4.47Å; Y198-M203 HydrophobicContact CE2-CG 3.97Å; Y198-M203 VanDerWaalsContact OH-CB 3.27Å; Y198-M203 WeakPolarHBondContact OH-CB 3.33Å; Y198-M203 WeakPolarHBondContact OH-CG 3.25Å
199	P	92.2	Very high	92.3	Very high	12 Å²	12	25.6 Å²	25.6	8%	0.078	13%	0.13	C	C	.	.			trans	-77.8	66.2	-176.1	32.1	-36.6	0	0	0	111.9	W50 L194 E201 A202 M203 S217	W50-P199 HydrophobicContact CH2-CG 3.91Å; W50-P199 HydrophobicContact CZ2-CG 3.99Å; W50-P199 HydrophobicContact CZ3-CG 4.41Å; L194-P199 HydrophobicContact CD1-CB 4.45Å; L194-P199 HydrophobicContact CD1-CG 4.28Å; P199-E201 PolarHBondContact O-N 2.74Å; P199-A202 HydrophobicContact CB-CB 4.37Å; P199-A202 PolarHBondContact O-N 2.73Å; P199-M203 HydrophobicContact CG-CE 3.76Å; P199-M203 HydrophobicContact CG-CG 4.12Å; P199-M203 VanDerWaalsContact O-CG 3.32Å; P199-M203 WeakPolarHBondContact O-CG 3.4Å; P199-M203 PolarHBondContact O-N 3.18Å; P199-S217 WeakPolarHBondContact CB-OG 3.25Å
200	F	91	Very high	91.6	Very high	32 Å²	32	37.6 Å²	37.6	14%	0.14	18%	0.175	C	C	.	.	H	α-helix	trans	-53.9	-50.2	-168.8	-171.1	-87.9	0	0	0	113.1	V148 I150 Y163 Y198 A202 M203 Q204	V148-F200 HydrophobicContact CB-CE1 4.28Å; V148-F200 HydrophobicContact CG1-CD1 4.13Å; V148-F200 HydrophobicContact CG1-CE1 3.53Å; V148-F200 HydrophobicContact CG1-CZ 4.47Å; V148-F200 HydrophobicContact CG2-CD1 4.4Å; V148-F200 HydrophobicContact CG2-CE1 4.47Å; I150-F200 HydrophobicContact CG1-CZ 4.41Å; Y163-F200 HydrophobicContact CD1-CB 4.28Å; Y163-F200 HydrophobicContact CD2-CB 3.49Å; Y163-F200 VanDerWaalsContact CD2-CB 3.49Å; Y163-F200 HydrophobicContact CD2-CG 4.22Å; Y163-F200 HydrophobicContact CE1-CB 4.2Å; Y163-F200 HydrophobicContact CE2-CB 3.41Å; Y163-F200 VanDerWaalsContact CE2-CB 3.41Å; Y163-F200 HydrophobicContact CG-CB 3.94Å; Y163-F200 HydrophobicContact CG-CG 4.3Å; Y198-F200 HydrophobicContact CD1-CB 3.91Å; Y198-F200 HydrophobicContact CD1-CD2 4.05Å; Y198-F200 HydrophobicContact CD1-CG 4.48Å; Y198-F200 HydrophobicContact CE1-CB 4.15Å; Y198-F200 AromaticContact CE1-CD2 3.89Å; Y198-F200 HydrophobicContact CE1-CD2 3.89Å; Y198-F200 HydrophobicContact CE1-CG 4.41Å; Y198-F200 PolarHBondContact O-N 2.95Å; F200-A202 VanDerWaalsContact C-N 3.31Å; F200-A202 PolarHBondContact O-N 2.89Å; F200-M203 PolarHBondContact O-N 2.96Å; F200-Q204 HydrophobicContact CD1-CG 3.72Å; F200-Q204 HydrophobicContact CE1-CG 3.36Å; F200-Q204 HydrophobicContact CE2-CG 4.42Å; F200-Q204 HydrophobicContact CG-CG 4.38Å; F200-Q204 HydrophobicContact CZ-CG 3.78Å; F200-Q204 WeakPolarHBondContact O-CG 3.26Å; F200-Q204 PolarHBondContact O-N 3.23Å
201	E	91	Very high	91.2	Very high	34 Å²	34	41 Å²	41	16%	0.159	20%	0.196	C	C	.	.	H	α-helix	trans	-60.9	-38.6	-176.7	-55.4	175.2	103.5	0	0	112.5	Y163 R165 P199 S205 F289 R291	Y163-E201 HydrophobicContact CE1-CG 3.86Å; R165-E201 IonicContact CZ-OE1 3.13Å; R165-E201 IonicContact CZ-OE2 3.77Å; R165-E201 IonicContact NE-OE1 2.75Å; R165-E201 IonicContact NE-OE2 3.55Å; R165-E201 PolarHBondContact NE-OE2 3.36Å; R165-E201 IonicContact NH2-OE1 2.83Å; R165-E201 PolarHBondContact NH2-OE1 2.86Å; R165-E201 IonicContact NH2-OE2 2.89Å; P199-E201 PolarHBondContact O-N 2.74Å; E201-S205 WeakPolarHBondContact O-CB 3.45Å; E201-S205 PolarHBondContact O-N 2.92Å; E201-S205 VanDerWaalsContact O-N 3.13Å; E201-S205 PolarHBondContact O-OG 3.38Å; E201-F289 HydrophobicContact CB-CD1 3.45Å; E201-F289 VanDerWaalsContact CB-CD1 3.45Å; E201-F289 HydrophobicContact CB-CE1 3.47Å; E201-F289 VanDerWaalsContact CB-CE1 3.47Å; E201-F289 HydrophobicContact CB-CG 4.08Å; E201-F289 HydrophobicContact CB-CZ 4.12Å; E201-F289 HydrophobicContact CG-CD1 4.41Å; E201-F289 HydrophobicContact CG-CE1 4.41Å; E201-R291 IonicContact OE1-NH2 3.15Å; E201-R291 IonicContact OE2-CZ 3.57Å; E201-R291 IonicContact OE2-NE 2.78Å; E201-R291 IonicContact OE2-NH2 2.85Å; E201-R291 PolarHBondContact OE2-NH2 3.48Å
202	A	93	Very high	90.8	Very high	4 Å²	4	45.4 Å²	45.4	3%	0.033	22%	0.219	C	C	.	.	H	α-helix	trans	-70.4	-43.2	177.4	0	0	0	0	0	111.5	P199 F200 S205 L206 F289	P199-A202 HydrophobicContact CB-CB 4.37Å; P199-A202 PolarHBondContact O-N 2.73Å; F200-A202 VanDerWaalsContact C-N 3.31Å; F200-A202 PolarHBondContact O-N 2.89Å; A202-S205 PolarHBondContact O-N 3.44Å; A202-L206 PolarHBondContact O-N 2.93Å; A202-F289 HydrophobicContact CB-CB 3.98Å; A202-F289 HydrophobicContact CB-CD2 3.96Å; A202-F289 HydrophobicContact CB-CG 4.21Å
203	M	92.7	Very high	90.7	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-66.2	-42.2	179.7	-66.3	-67.5	-175.6	0	0	112.1	Y44 I45 W50 Y198 P199 F200 S205 L206 L207 H267	Y44-M203 HydrophobicContact CD2-CB 4.04Å; Y44-M203 HydrophobicContact CD2-SD 4.25Å; Y44-M203 HydrophobicContact CE2-CB 4.16Å; I45-M203 HydrophobicContact CB-CE 4.25Å; W50-M203 HydrophobicContact CE3-CE 3.68Å; W50-M203 HydrophobicContact CH2-CE 4.05Å; W50-M203 HydrophobicContact CZ3-CE 3.31Å; Y198-M203 HydrophobicContact CE1-CB 4.18Å; Y198-M203 HydrophobicContact CE1-CG 4.18Å; Y198-M203 HydrophobicContact CE2-CE 4.47Å; Y198-M203 HydrophobicContact CE2-CG 3.97Å; Y198-M203 VanDerWaalsContact OH-CB 3.27Å; Y198-M203 WeakPolarHBondContact OH-CB 3.33Å; Y198-M203 WeakPolarHBondContact OH-CG 3.25Å; P199-M203 HydrophobicContact CG-CE 3.76Å; P199-M203 HydrophobicContact CG-CG 4.12Å; P199-M203 VanDerWaalsContact O-CG 3.32Å; P199-M203 WeakPolarHBondContact O-CG 3.4Å; P199-M203 PolarHBondContact O-N 3.18Å; F200-M203 PolarHBondContact O-N 2.96Å; M203-S205 VanDerWaalsContact C-N 3.31Å; M203-S205 PolarHBondContact O-N 2.98Å; M203-L206 WeakPolarHBondContact O-CB 3.3Å; M203-L206 PolarHBondContact O-N 3.25Å; M203-L206 HydrophobicContact SD-CD1 4.29Å; M203-L207 PolarHBondContact O-N 2.97Å; M203-L207 VanDerWaalsContact O-N 3.12Å; M203-H267 VanDerWaalsContact CE-NE2 3.28Å; M203-H267 WeakPolarHBondContact CE-NE2 3.43Å
204	Q	90.1	Very high	90.8	Very high	60 Å²	60	47.8 Å²	47.8	28%	0.28	23%	0.228	S	C	.	.	H	α-helix	trans	-63.3	-39.1	173.6	-69.5	-61	-8.3	0	0	111.9	F200 L206 L207 I208	F200-Q204 HydrophobicContact CD1-CG 3.72Å; F200-Q204 HydrophobicContact CE1-CG 3.36Å; F200-Q204 HydrophobicContact CE2-CG 4.42Å; F200-Q204 HydrophobicContact CG-CG 4.38Å; F200-Q204 HydrophobicContact CZ-CG 3.78Å; F200-Q204 WeakPolarHBondContact O-CG 3.26Å; F200-Q204 PolarHBondContact O-N 3.23Å; Q204-L206 VanDerWaalsContact C-N 3.28Å; Q204-L206 PolarHBondContact O-N 2.97Å; Q204-L207 WeakPolarHBondContact O-CB 3.27Å; Q204-L207 PolarHBondContact O-N 3.33Å; Q204-L207 VanDerWaalsContact O-N 3.16Å; Q204-I208 WeakPolarHBondContact O-CG1 3.12Å; Q204-I208 PolarHBondContact O-N 3.23Å
205	S	91.8	Very high	90.9	Very high	24 Å²	24	48.4 Å²	48.4	17%	0.168	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-32.1	176.7	-61.9	0	0	0	0	112.5	E201 A202 M203 S209 F289	E201-S205 WeakPolarHBondContact O-CB 3.45Å; E201-S205 PolarHBondContact O-N 2.92Å; E201-S205 VanDerWaalsContact O-N 3.13Å; E201-S205 PolarHBondContact O-OG 3.38Å; A202-S205 PolarHBondContact O-N 3.44Å; M203-S205 VanDerWaalsContact C-N 3.31Å; M203-S205 PolarHBondContact O-N 2.98Å; S205-S209 WeakPolarHBondContact O-CB 3.34Å; S205-S209 PolarHBondContact O-N 2.65Å; S205-F289 WeakPolarHBondContact OG-CE2 3.29Å; S205-F289 WeakPolarHBondContact OG-CZ 3.15Å
206	L	92.1	Very high	91	Very high	9 Å²	9	48.3 Å²	48.3	5%	0.047	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-41	171.3	-72	170.3	0	0	0	112.1	P41 A202 M203 Q204 R213 Y215	P41-L206 HydrophobicContact CG-CB 4.36Å; P41-L206 VanDerWaalsContact CG-O 3.25Å; P41-L206 WeakPolarHBondContact CG-O 3.03Å; A202-L206 PolarHBondContact O-N 2.93Å; M203-L206 WeakPolarHBondContact O-CB 3.3Å; M203-L206 PolarHBondContact O-N 3.25Å; M203-L206 HydrophobicContact SD-CD1 4.29Å; Q204-L206 VanDerWaalsContact C-N 3.28Å; Q204-L206 PolarHBondContact O-N 2.97Å; L206-R213 WeakPolarHBondContact CD2-O 3.14Å; L206-Y215 HydrophobicContact CD2-CD2 3.87Å; L206-Y215 HydrophobicContact CD2-CE2 4.42Å; L206-Y215 HydrophobicContact CG-CD2 4.07Å
207	L	88.8	Confident	91.2	Very high	72 Å²	72	46.2 Å²	46.2	38%	0.377	22%	0.223	S	C	.	.	H	α-helix	trans	-62.7	-43.1	177.2	-75.2	174.6	0	0	0	113	P41 Y44 M203 Q204	P41-L207 HydrophobicContact CG-CD2 4.2Å; Y44-L207 HydrophobicContact CD1-CD2 3.92Å; Y44-L207 HydrophobicContact CD2-CD1 3.99Å; Y44-L207 HydrophobicContact CD2-CD2 3.82Å; Y44-L207 HydrophobicContact CD2-CG 3.55Å; Y44-L207 HydrophobicContact CE1-CD2 3.86Å; Y44-L207 HydrophobicContact CE1-CG 4.45Å; Y44-L207 HydrophobicContact CE2-CD1 3.35Å; Y44-L207 HydrophobicContact CE2-CD2 3.82Å; Y44-L207 HydrophobicContact CE2-CG 3.47Å; Y44-L207 VanDerWaalsContact CE2-CG 3.47Å; Y44-L207 HydrophobicContact CG-CD2 3.87Å; Y44-L207 HydrophobicContact CG-CG 4.11Å; M203-L207 PolarHBondContact O-N 2.97Å; M203-L207 VanDerWaalsContact O-N 3.12Å; Q204-L207 WeakPolarHBondContact O-CB 3.27Å; Q204-L207 PolarHBondContact O-N 3.33Å; Q204-L207 VanDerWaalsContact O-N 3.16Å
208	I	87.7	Confident	91.6	Very high	120 Å²	120	45 Å²	45	62%	0.615	22%	0.216	S	C	*	.	H	α-helix	trans	-81.9	-29.7	-176.2	-60.9	165.2	0	0	0	111.2	Q204 R210	Q204-I208 WeakPolarHBondContact O-CG1 3.12Å; Q204-I208 PolarHBondContact O-N 3.23Å; I208-R210 PolarHBondContact O-N 3.43Å
209	S	85.3	Confident	91.9	Very high	28 Å²	28	43.8 Å²	43.8	20%	0.196	21%	0.211	C	C	.	.			trans	-63.6	124	-178.3	173.3	0	0	0	0	111.6	S205 T211	S205-S209 WeakPolarHBondContact O-CB 3.34Å; S205-S209 PolarHBondContact O-N 2.65Å; S209-T211 PolarHBondContact O-N 2.9Å; S209-T211 PolarHBondContact OG-N 2.91Å; S209-T211 PolarHBondContact OG-O 3.31Å; S209-T211 PolarHBondContact OG-OG1 3.42Å
210	R	82.3	Confident	92.2	Very high	255 Å²	255	43.2 Å²	43.2	96%	0.962	21%	0.208	S	C	*	.	S	Bend	trans	-79.9	-0.4	168.8	-60.1	-177.5	-178.7	178.6	-0.1	113.2	I208	I208-R210 PolarHBondContact O-N 3.43Å
211	T	87.1	Confident	92.5	Very high	76 Å²	76	41.7 Å²	41.7	47%	0.466	20%	0.201	S	C	.	.	S	Bend	trans	-110.7	157.3	-177.2	71.9	0	0	0	0	110.6	S209 R213	S209-T211 PolarHBondContact O-N 2.9Å; S209-T211 PolarHBondContact OG-N 2.91Å; S209-T211 PolarHBondContact OG-O 3.31Å; S209-T211 PolarHBondContact OG-OG1 3.42Å; T211-R213 PolarHBondContact O-N 3Å; T211-R213 VanDerWaalsContact O-N 3.09Å; T211-R213 WeakPolarHBondContact OG1-CB 3.31Å; T211-R213 PolarHBondContact OG1-N 3.49Å
212	L	89.4	Confident	92.8	Very high	93 Å²	93	40 Å²	40	49%	0.487	19%	0.193	S	C	.	.			trans	-73.3	9.2	173.6	-64.4	175.1	0	0	0	113.6	P42 Q214 N263	P42-L212 HydrophobicContact CG-CD2 4.25Å; L212-Q214 PolarHBondContact O-N 2.83Å; L212-Q214 PolarHBondContact O-NE2 2.96Å; L212-Q214 VanDerWaalsContact O-NE2 3.11Å; L212-N263 HydrophobicContact CD1-CB 4.43Å
213	R	93.8	Very high	92.7	Very high	60 Å²	60	40 Å²	40	23%	0.226	19%	0.192	C	C	.	.			trans	-59.1	131.6	-178.2	-172.4	-170.2	-68.9	154.8	-4	110.9	L206 T211 Y215 D283 C284	L206-R213 WeakPolarHBondContact CD2-O 3.14Å; T211-R213 PolarHBondContact O-N 3Å; T211-R213 VanDerWaalsContact O-N 3.09Å; T211-R213 WeakPolarHBondContact OG1-CB 3.31Å; T211-R213 PolarHBondContact OG1-N 3.49Å; R213-Y215 HydrophobicContact CG-CE2 4.49Å; R213-D283 IonicContact CZ-OD1 3.59Å; R213-D283 IonicContact CZ-OD2 2.83Å; R213-D283 PolarHBondContact NE-O 3.11Å; R213-D283 IonicContact NE-OD1 3.05Å; R213-D283 PolarHBondContact NE-OD1 2.98Å; R213-D283 IonicContact NE-OD2 3.56Å; R213-D283 IonicContact NH2-OD1 2.66Å; R213-D283 PolarHBondContact NH2-OD1 3.16Å; R213-D283 IonicContact NH2-OD2 2.94Å; R213-D283 PolarHBondContact NH2-OD2 3.21Å; R213-C284 WeakPolarHBondContact CA-O 3.38Å
214	Q	96.1	Very high	92.4	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.014	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-100.7	151.5	-179.3	-61.7	-60.4	-51.2	0	0	112.3	P42 L212 L262 G265 C266 C284 I285 S286	P42-Q214 PolarHBondContact O-NE2 2.99Å; L212-Q214 PolarHBondContact O-N 2.83Å; L212-Q214 PolarHBondContact O-NE2 2.96Å; L212-Q214 VanDerWaalsContact O-NE2 3.11Å; Q214-L262 WeakPolarHBondContact CG-O 3.28Å; Q214-G265 VanDerWaalsContact OE1-CA 3.22Å; Q214-C266 HydrophobicContact CB-CB 3.96Å; Q214-C266 HydrophobicContact CG-CB 4.05Å; Q214-C284 PolarHBondContact N-O 2.81Å; Q214-I285 WeakPolarHBondContact O-CA 3.3Å; Q214-S286 PolarHBondContact O-N 3.15Å
215	Y	96.7	Very high	92.2	Very high	22 Å²	22	39 Å²	39	9%	0.086	19%	0.187	C	C	.	.			trans	-127.9	73.3	-174.6	-64.6	-86.9	0	0	0	111.2	L206 R213 F289	L206-Y215 HydrophobicContact CD2-CD2 3.87Å; L206-Y215 HydrophobicContact CD2-CE2 4.42Å; L206-Y215 HydrophobicContact CG-CD2 4.07Å; R213-Y215 HydrophobicContact CG-CE2 4.49Å; Y215-F289 AromaticContact CD1-CD2 3.68Å; Y215-F289 HydrophobicContact CD1-CD2 3.68Å; Y215-F289 AromaticContact CD1-CE2 3.7Å; Y215-F289 HydrophobicContact CD1-CE2 3.7Å; Y215-F289 HydrophobicContact CE1-CD2 4.48Å; Y215-F289 HydrophobicContact CE1-CE2 4.06Å; Y215-F289 HydrophobicContact CG-CD2 4.12Å; Y215-F289 HydrophobicContact CG-CE2 4.31Å
216	P	97.1	Very high	91.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.184	C	C	.	.			trans	-63.1	139.6	-178.8	29.3	-38.4	0	0	0	112.1	V219 H267 I269 I285 S286 L287	P216-V219 HydrophobicContact CG-CG2 4.34Å; P216-H267 WeakPolarHBondContact CA-O 3.14Å; P216-I269 HydrophobicContact CB-CD1 4.06Å; P216-I269 HydrophobicContact CB-CG1 3.87Å; P216-I269 HydrophobicContact CG-CD1 3.69Å; P216-I269 HydrophobicContact CG-CG1 4.08Å; P216-I285 HydrophobicContact CG-CG2 4.04Å; P216-S286 WeakPolarHBondContact CD-O 3.46Å; P216-L287 HydrophobicContact CG-CD2 4.07Å
217	S	96.1	Very high	91.5	Very high	10 Å²	10	38.7 Å²	38.7	7%	0.07	18%	0.183	C	C	.	.	S	Bend	trans	-82.1	-21.5	175.9	-52.9	0	0	0	0	112.6	P199 H267 R291 S292	P199-S217 WeakPolarHBondContact CB-OG 3.25Å; S217-H267 PolarHBondContact N-O 3.25Å; S217-R291 PolarHBondContact O-N 3.04Å; S217-S292 PolarHBondContact O-N 2.92Å
218	S	97.6	Very high	91.7	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.1	-179.4	-50.4	0	0	0	0	111.9	I269 S292	S218-I269 PolarHBondContact O-N 2.54Å; S218-S292 CarbonylContact C-O 3.48Å; S218-S292 VanDerWaalsContact CA-O 3.29Å; S218-S292 WeakPolarHBondContact CA-O 3.24Å
219	V	98.2	Very high	91.7	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	127.7	177.6	177.2	0	0	0	0	109.8	P216 L221 I269 L276 L287 S292 L293 I294	P216-V219 HydrophobicContact CG-CG2 4.34Å; V219-L221 HydrophobicContact CG1-CD2 3.84Å; V219-L221 HydrophobicContact CG1-CG 4.26Å; V219-I269 CarbonylContact C-O 3.55Å; V219-I269 WeakPolarHBondContact CA-O 3.33Å; V219-I269 HydrophobicContact CG2-CB 4.34Å; V219-L276 HydrophobicContact CG1-CD2 3.97Å; V219-L287 HydrophobicContact CG2-CD2 3.84Å; V219-S292 PolarHBondContact N-O 3.49Å; V219-L293 HydrophobicContact CB-CD1 4.4Å; V219-L293 HydrophobicContact CG1-CD1 4.41Å; V219-L293 WeakPolarHBondContact O-CA 3.45Å; V219-I294 PolarHBondContact O-N 2.94Å
220	I	98.4	Very high	91.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.4	168.7	-62.1	163.3	0	0	0	108.3	Y186 L187 V222 I231 F268 I269 V270 A271 I294	Y186-I220 HydrophobicContact CD2-CD1 4.34Å; Y186-I220 HydrophobicContact CE2-CD1 3.76Å; Y186-I220 HydrophobicContact CE2-CG1 4.34Å; L187-I220 HydrophobicContact CD2-CD1 3.55Å; I220-V222 HydrophobicContact CG2-CG1 3.76Å; I220-I231 HydrophobicContact CD1-CG2 3.81Å; I220-I231 HydrophobicContact CG2-CD1 4.22Å; I220-F268 HydrophobicContact CD1-CE1 3.45Å; I220-F268 VanDerWaalsContact CD1-CE1 3.45Å; I220-F268 HydrophobicContact CD1-CZ 3.97Å; I220-F268 HydrophobicContact CG1-CE1 3.82Å; I220-F268 HydrophobicContact CG1-CZ 4.42Å; I220-I269 PolarHBondContact N-O 3.08Å; I220-V270 HydrophobicContact CB-CG1 4.27Å; I220-V270 HydrophobicContact CD1-CG2 4.15Å; I220-V270 HydrophobicContact CG2-CG1 4.3Å; I220-A271 PolarHBondContact O-N 3.37Å; I220-I294 CarbonylContact C-O 3.39Å; I220-I294 WeakPolarHBondContact CA-O 3.18Å; I220-I294 HydrophobicContact CB-CB 4.37Å; I220-I294 HydrophobicContact CG1-CB 3.87Å; I220-I294 HydrophobicContact CG1-CD1 3.82Å; I220-I294 HydrophobicContact CG1-CG1 4.25Å; I220-I294 HydrophobicContact CG1-CG2 4.44Å; I220-I294 HydrophobicContact CG2-CB 4.34Å; I220-I294 HydrophobicContact CG2-CG2 4.29Å
221	L	98.3	Very high	92.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	129.4	170.4	-58.1	-175	0	0	0	110.1	V219 A271 L276 L293 I294 L295 D296 M301 I310	V219-L221 HydrophobicContact CG1-CD2 3.84Å; V219-L221 HydrophobicContact CG1-CG 4.26Å; L221-A271 WeakPolarHBondContact CA-O 3.35Å; L221-L276 HydrophobicContact CD2-CD2 3.54Å; L221-L293 HydrophobicContact CG-CD1 4.43Å; L221-I294 PolarHBondContact N-O 3.11Å; L221-L295 HydrophobicContact CB-CD2 3.83Å; L221-L295 HydrophobicContact CD1-CD2 3.69Å; L221-L295 HydrophobicContact CG-CD2 4.05Å; L221-D296 PolarHBondContact O-N 3.25Å; L221-M301 HydrophobicContact CB-CE 4.37Å; L221-M301 HydrophobicContact CB-SD 4.05Å; L221-I310 HydrophobicContact CD1-CG1 4.34Å; L221-I310 HydrophobicContact CD1-CG2 4.49Å
222	V	95.6	Very high	92.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.081	C	C	.	.			trans	-136.5	153.6	-178.7	-68.1	0	0	0	0	111.1	I220 T224 L227 V228 I231 V270 A271 T272 P273 D296	I220-V222 HydrophobicContact CG2-CG1 3.76Å; V222-T224 PolarHBondContact O-N 2.81Å; V222-L227 HydrophobicContact CB-CB 4.41Å; V222-L227 HydrophobicContact CB-CD2 3.91Å; V222-L227 HydrophobicContact CB-CG 4.05Å; V222-L227 HydrophobicContact CG1-CD2 3.89Å; V222-L227 HydrophobicContact CG1-CG 3.93Å; V222-V228 HydrophobicContact CG2-CB 4.22Å; V222-V228 HydrophobicContact CG2-CG2 3.18Å; V222-I231 HydrophobicContact CG1-CD1 3.34Å; V222-V270 HydrophobicContact CG2-CG1 4.48Å; V222-A271 WeakPolarHBondContact CG2-O 3.39Å; V222-A271 PolarHBondContact N-O 3.39Å; V222-T272 WeakPolarHBondContact O-CA 3.47Å; V222-P273 VanDerWaalsContact O-CD 3.29Å; V222-P273 WeakPolarHBondContact O-CD 3.47Å; V222-D296 HydrophobicContact CG1-CB 3.89Å
223	P	90.8	Very high	92.5	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.013	8%	0.076	C	C	.	.	S	Bend	trans	-70.5	-30.2	-175.7	25.1	-36.9	0	0	0	114.6	L227 D296 E297 R300 M301 M304 F306	P223-L227 HydrophobicContact CG-CD2 4.28Å; P223-D296 VanDerWaalsContact CD-O 3.22Å; P223-D296 WeakPolarHBondContact CD-O 3.43Å; P223-E297 HydrophobicContact CG-CB 3.71Å; P223-E297 HydrophobicContact CG-CG 4.49Å; P223-E297 VanDerWaalsContact CG-OE2 3.28Å; P223-E297 WeakPolarHBondContact CG-OE2 3.39Å; P223-R300 HydrophobicContact CB-CB 4.41Å; P223-R300 HydrophobicContact CB-CG 4.09Å; P223-R300 HydrophobicContact CG-CB 4.26Å; P223-R300 HydrophobicContact CG-CG 4.15Å; P223-M301 HydrophobicContact CB-CG 3.76Å; P223-M301 HydrophobicContact CG-CG 4.27Å; P223-M304 HydrophobicContact CB-SD 3.7Å; P223-M304 WeakPolarHBondContact O-CE 3.26Å; P223-F306 WeakPolarHBondContact O-CE2 3.24Å
224	T	87.5	Confident	92.3	Very high	12 Å²	12	15.8 Å²	15.8	7%	0.074	8%	0.077	C	C	.	.			trans	-135	152	-168.6	54.6	0	0	0	0	113.3	V222 E226 L227 V228 R300 M304	V222-T224 PolarHBondContact O-N 2.81Å; T224-E226 VanDerWaalsContact C-N 3.26Å; T224-E226 PolarHBondContact O-N 2.96Å; T224-L227 PolarHBondContact O-N 3.4Å; T224-V228 PolarHBondContact O-N 2.95Å; T224-R300 PolarHBondContact OG1-NH2 2.8Å; T224-M304 HydrophobicContact CG2-CE 4.09Å; T224-M304 HydrophobicContact CG2-SD 3.93Å
225	R	86	Confident	92.3	Very high	29 Å²	29	15.7 Å²	15.7	11%	0.109	8%	0.076	C	C	.	.	H	α-helix	trans	-60	-38.4	175.4	169.1	-177.4	66.7	-173.2	-6.1	111.9	L227 V228 Q229 F250	R225-L227 VanDerWaalsContact C-N 3.29Å; R225-L227 PolarHBondContact O-N 2.96Å; R225-V228 WeakPolarHBondContact O-CB 3.45Å; R225-V228 PolarHBondContact O-N 2.85Å; R225-Q229 WeakPolarHBondContact O-CG 3.43Å; R225-Q229 PolarHBondContact O-N 2.88Å; R225-F250 HydrophobicContact CB-CB 3.98Å; R225-F250 HydrophobicContact CB-CD2 3.99Å; R225-F250 HydrophobicContact CB-CG 4.02Å; R225-F250 VanDerWaalsContact CD-CE2 3.47Å; R225-F250 HydrophobicContact CG-CB 4.16Å; R225-F250 HydrophobicContact CG-CD1 4.23Å; R225-F250 HydrophobicContact CG-CD2 3.29Å; R225-F250 HydrophobicContact CG-CE1 4.5Å; R225-F250 HydrophobicContact CG-CE2 3.62Å; R225-F250 HydrophobicContact CG-CG 3.62Å; R225-F250 HydrophobicContact CG-CZ 4.22Å
226	E	82.3	Confident	92.1	Very high	20 Å²	20	15.2 Å²	15.2	9%	0.093	8%	0.075	C	C	.	.	H	α-helix	trans	-59.7	-44	-180	-70.1	68.7	-158.1	0	0	110.2	T224 Q229 Q230 R474 G498	T224-E226 VanDerWaalsContact C-N 3.26Å; T224-E226 PolarHBondContact O-N 2.96Å; E226-Q229 PolarHBondContact O-N 2.82Å; E226-Q230 WeakPolarHBondContact O-CG 3.39Å; E226-Q230 PolarHBondContact O-N 3.49Å; E226-Q230 VanDerWaalsContact O-N 3.09Å; E226-R474 IonicContact OE1-CZ 2.86Å; E226-R474 IonicContact OE1-NE 3.05Å; E226-R474 IonicContact OE1-NH2 3.92Å; E226-R474 PolarHBondContact OE1-NH2 2.71Å; E226-G498 WeakPolarHBondContact CB-O 3.41Å
227	L	87.4	Confident	91.9	Very high	7 Å²	7	17.3 Å²	17.3	4%	0.037	8%	0.084	C	C	.	.	H	α-helix	trans	-67.7	-38.2	173.4	-175	54.6	0	0	0	112.5	V222 P223 T224 R225 Q229 Q230 I231 E297	V222-L227 HydrophobicContact CB-CB 4.41Å; V222-L227 HydrophobicContact CB-CD2 3.91Å; V222-L227 HydrophobicContact CB-CG 4.05Å; V222-L227 HydrophobicContact CG1-CD2 3.89Å; V222-L227 HydrophobicContact CG1-CG 3.93Å; P223-L227 HydrophobicContact CG-CD2 4.28Å; T224-L227 PolarHBondContact O-N 3.4Å; R225-L227 VanDerWaalsContact C-N 3.29Å; R225-L227 PolarHBondContact O-N 2.96Å; L227-Q229 VanDerWaalsContact C-N 3.28Å; L227-Q229 PolarHBondContact O-N 3.17Å; L227-Q230 PolarHBondContact O-N 3.49Å; L227-I231 HydrophobicContact CD1-CD1 3.84Å; L227-I231 HydrophobicContact CD1-CG1 4.06Å; L227-I231 HydrophobicContact CG-CD1 3.77Å; L227-I231 HydrophobicContact CG-CG1 4.45Å; L227-I231 WeakPolarHBondContact O-CG1 3.41Å; L227-I231 PolarHBondContact O-N 3.4Å; L227-E297 HydrophobicContact CD2-CB 4.38Å; L227-E297 HydrophobicContact CD2-CG 3.79Å
228	V	91.6	Very high	91.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-55.2	-46.6	171.6	175.7	0	0	0	0	110.9	V222 T224 R225 Q230 I231 L232 F250 V270 T272	V222-V228 HydrophobicContact CG2-CB 4.22Å; V222-V228 HydrophobicContact CG2-CG2 3.18Å; T224-V228 PolarHBondContact O-N 2.95Å; R225-V228 WeakPolarHBondContact O-CB 3.45Å; R225-V228 PolarHBondContact O-N 2.85Å; V228-Q230 VanDerWaalsContact C-N 3.35Å; V228-Q230 PolarHBondContact O-N 2.71Å; V228-I231 PolarHBondContact O-N 3.18Å; V228-L232 HydrophobicContact CG1-CD1 3.99Å; V228-L232 HydrophobicContact CG1-CG 4.2Å; V228-L232 VanDerWaalsContact O-CB 3.32Å; V228-L232 WeakPolarHBondContact O-CB 3.26Å; V228-L232 WeakPolarHBondContact O-CG 3.41Å; V228-L232 PolarHBondContact O-N 3.48Å; V228-F250 HydrophobicContact CB-CD1 3.91Å; V228-F250 HydrophobicContact CG1-CD1 3.5Å; V228-F250 HydrophobicContact CG1-CE1 3.98Å; V228-F250 HydrophobicContact CG2-CB 4.22Å; V228-F250 HydrophobicContact CG2-CD1 4.29Å; V228-V270 HydrophobicContact CB-CG1 4.17Å; V228-V270 HydrophobicContact CG1-CB 3.98Å; V228-V270 HydrophobicContact CG1-CG1 3.77Å; V228-V270 WeakPolarHBondContact CG1-O 3.43Å; V228-V270 HydrophobicContact CG2-CG1 4.25Å; V228-T272 HydrophobicContact CG2-CG2 4.04Å
229	Q	87.9	Confident	91.6	Very high	53 Å²	53	16.7 Å²	16.7	25%	0.248	8%	0.08	C	C	.	.	H	α-helix	trans	-65.6	-38.7	-178.3	-72.4	170.9	10.4	0	0	112	R225 E226 L227 L233 F250	R225-Q229 WeakPolarHBondContact O-CG 3.43Å; R225-Q229 PolarHBondContact O-N 2.88Å; E226-Q229 PolarHBondContact O-N 2.82Å; L227-Q229 VanDerWaalsContact C-N 3.28Å; L227-Q229 PolarHBondContact O-N 3.17Å; Q229-L233 VanDerWaalsContact O-CG 3.25Å; Q229-L233 WeakPolarHBondContact O-CG 3.19Å; Q229-L233 PolarHBondContact O-N 3.24Å; Q229-F250 HydrophobicContact CG-CE1 4.47Å
230	Q	84.9	Confident	91.2	Very high	36 Å²	36	17.4 Å²	17.4	17%	0.168	8%	0.083	C	C	.	.	H	α-helix	trans	-62.5	-51.6	175.8	-72.7	162.8	-6.9	0	0	111.8	E226 L227 V228 L232 L233 E234 G498	E226-Q230 WeakPolarHBondContact O-CG 3.39Å; E226-Q230 PolarHBondContact O-N 3.49Å; E226-Q230 VanDerWaalsContact O-N 3.09Å; L227-Q230 PolarHBondContact O-N 3.49Å; V228-Q230 VanDerWaalsContact C-N 3.35Å; V228-Q230 PolarHBondContact O-N 2.71Å; Q230-L232 VanDerWaalsContact C-N 3.3Å; Q230-L232 PolarHBondContact O-N 2.88Å; Q230-L233 WeakPolarHBondContact O-CB 3.38Å; Q230-L233 PolarHBondContact O-N 3.3Å; Q230-L233 VanDerWaalsContact O-N 3.12Å; Q230-E234 PolarHBondContact O-N 2.88Å; Q230-G498 PolarHBondContact NE2-O 3.07Å
231	I	92.2	Very high	90.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.7	-40.8	179.8	-66	163	0	0	0	110.3	T183 Y186 L187 I220 V222 L227 V228 L233 E234 L235 V270	T183-I231 HydrophobicContact CG2-CB 4.34Å; T183-I231 HydrophobicContact CG2-CG1 3.86Å; T183-I231 HydrophobicContact CG2-CG2 4.36Å; Y186-I231 WeakPolarHBondContact OH-CD1 3.4Å; Y186-I231 WeakPolarHBondContact OH-CG1 3.4Å; L187-I231 HydrophobicContact CD1-CG2 4.31Å; L187-I231 HydrophobicContact CD2-CG2 4.32Å; I220-I231 HydrophobicContact CD1-CG2 3.81Å; I220-I231 HydrophobicContact CG2-CD1 4.22Å; V222-I231 HydrophobicContact CG1-CD1 3.34Å; L227-I231 HydrophobicContact CD1-CD1 3.84Å; L227-I231 HydrophobicContact CD1-CG1 4.06Å; L227-I231 HydrophobicContact CG-CD1 3.77Å; L227-I231 HydrophobicContact CG-CG1 4.45Å; L227-I231 WeakPolarHBondContact O-CG1 3.41Å; L227-I231 PolarHBondContact O-N 3.4Å; V228-I231 PolarHBondContact O-N 3.18Å; I231-L233 VanDerWaalsContact C-N 3.34Å; I231-L233 PolarHBondContact O-N 3.14Å; I231-E234 PolarHBondContact O-N 2.76Å; I231-L235 VanDerWaalsContact O-CB 3.27Å; I231-L235 WeakPolarHBondContact O-CB 3.34Å; I231-L235 PolarHBondContact O-N 3.3Å; I231-V270 HydrophobicContact CB-CG1 4Å; I231-V270 HydrophobicContact CD1-CG1 4.33Å; I231-V270 HydrophobicContact CG2-CG1 3.86Å; I231-V270 HydrophobicContact CG2-CG2 3.95Å
232	L	93.4	Very high	90.7	Very high	9 Å²	9	20 Å²	20	5%	0.047	10%	0.096	C	C	.	.	H	α-helix	trans	-61.7	-40.1	174.6	-82.8	-178.9	0	0	0	112.7	V228 Q230 E234 L235 H236 P246 V270	V228-L232 HydrophobicContact CG1-CD1 3.99Å; V228-L232 HydrophobicContact CG1-CG 4.2Å; V228-L232 VanDerWaalsContact O-CB 3.32Å; V228-L232 WeakPolarHBondContact O-CB 3.26Å; V228-L232 WeakPolarHBondContact O-CG 3.41Å; V228-L232 PolarHBondContact O-N 3.48Å; Q230-L232 VanDerWaalsContact C-N 3.3Å; Q230-L232 PolarHBondContact O-N 2.88Å; L232-E234 VanDerWaalsContact C-N 3.33Å; L232-L235 PolarHBondContact O-N 2.87Å; L232-H236 WeakPolarHBondContact O-CB 3.24Å; L232-H236 PolarHBondContact O-N 2.9Å; L232-H236 PolarHBondContact O-ND1 3.3Å; L232-P246 HydrophobicContact CD2-CB 4.08Å; L232-V270 HydrophobicContact CD2-CB 4.17Å; L232-V270 HydrophobicContact CD2-CG2 3.76Å; L232-V270 HydrophobicContact CG-CB 4.21Å; L232-V270 HydrophobicContact CG-CG2 4.17Å
233	L	90	Very high	90.5	Very high	75 Å²	75	21.5 Å²	21.5	39%	0.393	10%	0.102	S	C	.	.	H	α-helix	trans	-61.4	-44.8	178.3	-75.6	167.4	0	0	0	110.8	Q229 Q230 I231 H236 K237	Q229-L233 VanDerWaalsContact O-CG 3.25Å; Q229-L233 WeakPolarHBondContact O-CG 3.19Å; Q229-L233 PolarHBondContact O-N 3.24Å; Q230-L233 WeakPolarHBondContact O-CB 3.38Å; Q230-L233 PolarHBondContact O-N 3.3Å; Q230-L233 VanDerWaalsContact O-N 3.12Å; I231-L233 VanDerWaalsContact C-N 3.34Å; I231-L233 PolarHBondContact O-N 3.14Å; L233-H236 PolarHBondContact O-N 2.79Å; L233-K237 PolarHBondContact O-N 3.24Å
234	E	91.2	Very high	90.7	Very high	51 Å²	51	21.4 Å²	21.4	24%	0.238	10%	0.102	C	C	.	.	H	α-helix	trans	-65.3	-43.8	174.8	-62.2	-51.2	136.9	0	0	111.8	M122 T183 L184 L187 Q230 I231 L232 H236 K237 L238	M122-E234 WeakPolarHBondContact CE-OE2 3.3Å; T183-E234 HydrophobicContact CG2-CB 4.33Å; T183-E234 HydrophobicContact CG2-CG 4.37Å; L184-E234 HydrophobicContact CD2-CB 4.43Å; L187-E234 HydrophobicContact CD1-CB 4.09Å; Q230-E234 PolarHBondContact O-N 2.88Å; I231-E234 PolarHBondContact O-N 2.76Å; L232-E234 VanDerWaalsContact C-N 3.33Å; E234-H236 VanDerWaalsContact C-N 3.33Å; E234-H236 PolarHBondContact O-N 3.23Å; E234-K237 WeakPolarHBondContact O-CB 3.32Å; E234-K237 PolarHBondContact O-N 3.34Å; E234-K237 VanDerWaalsContact O-N 3.1Å; E234-K237 IonicContact OE1-NZ 2.66Å; E234-K237 PolarHBondContact OE1-NZ 2.76Å; E234-K237 WeakPolarHBondContact OE2-CD 3.33Å; E234-K237 IonicContact OE2-NZ 3.21Å; E234-K237 PolarHBondContact OE2-NZ 2.69Å; E234-L238 PolarHBondContact O-N 2.89Å
235	L	94.5	Very high	91.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.7	-37.1	178.4	-176.8	53.8	0	0	0	112.5	L187 F191 I231 L232 K237 L238 C239 P246 F268 V270	L187-L235 HydrophobicContact CD1-CB 4.3Å; L187-L235 HydrophobicContact CD2-CD1 4.25Å; F191-L235 HydrophobicContact CD2-CD1 4.02Å; F191-L235 HydrophobicContact CE2-CD1 4.46Å; I231-L235 VanDerWaalsContact O-CB 3.27Å; I231-L235 WeakPolarHBondContact O-CB 3.34Å; I231-L235 PolarHBondContact O-N 3.3Å; L232-L235 PolarHBondContact O-N 2.87Å; L235-K237 VanDerWaalsContact C-N 3.28Å; L235-K237 PolarHBondContact O-N 3.19Å; L235-L238 PolarHBondContact O-N 2.88Å; L235-L238 VanDerWaalsContact O-N 3.16Å; L235-C239 WeakPolarHBondContact O-CB 3.05Å; L235-C239 PolarHBondContact O-N 3.39Å; L235-C239 PolarHBondContact O-SG 3.28Å; L235-P246 HydrophobicContact CD2-CB 3.45Å; L235-P246 VanDerWaalsContact CD2-CB 3.45Å; L235-P246 HydrophobicContact CD2-CG 4.39Å; L235-P246 HydrophobicContact CG-CB 3.78Å; L235-P246 HydrophobicContact CG-CG 4.2Å; L235-F268 HydrophobicContact CD1-CD2 4.44Å; L235-F268 HydrophobicContact CD1-CE2 4.49Å; L235-F268 HydrophobicContact CD2-CB 4.36Å; L235-F268 HydrophobicContact CD2-CD1 3.66Å; L235-F268 HydrophobicContact CD2-CD2 4.4Å; L235-F268 HydrophobicContact CD2-CE1 4.05Å; L235-F268 HydrophobicContact CD2-CG 3.88Å; L235-V270 HydrophobicContact CD2-CG2 4.04Å
236	H	93.2	Very high	91.6	Very high	13 Å²	13	20.6 Å²	20.6	6%	0.06	10%	0.098	C	C	.	.	H	α-helix	trans	-64.1	-31	175.2	-78.3	102.7	0	0	0	113	L20 L232 L233 E234 C239 N240	L20-H236 VanDerWaalsContact CD2-CE1 3.45Å; L20-H236 WeakPolarHBondContact CD2-CE1 3.19Å; L232-H236 WeakPolarHBondContact O-CB 3.24Å; L232-H236 PolarHBondContact O-N 2.9Å; L232-H236 PolarHBondContact O-ND1 3.3Å; L233-H236 PolarHBondContact O-N 2.79Å; E234-H236 VanDerWaalsContact C-N 3.33Å; E234-H236 PolarHBondContact O-N 3.23Å; H236-C239 PolarHBondContact O-N 3.46Å; H236-N240 PolarHBondContact O-N 3.45Å
237	K	92.2	Very high	92.3	Very high	44 Å²	44	20 Å²	20	19%	0.191	10%	0.095	C	C	.	.	H	α-helix	trans	-64.6	-45	171.9	-60.6	168.4	-170.5	172.1	0	110.6	I64 F65 M122 L233 E234 L235 C239 N240	I64-K237 HydrophobicContact CG2-CB 3.94Å; I64-K237 HydrophobicContact CG2-CG 3.49Å; I64-K237 VanDerWaalsContact CG2-CG 3.49Å; F65-K237 HydrophobicContact CD1-CB 4.44Å; F65-K237 HydrophobicContact CD1-CG 4.45Å; F65-K237 HydrophobicContact CE1-CB 3.89Å; F65-K237 HydrophobicContact CE1-CG 4.37Å; F65-K237 HydrophobicContact CZ-CB 4.43Å; M122-K237 HydrophobicContact CE-CB 4.3Å; M122-K237 HydrophobicContact CE-CD 3.66Å; M122-K237 HydrophobicContact CG-CB 4.1Å; M122-K237 HydrophobicContact CG-CD 4.05Å; M122-K237 HydrophobicContact SD-CB 3.71Å; M122-K237 HydrophobicContact SD-CD 4.06Å; L233-K237 PolarHBondContact O-N 3.24Å; E234-K237 WeakPolarHBondContact O-CB 3.32Å; E234-K237 PolarHBondContact O-N 3.34Å; E234-K237 VanDerWaalsContact O-N 3.1Å; E234-K237 IonicContact OE1-NZ 2.66Å; E234-K237 PolarHBondContact OE1-NZ 2.76Å; E234-K237 WeakPolarHBondContact OE2-CD 3.33Å; E234-K237 IonicContact OE2-NZ 3.21Å; E234-K237 PolarHBondContact OE2-NZ 2.69Å; L235-K237 VanDerWaalsContact C-N 3.28Å; L235-K237 PolarHBondContact O-N 3.19Å; K237-C239 VanDerWaalsContact C-N 3.34Å; K237-C239 PolarHBondContact O-N 3.39Å; K237-N240 WeakPolarHBondContact O-CB 3.24Å; K237-N240 PolarHBondContact O-N 2.63Å
238	L	94.2	Very high	92.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-65.8	-35.7	176.5	-53.2	-175.5	0	0	0	112.4	L115 N118 L119 M122 L187 F191 E234 L235 N240	L115-L238 HydrophobicContact CD1-CB 4.31Å; L115-L238 HydrophobicContact CD1-CD2 3.82Å; L115-L238 HydrophobicContact CD1-CG 4.44Å; N118-L238 PolarHBondContact ND2-O 3.44Å; L119-L238 HydrophobicContact CD2-CD2 3.74Å; M122-L238 HydrophobicContact SD-CD2 3.69Å; L187-L238 HydrophobicContact CB-CD1 3.86Å; L187-L238 HydrophobicContact CD1-CD1 4.36Å; F191-L238 HydrophobicContact CD1-CB 3.87Å; F191-L238 HydrophobicContact CE1-CB 3.89Å; F191-L238 WeakPolarHBondContact CE1-O 2.95Å; F191-L238 HydrophobicContact CG-CB 4.37Å; F191-L238 HydrophobicContact CZ-CB 4.45Å; F191-L238 WeakPolarHBondContact CZ-O 3.16Å; E234-L238 PolarHBondContact O-N 2.89Å; L235-L238 PolarHBondContact O-N 2.88Å; L235-L238 VanDerWaalsContact O-N 3.16Å; L238-N240 VanDerWaalsContact C-N 3.27Å; L238-N240 PolarHBondContact O-N 2.99Å
239	C	93.6	Very high	92.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-8.4	178.6	-66.3	0	0	0	0	114.6	F191 L235 H236 K237 Q241 T242	F191-C239 WeakPolarHBondContact CE2-SG 3.47Å; F191-C239 HydrophobicContact CZ-CB 4.42Å; L235-C239 WeakPolarHBondContact O-CB 3.05Å; L235-C239 PolarHBondContact O-N 3.39Å; L235-C239 PolarHBondContact O-SG 3.28Å; H236-C239 PolarHBondContact O-N 3.46Å; K237-C239 VanDerWaalsContact C-N 3.34Å; K237-C239 PolarHBondContact O-N 3.39Å; C239-Q241 PolarHBondContact O-N 3.12Å; C239-T242 WeakPolarHBondContact CA-OG1 3.31Å; C239-T242 WeakPolarHBondContact O-CB 3.32Å; C239-T242 PolarHBondContact O-N 3.39Å; C239-T242 PolarHBondContact O-OG1 3.46Å
240	N	90.7	Very high	93.2	Very high	14 Å²	14	18.4 Å²	18.4	8%	0.075	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	135.5	-179.8	176.3	62	0	0	0	111	F65 N118 H236 K237 L238 T242	F65-N240 HydrophobicContact CE2-CB 3.95Å; F65-N240 HydrophobicContact CZ-CB 3.88Å; N118-N240 PolarHBondContact ND2-O 2.9Å; N118-N240 PolarHBondContact OD1-ND2 3.47Å; N118-N240 VanDerWaalsContact OD1-ND2 3.12Å; H236-N240 PolarHBondContact O-N 3.45Å; K237-N240 WeakPolarHBondContact O-CB 3.24Å; K237-N240 PolarHBondContact O-N 2.63Å; L238-N240 VanDerWaalsContact C-N 3.27Å; L238-N240 PolarHBondContact O-N 2.99Å; N240-T242 PolarHBondContact O-N 3.37Å; N240-T242 VanDerWaalsContact O-N 3.13Å
241	Q	91.4	Very high	93.3	Very high	55 Å²	55	18.3 Å²	18.3	26%	0.257	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	24.6	-175	-62.1	-178.4	-45.4	0	0	115.5	L53 R54 G56 C239	L53-Q241 HydrophobicContact CD1-CB 3.6Å; L53-Q241 HydrophobicContact CG-CB 4.2Å; R54-Q241 WeakPolarHBondContact CB-O 3.46Å; R54-Q241 PolarHBondContact N-O 2.79Å; R54-Q241 WeakPolarHBondContact O-CB 3.29Å; R54-Q241 WeakPolarHBondContact O-CG 3.39Å; G56-Q241 VanDerWaalsContact CA-NE2 3.3Å; C239-Q241 PolarHBondContact O-N 3.12Å
242	T	93.5	Very high	92.7	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	13%	0.131	C	C	.	.	S	Bend	trans	-115.6	168.7	170.1	78.7	0	0	0	0	111.1	R54 K114 F191 L195 C239 N240 V244	R54-T242 WeakPolarHBondContact CD-O 3.49Å; K114-T242 HydrophobicContact CB-CG2 4.25Å; K114-T242 HydrophobicContact CD-CG2 4.36Å; F191-T242 HydrophobicContact CE1-CG2 4.44Å; F191-T242 HydrophobicContact CZ-CG2 4.06Å; L195-T242 HydrophobicContact CD1-CG2 4.37Å; L195-T242 HydrophobicContact CD2-CG2 3.92Å; C239-T242 WeakPolarHBondContact CA-OG1 3.31Å; C239-T242 WeakPolarHBondContact O-CB 3.32Å; C239-T242 PolarHBondContact O-N 3.39Å; C239-T242 PolarHBondContact O-OG1 3.46Å; N240-T242 PolarHBondContact O-N 3.37Å; N240-T242 VanDerWaalsContact O-N 3.13Å; T242-V244 PolarHBondContact OG1-N 3.45Å
243	F	92.8	Very high	92.1	Very high	31 Å²	31	24.3 Å²	24.3	14%	0.136	15%	0.145	C	C	.	.	S	Bend	trans	-95.3	-1.2	172.4	-66.9	-83	0	0	0	113.2	I45 I49 R54 R245	I45-F243 HydrophobicContact CD1-CB 4.22Å; I45-F243 HydrophobicContact CD1-CD1 4.13Å; I45-F243 HydrophobicContact CG1-CB 4.13Å; I45-F243 HydrophobicContact CG2-CB 3.96Å; I45-F243 HydrophobicContact CG2-CD1 4.49Å; I45-F243 HydrophobicContact CG2-CG 4.15Å; I49-F243 HydrophobicContact CG2-CD1 4.08Å; I49-F243 HydrophobicContact CG2-CD2 3.96Å; I49-F243 HydrophobicContact CG2-CE1 3.69Å; I49-F243 HydrophobicContact CG2-CE2 3.57Å; I49-F243 HydrophobicContact CG2-CG 4.21Å; I49-F243 HydrophobicContact CG2-CZ 3.41Å; I49-F243 VanDerWaalsContact CG2-CZ 3.41Å; I49-F243 WeakPolarHBondContact O-CD2 3.21Å; I49-F243 WeakPolarHBondContact O-CE2 3.46Å; R54-F243 HydrophobicContact CB-CD2 4.36Å; R54-F243 HydrophobicContact CB-CE1 4.37Å; R54-F243 HydrophobicContact CB-CE2 3.86Å; R54-F243 HydrophobicContact CB-CZ 3.87Å; R54-F243 HydrophobicContact CG-CE1 4.01Å; R54-F243 HydrophobicContact CG-CE2 4.37Å; R54-F243 HydrophobicContact CG-CZ 3.88Å; F243-R245 PolarHBondContact O-N 2.72Å
244	V	94.8	Very high	92	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.			trans	-67.4	134.9	175	-175.6	0	0	0	0	108.9	W50 F191 L194 L195 T242 H267 F268	W50-V244 HydrophobicContact CH2-CG2 3.73Å; W50-V244 HydrophobicContact CZ2-CG2 3.8Å; W50-V244 HydrophobicContact CZ3-CG2 4.43Å; F191-V244 HydrophobicContact CD2-CG1 4.49Å; F191-V244 HydrophobicContact CE2-CB 3.78Å; F191-V244 HydrophobicContact CE2-CG1 3.79Å; F191-V244 HydrophobicContact CE2-CG2 3.84Å; F191-V244 HydrophobicContact CZ-CB 4.31Å; F191-V244 HydrophobicContact CZ-CG2 4.23Å; L194-V244 HydrophobicContact CD2-CG1 3.71Å; L194-V244 HydrophobicContact CD2-CG2 4.19Å; L194-V244 HydrophobicContact CG-CG2 4.32Å; L195-V244 HydrophobicContact CD2-CG2 3.77Å; T242-V244 PolarHBondContact OG1-N 3.45Å; V244-H267 HydrophobicContact CG1-CB 3.91Å; V244-F268 HydrophobicContact CG1-CB 4.44Å
245	R	95.1	Very high	92	Very high	16 Å²	16	27.7 Å²	27.7	6%	0.06	15%	0.153	C	C	.	.			trans	-119.3	105.5	-178.4	-172.6	164.8	178.8	-74.4	-0.8	110.1	Y27 F243 E261 G265 H267 F268	Y27-R245 HydrophobicContact CG-CG 4.48Å; F243-R245 PolarHBondContact O-N 2.72Å; R245-E261 PolarHBondContact NH1-O 3.22Å; R245-E261 PolarHBondContact NH2-O 3.32Å; R245-E261 IonicContact NH2-OE2 3.36Å; R245-E261 PolarHBondContact NH2-OE2 3.3Å; R245-G265 WeakPolarHBondContact CD-O 3.43Å; R245-G265 WeakPolarHBondContact CG-O 3.16Å; R245-G265 PolarHBondContact NH1-O 3.37Å; R245-H267 PolarHBondContact N-ND1 3.09Å; R245-H267 PolarHBondContact O-N 2.84Å; R245-F268 PolarHBondContact O-N 3.12Å
246	P	96.6	Very high	92	Very high	7 Å²	7	33.1 Å²	33.1	5%	0.045	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	143.8	174.3	33.6	-34.4	0	0	0	111.4	L232 L235 F268	L232-P246 HydrophobicContact CD2-CB 4.08Å; L235-P246 HydrophobicContact CD2-CB 3.45Å; L235-P246 VanDerWaalsContact CD2-CB 3.45Å; L235-P246 HydrophobicContact CD2-CG 4.39Å; L235-P246 HydrophobicContact CG-CB 3.78Å; L235-P246 HydrophobicContact CG-CG 4.2Å; P246-F268 CarbonylContact C-O 3.59Å; P246-F268 VanDerWaalsContact CA-O 3.25Å; P246-F268 WeakPolarHBondContact CA-O 3.48Å; P246-F268 HydrophobicContact CB-CB 4.32Å
247	V	96.7	Very high	91.9	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	133.2	177.6	-172.9	0	0	0	0	111	V249 L262 C266 F268 I269 V270	V247-V249 HydrophobicContact CG1-CG2 4.3Å; V247-L262 HydrophobicContact CB-CD2 4.12Å; V247-L262 HydrophobicContact CG1-CD2 3.71Å; V247-L262 HydrophobicContact CG1-CG 4.01Å; V247-L262 HydrophobicContact CG2-CD2 4.41Å; V247-C266 HydrophobicContact CG2-CB 3.82Å; V247-C266 VanDerWaalsContact CG2-SG 3.58Å; V247-F268 PolarHBondContact N-O 3.48Å; V247-I269 WeakPolarHBondContact O-CA 3.32Å; V247-V270 PolarHBondContact O-N 2.98Å
248	G	96.4	Very high	91.9	Very high	12 Å²	12	37.6 Å²	37.6	12%	0.124	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	130.5	174.1	0	0	0	0	0	112.3	V270	G248-V270 CarbonylContact C-O 3.48Å; G248-V270 VanDerWaalsContact CA-O 3.3Å; G248-V270 WeakPolarHBondContact CA-O 3.14Å
249	V	96.1	Very high	91.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	103.3	-177.5	176.4	0	0	0	0	109.6	V247 L262 I269 V270 A271 T272 R275 F279	V247-V249 HydrophobicContact CG1-CG2 4.3Å; V249-L262 HydrophobicContact CG2-CD1 4.32Å; V249-L262 HydrophobicContact CG2-CD2 4.31Å; V249-I269 HydrophobicContact CG2-CG2 4.35Å; V249-V270 PolarHBondContact N-O 3.47Å; V249-A271 HydrophobicContact CB-CB 3.82Å; V249-A271 HydrophobicContact CG1-CB 4.32Å; V249-A271 CarbonylContact O-C 3.57Å; V249-A271 WeakPolarHBondContact O-CA 3.49Å; V249-A271 WeakPolarHBondContact O-CB 3.41Å; V249-T272 PolarHBondContact O-N 3.5Å; V249-R275 HydrophobicContact CG1-CB 4.13Å; V249-R275 HydrophobicContact CG1-CG 3.5Å; V249-R275 VanDerWaalsContact CG1-CG 3.5Å; V249-F279 HydrophobicContact CG1-CD2 3.47Å; V249-F279 VanDerWaalsContact CG1-CD2 3.47Å; V249-F279 HydrophobicContact CG1-CE2 3.75Å; V249-F279 HydrophobicContact CG1-CG 4.4Å; V249-F279 HydrophobicContact CG2-CD2 4.21Å; V249-F279 HydrophobicContact CG2-CE2 4.3Å
250	F	94.5	Very high	91.8	Very high	16 Å²	16	45.6 Å²	45.6	7%	0.07	23%	0.23	C	C	.	.			trans	-148.4	156.5	-171.7	49.8	-101.6	0	0	0	115	R225 V228 Q229 E253 Q258 T272 R275	R225-F250 HydrophobicContact CB-CB 3.98Å; R225-F250 HydrophobicContact CB-CD2 3.99Å; R225-F250 HydrophobicContact CB-CG 4.02Å; R225-F250 VanDerWaalsContact CD-CE2 3.47Å; R225-F250 HydrophobicContact CG-CB 4.16Å; R225-F250 HydrophobicContact CG-CD1 4.23Å; R225-F250 HydrophobicContact CG-CD2 3.29Å; R225-F250 HydrophobicContact CG-CE1 4.5Å; R225-F250 HydrophobicContact CG-CE2 3.62Å; R225-F250 HydrophobicContact CG-CG 3.62Å; R225-F250 HydrophobicContact CG-CZ 4.22Å; V228-F250 HydrophobicContact CB-CD1 3.91Å; V228-F250 HydrophobicContact CG1-CD1 3.5Å; V228-F250 HydrophobicContact CG1-CE1 3.98Å; V228-F250 HydrophobicContact CG2-CB 4.22Å; V228-F250 HydrophobicContact CG2-CD1 4.29Å; Q229-F250 HydrophobicContact CG-CE1 4.47Å; F250-E253 HydrophobicContact CE2-CB 4.23Å; F250-E253 WeakPolarHBondContact CE2-OE2 3.33Å; F250-Q258 VanDerWaalsContact N-OE1 3.14Å; F250-Q258 PolarHBondContact O-NE2 2.98Å; F250-Q258 PolarHBondContact O-OE1 3.31Å; F250-T272 WeakPolarHBondContact CA-OG1 3.37Å; F250-T272 HydrophobicContact CB-CG2 3.91Å; F250-R275 PolarHBondContact O-NH1 3.25Å
251	G	86	Confident	91.8	Very high	33 Å²	33	47 Å²	47	34%	0.34	24%	0.237	S	C	.	.	S	Bend	trans	-66.1	164.4	174.3	0	0	0	0	0	114.2	T272	G251-T272 PolarHBondContact N-OG1 2.82Å
252	G	79.5	Confident	91.9	Very high	65 Å²	65	44.4 Å²	44.4	67%	0.67	22%	0.224	S	C	*	.	S	Bend	trans	81.3	9.1	177	0	0	0	0	0	115.6
253	E	81.2	Confident	91.8	Very high	70 Å²	70	46.5 Å²	46.5	33%	0.327	24%	0.236	S	C	.	.	S	Bend	trans	-131.7	153.3	168.7	174.1	170	-153.8	0	0	110.4	F250 Q258 R275	F250-E253 HydrophobicContact CE2-CB 4.23Å; F250-E253 WeakPolarHBondContact CE2-OE2 3.33Å; E253-Q258 PolarHBondContact OE2-NE2 3.2Å; E253-R275 PolarHBondContact O-NH1 2.96Å; E253-R275 PolarHBondContact O-NH2 3.13Å
254	R	88	Confident	91.8	Very high	171 Å²	171	46.8 Å²	46.8	65%	0.645	24%	0.237	S	C	*	.			trans	-56	122	178.3	-69.6	-171.3	-178.2	177.9	-0	111	E256 R257	R254-E256 PolarHBondContact O-N 2.9Å; R254-R257 HydrophobicContact CB-CG 4.43Å; R254-R257 PolarHBondContact O-N 2.93Å
255	P	92.1	Very high	91.7	Very high	26 Å²	26	46.8 Å²	46.8	17%	0.169	24%	0.237	C	C	.	.	H	α-helix	trans	-53.6	-36.3	-178.7	-27.2	35.3	0	0	0	113.7	R257 Q258 M259 F279	P255-R257 VanDerWaalsContact C-N 3.26Å; P255-R257 PolarHBondContact O-N 2.88Å; P255-Q258 PolarHBondContact O-N 2.99Å; P255-M259 WeakPolarHBondContact O-CB 3.37Å; P255-M259 PolarHBondContact O-N 3.17Å; P255-F279 HydrophobicContact CB-CE1 4.07Å; P255-F279 HydrophobicContact CB-CZ 4.46Å
256	E	93	Very high	91.7	Very high	114 Å²	114	46 Å²	46	53%	0.533	23%	0.234	S	C	.	.	H	α-helix	trans	-62.3	-34.9	-175.5	-57.7	68	-137.5	0	0	111.6	R254 F260	R254-E256 PolarHBondContact O-N 2.9Å; E256-F260 WeakPolarHBondContact O-CB 3.44Å; E256-F260 PolarHBondContact O-N 3.12Å
257	R	90.8	Very high	91.7	Very high	144 Å²	144	46 Å²	46	54%	0.543	23%	0.234	S	C	.	.	H	α-helix	trans	-69.1	-44.6	177.8	-70.4	-174.1	174.5	179	-2.1	112	R254 P255 M259 F260 E261	R254-R257 HydrophobicContact CB-CG 4.43Å; R254-R257 PolarHBondContact O-N 2.93Å; P255-R257 VanDerWaalsContact C-N 3.26Å; P255-R257 PolarHBondContact O-N 2.88Å; R257-M259 VanDerWaalsContact C-N 3.32Å; R257-F260 PolarHBondContact O-N 2.94Å; R257-E261 PolarHBondContact O-N 3.48Å; R257-E261 VanDerWaalsContact O-N 3.08Å
258	Q	92.6	Very high	91.7	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.033	23%	0.232	C	C	.	.	H	α-helix	trans	-69.1	-35.4	178	-71.2	176.2	17.5	0	0	111	F250 E253 P255 E261 L262 R275 F279	F250-Q258 VanDerWaalsContact N-OE1 3.14Å; F250-Q258 PolarHBondContact O-NE2 2.98Å; F250-Q258 PolarHBondContact O-OE1 3.31Å; E253-Q258 PolarHBondContact OE2-NE2 3.2Å; P255-Q258 PolarHBondContact O-N 2.99Å; Q258-E261 PolarHBondContact O-N 2.8Å; Q258-L262 WeakPolarHBondContact O-CG 3.36Å; Q258-L262 PolarHBondContact O-N 2.95Å; Q258-R275 VanDerWaalsContact CD-NH1 3.3Å; Q258-F279 HydrophobicContact CB-CE2 3.75Å; Q258-F279 HydrophobicContact CB-CZ 3.73Å
259	M	92.6	Very high	91.8	Very high	47 Å²	47	45.1 Å²	45.1	23%	0.232	23%	0.226	C	C	.	.	H	α-helix	trans	-65.8	-40.5	173.8	-166.5	130.5	64.8	0	0	112	P255 R257 E261 L262 N263 C284	P255-M259 WeakPolarHBondContact O-CB 3.37Å; P255-M259 PolarHBondContact O-N 3.17Å; R257-M259 VanDerWaalsContact C-N 3.32Å; M259-E261 VanDerWaalsContact C-N 3.28Å; M259-E261 PolarHBondContact O-N 3.17Å; M259-L262 PolarHBondContact O-N 2.9Å; M259-L262 VanDerWaalsContact O-N 3.16Å; M259-N263 WeakPolarHBondContact O-CB 3.3Å; M259-N263 PolarHBondContact O-N 3.36Å; M259-N263 PolarHBondContact O-OD1 2.89Å; M259-C284 HydrophobicContact SD-CB 4.06Å
260	F	92.5	Very high	91.9	Very high	121 Å²	121	45.1 Å²	45.1	53%	0.531	23%	0.226	S	C	.	.	H	α-helix	trans	-59.4	-39.3	171.6	-179.5	-102.7	0	0	0	112.2	E256 R257	E256-F260 WeakPolarHBondContact O-CB 3.44Å; E256-F260 PolarHBondContact O-N 3.12Å; R257-F260 PolarHBondContact O-N 2.94Å
261	E	91.8	Very high	92.1	Very high	44 Å²	44	44.4 Å²	44.4	21%	0.206	22%	0.222	C	C	.	.	H	α-helix	trans	-69.5	-36.4	174	-69.5	-58.9	152.4	0	0	112.6	S24 R245 R257 Q258 M259 K264	S24-E261 WeakPolarHBondContact CB-OE2 3.46Å; S24-E261 PolarHBondContact OG-OE1 2.81Å; S24-E261 VanDerWaalsContact OG-OE1 3.06Å; S24-E261 PolarHBondContact OG-OE2 2.84Å; R245-E261 PolarHBondContact NH1-O 3.22Å; R245-E261 PolarHBondContact NH2-O 3.32Å; R245-E261 IonicContact NH2-OE2 3.36Å; R245-E261 PolarHBondContact NH2-OE2 3.3Å; R257-E261 PolarHBondContact O-N 3.48Å; R257-E261 VanDerWaalsContact O-N 3.08Å; Q258-E261 PolarHBondContact O-N 2.8Å; M259-E261 VanDerWaalsContact C-N 3.28Å; M259-E261 PolarHBondContact O-N 3.17Å; E261-K264 PolarHBondContact O-N 2.9Å; E261-K264 IonicContact OE1-NZ 3.21Å; E261-K264 PolarHBondContact OE1-NZ 3Å; E261-K264 IonicContact OE2-NZ 2.73Å; E261-K264 PolarHBondContact OE2-NZ 3.31Å
262	L	93.5	Very high	92.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.9	-42.3	173.7	-75.9	165.4	0	0	0	111.9	Q214 V247 V249 Q258 M259 K264 G265 C266 I269 F279 I285	Q214-L262 WeakPolarHBondContact CG-O 3.28Å; V247-L262 HydrophobicContact CB-CD2 4.12Å; V247-L262 HydrophobicContact CG1-CD2 3.71Å; V247-L262 HydrophobicContact CG1-CG 4.01Å; V247-L262 HydrophobicContact CG2-CD2 4.41Å; V249-L262 HydrophobicContact CG2-CD1 4.32Å; V249-L262 HydrophobicContact CG2-CD2 4.31Å; Q258-L262 WeakPolarHBondContact O-CG 3.36Å; Q258-L262 PolarHBondContact O-N 2.95Å; M259-L262 PolarHBondContact O-N 2.9Å; M259-L262 VanDerWaalsContact O-N 3.16Å; L262-K264 PolarHBondContact O-N 3.41Å; L262-G265 PolarHBondContact O-N 2.99Å; L262-C266 HydrophobicContact CD2-CB 3.99Å; L262-I269 HydrophobicContact CD2-CD1 4.47Å; L262-F279 HydrophobicContact CD1-CD2 3.35Å; L262-F279 HydrophobicContact CD1-CE2 3.49Å; L262-F279 VanDerWaalsContact CD1-CE2 3.49Å; L262-F279 HydrophobicContact CD1-CG 4.28Å; L262-I285 HydrophobicContact CD1-CD1 3.88Å; L262-I285 HydrophobicContact CD1-CG1 4.3Å; L262-I285 HydrophobicContact CD2-CD1 4.11Å; L262-I285 HydrophobicContact CD2-CG1 4.37Å
263	N	92	Very high	93.4	Very high	46 Å²	46	40.2 Å²	40.2	25%	0.246	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-10.4	-179.5	-70.6	-9.1	0	0	0	114	P42 L212 M259 G265	P42-N263 WeakPolarHBondContact CB-O 2.9Å; P42-N263 WeakPolarHBondContact CG-O 3.33Å; L212-N263 HydrophobicContact CD1-CB 4.43Å; M259-N263 WeakPolarHBondContact O-CB 3.3Å; M259-N263 PolarHBondContact O-N 3.36Å; M259-N263 PolarHBondContact O-OD1 2.89Å; N263-G265 VanDerWaalsContact C-N 3.35Å
264	K	91.3	Very high	94.1	Very high	36 Å²	36	38.4 Å²	38.4	16%	0.157	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-7.3	172.1	-64.8	175.1	-170.8	169.7	0	113.5	S24 Q28 E261 L262	S24-K264 PolarHBondContact OG-NZ 3.44Å; Q28-K264 HydrophobicContact CG-CD 4.35Å; E261-K264 PolarHBondContact O-N 2.9Å; E261-K264 IonicContact OE1-NZ 3.21Å; E261-K264 PolarHBondContact OE1-NZ 3Å; E261-K264 IonicContact OE2-NZ 2.73Å; E261-K264 PolarHBondContact OE2-NZ 3.31Å; L262-K264 PolarHBondContact O-N 3.41Å
265	G	93.3	Very high	94.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.152	C	C	.	.			trans	117.2	133.2	-178.2	0	0	0	0	0	113.3	Q214 R245 L262 N263	Q214-G265 VanDerWaalsContact OE1-CA 3.22Å; R245-G265 WeakPolarHBondContact CD-O 3.43Å; R245-G265 WeakPolarHBondContact CG-O 3.16Å; R245-G265 PolarHBondContact NH1-O 3.37Å; L262-G265 PolarHBondContact O-N 2.99Å; N263-G265 VanDerWaalsContact C-N 3.35Å
266	C	95.8	Very high	94.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	14%	0.144	C	C	.	.			trans	-141.1	116.5	-176.3	-178.6	0	0	0	0	112.7	Q214 V247 L262 I269	Q214-C266 HydrophobicContact CB-CB 3.96Å; Q214-C266 HydrophobicContact CG-CB 4.05Å; V247-C266 HydrophobicContact CG2-CB 3.82Å; V247-C266 VanDerWaalsContact CG2-SG 3.58Å; L262-C266 HydrophobicContact CD2-CB 3.99Å; C266-I269 WeakPolarHBondContact SG-CG1 3.29Å
267	H	96.3	Very high	95	Very high	7 Å²	7	25.5 Å²	25.5	3%	0.032	12%	0.121	C	C	.	.	S	Bend	trans	-104.4	-29.5	179.8	-56.3	108.7	0	0	0	112.5	G43 W50 M203 P216 S217 V244 R245	G43-H267 PolarHBondContact O-CE1 3.34Å; G43-H267 PolarHBondContact O-NE2 3.31Å; W50-H267 AromaticContact CZ3-CD2 3.86Å; W50-H267 AromaticContact CZ3-NE2 3.81Å; M203-H267 VanDerWaalsContact CE-NE2 3.28Å; M203-H267 WeakPolarHBondContact CE-NE2 3.43Å; P216-H267 WeakPolarHBondContact CA-O 3.14Å; S217-H267 PolarHBondContact N-O 3.25Å; V244-H267 HydrophobicContact CG1-CB 3.91Å; R245-H267 PolarHBondContact N-ND1 3.09Å; R245-H267 PolarHBondContact O-N 2.84Å
268	F	97.6	Very high	95.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	122.9	-173.5	-152.9	-55.3	0	0	0	109.1	L187 T190 L194 I220 L235 V244 R245 P246 V247	L187-F268 HydrophobicContact CD2-CZ 4.24Å; T190-F268 HydrophobicContact CG2-CE2 3.83Å; T190-F268 HydrophobicContact CG2-CZ 3.8Å; L194-F268 HydrophobicContact CD2-CD2 3.92Å; I220-F268 HydrophobicContact CD1-CE1 3.45Å; I220-F268 VanDerWaalsContact CD1-CE1 3.45Å; I220-F268 HydrophobicContact CD1-CZ 3.97Å; I220-F268 HydrophobicContact CG1-CE1 3.82Å; I220-F268 HydrophobicContact CG1-CZ 4.42Å; L235-F268 HydrophobicContact CD1-CD2 4.44Å; L235-F268 HydrophobicContact CD1-CE2 4.49Å; L235-F268 HydrophobicContact CD2-CB 4.36Å; L235-F268 HydrophobicContact CD2-CD1 3.66Å; L235-F268 HydrophobicContact CD2-CD2 4.4Å; L235-F268 HydrophobicContact CD2-CE1 4.05Å; L235-F268 HydrophobicContact CD2-CG 3.88Å; V244-F268 HydrophobicContact CG1-CB 4.44Å; R245-F268 PolarHBondContact O-N 3.12Å; P246-F268 CarbonylContact C-O 3.59Å; P246-F268 VanDerWaalsContact CA-O 3.25Å; P246-F268 WeakPolarHBondContact CA-O 3.48Å; P246-F268 HydrophobicContact CB-CB 4.32Å; V247-F268 PolarHBondContact N-O 3.48Å
269	I	97.9	Very high	95.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.6	179	-69.3	-173	0	0	0	111	P216 S218 V219 I220 V247 V249 L262 C266 A271 L276 I285	P216-I269 HydrophobicContact CB-CD1 4.06Å; P216-I269 HydrophobicContact CB-CG1 3.87Å; P216-I269 HydrophobicContact CG-CD1 3.69Å; P216-I269 HydrophobicContact CG-CG1 4.08Å; S218-I269 PolarHBondContact O-N 2.54Å; V219-I269 CarbonylContact C-O 3.55Å; V219-I269 WeakPolarHBondContact CA-O 3.33Å; V219-I269 HydrophobicContact CG2-CB 4.34Å; I220-I269 PolarHBondContact N-O 3.08Å; V247-I269 WeakPolarHBondContact O-CA 3.32Å; V249-I269 HydrophobicContact CG2-CG2 4.35Å; L262-I269 HydrophobicContact CD2-CD1 4.47Å; C266-I269 WeakPolarHBondContact SG-CG1 3.29Å; I269-A271 HydrophobicContact CG2-CB 3.71Å; I269-L276 HydrophobicContact CD1-CD1 4.36Å; I269-L276 HydrophobicContact CG2-CD1 4.32Å; I269-I285 HydrophobicContact CD1-CD1 3.69Å; I269-I285 HydrophobicContact CD1-CG1 4.31Å; I269-I285 HydrophobicContact CD1-CG2 4.08Å
270	V	98.2	Very high	95.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.1	164.1	-169.7	0	0	0	0	107.6	I220 V222 V228 I231 L232 L235 V247 G248 V249	I220-V270 HydrophobicContact CB-CG1 4.27Å; I220-V270 HydrophobicContact CD1-CG2 4.15Å; I220-V270 HydrophobicContact CG2-CG1 4.3Å; V222-V270 HydrophobicContact CG2-CG1 4.48Å; V228-V270 HydrophobicContact CB-CG1 4.17Å; V228-V270 HydrophobicContact CG1-CB 3.98Å; V228-V270 HydrophobicContact CG1-CG1 3.77Å; V228-V270 WeakPolarHBondContact CG1-O 3.43Å; V228-V270 HydrophobicContact CG2-CG1 4.25Å; I231-V270 HydrophobicContact CB-CG1 4Å; I231-V270 HydrophobicContact CD1-CG1 4.33Å; I231-V270 HydrophobicContact CG2-CG1 3.86Å; I231-V270 HydrophobicContact CG2-CG2 3.95Å; L232-V270 HydrophobicContact CD2-CB 4.17Å; L232-V270 HydrophobicContact CD2-CG2 3.76Å; L232-V270 HydrophobicContact CG-CB 4.21Å; L232-V270 HydrophobicContact CG-CG2 4.17Å; L235-V270 HydrophobicContact CD2-CG2 4.04Å; V247-V270 PolarHBondContact O-N 2.98Å; G248-V270 CarbonylContact C-O 3.48Å; G248-V270 VanDerWaalsContact CA-O 3.3Å; G248-V270 WeakPolarHBondContact CA-O 3.14Å; V249-V270 PolarHBondContact N-O 3.47Å
271	A	97.8	Very high	95.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	151.2	-168.2	0	0	0	0	0	115.9	I220 L221 V222 V249 I269 L276	I220-A271 PolarHBondContact O-N 3.37Å; L221-A271 WeakPolarHBondContact CA-O 3.35Å; V222-A271 WeakPolarHBondContact CG2-O 3.39Å; V222-A271 PolarHBondContact N-O 3.39Å; V249-A271 HydrophobicContact CB-CB 3.82Å; V249-A271 HydrophobicContact CG1-CB 4.32Å; V249-A271 CarbonylContact O-C 3.57Å; V249-A271 WeakPolarHBondContact O-CA 3.49Å; V249-A271 WeakPolarHBondContact O-CB 3.41Å; I269-A271 HydrophobicContact CG2-CB 3.71Å; A271-L276 HydrophobicContact CB-CB 3.88Å; A271-L276 HydrophobicContact CB-CD2 4.26Å; A271-L276 HydrophobicContact CB-CG 4.44Å
272	T	96.7	Very high	95.9	Very high	10 Å²	10	21.3 Å²	21.3	6%	0.061	10%	0.104	C	C	.	.			trans	-82.7	136.3	160	62.2	0	0	0	0	109.7	V222 V228 V249 F250 G251 G274 R275 L276	V222-T272 WeakPolarHBondContact O-CA 3.47Å; V228-T272 HydrophobicContact CG2-CG2 4.04Å; V249-T272 PolarHBondContact O-N 3.5Å; F250-T272 WeakPolarHBondContact CA-OG1 3.37Å; F250-T272 HydrophobicContact CB-CG2 3.91Å; G251-T272 PolarHBondContact N-OG1 2.82Å; T272-G274 VanDerWaalsContact C-N 3.35Å; T272-G274 PolarHBondContact O-N 2.84Å; T272-R275 PolarHBondContact O-N 3.49Å; T272-L276 PolarHBondContact O-N 3.18Å
273	P	97	Very high	95.9	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-50.1	-48.5	-174.4	-30.5	35	0	0	0	114.1	V222 R275 L276 L277 M301 F306 Q309 I310 I313	V222-P273 VanDerWaalsContact O-CD 3.29Å; V222-P273 WeakPolarHBondContact O-CD 3.47Å; P273-R275 PolarHBondContact O-N 2.94Å; P273-L276 PolarHBondContact O-N 3.33Å; P273-L277 WeakPolarHBondContact O-CB 3.4Å; P273-L277 PolarHBondContact O-N 3.4Å; P273-M301 HydrophobicContact CG-SD 3.91Å; P273-F306 HydrophobicContact CB-CB 4.16Å; P273-F306 HydrophobicContact CB-CD1 3.99Å; P273-F306 HydrophobicContact CB-CG 4.12Å; P273-F306 HydrophobicContact CG-CB 3.99Å; P273-F306 HydrophobicContact CG-CD1 4.3Å; P273-F306 HydrophobicContact CG-CD2 4.32Å; P273-F306 HydrophobicContact CG-CG 3.97Å; P273-Q309 HydrophobicContact CB-CB 4.1Å; P273-I310 HydrophobicContact CB-CG1 4.05Å; P273-I310 HydrophobicContact CG-CD1 4.29Å; P273-I310 HydrophobicContact CG-CG1 3.83Å; P273-I313 HydrophobicContact CB-CD1 4.07Å; P273-I313 WeakPolarHBondContact O-CD1 3.46Å
274	G	95.6	Very high	96	Very high	32 Å²	32	23.5 Å²	23.5	33%	0.33	12%	0.116	S	C	.	.	H	α-helix	trans	-57.8	-43.4	-177.1	0	0	0	0	0	114.5	T272 D278	T272-G274 VanDerWaalsContact C-N 3.35Å; T272-G274 PolarHBondContact O-N 2.84Å; G274-D278 PolarHBondContact O-N 3.28Å
275	R	96	Very high	96.2	Very high	31 Å²	31	21.9 Å²	21.9	12%	0.117	11%	0.11	C	C	.	.	H	α-helix	trans	-76	-35.9	179.5	-179.3	58.6	65.4	85.6	-5.7	112.3	V249 F250 E253 Q258 T272 P273 L277 D278 F279	V249-R275 HydrophobicContact CG1-CB 4.13Å; V249-R275 HydrophobicContact CG1-CG 3.5Å; V249-R275 VanDerWaalsContact CG1-CG 3.5Å; F250-R275 PolarHBondContact O-NH1 3.25Å; E253-R275 PolarHBondContact O-NH1 2.96Å; E253-R275 PolarHBondContact O-NH2 3.13Å; Q258-R275 VanDerWaalsContact CD-NH1 3.3Å; T272-R275 PolarHBondContact O-N 3.49Å; P273-R275 PolarHBondContact O-N 2.94Å; R275-L277 VanDerWaalsContact C-N 3.31Å; R275-D278 PolarHBondContact O-N 3.38Å; R275-F279 HydrophobicContact CG-CE2 4.41Å; R275-F279 PolarHBondContact O-N 3.23Å
276	L	97.8	Very high	96.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.2	-45	174.8	-178.1	60	0	0	0	110.7	V219 L221 I269 A271 T272 P273 D278 F279 L280 I285 I313	V219-L276 HydrophobicContact CG1-CD2 3.97Å; L221-L276 HydrophobicContact CD2-CD2 3.54Å; I269-L276 HydrophobicContact CD1-CD1 4.36Å; I269-L276 HydrophobicContact CG2-CD1 4.32Å; A271-L276 HydrophobicContact CB-CB 3.88Å; A271-L276 HydrophobicContact CB-CD2 4.26Å; A271-L276 HydrophobicContact CB-CG 4.44Å; T272-L276 PolarHBondContact O-N 3.18Å; P273-L276 PolarHBondContact O-N 3.33Å; L276-D278 VanDerWaalsContact C-N 3.34Å; L276-D278 PolarHBondContact O-N 3.44Å; L276-F279 PolarHBondContact O-N 3.14Å; L276-F279 VanDerWaalsContact O-N 3.15Å; L276-L280 HydrophobicContact CD1-CD1 4.44Å; L276-L280 HydrophobicContact CD1-CG 4.34Å; L276-L280 HydrophobicContact CD2-CD1 4.48Å; L276-L280 HydrophobicContact CG-CD1 3.91Å; L276-L280 HydrophobicContact CG-CG 4.29Å; L276-L280 WeakPolarHBondContact O-CG 3.24Å; L276-L280 PolarHBondContact O-N 2.83Å; L276-I285 HydrophobicContact CD1-CD1 3.89Å; L276-I313 HydrophobicContact CB-CD1 4.34Å; L276-I313 HydrophobicContact CD2-CD1 4.27Å; L276-I313 HydrophobicContact CD2-CG2 4.18Å; L276-I313 HydrophobicContact CG-CD1 4.47Å
277	L	97.5	Very high	96.4	Very high	10 Å²	10	22.1 Å²	22.1	5%	0.052	11%	0.111	C	C	.	.	H	α-helix	trans	-60	-40.2	177.3	-179.9	63	0	0	0	112.8	P273 R275 F279 L280 K281 Q309 Q312 I313 F319	P273-L277 WeakPolarHBondContact O-CB 3.4Å; P273-L277 PolarHBondContact O-N 3.4Å; R275-L277 VanDerWaalsContact C-N 3.31Å; L277-F279 VanDerWaalsContact C-N 3.35Å; L277-L280 PolarHBondContact O-N 3.43Å; L277-K281 HydrophobicContact CD1-CD 4.44Å; L277-K281 HydrophobicContact CD1-CG 4.43Å; L277-K281 HydrophobicContact CG-CD 4.28Å; L277-K281 WeakPolarHBondContact O-CB 3.37Å; L277-K281 VanDerWaalsContact O-CG 3.29Å; L277-K281 WeakPolarHBondContact O-CG 3.2Å; L277-K281 PolarHBondContact O-N 3.14Å; L277-Q309 HydrophobicContact CD2-CB 3.95Å; L277-Q309 HydrophobicContact CD2-CG 3.79Å; L277-Q312 HydrophobicContact CD1-CB 3.95Å; L277-Q312 HydrophobicContact CD2-CB 4.32Å; L277-Q312 VanDerWaalsContact CD2-OE1 3.27Å; L277-I313 HydrophobicContact CB-CD1 4.21Å; L277-I313 HydrophobicContact CB-CG1 4.05Å; L277-I313 HydrophobicContact CD1-CG1 4.16Å; L277-F319 HydrophobicContact CD1-CE2 3.56Å; L277-F319 HydrophobicContact CD1-CZ 3.8Å
278	D	96.3	Very high	96.4	Very high	47 Å²	47	26.5 Å²	26.5	25%	0.251	13%	0.13	S	C	.	.	H	α-helix	trans	-57.6	-47.3	173.3	-179.9	17.7	0	0	0	111	G274 R275 L276 K281 R282	G274-D278 PolarHBondContact O-N 3.28Å; R275-D278 PolarHBondContact O-N 3.38Å; L276-D278 VanDerWaalsContact C-N 3.34Å; L276-D278 PolarHBondContact O-N 3.44Å; D278-K281 WeakPolarHBondContact O-CB 3.38Å; D278-K281 PolarHBondContact O-N 3.47Å; D278-R282 WeakPolarHBondContact O-CG 3.09Å; D278-R282 PolarHBondContact O-N 2.92Å; D278-R282 IonicContact OD1-CZ 2.77Å; D278-R282 IonicContact OD1-NE 3.27Å; D278-R282 PolarHBondContact OD1-NE 3.31Å; D278-R282 IonicContact OD1-NH2 2.87Å; D278-R282 PolarHBondContact OD1-NH2 3.42Å; D278-R282 VanDerWaalsContact OD1-NH2 3.12Å; D278-R282 IonicContact OD2-CZ 3.25Å; D278-R282 IonicContact OD2-NE 2.77Å; D278-R282 IonicContact OD2-NH2 3.58Å; D278-R282 PolarHBondContact OD2-NH2 3.06Å
279	F	96.7	Very high	96.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-68.7	-37.2	179.3	-74.5	-3.8	0	0	0	114	V249 P255 Q258 L262 R275 L276 L277 K281 R282 D283 C284 I285	V249-F279 HydrophobicContact CG1-CD2 3.47Å; V249-F279 VanDerWaalsContact CG1-CD2 3.47Å; V249-F279 HydrophobicContact CG1-CE2 3.75Å; V249-F279 HydrophobicContact CG1-CG 4.4Å; V249-F279 HydrophobicContact CG2-CD2 4.21Å; V249-F279 HydrophobicContact CG2-CE2 4.3Å; P255-F279 HydrophobicContact CB-CE1 4.07Å; P255-F279 HydrophobicContact CB-CZ 4.46Å; Q258-F279 HydrophobicContact CB-CE2 3.75Å; Q258-F279 HydrophobicContact CB-CZ 3.73Å; L262-F279 HydrophobicContact CD1-CD2 3.35Å; L262-F279 HydrophobicContact CD1-CE2 3.49Å; L262-F279 VanDerWaalsContact CD1-CE2 3.49Å; L262-F279 HydrophobicContact CD1-CG 4.28Å; R275-F279 HydrophobicContact CG-CE2 4.41Å; R275-F279 PolarHBondContact O-N 3.23Å; L276-F279 PolarHBondContact O-N 3.14Å; L276-F279 VanDerWaalsContact O-N 3.15Å; L277-F279 VanDerWaalsContact C-N 3.35Å; F279-K281 VanDerWaalsContact C-N 3.32Å; F279-K281 PolarHBondContact O-N 3.46Å; F279-R282 CarbonylContact O-C 3.5Å; F279-R282 PolarHBondContact O-N 3.19Å; F279-D283 PolarHBondContact O-N 3.24Å; F279-C284 VanDerWaalsContact CB-SG 3.53Å; F279-C284 PolarHBondContact O-N 3.18Å; F279-C284 PolarHBondContact O-SG 3.18Å; F279-I285 HydrophobicContact CB-CD1 3.88Å; F279-I285 HydrophobicContact CD2-CD1 4.31Å
280	L	97.2	Very high	96.2	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-63.1	-39.3	171.2	-70.9	170	0	0	0	111.7	L276 L277 R282 D283 I285 L287 I313 F319	L276-L280 HydrophobicContact CD1-CD1 4.44Å; L276-L280 HydrophobicContact CD1-CG 4.34Å; L276-L280 HydrophobicContact CD2-CD1 4.48Å; L276-L280 HydrophobicContact CG-CD1 3.91Å; L276-L280 HydrophobicContact CG-CG 4.29Å; L276-L280 WeakPolarHBondContact O-CG 3.24Å; L276-L280 PolarHBondContact O-N 2.83Å; L277-L280 PolarHBondContact O-N 3.43Å; L280-R282 VanDerWaalsContact C-N 3.31Å; L280-R282 PolarHBondContact O-N 3.11Å; L280-D283 PolarHBondContact O-N 3.08Å; L280-D283 VanDerWaalsContact O-N 3.11Å; L280-I285 HydrophobicContact CD2-CB 3.94Å; L280-I285 HydrophobicContact CD2-CG2 3.87Å; L280-I285 WeakPolarHBondContact CD2-O 3.49Å; L280-L287 HydrophobicContact CD1-CD1 4.07Å; L280-L287 HydrophobicContact CD2-CD1 4.23Å; L280-L287 HydrophobicContact CD2-CD2 4.23Å; L280-L287 HydrophobicContact CD2-CG 3.86Å; L280-I313 HydrophobicContact CD1-CB 4.35Å; L280-I313 HydrophobicContact CD1-CG1 3.97Å; L280-I313 HydrophobicContact CD1-CG2 3.9Å; L280-F319 HydrophobicContact CB-CD1 3.59Å; L280-F319 HydrophobicContact CB-CD2 4.35Å; L280-F319 HydrophobicContact CB-CE1 3.54Å; L280-F319 HydrophobicContact CB-CE2 4.3Å; L280-F319 HydrophobicContact CB-CG 4.01Å; L280-F319 HydrophobicContact CB-CZ 3.91Å; L280-F319 HydrophobicContact CD1-CB 4.39Å; L280-F319 HydrophobicContact CD1-CD1 4.47Å; L280-F319 HydrophobicContact CD1-CD2 4.01Å; L280-F319 HydrophobicContact CD1-CE2 4.42Å; L280-F319 HydrophobicContact CD1-CG 4.03Å; L280-F319 HydrophobicContact CD2-CB 4.28Å; L280-F319 HydrophobicContact CD2-CD1 4.31Å; L280-F319 HydrophobicContact CD2-CG 4.31Å; L280-F319 HydrophobicContact CG-CD1 4.34Å; L280-F319 HydrophobicContact CG-CG 4.36Å
281	K	96.1	Very high	96.1	Very high	113 Å²	113	28.9 Å²	28.9	49%	0.491	14%	0.14	S	C	.	.	H	α-helix	trans	-65.3	-34.5	176	-76.7	175.2	179.9	176.4	0	112.5	L277 D278 F279 D283 F319	L277-K281 HydrophobicContact CD1-CD 4.44Å; L277-K281 HydrophobicContact CD1-CG 4.43Å; L277-K281 HydrophobicContact CG-CD 4.28Å; L277-K281 WeakPolarHBondContact O-CB 3.37Å; L277-K281 VanDerWaalsContact O-CG 3.29Å; L277-K281 WeakPolarHBondContact O-CG 3.2Å; L277-K281 PolarHBondContact O-N 3.14Å; D278-K281 WeakPolarHBondContact O-CB 3.38Å; D278-K281 PolarHBondContact O-N 3.47Å; F279-K281 VanDerWaalsContact C-N 3.32Å; F279-K281 PolarHBondContact O-N 3.46Å; K281-D283 PolarHBondContact O-N 3.32Å; K281-F319 HydrophobicContact CG-CZ 4.09Å
282	R	94.3	Very high	96	Very high	112 Å²	112	29.2 Å²	29.2	42%	0.423	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	0.4	173.4	-64.9	178.8	-161.2	-148	6.3	114.2	D278 F279 L280 C284	D278-R282 WeakPolarHBondContact O-CG 3.09Å; D278-R282 PolarHBondContact O-N 2.92Å; D278-R282 IonicContact OD1-CZ 2.77Å; D278-R282 IonicContact OD1-NE 3.27Å; D278-R282 PolarHBondContact OD1-NE 3.31Å; D278-R282 IonicContact OD1-NH2 2.87Å; D278-R282 PolarHBondContact OD1-NH2 3.42Å; D278-R282 VanDerWaalsContact OD1-NH2 3.12Å; D278-R282 IonicContact OD2-CZ 3.25Å; D278-R282 IonicContact OD2-NE 2.77Å; D278-R282 IonicContact OD2-NH2 3.58Å; D278-R282 PolarHBondContact OD2-NH2 3.06Å; F279-R282 CarbonylContact O-C 3.5Å; F279-R282 PolarHBondContact O-N 3.19Å; L280-R282 VanDerWaalsContact C-N 3.31Å; L280-R282 PolarHBondContact O-N 3.11Å; R282-C284 PolarHBondContact O-N 2.66Å
283	D	93.4	Very high	96.1	Very high	77 Å²	77	28.8 Å²	28.8	41%	0.412	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	22.5	173.8	-164	30.8	0	0	0	114.8	R213 F279 L280 K281	R213-D283 IonicContact CZ-OD1 3.59Å; R213-D283 IonicContact CZ-OD2 2.83Å; R213-D283 PolarHBondContact NE-O 3.11Å; R213-D283 IonicContact NE-OD1 3.05Å; R213-D283 PolarHBondContact NE-OD1 2.98Å; R213-D283 IonicContact NE-OD2 3.56Å; R213-D283 IonicContact NH2-OD1 2.66Å; R213-D283 PolarHBondContact NH2-OD1 3.16Å; R213-D283 IonicContact NH2-OD2 2.94Å; R213-D283 PolarHBondContact NH2-OD2 3.21Å; F279-D283 PolarHBondContact O-N 3.24Å; L280-D283 PolarHBondContact O-N 3.08Å; L280-D283 VanDerWaalsContact O-N 3.11Å; K281-D283 PolarHBondContact O-N 3.32Å
284	C	93.3	Very high	96.1	Very high	15 Å²	15	28.9 Å²	28.9	10%	0.101	14%	0.139	C	C	.	.	S	Bend	trans	-88	-11.2	176.2	64.1	0	0	0	0	113.4	R213 Q214 M259 F279 R282	R213-C284 WeakPolarHBondContact CA-O 3.38Å; Q214-C284 PolarHBondContact N-O 2.81Å; M259-C284 HydrophobicContact SD-CB 4.06Å; F279-C284 VanDerWaalsContact CB-SG 3.53Å; F279-C284 PolarHBondContact O-N 3.18Å; F279-C284 PolarHBondContact O-SG 3.18Å; R282-C284 PolarHBondContact O-N 2.66Å
285	I	96.5	Very high	96.2	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.015	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-132.9	139.9	176.5	-60.6	165.5	0	0	0	108.4	Q214 P216 L262 I269 L276 F279 L280 L287	Q214-I285 WeakPolarHBondContact O-CA 3.3Å; P216-I285 HydrophobicContact CG-CG2 4.04Å; L262-I285 HydrophobicContact CD1-CD1 3.88Å; L262-I285 HydrophobicContact CD1-CG1 4.3Å; L262-I285 HydrophobicContact CD2-CD1 4.11Å; L262-I285 HydrophobicContact CD2-CG1 4.37Å; I269-I285 HydrophobicContact CD1-CD1 3.69Å; I269-I285 HydrophobicContact CD1-CG1 4.31Å; I269-I285 HydrophobicContact CD1-CG2 4.08Å; L276-I285 HydrophobicContact CD1-CD1 3.89Å; F279-I285 HydrophobicContact CB-CD1 3.88Å; F279-I285 HydrophobicContact CD2-CD1 4.31Å; L280-I285 HydrophobicContact CD2-CB 3.94Å; L280-I285 HydrophobicContact CD2-CG2 3.87Å; L280-I285 WeakPolarHBondContact CD2-O 3.49Å; I285-L287 HydrophobicContact CG2-CD2 3.89Å
286	S	95.9	Very high	96.1	Very high	5 Å²	5	26.1 Å²	26.1	4%	0.035	12%	0.119	C	C	.	.			trans	-123.2	137.1	163.9	165.9	0	0	0	0	109.9	Q214 P216 K288 Q320	Q214-S286 PolarHBondContact O-N 3.15Å; P216-S286 WeakPolarHBondContact CD-O 3.46Å; S286-K288 VanDerWaalsContact C-N 3.31Å; S286-K288 WeakPolarHBondContact OG-CB 3.18Å; S286-K288 PolarHBondContact OG-N 2.99Å; S286-Q320 PolarHBondContact OG-OE1 3.3Å
287	L	97.3	Very high	95.8	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.123	C	C	.	.			trans	-92.4	8.8	-179.3	-54.6	-176.7	0	0	0	112.7	P216 V219 L280 I285 F289 C290 I313 F319 M321 P322	P216-L287 HydrophobicContact CG-CD2 4.07Å; V219-L287 HydrophobicContact CG2-CD2 3.84Å; L280-L287 HydrophobicContact CD1-CD1 4.07Å; L280-L287 HydrophobicContact CD2-CD1 4.23Å; L280-L287 HydrophobicContact CD2-CD2 4.23Å; L280-L287 HydrophobicContact CD2-CG 3.86Å; I285-L287 HydrophobicContact CG2-CD2 3.89Å; L287-F289 PolarHBondContact O-N 3.29Å; L287-C290 HydrophobicContact CB-CB 4.28Å; L287-C290 VanDerWaalsContact O-CB 3.22Å; L287-C290 WeakPolarHBondContact O-CB 3.5Å; L287-C290 PolarHBondContact O-N 3.42Å; L287-I313 HydrophobicContact CD1-CG2 3.79Å; L287-F319 WeakPolarHBondContact CB-O 3.38Å; L287-F319 PolarHBondContact N-O 2.89Å; L287-M321 HydrophobicContact CB-CB 4.18Å; L287-M321 HydrophobicContact CB-CE 4.48Å; L287-M321 HydrophobicContact CB-SD 4.02Å; L287-M321 HydrophobicContact CD1-CB 4.4Å; L287-M321 HydrophobicContact CD1-CE 3.7Å; L287-M321 HydrophobicContact CD1-SD 4.27Å; L287-P322 VanDerWaalsContact O-CD 3.28Å; L287-P322 WeakPolarHBondContact O-CD 3.34Å
288	K	95.6	Very high	95.5	Very high	100 Å²	100	26.5 Å²	26.5	44%	0.435	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-36.5	-175.5	-171.6	176.6	173.9	-177.6	0	114.9	S286 Q320 P322	S286-K288 VanDerWaalsContact C-N 3.31Å; S286-K288 WeakPolarHBondContact OG-CB 3.18Å; S286-K288 PolarHBondContact OG-N 2.99Å; K288-Q320 WeakPolarHBondContact CA-O 3.24Å; K288-Q320 HydrophobicContact CB-CB 3.98Å; K288-Q320 HydrophobicContact CG-CB 4.37Å; K288-Q320 PolarHBondContact N-O 3.29Å; K288-P322 WeakPolarHBondContact O-CG 3.06Å
289	F	95	Very high	95	Very high	15 Å²	15	24.7 Å²	24.7	7%	0.066	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	18.7	-175.9	-49.3	-64.9	0	0	0	112.9	E201 A202 S205 Y215 L287 R291	E201-F289 HydrophobicContact CB-CD1 3.45Å; E201-F289 VanDerWaalsContact CB-CD1 3.45Å; E201-F289 HydrophobicContact CB-CE1 3.47Å; E201-F289 VanDerWaalsContact CB-CE1 3.47Å; E201-F289 HydrophobicContact CB-CG 4.08Å; E201-F289 HydrophobicContact CB-CZ 4.12Å; E201-F289 HydrophobicContact CG-CD1 4.41Å; E201-F289 HydrophobicContact CG-CE1 4.41Å; A202-F289 HydrophobicContact CB-CB 3.98Å; A202-F289 HydrophobicContact CB-CD2 3.96Å; A202-F289 HydrophobicContact CB-CG 4.21Å; S205-F289 WeakPolarHBondContact OG-CE2 3.29Å; S205-F289 WeakPolarHBondContact OG-CZ 3.15Å; Y215-F289 AromaticContact CD1-CD2 3.68Å; Y215-F289 HydrophobicContact CD1-CD2 3.68Å; Y215-F289 AromaticContact CD1-CE2 3.7Å; Y215-F289 HydrophobicContact CD1-CE2 3.7Å; Y215-F289 HydrophobicContact CE1-CD2 4.48Å; Y215-F289 HydrophobicContact CE1-CE2 4.06Å; Y215-F289 HydrophobicContact CG-CD2 4.12Å; Y215-F289 HydrophobicContact CG-CE2 4.31Å; L287-F289 PolarHBondContact O-N 3.29Å; F289-R291 PolarHBondContact O-N 3Å; F289-R291 VanDerWaalsContact O-N 3.17Å
290	C	96.2	Very high	94.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	11%	0.114	C	C	.	.			trans	-71.7	106.7	173.6	-177.1	0	0	0	0	109.4	L287 S292 M321 P322	L287-C290 HydrophobicContact CB-CB 4.28Å; L287-C290 VanDerWaalsContact O-CB 3.22Å; L287-C290 WeakPolarHBondContact O-CB 3.5Å; L287-C290 PolarHBondContact O-N 3.42Å; C290-S292 PolarHBondContact SG-O 2.92Å; C290-M321 HydrophobicContact CB-SD 3.75Å; C290-P322 WeakPolarHBondContact O-CG 3.3Å
291	R	95.3	Very high	94.2	Very high	35 Å²	35	25.3 Å²	25.3	13%	0.132	11%	0.114	C	C	.	.			trans	-98.3	-10.2	180	-59.4	-57.9	176.9	-137.6	-4.4	113	T167 E201 S217 F289 C328 R329 Q330	T167-R291 HydrophobicContact CG2-CB 4.23Å; T167-R291 HydrophobicContact CG2-CG 4.42Å; E201-R291 IonicContact OE1-NH2 3.15Å; E201-R291 IonicContact OE2-CZ 3.57Å; E201-R291 IonicContact OE2-NE 2.78Å; E201-R291 IonicContact OE2-NH2 2.85Å; E201-R291 PolarHBondContact OE2-NH2 3.48Å; S217-R291 PolarHBondContact O-N 3.04Å; F289-R291 PolarHBondContact O-N 3Å; F289-R291 VanDerWaalsContact O-N 3.17Å; R291-C328 WeakPolarHBondContact CD-O 3.32Å; R291-C328 PolarHBondContact NH1-O 2.94Å; R291-C328 VanDerWaalsContact NH1-O 3.13Å; R291-R329 CarbonylContact O-C 3.54Å; R291-R329 WeakPolarHBondContact O-CA 3.46Å; R291-Q330 PolarHBondContact O-N 3.36Å
292	S	97	Very high	93.8	Very high	6 Å²	6	21 Å²	21	4%	0.042	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	115.4	178.1	-55.5	0	0	0	0	111.1	S217 S218 V219 C290 Q330	S217-S292 PolarHBondContact O-N 2.92Å; S218-S292 CarbonylContact C-O 3.48Å; S218-S292 VanDerWaalsContact CA-O 3.29Å; S218-S292 WeakPolarHBondContact CA-O 3.24Å; V219-S292 PolarHBondContact N-O 3.49Å; C290-S292 PolarHBondContact SG-O 2.92Å; S292-Q330 WeakPolarHBondContact CA-O 3.16Å
293	L	98	Very high	93.2	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.5	175.7	174.5	63.7	0	0	0	109.3	V219 L221 L295 L314 M321 Q330 T331 A332	V219-L293 HydrophobicContact CB-CD1 4.4Å; V219-L293 HydrophobicContact CG1-CD1 4.41Å; V219-L293 WeakPolarHBondContact O-CA 3.45Å; L221-L293 HydrophobicContact CG-CD1 4.43Å; L293-L295 HydrophobicContact CD1-CD2 4.35Å; L293-L314 HydrophobicContact CD1-CD2 4.13Å; L293-L314 HydrophobicContact CD2-CD1 3.87Å; L293-L314 HydrophobicContact CD2-CD2 3.53Å; L293-L314 HydrophobicContact CD2-CG 4.38Å; L293-L314 HydrophobicContact CG-CD2 4.48Å; L293-M321 HydrophobicContact CD1-CE 3.9Å; L293-M321 HydrophobicContact CD2-CE 4.24Å; L293-M321 HydrophobicContact CG-CE 4.46Å; L293-Q330 PolarHBondContact N-O 3.09Å; L293-T331 HydrophobicContact CB-CG2 4.38Å; L293-T331 HydrophobicContact CD2-CG2 4.04Å; L293-T331 HydrophobicContact CG-CG2 4.2Å; L293-T331 CarbonylContact O-C 3.58Å; L293-T331 VanDerWaalsContact O-CA 3.27Å; L293-T331 WeakPolarHBondContact O-CA 3.39Å; L293-A332 PolarHBondContact O-N 3.04Å
294	I	98.1	Very high	92.6	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.01	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.7	173.9	-60.3	92.6	0	0	0	109	Y186 T190 V219 I220 L221 D296 A332 F334	Y186-I294 HydrophobicContact CD1-CG2 4.04Å; Y186-I294 HydrophobicContact CD2-CG1 4.18Å; Y186-I294 HydrophobicContact CD2-CG2 3.98Å; Y186-I294 HydrophobicContact CE1-CG2 4.19Å; Y186-I294 HydrophobicContact CE2-CG2 4.2Å; Y186-I294 HydrophobicContact CG-CG1 4.37Å; Y186-I294 HydrophobicContact CG-CG2 3.93Å; T190-I294 HydrophobicContact CG2-CD1 4.15Å; V219-I294 PolarHBondContact O-N 2.94Å; I220-I294 CarbonylContact C-O 3.39Å; I220-I294 WeakPolarHBondContact CA-O 3.18Å; I220-I294 HydrophobicContact CB-CB 4.37Å; I220-I294 HydrophobicContact CG1-CB 3.87Å; I220-I294 HydrophobicContact CG1-CD1 3.82Å; I220-I294 HydrophobicContact CG1-CG1 4.25Å; I220-I294 HydrophobicContact CG1-CG2 4.44Å; I220-I294 HydrophobicContact CG2-CB 4.34Å; I220-I294 HydrophobicContact CG2-CG2 4.29Å; L221-I294 PolarHBondContact N-O 3.11Å; I294-D296 HydrophobicContact CG2-CB 4.44Å; I294-A332 CarbonylContact C-O 3.53Å; I294-A332 VanDerWaalsContact CA-O 3.29Å; I294-A332 WeakPolarHBondContact CA-O 3.02Å; I294-A332 HydrophobicContact CG1-CB 4.35Å; I294-F334 HydrophobicContact CG2-CD2 4.4Å
295	L	97.2	Very high	92.2	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	104.1	170.1	-57.1	179	0	0	0	107.6	L221 L293 M301 A332 L333 F334 L345	L221-L295 HydrophobicContact CB-CD2 3.83Å; L221-L295 HydrophobicContact CD1-CD2 3.69Å; L221-L295 HydrophobicContact CG-CD2 4.05Å; L293-L295 HydrophobicContact CD1-CD2 4.35Å; L295-M301 HydrophobicContact CB-CE 3.92Å; L295-M301 HydrophobicContact CD2-CE 4.24Å; L295-A332 PolarHBondContact N-O 3.32Å; L295-L333 HydrophobicContact CB-CG 4.27Å; L295-L333 HydrophobicContact CD1-CD1 4.15Å; L295-L333 WeakPolarHBondContact O-CA 3.44Å; L295-F334 PolarHBondContact O-N 3.24Å; L295-L345 HydrophobicContact CD1-CD2 4.13Å
296	D	94.7	Very high	92	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.021	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.8	-178.9	-166.6	9.7	0	0	0	110.7	Y186 L221 V222 P223 I294	Y186-D296 HydrophobicContact CE1-CB 4.22Å; Y186-D296 WeakPolarHBondContact CE1-OD2 3.39Å; Y186-D296 PolarHBondContact OH-OD2 3.25Å; L221-D296 PolarHBondContact O-N 3.25Å; V222-D296 HydrophobicContact CG1-CB 3.89Å; P223-D296 VanDerWaalsContact CD-O 3.22Å; P223-D296 WeakPolarHBondContact CD-O 3.43Å; I294-D296 HydrophobicContact CG2-CB 4.44Å
297	E	90.2	Very high	91.8	Very high	18 Å²	18	24.7 Å²	24.7	8%	0.084	13%	0.129	C	C	.	.	S	Bend	trans	51.9	54.3	-166.4	-58.9	-170.1	166.1	0	0	112.1	P223 L227 R300 M301 F334	P223-E297 HydrophobicContact CG-CB 3.71Å; P223-E297 HydrophobicContact CG-CG 4.49Å; P223-E297 VanDerWaalsContact CG-OE2 3.28Å; P223-E297 WeakPolarHBondContact CG-OE2 3.39Å; L227-E297 HydrophobicContact CD2-CB 4.38Å; L227-E297 HydrophobicContact CD2-CG 3.79Å; E297-R300 HydrophobicContact CB-CB 4.11Å; E297-R300 PolarHBondContact O-N 3.03Å; E297-R300 IonicContact OE1-NH1 2.98Å; E297-R300 IonicContact OE2-CZ 2.74Å; E297-R300 VanDerWaalsContact OE2-CZ 3.32Å; E297-R300 IonicContact OE2-NE 2.72Å; E297-R300 IonicContact OE2-NH1 3.01Å; E297-R300 PolarHBondContact OE2-NH1 3.08Å; E297-R300 IonicContact OE2-NH2 2.74Å; E297-M301 PolarHBondContact O-N 3.14Å; E297-F334 PolarHBondContact N-O 2.64Å; E297-F334 VanDerWaalsContact N-O 3.07Å
298	A	91.4	Very high	91.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.2	-43.4	-175.6	0	0	0	0	0	113.5	R300 M301 L302 L333 F334	A298-R300 VanDerWaalsContact C-N 3.28Å; A298-R300 PolarHBondContact O-N 3.38Å; A298-M301 HydrophobicContact CB-CE 4.34Å; A298-M301 PolarHBondContact O-N 2.82Å; A298-L302 WeakPolarHBondContact O-CG 3.36Å; A298-L302 PolarHBondContact O-N 2.91Å; A298-L302 VanDerWaalsContact O-N 3.15Å; A298-L333 HydrophobicContact CB-CD1 4.24Å; A298-L333 HydrophobicContact CB-CD2 3.82Å; A298-L333 HydrophobicContact CB-CG 3.86Å; A298-F334 PolarHBondContact N-O 2.97Å; A298-F334 VanDerWaalsContact N-O 3.14Å
299	D	86.5	Confident	91.7	Very high	10 Å²	10	27.6 Å²	27.6	5%	0.053	14%	0.144	C	C	.	.	H	α-helix	trans	-49	-52.4	170.6	45.8	6.7	0	0	0	111.5	M301 L302 D303 S335 A336 T337 V342	D299-M301 VanDerWaalsContact C-N 3.32Å; D299-M301 PolarHBondContact O-N 3.49Å; D299-L302 WeakPolarHBondContact O-CA 3.3Å; D299-L302 WeakPolarHBondContact O-CB 3.27Å; D299-L302 PolarHBondContact O-N 3.08Å; D299-D303 VanDerWaalsContact O-CG 3.31Å; D299-D303 PolarHBondContact O-N 3.33Å; D299-S335 WeakPolarHBondContact CB-OG 3.27Å; D299-S335 PolarHBondContact N-OG 3.39Å; D299-S335 PolarHBondContact OD1-OG 3.18Å; D299-S335 PolarHBondContact OD2-OG 3.1Å; D299-S335 VanDerWaalsContact OD2-OG 3.11Å; D299-A336 PolarHBondContact OD2-N 3.37Å; D299-A336 VanDerWaalsContact OD2-N 3.08Å; D299-T337 WeakPolarHBondContact CB-OG1 3.19Å; D299-T337 PolarHBondContact OD2-N 3.25Å; D299-T337 PolarHBondContact OD2-OG1 2.87Å; D299-V342 HydrophobicContact CB-CG2 4Å
300	R	85.9	Confident	91.7	Very high	14 Å²	14	26.9 Å²	26.9	5%	0.053	14%	0.141	C	C	.	.	H	α-helix	trans	-69.6	-28.4	-177.6	-171.3	155.6	158.6	-125.2	-33.8	114	P223 T224 E297 A298 L302 M304 R497	P223-R300 HydrophobicContact CB-CB 4.41Å; P223-R300 HydrophobicContact CB-CG 4.09Å; P223-R300 HydrophobicContact CG-CB 4.26Å; P223-R300 HydrophobicContact CG-CG 4.15Å; T224-R300 PolarHBondContact OG1-NH2 2.8Å; E297-R300 HydrophobicContact CB-CB 4.11Å; E297-R300 PolarHBondContact O-N 3.03Å; E297-R300 IonicContact OE1-NH1 2.98Å; E297-R300 IonicContact OE2-CZ 2.74Å; E297-R300 VanDerWaalsContact OE2-CZ 3.32Å; E297-R300 IonicContact OE2-NE 2.72Å; E297-R300 IonicContact OE2-NH1 3.01Å; E297-R300 PolarHBondContact OE2-NH1 3.08Å; E297-R300 IonicContact OE2-NH2 2.74Å; A298-R300 VanDerWaalsContact C-N 3.28Å; A298-R300 PolarHBondContact O-N 3.38Å; R300-L302 VanDerWaalsContact C-N 3.3Å; R300-M304 HydrophobicContact CG-SD 4.45Å; R300-M304 WeakPolarHBondContact O-CB 3.43Å; R300-M304 VanDerWaalsContact O-CG 3.25Å; R300-M304 WeakPolarHBondContact O-CG 3.48Å; R300-M304 PolarHBondContact O-N 3.37Å; R300-M304 VanDerWaalsContact O-N 3.09Å; R300-R497 VanDerWaalsContact CZ-C 3.49Å; R300-R497 PolarHBondContact NH2-O 3.5Å
301	M	90.1	Very high	91.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.8	-41.1	169.9	-73	-166.7	-75.5	0	0	111.1	L221 P223 P273 L295 E297 A298 D299 M304 G305 F306 I310	L221-M301 HydrophobicContact CB-CE 4.37Å; L221-M301 HydrophobicContact CB-SD 4.05Å; P223-M301 HydrophobicContact CB-CG 3.76Å; P223-M301 HydrophobicContact CG-CG 4.27Å; P273-M301 HydrophobicContact CG-SD 3.91Å; L295-M301 HydrophobicContact CB-CE 3.92Å; L295-M301 HydrophobicContact CD2-CE 4.24Å; E297-M301 PolarHBondContact O-N 3.14Å; A298-M301 HydrophobicContact CB-CE 4.34Å; A298-M301 PolarHBondContact O-N 2.82Å; D299-M301 VanDerWaalsContact C-N 3.32Å; D299-M301 PolarHBondContact O-N 3.49Å; M301-M304 PolarHBondContact O-N 3.11Å; M301-G305 PolarHBondContact O-N 2.83Å; M301-F306 HydrophobicContact CB-CB 4.3Å; M301-F306 HydrophobicContact CB-CD2 4.35Å; M301-F306 HydrophobicContact CG-CD2 4.48Å; M301-F306 VanDerWaalsContact O-CB 3.31Å; M301-F306 WeakPolarHBondContact O-CB 3.47Å; M301-F306 PolarHBondContact O-N 2.76Å; M301-I310 HydrophobicContact CB-CD1 3.99Å; M301-I310 HydrophobicContact CE-CD1 4.23Å; M301-I310 HydrophobicContact SD-CD1 3.92Å
302	L	89.1	Confident	91.8	Very high	24 Å²	24	31 Å²	31	13%	0.126	16%	0.16	C	C	.	.	H	α-helix	trans	-69.4	-41.3	178	-59.5	178.1	0	0	0	111.5	A298 D299 R300 M304 G305 E307 E341 V342 L345	A298-L302 WeakPolarHBondContact O-CG 3.36Å; A298-L302 PolarHBondContact O-N 2.91Å; A298-L302 VanDerWaalsContact O-N 3.15Å; D299-L302 WeakPolarHBondContact O-CA 3.3Å; D299-L302 WeakPolarHBondContact O-CB 3.27Å; D299-L302 PolarHBondContact O-N 3.08Å; R300-L302 VanDerWaalsContact C-N 3.3Å; L302-M304 PolarHBondContact O-N 3.44Å; L302-G305 WeakPolarHBondContact O-CA 3.43Å; L302-G305 PolarHBondContact O-N 3.33Å; L302-E307 HydrophobicContact CD2-CB 3.63Å; L302-E307 HydrophobicContact CD2-CG 3.82Å; L302-E341 HydrophobicContact CD1-CB 3.76Å; L302-V342 HydrophobicContact CD1-CB 4.31Å; L302-V342 HydrophobicContact CD1-CG2 3.59Å; L302-L345 HydrophobicContact CD1-CD2 4.36Å; L302-L345 HydrophobicContact CD2-CD1 4.37Å; L302-L345 HydrophobicContact CD2-CD2 4.23Å; L302-L345 HydrophobicContact CG-CD2 4.49Å
303	D	81.7	Confident	91.8	Very high	85 Å²	85	30.8 Å²	30.8	46%	0.455	16%	0.158	S	C	.	.	H	α-helix	trans	-59.7	-34	174.5	-60	-18.7	0	0	0	112.2	D299 G305	D299-D303 VanDerWaalsContact O-CG 3.31Å; D299-D303 PolarHBondContact O-N 3.33Å; D303-G305 PolarHBondContact O-N 2.64Å
304	M	80.4	Confident	91.7	Very high	73 Å²	73	31.2 Å²	31.2	36%	0.36	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	0.5	175.1	-70.2	-177.5	66.9	0	0	113.5	P223 T224 R300 M301 L302 F306	P223-M304 HydrophobicContact CB-SD 3.7Å; P223-M304 WeakPolarHBondContact O-CE 3.26Å; T224-M304 HydrophobicContact CG2-CE 4.09Å; T224-M304 HydrophobicContact CG2-SD 3.93Å; R300-M304 HydrophobicContact CG-SD 4.45Å; R300-M304 WeakPolarHBondContact O-CB 3.43Å; R300-M304 VanDerWaalsContact O-CG 3.25Å; R300-M304 WeakPolarHBondContact O-CG 3.48Å; R300-M304 PolarHBondContact O-N 3.37Å; R300-M304 VanDerWaalsContact O-N 3.09Å; M301-M304 PolarHBondContact O-N 3.11Å; L302-M304 PolarHBondContact O-N 3.44Å; M304-F306 HydrophobicContact CB-CD2 3.79Å; M304-F306 HydrophobicContact CB-CE2 3.81Å; M304-F306 HydrophobicContact CE-CE2 3.77Å; M304-F306 HydrophobicContact CE-CZ 4.23Å; M304-F306 HydrophobicContact SD-CE2 4.17Å
305	G	85.2	Confident	91.6	Very high	46 Å²	46	36.1 Å²	36.1	47%	0.474	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	24.9	178.9	0	0	0	0	0	114.1	M301 L302 D303 E307 Q309	M301-G305 PolarHBondContact O-N 2.83Å; L302-G305 WeakPolarHBondContact O-CA 3.43Å; L302-G305 PolarHBondContact O-N 3.33Å; D303-G305 PolarHBondContact O-N 2.64Å; G305-E307 VanDerWaalsContact C-N 3.28Å; G305-E307 PolarHBondContact O-N 2.8Å; G305-Q309 PolarHBondContact O-OE1 2.7Å; G305-Q309 VanDerWaalsContact O-OE1 3.13Å
306	F	91.9	Very high	91.4	Very high	33 Å²	33	37.9 Å²	37.9	15%	0.145	20%	0.196	C	C	.	.			trans	-80.3	-0.5	179.7	-72.2	-55	0	0	0	114.9	P223 P273 M301 M304 E308 Q309 I310	P223-F306 WeakPolarHBondContact O-CE2 3.24Å; P273-F306 HydrophobicContact CB-CB 4.16Å; P273-F306 HydrophobicContact CB-CD1 3.99Å; P273-F306 HydrophobicContact CB-CG 4.12Å; P273-F306 HydrophobicContact CG-CB 3.99Å; P273-F306 HydrophobicContact CG-CD1 4.3Å; P273-F306 HydrophobicContact CG-CD2 4.32Å; P273-F306 HydrophobicContact CG-CG 3.97Å; M301-F306 HydrophobicContact CB-CB 4.3Å; M301-F306 HydrophobicContact CB-CD2 4.35Å; M301-F306 HydrophobicContact CG-CD2 4.48Å; M301-F306 VanDerWaalsContact O-CB 3.31Å; M301-F306 WeakPolarHBondContact O-CB 3.47Å; M301-F306 PolarHBondContact O-N 2.76Å; M304-F306 HydrophobicContact CB-CD2 3.79Å; M304-F306 HydrophobicContact CB-CE2 3.81Å; M304-F306 HydrophobicContact CE-CE2 3.77Å; M304-F306 HydrophobicContact CE-CZ 4.23Å; M304-F306 HydrophobicContact SD-CE2 4.17Å; F306-E308 PolarHBondContact O-N 2.8Å; F306-Q309 VanDerWaalsContact CA-OE1 3.24Å; F306-Q309 PolarHBondContact O-N 3.31Å; F306-Q309 VanDerWaalsContact O-N 3.15Å; F306-Q309 PolarHBondContact O-OE1 2.93Å; F306-I310 HydrophobicContact CB-CD1 4.14Å; F306-I310 HydrophobicContact CB-CG1 4.4Å; F306-I310 VanDerWaalsContact O-CG1 3.32Å; F306-I310 WeakPolarHBondContact O-CG1 3.35Å; F306-I310 PolarHBondContact O-N 3.47Å
307	E	92.2	Very high	91.3	Very high	51 Å²	51	43.3 Å²	43.3	24%	0.238	23%	0.231	C	C	.	.	H	α-helix	trans	-53.2	-51.8	-175.4	-168.3	-179.8	170.6	0	0	112.1	L302 G305 Q309 I310 R311	L302-E307 HydrophobicContact CD2-CB 3.63Å; L302-E307 HydrophobicContact CD2-CG 3.82Å; G305-E307 VanDerWaalsContact C-N 3.28Å; G305-E307 PolarHBondContact O-N 2.8Å; E307-Q309 VanDerWaalsContact C-N 3.31Å; E307-Q309 PolarHBondContact O-N 3.09Å; E307-I310 PolarHBondContact O-N 2.97Å; E307-R311 WeakPolarHBondContact O-CG 3.42Å; E307-R311 PolarHBondContact O-N 3.02Å; E307-R311 IonicContact OE1-CZ 2.79Å; E307-R311 IonicContact OE1-NE 2.8Å; E307-R311 PolarHBondContact OE1-NE 3.09Å; E307-R311 IonicContact OE1-NH2 3.73Å; E307-R311 PolarHBondContact OE1-NH2 3.07Å; E307-R311 VanDerWaalsContact OE1-NH2 3.15Å
308	E	93	Very high	91.4	Very high	102 Å²	102	48.7 Å²	48.7	48%	0.477	25%	0.254	S	S	.	.	H	α-helix	trans	-59.5	-41	-179.7	-67.9	-63	150.4	0	0	112	F306 Q312	F306-E308 PolarHBondContact O-N 2.8Å; E308-Q312 WeakPolarHBondContact O-CB 3.4Å; E308-Q312 VanDerWaalsContact O-CG 3.27Å; E308-Q312 WeakPolarHBondContact O-CG 3.32Å; E308-Q312 PolarHBondContact O-N 3.44Å
309	Q	95.8	Very high	91.6	Very high	59 Å²	59	49.2 Å²	49.2	28%	0.276	26%	0.257	S	S	.	.	H	α-helix	trans	-70.3	-39.2	178.5	-63.8	81.3	2.7	0	0	111.5	P273 L277 G305 F306 E307 Q312 I313	P273-Q309 HydrophobicContact CB-CB 4.1Å; L277-Q309 HydrophobicContact CD2-CB 3.95Å; L277-Q309 HydrophobicContact CD2-CG 3.79Å; G305-Q309 PolarHBondContact O-OE1 2.7Å; G305-Q309 VanDerWaalsContact O-OE1 3.13Å; F306-Q309 VanDerWaalsContact CA-OE1 3.24Å; F306-Q309 PolarHBondContact O-N 3.31Å; F306-Q309 VanDerWaalsContact O-N 3.15Å; F306-Q309 PolarHBondContact O-OE1 2.93Å; E307-Q309 VanDerWaalsContact C-N 3.31Å; E307-Q309 PolarHBondContact O-N 3.09Å; Q309-Q312 PolarHBondContact O-N 3.22Å; Q309-I313 WeakPolarHBondContact O-CD1 3.45Å; Q309-I313 WeakPolarHBondContact O-CG1 3.44Å; Q309-I313 PolarHBondContact O-N 3.01Å
310	I	96.7	Very high	91.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-48.5	175.5	-68.2	166.2	0	0	0	109.7	L221 P273 M301 F306 E307 Q312 I313 L314 L345 F349	L221-I310 HydrophobicContact CD1-CG1 4.34Å; L221-I310 HydrophobicContact CD1-CG2 4.49Å; P273-I310 HydrophobicContact CB-CG1 4.05Å; P273-I310 HydrophobicContact CG-CD1 4.29Å; P273-I310 HydrophobicContact CG-CG1 3.83Å; M301-I310 HydrophobicContact CB-CD1 3.99Å; M301-I310 HydrophobicContact CE-CD1 4.23Å; M301-I310 HydrophobicContact SD-CD1 3.92Å; F306-I310 HydrophobicContact CB-CD1 4.14Å; F306-I310 HydrophobicContact CB-CG1 4.4Å; F306-I310 VanDerWaalsContact O-CG1 3.32Å; F306-I310 WeakPolarHBondContact O-CG1 3.35Å; F306-I310 PolarHBondContact O-N 3.47Å; E307-I310 PolarHBondContact O-N 2.97Å; I310-Q312 PolarHBondContact O-N 3.48Å; I310-I313 PolarHBondContact O-N 2.95Å; I310-I313 VanDerWaalsContact O-N 3.14Å; I310-L314 HydrophobicContact CG2-CD1 3.7Å; I310-L314 HydrophobicContact CG2-CG 4.3Å; I310-L314 WeakPolarHBondContact O-CG 3.2Å; I310-L314 PolarHBondContact O-N 3.49Å; I310-L345 HydrophobicContact CG2-CD1 4.18Å; I310-F349 HydrophobicContact CG2-CE2 4.02Å
311	R	96	Very high	92.4	Very high	43 Å²	43	53.3 Å²	53.3	16%	0.162	28%	0.276	C	S	.	.	H	α-helix	trans	-58.1	-47	176	-69.7	-175.5	178.6	-74.5	-0	111.7	E307 I313 L314 E315 D348 F349	E307-R311 WeakPolarHBondContact O-CG 3.42Å; E307-R311 PolarHBondContact O-N 3.02Å; E307-R311 IonicContact OE1-CZ 2.79Å; E307-R311 IonicContact OE1-NE 2.8Å; E307-R311 PolarHBondContact OE1-NE 3.09Å; E307-R311 IonicContact OE1-NH2 3.73Å; E307-R311 PolarHBondContact OE1-NH2 3.07Å; E307-R311 VanDerWaalsContact OE1-NH2 3.15Å; R311-I313 VanDerWaalsContact C-N 3.31Å; R311-I313 PolarHBondContact O-N 3.09Å; R311-L314 PolarHBondContact O-N 3.36Å; R311-E315 IonicContact NH1-OE1 3.85Å; R311-E315 PolarHBondContact NH1-OE1 2.72Å; R311-E315 VanDerWaalsContact O-CB 3.26Å; R311-E315 WeakPolarHBondContact O-CB 3.31Å; R311-E315 WeakPolarHBondContact O-CG 3.21Å; R311-E315 PolarHBondContact O-N 3.34Å; R311-D348 IonicContact CZ-OD2 3.12Å; R311-D348 VanDerWaalsContact CZ-OD2 3.27Å; R311-D348 IonicContact NH1-OD2 2.92Å; R311-D348 PolarHBondContact NH1-OD2 2.81Å; R311-D348 IonicContact NH2-OD2 3.68Å; R311-D348 PolarHBondContact NH2-OD2 3.12Å; R311-F349 HydrophobicContact CG-CE2 4.29Å; R311-F349 HydrophobicContact CG-CZ 4Å
312	Q	96.4	Very high	92.6	Very high	80 Å²	80	53.9 Å²	53.9	37%	0.374	28%	0.28	S	S	.	.	H	α-helix	trans	-58	-40.2	175.2	-75.6	179.9	19.3	0	0	113	L277 E308 Q309 I310 S316 F319	L277-Q312 HydrophobicContact CD1-CB 3.95Å; L277-Q312 HydrophobicContact CD2-CB 4.32Å; L277-Q312 VanDerWaalsContact CD2-OE1 3.27Å; E308-Q312 WeakPolarHBondContact O-CB 3.4Å; E308-Q312 VanDerWaalsContact O-CG 3.27Å; E308-Q312 WeakPolarHBondContact O-CG 3.32Å; E308-Q312 PolarHBondContact O-N 3.44Å; Q309-Q312 PolarHBondContact O-N 3.22Å; I310-Q312 PolarHBondContact O-N 3.48Å; Q312-S316 WeakPolarHBondContact O-CB 3.34Å; Q312-S316 PolarHBondContact O-N 3.12Å; Q312-F319 VanDerWaalsContact O-CD2 3.22Å; Q312-F319 WeakPolarHBondContact O-CD2 3.36Å; Q312-F319 VanDerWaalsContact O-CE2 3.27Å; Q312-F319 WeakPolarHBondContact O-CE2 3.25Å
313	I	97.1	Very high	92.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-66.4	-42.6	178.6	-68.5	160.4	0	0	0	111.4	P273 L276 L277 L280 L287 Q309 I310 R311	P273-I313 HydrophobicContact CB-CD1 4.07Å; P273-I313 WeakPolarHBondContact O-CD1 3.46Å; L276-I313 HydrophobicContact CB-CD1 4.34Å; L276-I313 HydrophobicContact CD2-CD1 4.27Å; L276-I313 HydrophobicContact CD2-CG2 4.18Å; L276-I313 HydrophobicContact CG-CD1 4.47Å; L277-I313 HydrophobicContact CB-CD1 4.21Å; L277-I313 HydrophobicContact CB-CG1 4.05Å; L277-I313 HydrophobicContact CD1-CG1 4.16Å; L280-I313 HydrophobicContact CD1-CB 4.35Å; L280-I313 HydrophobicContact CD1-CG1 3.97Å; L280-I313 HydrophobicContact CD1-CG2 3.9Å; L287-I313 HydrophobicContact CD1-CG2 3.79Å; Q309-I313 WeakPolarHBondContact O-CD1 3.45Å; Q309-I313 WeakPolarHBondContact O-CG1 3.44Å; Q309-I313 PolarHBondContact O-N 3.01Å; I310-I313 PolarHBondContact O-N 2.95Å; I310-I313 VanDerWaalsContact O-N 3.14Å; R311-I313 VanDerWaalsContact C-N 3.31Å; R311-I313 PolarHBondContact O-N 3.09Å
314	L	96.4	Very high	93.3	Very high	11 Å²	11	53.4 Å²	53.4	6%	0.058	28%	0.283	C	S	.	.	H	α-helix	trans	-92.5	-30.4	-168.1	-61.6	-176.7	0	0	0	114.3	L293 I310 R311 M321 F349	L293-L314 HydrophobicContact CD1-CD2 4.13Å; L293-L314 HydrophobicContact CD2-CD1 3.87Å; L293-L314 HydrophobicContact CD2-CD2 3.53Å; L293-L314 HydrophobicContact CD2-CG 4.38Å; L293-L314 HydrophobicContact CG-CD2 4.48Å; I310-L314 HydrophobicContact CG2-CD1 3.7Å; I310-L314 HydrophobicContact CG2-CG 4.3Å; I310-L314 WeakPolarHBondContact O-CG 3.2Å; I310-L314 PolarHBondContact O-N 3.49Å; R311-L314 PolarHBondContact O-N 3.36Å; L314-M321 HydrophobicContact CD2-CE 3.31Å; L314-M321 HydrophobicContact CD2-CG 4.06Å; L314-F349 HydrophobicContact CB-CD1 3.91Å; L314-F349 HydrophobicContact CB-CE1 3.5Å; L314-F349 HydrophobicContact CB-CZ 3.93Å; L314-F349 HydrophobicContact CD1-CB 4.29Å; L314-F349 HydrophobicContact CD1-CD1 3.65Å; L314-F349 HydrophobicContact CD1-CD2 3.63Å; L314-F349 HydrophobicContact CD1-CE1 3.83Å; L314-F349 HydrophobicContact CD1-CE2 3.79Å; L314-F349 HydrophobicContact CD1-CG 3.57Å; L314-F349 HydrophobicContact CD1-CZ 3.9Å; L314-F349 HydrophobicContact CG-CD1 4.44Å; L314-F349 HydrophobicContact CG-CE1 4.3Å; L314-F349 HydrophobicContact CG-CZ 4.48Å
315	E	94.7	Very high	93.6	Very high	105 Å²	105	53.9 Å²	53.9	49%	0.491	29%	0.29	S	S	.	.	H	α-helix	trans	-99.8	-22.9	-175	-59.1	172.4	178.7	0	0	112.3	R311 P317 F349	R311-E315 IonicContact NH1-OE1 3.85Å; R311-E315 PolarHBondContact NH1-OE1 2.72Å; R311-E315 VanDerWaalsContact O-CB 3.26Å; R311-E315 WeakPolarHBondContact O-CB 3.31Å; R311-E315 WeakPolarHBondContact O-CG 3.21Å; R311-E315 PolarHBondContact O-N 3.34Å; E315-P317 VanDerWaalsContact O-CD 3.28Å; E315-P317 WeakPolarHBondContact O-CD 3.06Å; E315-F349 HydrophobicContact CG-CE1 3.68Å; E315-F349 HydrophobicContact CG-CZ 3.95Å; E315-F349 WeakPolarHBondContact OE1-CZ 3.23Å
316	S	93.6	Very high	93.6	Very high	38 Å²	38	53.9 Å²	53.9	27%	0.266	29%	0.29	S	S	.	.			trans	-66.3	122.2	-176.8	-174.8	0	0	0	0	111.4	Q312 K318 F319	Q312-S316 WeakPolarHBondContact O-CB 3.34Å; Q312-S316 PolarHBondContact O-N 3.12Å; S316-K318 PolarHBondContact O-N 3.49Å; S316-K318 VanDerWaalsContact O-N 3.1Å; S316-K318 PolarHBondContact OG-N 2.75Å; S316-F319 PolarHBondContact O-N 3.25Å; S316-F319 VanDerWaalsContact O-N 3.16Å
317	P	92.7	Very high	93.2	Very high	117 Å²	117	54.5 Å²	54.5	76%	0.76	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-59.2	-26.4	175.6	-22.6	32.4	0	0	0	112.7	E315 F319 Q320	E315-P317 VanDerWaalsContact O-CD 3.28Å; E315-P317 WeakPolarHBondContact O-CD 3.06Å; P317-F319 VanDerWaalsContact C-N 3.29Å; P317-F319 PolarHBondContact O-N 3.15Å; P317-Q320 WeakPolarHBondContact O-CG 3.46Å; P317-Q320 PolarHBondContact O-N 2.97Å
318	K	93.1	Very high	93	Very high	132 Å²	132	54 Å²	54	57%	0.574	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-60.6	-37.2	179.8	-176.2	177.5	175.6	179.4	0	112.2	S316	S316-K318 PolarHBondContact O-N 3.49Å; S316-K318 VanDerWaalsContact O-N 3.1Å; S316-K318 PolarHBondContact OG-N 2.75Å
319	F	94.4	Very high	93	Very high	11 Å²	11	49.1 Å²	49.1	5%	0.048	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-89.6	-9.5	-175.2	-52.1	-35.9	0	0	0	113	L277 L280 K281 L287 Q312 S316 P317 M321	L277-F319 HydrophobicContact CD1-CE2 3.56Å; L277-F319 HydrophobicContact CD1-CZ 3.8Å; L280-F319 HydrophobicContact CB-CD1 3.59Å; L280-F319 HydrophobicContact CB-CD2 4.35Å; L280-F319 HydrophobicContact CB-CE1 3.54Å; L280-F319 HydrophobicContact CB-CE2 4.3Å; L280-F319 HydrophobicContact CB-CG 4.01Å; L280-F319 HydrophobicContact CB-CZ 3.91Å; L280-F319 HydrophobicContact CD1-CB 4.39Å; L280-F319 HydrophobicContact CD1-CD1 4.47Å; L280-F319 HydrophobicContact CD1-CD2 4.01Å; L280-F319 HydrophobicContact CD1-CE2 4.42Å; L280-F319 HydrophobicContact CD1-CG 4.03Å; L280-F319 HydrophobicContact CD2-CB 4.28Å; L280-F319 HydrophobicContact CD2-CD1 4.31Å; L280-F319 HydrophobicContact CD2-CG 4.31Å; L280-F319 HydrophobicContact CG-CD1 4.34Å; L280-F319 HydrophobicContact CG-CG 4.36Å; K281-F319 HydrophobicContact CG-CZ 4.09Å; L287-F319 WeakPolarHBondContact CB-O 3.38Å; L287-F319 PolarHBondContact N-O 2.89Å; Q312-F319 VanDerWaalsContact O-CD2 3.22Å; Q312-F319 WeakPolarHBondContact O-CD2 3.36Å; Q312-F319 VanDerWaalsContact O-CE2 3.27Å; Q312-F319 WeakPolarHBondContact O-CE2 3.25Å; S316-F319 PolarHBondContact O-N 3.25Å; S316-F319 VanDerWaalsContact O-N 3.16Å; P317-F319 VanDerWaalsContact C-N 3.29Å; P317-F319 PolarHBondContact O-N 3.15Å; F319-M321 PolarHBondContact O-N 2.69Å
320	Q	93.8	Very high	93.1	Very high	95 Å²	95	46.6 Å²	46.6	44%	0.444	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	26.2	171.1	-58.9	175.8	-14	0	0	114.1	S286 K288 P317 P322	S286-Q320 PolarHBondContact OG-OE1 3.3Å; K288-Q320 WeakPolarHBondContact CA-O 3.24Å; K288-Q320 HydrophobicContact CB-CB 3.98Å; K288-Q320 HydrophobicContact CG-CB 4.37Å; K288-Q320 PolarHBondContact N-O 3.29Å; P317-Q320 WeakPolarHBondContact O-CG 3.46Å; P317-Q320 PolarHBondContact O-N 2.97Å; Q320-P322 WeakPolarHBondContact O-CD 3.12Å
321	M	96.1	Very high	93.1	Very high	15 Å²	15	46.6 Å²	46.6	7%	0.074	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-58.8	125.4	173.7	-177.8	68.4	101.1	0	0	109.4	L287 C290 L293 L314 F319	L287-M321 HydrophobicContact CB-CB 4.18Å; L287-M321 HydrophobicContact CB-CE 4.48Å; L287-M321 HydrophobicContact CB-SD 4.02Å; L287-M321 HydrophobicContact CD1-CB 4.4Å; L287-M321 HydrophobicContact CD1-CE 3.7Å; L287-M321 HydrophobicContact CD1-SD 4.27Å; C290-M321 HydrophobicContact CB-SD 3.75Å; L293-M321 HydrophobicContact CD1-CE 3.9Å; L293-M321 HydrophobicContact CD2-CE 4.24Å; L293-M321 HydrophobicContact CG-CE 4.46Å; L314-M321 HydrophobicContact CD2-CE 3.31Å; L314-M321 HydrophobicContact CD2-CG 4.06Å; F319-M321 PolarHBondContact O-N 2.69Å
322	P	94.9	Very high	93.1	Very high	11 Å²	11	44.7 Å²	44.7	7%	0.071	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-58	134.4	178.6	-25.3	33.8	0	0	0	110.7	L287 K288 C290 Q320 C328 R329	L287-P322 VanDerWaalsContact O-CD 3.28Å; L287-P322 WeakPolarHBondContact O-CD 3.34Å; K288-P322 WeakPolarHBondContact O-CG 3.06Å; C290-P322 WeakPolarHBondContact O-CG 3.3Å; Q320-P322 WeakPolarHBondContact O-CD 3.12Å; P322-C328 HydrophobicContact CB-CB 3.84Å; P322-R329 HydrophobicContact CB-CB 4.48Å; P322-R329 WeakPolarHBondContact O-CD 3.19Å; P322-R329 PolarHBondContact O-NE 2.92Å; P322-R329 PolarHBondContact O-NH1 3.45Å
323	P	93.2	Very high	93.1	Very high	66 Å²	66	40.9 Å²	40.9	43%	0.429	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-65.1	159.3	-174.9	27.4	-35.5	0	0	0	112.3	T325	P323-T325 WeakPolarHBondContact CG-OG1 3.36Å; P323-T325 PolarHBondContact O-N 2.68Å
324	P	90.9	Very high	92.9	Very high	34 Å²	34	40.9 Å²	40.9	22%	0.221	24%	0.238	C	C	.	.	S	Bend	trans	-77.5	53.9	174.4	34.3	-34.3	0	0	0	111.4	F349 R351	P324-F349 WeakPolarHBondContact CB-O 3.28Å; P324-R351 HydrophobicContact CB-CG 4.48Å; P324-R351 WeakPolarHBondContact O-CG 3.22Å
325	T	88	Confident	92.5	Very high	82 Å²	82	40.4 Å²	40.4	50%	0.503	24%	0.235	S	C	.	.	S	Bend	trans	-134.5	144.6	-179.9	55.4	0	0	0	0	110.4	P323 N327 C328	P323-T325 WeakPolarHBondContact CG-OG1 3.36Å; P323-T325 PolarHBondContact O-N 2.68Å; T325-N327 PolarHBondContact O-N 2.99Å; T325-C328 WeakPolarHBondContact O-CB 3.48Å; T325-C328 PolarHBondContact O-N 3.13Å; T325-C328 PolarHBondContact O-SG 3.31Å
326	G	83.8	Confident	91.8	Very high	47 Å²	47	37.3 Å²	37.3	49%	0.485	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	-131.3	-177.3	0	0	0	0	0	112.4	R351	G326-R351 WeakPolarHBondContact O-CD 3.28Å; G326-R351 PolarHBondContact O-NH1 3Å; G326-R351 VanDerWaalsContact O-NH1 3.1Å
327	N	83.7	Confident	90.8	Very high	45 Å²	45	36.6 Å²	36.6	24%	0.241	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	27.8	-172.9	-62.9	8.7	0	0	0	111.1	E142 T167 T325	E142-N327 WeakPolarHBondContact CB-ND2 3.13Å; E142-N327 PolarHBondContact OE2-ND2 3.25Å; E142-N327 PolarHBondContact OE2-OD1 2.99Å; T167-N327 WeakPolarHBondContact CG2-O 3.48Å; T167-N327 PolarHBondContact OG1-O 3.38Å; T325-N327 PolarHBondContact O-N 2.99Å
328	C	88.3	Confident	90	Very high	40 Å²	40	32.6 Å²	32.6	27%	0.27	19%	0.192	S	C	.	.	S	Bend	trans	-74.7	-35.1	-174.4	-64.7	0	0	0	0	113.2	R291 P322 T325	R291-C328 WeakPolarHBondContact CD-O 3.32Å; R291-C328 PolarHBondContact NH1-O 2.94Å; R291-C328 VanDerWaalsContact NH1-O 3.13Å; P322-C328 HydrophobicContact CB-CB 3.84Å; T325-C328 WeakPolarHBondContact O-CB 3.48Å; T325-C328 PolarHBondContact O-N 3.13Å; T325-C328 PolarHBondContact O-SG 3.31Å
329	R	94.4	Very high	89.1	Confident	1 Å²	1	27.2 Å²	27.2	0%	0.004	17%	0.17	C	C	.	.			trans	-158	154.5	176	68.6	172.9	-167.8	-135.7	6.1	110.9	R291 P322 T331 F349 R351	R291-R329 CarbonylContact O-C 3.54Å; R291-R329 WeakPolarHBondContact O-CA 3.46Å; P322-R329 HydrophobicContact CB-CB 4.48Å; P322-R329 WeakPolarHBondContact O-CD 3.19Å; P322-R329 PolarHBondContact O-NE 2.92Å; P322-R329 PolarHBondContact O-NH1 3.45Å; R329-T331 PolarHBondContact NE-OG1 3.09Å; R329-F349 PolarHBondContact NH2-O 3.33Å; R329-F349 VanDerWaalsContact NH2-O 3.13Å; R329-R351 PolarHBondContact O-NE 3.48Å
330	Q	96.2	Very high	88.3	Confident	5 Å²	5	34.4 Å²	34.4	2%	0.023	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.5	163.1	-177.4	-178.9	44.4	0	0	109	L138 F170 D171 R291 S292 L293	L138-Q330 HydrophobicContact CD2-CG 4.39Å; L138-Q330 PolarHBondContact O-NE2 3.48Å; F170-Q330 WeakPolarHBondContact O-CG 3.36Å; F170-Q330 PolarHBondContact O-NE2 2.83Å; D171-Q330 WeakPolarHBondContact OD1-CA 3.41Å; R291-Q330 PolarHBondContact O-N 3.36Å; S292-Q330 WeakPolarHBondContact CA-O 3.16Å; L293-Q330 PolarHBondContact N-O 3.09Å
331	T	97.2	Very high	87.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.6	173.4	-52.9	0	0	0	0	110.2	D171 L172 L293 R329 F349 L350	D171-T331 VanDerWaalsContact CA-O 3.27Å; D171-T331 WeakPolarHBondContact CA-O 3.3Å; D171-T331 WeakPolarHBondContact CB-O 3.48Å; D171-T331 PolarHBondContact OD1-N 2.88Å; L172-T331 PolarHBondContact N-O 3.13Å; L172-T331 VanDerWaalsContact N-O 3.1Å; L293-T331 HydrophobicContact CB-CG2 4.38Å; L293-T331 HydrophobicContact CD2-CG2 4.04Å; L293-T331 HydrophobicContact CG-CG2 4.2Å; L293-T331 CarbonylContact O-C 3.58Å; L293-T331 VanDerWaalsContact O-CA 3.27Å; L293-T331 WeakPolarHBondContact O-CA 3.39Å; R329-T331 PolarHBondContact NE-OG1 3.09Å; T331-F349 PolarHBondContact OG1-O 3.05Å; T331-L350 HydrophobicContact CG2-CD2 3.82Å; T331-L350 HydrophobicContact CG2-CG 4.04Å; T331-L350 WeakPolarHBondContact O-CD2 3.33Å
332	A	96.6	Very high	87.3	Confident	4 Å²	4	33 Å²	33	3%	0.033	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127.7	169.8	0	0	0	0	0	110.8	L138 L172 L293 I294 L295 F334	L138-A332 HydrophobicContact CD2-CB 4.14Å; L172-A332 HydrophobicContact CB-CB 4.35Å; L172-A332 CarbonylContact O-C 3.51Å; L172-A332 VanDerWaalsContact O-CA 3.27Å; L172-A332 WeakPolarHBondContact O-CA 3.48Å; L293-A332 PolarHBondContact O-N 3.04Å; I294-A332 CarbonylContact C-O 3.53Å; I294-A332 VanDerWaalsContact CA-O 3.29Å; I294-A332 WeakPolarHBondContact CA-O 3.02Å; I294-A332 HydrophobicContact CG1-CB 4.35Å; L295-A332 PolarHBondContact N-O 3.32Å; A332-F334 HydrophobicContact CB-CD2 4.39Å; A332-F334 HydrophobicContact CB-CE2 3.83Å
333	L	95.5	Very high	86.9	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119.6	178.5	-172.9	158.6	0	0	0	109.4	L172 M173 A174 L295 A298 Y338 V342 L345 A346 L350	L172-L333 PolarHBondContact O-N 2.87Å; M173-L333 CarbonylContact C-O 3.54Å; M173-L333 WeakPolarHBondContact CA-O 3.27Å; M173-L333 HydrophobicContact CG-CD2 4.29Å; A174-L333 PolarHBondContact N-O 3.17Å; L295-L333 HydrophobicContact CB-CG 4.27Å; L295-L333 HydrophobicContact CD1-CD1 4.15Å; L295-L333 WeakPolarHBondContact O-CA 3.44Å; A298-L333 HydrophobicContact CB-CD1 4.24Å; A298-L333 HydrophobicContact CB-CD2 3.82Å; A298-L333 HydrophobicContact CB-CG 3.86Å; L333-Y338 HydrophobicContact CD2-CE1 4.4Å; L333-V342 HydrophobicContact CD1-CG1 4.43Å; L333-V342 HydrophobicContact CD2-CG1 3.92Å; L333-L345 HydrophobicContact CD1-CD2 4.48Å; L333-A346 HydrophobicContact CD1-CB 3.94Å; L333-L350 HydrophobicContact CB-CD1 4.13Å; L333-L350 HydrophobicContact CB-CD2 4.41Å; L333-L350 HydrophobicContact CD1-CD1 4.28Å
334	F	93.4	Very high	86.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.8	176.3	-72.6	-98.3	0	0	0	110	V130 A134 L172 A174 K182 Y186 I294 L295 E297 A298 A332	V130-F334 HydrophobicContact CG2-CE1 4.35Å; A134-F334 HydrophobicContact CB-CZ 4.41Å; L172-F334 HydrophobicContact CD2-CE2 4.5Å; L172-F334 HydrophobicContact CD2-CZ 3.94Å; A174-F334 HydrophobicContact CB-CD1 3.6Å; A174-F334 HydrophobicContact CB-CE1 3.48Å; A174-F334 VanDerWaalsContact CB-CE1 3.48Å; A174-F334 HydrophobicContact CB-CG 4.3Å; A174-F334 HydrophobicContact CB-CZ 4.07Å; A174-F334 WeakPolarHBondContact O-CA 3.18Å; K182-F334 HydrophobicContact CB-CD1 4.07Å; K182-F334 HydrophobicContact CB-CE1 4.49Å; K182-F334 HydrophobicContact CD-CB 4.21Å; K182-F334 HydrophobicContact CD-CD1 3.94Å; K182-F334 HydrophobicContact CG-CD1 3.89Å; K182-F334 HydrophobicContact CG-CE1 4.46Å; Y186-F334 AromaticContact CD1-CD2 3.71Å; Y186-F334 HydrophobicContact CD1-CD2 3.71Å; Y186-F334 HydrophobicContact CD1-CE1 4.4Å; Y186-F334 AromaticContact CD1-CE2 3.56Å; Y186-F334 HydrophobicContact CD1-CE2 3.56Å; Y186-F334 HydrophobicContact CD1-CG 4.22Å; Y186-F334 AromaticContact CD1-CZ 3.92Å; Y186-F334 HydrophobicContact CD1-CZ 3.92Å; Y186-F334 HydrophobicContact CE1-CD2 4.38Å; Y186-F334 HydrophobicContact CG-CD2 4.49Å; Y186-F334 HydrophobicContact CG-CE2 4.03Å; Y186-F334 HydrophobicContact CG-CZ 4.45Å; I294-F334 HydrophobicContact CG2-CD2 4.4Å; L295-F334 PolarHBondContact O-N 3.24Å; E297-F334 PolarHBondContact N-O 2.64Å; E297-F334 VanDerWaalsContact N-O 3.07Å; A298-F334 PolarHBondContact N-O 2.97Å; A298-F334 VanDerWaalsContact N-O 3.14Å; A332-F334 HydrophobicContact CB-CD2 4.39Å; A332-F334 HydrophobicContact CB-CE2 3.83Å
335	S	88.3	Confident	86.5	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	149.8	-178.1	-161.6	0	0	0	0	110.4	A174 T175 A176 D299 T337	A174-S335 PolarHBondContact O-N 3.39Å; A174-S335 VanDerWaalsContact O-N 3.14Å; T175-S335 WeakPolarHBondContact CA-O 3.18Å; A176-S335 PolarHBondContact N-O 3.22Å; A176-S335 VanDerWaalsContact N-O 3.12Å; D299-S335 WeakPolarHBondContact CB-OG 3.27Å; D299-S335 PolarHBondContact N-OG 3.39Å; D299-S335 PolarHBondContact OD1-OG 3.18Å; D299-S335 PolarHBondContact OD2-OG 3.1Å; D299-S335 VanDerWaalsContact OD2-OG 3.11Å; S335-T337 VanDerWaalsContact CB-O 3.24Å; S335-T337 WeakPolarHBondContact CB-O 3.34Å; S335-T337 PolarHBondContact OG-N 3.02Å; S335-T337 PolarHBondContact OG-O 3Å
336	A	79.7	Confident	86.6	Confident	40 Å²	40	28.4 Å²	28.4	33%	0.331	16%	0.158	S	C	.	.	S	Bend	trans	-79.9	-30.8	169.8	0	0	0	0	0	110.5	D299	D299-A336 PolarHBondContact OD2-N 3.37Å; D299-A336 VanDerWaalsContact OD2-N 3.08Å
337	T	71.9	Confident	86.8	Confident	24 Å²	24	32.9 Å²	32.9	15%	0.147	16%	0.164	C	C	.	.			trans	-128.6	163	-176.2	64.1	0	0	0	0	112.7	D299 S335 P339 I392	D299-T337 WeakPolarHBondContact CB-OG1 3.19Å; D299-T337 PolarHBondContact OD2-N 3.25Å; D299-T337 PolarHBondContact OD2-OG1 2.87Å; S335-T337 VanDerWaalsContact CB-O 3.24Å; S335-T337 WeakPolarHBondContact CB-O 3.34Å; S335-T337 PolarHBondContact OG-N 3.02Å; S335-T337 PolarHBondContact OG-O 3Å; T337-P339 WeakPolarHBondContact OG1-CD 3.46Å; T337-I392 HydrophobicContact CG2-CD1 3.22Å; T337-I392 HydrophobicContact CG2-CG1 3.44Å; T337-I392 VanDerWaalsContact CG2-CG1 3.44Å
338	Y	77.4	Confident	87.2	Confident	33 Å²	33	33.7 Å²	33.7	13%	0.129	17%	0.168	C	C	.	.			trans	-125	67.5	177.7	-74.9	-86.6	0	0	0	112	M173 A174 T175 L333 V342 P372	M173-Y338 HydrophobicContact CE-CD1 4.17Å; M173-Y338 HydrophobicContact CE-CE1 3.8Å; M173-Y338 HydrophobicContact CG-CE1 3.45Å; M173-Y338 VanDerWaalsContact CG-CE1 3.45Å; M173-Y338 HydrophobicContact SD-CD1 4.08Å; M173-Y338 HydrophobicContact SD-CE1 3.48Å; M173-Y338 WeakPolarHBondContact SD-CE1 3.44Å; A174-Y338 PolarHBondContact O-OH 3.35Å; A174-Y338 VanDerWaalsContact O-OH 3.08Å; T175-Y338 HydrophobicContact CG2-CD2 3.68Å; T175-Y338 HydrophobicContact CG2-CE2 2.96Å; T175-Y338 VanDerWaalsContact CG2-CZ 3.47Å; T175-Y338 PolarHBondContact N-OH 2.99Å; L333-Y338 HydrophobicContact CD2-CE1 4.4Å; Y338-V342 HydrophobicContact CD1-CG1 4Å; Y338-V342 HydrophobicContact CE1-CG1 4.13Å; Y338-P372 HydrophobicContact CD1-CB 4.35Å; Y338-P372 HydrophobicContact CD1-CG 4.41Å; Y338-P372 HydrophobicContact CD2-CG 4.05Å; Y338-P372 HydrophobicContact CE2-CG 4.4Å; Y338-P372 HydrophobicContact CG-CB 4.19Å; Y338-P372 HydrophobicContact CG-CG 4.09Å
339	P	73.2	Confident	87.4	Confident	18 Å²	18	32 Å²	32	12%	0.117	16%	0.156	C	C	.	.			trans	-65.3	166.8	168.8	32.3	-37.2	0	0	0	111.2	T337 E341 V342 T343 R388	T337-P339 WeakPolarHBondContact OG1-CD 3.46Å; P339-E341 WeakPolarHBondContact CB-OE2 3.17Å; P339-E341 PolarHBondContact O-N 2.86Å; P339-V342 HydrophobicContact CG-CB 4.03Å; P339-V342 HydrophobicContact CG-CG2 3.62Å; P339-V342 PolarHBondContact O-N 3.01Å; P339-T343 PolarHBondContact O-N 2.74Å; P339-T343 PolarHBondContact O-OG1 2.99Å; P339-T343 VanDerWaalsContact O-OG1 3.09Å; P339-R388 VanDerWaalsContact CA-NH1 3.31Å
340	R	78.6	Confident	87.3	Confident	162 Å²	162	32.2 Å²	32.2	61%	0.611	16%	0.157	S	C	*	.	H	α-helix	trans	-58.7	-37.4	-177.2	177.2	-176.7	173.2	-169.7	-3.8	109.9	T343 L344	R340-T343 CarbonylContact O-C 3.58Å; R340-T343 WeakPolarHBondContact O-CB 3.43Å; R340-T343 PolarHBondContact O-N 3.22Å; R340-L344 HydrophobicContact CG-CD1 4.05Å; R340-L344 HydrophobicContact CG-CG 4.31Å; R340-L344 VanDerWaalsContact O-CG 3.29Å; R340-L344 WeakPolarHBondContact O-CG 3.37Å; R340-L344 PolarHBondContact O-N 3.17Å
341	E	82.6	Confident	86.9	Confident	81 Å²	81	32.3 Å²	32.3	38%	0.379	16%	0.157	S	C	.	.	H	α-helix	trans	-63.7	-45.9	-179	-61	66.2	-146.3	0	0	110.4	L302 P339 T343 L344 L345	L302-E341 HydrophobicContact CD1-CB 3.76Å; P339-E341 WeakPolarHBondContact CB-OE2 3.17Å; P339-E341 PolarHBondContact O-N 2.86Å; E341-T343 VanDerWaalsContact C-N 3.32Å; E341-T343 PolarHBondContact O-N 3.42Å; E341-L344 PolarHBondContact O-N 3.35Å; E341-L345 WeakPolarHBondContact O-CB 3.18Å; E341-L345 PolarHBondContact O-N 3.37Å
342	V	86.1	Confident	86.2	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.9	-39.6	172	171.7	0	0	0	0	111	D299 L302 L333 Y338 P339 L344 L345 A346	D299-V342 HydrophobicContact CB-CG2 4Å; L302-V342 HydrophobicContact CD1-CB 4.31Å; L302-V342 HydrophobicContact CD1-CG2 3.59Å; L333-V342 HydrophobicContact CD1-CG1 4.43Å; L333-V342 HydrophobicContact CD2-CG1 3.92Å; Y338-V342 HydrophobicContact CD1-CG1 4Å; Y338-V342 HydrophobicContact CE1-CG1 4.13Å; P339-V342 HydrophobicContact CG-CB 4.03Å; P339-V342 HydrophobicContact CG-CG2 3.62Å; P339-V342 PolarHBondContact O-N 3.01Å; V342-L344 PolarHBondContact O-N 3.09Å; V342-L345 PolarHBondContact O-N 2.74Å; V342-A346 WeakPolarHBondContact O-CB 3.05Å; V342-A346 PolarHBondContact O-N 3Å
343	T	85.2	Confident	85.5	Confident	33 Å²	33	37.4 Å²	37.4	20%	0.202	20%	0.195	C	C	.	.	H	α-helix	trans	-66	-37.8	178.3	-54.1	0	0	0	0	112	P339 R340 E341 K347 A377	P339-T343 PolarHBondContact O-N 2.74Å; P339-T343 PolarHBondContact O-OG1 2.99Å; P339-T343 VanDerWaalsContact O-OG1 3.09Å; R340-T343 CarbonylContact O-C 3.58Å; R340-T343 WeakPolarHBondContact O-CB 3.43Å; R340-T343 PolarHBondContact O-N 3.22Å; E341-T343 VanDerWaalsContact C-N 3.32Å; E341-T343 PolarHBondContact O-N 3.42Å; T343-K347 WeakPolarHBondContact O-CB 3.4Å; T343-K347 PolarHBondContact O-N 3.48Å; T343-A377 HydrophobicContact CG2-CB 4.3Å
344	L	87.1	Confident	85.2	Confident	63 Å²	63	39.7 Å²	39.7	33%	0.33	21%	0.207	S	C	.	.	H	α-helix	trans	-68.4	-46.9	174.4	-70.8	172.2	0	0	0	110.8	R340 E341 V342 A346 K347 D348	R340-L344 HydrophobicContact CG-CD1 4.05Å; R340-L344 HydrophobicContact CG-CG 4.31Å; R340-L344 VanDerWaalsContact O-CG 3.29Å; R340-L344 WeakPolarHBondContact O-CG 3.37Å; R340-L344 PolarHBondContact O-N 3.17Å; E341-L344 PolarHBondContact O-N 3.35Å; V342-L344 PolarHBondContact O-N 3.09Å; L344-A346 PolarHBondContact O-N 3.39Å; L344-K347 WeakPolarHBondContact O-CB 3.19Å; L344-K347 PolarHBondContact O-N 3Å; L344-K347 VanDerWaalsContact O-N 3.14Å; L344-D348 VanDerWaalsContact O-CG 3.23Å; L344-D348 PolarHBondContact O-N 3.46Å
345	L	89.6	Confident	85.1	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-55.2	-43.9	174.2	-168.1	78.8	0	0	0	111.2	L295 L302 I310 L333 E341 V342 D348 F349	L295-L345 HydrophobicContact CD1-CD2 4.13Å; L302-L345 HydrophobicContact CD1-CD2 4.36Å; L302-L345 HydrophobicContact CD2-CD1 4.37Å; L302-L345 HydrophobicContact CD2-CD2 4.23Å; L302-L345 HydrophobicContact CG-CD2 4.49Å; I310-L345 HydrophobicContact CG2-CD1 4.18Å; L333-L345 HydrophobicContact CD1-CD2 4.48Å; E341-L345 WeakPolarHBondContact O-CB 3.18Å; E341-L345 PolarHBondContact O-N 3.37Å; V342-L345 PolarHBondContact O-N 2.74Å; L345-D348 PolarHBondContact O-N 3.09Å; L345-F349 HydrophobicContact CD1-CD2 3.76Å; L345-F349 HydrophobicContact CD1-CE2 3.52Å; L345-F349 HydrophobicContact CG-CD2 3.95Å; L345-F349 HydrophobicContact CG-CE2 4.24Å; L345-F349 WeakPolarHBondContact O-CD2 3.37Å; L345-F349 PolarHBondContact O-N 3.31Å
346	A	89.8	Confident	85.1	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-53.1	176.2	0	0	0	0	0	110.5	M173 L333 V342 L344 D348 F349 L350 W374	M173-A346 HydrophobicContact SD-CB 3.88Å; L333-A346 HydrophobicContact CD1-CB 3.94Å; V342-A346 WeakPolarHBondContact O-CB 3.05Å; V342-A346 PolarHBondContact O-N 3Å; L344-A346 PolarHBondContact O-N 3.39Å; A346-D348 PolarHBondContact O-N 3.29Å; A346-F349 PolarHBondContact O-N 3.45Å; A346-F349 VanDerWaalsContact O-N 3.14Å; A346-L350 VanDerWaalsContact CA-CD1 3.47Å; A346-L350 HydrophobicContact CB-CD1 3.51Å; A346-L350 WeakPolarHBondContact O-CD1 3.17Å; A346-L350 PolarHBondContact O-N 3.45Å; A346-W374 HydrophobicContact CB-CZ3 4.02Å; A346-W374 VanDerWaalsContact O-CH2 3.31Å; A346-W374 WeakPolarHBondContact O-CH2 3.37Å
347	K	88.4	Confident	85.6	Confident	140 Å²	140	37.8 Å²	37.8	61%	0.609	19%	0.191	S	C	*	.	H	α-helix	trans	-54.4	-36.8	179.8	-173.6	-175.6	175.2	-170.6	0	112.9	T343 L344	T343-K347 WeakPolarHBondContact O-CB 3.4Å; T343-K347 PolarHBondContact O-N 3.48Å; L344-K347 WeakPolarHBondContact O-CB 3.19Å; L344-K347 PolarHBondContact O-N 3Å; L344-K347 VanDerWaalsContact O-N 3.14Å
348	D	90.6	Very high	86.4	Confident	63 Å²	63	36.7 Å²	36.7	34%	0.337	18%	0.184	S	C	.	.	H	α-helix	trans	-79.9	-29.2	-177.1	-62.4	-19.5	0	0	0	112.7	R311 L344 L345 A346	R311-D348 IonicContact CZ-OD2 3.12Å; R311-D348 VanDerWaalsContact CZ-OD2 3.27Å; R311-D348 IonicContact NH1-OD2 2.92Å; R311-D348 PolarHBondContact NH1-OD2 2.81Å; R311-D348 IonicContact NH2-OD2 3.68Å; R311-D348 PolarHBondContact NH2-OD2 3.12Å; L344-D348 VanDerWaalsContact O-CG 3.23Å; L344-D348 PolarHBondContact O-N 3.46Å; L345-D348 PolarHBondContact O-N 3.09Å; A346-D348 PolarHBondContact O-N 3.29Å
349	F	93.2	Very high	86.7	Confident	5 Å²	5	35.3 Å²	35.3	2%	0.022	18%	0.179	C	C	.	.	H	α-helix	trans	-117.2	-9.3	-169.4	-62.4	-47.7	0	0	0	117.1	I310 R311 L314 E315 P324 R329 T331 L345 A346	I310-F349 HydrophobicContact CG2-CE2 4.02Å; R311-F349 HydrophobicContact CG-CE2 4.29Å; R311-F349 HydrophobicContact CG-CZ 4Å; L314-F349 HydrophobicContact CB-CD1 3.91Å; L314-F349 HydrophobicContact CB-CE1 3.5Å; L314-F349 HydrophobicContact CB-CZ 3.93Å; L314-F349 HydrophobicContact CD1-CB 4.29Å; L314-F349 HydrophobicContact CD1-CD1 3.65Å; L314-F349 HydrophobicContact CD1-CD2 3.63Å; L314-F349 HydrophobicContact CD1-CE1 3.83Å; L314-F349 HydrophobicContact CD1-CE2 3.79Å; L314-F349 HydrophobicContact CD1-CG 3.57Å; L314-F349 HydrophobicContact CD1-CZ 3.9Å; L314-F349 HydrophobicContact CG-CD1 4.44Å; L314-F349 HydrophobicContact CG-CE1 4.3Å; L314-F349 HydrophobicContact CG-CZ 4.48Å; E315-F349 HydrophobicContact CG-CE1 3.68Å; E315-F349 HydrophobicContact CG-CZ 3.95Å; E315-F349 WeakPolarHBondContact OE1-CZ 3.23Å; P324-F349 WeakPolarHBondContact CB-O 3.28Å; R329-F349 PolarHBondContact NH2-O 3.33Å; R329-F349 VanDerWaalsContact NH2-O 3.13Å; T331-F349 PolarHBondContact OG1-O 3.05Å; L345-F349 HydrophobicContact CD1-CD2 3.76Å; L345-F349 HydrophobicContact CD1-CE2 3.52Å; L345-F349 HydrophobicContact CG-CD2 3.95Å; L345-F349 HydrophobicContact CG-CE2 4.24Å; L345-F349 WeakPolarHBondContact O-CD2 3.37Å; L345-F349 PolarHBondContact O-N 3.31Å; A346-F349 PolarHBondContact O-N 3.45Å; A346-F349 VanDerWaalsContact O-N 3.14Å
350	L	91.6	Very high	86.8	Confident	5 Å²	5	36.2 Å²	36.2	3%	0.026	18%	0.183	C	C	.	.	S	Bend	trans	-105.4	153.7	170.9	-55.1	131	0	0	0	111	D171 T331 L333 A346 G352 C355 W374	D171-L350 HydrophobicContact CB-CB 4.08Å; D171-L350 HydrophobicContact CB-CD2 3.7Å; D171-L350 WeakPolarHBondContact OD2-CA 3.01Å; T331-L350 HydrophobicContact CG2-CD2 3.82Å; T331-L350 HydrophobicContact CG2-CG 4.04Å; T331-L350 WeakPolarHBondContact O-CD2 3.33Å; L333-L350 HydrophobicContact CB-CD1 4.13Å; L333-L350 HydrophobicContact CB-CD2 4.41Å; L333-L350 HydrophobicContact CD1-CD1 4.28Å; A346-L350 VanDerWaalsContact CA-CD1 3.47Å; A346-L350 HydrophobicContact CB-CD1 3.51Å; A346-L350 WeakPolarHBondContact O-CD1 3.17Å; A346-L350 PolarHBondContact O-N 3.45Å; L350-G352 PolarHBondContact O-N 2.67Å; L350-C355 HydrophobicContact CB-CB 4.46Å; L350-W374 HydrophobicContact CB-CH2 3.56Å; L350-W374 HydrophobicContact CB-CZ2 4.47Å; L350-W374 HydrophobicContact CB-CZ3 3.86Å; L350-W374 HydrophobicContact CD1-CH2 4.01Å; L350-W374 HydrophobicContact CD1-CZ3 3.57Å; L350-W374 HydrophobicContact CG-CH2 4.41Å; L350-W374 HydrophobicContact CG-CZ3 4.32Å
351	R	89.9	Confident	86.1	Confident	6 Å²	6	29.7 Å²	29.7	2%	0.023	16%	0.162	C	C	.	.			trans	-72.6	87.3	179.8	-68.7	177.5	-65.9	167	0.5	111	G168 K169 F170 D171 P324 G326 R329 N354 C355	G168-R351 PolarHBondContact O-NH1 3.01Å; G168-R351 PolarHBondContact O-NH2 3.31Å; K169-R351 PolarHBondContact O-NH1 3.35Å; K169-R351 PolarHBondContact O-NH2 3.42Å; F170-R351 VanDerWaalsContact C-NH2 3.29Å; D171-R351 IonicContact OD1-CZ 3.63Å; D171-R351 VanDerWaalsContact OD1-CZ 3.25Å; D171-R351 IonicContact OD1-NE 3.92Å; D171-R351 PolarHBondContact OD1-NE 3.25Å; D171-R351 IonicContact OD1-NH2 3.95Å; D171-R351 PolarHBondContact OD1-NH2 3.29Å; D171-R351 PolarHBondContact OD2-N 3.33Å; D171-R351 IonicContact OD2-NE 3.32Å; P324-R351 HydrophobicContact CB-CG 4.48Å; P324-R351 WeakPolarHBondContact O-CG 3.22Å; G326-R351 WeakPolarHBondContact O-CD 3.28Å; G326-R351 PolarHBondContact O-NH1 3Å; G326-R351 VanDerWaalsContact O-NH1 3.1Å; R329-R351 PolarHBondContact O-NE 3.48Å; R351-N354 HydrophobicContact CB-CB 4.14Å; R351-N354 CarbonylContact O-C 3.55Å; R351-N354 VanDerWaalsContact O-C 3.23Å; R351-N354 WeakPolarHBondContact O-CA 3.39Å; R351-N354 PolarHBondContact O-N 3.38Å; R351-C355 PolarHBondContact O-N 2.6Å
352	G	81	Confident	84.8	Confident	23 Å²	23	28.5 Å²	28.5	24%	0.237	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-6.7	-84.5	168.5	0	0	0	0	0	117	L350 N354 C355 W374	L350-G352 PolarHBondContact O-N 2.67Å; G352-N354 PolarHBondContact O-N 3.24Å; G352-C355 PolarHBondContact O-N 3.02Å; G352-W374 VanDerWaalsContact CA-CZ2 3.46Å; G352-W374 VanDerWaalsContact O-CD1 3.26Å; G352-W374 PolarHBondContact O-NE1 3.29Å
353	P	83.4	Confident	83.1	Confident	89 Å²	89	31.1 Å²	31.1	58%	0.578	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-66.9	-19.2	-175.7	27.3	-35.2	0	0	0	114.5	P92	P92-P353 VanDerWaalsContact CD-O 3.27Å; P92-P353 WeakPolarHBondContact CD-O 3.27Å; P92-P353 VanDerWaalsContact CG-O 3.26Å; P92-P353 WeakPolarHBondContact CG-O 3.25Å
354	N	88.2	Confident	81.3	Confident	48 Å²	48	37 Å²	37	26%	0.257	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-111.9	24.7	-175.6	-65.9	-9.6	0	0	0	112.4	F170 D171 R351 G352	F170-N354 CarbonylContact C-O 3.54Å; F170-N354 VanDerWaalsContact CA-O 3.25Å; F170-N354 WeakPolarHBondContact CA-O 3.33Å; F170-N354 HydrophobicContact CD1-CB 4.3Å; D171-N354 PolarHBondContact N-O 3.49Å; R351-N354 HydrophobicContact CB-CB 4.14Å; R351-N354 CarbonylContact O-C 3.55Å; R351-N354 VanDerWaalsContact O-C 3.23Å; R351-N354 WeakPolarHBondContact O-CA 3.39Å; R351-N354 PolarHBondContact O-N 3.38Å; G352-N354 PolarHBondContact O-N 3.24Å
355	C	90.4	Very high	79.3	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	133.4	178.1	-172.3	0	0	0	0	111.6	P92 D171 L350 R351 G352 W374	P92-C355 WeakPolarHBondContact CD-O 3.5Å; D171-C355 HydrophobicContact CB-CB 4.21Å; D171-C355 WeakPolarHBondContact O-CA 3.48Å; L350-C355 HydrophobicContact CB-CB 4.46Å; R351-C355 PolarHBondContact O-N 2.6Å; G352-C355 PolarHBondContact O-N 3.02Å; C355-W374 HydrophobicContact CB-CD2 3.58Å; C355-W374 HydrophobicContact CB-CE3 3.66Å; C355-W374 HydrophobicContact CB-CG 4.14Å; C355-W374 HydrophobicContact CB-CH2 4.19Å; C355-W374 HydrophobicContact CB-CZ2 4.13Å; C355-W374 HydrophobicContact CB-CZ3 3.97Å; C355-W374 WeakPolarHBondContact SG-CZ3 3.4Å
356	I	90.1	Very high	76.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	130.4	175.4	-63.1	166.2	0	0	0	108.8	L88 P92 V93 F97 I137 F170 D171 L172 M173	L88-I356 HydrophobicContact CD2-CG2 3.96Å; P92-I356 HydrophobicContact CB-CG1 4.24Å; P92-I356 HydrophobicContact CG-CG1 4.17Å; V93-I356 HydrophobicContact CG2-CG1 4.27Å; V93-I356 HydrophobicContact CG2-CG2 4.22Å; F97-I356 HydrophobicContact CE1-CD1 4.14Å; F97-I356 HydrophobicContact CE2-CD1 3.73Å; F97-I356 HydrophobicContact CZ-CD1 3.31Å; F97-I356 HydrophobicContact CZ-CG1 4.41Å; I137-I356 HydrophobicContact CD1-CG2 4.17Å; I137-I356 HydrophobicContact CG2-CB 4.44Å; I137-I356 HydrophobicContact CG2-CD1 3.72Å; F170-I356 HydrophobicContact CB-CD1 3.7Å; F170-I356 HydrophobicContact CB-CG1 4.26Å; F170-I356 HydrophobicContact CD1-CD1 4.06Å; F170-I356 HydrophobicContact CD1-CG1 4.44Å; F170-I356 HydrophobicContact CD2-CD1 3.76Å; F170-I356 HydrophobicContact CE2-CD1 4.4Å; F170-I356 HydrophobicContact CG-CD1 3.55Å; F170-I356 HydrophobicContact CG-CG1 4.3Å; D171-I356 PolarHBondContact O-N 3.33Å; L172-I356 CarbonylContact C-O 3.47Å; L172-I356 WeakPolarHBondContact CA-O 3.47Å; M173-I356 PolarHBondContact N-O 3.4Å
357	S	89.7	Confident	74.4	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.1	172	-179.3	0	0	0	0	109.4	L88 S89 M173 P372	L88-S357 CarbonylContact C-O 3.53Å; L88-S357 VanDerWaalsContact CA-O 3.3Å; L88-S357 WeakPolarHBondContact CA-O 3.3Å; S89-S357 PolarHBondContact N-O 3.07Å; S89-S357 PolarHBondContact O-N 2.87Å; S89-S357 WeakPolarHBondContact OG-CB 3.42Å; M173-S357 WeakPolarHBondContact CE-OG 3.41Å; M173-S357 CarbonylContact O-C 3.57Å; M173-S357 VanDerWaalsContact O-CA 3.27Å; M173-S357 WeakPolarHBondContact O-CA 3.4Å; S357-P372 VanDerWaalsContact CB-O 3.3Å; S357-P372 WeakPolarHBondContact CB-O 3.25Å; S357-P372 PolarHBondContact OG-O 2.95Å
358	L	88.2	Confident	72.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.5	178.1	169.4	65.3	0	0	0	109.3	A86 L88 H133 A134 L172 M173 A174 T175 L360	A86-L358 HydrophobicContact CB-CD1 3.93Å; L88-L358 HydrophobicContact CD2-CB 3.96Å; L88-L358 HydrophobicContact CD2-CD1 3.59Å; L88-L358 HydrophobicContact CD2-CG 4.37Å; H133-L358 HydrophobicContact CB-CD1 3.9Å; H133-L358 HydrophobicContact CB-CD2 3.82Å; A134-L358 HydrophobicContact CB-CD2 4.31Å; L172-L358 HydrophobicContact CD1-CB 3.9Å; M173-L358 PolarHBondContact O-N 3.38Å; A174-L358 WeakPolarHBondContact CA-O 3.35Å; A174-L358 HydrophobicContact CB-CB 4.38Å; A174-L358 HydrophobicContact CB-CD2 4.38Å; T175-L358 WeakPolarHBondContact CG2-O 3.5Å; T175-L358 PolarHBondContact N-O 3.15Å; L358-L360 HydrophobicContact CD1-CD2 4.33Å
359	T	83.2	Confident	69.6	Low	4 Å²	4	43.2 Å²	43.2	3%	0.025	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.6	174.5	-61.8	0	0	0	0	110.3	S87 T175 T369 P372	S87-T359 PolarHBondContact N-O 2.78Å; S87-T359 PolarHBondContact O-N 2.8Å; S87-T359 VanDerWaalsContact OG-CB 3.3Å; S87-T359 WeakPolarHBondContact OG-CB 3.11Å; S87-T359 PolarHBondContact OG-O 3.14Å; T175-T359 HydrophobicContact CG2-CG2 4.44Å; T175-T359 WeakPolarHBondContact CG2-OG1 3.27Å; T175-T359 WeakPolarHBondContact OG1-CA 3.43Å; T175-T359 WeakPolarHBondContact OG1-CG2 3.47Å; T359-T369 HydrophobicContact CG2-CG2 4.21Å; T359-P372 WeakPolarHBondContact OG1-CD 3.21Å
360	L	76.8	Confident	67.3	Low	37 Å²	37	46 Å²	46	19%	0.194	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	121.6	176	-62.4	169.9	0	0	0	109.4	A86 P129 V130 L358	A86-L360 HydrophobicContact CB-CD2 3.81Å; P129-L360 HydrophobicContact CB-CD1 4.38Å; P129-L360 HydrophobicContact CB-CD2 4.29Å; V130-L360 HydrophobicContact CB-CD1 3.51Å; V130-L360 HydrophobicContact CG2-CD1 4.03Å; L358-L360 HydrophobicContact CD1-CD2 4.33Å
361	S	64.2	Low	65.3	Low	26 Å²	26	47.9 Å²	47.9	18%	0.182	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	148.4	172.5	49	0	0	0	0	111.1	S84 H85 S365	S84-S361 CarbonylContact C-O 3.49Å; S84-S361 VanDerWaalsContact CA-O 3.28Å; S84-S361 WeakPolarHBondContact CA-O 3.4Å; H85-S361 PolarHBondContact N-O 3.15Å; H85-S361 VanDerWaalsContact N-O 3.09Å; H85-S361 PolarHBondContact O-N 3.01Å; H85-S361 VanDerWaalsContact O-N 3.1Å; H85-S361 PolarHBondContact O-OG 3.33Å; S361-S365 WeakPolarHBondContact CB-OG 3.4Å
362	S	55.1	Low	63.4	Low	56 Å²	56	48.3 Å²	48.3	39%	0.392	30%	0.299	S	S	.	.			trans	-74.1	144.8	165.4	55.2	0	0	0	0	109.1	E364 S365	S362-E364 PolarHBondContact O-N 3.2Å; S362-S365 PolarHBondContact O-N 3.39Å; S362-S365 PolarHBondContact O-OG 3.2Å; S362-S365 VanDerWaalsContact O-OG 3.11Å
363	A	50.6	Low	62.2	Low	54 Å²	54	49.9 Å²	49.9	45%	0.446	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-21.3	-177.3	0	0	0	0	0	113.9
364	E	45.7	Very low	61	Low	156 Å²	156	46.5 Å²	46.5	73%	0.729	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-8.1	178.9	-63	179.2	-178	0	0	113.9	S362 N366	S362-E364 PolarHBondContact O-N 3.2Å; E364-N366 VanDerWaalsContact C-N 3.32Å; E364-N366 PolarHBondContact O-N 2.98Å
365	S	46	Very low	59.1	Low	21 Å²	21	46.7 Å²	46.7	15%	0.147	29%	0.294	C	S	.	.			trans	-92.7	41.4	-177.4	82	0	0	0	0	113.3	S361 S362 T367 T369	S361-S365 WeakPolarHBondContact CB-OG 3.4Å; S362-S365 PolarHBondContact O-N 3.39Å; S362-S365 PolarHBondContact O-OG 3.2Å; S362-S365 VanDerWaalsContact O-OG 3.11Å; S365-T367 PolarHBondContact O-N 3.09Å; S365-T367 VanDerWaalsContact O-N 3.11Å; S365-T369 PolarHBondContact O-OG1 3.39Å; S365-T369 PolarHBondContact OG-OG1 2.93Å
366	N	38.1	Very low	57.2	Low	157 Å²	157	53.6 Å²	53.6	84%	0.84	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	0.7	173.3	-90.2	-10	0	0	0	113.6	E364	E364-N366 VanDerWaalsContact C-N 3.32Å; E364-N366 PolarHBondContact O-N 2.98Å
367	T	37.4	Very low	54.9	Low	119 Å²	119	56.1 Å²	56.1	73%	0.73	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	86.3	173.4	58.7	0	0	0	0	110.9	S365	S365-T367 PolarHBondContact O-N 3.09Å; S365-T367 VanDerWaalsContact O-N 3.11Å
368	G	41.1	Very low	52.8	Low	50 Å²	50	59.1 Å²	59.1	52%	0.515	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	21.9	155.5	0	0	0	0	0	118	I370 R391	G368-I370 PolarHBondContact O-N 3.38Å; G368-R391 PolarHBondContact O-NH2 3.26Å
369	T	38.5	Very low	50.4	Low	52 Å²	52	70.8 Å²	70.8	32%	0.319	40%	0.404	S	S	.	.			trans	-67.9	98.9	168.3	-51.8	0	0	0	0	109.2	T359 S365 V371	T359-T369 HydrophobicContact CG2-CG2 4.21Å; S365-T369 PolarHBondContact O-OG1 3.39Å; S365-T369 PolarHBondContact OG-OG1 2.93Å; T369-V371 PolarHBondContact O-N 2.88Å; T369-V371 VanDerWaalsContact O-N 3.15Å
370	I	45.1	Very low	48.3	Very low	64 Å²	64	75 Å²	75	33%	0.328	43%	0.426	S	S	.	.			trans	-70.8	111.8	175.6	-65.5	167.3	0	0	0	107.8	G368 P372 I378 E383	G368-I370 PolarHBondContact O-N 3.38Å; I370-P372 VanDerWaalsContact O-CD 3.24Å; I370-P372 WeakPolarHBondContact O-CD 3.39Å; I370-I378 HydrophobicContact CG2-CD1 3.49Å; I370-I378 VanDerWaalsContact CG2-CD1 3.49Å; I370-I378 HydrophobicContact CG2-CG1 4.27Å; I370-E383 WeakPolarHBondContact CD1-OE1 3.26Å
371	V	48.4	Very low	46.7	Very low	44 Å²	44	83.2 Å²	83.2	27%	0.267	46%	0.46	S	S	.	.			trans	-72.4	113.1	172.6	-176.7	0	0	0	0	107.5	S87 T369 T373	S87-V371 WeakPolarHBondContact OG-CG2 3.35Å; T369-V371 PolarHBondContact O-N 2.88Å; T369-V371 VanDerWaalsContact O-N 3.15Å; V371-T373 PolarHBondContact O-N 3.1Å
372	P	51	Low	45.6	Very low	15 Å²	15	87.3 Å²	87.3	10%	0.097	48%	0.475	C	S	.	.			trans	-60.2	113.1	176.2	23	-31.5	0	0	0	108.7	S89 M173 T175 Y338 S357 T359 I370	S89-P372 PolarHBondContact OG-O 2.91Å; M173-P372 HydrophobicContact CE-CB 3.96Å; M173-P372 HydrophobicContact CE-CG 4.22Å; T175-P372 HydrophobicContact CG2-CG 3.81Å; Y338-P372 HydrophobicContact CD1-CB 4.35Å; Y338-P372 HydrophobicContact CD1-CG 4.41Å; Y338-P372 HydrophobicContact CD2-CG 4.05Å; Y338-P372 HydrophobicContact CE2-CG 4.4Å; Y338-P372 HydrophobicContact CG-CB 4.19Å; Y338-P372 HydrophobicContact CG-CG 4.09Å; S357-P372 VanDerWaalsContact CB-O 3.3Å; S357-P372 WeakPolarHBondContact CB-O 3.25Å; S357-P372 PolarHBondContact OG-O 2.95Å; T359-P372 WeakPolarHBondContact OG1-CD 3.21Å; I370-P372 VanDerWaalsContact O-CD 3.24Å; I370-P372 WeakPolarHBondContact O-CD 3.39Å
373	T	55.5	Low	45.1	Very low	56 Å²	56	86 Å²	86	34%	0.344	46%	0.462	S	S	.	.			trans	-85.5	126.4	175	-51.9	0	0	0	0	108.5	V371 G375 K376	V371-T373 PolarHBondContact O-N 3.1Å; T373-G375 PolarHBondContact O-N 2.82Å; T373-K376 HydrophobicContact CG2-CD 4.02Å; T373-K376 HydrophobicContact CG2-CG 4.3Å; T373-K376 PolarHBondContact O-N 3.19Å; T373-K376 VanDerWaalsContact O-N 3.09Å
374	W	57	Low	45.3	Very low	17 Å²	17	87.9 Å²	87.9	6%	0.064	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	134.5	176.5	176.3	-93.9	0	0	0	112	F91 M173 A346 L350 G352 C355 K376	F91-W374 AromaticContact CD2-CD1 3.62Å; F91-W374 AromaticContact CE2-CD1 3.85Å; M173-W374 HydrophobicContact SD-CE3 4.41Å; M173-W374 HydrophobicContact SD-CZ3 4.49Å; A346-W374 HydrophobicContact CB-CZ3 4.02Å; A346-W374 VanDerWaalsContact O-CH2 3.31Å; A346-W374 WeakPolarHBondContact O-CH2 3.37Å; L350-W374 HydrophobicContact CB-CH2 3.56Å; L350-W374 HydrophobicContact CB-CZ2 4.47Å; L350-W374 HydrophobicContact CB-CZ3 3.86Å; L350-W374 HydrophobicContact CD1-CH2 4.01Å; L350-W374 HydrophobicContact CD1-CZ3 3.57Å; L350-W374 HydrophobicContact CG-CH2 4.41Å; L350-W374 HydrophobicContact CG-CZ3 4.32Å; G352-W374 VanDerWaalsContact CA-CZ2 3.46Å; G352-W374 VanDerWaalsContact O-CD1 3.26Å; G352-W374 PolarHBondContact O-NE1 3.29Å; C355-W374 HydrophobicContact CB-CD2 3.58Å; C355-W374 HydrophobicContact CB-CE3 3.66Å; C355-W374 HydrophobicContact CB-CG 4.14Å; C355-W374 HydrophobicContact CB-CH2 4.19Å; C355-W374 HydrophobicContact CB-CZ2 4.13Å; C355-W374 HydrophobicContact CB-CZ3 3.97Å; C355-W374 WeakPolarHBondContact SG-CZ3 3.4Å; W374-K376 PolarHBondContact O-N 3.4Å
375	G	48.6	Very low	45.6	Very low	53 Å²	53	84 Å²	84	55%	0.546	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	-14.9	177.8	0	0	0	0	0	115.4	T373 A377	T373-G375 PolarHBondContact O-N 2.82Å; G375-A377 PolarHBondContact O-N 3.5Å
376	K	50.4	Low	46.1	Very low	145 Å²	145	84.6 Å²	84.6	63%	0.63	45%	0.446	S	S	*	.			trans	-92.3	88.4	168.7	-64.2	-175.2	-178.2	175.7	0	108.1	T373 W374 I378	T373-K376 HydrophobicContact CG2-CD 4.02Å; T373-K376 HydrophobicContact CG2-CG 4.3Å; T373-K376 PolarHBondContact O-N 3.19Å; T373-K376 VanDerWaalsContact O-N 3.09Å; W374-K376 PolarHBondContact O-N 3.4Å; K376-I378 PolarHBondContact O-N 3.12Å
377	A	43.3	Very low	47	Very low	52 Å²	52	80.6 Å²	80.6	43%	0.43	43%	0.425	S	S	.	.			trans	-55.9	118.4	152.7	0	0	0	0	0	105.6	T343 G375 R379	T343-A377 HydrophobicContact CG2-CB 4.3Å; G375-A377 PolarHBondContact O-N 3.5Å; A377-R379 VanDerWaalsContact C-N 3.28Å; A377-R379 PolarHBondContact O-N 3.06Å
378	I	45.5	Very low	48	Very low	63 Å²	63	77.8 Å²	77.8	32%	0.323	40%	0.401	S	S	.	.			trans	-55.9	98.8	178.6	-64.4	158.4	0	0	0	106.2	I370 K376 N380	I370-I378 HydrophobicContact CG2-CD1 3.49Å; I370-I378 VanDerWaalsContact CG2-CD1 3.49Å; I370-I378 HydrophobicContact CG2-CG1 4.27Å; K376-I378 PolarHBondContact O-N 3.12Å; I378-N380 HydrophobicContact CG2-CB 3.56Å; I378-N380 WeakPolarHBondContact CG2-ND2 3.27Å; I378-N380 PolarHBondContact O-N 3.49Å
379	R	37.1	Very low	48.9	Very low	246 Å²	246	75.8 Å²	75.8	93%	0.928	38%	0.379	S	S	*	.			trans	-74.4	47.3	168.4	-89	-171.8	171.3	179.6	-1.5	107.9	A377 K381	A377-R379 VanDerWaalsContact C-N 3.28Å; A377-R379 PolarHBondContact O-N 3.06Å; R379-K381 PolarHBondContact O-N 2.78Å
380	N	39.3	Very low	50	Low	91 Å²	91	75.2 Å²	75.2	49%	0.487	38%	0.375	S	S	.	.			trans	-75.1	127.7	162.4	-73.2	-10.1	0	0	0	105.9	I378 K382 E383	I378-N380 HydrophobicContact CG2-CB 3.56Å; I378-N380 WeakPolarHBondContact CG2-ND2 3.27Å; I378-N380 PolarHBondContact O-N 3.49Å; N380-K382 VanDerWaalsContact C-N 3.3Å; N380-K382 PolarHBondContact O-N 3.25Å; N380-E383 HydrophobicContact CB-CB 4.32Å
381	K	42.2	Very low	50.7	Low	211 Å²	211	76.9 Å²	76.9	92%	0.917	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	101	161.9	-79.8	175	171.7	174.6	0	106.6	R379	R379-K381 PolarHBondContact O-N 2.78Å
382	K	41	Very low	51.1	Low	112 Å²	112	76.2 Å²	76.2	49%	0.487	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	38.3	84.8	-174.1	-69.4	176.9	166.4	-167.4	0	112.6	N380 D384 K602	N380-K382 VanDerWaalsContact C-N 3.3Å; N380-K382 PolarHBondContact O-N 3.25Å; K382-D384 PolarHBondContact O-N 2.8Å; K382-K602 VanDerWaalsContact CE-CD 3.45Å
383	E	44.9	Very low	51.8	Low	29 Å²	29	76.6 Å²	76.6	14%	0.136	37%	0.373	C	S	.	.			trans	-59.1	111.5	151.7	-146.5	178.8	-159.4	0	0	105.9	I370 N380 E385 R388	I370-E383 WeakPolarHBondContact CD1-OE1 3.26Å; N380-E383 HydrophobicContact CB-CB 4.32Å; E383-E385 PolarHBondContact O-N 3.14Å; E383-R388 IonicContact OE2-NH2 2.81Å
384	D	54.5	Low	52.2	Low	92 Å²	92	74.7 Å²	74.7	49%	0.492	36%	0.361	S	S	.	.			trans	-64.6	128.8	-176.4	-80.9	-28	0	0	0	107.1	K382 F386 D387	K382-D384 PolarHBondContact O-N 2.8Å; D384-F386 HydrophobicContact CB-CB 4.01Å; D384-F386 PolarHBondContact O-N 2.96Å; D384-D387 PolarHBondContact O-N 3.32Å
385	E	52.2	Low	52.7	Low	75 Å²	75	81 Å²	81	35%	0.35	39%	0.389	S	S	.	.	H	α-helix	trans	-45.9	-29.2	173.3	-171.6	170.8	-149.4	0	0	111.8	E383 R388 L389	E383-E385 PolarHBondContact O-N 3.14Å; E385-R388 WeakPolarHBondContact O-CB 3.39Å; E385-R388 PolarHBondContact O-N 3.31Å; E385-R388 VanDerWaalsContact O-N 3.14Å; E385-L389 PolarHBondContact O-N 3.45Å
386	F	56.3	Low	53.7	Low	33 Å²	33	82 Å²	82	15%	0.145	38%	0.38	C	S	.	.	H	α-helix	trans	-53.2	-47.3	170	-170.4	-98.1	0	0	0	115.3	D384 R388 L389 T390 Q559 L560	D384-F386 HydrophobicContact CB-CB 4.01Å; D384-F386 PolarHBondContact O-N 2.96Å; F386-R388 PolarHBondContact O-N 2.82Å; F386-L389 PolarHBondContact O-N 3.17Å; F386-T390 HydrophobicContact CD1-CG2 4.44Å; F386-T390 HydrophobicContact CE1-CG2 3.82Å; F386-T390 HydrophobicContact CZ-CG2 3.84Å; F386-T390 WeakPolarHBondContact O-CG2 3.47Å; F386-T390 PolarHBondContact O-N 3.11Å; F386-T390 VanDerWaalsContact O-N 3.13Å; F386-T390 PolarHBondContact O-OG1 3.33Å; F386-Q559 HydrophobicContact CD2-CB 3.77Å; F386-Q559 HydrophobicContact CE1-CB 4.39Å; F386-Q559 HydrophobicContact CE2-CB 3.15Å; F386-Q559 HydrophobicContact CE2-CG 4.46Å; F386-Q559 HydrophobicContact CZ-CB 3.54Å; F386-Q559 WeakPolarHBondContact CZ-O 3.31Å; F386-L560 HydrophobicContact CD2-CD2 4.4Å; F386-L560 HydrophobicContact CE2-CB 4.25Å; F386-L560 HydrophobicContact CE2-CD2 3.67Å; F386-L560 HydrophobicContact CE2-CG 3.77Å; F386-L560 VanDerWaalsContact CZ-CA 3.44Å; F386-L560 HydrophobicContact CZ-CB 4.46Å; F386-L560 HydrophobicContact CZ-CD2 4.01Å; F386-L560 HydrophobicContact CZ-CG 4.34Å
387	D	58.1	Low	55.2	Low	74 Å²	74	75.6 Å²	75.6	40%	0.396	35%	0.352	S	S	.	.	H	α-helix	trans	-66.6	-23.1	177.5	-75.6	-13.9	0	0	0	112.2	D384 T390 R391	D384-D387 PolarHBondContact O-N 3.32Å; D387-T390 PolarHBondContact O-OG1 2.86Å; D387-R391 WeakPolarHBondContact O-CG 3.37Å
388	R	58.5	Low	57.3	Low	59 Å²	59	76.4 Å²	76.4	22%	0.223	35%	0.35	C	S	.	.	H	α-helix	trans	-74.4	-44	174.3	-60.5	-179	176.9	157.8	1.2	110.5	P339 E383 E385 F386 R391 I392	P339-R388 VanDerWaalsContact CA-NH1 3.31Å; E383-R388 IonicContact OE2-NH2 2.81Å; E385-R388 WeakPolarHBondContact O-CB 3.39Å; E385-R388 PolarHBondContact O-N 3.31Å; E385-R388 VanDerWaalsContact O-N 3.14Å; F386-R388 PolarHBondContact O-N 2.82Å; R388-R391 PolarHBondContact O-N 3.33Å; R388-I392 WeakPolarHBondContact O-CG1 3.49Å; R388-I392 PolarHBondContact O-N 3.08Å
389	L	58.8	Low	59.4	Low	8 Å²	8	74.8 Å²	74.8	4%	0.042	34%	0.34	C	S	.	.	H	α-helix	trans	-66.3	-38.5	-177.6	-69.8	166.6	0	0	0	112.3	E385 F386 R391 I392 L516 D517 V520 L560	E385-L389 PolarHBondContact O-N 3.45Å; F386-L389 PolarHBondContact O-N 3.17Å; L389-R391 PolarHBondContact O-N 2.86Å; L389-I392 HydrophobicContact CD2-CD1 4.08Å; L389-I392 PolarHBondContact O-N 3.22Å; L389-I392 VanDerWaalsContact O-N 3.13Å; L389-L516 HydrophobicContact CD1-CB 4.47Å; L389-L516 HydrophobicContact CD1-CD2 3.39Å; L389-L516 HydrophobicContact CD1-CG 3.8Å; L389-D517 HydrophobicContact CD2-CB 4.46Å; L389-D517 VanDerWaalsContact CD2-OD1 3.26Å; L389-D517 WeakPolarHBondContact CD2-OD1 3.29Å; L389-V520 HydrophobicContact CB-CG2 4.3Å; L389-V520 HydrophobicContact CD2-CB 4.19Å; L389-V520 HydrophobicContact CD2-CG1 4.41Å; L389-V520 HydrophobicContact CD2-CG2 3.85Å; L389-L560 HydrophobicContact CB-CD2 4.05Å
390	T	61.7	Low	62	Low	40 Å²	40	66.1 Å²	66.1	25%	0.245	31%	0.311	C	S	.	.	H	α-helix	trans	-61.2	-32.3	175.7	54.1	0	0	0	0	112.8	F386 D387 L560 S563	F386-T390 HydrophobicContact CD1-CG2 4.44Å; F386-T390 HydrophobicContact CE1-CG2 3.82Å; F386-T390 HydrophobicContact CZ-CG2 3.84Å; F386-T390 WeakPolarHBondContact O-CG2 3.47Å; F386-T390 PolarHBondContact O-N 3.11Å; F386-T390 VanDerWaalsContact O-N 3.13Å; F386-T390 PolarHBondContact O-OG1 3.33Å; D387-T390 PolarHBondContact O-OG1 2.86Å; T390-L560 HydrophobicContact CG2-CD2 3.59Å; T390-S563 VanDerWaalsContact CG2-OG 3.28Å; T390-S563 WeakPolarHBondContact CG2-OG 3.42Å
391	R	59.5	Low	64.5	Low	100 Å²	100	62.8 Å²	62.8	38%	0.377	29%	0.292	S	S	.	.	H	α-helix	trans	-73.6	-23.9	176.3	-70.7	-179.5	-177.4	144.4	11	114.1	G368 D387 R388 L389	G368-R391 PolarHBondContact O-NH2 3.26Å; D387-R391 WeakPolarHBondContact O-CG 3.37Å; R388-R391 PolarHBondContact O-N 3.33Å; L389-R391 PolarHBondContact O-N 2.86Å
392	I	58.2	Low	67	Low	30 Å²	30	54.9 Å²	54.9	15%	0.154	26%	0.258	C	S	.	.	H	α-helix	trans	-77	-34.1	-176.9	-61.4	164.7	0	0	0	110.7	Q177 T337 R388 L389 P394 V520	Q177-I392 PolarHBondContact NE2-O 3.46Å; T337-I392 HydrophobicContact CG2-CD1 3.22Å; T337-I392 HydrophobicContact CG2-CG1 3.44Å; T337-I392 VanDerWaalsContact CG2-CG1 3.44Å; R388-I392 WeakPolarHBondContact O-CG1 3.49Å; R388-I392 PolarHBondContact O-N 3.08Å; L389-I392 HydrophobicContact CD2-CD1 4.08Å; L389-I392 PolarHBondContact O-N 3.22Å; L389-I392 VanDerWaalsContact O-N 3.13Å; I392-P394 WeakPolarHBondContact O-CD 3.2Å; I392-V520 HydrophobicContact CB-CG1 3.67Å; I392-V520 HydrophobicContact CD1-CG1 4.22Å; I392-V520 HydrophobicContact CG2-CG1 3.47Å; I392-V520 VanDerWaalsContact CG2-CG1 3.47Å
393	I	65.4	Low	69.4	Low	23 Å²	23	52.7 Å²	52.7	12%	0.118	25%	0.254	C	S	.	.	S	Bend	trans	-75.1	113	-176.6	-55	173.1	0	0	0	108.7	K395 V520 I523 L560	I393-K395 PolarHBondContact O-N 3.4Å; I393-V520 HydrophobicContact CD1-CG2 4.07Å; I393-V520 HydrophobicContact CG1-CB 4.5Å; I393-V520 HydrophobicContact CG1-CG1 3.8Å; I393-V520 HydrophobicContact CG1-CG2 4.21Å; I393-I523 HydrophobicContact CD1-CD1 4Å; I393-I523 HydrophobicContact CG1-CD1 4.05Å; I393-I523 HydrophobicContact CG2-CD1 3.98Å; I393-L560 HydrophobicContact CD1-CD1 4.02Å; I393-L560 HydrophobicContact CD1-CD2 4.28Å
394	P	62.8	Low	71.7	Confident	15 Å²	15	51.7 Å²	51.7	10%	0.097	25%	0.25	C	C	.	.			trans	-58.5	135.7	171.1	-15.3	29	0	0	0	109.7	I392 E396 I397	I392-P394 WeakPolarHBondContact O-CD 3.2Å; P394-E396 VanDerWaalsContact C-OE2 3.23Å; P394-E396 WeakPolarHBondContact CA-OE2 3.33Å; P394-E396 WeakPolarHBondContact CB-OE2 3.4Å; P394-E396 PolarHBondContact O-N 2.98Å; P394-E396 VanDerWaalsContact O-N 3.11Å; P394-I397 HydrophobicContact CB-CD1 4.49Å; P394-I397 HydrophobicContact CB-CG1 4.21Å; P394-I397 HydrophobicContact CG-CD1 3.98Å; P394-I397 HydrophobicContact CG-CG1 4.24Å; P394-I397 PolarHBondContact O-N 3.2Å; P394-I397 VanDerWaalsContact O-N 3.16Å
395	K	67.9	Low	73.4	Confident	150 Å²	150	53.5 Å²	53.5	65%	0.652	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.8	179.1	-68.4	-176.6	179.3	179.8	0	112.1	I393 I397	I393-K395 PolarHBondContact O-N 3.4Å; K395-I397 PolarHBondContact O-N 2.95Å
396	E	70.9	Confident	75.2	Confident	74 Å²	74	52.3 Å²	52.3	35%	0.346	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-9.5	-179.2	-55.4	80.3	-178.6	0	0	113	P394 N398 S532 G533	P394-E396 VanDerWaalsContact C-OE2 3.23Å; P394-E396 WeakPolarHBondContact CA-OE2 3.33Å; P394-E396 WeakPolarHBondContact CB-OE2 3.4Å; P394-E396 PolarHBondContact O-N 2.98Å; P394-E396 VanDerWaalsContact O-N 3.11Å; E396-N398 PolarHBondContact O-N 3.27Å; E396-S532 WeakPolarHBondContact O-CA 3.17Å; E396-G533 PolarHBondContact O-N 2.92Å; E396-G533 VanDerWaalsContact O-N 3.08Å
397	I	81.5	Confident	76.8	Confident	10 Å²	10	54.8 Å²	54.8	5%	0.051	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	111.2	176.8	-56.1	-173.4	0	0	0	110.2	P394 K395 Q399 I523 T526 G533 A535	P394-I397 HydrophobicContact CB-CD1 4.49Å; P394-I397 HydrophobicContact CB-CG1 4.21Å; P394-I397 HydrophobicContact CG-CD1 3.98Å; P394-I397 HydrophobicContact CG-CG1 4.24Å; P394-I397 PolarHBondContact O-N 3.2Å; P394-I397 VanDerWaalsContact O-N 3.16Å; K395-I397 PolarHBondContact O-N 2.95Å; I397-Q399 HydrophobicContact CG2-CG 3.94Å; I397-Q399 PolarHBondContact O-N 2.73Å; I397-I523 WeakPolarHBondContact CD1-O 3.44Å; I397-T526 HydrophobicContact CD1-CG2 4.3Å; I397-T526 WeakPolarHBondContact CD1-O 3.08Å; I397-T526 HydrophobicContact CG1-CG2 4.46Å; I397-T526 HydrophobicContact CG2-CG2 4.11Å; I397-G533 CarbonylContact C-O 3.55Å; I397-G533 WeakPolarHBondContact CA-O 3.46Å; I397-A535 HydrophobicContact CG2-CB 3.6Å
398	N	86.9	Confident	78.2	Confident	70 Å²	70	52.6 Å²	52.6	37%	0.374	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	105.5	169.3	-171.1	17.1	0	0	0	109.9	E396 Q400 G533 A535	E396-N398 PolarHBondContact O-N 3.27Å; N398-Q400 PolarHBondContact ND2-NE2 2.93Å; N398-G533 PolarHBondContact N-O 3.02Å; N398-A535 PolarHBondContact O-N 2.75Å
399	Q	90.1	Very high	79.5	Confident	28 Å²	28	57.4 Å²	57.4	13%	0.131	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130.3	-179.7	-61.9	173.6	68.5	0	0	111	I397 Y519 I523 A535 F561	I397-Q399 HydrophobicContact CG2-CG 3.94Å; I397-Q399 PolarHBondContact O-N 2.73Å; Q399-Y519 PolarHBondContact OE1-OH 3.43Å; Q399-I523 HydrophobicContact CG-CD1 4.18Å; Q399-A535 CarbonylContact C-O 3.56Å; Q399-A535 WeakPolarHBondContact CA-O 3.29Å; Q399-A535 HydrophobicContact CG-CB 4.16Å; Q399-F561 HydrophobicContact CB-CE1 4.24Å; Q399-F561 HydrophobicContact CB-CE2 4.41Å; Q399-F561 HydrophobicContact CB-CZ 3.52Å; Q399-F561 HydrophobicContact CG-CZ 4.39Å
400	Q	91	Very high	81.1	Confident	65 Å²	65	61 Å²	61	30%	0.304	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	149.1	-178.7	-61.1	-179.9	2.9	0	0	110.8	N398 A535 I536 T537	N398-Q400 PolarHBondContact ND2-NE2 2.93Å; Q400-A535 PolarHBondContact N-O 3.34Å; Q400-I536 HydrophobicContact CB-CG1 4.43Å; Q400-I536 CarbonylContact O-C 3.23Å; Q400-I536 WeakPolarHBondContact O-CA 3.47Å; Q400-T537 PolarHBondContact O-N 2.81Å
401	F	93	Very high	82.6	Confident	21 Å²	21	60 Å²	60	9%	0.092	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	136.1	172.8	-60.9	-82	0	0	0	109.6	Y519 T537 I539 I557 F561 V570 P571 L574	F401-Y519 HydrophobicContact CE1-CE2 4.5Å; F401-T537 WeakPolarHBondContact CA-O 3.32Å; F401-T537 HydrophobicContact CD1-CG2 4.04Å; F401-T537 HydrophobicContact CE1-CG2 4.16Å; F401-I539 HydrophobicContact CB-CD1 4.02Å; F401-I539 HydrophobicContact CD1-CD1 3.69Å; F401-I539 HydrophobicContact CD1-CG1 4.37Å; F401-I539 HydrophobicContact CG-CD1 4.16Å; F401-I557 HydrophobicContact CE1-CD1 4.47Å; F401-I557 HydrophobicContact CE1-CG2 4.02Å; F401-I557 HydrophobicContact CE2-CG2 4.17Å; F401-I557 HydrophobicContact CZ-CG2 3.38Å; F401-F561 HydrophobicContact CD2-CZ 4.34Å; F401-F561 HydrophobicContact CE2-CD2 4.28Å; F401-F561 AromaticContact CE2-CE1 3.86Å; F401-F561 HydrophobicContact CE2-CE1 3.86Å; F401-F561 AromaticContact CE2-CE2 3.56Å; F401-F561 HydrophobicContact CE2-CE2 3.56Å; F401-F561 AromaticContact CE2-CZ 3.3Å; F401-F561 HydrophobicContact CE2-CZ 3.3Å; F401-F561 HydrophobicContact CZ-CD2 4.48Å; F401-F561 AromaticContact CZ-CE2 3.66Å; F401-F561 HydrophobicContact CZ-CE2 3.66Å; F401-F561 AromaticContact CZ-CZ 3.79Å; F401-F561 HydrophobicContact CZ-CZ 3.79Å; F401-V570 HydrophobicContact CE2-CG2 4.22Å; F401-P571 HydrophobicContact CB-CG 3.36Å; F401-P571 HydrophobicContact CG-CG 4.19Å; F401-L574 HydrophobicContact CD1-CD2 4.41Å; F401-L574 HydrophobicContact CE1-CD2 4.16Å; F401-L574 HydrophobicContact CZ-CD2 4.39Å
402	Q	93.4	Very high	84.2	Confident	45 Å²	45	55.5 Å²	55.5	21%	0.21	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120.7	177.3	-62.2	-171.8	10.3	0	0	109.2	H415 I536 T537 L538 I539	Q402-H415 PolarHBondContact OE1-NE2 2.57Å; Q402-I536 HydrophobicContact CG-CG2 4Å; Q402-T537 PolarHBondContact N-O 2.8Å; Q402-L538 HydrophobicContact CB-CD2 4.05Å; Q402-L538 WeakPolarHBondContact O-CA 3.26Å; Q402-I539 PolarHBondContact O-N 2.82Å
403	V	92.2	Very high	85.9	Confident	65 Å²	65	54.7 Å²	54.7	39%	0.394	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	121.2	177.7	-178.3	0	0	0	0	108.5	I539 P571 L573	V403-I539 CarbonylContact C-O 3.54Å; V403-I539 WeakPolarHBondContact CA-O 3.45Å; V403-P571 HydrophobicContact CG2-CB 3.71Å; V403-P571 HydrophobicContact CG2-CG 4.05Å; V403-L573 HydrophobicContact CG1-CD2 3.95Å
404	V	92.3	Very high	87.3	Confident	9 Å²	9	56.9 Å²	56.9	6%	0.055	31%	0.311	C	S	.	.			trans	-99.8	129	178	-175.9	0	0	0	0	108.6	A411 V412 H415 L538 I539 H540	V404-A411 HydrophobicContact CG1-CB 3.72Å; V404-V412 HydrophobicContact CB-CG2 4.36Å; V404-V412 HydrophobicContact CG1-CG2 4.14Å; V404-H415 HydrophobicContact CG1-CB 4.23Å; V404-H415 HydrophobicContact CG2-CB 4.14Å; V404-L538 HydrophobicContact CG2-CB 4.43Å; V404-I539 PolarHBondContact N-O 2.99Å; V404-H540 PolarHBondContact O-CD2 3.2Å
405	V	90.2	Very high	88.8	Confident	130 Å²	130	58.3 Å²	58.3	79%	0.788	32%	0.317	S	S	*	.			trans	-109.8	139.1	179.7	-177.2	0	0	0	0	109.3
406	G	90	Very high	90.1	Very high	49 Å²	49	51.2 Å²	51.2	51%	0.505	29%	0.286	S	S	.	.	S	Bend	trans	131.7	-156	175.4	0	0	0	0	0	112.6	H540	G406-H540 PolarHBondContact O-CE1 3.42Å; G406-H540 PolarHBondContact O-NE2 2.71Å
407	N	89.4	Confident	91.2	Very high	86 Å²	86	48.3 Å²	48.3	46%	0.46	27%	0.273	S	S	.	.			trans	-78.6	122.7	170.4	176.5	-18.6	0	0	0	108.6	E409 T410 A411	N407-E409 PolarHBondContact O-N 2.86Å; N407-E409 VanDerWaalsContact O-N 3.15Å; N407-E409 PolarHBondContact OD1-N 3.12Å; N407-T410 PolarHBondContact O-N 3.42Å; N407-T410 VanDerWaalsContact O-N 3.1Å; N407-T410 PolarHBondContact O-OG1 3.25Å; N407-A411 WeakPolarHBondContact O-CB 3.25Å; N407-A411 PolarHBondContact O-N 2.81Å
408	P	87.5	Confident	91.8	Very high	27 Å²	27	52.4 Å²	52.4	18%	0.175	29%	0.292	C	S	.	.	H	α-helix	trans	-58.8	-32.3	-174.7	23.1	-33.4	0	0	0	113.2	T410 V412 P413 T542 L543	P408-T410 PolarHBondContact O-N 3.18Å; P408-V412 HydrophobicContact CB-CG2 4.47Å; P408-V412 VanDerWaalsContact O-CB 3.32Å; P408-V412 WeakPolarHBondContact O-CB 3.25Å; P408-V412 PolarHBondContact O-N 3.14Å; P408-P413 WeakPolarHBondContact O-CD 3.34Å; P408-T542 HydrophobicContact CG-CG2 4.37Å; P408-L543 HydrophobicContact CB-CG 4.46Å
409	E	87.1	Confident	92	Very high	160 Å²	160	49.6 Å²	49.6	75%	0.748	28%	0.277	S	S	*	.	H	α-helix	trans	-69	-19.7	-177.8	-62	-174.3	163.9	0	0	113.5	N407 P413	N407-E409 PolarHBondContact O-N 2.86Å; N407-E409 VanDerWaalsContact O-N 3.15Å; N407-E409 PolarHBondContact OD1-N 3.12Å; E409-P413 WeakPolarHBondContact O-CG 2.97Å
410	T	91	Very high	92.1	Very high	84 Å²	84	48.3 Å²	48.3	52%	0.515	27%	0.27	S	S	.	.	H	α-helix	trans	-118.3	-42.7	-178.5	51.3	0	0	0	0	112	N407 P408 P413 N414	N407-T410 PolarHBondContact O-N 3.42Å; N407-T410 VanDerWaalsContact O-N 3.1Å; N407-T410 PolarHBondContact O-OG1 3.25Å; P408-T410 PolarHBondContact O-N 3.18Å; T410-P413 WeakPolarHBondContact O-CD 3.37Å; T410-N414 WeakPolarHBondContact O-CB 3.31Å; T410-N414 PolarHBondContact O-N 3.47Å; T410-N414 VanDerWaalsContact O-N 3.1Å
411	A	93.5	Very high	92	Very high	19 Å²	19	49.8 Å²	49.8	16%	0.157	28%	0.28	C	S	.	.	H	α-helix	trans	-66.8	-43.8	-178	0	0	0	0	0	111.8	V404 N407 N414 H415	V404-A411 HydrophobicContact CG1-CB 3.72Å; N407-A411 WeakPolarHBondContact O-CB 3.25Å; N407-A411 PolarHBondContact O-N 2.81Å; A411-N414 PolarHBondContact O-N 3.25Å; A411-H415 WeakPolarHBondContact O-CB 3.48Å; A411-H415 PolarHBondContact O-N 3.18Å
412	V	93.5	Very high	91.8	Very high	6 Å²	6	53.5 Å²	53.5	4%	0.036	30%	0.298	C	S	.	.	H	α-helix	trans	-66.8	-48.8	-178.6	174.9	0	0	0	0	111.8	V404 P408 N414 H415 L416 I510 L538 H540 L543	V404-V412 HydrophobicContact CB-CG2 4.36Å; V404-V412 HydrophobicContact CG1-CG2 4.14Å; P408-V412 HydrophobicContact CB-CG2 4.47Å; P408-V412 VanDerWaalsContact O-CB 3.32Å; P408-V412 WeakPolarHBondContact O-CB 3.25Å; P408-V412 PolarHBondContact O-N 3.14Å; V412-N414 PolarHBondContact O-N 2.84Å; V412-H415 PolarHBondContact O-N 3.49Å; V412-L416 VanDerWaalsContact O-CB 3.29Å; V412-L416 WeakPolarHBondContact O-CB 3.4Å; V412-L416 PolarHBondContact O-N 3.37Å; V412-I510 HydrophobicContact CG1-CG2 3.61Å; V412-L538 HydrophobicContact CG1-CD1 4.35Å; V412-H540 HydrophobicContact CG2-CB 4.18Å; V412-L543 HydrophobicContact CG2-CD1 4.35Å
413	P	94.6	Very high	91.4	Very high	12 Å²	12	51.6 Å²	51.6	8%	0.078	29%	0.289	C	S	.	.	H	α-helix	trans	-61.6	-39.6	175	-23.4	33.4	0	0	0	113.6	P408 E409 T410 L416 L417 I451 Y454	P408-P413 WeakPolarHBondContact O-CD 3.34Å; E409-P413 WeakPolarHBondContact O-CG 2.97Å; T410-P413 WeakPolarHBondContact O-CD 3.37Å; P413-L416 PolarHBondContact O-N 2.85Å; P413-L417 WeakPolarHBondContact O-CB 3.49Å; P413-L417 PolarHBondContact O-N 3.3Å; P413-I451 HydrophobicContact CB-CD1 4.07Å; P413-I451 HydrophobicContact CG-CD1 3.76Å; P413-Y454 VanDerWaalsContact C-CE1 3.5Å; P413-Y454 HydrophobicContact CB-CD1 3.43Å; P413-Y454 VanDerWaalsContact CB-CD1 3.43Å; P413-Y454 HydrophobicContact CB-CD2 4.13Å; P413-Y454 HydrophobicContact CB-CE1 3.54Å; P413-Y454 HydrophobicContact CB-CE2 4.22Å; P413-Y454 HydrophobicContact CB-CG 3.74Å; P413-Y454 WeakPolarHBondContact O-CE1 3.27Å
414	N	94.4	Very high	90.7	Very high	69 Å²	69	50.3 Å²	50.3	37%	0.369	28%	0.28	S	S	.	.	H	α-helix	trans	-68.2	-42.9	179.7	-168.5	24.6	0	0	0	111.9	T410 A411 V412 L416 L417 Q418	T410-N414 WeakPolarHBondContact O-CB 3.31Å; T410-N414 PolarHBondContact O-N 3.47Å; T410-N414 VanDerWaalsContact O-N 3.1Å; A411-N414 PolarHBondContact O-N 3.25Å; V412-N414 PolarHBondContact O-N 2.84Å; N414-L416 VanDerWaalsContact C-N 3.34Å; N414-L416 PolarHBondContact O-N 3.38Å; N414-L417 WeakPolarHBondContact O-CB 3.25Å; N414-L417 PolarHBondContact O-N 3.47Å; N414-Q418 WeakPolarHBondContact O-CG 3.41Å; N414-Q418 PolarHBondContact O-N 3.16Å
415	H	94.9	Very high	90	Very high	46 Å²	46	53.4 Å²	53.4	21%	0.213	30%	0.302	C	S	.	.	H	α-helix	trans	-62.9	-42.3	175.2	-168.9	81.6	0	0	0	111.7	Q402 V404 A411 V412 L417 Q418 L419	Q402-H415 PolarHBondContact OE1-NE2 2.57Å; V404-H415 HydrophobicContact CG1-CB 4.23Å; V404-H415 HydrophobicContact CG2-CB 4.14Å; A411-H415 WeakPolarHBondContact O-CB 3.48Å; A411-H415 PolarHBondContact O-N 3.18Å; V412-H415 PolarHBondContact O-N 3.49Å; H415-L417 VanDerWaalsContact C-N 3.33Å; H415-L417 PolarHBondContact O-N 2.8Å; H415-Q418 PolarHBondContact O-N 3.26Å; H415-L419 WeakPolarHBondContact O-CG 3.48Å; H415-L419 PolarHBondContact O-N 3.43Å
416	L	94.5	Very high	89.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-43.4	173.7	177.2	66.6	0	0	0	111.9	V412 P413 N414 L419 I420 V440 I451 L455 I508 I510 L538	V412-L416 VanDerWaalsContact O-CB 3.29Å; V412-L416 WeakPolarHBondContact O-CB 3.4Å; V412-L416 PolarHBondContact O-N 3.37Å; P413-L416 PolarHBondContact O-N 2.85Å; N414-L416 VanDerWaalsContact C-N 3.34Å; N414-L416 PolarHBondContact O-N 3.38Å; L416-L419 PolarHBondContact O-N 3.26Å; L416-I420 HydrophobicContact CD1-CD1 3.9Å; L416-I420 HydrophobicContact CD1-CG1 4.32Å; L416-I420 HydrophobicContact CG-CD1 3.81Å; L416-I420 WeakPolarHBondContact O-CD1 3.45Å; L416-I420 VanDerWaalsContact O-CG1 3.28Å; L416-I420 WeakPolarHBondContact O-CG1 3.11Å; L416-I420 PolarHBondContact O-N 3.37Å; L416-V440 HydrophobicContact CD1-CG1 4.29Å; L416-V440 HydrophobicContact CD1-CG2 4.11Å; L416-V440 HydrophobicContact CD2-CG1 4.05Å; L416-I451 HydrophobicContact CD2-CD1 4.45Å; L416-I451 HydrophobicContact CD2-CG2 3.46Å; L416-I451 VanDerWaalsContact CD2-CG2 3.46Å; L416-L455 HydrophobicContact CD2-CD1 4.01Å; L416-L455 HydrophobicContact CD2-CD2 4.47Å; L416-L455 HydrophobicContact CG-CD2 4.47Å; L416-I508 HydrophobicContact CD1-CB 4.31Å; L416-I508 HydrophobicContact CD1-CD1 3.75Å; L416-I508 HydrophobicContact CD1-CG2 3.79Å; L416-I510 HydrophobicContact CD2-CD1 3.85Å; L416-L538 HydrophobicContact CB-CD1 4.23Å; L416-L538 HydrophobicContact CD1-CD1 4.4Å
417	L	94.3	Very high	87.9	Confident	14 Å²	14	50.4 Å²	50.4	7%	0.073	27%	0.265	C	S	.	.	H	α-helix	trans	-59.6	-48	176.4	175	64	0	0	0	111.2	P413 N414 H415 L419 I420 L421 Y454 L455 N458 V460	P413-L417 WeakPolarHBondContact O-CB 3.49Å; P413-L417 PolarHBondContact O-N 3.3Å; N414-L417 WeakPolarHBondContact O-CB 3.25Å; N414-L417 PolarHBondContact O-N 3.47Å; H415-L417 VanDerWaalsContact C-N 3.33Å; H415-L417 PolarHBondContact O-N 2.8Å; L417-L419 PolarHBondContact O-N 3.45Å; L417-I420 PolarHBondContact O-N 2.86Å; L417-L421 HydrophobicContact CD1-CD1 4.15Å; L417-L421 HydrophobicContact CD1-CG 4.29Å; L417-L421 HydrophobicContact CG-CD1 4.12Å; L417-L421 VanDerWaalsContact O-CG 3.3Å; L417-L421 WeakPolarHBondContact O-CG 3.41Å; L417-L421 PolarHBondContact O-N 2.85Å; L417-Y454 HydrophobicContact CB-CE1 4.37Å; L417-Y454 HydrophobicContact CD2-CE1 4.32Å; L417-L455 HydrophobicContact CB-CD2 4.07Å; L417-L455 HydrophobicContact CD1-CD2 4.1Å; L417-N458 HydrophobicContact CD1-CB 4.01Å; L417-N458 HydrophobicContact CD2-CB 3.64Å; L417-N458 HydrophobicContact CG-CB 4.5Å; L417-V460 HydrophobicContact CD1-CG2 3.4Å; L417-V460 VanDerWaalsContact CD1-CG2 3.4Å
418	Q	93.1	Very high	86.4	Confident	96 Å²	96	52.8 Å²	52.8	45%	0.449	28%	0.277	S	S	.	.	H	α-helix	trans	-58.4	-48	177.5	-70.9	176.3	-9.9	0	0	111.6	N414 H415 I420 L421 E422	N414-Q418 WeakPolarHBondContact O-CG 3.41Å; N414-Q418 PolarHBondContact O-N 3.16Å; H415-Q418 PolarHBondContact O-N 3.26Å; Q418-I420 VanDerWaalsContact C-N 3.35Å; Q418-I420 PolarHBondContact O-N 3.37Å; Q418-L421 PolarHBondContact O-N 3.1Å; Q418-E422 WeakPolarHBondContact O-CG 3.27Å; Q418-E422 PolarHBondContact O-N 3.12Å
419	L	92.6	Very high	84.8	Confident	11 Å²	11	58.2 Å²	58.2	6%	0.058	31%	0.305	C	S	.	.	H	α-helix	trans	-58.8	-43.8	176.9	-74.3	174.4	0	0	0	112.9	H415 L416 L417 L421 E422 M423 I536 L538	H415-L419 WeakPolarHBondContact O-CG 3.48Å; H415-L419 PolarHBondContact O-N 3.43Å; L416-L419 PolarHBondContact O-N 3.26Å; L417-L419 PolarHBondContact O-N 3.45Å; L419-L421 VanDerWaalsContact C-N 3.33Å; L419-L421 PolarHBondContact O-N 3.49Å; L419-E422 PolarHBondContact O-N 2.97Å; L419-M423 WeakPolarHBondContact O-CB 3.32Å; L419-M423 VanDerWaalsContact O-CG 3.28Å; L419-M423 WeakPolarHBondContact O-CG 3.45Å; L419-M423 PolarHBondContact O-N 3.02Å; L419-I536 HydrophobicContact CD1-CG2 4.4Å; L419-L538 HydrophobicContact CD1-CD2 3.68Å
420	I	91.2	Very high	83.1	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.9	-41	178.8	-71.9	165.1	0	0	0	110.7	L416 L417 Q418 M423 N424 L455 V460 V488 I508	L416-I420 HydrophobicContact CD1-CD1 3.9Å; L416-I420 HydrophobicContact CD1-CG1 4.32Å; L416-I420 HydrophobicContact CG-CD1 3.81Å; L416-I420 WeakPolarHBondContact O-CD1 3.45Å; L416-I420 VanDerWaalsContact O-CG1 3.28Å; L416-I420 WeakPolarHBondContact O-CG1 3.11Å; L416-I420 PolarHBondContact O-N 3.37Å; L417-I420 PolarHBondContact O-N 2.86Å; Q418-I420 VanDerWaalsContact C-N 3.35Å; Q418-I420 PolarHBondContact O-N 3.37Å; I420-M423 PolarHBondContact O-N 3.5Å; I420-N424 WeakPolarHBondContact CG2-ND2 2.9Å; I420-N424 WeakPolarHBondContact O-CB 3.4Å; I420-N424 VanDerWaalsContact O-CG 3.24Å; I420-N424 PolarHBondContact O-N 3.43Å; I420-N424 PolarHBondContact O-ND2 3.02Å; I420-L455 HydrophobicContact CD1-CD1 3.71Å; I420-L455 HydrophobicContact CD1-CD2 3.93Å; I420-V460 HydrophobicContact CG2-CG1 4.02Å; I420-V460 HydrophobicContact CG2-CG2 4.36Å; I420-V488 HydrophobicContact CD1-CG1 4.08Å; I420-V488 HydrophobicContact CD1-CG2 4.12Å; I420-V488 HydrophobicContact CG1-CG2 4.44Å; I420-V488 HydrophobicContact CG2-CG2 3.79Å; I420-I508 HydrophobicContact CG1-CD1 4.36Å
421	L	89.4	Confident	81.1	Confident	97 Å²	97	56.1 Å²	56.1	51%	0.508	30%	0.299	S	S	.	.	H	α-helix	trans	-65.2	-43	177.8	-68.3	172.9	0	0	0	111.6	L417 Q418 L419 N424 S425	L417-L421 HydrophobicContact CD1-CD1 4.15Å; L417-L421 HydrophobicContact CD1-CG 4.29Å; L417-L421 HydrophobicContact CG-CD1 4.12Å; L417-L421 VanDerWaalsContact O-CG 3.3Å; L417-L421 WeakPolarHBondContact O-CG 3.41Å; L417-L421 PolarHBondContact O-N 2.85Å; Q418-L421 PolarHBondContact O-N 3.1Å; L419-L421 VanDerWaalsContact C-N 3.33Å; L419-L421 PolarHBondContact O-N 3.49Å; L421-N424 PolarHBondContact O-N 3.46Å; L421-S425 PolarHBondContact O-N 2.84Å; L421-S425 VanDerWaalsContact O-N 3.08Å
422	E	88.1	Confident	79.1	Confident	98 Å²	98	58.9 Å²	58.9	46%	0.458	33%	0.33	S	S	.	.	H	α-helix	trans	-63.6	-39.8	174.8	-71.7	177.5	-170.2	0	0	113	Q418 L419 N424 S425 K426	Q418-E422 WeakPolarHBondContact O-CG 3.27Å; Q418-E422 PolarHBondContact O-N 3.12Å; L419-E422 PolarHBondContact O-N 2.97Å; E422-N424 VanDerWaalsContact C-N 3.35Å; E422-S425 PolarHBondContact O-N 2.9Å; E422-S425 PolarHBondContact O-OG 3.49Å; E422-K426 WeakPolarHBondContact O-CG 3.49Å; E422-K426 PolarHBondContact O-N 3.24Å
423	M	84.7	Confident	77.2	Confident	6 Å²	6	62.1 Å²	62.1	3%	0.03	35%	0.345	C	S	.	.	H	α-helix	trans	-66.8	-38.7	175.9	-74.6	177.8	173.7	0	0	111.8	L419 I420 S425 K426 S427 V438 F505 A506 I508 I536	L419-M423 WeakPolarHBondContact O-CB 3.32Å; L419-M423 VanDerWaalsContact O-CG 3.28Å; L419-M423 WeakPolarHBondContact O-CG 3.45Å; L419-M423 PolarHBondContact O-N 3.02Å; I420-M423 PolarHBondContact O-N 3.5Å; M423-S425 VanDerWaalsContact C-N 3.34Å; M423-K426 PolarHBondContact O-N 3.34Å; M423-S427 WeakPolarHBondContact O-CB 3.35Å; M423-S427 PolarHBondContact O-N 2.94Å; M423-V438 HydrophobicContact SD-CG2 4.07Å; M423-F505 HydrophobicContact CG-CE1 4.48Å; M423-A506 HydrophobicContact CE-CB 3.69Å; M423-A506 HydrophobicContact SD-CB 3.65Å; M423-I508 HydrophobicContact CE-CD1 4.36Å; M423-I508 HydrophobicContact SD-CD1 4.26Å; M423-I536 HydrophobicContact CE-CD1 3.23Å; M423-I536 HydrophobicContact CE-CG1 4.15Å
424	N	79.3	Confident	75.4	Confident	38 Å²	38	66.1 Å²	66.1	20%	0.203	37%	0.373	C	S	.	.	H	α-helix	trans	-65.6	-38.2	177.5	-73.6	-44.2	0	0	0	111.4	I420 L421 E422 S427 N487	I420-N424 WeakPolarHBondContact CG2-ND2 2.9Å; I420-N424 WeakPolarHBondContact O-CB 3.4Å; I420-N424 VanDerWaalsContact O-CG 3.24Å; I420-N424 PolarHBondContact O-N 3.43Å; I420-N424 PolarHBondContact O-ND2 3.02Å; L421-N424 PolarHBondContact O-N 3.46Å; E422-N424 VanDerWaalsContact C-N 3.35Å; N424-S427 PolarHBondContact O-OG 2.82Å; N424-N487 PolarHBondContact ND2-ND2 3.22Å; N424-N487 VanDerWaalsContact ND2-ND2 3.18Å; N424-N487 PolarHBondContact OD1-ND2 3.35Å
425	S	77.8	Confident	74	Confident	74 Å²	74	64.7 Å²	64.7	52%	0.517	37%	0.367	S	S	.	.	H	α-helix	trans	-67	-48	175.1	61.6	0	0	0	0	111.9	L421 E422 M423 S427 L428	L421-S425 PolarHBondContact O-N 2.84Å; L421-S425 VanDerWaalsContact O-N 3.08Å; E422-S425 PolarHBondContact O-N 2.9Å; E422-S425 PolarHBondContact O-OG 3.49Å; M423-S425 VanDerWaalsContact C-N 3.34Å; S425-S427 VanDerWaalsContact C-N 3.27Å; S425-S427 PolarHBondContact O-N 3.4Å; S425-L428 PolarHBondContact O-N 3.48Å
426	K	71.5	Confident	73.3	Confident	107 Å²	107	62.8 Å²	62.8	47%	0.465	36%	0.358	S	S	.	.	H	α-helix	trans	-58.8	-35.6	177.3	-73.3	175.9	-178.2	172.9	0	113.5	E422 M423 L428 D429 L430	E422-K426 WeakPolarHBondContact O-CG 3.49Å; E422-K426 PolarHBondContact O-N 3.24Å; M423-K426 PolarHBondContact O-N 3.34Å; K426-L428 VanDerWaalsContact C-N 3.26Å; K426-L428 PolarHBondContact O-N 3.18Å; K426-D429 PolarHBondContact O-N 2.66Å; K426-L430 PolarHBondContact O-N 3.1Å
427	S	63.4	Low	72.9	Confident	8 Å²	8	64.6 Å²	64.6	6%	0.056	37%	0.365	C	S	.	.	H	α-helix	trans	-65.8	-28.5	-177	72.4	0	0	0	0	113.9	M423 N424 S425 D429 C436	M423-S427 WeakPolarHBondContact O-CB 3.35Å; M423-S427 PolarHBondContact O-N 2.94Å; N424-S427 PolarHBondContact O-OG 2.82Å; S425-S427 VanDerWaalsContact C-N 3.27Å; S425-S427 PolarHBondContact O-N 3.4Å; S427-D429 PolarHBondContact O-N 3.36Å; S427-C436 WeakPolarHBondContact OG-CB 3.17Å
428	L	57.9	Low	72.8	Confident	137 Å²	137	63.9 Å²	63.9	72%	0.717	36%	0.362	S	S	*	.	H	α-helix	trans	-65.1	-31.5	177.5	-128.3	81.3	0	0	0	111.4	S425 K426	S425-L428 PolarHBondContact O-N 3.48Å; K426-L428 VanDerWaalsContact C-N 3.26Å; K426-L428 PolarHBondContact O-N 3.18Å
429	D	53.1	Low	72.8	Confident	140 Å²	140	59.5 Å²	59.5	75%	0.749	34%	0.341	S	S	*	.	H	α-helix	trans	-90.1	-32.6	-173.4	-65.2	-24.5	0	0	0	113.3	K426 S427	K426-D429 PolarHBondContact O-N 2.66Å; S427-D429 PolarHBondContact O-N 3.36Å
430	L	52.6	Low	72.9	Confident	131 Å²	131	59 Å²	59	69%	0.686	34%	0.338	S	S	*	.	H	α-helix	trans	-100.2	-35.1	-165.1	-74.4	163	0	0	0	115.5	K426	K426-L430 PolarHBondContact O-N 3.1Å
431	C	49.4	Very low	73.1	Confident	69 Å²	69	59.1 Å²	59.1	47%	0.466	34%	0.339	S	S	.	.	S	Bend	trans	-112.9	-12.1	-163.1	-70.2	0	0	0	0	115.2	E433	C431-E433 HydrophobicContact CB-CB 4.38Å; C431-E433 PolarHBondContact O-N 2.98Å
432	G	50	Low	73.3	Confident	78 Å²	78	54.5 Å²	54.5	80%	0.804	32%	0.315	S	S	*	.			trans	58.8	-3.6	-171.4	0	0	0	0	0	114.8
433	E	53.7	Low	73.4	Confident	74 Å²	74	51.3 Å²	51.3	35%	0.346	30%	0.301	S	S	.	.			trans	-82.4	120.5	173.4	-76.5	-169.4	167.8	0	0	108.7	C431 V435 N503 K531	C431-E433 HydrophobicContact CB-CB 4.38Å; C431-E433 PolarHBondContact O-N 2.98Å; E433-V435 PolarHBondContact O-N 3.1Å; E433-N503 PolarHBondContact OE1-ND2 3.39Å; E433-K531 IonicContact OE1-NZ 2.74Å
434	S	56.9	Low	73.6	Confident	95 Å²	95	54.5 Å²	54.5	66%	0.664	32%	0.321	S	S	*	.	S	Bend	trans	-61.3	-5.9	-174.5	-3.4	0	0	0	0	116
435	V	66.4	Low	74.2	Confident	39 Å²	39	56.8 Å²	56.8	24%	0.236	33%	0.329	C	S	.	.			trans	-147.8	113.6	-174.7	-169.7	0	0	0	0	112.3	E433 R437 N487	E433-V435 PolarHBondContact O-N 3.1Å; V435-R437 PolarHBondContact O-N 3.03Å; V435-N487 HydrophobicContact CG1-CB 3.88Å
436	C	79.1	Confident	74.9	Confident	6 Å²	6	63.1 Å²	63.1	4%	0.041	34%	0.342	C	S	.	.			trans	-73.1	114	167.1	-169.5	0	0	0	0	110.8	S427 N487 F505	S427-C436 WeakPolarHBondContact OG-CB 3.17Å; C436-N487 WeakPolarHBondContact O-CB 3.45Å; C436-F505 WeakPolarHBondContact SG-CD1 3.41Å
437	R	87.4	Confident	75.9	Confident	38 Å²	38	59.5 Å²	59.5	14%	0.143	33%	0.326	C	S	.	.			trans	-94.7	118.8	177	-65.7	-174.6	-169.2	119.5	6.3	110.6	V435 F481 R482 N487 P502 F505	V435-R437 PolarHBondContact O-N 3.03Å; R437-F481 HydrophobicContact CB-CE1 4.39Å; R437-F481 HydrophobicContact CB-CE2 4.08Å; R437-F481 HydrophobicContact CB-CZ 3.74Å; R437-F481 HydrophobicContact CG-CE2 4.47Å; R437-F481 HydrophobicContact CG-CZ 4.42Å; R437-F481 PolarHBondContact NE-O 2.93Å; R437-R482 PolarHBondContact NH2-O 3.2Å; R437-N487 WeakPolarHBondContact CA-O 3.32Å; R437-P502 PolarHBondContact NH1-O 2.8Å; R437-F505 PolarHBondContact O-N 3.17Å
438	V	91.8	Very high	77.4	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.5	-180	-176.3	0	0	0	0	110.3	M423 V440 F481 N487 V488 L489 A506 I508	M423-V438 HydrophobicContact SD-CG2 4.07Å; V438-V440 HydrophobicContact CG1-CG2 4.22Å; V438-F481 WeakPolarHBondContact O-CE2 3.15Å; V438-F481 WeakPolarHBondContact O-CZ 3.4Å; V438-N487 PolarHBondContact N-O 3.45Å; V438-V488 HydrophobicContact CB-CG2 4.4Å; V438-V488 WeakPolarHBondContact O-CA 3.37Å; V438-L489 PolarHBondContact O-N 3.36Å; V438-A506 WeakPolarHBondContact CA-O 3.11Å; V438-A506 HydrophobicContact CG1-CB 4.44Å; V438-A506 HydrophobicContact CG2-CB 4.46Å; V438-I508 HydrophobicContact CG1-CD1 3.66Å; V438-I508 HydrophobicContact CG1-CG1 3.92Å
439	L	92.6	Very high	79.2	Confident	3 Å²	3	55 Å²	55	2%	0.016	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.1	175	-179.6	61.4	0	0	0	109.8	F441 L489 A491 V504 A506 V507 I508 R525	L439-F441 HydrophobicContact CD2-CD2 4.43Å; L439-F441 HydrophobicContact CD2-CE2 3.5Å; L439-F441 VanDerWaalsContact CD2-CE2 3.5Å; L439-F441 HydrophobicContact CD2-CZ 3.75Å; L439-F441 HydrophobicContact CG-CD2 4.26Å; L439-F441 HydrophobicContact CG-CE2 3.79Å; L439-F441 HydrophobicContact CG-CZ 4.24Å; L439-L489 HydrophobicContact CD1-CB 4Å; L439-L489 HydrophobicContact CD1-CD2 3.83Å; L439-L489 HydrophobicContact CD1-CG 3.86Å; L439-L489 WeakPolarHBondContact CD1-O 3.44Å; L439-A491 HydrophobicContact CD1-CB 4.16Å; L439-V504 HydrophobicContact CB-CG1 3.84Å; L439-A506 PolarHBondContact N-O 3.29Å; L439-V507 HydrophobicContact CB-CG2 4.48Å; L439-V507 CarbonylContact O-C 3.31Å; L439-V507 WeakPolarHBondContact O-CA 3.32Å; L439-I508 PolarHBondContact O-N 3.06Å; L439-R525 HydrophobicContact CD2-CB 3.64Å; L439-R525 HydrophobicContact CD2-CG 3.72Å
440	V	95.2	Very high	81.1	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	128	179.5	-175.8	0	0	0	0	109.4	L416 V438 V488 L489 I490 A491 I508 I510	L416-V440 HydrophobicContact CD1-CG1 4.29Å; L416-V440 HydrophobicContact CD1-CG2 4.11Å; L416-V440 HydrophobicContact CD2-CG1 4.05Å; V438-V440 HydrophobicContact CG1-CG2 4.22Å; V440-V488 HydrophobicContact CG2-CG1 3.75Å; V440-L489 PolarHBondContact N-O 3.22Å; V440-I490 HydrophobicContact CB-CG1 4.27Å; V440-I490 HydrophobicContact CB-CG2 4.48Å; V440-I490 HydrophobicContact CG1-CG2 4.47Å; V440-I490 CarbonylContact O-C 3.49Å; V440-I490 WeakPolarHBondContact O-CA 3.37Å; V440-A491 PolarHBondContact O-N 3.49Å; V440-I508 CarbonylContact C-O 3.53Å; V440-I508 VanDerWaalsContact CA-O 3.3Å; V440-I508 WeakPolarHBondContact CA-O 3.28Å; V440-I508 HydrophobicContact CG2-CB 4.36Å; V440-I510 HydrophobicContact CG1-CD1 3.76Å; V440-I510 HydrophobicContact CG1-CG1 3.87Å
441	F	95.1	Very high	83.2	Confident	3 Å²	3	48.7 Å²	48.7	1%	0.013	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.7	177.1	-82.8	-75.2	0	0	0	112	L439 A491 A496 V507 I508 I510 R522 R525	L439-F441 HydrophobicContact CD2-CD2 4.43Å; L439-F441 HydrophobicContact CD2-CE2 3.5Å; L439-F441 VanDerWaalsContact CD2-CE2 3.5Å; L439-F441 HydrophobicContact CD2-CZ 3.75Å; L439-F441 HydrophobicContact CG-CD2 4.26Å; L439-F441 HydrophobicContact CG-CE2 3.79Å; L439-F441 HydrophobicContact CG-CZ 4.24Å; F441-A491 WeakPolarHBondContact CA-O 3.46Å; F441-A491 HydrophobicContact CE1-CB 4.41Å; F441-A496 HydrophobicContact CD1-CB 4.38Å; F441-A496 HydrophobicContact CE1-CB 3.21Å; F441-A496 HydrophobicContact CZ-CB 3.45Å; F441-A496 VanDerWaalsContact CZ-CB 3.45Å; F441-V507 HydrophobicContact CD2-CG1 3.76Å; F441-V507 HydrophobicContact CE2-CG1 3.98Å; F441-I508 PolarHBondContact N-O 3.4Å; F441-I510 WeakPolarHBondContact O-CB 3.01Å; F441-I510 PolarHBondContact O-N 2.88Å; F441-R522 HydrophobicContact CB-CG 4.34Å; F441-R522 HydrophobicContact CD1-CG 3.78Å; F441-R522 HydrophobicContact CD2-CB 3.71Å; F441-R522 HydrophobicContact CD2-CG 3.63Å; F441-R522 HydrophobicContact CE1-CG 3.83Å; F441-R522 HydrophobicContact CE2-CB 3.68Å; F441-R522 HydrophobicContact CE2-CG 3.72Å; F441-R522 HydrophobicContact CG-CB 4.24Å; F441-R522 HydrophobicContact CG-CG 3.65Å; F441-R522 HydrophobicContact CZ-CB 4.19Å; F441-R522 HydrophobicContact CZ-CG 3.82Å; F441-R525 HydrophobicContact CE2-CG 4.06Å; F441-R525 HydrophobicContact CZ-CG 4.08Å
442	C	93.8	Very high	85.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	157	171.8	-60.9	0	0	0	0	109.8	E447 V448 I490 A491	C442-E447 HydrophobicContact CB-CB 4.07Å; C442-E447 HydrophobicContact CB-CG 3.78Å; C442-E447 WeakPolarHBondContact CB-OE2 3.25Å; C442-V448 HydrophobicContact CB-CG2 3.65Å; C442-I490 VanDerWaalsContact SG-CG2 3.57Å; C442-A491 PolarHBondContact N-O 3.48Å
443	N	89.6	Confident	87.6	Confident	31 Å²	31	47.9 Å²	47.9	17%	0.166	24%	0.238	C	C	.	.	S	Bend	trans	-84.5	-35.1	-179.5	-74.4	-40	0	0	0	111.9	E447 L512 R522 Q547	N443-E447 PolarHBondContact N-OE2 2.84Å; N443-L512 PolarHBondContact ND2-O 3.45Å; N443-L512 PolarHBondContact OD1-O 3.05Å; N443-R522 PolarHBondContact OD1-NH2 2.96Å; N443-Q547 PolarHBondContact ND2-NE2 3.46Å
444	T	89.8	Confident	89.6	Confident	73 Å²	73	47.7 Å²	47.7	45%	0.448	23%	0.234	S	C	.	.	S	Bend	trans	-114.8	155.8	-178.1	79.8	0	0	0	0	112.5	R446 E447 V448	T444-R446 VanDerWaalsContact C-N 3.29Å; T444-R446 PolarHBondContact O-N 3.45Å; T444-E447 PolarHBondContact N-OE2 2.78Å; T444-E447 PolarHBondContact O-N 3.47Å; T444-E447 VanDerWaalsContact OG1-CB 3.24Å; T444-E447 WeakPolarHBondContact OG1-CB 3.33Å; T444-E447 PolarHBondContact OG1-N 2.75Å; T444-E447 VanDerWaalsContact OG1-N 3.14Å; T444-V448 WeakPolarHBondContact O-CG2 3.29Å; T444-V448 PolarHBondContact O-N 3.31Å
445	K	91.2	Very high	91.4	Very high	86 Å²	86	43.2 Å²	43.2	37%	0.374	20%	0.203	S	C	.	.	H	α-helix	trans	-66.6	-32.6	177	-51.1	179.2	-170.9	167.5	0	112.2	V448 D449 H466 D468	K445-V448 WeakPolarHBondContact O-CB 3.48Å; K445-V448 PolarHBondContact O-N 2.7Å; K445-D449 PolarHBondContact O-N 2.81Å; K445-H466 HydrophobicContact CB-CB 4.1Å; K445-H466 HydrophobicContact CG-CB 4.06Å; K445-D468 HydrophobicContact CD-CB 4.46Å; K445-D468 WeakPolarHBondContact CD-OD2 3.44Å; K445-D468 IonicContact NZ-OD1 3.64Å; K445-D468 PolarHBondContact NZ-OD1 3.28Å; K445-D468 IonicContact NZ-OD2 3.4Å; K445-D468 PolarHBondContact NZ-OD2 2.95Å
446	R	91.9	Very high	92.7	Very high	208 Å²	208	49.1 Å²	49.1	79%	0.785	22%	0.222	S	C	*	.	H	α-helix	trans	-67.3	-44.6	178.1	-67.4	-178.2	-179.5	170.7	-0.4	111.1	T444 V448 D449 Q450	T444-R446 VanDerWaalsContact C-N 3.29Å; T444-R446 PolarHBondContact O-N 3.45Å; R446-V448 VanDerWaalsContact C-N 3.31Å; R446-V448 PolarHBondContact O-N 2.98Å; R446-D449 PolarHBondContact O-N 2.94Å; R446-Q450 WeakPolarHBondContact O-CG 3.38Å; R446-Q450 PolarHBondContact O-N 2.7Å
447	E	93	Very high	93.4	Very high	30 Å²	30	53.1 Å²	53.1	14%	0.14	25%	0.25	C	S	.	.	H	α-helix	trans	-59.5	-41.7	175.3	-174.2	-172.2	-173.5	0	0	111.4	C442 N443 T444 D449 Q450 I451 I510	C442-E447 HydrophobicContact CB-CB 4.07Å; C442-E447 HydrophobicContact CB-CG 3.78Å; C442-E447 WeakPolarHBondContact CB-OE2 3.25Å; N443-E447 PolarHBondContact N-OE2 2.84Å; T444-E447 PolarHBondContact N-OE2 2.78Å; T444-E447 PolarHBondContact O-N 3.47Å; T444-E447 VanDerWaalsContact OG1-CB 3.24Å; T444-E447 WeakPolarHBondContact OG1-CB 3.33Å; T444-E447 PolarHBondContact OG1-N 2.75Å; T444-E447 VanDerWaalsContact OG1-N 3.14Å; E447-D449 VanDerWaalsContact C-N 3.34Å; E447-D449 PolarHBondContact O-N 2.73Å; E447-Q450 PolarHBondContact O-N 2.77Å; E447-I451 HydrophobicContact CG-CG1 4.33Å; E447-I451 WeakPolarHBondContact O-CB 3.37Å; E447-I451 VanDerWaalsContact O-CG1 3.28Å; E447-I451 WeakPolarHBondContact O-CG1 3.34Å; E447-I451 PolarHBondContact O-N 2.72Å; E447-I510 WeakPolarHBondContact OE1-CG2 3.35Å
448	V	94.8	Very high	93.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-54.3	-49.7	174.8	169.9	0	0	0	0	111.6	C442 T444 K445 R446 D452 H466 I490	C442-V448 HydrophobicContact CB-CG2 3.65Å; T444-V448 WeakPolarHBondContact O-CG2 3.29Å; T444-V448 PolarHBondContact O-N 3.31Å; K445-V448 WeakPolarHBondContact O-CB 3.48Å; K445-V448 PolarHBondContact O-N 2.7Å; R446-V448 VanDerWaalsContact C-N 3.31Å; R446-V448 PolarHBondContact O-N 2.98Å; V448-D452 WeakPolarHBondContact O-CB 3.47Å; V448-D452 PolarHBondContact O-N 2.84Å; V448-H466 HydrophobicContact CG1-CB 4.5Å; V448-I490 HydrophobicContact CB-CG2 4.16Å; V448-I490 HydrophobicContact CG1-CB 4.23Å; V448-I490 HydrophobicContact CG1-CG2 3.89Å; V448-I490 HydrophobicContact CG2-CG2 4.21Å
449	D	95	Very high	93.7	Very high	51 Å²	51	58.3 Å²	58.3	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-71.2	-36.5	-178.6	-72.1	-36.7	0	0	0	111.9	K445 R446 E447 N453 H466 K469	K445-D449 PolarHBondContact O-N 2.81Å; R446-D449 PolarHBondContact O-N 2.94Å; E447-D449 VanDerWaalsContact C-N 3.34Å; E447-D449 PolarHBondContact O-N 2.73Å; D449-N453 WeakPolarHBondContact O-CB 3.43Å; D449-N453 PolarHBondContact O-N 2.93Å; D449-N453 PolarHBondContact O-ND2 3.44Å; D449-N453 VanDerWaalsContact O-ND2 3.08Å; D449-H466 IonicContact OD1-CD2 2.75Å; D449-H466 IonicContact OD1-CE1 2.64Å; D449-H466 IonicContact OD1-NE2 3.25Å; D449-H466 PolarHBondContact OD1-NE2 3.05Å; D449-H466 IonicContact OD2-CE1 3.33Å; D449-H466 PolarHBondContact OD2-CE1 3.15Å; D449-H466 IonicContact OD2-NE2 3.37Å; D449-H466 PolarHBondContact OD2-NE2 3.24Å; D449-K469 IonicContact OD1-NZ 3.62Å; D449-K469 PolarHBondContact OD1-NZ 3.38Å
450	Q	95	Very high	93.7	Very high	130 Å²	130	58.6 Å²	58.6	61%	0.607	30%	0.298	S	S	*	.	H	α-helix	trans	-62.3	-48	176.2	-74.8	170.9	-35.4	0	0	111.8	R446 E447 N453 Y454	R446-Q450 WeakPolarHBondContact O-CG 3.38Å; R446-Q450 PolarHBondContact O-N 2.7Å; E447-Q450 PolarHBondContact O-N 2.77Å; Q450-N453 PolarHBondContact O-N 3.13Å; Q450-Y454 WeakPolarHBondContact O-CB 3.46Å; Q450-Y454 PolarHBondContact O-N 3.37Å
451	I	96.1	Very high	93.5	Very high	9 Å²	9	64.2 Å²	64.2	5%	0.046	32%	0.319	C	S	.	.	H	α-helix	trans	-66.7	-42.6	179.1	-64.6	-68.7	0	0	0	110.8	P413 L416 E447 N453 Y454 L455 I490 I510	P413-I451 HydrophobicContact CB-CD1 4.07Å; P413-I451 HydrophobicContact CG-CD1 3.76Å; L416-I451 HydrophobicContact CD2-CD1 4.45Å; L416-I451 HydrophobicContact CD2-CG2 3.46Å; L416-I451 VanDerWaalsContact CD2-CG2 3.46Å; E447-I451 HydrophobicContact CG-CG1 4.33Å; E447-I451 WeakPolarHBondContact O-CB 3.37Å; E447-I451 VanDerWaalsContact O-CG1 3.28Å; E447-I451 WeakPolarHBondContact O-CG1 3.34Å; E447-I451 PolarHBondContact O-N 2.72Å; I451-N453 PolarHBondContact O-N 3.19Å; I451-Y454 PolarHBondContact O-N 2.86Å; I451-L455 HydrophobicContact CG2-CD1 3.89Å; I451-L455 HydrophobicContact CG2-CG 4.23Å; I451-L455 WeakPolarHBondContact O-CB 3.29Å; I451-L455 WeakPolarHBondContact O-CG 3.4Å; I451-L455 PolarHBondContact O-N 2.76Å; I451-I490 HydrophobicContact CB-CG2 4.41Å; I451-I490 HydrophobicContact CG2-CG1 4Å; I451-I490 HydrophobicContact CG2-CG2 4.36Å; I451-I510 HydrophobicContact CD1-CD1 3.82Å; I451-I510 HydrophobicContact CG1-CD1 3.8Å; I451-I510 HydrophobicContact CG2-CD1 4.24Å
452	D	95.9	Very high	93.4	Very high	19 Å²	19	64.6 Å²	64.6	10%	0.102	32%	0.322	C	S	.	.	H	α-helix	trans	-60.2	-46.7	176.8	-171	31.2	0	0	0	111.4	V448 Y454 L455 Y456 S462 T463 S464 I490	V448-D452 WeakPolarHBondContact O-CB 3.47Å; V448-D452 PolarHBondContact O-N 2.84Å; D452-Y454 VanDerWaalsContact C-N 3.35Å; D452-Y454 PolarHBondContact O-N 2.86Å; D452-L455 PolarHBondContact O-N 2.9Å; D452-Y456 WeakPolarHBondContact O-CB 3.29Å; D452-Y456 PolarHBondContact O-N 2.73Å; D452-S462 PolarHBondContact O-OG 3.13Å; D452-S462 WeakPolarHBondContact OD1-CB 3.33Å; D452-S462 PolarHBondContact OD1-OG 2.96Å; D452-T463 WeakPolarHBondContact OD1-CA 3.22Å; D452-T463 PolarHBondContact OD1-N 2.92Å; D452-S464 WeakPolarHBondContact OD2-CB 3.34Å; D452-S464 PolarHBondContact OD2-N 3.17Å; D452-S464 PolarHBondContact OD2-OG 2.84Å; D452-I490 HydrophobicContact CB-CD1 3.92Å; D452-I490 HydrophobicContact CB-CG1 4.41Å
453	N	95.6	Very high	93.4	Very high	110 Å²	110	65.2 Å²	65.2	59%	0.588	33%	0.326	S	S	*	.	H	α-helix	trans	-62.3	-40.8	177.3	-71.8	-29.1	0	0	0	112.4	D449 Q450 I451 S457	D449-N453 WeakPolarHBondContact O-CB 3.43Å; D449-N453 PolarHBondContact O-N 2.93Å; D449-N453 PolarHBondContact O-ND2 3.44Å; D449-N453 VanDerWaalsContact O-ND2 3.08Å; Q450-N453 PolarHBondContact O-N 3.13Å; I451-N453 PolarHBondContact O-N 3.19Å; N453-S457 WeakPolarHBondContact O-CB 3.5Å; N453-S457 PolarHBondContact O-N 2.77Å; N453-S457 PolarHBondContact O-OG 3.33Å
454	Y	96.2	Very high	93.7	Very high	71 Å²	71	63.9 Å²	63.9	28%	0.278	32%	0.32	S	S	.	.	H	α-helix	trans	-66.5	-45.2	178.5	-176.6	-89.3	0	0	0	112.2	P413 L417 Q450 I451 D452 S457 N458	P413-Y454 VanDerWaalsContact C-CE1 3.5Å; P413-Y454 HydrophobicContact CB-CD1 3.43Å; P413-Y454 VanDerWaalsContact CB-CD1 3.43Å; P413-Y454 HydrophobicContact CB-CD2 4.13Å; P413-Y454 HydrophobicContact CB-CE1 3.54Å; P413-Y454 HydrophobicContact CB-CE2 4.22Å; P413-Y454 HydrophobicContact CB-CG 3.74Å; P413-Y454 WeakPolarHBondContact O-CE1 3.27Å; L417-Y454 HydrophobicContact CB-CE1 4.37Å; L417-Y454 HydrophobicContact CD2-CE1 4.32Å; Q450-Y454 WeakPolarHBondContact O-CB 3.46Å; Q450-Y454 PolarHBondContact O-N 3.37Å; I451-Y454 PolarHBondContact O-N 2.86Å; D452-Y454 VanDerWaalsContact C-N 3.35Å; D452-Y454 PolarHBondContact O-N 2.86Å; Y454-S457 PolarHBondContact O-OG 3.2Å; Y454-N458 PolarHBondContact O-N 3.1Å; Y454-N458 PolarHBondContact O-ND2 2.87Å
455	L	95	Very high	93.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.9	-43.2	177.8	-70.8	179.9	0	0	0	111	L416 L417 I420 I451 D452 S457 N458 G459 V460 V488 I490	L416-L455 HydrophobicContact CD2-CD1 4.01Å; L416-L455 HydrophobicContact CD2-CD2 4.47Å; L416-L455 HydrophobicContact CG-CD2 4.47Å; L417-L455 HydrophobicContact CB-CD2 4.07Å; L417-L455 HydrophobicContact CD1-CD2 4.1Å; I420-L455 HydrophobicContact CD1-CD1 3.71Å; I420-L455 HydrophobicContact CD1-CD2 3.93Å; I451-L455 HydrophobicContact CG2-CD1 3.89Å; I451-L455 HydrophobicContact CG2-CG 4.23Å; I451-L455 WeakPolarHBondContact O-CB 3.29Å; I451-L455 WeakPolarHBondContact O-CG 3.4Å; I451-L455 PolarHBondContact O-N 2.76Å; D452-L455 PolarHBondContact O-N 2.9Å; L455-S457 PolarHBondContact O-N 2.92Å; L455-N458 CarbonylContact O-C 3.39Å; L455-N458 PolarHBondContact O-N 3.21Å; L455-G459 PolarHBondContact O-N 2.85Å; L455-V460 HydrophobicContact CB-CB 4.06Å; L455-V460 HydrophobicContact CB-CG1 4.36Å; L455-V460 HydrophobicContact CD2-CG2 4.4Å; L455-V460 WeakPolarHBondContact O-CB 3.31Å; L455-V460 PolarHBondContact O-N 3.02Å; L455-V488 HydrophobicContact CD1-CG1 4.16Å; L455-I490 HydrophobicContact CD1-CD1 4.24Å; L455-I490 HydrophobicContact CD1-CG1 4.41Å
456	Y	93.5	Very high	93.7	Very high	163 Å²	163	56.7 Å²	56.7	64%	0.639	28%	0.282	S	S	*	.	H	α-helix	trans	-62.8	-42	178.6	-167.3	-89.3	0	0	0	112.4	D452 N458 G459	D452-Y456 WeakPolarHBondContact O-CB 3.29Å; D452-Y456 PolarHBondContact O-N 2.73Å; Y456-N458 PolarHBondContact O-N 3.45Å; Y456-G459 PolarHBondContact O-N 3.26Å; Y456-G459 VanDerWaalsContact O-N 3.13Å
457	S	94.1	Very high	93.1	Very high	91 Å²	91	48.9 Å²	48.9	64%	0.636	27%	0.267	S	S	*	.	H	α-helix	trans	-67.3	-25.1	177.6	65.9	0	0	0	0	113.3	N453 Y454 L455 G459	N453-S457 WeakPolarHBondContact O-CB 3.5Å; N453-S457 PolarHBondContact O-N 2.77Å; N453-S457 PolarHBondContact O-OG 3.33Å; Y454-S457 PolarHBondContact O-OG 3.2Å; L455-S457 PolarHBondContact O-N 2.92Å; S457-G459 VanDerWaalsContact C-N 3.32Å
458	N	94	Very high	92.8	Very high	81 Å²	81	52.8 Å²	52.8	43%	0.433	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	14.7	174.4	-73.1	-81.5	0	0	0	113.4	L417 Y454 L455 Y456	L417-N458 HydrophobicContact CD1-CB 4.01Å; L417-N458 HydrophobicContact CD2-CB 3.64Å; L417-N458 HydrophobicContact CG-CB 4.5Å; Y454-N458 PolarHBondContact O-N 3.1Å; Y454-N458 PolarHBondContact O-ND2 2.87Å; L455-N458 CarbonylContact O-C 3.39Å; L455-N458 PolarHBondContact O-N 3.21Å; Y456-N458 PolarHBondContact O-N 3.45Å
459	G	91	Very high	92.3	Very high	66 Å²	66	54.7 Å²	54.7	68%	0.68	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	6.6	171.8	0	0	0	0	0	115.6	L455 Y456 S457	L455-G459 PolarHBondContact O-N 2.85Å; Y456-G459 PolarHBondContact O-N 3.26Å; Y456-G459 VanDerWaalsContact O-N 3.13Å; S457-G459 VanDerWaalsContact C-N 3.32Å
460	V	91.1	Very high	91.7	Very high	9 Å²	9	57.2 Å²	57.2	6%	0.055	31%	0.31	C	S	.	.			trans	-78.7	134.8	172.8	177.8	0	0	0	0	109.4	L417 I420 L455 S462 V488	L417-V460 HydrophobicContact CD1-CG2 3.4Å; L417-V460 VanDerWaalsContact CD1-CG2 3.4Å; I420-V460 HydrophobicContact CG2-CG1 4.02Å; I420-V460 HydrophobicContact CG2-CG2 4.36Å; L455-V460 HydrophobicContact CB-CB 4.06Å; L455-V460 HydrophobicContact CB-CG1 4.36Å; L455-V460 HydrophobicContact CD2-CG2 4.4Å; L455-V460 WeakPolarHBondContact O-CB 3.31Å; L455-V460 PolarHBondContact O-N 3.02Å; V460-S462 PolarHBondContact O-N 2.73Å; V460-V488 HydrophobicContact CG1-CB 4.21Å; V460-V488 HydrophobicContact CG1-CG2 3.58Å
461	R	91.9	Very high	90.6	Very high	117 Å²	117	52.7 Å²	52.7	44%	0.442	29%	0.289	S	S	.	.			trans	-80	75.8	177.2	-59.2	177.2	-65.3	131.7	-2.8	109.7	G484 T485 A486 N487 V488	R461-G484 PolarHBondContact NH1-O 3.15Å; R461-T485 WeakPolarHBondContact CB-O 3.25Å; R461-T485 WeakPolarHBondContact CD-O 3.3Å; R461-T485 VanDerWaalsContact NH1-C 3.29Å; R461-T485 PolarHBondContact NH1-O 2.63Å; R461-A486 CarbonylContact O-C 3.48Å; R461-A486 WeakPolarHBondContact O-CA 3.45Å; R461-A486 VanDerWaalsContact O-CB 3.32Å; R461-A486 WeakPolarHBondContact O-CB 3.36Å; R461-N487 WeakPolarHBondContact CB-OD1 3.31Å; R461-N487 PolarHBondContact O-N 3.14Å; R461-N487 PolarHBondContact O-OD1 2.9Å; R461-N487 VanDerWaalsContact O-OD1 3.09Å; R461-V488 PolarHBondContact O-N 3.34Å
462	S	93.5	Very high	89.8	Confident	11 Å²	11	56.9 Å²	56.9	8%	0.077	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	161.4	-179.5	63.9	0	0	0	0	113.2	D452 V460 V488	D452-S462 PolarHBondContact O-OG 3.13Å; D452-S462 WeakPolarHBondContact OD1-CB 3.33Å; D452-S462 PolarHBondContact OD1-OG 2.96Å; V460-S462 PolarHBondContact O-N 2.73Å; S462-V488 CarbonylContact C-O 3.6Å; S462-V488 WeakPolarHBondContact CA-O 3.29Å
463	T	94	Very high	89.3	Confident	13 Å²	13	57.8 Å²	57.8	8%	0.08	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	154.4	168.2	-167.4	0	0	0	0	110	D452 S477 F481 A486 V488 L489 I490	D452-T463 WeakPolarHBondContact OD1-CA 3.22Å; D452-T463 PolarHBondContact OD1-N 2.92Å; T463-S477 WeakPolarHBondContact CG2-O 3.41Å; T463-S477 WeakPolarHBondContact OG1-CA 3.33Å; T463-S477 WeakPolarHBondContact OG1-CB 3.32Å; T463-S477 PolarHBondContact OG1-OG 3.14Å; T463-S477 VanDerWaalsContact OG1-OG 3.09Å; T463-F481 HydrophobicContact CG2-CB 4.41Å; T463-A486 HydrophobicContact CG2-CB 3.83Å; T463-V488 PolarHBondContact N-O 2.94Å; T463-L489 HydrophobicContact CG2-CD1 3.66Å; T463-L489 CarbonylContact O-C 3.58Å; T463-L489 WeakPolarHBondContact O-CA 3.43Å; T463-I490 WeakPolarHBondContact O-CD1 3.42Å; T463-I490 PolarHBondContact O-N 2.99Å
464	S	94.4	Very high	88.7	Confident	4 Å²	4	53.7 Å²	53.7	3%	0.028	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	151.2	-174.9	42.9	0	0	0	0	114.1	D452 K469 S477 I490	D452-S464 WeakPolarHBondContact OD2-CB 3.34Å; D452-S464 PolarHBondContact OD2-N 3.17Å; D452-S464 PolarHBondContact OD2-OG 2.84Å; S464-K469 VanDerWaalsContact C-CE 3.44Å; S464-K469 VanDerWaalsContact CB-CE 3.42Å; S464-K469 WeakPolarHBondContact O-CD 3.34Å; S464-K469 WeakPolarHBondContact O-CE 3.38Å; S464-K469 WeakPolarHBondContact OG-CE 3.45Å; S464-K469 PolarHBondContact OG-NZ 3.18Å; S464-S477 PolarHBondContact O-OG 3.2Å; S464-S477 VanDerWaalsContact O-OG 3.04Å; S464-I490 CarbonylContact C-O 3.49Å; S464-I490 VanDerWaalsContact CA-O 3.28Å; S464-I490 WeakPolarHBondContact CA-O 3.07Å
465	I	90.6	Very high	87.9	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	122	171.3	-159.4	179	0	0	0	112.2	R474 L478 L489 I490 A491 S492 A495 I499	I465-R474 HydrophobicContact CD1-CB 4.02Å; I465-R474 HydrophobicContact CD1-CG 4.22Å; I465-R474 HydrophobicContact CG1-CB 4.09Å; I465-R474 HydrophobicContact CG1-CG 3.83Å; I465-L478 HydrophobicContact CD1-CD1 3.96Å; I465-L478 HydrophobicContact CD1-CD2 4.3Å; I465-L478 HydrophobicContact CD1-CG 4.03Å; I465-L489 HydrophobicContact CB-CD1 4.3Å; I465-L489 HydrophobicContact CG2-CD1 4.02Å; I465-L489 HydrophobicContact CG2-CG 4.42Å; I465-I490 PolarHBondContact N-O 3.38Å; I465-A491 HydrophobicContact CG2-CB 3.49Å; I465-A491 VanDerWaalsContact CG2-CB 3.49Å; I465-A491 WeakPolarHBondContact O-CA 3.32Å; I465-S492 PolarHBondContact O-N 3.42Å; I465-A495 HydrophobicContact CG1-CB 4.36Å; I465-A495 HydrophobicContact CG2-CB 4.28Å; I465-I499 HydrophobicContact CD1-CD1 3.74Å; I465-I499 HydrophobicContact CG2-CD1 4.34Å
466	H	90.4	Very high	87.5	Confident	7 Å²	7	56 Å²	56	3%	0.032	30%	0.304	C	S	.	.			trans	-148.3	177.6	173.9	56.6	95.5	0	0	0	110.8	K445 V448 D449 D468 K469 R474	K445-H466 HydrophobicContact CB-CB 4.1Å; K445-H466 HydrophobicContact CG-CB 4.06Å; V448-H466 HydrophobicContact CG1-CB 4.5Å; D449-H466 IonicContact OD1-CD2 2.75Å; D449-H466 IonicContact OD1-CE1 2.64Å; D449-H466 IonicContact OD1-NE2 3.25Å; D449-H466 PolarHBondContact OD1-NE2 3.05Å; D449-H466 IonicContact OD2-CE1 3.33Å; D449-H466 PolarHBondContact OD2-CE1 3.15Å; D449-H466 IonicContact OD2-NE2 3.37Å; D449-H466 PolarHBondContact OD2-NE2 3.24Å; H466-D468 VanDerWaalsContact C-N 3.27Å; H466-D468 PolarHBondContact ND1-N 2.85Å; H466-D468 PolarHBondContact O-N 3.01Å; H466-K469 VanDerWaalsContact CD2-CE 3.41Å; H466-K469 WeakPolarHBondContact CD2-CE 3.01Å; H466-K469 WeakPolarHBondContact NE2-CE 2.93Å; H466-K469 WeakPolarHBondContact NE2-CG 3.45Å; H466-K469 PolarHBondContact NE2-NZ 2.69Å; H466-K469 PolarHBondContact O-N 2.68Å; H466-R474 PolarHBondContact O-NH1 2.77Å; H466-R474 VanDerWaalsContact O-NH1 3.12Å
467	G	81	Confident	87.3	Confident	45 Å²	45	48.6 Å²	48.6	46%	0.464	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.3	-174.7	0	0	0	0	0	115.4
468	D	85.9	Confident	86.9	Confident	112 Å²	112	44.8 Å²	44.8	60%	0.599	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-12.6	-175.8	-59.4	-18.6	0	0	0	112.7	K445 H466 N470	K445-D468 HydrophobicContact CD-CB 4.46Å; K445-D468 WeakPolarHBondContact CD-OD2 3.44Å; K445-D468 IonicContact NZ-OD1 3.64Å; K445-D468 PolarHBondContact NZ-OD1 3.28Å; K445-D468 IonicContact NZ-OD2 3.4Å; K445-D468 PolarHBondContact NZ-OD2 2.95Å; H466-D468 VanDerWaalsContact C-N 3.27Å; H466-D468 PolarHBondContact ND1-N 2.85Å; H466-D468 PolarHBondContact O-N 3.01Å; D468-N470 PolarHBondContact O-N 3.33Å
469	K	84.9	Confident	86.4	Confident	40 Å²	40	41.5 Å²	41.5	17%	0.174	23%	0.231	C	C	.	.	S	Bend	trans	-70.8	134.6	173	-60.4	-156.1	-166.7	-72.4	0	110.2	D449 S464 H466 R474	D449-K469 IonicContact OD1-NZ 3.62Å; D449-K469 PolarHBondContact OD1-NZ 3.38Å; S464-K469 VanDerWaalsContact C-CE 3.44Å; S464-K469 VanDerWaalsContact CB-CE 3.42Å; S464-K469 WeakPolarHBondContact O-CD 3.34Å; S464-K469 WeakPolarHBondContact O-CE 3.38Å; S464-K469 WeakPolarHBondContact OG-CE 3.45Å; S464-K469 PolarHBondContact OG-NZ 3.18Å; H466-K469 VanDerWaalsContact CD2-CE 3.41Å; H466-K469 WeakPolarHBondContact CD2-CE 3.01Å; H466-K469 WeakPolarHBondContact NE2-CE 2.93Å; H466-K469 WeakPolarHBondContact NE2-CG 3.45Å; H466-K469 PolarHBondContact NE2-NZ 2.69Å; H466-K469 PolarHBondContact O-N 2.68Å; K469-R474 HydrophobicContact CB-CG 3.88Å; K469-R474 WeakPolarHBondContact O-CD 3.35Å
470	N	82.6	Confident	86.3	Confident	104 Å²	104	40.8 Å²	40.8	56%	0.556	21%	0.211	S	C	*	.			trans	-61.8	157.4	173.2	71.5	45	0	0	0	111.1	D468 Y472 S473 R474	D468-N470 PolarHBondContact O-N 3.33Å; N470-Y472 PolarHBondContact O-N 3.39Å; N470-Y472 PolarHBondContact OD1-N 2.86Å; N470-S473 PolarHBondContact O-N 2.73Å; N470-S473 VanDerWaalsContact O-N 3.14Å; N470-S473 VanDerWaalsContact OD1-CB 3.31Å; N470-S473 WeakPolarHBondContact OD1-CB 3.38Å; N470-S473 PolarHBondContact OD1-N 3.38Å; N470-R474 WeakPolarHBondContact O-CG 3.39Å; N470-R474 PolarHBondContact O-N 2.99Å
471	Q	70.7	Confident	86.2	Confident	35 Å²	35	40.4 Å²	40.4	16%	0.164	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-30.1	-172.4	178.2	54.7	2.5	0	0	114.2	A475	Q471-A475 WeakPolarHBondContact O-CB 2.98Å; Q471-A475 PolarHBondContact O-N 2.83Å
472	Y	79.1	Confident	85.7	Confident	97 Å²	97	38.6 Å²	38.6	38%	0.38	20%	0.202	S	C	.	.	H	α-helix	trans	-66.8	-45.1	177.7	171	-90.4	0	0	0	111.1	H14 N470 A475 K476	H14-Y472 AromaticContact CE1-CE2 2.97Å; H14-Y472 WeakPolarHBondContact CE1-CE2 3.33Å; H14-Y472 AromaticContact CE1-CZ 3.09Å; H14-Y472 PolarHBondContact CE1-OH 3.39Å; H14-Y472 AromaticContact ND1-CE2 3.86Å; H14-Y472 AromaticContact NE2-CE2 3.25Å; H14-Y472 WeakPolarHBondContact NE2-CE2 3.34Å; H14-Y472 AromaticContact NE2-CZ 3.32Å; H14-Y472 VanDerWaalsContact NE2-CZ 3.32Å; H14-Y472 PolarHBondContact NE2-OH 2.55Å; N470-Y472 PolarHBondContact O-N 3.39Å; N470-Y472 PolarHBondContact OD1-N 2.86Å; Y472-A475 PolarHBondContact O-N 2.83Å; Y472-K476 WeakPolarHBondContact O-CB 2.99Å; Y472-K476 PolarHBondContact O-N 2.94Å
473	S	85.2	Confident	85	Confident	38 Å²	38	41.1 Å²	41.1	27%	0.266	21%	0.212	S	C	.	.	H	α-helix	trans	-61.5	-49.3	175.2	-178.6	0	0	0	0	110.7	N470 A475 K476 S477	N470-S473 PolarHBondContact O-N 2.73Å; N470-S473 VanDerWaalsContact O-N 3.14Å; N470-S473 VanDerWaalsContact OD1-CB 3.31Å; N470-S473 WeakPolarHBondContact OD1-CB 3.38Å; N470-S473 PolarHBondContact OD1-N 3.38Å; S473-A475 VanDerWaalsContact C-N 3.35Å; S473-A475 PolarHBondContact O-N 3.13Å; S473-K476 PolarHBondContact O-N 2.93Å; S473-K476 VanDerWaalsContact O-N 3.09Å; S473-S477 PolarHBondContact O-N 3.25Å; S473-S477 PolarHBondContact O-OG 3.16Å; S473-S477 VanDerWaalsContact O-OG 3.05Å
474	R	83.4	Confident	84.4	Confident	23 Å²	23	40.7 Å²	40.7	9%	0.087	21%	0.21	C	C	.	.	H	α-helix	trans	-53.9	-48.4	175.7	-66.1	176.5	59.2	120.1	-6.8	112.5	E226 I465 H466 K469 N470 S477 L478	E226-R474 IonicContact OE1-CZ 2.86Å; E226-R474 IonicContact OE1-NE 3.05Å; E226-R474 IonicContact OE1-NH2 3.92Å; E226-R474 PolarHBondContact OE1-NH2 2.71Å; I465-R474 HydrophobicContact CD1-CB 4.02Å; I465-R474 HydrophobicContact CD1-CG 4.22Å; I465-R474 HydrophobicContact CG1-CB 4.09Å; I465-R474 HydrophobicContact CG1-CG 3.83Å; H466-R474 PolarHBondContact O-NH1 2.77Å; H466-R474 VanDerWaalsContact O-NH1 3.12Å; K469-R474 HydrophobicContact CB-CG 3.88Å; K469-R474 WeakPolarHBondContact O-CD 3.35Å; N470-R474 WeakPolarHBondContact O-CG 3.39Å; N470-R474 PolarHBondContact O-N 2.99Å; R474-S477 PolarHBondContact O-N 3.38Å; R474-L478 WeakPolarHBondContact O-CG 3.18Å; R474-L478 PolarHBondContact O-N 3.22Å; R474-L478 VanDerWaalsContact O-N 3.09Å
475	A	79.3	Confident	84	Confident	19 Å²	19	44.1 Å²	44.1	16%	0.157	23%	0.231	C	C	.	.	H	α-helix	trans	-64.3	-43.4	177.6	0	0	0	0	0	111.5	L13 Q471 Y472 S473 L478 D479	L13-A475 HydrophobicContact CB-CB 4.41Å; L13-A475 WeakPolarHBondContact CD1-O 3.25Å; L13-A475 HydrophobicContact CD2-CB 4.39Å; Q471-A475 WeakPolarHBondContact O-CB 2.98Å; Q471-A475 PolarHBondContact O-N 2.83Å; Y472-A475 PolarHBondContact O-N 2.83Å; S473-A475 VanDerWaalsContact C-N 3.35Å; S473-A475 PolarHBondContact O-N 3.13Å; A475-L478 PolarHBondContact O-N 2.98Å; A475-D479 PolarHBondContact O-N 2.89Å
476	K	87.3	Confident	83.9	Confident	102 Å²	102	44.4 Å²	44.4	44%	0.443	23%	0.233	S	C	.	.	H	α-helix	trans	-61.2	-45.6	176.6	-173.5	-178.2	176.7	-175	0	111.8	Y472 S473 L478 D479 L480	Y472-K476 WeakPolarHBondContact O-CB 2.99Å; Y472-K476 PolarHBondContact O-N 2.94Å; S473-K476 PolarHBondContact O-N 2.93Å; S473-K476 VanDerWaalsContact O-N 3.09Å; K476-L478 VanDerWaalsContact C-N 3.34Å; K476-L478 PolarHBondContact O-N 2.84Å; K476-D479 WeakPolarHBondContact O-CB 3.19Å; K476-D479 PolarHBondContact O-N 2.82Å; K476-D479 VanDerWaalsContact O-N 3.13Å; K476-L480 HydrophobicContact CG-CD1 4.25Å; K476-L480 WeakPolarHBondContact O-CG 3.28Å; K476-L480 PolarHBondContact O-N 2.94Å
477	S	89.4	Confident	83.9	Confident	7 Å²	7	44.4 Å²	44.4	5%	0.049	23%	0.233	C	C	.	.	H	α-helix	trans	-57.5	-47.4	176.5	-57.1	0	0	0	0	111.4	T463 S464 S473 R474 D479 L480 F481	T463-S477 WeakPolarHBondContact CG2-O 3.41Å; T463-S477 WeakPolarHBondContact OG1-CA 3.33Å; T463-S477 WeakPolarHBondContact OG1-CB 3.32Å; T463-S477 PolarHBondContact OG1-OG 3.14Å; T463-S477 VanDerWaalsContact OG1-OG 3.09Å; S464-S477 PolarHBondContact O-OG 3.2Å; S464-S477 VanDerWaalsContact O-OG 3.04Å; S473-S477 PolarHBondContact O-N 3.25Å; S473-S477 PolarHBondContact O-OG 3.16Å; S473-S477 VanDerWaalsContact O-OG 3.05Å; R474-S477 PolarHBondContact O-N 3.38Å; S477-D479 VanDerWaalsContact C-N 3.29Å; S477-D479 PolarHBondContact O-N 2.97Å; S477-L480 PolarHBondContact O-N 3.02Å; S477-F481 PolarHBondContact O-N 3.43Å
478	L	84.8	Confident	84.4	Confident	11 Å²	11	42.3 Å²	42.3	6%	0.058	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-32.8	176.7	-69.5	175.3	0	0	0	113.2	L13 I465 R474 A475 K476 R482 L489 I499 I501	L13-L478 HydrophobicContact CD1-CB 4.34Å; I465-L478 HydrophobicContact CD1-CD1 3.96Å; I465-L478 HydrophobicContact CD1-CD2 4.3Å; I465-L478 HydrophobicContact CD1-CG 4.03Å; R474-L478 WeakPolarHBondContact O-CG 3.18Å; R474-L478 PolarHBondContact O-N 3.22Å; R474-L478 VanDerWaalsContact O-N 3.09Å; A475-L478 PolarHBondContact O-N 2.98Å; K476-L478 VanDerWaalsContact C-N 3.34Å; K476-L478 PolarHBondContact O-N 2.84Å; L478-R482 VanDerWaalsContact O-CB 3.31Å; L478-R482 WeakPolarHBondContact O-CB 3.44Å; L478-R482 WeakPolarHBondContact O-CG 3.46Å; L478-R482 PolarHBondContact O-N 3.2Å; L478-L489 HydrophobicContact CD2-CD2 3.76Å; L478-I499 HydrophobicContact CD1-CD1 4.21Å; L478-I499 HydrophobicContact CD1-CG2 4.01Å; L478-I499 HydrophobicContact CD2-CD1 3.85Å; L478-I499 HydrophobicContact CD2-CG2 3.59Å; L478-I499 HydrophobicContact CG-CG2 4.44Å; L478-I501 HydrophobicContact CD2-CD1 4.34Å
479	D	84.4	Confident	84.8	Confident	12 Å²	12	37 Å²	37	6%	0.064	18%	0.183	C	C	.	.	H	α-helix	trans	-62.9	-50.4	174.3	-156.3	49.7	0	0	0	111.9	T12 L13 A475 K476 S477 F481 R482 K483	T12-D479 VanDerWaalsContact CA-OD2 3.31Å; T12-D479 WeakPolarHBondContact CA-OD2 3.2Å; L13-D479 HydrophobicContact CB-CB 3.78Å; L13-D479 HydrophobicContact CD1-CB 3.59Å; L13-D479 HydrophobicContact CG-CB 4.05Å; L13-D479 WeakPolarHBondContact CG-OD1 3.42Å; L13-D479 PolarHBondContact N-OD1 2.98Å; L13-D479 PolarHBondContact N-OD2 3.46Å; L13-D479 VanDerWaalsContact N-OD2 3.15Å; A475-D479 PolarHBondContact O-N 2.89Å; K476-D479 WeakPolarHBondContact O-CB 3.19Å; K476-D479 PolarHBondContact O-N 2.82Å; K476-D479 VanDerWaalsContact O-N 3.13Å; S477-D479 VanDerWaalsContact C-N 3.29Å; S477-D479 PolarHBondContact O-N 2.97Å; D479-F481 VanDerWaalsContact C-N 3.26Å; D479-F481 PolarHBondContact O-N 2.88Å; D479-R482 PolarHBondContact O-N 3.18Å; D479-K483 VanDerWaalsContact O-CB 3.29Å; D479-K483 WeakPolarHBondContact O-CB 3.49Å; D479-K483 VanDerWaalsContact O-CG 3.24Å; D479-K483 WeakPolarHBondContact O-CG 3.45Å; D479-K483 PolarHBondContact O-N 2.85Å; D479-K483 IonicContact OD1-NZ 2.83Å; D479-K483 WeakPolarHBondContact OD2-CE 3.49Å; D479-K483 IonicContact OD2-NZ 3.75Å; D479-K483 PolarHBondContact OD2-NZ 3.18Å
480	L	88.7	Confident	85.3	Confident	51 Å²	51	35 Å²	35	27%	0.267	17%	0.174	S	C	.	.	H	α-helix	trans	-61	-42	-178.9	-68.2	170.9	0	0	0	109.7	K476 S477 G484 T485 A486	K476-L480 HydrophobicContact CG-CD1 4.25Å; K476-L480 WeakPolarHBondContact O-CG 3.28Å; K476-L480 PolarHBondContact O-N 2.94Å; S477-L480 PolarHBondContact O-N 3.02Å; L480-G484 PolarHBondContact O-N 3.15Å; L480-T485 HydrophobicContact CD2-CG2 3.84Å; L480-T485 PolarHBondContact O-N 3.48Å; L480-A486 HydrophobicContact CB-CB 4.03Å; L480-A486 PolarHBondContact O-N 3Å
481	F	87.9	Confident	85.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.1	-47.9	177.3	-168.4	-118.5	0	0	0	112.9	R437 V438 T463 S477 D479 K483 G484 A486 N487 L489 I501	R437-F481 HydrophobicContact CB-CE1 4.39Å; R437-F481 HydrophobicContact CB-CE2 4.08Å; R437-F481 HydrophobicContact CB-CZ 3.74Å; R437-F481 HydrophobicContact CG-CE2 4.47Å; R437-F481 HydrophobicContact CG-CZ 4.42Å; R437-F481 PolarHBondContact NE-O 2.93Å; V438-F481 WeakPolarHBondContact O-CE2 3.15Å; V438-F481 WeakPolarHBondContact O-CZ 3.4Å; T463-F481 HydrophobicContact CG2-CB 4.41Å; S477-F481 PolarHBondContact O-N 3.43Å; D479-F481 VanDerWaalsContact C-N 3.26Å; D479-F481 PolarHBondContact O-N 2.88Å; F481-K483 VanDerWaalsContact C-N 3.32Å; F481-K483 PolarHBondContact O-N 2.88Å; F481-G484 PolarHBondContact O-N 3.34Å; F481-A486 WeakPolarHBondContact CA-O 3.39Å; F481-A486 WeakPolarHBondContact CD2-O 3.44Å; F481-N487 WeakPolarHBondContact CE2-O 3.08Å; F481-L489 HydrophobicContact CB-CB 4.38Å; F481-L489 HydrophobicContact CD1-CB 3.85Å; F481-L489 HydrophobicContact CD1-CD2 3.8Å; F481-L489 HydrophobicContact CD1-CG 4.44Å; F481-L489 HydrophobicContact CD2-CB 3.59Å; F481-L489 HydrophobicContact CE1-CB 3.89Å; F481-L489 HydrophobicContact CE1-CD2 4.13Å; F481-L489 HydrophobicContact CE2-CB 3.65Å; F481-L489 HydrophobicContact CG-CB 3.68Å; F481-L489 HydrophobicContact CG-CD2 4.22Å; F481-L489 HydrophobicContact CG-CG 4.48Å; F481-L489 HydrophobicContact CZ-CB 3.8Å; F481-I501 HydrophobicContact CD1-CD1 3.83Å; F481-I501 HydrophobicContact CD1-CG2 3.91Å; F481-I501 HydrophobicContact CE1-CD1 3.8Å; F481-I501 HydrophobicContact CE1-CG2 3.75Å
482	R	81.4	Confident	86.7	Confident	79 Å²	79	28.9 Å²	28.9	30%	0.298	14%	0.143	S	C	.	.	H	α-helix	trans	-60	-41.8	177.4	-76.5	173.8	-177.1	154.3	1.7	112.1	R437 L478 D479 G484 D500	R437-R482 PolarHBondContact NH2-O 3.2Å; L478-R482 VanDerWaalsContact O-CB 3.31Å; L478-R482 WeakPolarHBondContact O-CB 3.44Å; L478-R482 WeakPolarHBondContact O-CG 3.46Å; L478-R482 PolarHBondContact O-N 3.2Å; D479-R482 PolarHBondContact O-N 3.18Å; R482-G484 PolarHBondContact O-N 3.34Å; R482-D500 PolarHBondContact NH2-O 3.04Å
483	K	79.9	Confident	86.6	Confident	65 Å²	65	24.9 Å²	24.9	28%	0.283	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-7	176	-70.7	172.9	175.2	179.2	0	113.7	I11 T12 D479 F481 T485	I11-K483 WeakPolarHBondContact O-CE 3.43Å; T12-K483 PolarHBondContact OG1-NZ 2.88Å; D479-K483 VanDerWaalsContact O-CB 3.29Å; D479-K483 WeakPolarHBondContact O-CB 3.49Å; D479-K483 VanDerWaalsContact O-CG 3.24Å; D479-K483 WeakPolarHBondContact O-CG 3.45Å; D479-K483 PolarHBondContact O-N 2.85Å; D479-K483 IonicContact OD1-NZ 2.83Å; D479-K483 WeakPolarHBondContact OD2-CE 3.49Å; D479-K483 IonicContact OD2-NZ 3.75Å; D479-K483 PolarHBondContact OD2-NZ 3.18Å; F481-K483 VanDerWaalsContact C-N 3.32Å; F481-K483 PolarHBondContact O-N 2.88Å; K483-T485 PolarHBondContact O-N 2.95Å
484	G	81.4	Confident	85.8	Confident	4 Å²	4	28.3 Å²	28.3	4%	0.041	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	12.8	-173.5	0	0	0	0	0	113.6	R461 L480 F481 R482	R461-G484 PolarHBondContact NH1-O 3.15Å; L480-G484 PolarHBondContact O-N 3.15Å; F481-G484 PolarHBondContact O-N 3.34Å; R482-G484 PolarHBondContact O-N 3.34Å
485	T	86.5	Confident	85.1	Confident	76 Å²	76	27.3 Å²	27.3	47%	0.466	15%	0.145	S	C	.	.	S	Bend	trans	-69.9	-38.1	172.5	-51.4	0	0	0	0	110.5	R461 L480 K483	R461-T485 WeakPolarHBondContact CB-O 3.25Å; R461-T485 WeakPolarHBondContact CD-O 3.3Å; R461-T485 VanDerWaalsContact NH1-C 3.29Å; R461-T485 PolarHBondContact NH1-O 2.63Å; L480-T485 HydrophobicContact CD2-CG2 3.84Å; L480-T485 PolarHBondContact O-N 3.48Å; K483-T485 PolarHBondContact O-N 2.95Å
486	A	88.7	Confident	84.4	Confident	5 Å²	5	26.5 Å²	26.5	4%	0.041	14%	0.139	C	C	.	.	S	Bend	trans	-101.3	128.3	157.8	0	0	0	0	0	107.6	R461 T463 L480 F481	R461-A486 CarbonylContact O-C 3.48Å; R461-A486 WeakPolarHBondContact O-CA 3.45Å; R461-A486 VanDerWaalsContact O-CB 3.32Å; R461-A486 WeakPolarHBondContact O-CB 3.36Å; T463-A486 HydrophobicContact CG2-CB 3.83Å; L480-A486 HydrophobicContact CB-CB 4.03Å; L480-A486 PolarHBondContact O-N 3Å; F481-A486 WeakPolarHBondContact CA-O 3.39Å; F481-A486 WeakPolarHBondContact CD2-O 3.44Å
487	N	88.9	Confident	83.5	Confident	8 Å²	8	24 Å²	24	4%	0.043	13%	0.127	C	C	.	.	S	Bend	trans	-94.5	-10	176.3	63.6	-37.7	0	0	0	112.2	N424 V435 C436 R437 V438 R461 F481	N424-N487 PolarHBondContact ND2-ND2 3.22Å; N424-N487 VanDerWaalsContact ND2-ND2 3.18Å; N424-N487 PolarHBondContact OD1-ND2 3.35Å; V435-N487 HydrophobicContact CG1-CB 3.88Å; C436-N487 WeakPolarHBondContact O-CB 3.45Å; R437-N487 WeakPolarHBondContact CA-O 3.32Å; V438-N487 PolarHBondContact N-O 3.45Å; R461-N487 WeakPolarHBondContact CB-OD1 3.31Å; R461-N487 PolarHBondContact O-N 3.14Å; R461-N487 PolarHBondContact O-OD1 2.9Å; R461-N487 VanDerWaalsContact O-OD1 3.09Å; F481-N487 WeakPolarHBondContact CE2-O 3.08Å
488	V	93.3	Very high	82.1	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.7	177.7	-174	0	0	0	0	110.4	I420 V438 V440 L455 V460 R461 S462 T463 I490	I420-V488 HydrophobicContact CD1-CG1 4.08Å; I420-V488 HydrophobicContact CD1-CG2 4.12Å; I420-V488 HydrophobicContact CG1-CG2 4.44Å; I420-V488 HydrophobicContact CG2-CG2 3.79Å; V438-V488 HydrophobicContact CB-CG2 4.4Å; V438-V488 WeakPolarHBondContact O-CA 3.37Å; V440-V488 HydrophobicContact CG2-CG1 3.75Å; L455-V488 HydrophobicContact CD1-CG1 4.16Å; V460-V488 HydrophobicContact CG1-CB 4.21Å; V460-V488 HydrophobicContact CG1-CG2 3.58Å; R461-V488 PolarHBondContact O-N 3.34Å; S462-V488 CarbonylContact C-O 3.6Å; S462-V488 WeakPolarHBondContact CA-O 3.29Å; T463-V488 PolarHBondContact N-O 2.94Å; V488-I490 HydrophobicContact CG1-CD1 4.14Å
489	L	93.7	Very high	81.3	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.5	172.4	176.3	64.8	0	0	0	109.3	V438 L439 V440 T463 I465 L478 F481 I501	V438-L489 PolarHBondContact O-N 3.36Å; L439-L489 HydrophobicContact CD1-CB 4Å; L439-L489 HydrophobicContact CD1-CD2 3.83Å; L439-L489 HydrophobicContact CD1-CG 3.86Å; L439-L489 WeakPolarHBondContact CD1-O 3.44Å; V440-L489 PolarHBondContact N-O 3.22Å; T463-L489 HydrophobicContact CG2-CD1 3.66Å; T463-L489 CarbonylContact O-C 3.58Å; T463-L489 WeakPolarHBondContact O-CA 3.43Å; I465-L489 HydrophobicContact CB-CD1 4.3Å; I465-L489 HydrophobicContact CG2-CD1 4.02Å; I465-L489 HydrophobicContact CG2-CG 4.42Å; L478-L489 HydrophobicContact CD2-CD2 3.76Å; F481-L489 HydrophobicContact CB-CB 4.38Å; F481-L489 HydrophobicContact CD1-CB 3.85Å; F481-L489 HydrophobicContact CD1-CD2 3.8Å; F481-L489 HydrophobicContact CD1-CG 4.44Å; F481-L489 HydrophobicContact CD2-CB 3.59Å; F481-L489 HydrophobicContact CE1-CB 3.89Å; F481-L489 HydrophobicContact CE1-CD2 4.13Å; F481-L489 HydrophobicContact CE2-CB 3.65Å; F481-L489 HydrophobicContact CG-CB 3.68Å; F481-L489 HydrophobicContact CG-CD2 4.22Å; F481-L489 HydrophobicContact CG-CG 4.48Å; F481-L489 HydrophobicContact CZ-CB 3.8Å; L489-I501 HydrophobicContact CD2-CD1 3.68Å
490	I	95.2	Very high	80.3	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125.7	173.8	-52.1	80.8	0	0	0	108.7	V440 C442 V448 I451 D452 L455 T463 S464 I465 V488	V440-I490 HydrophobicContact CB-CG1 4.27Å; V440-I490 HydrophobicContact CB-CG2 4.48Å; V440-I490 HydrophobicContact CG1-CG2 4.47Å; V440-I490 CarbonylContact O-C 3.49Å; V440-I490 WeakPolarHBondContact O-CA 3.37Å; C442-I490 VanDerWaalsContact SG-CG2 3.57Å; V448-I490 HydrophobicContact CB-CG2 4.16Å; V448-I490 HydrophobicContact CG1-CB 4.23Å; V448-I490 HydrophobicContact CG1-CG2 3.89Å; V448-I490 HydrophobicContact CG2-CG2 4.21Å; I451-I490 HydrophobicContact CB-CG2 4.41Å; I451-I490 HydrophobicContact CG2-CG1 4Å; I451-I490 HydrophobicContact CG2-CG2 4.36Å; D452-I490 HydrophobicContact CB-CD1 3.92Å; D452-I490 HydrophobicContact CB-CG1 4.41Å; L455-I490 HydrophobicContact CD1-CD1 4.24Å; L455-I490 HydrophobicContact CD1-CG1 4.41Å; T463-I490 WeakPolarHBondContact O-CD1 3.42Å; T463-I490 PolarHBondContact O-N 2.99Å; S464-I490 CarbonylContact C-O 3.49Å; S464-I490 VanDerWaalsContact CA-O 3.28Å; S464-I490 WeakPolarHBondContact CA-O 3.07Å; I465-I490 PolarHBondContact N-O 3.38Å; V488-I490 HydrophobicContact CG1-CD1 4.14Å
491	A	93.3	Very high	79.3	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	146.9	-173.7	0	0	0	0	0	113.1	L439 V440 F441 C442 I465 A496	L439-A491 HydrophobicContact CD1-CB 4.16Å; V440-A491 PolarHBondContact O-N 3.49Å; F441-A491 WeakPolarHBondContact CA-O 3.46Å; F441-A491 HydrophobicContact CE1-CB 4.41Å; C442-A491 PolarHBondContact N-O 3.48Å; I465-A491 HydrophobicContact CG2-CB 3.49Å; I465-A491 VanDerWaalsContact CG2-CB 3.49Å; I465-A491 WeakPolarHBondContact O-CA 3.32Å; A491-A496 HydrophobicContact CB-CB 3.89Å
492	S	89.8	Confident	78.1	Confident	9 Å²	9	27.3 Å²	27.3	6%	0.063	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	154.4	160.7	76	0	0	0	0	110.7	I465 V494 A495 A496	I465-S492 PolarHBondContact O-N 3.42Å; S492-V494 VanDerWaalsContact C-N 3.33Å; S492-V494 PolarHBondContact O-N 3.4Å; S492-A495 PolarHBondContact O-N 2.91Å; S492-A495 WeakPolarHBondContact OG-CB 3.19Å; S492-A496 PolarHBondContact O-N 3.49Å
493	S	75.5	Confident	77.4	Confident	14 Å²	14	26.3 Å²	26.3	10%	0.098	15%	0.149	C	C	.	.	H	α-helix	trans	-53.2	-49	-178.3	-64.3	0	0	0	0	112.9	A495 A496 R497 R522	S493-A495 PolarHBondContact O-N 2.67Å; S493-A496 PolarHBondContact O-N 3.05Å; S493-R497 WeakPolarHBondContact O-CG 3.5Å; S493-R497 PolarHBondContact O-N 2.65Å; S493-R497 VanDerWaalsContact O-N 3.15Å; S493-R522 PolarHBondContact OG-NE 3.33Å; S493-R522 PolarHBondContact OG-NH2 2.87Å
494	V	69.8	Low	77.5	Confident	109 Å²	109	23.7 Å²	23.7	66%	0.661	14%	0.138	S	C	*	.	H	α-helix	trans	-61.8	-35	179.7	-176.7	0	0	0	0	111.6	S492	S492-V494 VanDerWaalsContact C-N 3.33Å; S492-V494 PolarHBondContact O-N 3.4Å
495	A	67.5	Low	77.7	Confident	2 Å²	2	26 Å²	26	2%	0.017	15%	0.148	C	C	.	.	H	α-helix	trans	-76.9	-35.5	-178.7	0	0	0	0	0	112.6	I465 S492 S493 I499	I465-A495 HydrophobicContact CG1-CB 4.36Å; I465-A495 HydrophobicContact CG2-CB 4.28Å; S492-A495 PolarHBondContact O-N 2.91Å; S492-A495 WeakPolarHBondContact OG-CB 3.19Å; S493-A495 PolarHBondContact O-N 2.67Å; A495-I499 VanDerWaalsContact O-CD1 3.29Å; A495-I499 WeakPolarHBondContact O-CD1 3.44Å; A495-I499 WeakPolarHBondContact O-CG1 3.34Å
496	A	65.6	Low	77.9	Confident	3 Å²	3	22.4 Å²	22.4	3%	0.025	13%	0.125	C	C	.	.	H	α-helix	trans	-80.4	-18.8	-178.9	0	0	0	0	0	114.4	F441 A491 S492 S493 G498 I499	F441-A496 HydrophobicContact CD1-CB 4.38Å; F441-A496 HydrophobicContact CE1-CB 3.21Å; F441-A496 HydrophobicContact CZ-CB 3.45Å; F441-A496 VanDerWaalsContact CZ-CB 3.45Å; A491-A496 HydrophobicContact CB-CB 3.89Å; S492-A496 PolarHBondContact O-N 3.49Å; S493-A496 PolarHBondContact O-N 3.05Å; A496-G498 PolarHBondContact O-N 3.48Å; A496-I499 HydrophobicContact CB-CD1 4.49Å; A496-I499 WeakPolarHBondContact O-CG1 3.27Å; A496-I499 PolarHBondContact O-N 2.76Å
497	R	67.6	Low	78.1	Confident	49 Å²	49	22.2 Å²	22.2	19%	0.185	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	121.6	171.3	-83.3	-176.6	-167	171.1	2.8	108.7	R300 S493 I499 D518	R300-R497 VanDerWaalsContact CZ-C 3.49Å; R300-R497 PolarHBondContact NH2-O 3.5Å; S493-R497 WeakPolarHBondContact O-CG 3.5Å; S493-R497 PolarHBondContact O-N 2.65Å; S493-R497 VanDerWaalsContact O-N 3.15Å; R497-I499 VanDerWaalsContact C-N 3.31Å; R497-D518 IonicContact CZ-OD1 3.88Å; R497-D518 IonicContact NE-OD1 2.75Å; R497-D518 PolarHBondContact NE-OD1 3.42Å; R497-D518 VanDerWaalsContact NH2-CG 3.27Å; R497-D518 IonicContact NH2-OD1 3.79Å; R497-D518 PolarHBondContact NH2-OD1 3.35Å; R497-D518 IonicContact NH2-OD2 3.76Å; R497-D518 PolarHBondContact NH2-OD2 3.49Å
498	G	59.9	Low	78.5	Confident	2 Å²	2	21.8 Å²	21.8	2%	0.021	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	0.6	173.1	0	0	0	0	0	113.7	E226 Q230 A496 D500	E226-G498 WeakPolarHBondContact CB-O 3.41Å; Q230-G498 PolarHBondContact NE2-O 3.07Å; A496-G498 PolarHBondContact O-N 3.48Å; G498-D500 PolarHBondContact O-N 3.39Å
499	I	67.7	Low	78.6	Confident	4 Å²	4	21.8 Å²	21.8	2%	0.021	12%	0.121	C	C	.	.			trans	-80.4	117.5	169.2	-43.1	-174	0	0	0	107.6	I465 L478 A495 A496 R497 I501 R525	I465-I499 HydrophobicContact CD1-CD1 3.74Å; I465-I499 HydrophobicContact CG2-CD1 4.34Å; L478-I499 HydrophobicContact CD1-CD1 4.21Å; L478-I499 HydrophobicContact CD1-CG2 4.01Å; L478-I499 HydrophobicContact CD2-CD1 3.85Å; L478-I499 HydrophobicContact CD2-CG2 3.59Å; L478-I499 HydrophobicContact CG-CG2 4.44Å; A495-I499 VanDerWaalsContact O-CD1 3.29Å; A495-I499 WeakPolarHBondContact O-CD1 3.44Å; A495-I499 WeakPolarHBondContact O-CG1 3.34Å; A496-I499 HydrophobicContact CB-CD1 4.49Å; A496-I499 WeakPolarHBondContact O-CG1 3.27Å; A496-I499 PolarHBondContact O-N 2.76Å; R497-I499 VanDerWaalsContact C-N 3.31Å; I499-I501 HydrophobicContact CB-CD1 4.4Å; I499-I501 HydrophobicContact CB-CG1 4.39Å; I499-I501 HydrophobicContact CG2-CD1 3.69Å; I499-I501 HydrophobicContact CG2-CG1 3.49Å; I499-I501 VanDerWaalsContact CG2-CG1 3.49Å; I499-R525 PolarHBondContact O-NH1 3.41Å
500	D	63.7	Low	78.6	Confident	65 Å²	65	21.9 Å²	21.9	35%	0.348	12%	0.122	S	C	.	.			trans	-91	113.2	166.7	-168.3	26.4	0	0	0	106.9	R482 G498 R528	R482-D500 PolarHBondContact NH2-O 3.04Å; G498-D500 PolarHBondContact O-N 3.39Å; D500-R528 IonicContact OD1-NH1 3.87Å; D500-R528 PolarHBondContact OD1-NH1 2.88Å
501	I	68.1	Low	78.4	Confident	8 Å²	8	22.1 Å²	22.1	4%	0.041	12%	0.124	C	C	.	.			trans	-126.4	107.1	174.9	-53.5	166.5	0	0	0	105.3	L478 F481 L489 I499 V504	L478-I501 HydrophobicContact CD2-CD1 4.34Å; F481-I501 HydrophobicContact CD1-CD1 3.83Å; F481-I501 HydrophobicContact CD1-CG2 3.91Å; F481-I501 HydrophobicContact CE1-CD1 3.8Å; F481-I501 HydrophobicContact CE1-CG2 3.75Å; L489-I501 HydrophobicContact CD2-CD1 3.68Å; I499-I501 HydrophobicContact CB-CD1 4.4Å; I499-I501 HydrophobicContact CB-CG1 4.39Å; I499-I501 HydrophobicContact CG2-CD1 3.69Å; I499-I501 HydrophobicContact CG2-CG1 3.49Å; I499-I501 VanDerWaalsContact CG2-CG1 3.49Å; I501-V504 HydrophobicContact CB-CG2 3.97Å; I501-V504 HydrophobicContact CG2-CG2 3.89Å
502	P	61.8	Low	78.3	Confident	72 Å²	72	22.1 Å²	22.1	47%	0.468	12%	0.124	S	C	.	.	S	Bend	trans	-68.9	146	174.2	28	-32.6	0	0	0	110	R437	R437-P502 PolarHBondContact NH1-O 2.8Å
503	N	67.8	Low	78.3	Confident	58 Å²	58	21.7 Å²	21.7	31%	0.31	12%	0.121	S	C	.	.			trans	58.6	52.2	173.2	-50	-10.5	0	0	0	113.6	E433	E433-N503 PolarHBondContact OE1-ND2 3.39Å
504	V	82.4	Confident	78.8	Confident	10 Å²	10	25.4 Å²	25.4	6%	0.061	14%	0.14	C	C	.	.			trans	-75.6	119.2	160.4	179.3	0	0	0	0	106.6	L439 I501 A506 V507 R525 T526	L439-V504 HydrophobicContact CB-CG1 3.84Å; I501-V504 HydrophobicContact CB-CG2 3.97Å; I501-V504 HydrophobicContact CG2-CG2 3.89Å; V504-A506 VanDerWaalsContact CG1-O 3.23Å; V504-A506 WeakPolarHBondContact CG1-O 3Å; V504-V507 HydrophobicContact CG1-CG2 4.14Å; V504-R525 WeakPolarHBondContact CB-O 3.41Å; V504-T526 PolarHBondContact O-OG1 2.82Å
505	F	85.7	Confident	79.4	Confident	53 Å²	53	25.1 Å²	25.1	23%	0.232	13%	0.131	C	C	.	.			trans	-72.1	-53.9	179.6	174.3	-95	0	0	0	109.9	M423 C436 R437 T526 E534	M423-F505 HydrophobicContact CG-CE1 4.48Å; C436-F505 WeakPolarHBondContact SG-CD1 3.41Å; R437-F505 PolarHBondContact O-N 3.17Å; F505-T526 PolarHBondContact O-OG1 3.47Å; F505-E534 PolarHBondContact O-N 3.4Å; F505-E534 VanDerWaalsContact O-N 3.13Å
506	A	90.9	Very high	80.1	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.2	-178.4	0	0	0	0	0	112.5	M423 V438 L439 V504 E534	M423-A506 HydrophobicContact CE-CB 3.69Å; M423-A506 HydrophobicContact SD-CB 3.65Å; V438-A506 WeakPolarHBondContact CA-O 3.11Å; V438-A506 HydrophobicContact CG1-CB 4.44Å; V438-A506 HydrophobicContact CG2-CB 4.46Å; L439-A506 PolarHBondContact N-O 3.29Å; V504-A506 VanDerWaalsContact CG1-O 3.23Å; V504-A506 WeakPolarHBondContact CG1-O 3Å; A506-E534 CarbonylContact C-O 3.55Å; A506-E534 VanDerWaalsContact CA-O 3.22Å; A506-E534 WeakPolarHBondContact CA-O 3.44Å; A506-E534 HydrophobicContact CB-CB 4.08Å
507	V	92.7	Very high	80.6	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129	166	175.3	0	0	0	0	108.1	L439 F441 V504 R522 R525 T526 E534 A535 I536	L439-V507 HydrophobicContact CB-CG2 4.48Å; L439-V507 CarbonylContact O-C 3.31Å; L439-V507 WeakPolarHBondContact O-CA 3.32Å; F441-V507 HydrophobicContact CD2-CG1 3.76Å; F441-V507 HydrophobicContact CE2-CG1 3.98Å; V504-V507 HydrophobicContact CG1-CG2 4.14Å; V507-R522 WeakPolarHBondContact CG1-O 3.32Å; V507-R525 HydrophobicContact CG2-CB 3.77Å; V507-T526 HydrophobicContact CB-CG2 4.36Å; V507-T526 HydrophobicContact CG2-CG2 3.87Å; V507-E534 PolarHBondContact N-O 2.97Å; V507-A535 CarbonylContact O-C 3.54Å; V507-A535 WeakPolarHBondContact O-CA 3.37Å; V507-I536 PolarHBondContact O-N 3.38Å
508	I	95.7	Very high	81.2	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118.8	175.2	-53.8	178.1	0	0	0	109.1	L416 I420 M423 V438 L439 V440 F441 I536 L538	L416-I508 HydrophobicContact CD1-CB 4.31Å; L416-I508 HydrophobicContact CD1-CD1 3.75Å; L416-I508 HydrophobicContact CD1-CG2 3.79Å; I420-I508 HydrophobicContact CG1-CD1 4.36Å; M423-I508 HydrophobicContact CE-CD1 4.36Å; M423-I508 HydrophobicContact SD-CD1 4.26Å; V438-I508 HydrophobicContact CG1-CD1 3.66Å; V438-I508 HydrophobicContact CG1-CG1 3.92Å; L439-I508 PolarHBondContact O-N 3.06Å; V440-I508 CarbonylContact C-O 3.53Å; V440-I508 VanDerWaalsContact CA-O 3.3Å; V440-I508 WeakPolarHBondContact CA-O 3.28Å; V440-I508 HydrophobicContact CG2-CB 4.36Å; F441-I508 PolarHBondContact N-O 3.4Å; I508-I536 CarbonylContact C-O 3.58Å; I508-I536 VanDerWaalsContact CA-O 3.23Å; I508-I536 WeakPolarHBondContact CA-O 3.49Å; I508-I536 HydrophobicContact CG1-CB 4.48Å; I508-L538 HydrophobicContact CG2-CD1 4.11Å; I508-L538 HydrophobicContact CG2-CG 3.99Å
509	N	95.2	Very high	82.5	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	120.6	173.6	-62.2	-48.7	0	0	0	109.7	G511 R522 I536 T537 L538	N509-G511 PolarHBondContact O-N 3.48Å; N509-R522 WeakPolarHBondContact OD1-CB 3.17Å; N509-R522 WeakPolarHBondContact OD1-CD 3.2Å; N509-I536 PolarHBondContact N-O 3.21Å; N509-T537 HydrophobicContact CB-CG2 4.03Å; N509-T537 PolarHBondContact ND2-OG1 3.42Å; N509-T537 VanDerWaalsContact ND2-OG1 3.17Å; N509-L538 PolarHBondContact O-N 2.87Å
510	I	94.3	Very high	83.2	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	109.4	168.1	-54.6	-175.7	0	0	0	108.2	V412 L416 V440 F441 E447 I451 L543	V412-I510 HydrophobicContact CG1-CG2 3.61Å; L416-I510 HydrophobicContact CD2-CD1 3.85Å; V440-I510 HydrophobicContact CG1-CD1 3.76Å; V440-I510 HydrophobicContact CG1-CG1 3.87Å; F441-I510 WeakPolarHBondContact O-CB 3.01Å; F441-I510 PolarHBondContact O-N 2.88Å; E447-I510 WeakPolarHBondContact OE1-CG2 3.35Å; I451-I510 HydrophobicContact CD1-CD1 3.82Å; I451-I510 HydrophobicContact CG1-CD1 3.8Å; I451-I510 HydrophobicContact CG2-CD1 4.24Å; I510-L543 HydrophobicContact CG2-CD1 4.5Å
511	G	91.8	Very high	83.9	Confident	4 Å²	4	25.5 Å²	25.5	4%	0.041	13%	0.134	C	C	.	.	S	Bend	trans	67.8	178.7	-172.5	0	0	0	0	0	113.3	N509 L538	N509-G511 PolarHBondContact O-N 3.48Å; G511-L538 WeakPolarHBondContact CA-O 3.45Å; G511-L538 PolarHBondContact N-O 3.41Å
512	L	91.7	Very high	84.7	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.133	C	C	.	.			trans	-79.9	147.1	175.3	-63.3	-178.8	0	0	0	110.5	N443 T537 L544 Q547 V553 S554 I557 L574	N443-L512 PolarHBondContact ND2-O 3.45Å; N443-L512 PolarHBondContact OD1-O 3.05Å; L512-T537 HydrophobicContact CD2-CG2 4.07Å; L512-L544 HydrophobicContact CD1-CD2 3.49Å; L512-L544 VanDerWaalsContact CD1-CD2 3.49Å; L512-L544 HydrophobicContact CG-CD2 3.84Å; L512-Q547 PolarHBondContact O-OE1 3Å; L512-Q547 VanDerWaalsContact O-OE1 3.12Å; L512-V553 HydrophobicContact CB-CG1 4.18Å; L512-V553 HydrophobicContact CD1-CB 4.38Å; L512-V553 HydrophobicContact CD1-CG1 4.33Å; L512-V553 HydrophobicContact CD2-CG1 4.47Å; L512-S554 WeakPolarHBondContact CD1-OG 3.27Å; L512-I557 HydrophobicContact CD2-CD1 3.61Å; L512-L574 HydrophobicContact CD1-CD1 3.81Å; L512-L574 HydrophobicContact CD2-CD1 4.41Å
513	P	89.5	Confident	85.9	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.			trans	-65.5	167.5	164.8	24	-27.2	0	0	0	111.6	E515 D518 Y519 V553	P513-E515 VanDerWaalsContact C-N 3.28Å; P513-E515 WeakPolarHBondContact CG-O 3.21Å; P513-E515 PolarHBondContact O-N 3.45Å; P513-D518 HydrophobicContact CB-CB 3.68Å; P513-D518 HydrophobicContact CG-CB 4.35Å; P513-Y519 VanDerWaalsContact CG-CB 3.49Å; P513-V553 HydrophobicContact CG-CG1 4.23Å; P513-V553 VanDerWaalsContact O-CG2 3.26Å; P513-V553 WeakPolarHBondContact O-CG2 3.5Å
514	N	85	Confident	86.4	Confident	91 Å²	91	20.1 Å²	20.1	49%	0.487	11%	0.105	S	C	.	.	S	Bend	trans	-73.1	-22	176	-64	-30.1	0	0	0	113.5	S549	N514-S549 WeakPolarHBondContact O-CB 3.32Å
515	E	82.2	Confident	86.3	Confident	104 Å²	104	20.7 Å²	20.7	49%	0.486	11%	0.107	S	C	.	.	S	Bend	trans	-136.8	148.6	-176.6	-65.3	177	168.7	0	0	109.5	P513 D517 D518 Y519	P513-E515 VanDerWaalsContact C-N 3.28Å; P513-E515 WeakPolarHBondContact CG-O 3.21Å; P513-E515 PolarHBondContact O-N 3.45Å; E515-D517 VanDerWaalsContact C-N 3.33Å; E515-D517 PolarHBondContact O-N 3.19Å; E515-D518 WeakPolarHBondContact O-CB 3.17Å; E515-D518 PolarHBondContact O-N 2.85Å; E515-Y519 PolarHBondContact O-N 3.01Å
516	L	82.7	Confident	86.2	Confident	31 Å²	31	18.2 Å²	18.2	16%	0.162	10%	0.096	C	C	.	.	H	α-helix	trans	-65	-37.4	-179.5	-176	62.9	0	0	0	112	L389 D518 Y519 V520 I557 L560	L389-L516 HydrophobicContact CD1-CB 4.47Å; L389-L516 HydrophobicContact CD1-CD2 3.39Å; L389-L516 HydrophobicContact CD1-CG 3.8Å; L516-D518 PolarHBondContact O-N 2.74Å; L516-Y519 WeakPolarHBondContact O-CA 3.4Å; L516-Y519 VanDerWaalsContact O-CB 3.24Å; L516-Y519 WeakPolarHBondContact O-CB 3.45Å; L516-Y519 PolarHBondContact O-N 3.37Å; L516-V520 PolarHBondContact O-N 2.83Å; L516-V520 VanDerWaalsContact O-N 3.13Å; L516-I557 HydrophobicContact CD1-CG1 3.93Å; L516-L560 HydrophobicContact CD1-CD1 3.84Å; L516-L560 HydrophobicContact CG-CD1 4.45Å
517	D	75.4	Confident	85.2	Confident	42 Å²	42	18.5 Å²	18.5	23%	0.225	10%	0.099	C	C	.	.	H	α-helix	trans	-61.2	-37.3	178.3	-62	4.1	0	0	0	111.3	L389 E515 Y519 V520 H521	L389-D517 HydrophobicContact CD2-CB 4.46Å; L389-D517 VanDerWaalsContact CD2-OD1 3.26Å; L389-D517 WeakPolarHBondContact CD2-OD1 3.29Å; E515-D517 VanDerWaalsContact C-N 3.33Å; E515-D517 PolarHBondContact O-N 3.19Å; D517-Y519 VanDerWaalsContact C-N 3.32Å; D517-Y519 PolarHBondContact O-N 3.03Å; D517-V520 PolarHBondContact O-N 2.79Å; D517-H521 WeakPolarHBondContact O-CB 3.36Å; D517-H521 PolarHBondContact O-N 2.86Å; D517-H521 PolarHBondContact O-ND1 3.17Å; D517-H521 VanDerWaalsContact O-ND1 3.11Å
518	D	81.8	Confident	84	Confident	15 Å²	15	20 Å²	20	8%	0.08	10%	0.104	C	C	.	.	H	α-helix	trans	-63.9	-37.1	173.7	-93.1	-16.7	0	0	0	112.1	R497 P513 E515 L516 H521 R522	R497-D518 IonicContact CZ-OD1 3.88Å; R497-D518 IonicContact NE-OD1 2.75Å; R497-D518 PolarHBondContact NE-OD1 3.42Å; R497-D518 VanDerWaalsContact NH2-CG 3.27Å; R497-D518 IonicContact NH2-OD1 3.79Å; R497-D518 PolarHBondContact NH2-OD1 3.35Å; R497-D518 IonicContact NH2-OD2 3.76Å; R497-D518 PolarHBondContact NH2-OD2 3.49Å; P513-D518 HydrophobicContact CB-CB 3.68Å; P513-D518 HydrophobicContact CG-CB 4.35Å; E515-D518 WeakPolarHBondContact O-CB 3.17Å; E515-D518 PolarHBondContact O-N 2.85Å; L516-D518 PolarHBondContact O-N 2.74Å; D518-H521 PolarHBondContact O-N 2.79Å; D518-R522 WeakPolarHBondContact O-CB 3.48Å; D518-R522 WeakPolarHBondContact O-CG 3.28Å; D518-R522 PolarHBondContact O-N 2.9Å
519	Y	87.1	Confident	82.4	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.1	-52.4	174.1	174.6	-100.6	0	0	0	110.6	Q399 F401 P513 E515 L516 D517 H521 R522 I523 I557 L560	Q399-Y519 PolarHBondContact OE1-OH 3.43Å; F401-Y519 HydrophobicContact CE1-CE2 4.5Å; P513-Y519 VanDerWaalsContact CG-CB 3.49Å; E515-Y519 PolarHBondContact O-N 3.01Å; L516-Y519 WeakPolarHBondContact O-CA 3.4Å; L516-Y519 VanDerWaalsContact O-CB 3.24Å; L516-Y519 WeakPolarHBondContact O-CB 3.45Å; L516-Y519 PolarHBondContact O-N 3.37Å; D517-Y519 VanDerWaalsContact C-N 3.32Å; D517-Y519 PolarHBondContact O-N 3.03Å; Y519-H521 VanDerWaalsContact C-N 3.32Å; Y519-H521 PolarHBondContact O-N 2.82Å; Y519-R522 PolarHBondContact O-N 3.34Å; Y519-R522 VanDerWaalsContact O-N 3.17Å; Y519-I523 HydrophobicContact CD1-CD1 4.29Å; Y519-I523 HydrophobicContact CD2-CG2 4.44Å; Y519-I523 HydrophobicContact CE1-CD1 3.74Å; Y519-I523 HydrophobicContact CE1-CG2 4.44Å; Y519-I523 HydrophobicContact CE2-CG2 4.05Å; Y519-I523 WeakPolarHBondContact O-CG1 3.28Å; Y519-I523 PolarHBondContact O-N 3.15Å; Y519-I557 HydrophobicContact CD1-CD1 4.37Å; Y519-I557 HydrophobicContact CD1-CG1 4.07Å; Y519-I557 HydrophobicContact CD2-CD1 3.92Å; Y519-I557 HydrophobicContact CE1-CD1 4.46Å; Y519-I557 HydrophobicContact CE1-CG1 4.15Å; Y519-I557 HydrophobicContact CE2-CD1 4Å; Y519-I557 HydrophobicContact CG-CD1 4.1Å; Y519-I557 HydrophobicContact CG-CG1 4.26Å; Y519-L560 HydrophobicContact CD1-CD1 4.37Å; Y519-L560 HydrophobicContact CE1-CD1 4.46Å
520	V	81.9	Confident	80.7	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.012	14%	0.136	C	C	.	.	H	α-helix	trans	-59.5	-43.4	180	175.1	0	0	0	0	111.3	L389 I392 I393 L516 D517 R522 I523 G524 L560	L389-V520 HydrophobicContact CB-CG2 4.3Å; L389-V520 HydrophobicContact CD2-CB 4.19Å; L389-V520 HydrophobicContact CD2-CG1 4.41Å; L389-V520 HydrophobicContact CD2-CG2 3.85Å; I392-V520 HydrophobicContact CB-CG1 3.67Å; I392-V520 HydrophobicContact CD1-CG1 4.22Å; I392-V520 HydrophobicContact CG2-CG1 3.47Å; I392-V520 VanDerWaalsContact CG2-CG1 3.47Å; I393-V520 HydrophobicContact CD1-CG2 4.07Å; I393-V520 HydrophobicContact CG1-CB 4.5Å; I393-V520 HydrophobicContact CG1-CG1 3.8Å; I393-V520 HydrophobicContact CG1-CG2 4.21Å; L516-V520 PolarHBondContact O-N 2.83Å; L516-V520 VanDerWaalsContact O-N 3.13Å; D517-V520 PolarHBondContact O-N 2.79Å; V520-R522 PolarHBondContact O-N 3.04Å; V520-I523 VanDerWaalsContact O-CG1 3.3Å; V520-I523 WeakPolarHBondContact O-CG1 3.33Å; V520-G524 PolarHBondContact O-N 3.27Å; V520-L560 HydrophobicContact CG2-CD1 4.12Å
521	H	77.2	Confident	79.4	Confident	43 Å²	43	26.8 Å²	26.8	20%	0.199	15%	0.145	C	C	.	.	H	α-helix	trans	-69	-31	177.7	-68.6	151	0	0	0	114.4	D517 D518 Y519 R525	D517-H521 WeakPolarHBondContact O-CB 3.36Å; D517-H521 PolarHBondContact O-N 2.86Å; D517-H521 PolarHBondContact O-ND1 3.17Å; D517-H521 VanDerWaalsContact O-ND1 3.11Å; D518-H521 PolarHBondContact O-N 2.79Å; Y519-H521 VanDerWaalsContact C-N 3.32Å; Y519-H521 PolarHBondContact O-N 2.82Å; H521-R525 PolarHBondContact O-NE 3.31Å
522	R	86.4	Confident	78.6	Confident	5 Å²	5	31.4 Å²	31.4	2%	0.019	18%	0.177	C	C	.	.	H	α-helix	trans	-69.2	-51.8	174.9	-75.3	175.8	-169.9	-168.9	6.6	110	F441 N443 S493 V507 N509 D518 Y519 V520 G524 R525	F441-R522 HydrophobicContact CB-CG 4.34Å; F441-R522 HydrophobicContact CD1-CG 3.78Å; F441-R522 HydrophobicContact CD2-CB 3.71Å; F441-R522 HydrophobicContact CD2-CG 3.63Å; F441-R522 HydrophobicContact CE1-CG 3.83Å; F441-R522 HydrophobicContact CE2-CB 3.68Å; F441-R522 HydrophobicContact CE2-CG 3.72Å; F441-R522 HydrophobicContact CG-CB 4.24Å; F441-R522 HydrophobicContact CG-CG 3.65Å; F441-R522 HydrophobicContact CZ-CB 4.19Å; F441-R522 HydrophobicContact CZ-CG 3.82Å; N443-R522 PolarHBondContact OD1-NH2 2.96Å; S493-R522 PolarHBondContact OG-NE 3.33Å; S493-R522 PolarHBondContact OG-NH2 2.87Å; V507-R522 WeakPolarHBondContact CG1-O 3.32Å; N509-R522 WeakPolarHBondContact OD1-CB 3.17Å; N509-R522 WeakPolarHBondContact OD1-CD 3.2Å; D518-R522 WeakPolarHBondContact O-CB 3.48Å; D518-R522 WeakPolarHBondContact O-CG 3.28Å; D518-R522 PolarHBondContact O-N 2.9Å; Y519-R522 PolarHBondContact O-N 3.34Å; Y519-R522 VanDerWaalsContact O-N 3.17Å; V520-R522 PolarHBondContact O-N 3.04Å; R522-G524 VanDerWaalsContact C-N 3.32Å; R522-G524 PolarHBondContact O-N 3.19Å; R522-R525 VanDerWaalsContact O-CB 3.27Å; R522-R525 WeakPolarHBondContact O-CB 3.47Å; R522-R525 WeakPolarHBondContact O-CG 3.47Å; R522-R525 PolarHBondContact O-N 3.34Å; R522-R525 VanDerWaalsContact O-N 3.14Å
523	I	86.4	Confident	78.2	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.2	-35.2	-178.1	67.4	175.3	0	0	0	111.7	I393 I397 Q399 Y519 V520 R525 T526 A535	I393-I523 HydrophobicContact CD1-CD1 4Å; I393-I523 HydrophobicContact CG1-CD1 4.05Å; I393-I523 HydrophobicContact CG2-CD1 3.98Å; I397-I523 WeakPolarHBondContact CD1-O 3.44Å; Q399-I523 HydrophobicContact CG-CD1 4.18Å; Y519-I523 HydrophobicContact CD1-CD1 4.29Å; Y519-I523 HydrophobicContact CD2-CG2 4.44Å; Y519-I523 HydrophobicContact CE1-CD1 3.74Å; Y519-I523 HydrophobicContact CE1-CG2 4.44Å; Y519-I523 HydrophobicContact CE2-CG2 4.05Å; Y519-I523 WeakPolarHBondContact O-CG1 3.28Å; Y519-I523 PolarHBondContact O-N 3.15Å; V520-I523 VanDerWaalsContact O-CG1 3.3Å; V520-I523 WeakPolarHBondContact O-CG1 3.33Å; I523-R525 PolarHBondContact O-N 3.41Å; I523-T526 VanDerWaalsContact O-CG2 3.29Å; I523-T526 WeakPolarHBondContact O-CG2 3.28Å; I523-T526 PolarHBondContact O-N 3.25Å; I523-A535 HydrophobicContact CB-CB 3.8Å; I523-A535 HydrophobicContact CG2-CB 3.65Å
524	G	78.8	Confident	78.2	Confident	19 Å²	19	33.7 Å²	33.7	20%	0.196	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	7	173.5	0	0	0	0	0	115.6	V520 R522 T526 R528	V520-G524 PolarHBondContact O-N 3.27Å; R522-G524 VanDerWaalsContact C-N 3.32Å; R522-G524 PolarHBondContact O-N 3.19Å; G524-T526 CarbonylContact C-O 3.56Å; G524-R528 PolarHBondContact O-NE 3.43Å; G524-R528 PolarHBondContact O-NH2 3.21Å
525	R	81	Confident	78.6	Confident	23 Å²	23	29.4 Å²	29.4	9%	0.087	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-23	167.6	-59.1	-69.6	152.4	-172.8	-8.2	112.2	L439 F441 I499 V504 V507 H521 R522 I523	L439-R525 HydrophobicContact CD2-CB 3.64Å; L439-R525 HydrophobicContact CD2-CG 3.72Å; F441-R525 HydrophobicContact CE2-CG 4.06Å; F441-R525 HydrophobicContact CZ-CG 4.08Å; I499-R525 PolarHBondContact O-NH1 3.41Å; V504-R525 WeakPolarHBondContact CB-O 3.41Å; V507-R525 HydrophobicContact CG2-CB 3.77Å; H521-R525 PolarHBondContact O-NE 3.31Å; R522-R525 VanDerWaalsContact O-CB 3.27Å; R522-R525 WeakPolarHBondContact O-CB 3.47Å; R522-R525 WeakPolarHBondContact O-CG 3.47Å; R522-R525 PolarHBondContact O-N 3.34Å; R522-R525 VanDerWaalsContact O-N 3.14Å; I523-R525 PolarHBondContact O-N 3.41Å
526	T	81.8	Confident	79.2	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.006	14%	0.143	C	C	.	.	S	Bend	trans	-102.5	174.6	167.1	-170.6	0	0	0	0	110.4	I397 V504 F505 V507 I523 G524 G533 E534	I397-T526 HydrophobicContact CD1-CG2 4.3Å; I397-T526 WeakPolarHBondContact CD1-O 3.08Å; I397-T526 HydrophobicContact CG1-CG2 4.46Å; I397-T526 HydrophobicContact CG2-CG2 4.11Å; V504-T526 PolarHBondContact O-OG1 2.82Å; F505-T526 PolarHBondContact O-OG1 3.47Å; V507-T526 HydrophobicContact CB-CG2 4.36Å; V507-T526 HydrophobicContact CG2-CG2 3.87Å; I523-T526 VanDerWaalsContact O-CG2 3.29Å; I523-T526 WeakPolarHBondContact O-CG2 3.28Å; I523-T526 PolarHBondContact O-N 3.25Å; G524-T526 CarbonylContact C-O 3.56Å; T526-G533 WeakPolarHBondContact OG1-CA 3.34Å; T526-E534 WeakPolarHBondContact CG2-O 2.98Å
527	G	71.5	Confident	79.8	Confident	6 Å²	6	23.1 Å²	23.1	6%	0.062	14%	0.135	C	C	.	.	S	Bend	trans	73.7	28.5	174.5	0	0	0	0	0	115	K531	G527-K531 CarbonylContact C-O 3.55Å; G527-K531 WeakPolarHBondContact CA-O 3.41Å
528	R	66.8	Low	80.7	Confident	30 Å²	30	21.1 Å²	21.1	11%	0.113	13%	0.125	C	C	.	.			trans	-89.9	148.5	-176.1	-64.7	-177.2	176.3	-163.2	-4.7	111.6	T178 D500 G524 G530 K531	T178-R528 PolarHBondContact OG1-NH2 3.47Å; D500-R528 IonicContact OD1-NH1 3.87Å; D500-R528 PolarHBondContact OD1-NH1 2.88Å; G524-R528 PolarHBondContact O-NE 3.43Å; G524-R528 PolarHBondContact O-NH2 3.21Å; R528-G530 VanDerWaalsContact C-N 3.32Å; R528-G530 PolarHBondContact O-N 3.31Å; R528-K531 WeakPolarHBondContact O-CB 3.22Å; R528-K531 PolarHBondContact O-N 3.13Å
529	M	61	Low	81.3	Confident	66 Å²	66	20.5 Å²	20.5	33%	0.325	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	38.5	175.9	-55.9	-65.6	-113.8	0	0	113.7	Y79 T128 G179 K531	Y79-M529 HydrophobicContact CD1-CE 3.9Å; Y79-M529 HydrophobicContact CD1-SD 3.77Å; Y79-M529 VanDerWaalsContact CD2-C 3.47Å; Y79-M529 HydrophobicContact CD2-CB 4.12Å; Y79-M529 HydrophobicContact CD2-SD 4.32Å; Y79-M529 HydrophobicContact CE1-CE 3.85Å; Y79-M529 HydrophobicContact CE1-SD 3.47Å; Y79-M529 WeakPolarHBondContact CE1-SD 3.4Å; Y79-M529 HydrophobicContact CE2-SD 4.08Å; Y79-M529 HydrophobicContact CG-CB 4.14Å; Y79-M529 HydrophobicContact CG-SD 4.17Å; T128-M529 HydrophobicContact CG2-CE 4.48Å; G179-M529 VanDerWaalsContact C-SD 3.57Å; G179-M529 WeakPolarHBondContact O-CE 3.41Å; M529-K531 PolarHBondContact O-N 2.86Å
530	G	60.8	Low	81.5	Confident	33 Å²	33	20.9 Å²	20.9	34%	0.34	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	-2.6	179.4	0	0	0	0	0	115.2	R528	R528-G530 VanDerWaalsContact C-N 3.32Å; R528-G530 PolarHBondContact O-N 3.31Å
531	K	66.8	Low	81.8	Confident	46 Å²	46	24.6 Å²	24.6	20%	0.2	14%	0.14	C	C	.	.			trans	-68.2	141.6	170.3	-64.7	-167.6	178.1	-135.6	0	109.8	D75 E433 G527 R528 M529	D75-K531 HydrophobicContact CB-CG 4.44Å; D75-K531 WeakPolarHBondContact OD2-CE 3.34Å; D75-K531 IonicContact OD2-NZ 2.99Å; D75-K531 PolarHBondContact OD2-NZ 3.46Å; E433-K531 IonicContact OE1-NZ 2.74Å; G527-K531 CarbonylContact C-O 3.55Å; G527-K531 WeakPolarHBondContact CA-O 3.41Å; R528-K531 WeakPolarHBondContact O-CB 3.22Å; R528-K531 PolarHBondContact O-N 3.13Å; M529-K531 PolarHBondContact O-N 2.86Å
532	S	75.8	Confident	82.3	Confident	102 Å²	102	25.2 Å²	25.2	71%	0.713	15%	0.147	S	C	*	.			trans	-66.2	145.2	165.8	57.7	0	0	0	0	110.4	E396	E396-S532 WeakPolarHBondContact O-CA 3.17Å
533	G	81.9	Confident	82.3	Confident	3 Å²	3	26.5 Å²	26.5	3%	0.031	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.4	177.4	0	0	0	0	0	112.3	E396 I397 N398 T526	E396-G533 PolarHBondContact O-N 2.92Å; E396-G533 VanDerWaalsContact O-N 3.08Å; I397-G533 CarbonylContact C-O 3.55Å; I397-G533 WeakPolarHBondContact CA-O 3.46Å; N398-G533 PolarHBondContact N-O 3.02Å; T526-G533 WeakPolarHBondContact OG1-CA 3.34Å
534	E	90	Very high	82.3	Confident	46 Å²	46	26.8 Å²	26.8	22%	0.215	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	130.4	171.2	-66.8	-164.8	153.9	0	0	111.1	F505 A506 V507 T526	F505-E534 PolarHBondContact O-N 3.4Å; F505-E534 VanDerWaalsContact O-N 3.13Å; A506-E534 CarbonylContact C-O 3.55Å; A506-E534 VanDerWaalsContact CA-O 3.22Å; A506-E534 WeakPolarHBondContact CA-O 3.44Å; A506-E534 HydrophobicContact CB-CB 4.08Å; V507-E534 PolarHBondContact N-O 2.97Å; T526-E534 WeakPolarHBondContact CG2-O 2.98Å
535	A	92.5	Very high	82.5	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	105.2	174.1	0	0	0	0	0	109.6	I397 N398 Q399 Q400 V507 I523	I397-A535 HydrophobicContact CG2-CB 3.6Å; N398-A535 PolarHBondContact O-N 2.75Å; Q399-A535 CarbonylContact C-O 3.56Å; Q399-A535 WeakPolarHBondContact CA-O 3.29Å; Q399-A535 HydrophobicContact CG-CB 4.16Å; Q400-A535 PolarHBondContact N-O 3.34Å; V507-A535 CarbonylContact O-C 3.54Å; V507-A535 WeakPolarHBondContact O-CA 3.37Å; I523-A535 HydrophobicContact CB-CB 3.8Å; I523-A535 HydrophobicContact CG2-CB 3.65Å
536	I	95.1	Very high	82.6	Confident	3 Å²	3	37 Å²	37	2%	0.015	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	128.9	-179.2	-53.6	-173.4	0	0	0	109.2	Q400 Q402 L419 M423 V507 I508 N509 L538	Q400-I536 HydrophobicContact CB-CG1 4.43Å; Q400-I536 CarbonylContact O-C 3.23Å; Q400-I536 WeakPolarHBondContact O-CA 3.47Å; Q402-I536 HydrophobicContact CG-CG2 4Å; L419-I536 HydrophobicContact CD1-CG2 4.4Å; M423-I536 HydrophobicContact CE-CD1 3.23Å; M423-I536 HydrophobicContact CE-CG1 4.15Å; V507-I536 PolarHBondContact O-N 3.38Å; I508-I536 CarbonylContact C-O 3.58Å; I508-I536 VanDerWaalsContact CA-O 3.23Å; I508-I536 WeakPolarHBondContact CA-O 3.49Å; I508-I536 HydrophobicContact CG1-CB 4.48Å; N509-I536 PolarHBondContact N-O 3.21Å; I536-L538 HydrophobicContact CG2-CD2 4.07Å
537	T	95.7	Very high	82.4	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	117	174.3	-59.7	0	0	0	0	110	Q400 F401 Q402 N509 L512 I539	Q400-T537 PolarHBondContact O-N 2.81Å; F401-T537 WeakPolarHBondContact CA-O 3.32Å; F401-T537 HydrophobicContact CD1-CG2 4.04Å; F401-T537 HydrophobicContact CE1-CG2 4.16Å; Q402-T537 PolarHBondContact N-O 2.8Å; N509-T537 HydrophobicContact CB-CG2 4.03Å; N509-T537 PolarHBondContact ND2-OG1 3.42Å; N509-T537 VanDerWaalsContact ND2-OG1 3.17Å; L512-T537 HydrophobicContact CD2-CG2 4.07Å; T537-I539 HydrophobicContact CG2-CG1 4.3Å
538	L	95.3	Very high	82.6	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.1	176.6	-55.1	-173.3	0	0	0	108.9	Q402 V404 V412 L416 L419 I508 N509 G511 I536	Q402-L538 HydrophobicContact CB-CD2 4.05Å; Q402-L538 WeakPolarHBondContact O-CA 3.26Å; V404-L538 HydrophobicContact CG2-CB 4.43Å; V412-L538 HydrophobicContact CG1-CD1 4.35Å; L416-L538 HydrophobicContact CB-CD1 4.23Å; L416-L538 HydrophobicContact CD1-CD1 4.4Å; L419-L538 HydrophobicContact CD1-CD2 3.68Å; I508-L538 HydrophobicContact CG2-CD1 4.11Å; I508-L538 HydrophobicContact CG2-CG 3.99Å; N509-L538 PolarHBondContact O-N 2.87Å; G511-L538 WeakPolarHBondContact CA-O 3.45Å; G511-L538 PolarHBondContact N-O 3.41Å; I536-L538 HydrophobicContact CG2-CD2 4.07Å
539	I	92.7	Very high	83.3	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	129.9	180	-60.7	177.1	0	0	0	108	F401 Q402 V403 V404 T537 L544 P571 L573 L574	F401-I539 HydrophobicContact CB-CD1 4.02Å; F401-I539 HydrophobicContact CD1-CD1 3.69Å; F401-I539 HydrophobicContact CD1-CG1 4.37Å; F401-I539 HydrophobicContact CG-CD1 4.16Å; Q402-I539 PolarHBondContact O-N 2.82Å; V403-I539 CarbonylContact C-O 3.54Å; V403-I539 WeakPolarHBondContact CA-O 3.45Å; V404-I539 PolarHBondContact N-O 2.99Å; T537-I539 HydrophobicContact CG2-CG1 4.3Å; I539-L544 HydrophobicContact CG2-CD1 3.48Å; I539-L544 VanDerWaalsContact CG2-CD1 3.48Å; I539-L544 HydrophobicContact CG2-CD2 4.32Å; I539-L544 HydrophobicContact CG2-CG 3.93Å; I539-P571 HydrophobicContact CD1-CG 4.31Å; I539-L573 HydrophobicContact CG2-CD2 3.85Å; I539-L574 HydrophobicContact CD1-CB 4.19Å; I539-L574 HydrophobicContact CD1-CD1 4.02Å; I539-L574 HydrophobicContact CD1-CD2 4.23Å; I539-L574 HydrophobicContact CD1-CG 4.39Å
540	H	92.1	Very high	84.4	Confident	7 Å²	7	37.5 Å²	37.5	3%	0.032	21%	0.206	C	C	.	.			trans	-129.9	135.2	171.5	-172.2	-75.5	0	0	0	108.7	V404 G406 V412 T542 L543 L544	V404-H540 PolarHBondContact O-CD2 3.2Å; G406-H540 PolarHBondContact O-CE1 3.42Å; G406-H540 PolarHBondContact O-NE2 2.71Å; V412-H540 HydrophobicContact CG2-CB 4.18Å; H540-T542 PolarHBondContact CE1-OG1 2.89Å; H540-T542 WeakPolarHBondContact ND1-CB 3.28Å; H540-T542 PolarHBondContact ND1-N 3.3Å; H540-T542 VanDerWaalsContact ND1-N 3.15Å; H540-T542 PolarHBondContact ND1-OG1 3.4Å; H540-T542 PolarHBondContact O-N 3.09Å; H540-L543 HydrophobicContact CB-CB 4.21Å; H540-L543 HydrophobicContact CB-CD1 3.87Å; H540-L543 HydrophobicContact CB-CG 3.95Å; H540-L543 PolarHBondContact O-N 3.05Å; H540-L544 PolarHBondContact O-N 3.22Å
541	E	88.8	Confident	85.4	Confident	81 Å²	81	38.6 Å²	38.6	38%	0.379	20%	0.2	S	C	.	.	H	α-helix	trans	-56	-47.9	-174.3	-172.5	-175.4	170.2	0	0	112.1	L543 L544 K545 L573	E541-L543 VanDerWaalsContact C-N 3.32Å; E541-L543 PolarHBondContact O-N 3.23Å; E541-L544 WeakPolarHBondContact O-CB 3.39Å; E541-L544 PolarHBondContact O-N 3.08Å; E541-K545 PolarHBondContact O-N 3.37Å; E541-K545 WeakPolarHBondContact OE1-CE 3.28Å; E541-K545 IonicContact OE1-NZ 2.67Å; E541-K545 PolarHBondContact OE1-NZ 3.2Å; E541-L573 HydrophobicContact CB-CD2 4.37Å; E541-L573 HydrophobicContact CG-CD1 4.38Å
542	T	88.1	Confident	86.1	Confident	55 Å²	55	39.2 Å²	39.2	34%	0.337	21%	0.208	S	C	.	.	H	α-helix	trans	-59.9	-38.5	176.9	-44.7	0	0	0	0	113.1	P408 H540 K545 Q546	P408-T542 HydrophobicContact CG-CG2 4.37Å; H540-T542 PolarHBondContact CE1-OG1 2.89Å; H540-T542 WeakPolarHBondContact ND1-CB 3.28Å; H540-T542 PolarHBondContact ND1-N 3.3Å; H540-T542 VanDerWaalsContact ND1-N 3.15Å; H540-T542 PolarHBondContact ND1-OG1 3.4Å; H540-T542 PolarHBondContact O-N 3.09Å; T542-K545 PolarHBondContact O-N 3.28Å; T542-Q546 HydrophobicContact CG2-CG 4.44Å; T542-Q546 WeakPolarHBondContact O-CB 3.36Å; T542-Q546 WeakPolarHBondContact O-CG 3.36Å; T542-Q546 PolarHBondContact O-N 2.72Å
543	L	85.3	Confident	86.6	Confident	33 Å²	33	34.4 Å²	34.4	17%	0.173	17%	0.174	C	C	.	.	H	α-helix	trans	-69	-37	179	-65.7	178.8	0	0	0	111.2	P408 V412 I510 H540 E541 Q546 Q547	P408-L543 HydrophobicContact CB-CG 4.46Å; V412-L543 HydrophobicContact CG2-CD1 4.35Å; I510-L543 HydrophobicContact CG2-CD1 4.5Å; H540-L543 HydrophobicContact CB-CB 4.21Å; H540-L543 HydrophobicContact CB-CD1 3.87Å; H540-L543 HydrophobicContact CB-CG 3.95Å; H540-L543 PolarHBondContact O-N 3.05Å; E541-L543 VanDerWaalsContact C-N 3.32Å; E541-L543 PolarHBondContact O-N 3.23Å; L543-Q546 PolarHBondContact O-N 2.97Å; L543-Q547 PolarHBondContact O-N 3.39Å
544	L	86.2	Confident	86.9	Confident	6 Å²	6	34.3 Å²	34.3	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-63.5	-44.6	172.7	-68.4	178.9	0	0	0	111.5	L512 I539 H540 E541 Q546 Q547 S550 L573 Y577	L512-L544 HydrophobicContact CD1-CD2 3.49Å; L512-L544 VanDerWaalsContact CD1-CD2 3.49Å; L512-L544 HydrophobicContact CG-CD2 3.84Å; I539-L544 HydrophobicContact CG2-CD1 3.48Å; I539-L544 VanDerWaalsContact CG2-CD1 3.48Å; I539-L544 HydrophobicContact CG2-CD2 4.32Å; I539-L544 HydrophobicContact CG2-CG 3.93Å; H540-L544 PolarHBondContact O-N 3.22Å; E541-L544 WeakPolarHBondContact O-CB 3.39Å; E541-L544 PolarHBondContact O-N 3.08Å; L544-Q546 VanDerWaalsContact C-N 3.34Å; L544-Q546 PolarHBondContact O-N 3.25Å; L544-Q547 PolarHBondContact O-N 3.27Å; L544-S550 WeakPolarHBondContact O-CB 3.28Å; L544-S550 PolarHBondContact O-OG 2.63Å; L544-L573 HydrophobicContact CD1-CD2 4.08Å; L544-L573 HydrophobicContact CD1-CG 4.04Å; L544-Y577 HydrophobicContact CB-CD1 4.1Å; L544-Y577 HydrophobicContact CB-CE1 3.72Å; L544-Y577 HydrophobicContact CB-CE2 4.41Å; L544-Y577 HydrophobicContact CD1-CD1 4.48Å; L544-Y577 HydrophobicContact CD1-CD2 4.04Å; L544-Y577 HydrophobicContact CD1-CE2 4.19Å; L544-Y577 HydrophobicContact CD1-CG 4.18Å
545	K	84.4	Confident	86.6	Confident	125 Å²	125	34.5 Å²	34.5	54%	0.543	17%	0.172	S	C	.	.	H	α-helix	trans	-62.4	-38.2	177.4	-70.6	-175.1	-176.3	172.9	0	112.7	E541 T542 Q547 Y577	E541-K545 PolarHBondContact O-N 3.37Å; E541-K545 WeakPolarHBondContact OE1-CE 3.28Å; E541-K545 IonicContact OE1-NZ 2.67Å; E541-K545 PolarHBondContact OE1-NZ 3.2Å; T542-K545 PolarHBondContact O-N 3.28Å; K545-Q547 VanDerWaalsContact C-N 3.25Å; K545-Q547 PolarHBondContact O-N 2.96Å; K545-Y577 VanDerWaalsContact CE-OH 3.3Å; K545-Y577 WeakPolarHBondContact CE-OH 3.38Å; K545-Y577 WeakPolarHBondContact CG-OH 3.44Å
546	Q	81.6	Confident	86.1	Confident	130 Å²	130	34.8 Å²	34.8	61%	0.607	17%	0.174	S	C	*	.	H	α-helix	trans	-71.4	-18.9	-176.9	-76.8	173.8	-0.5	0	0	113.6	T542 L543 L544	T542-Q546 HydrophobicContact CG2-CG 4.44Å; T542-Q546 WeakPolarHBondContact O-CB 3.36Å; T542-Q546 WeakPolarHBondContact O-CG 3.36Å; T542-Q546 PolarHBondContact O-N 2.72Å; L543-Q546 PolarHBondContact O-N 2.97Å; L544-Q546 VanDerWaalsContact C-N 3.34Å; L544-Q546 PolarHBondContact O-N 3.25Å
547	Q	77.9	Confident	85.7	Confident	34 Å²	34	34.6 Å²	34.6	16%	0.159	17%	0.173	C	C	.	.			trans	-113.1	106.5	-174	-72	-174.6	-15.7	0	0	110.9	N443 L512 L543 L544 K545 S549 S550	N443-Q547 PolarHBondContact ND2-NE2 3.46Å; L512-Q547 PolarHBondContact O-OE1 3Å; L512-Q547 VanDerWaalsContact O-OE1 3.12Å; L543-Q547 PolarHBondContact O-N 3.39Å; L544-Q547 PolarHBondContact O-N 3.27Å; K545-Q547 VanDerWaalsContact C-N 3.25Å; K545-Q547 PolarHBondContact O-N 2.96Å; Q547-S549 PolarHBondContact O-N 2.84Å; Q547-S550 VanDerWaalsContact CB-OG 3.24Å; Q547-S550 WeakPolarHBondContact CB-OG 3.22Å; Q547-S550 WeakPolarHBondContact O-CB 3.4Å; Q547-S550 PolarHBondContact O-N 3.44Å; Q547-S550 PolarHBondContact O-OG 2.93Å
548	P	76.9	Confident	85.2	Confident	55 Å²	55	34.6 Å²	34.6	36%	0.357	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-35.1	179.6	-27	36.1	0	0	0	113.4	S550 Y590	P548-S550 PolarHBondContact O-N 3.36Å; P548-Y590 HydrophobicContact CB-CE2 4.03Å; P548-Y590 HydrophobicContact CG-CE2 3.96Å
549	S	81.1	Confident	84.5	Confident	26 Å²	26	37 Å²	37	18%	0.182	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-22	175.8	43.4	0	0	0	0	114	N514 Q547 R551 T552 V553	N514-S549 WeakPolarHBondContact O-CB 3.32Å; Q547-S549 PolarHBondContact O-N 2.84Å; S549-R551 PolarHBondContact O-N 3.01Å; S549-T552 PolarHBondContact O-N 2.83Å; S549-T552 VanDerWaalsContact O-N 3.13Å; S549-V553 WeakPolarHBondContact O-CG2 3.45Å; S549-V553 PolarHBondContact O-N 2.89Å
550	S	82.6	Confident	83.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-56.4	-36.1	-176.1	-70.9	0	0	0	0	112.5	L544 Q547 P548 V553 S554	L544-S550 WeakPolarHBondContact O-CB 3.28Å; L544-S550 PolarHBondContact O-OG 2.63Å; Q547-S550 VanDerWaalsContact CB-OG 3.24Å; Q547-S550 WeakPolarHBondContact CB-OG 3.22Å; Q547-S550 WeakPolarHBondContact O-CB 3.4Å; Q547-S550 PolarHBondContact O-N 3.44Å; Q547-S550 PolarHBondContact O-OG 2.93Å; P548-S550 PolarHBondContact O-N 3.36Å; S550-V553 PolarHBondContact O-N 3.16Å; S550-S554 WeakPolarHBondContact O-CB 3.46Å; S550-S554 PolarHBondContact O-N 3.39Å; S550-S554 PolarHBondContact O-OG 3.21Å
551	R	81.9	Confident	83.4	Confident	56 Å²	56	37.2 Å²	37.2	21%	0.211	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-50.3	178.5	-68.3	177.7	177.6	151.3	-2.1	111.3	S549 S554 R555 E586	S549-R551 PolarHBondContact O-N 3.01Å; R551-S554 PolarHBondContact O-N 2.9Å; R551-R555 WeakPolarHBondContact O-CG 3.36Å; R551-R555 PolarHBondContact O-N 3.19Å; R551-E586 VanDerWaalsContact NH1-CD 3.26Å; R551-E586 IonicContact NH1-OE1 3.51Å; R551-E586 PolarHBondContact NH1-OE1 3.41Å; R551-E586 IonicContact NH1-OE2 2.67Å; R551-E586 PolarHBondContact NH1-OE2 2.71Å
552	T	82.1	Confident	83	Confident	58 Å²	58	38.3 Å²	38.3	36%	0.356	19%	0.19	S	C	.	.	H	α-helix	trans	-62.3	-46	179.1	-58.4	0	0	0	0	111.6	S549 R555 G556 Y600	S549-T552 PolarHBondContact O-N 2.83Å; S549-T552 VanDerWaalsContact O-N 3.13Å; T552-R555 PolarHBondContact O-N 3.05Å; T552-G556 PolarHBondContact O-N 3.2Å; T552-Y600 HydrophobicContact CG2-CD1 3.91Å; T552-Y600 HydrophobicContact CG2-CE1 3.18Å
553	V	85.8	Confident	82.2	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.012	20%	0.196	C	C	.	.	H	α-helix	trans	-66.8	-39.9	178.9	-179.5	0	0	0	0	111.1	L512 P513 S549 S550 R555 G556 I557	L512-V553 HydrophobicContact CB-CG1 4.18Å; L512-V553 HydrophobicContact CD1-CB 4.38Å; L512-V553 HydrophobicContact CD1-CG1 4.33Å; L512-V553 HydrophobicContact CD2-CG1 4.47Å; P513-V553 HydrophobicContact CG-CG1 4.23Å; P513-V553 VanDerWaalsContact O-CG2 3.26Å; P513-V553 WeakPolarHBondContact O-CG2 3.5Å; S549-V553 WeakPolarHBondContact O-CG2 3.45Å; S549-V553 PolarHBondContact O-N 2.89Å; S550-V553 PolarHBondContact O-N 3.16Å; V553-R555 PolarHBondContact O-N 2.87Å; V553-G556 PolarHBondContact O-N 2.93Å; V553-I557 HydrophobicContact CG1-CD1 3.83Å; V553-I557 HydrophobicContact CG1-CG1 4.32Å; V553-I557 WeakPolarHBondContact O-CB 3.48Å; V553-I557 WeakPolarHBondContact O-CG1 3.45Å; V553-I557 PolarHBondContact O-N 3.17Å
554	S	88	Confident	81.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.6	-45.9	175.4	-59.5	0	0	0	0	111.4	L512 S550 R551 I557 C558 L574	L512-S554 WeakPolarHBondContact CD1-OG 3.27Å; S550-S554 WeakPolarHBondContact O-CB 3.46Å; S550-S554 PolarHBondContact O-N 3.39Å; S550-S554 PolarHBondContact O-OG 3.21Å; R551-S554 PolarHBondContact O-N 2.9Å; S554-I557 PolarHBondContact O-N 2.92Å; S554-C558 WeakPolarHBondContact O-CB 3.46Å; S554-C558 PolarHBondContact O-N 3.31Å; S554-C558 PolarHBondContact O-SG 2.91Å; S554-L574 WeakPolarHBondContact OG-CD1 3.45Å
555	R	84	Confident	81.1	Confident	51 Å²	51	44.5 Å²	44.5	19%	0.192	25%	0.245	C	C	.	.	H	α-helix	trans	-58.6	-48.6	174.5	-76	-178.7	179	164.5	3.3	111.6	R551 T552 V553 I557 C558 Q559 A578 M580	R551-R555 WeakPolarHBondContact O-CG 3.36Å; R551-R555 PolarHBondContact O-N 3.19Å; T552-R555 PolarHBondContact O-N 3.05Å; V553-R555 PolarHBondContact O-N 2.87Å; R555-I557 PolarHBondContact O-N 3.12Å; R555-C558 PolarHBondContact O-N 3.18Å; R555-Q559 VanDerWaalsContact O-CG 3.32Å; R555-Q559 WeakPolarHBondContact O-CG 3.42Å; R555-Q559 PolarHBondContact O-N 3.49Å; R555-A578 HydrophobicContact CG-CB 3.88Å; R555-A578 WeakPolarHBondContact CG-O 3.32Å; R555-A578 PolarHBondContact NE-O 3.43Å; R555-M580 PolarHBondContact NH2-O 3.27Å
556	G	83.6	Confident	81	Confident	5 Å²	5	40.9 Å²	40.9	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-57.3	-47	177.5	0	0	0	0	0	112.8	T552 V553 Q559 L560	T552-G556 PolarHBondContact O-N 3.2Å; V553-G556 PolarHBondContact O-N 2.93Å; G556-Q559 PolarHBondContact O-N 3.23Å; G556-L560 WeakPolarHBondContact O-CG 3.5Å; G556-L560 PolarHBondContact O-N 2.93Å
557	I	86.7	Confident	81	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-45.9	176.3	-70.7	172	0	0	0	111.3	F401 L512 L516 Y519 V553 S554 R555 Q559 L560 F561 L574	F401-I557 HydrophobicContact CE1-CD1 4.47Å; F401-I557 HydrophobicContact CE1-CG2 4.02Å; F401-I557 HydrophobicContact CE2-CG2 4.17Å; F401-I557 HydrophobicContact CZ-CG2 3.38Å; L512-I557 HydrophobicContact CD2-CD1 3.61Å; L516-I557 HydrophobicContact CD1-CG1 3.93Å; Y519-I557 HydrophobicContact CD1-CD1 4.37Å; Y519-I557 HydrophobicContact CD1-CG1 4.07Å; Y519-I557 HydrophobicContact CD2-CD1 3.92Å; Y519-I557 HydrophobicContact CE1-CD1 4.46Å; Y519-I557 HydrophobicContact CE1-CG1 4.15Å; Y519-I557 HydrophobicContact CE2-CD1 4Å; Y519-I557 HydrophobicContact CG-CD1 4.1Å; Y519-I557 HydrophobicContact CG-CG1 4.26Å; V553-I557 HydrophobicContact CG1-CD1 3.83Å; V553-I557 HydrophobicContact CG1-CG1 4.32Å; V553-I557 WeakPolarHBondContact O-CB 3.48Å; V553-I557 WeakPolarHBondContact O-CG1 3.45Å; V553-I557 PolarHBondContact O-N 3.17Å; S554-I557 PolarHBondContact O-N 2.92Å; R555-I557 PolarHBondContact O-N 3.12Å; I557-Q559 VanDerWaalsContact C-N 3.29Å; I557-Q559 PolarHBondContact O-N 2.79Å; I557-L560 WeakPolarHBondContact O-CB 3.36Å; I557-L560 PolarHBondContact O-N 3.34Å; I557-F561 HydrophobicContact CG2-CD2 4.01Å; I557-F561 HydrophobicContact CG2-CE2 4.06Å; I557-F561 WeakPolarHBondContact O-CD2 3.29Å; I557-F561 PolarHBondContact O-N 3.35Å; I557-L574 HydrophobicContact CB-CD2 4.37Å; I557-L574 HydrophobicContact CG2-CD2 3.8Å
558	C	85.2	Confident	81.3	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.5	-43.3	178.7	-67.5	0	0	0	0	111	S554 R555 L560 F561 E562 L567 L575 A578 F608	S554-C558 WeakPolarHBondContact O-CB 3.46Å; S554-C558 PolarHBondContact O-N 3.31Å; S554-C558 PolarHBondContact O-SG 2.91Å; R555-C558 PolarHBondContact O-N 3.18Å; C558-L560 PolarHBondContact O-N 3.32Å; C558-F561 PolarHBondContact O-N 3.2Å; C558-E562 WeakPolarHBondContact O-CB 3.43Å; C558-E562 PolarHBondContact O-N 2.79Å; C558-L567 HydrophobicContact CB-CD1 4.18Å; C558-L567 WeakPolarHBondContact O-CD1 3.44Å; C558-L575 HydrophobicContact CB-CD2 4.43Å; C558-A578 HydrophobicContact CB-CB 4.42Å; C558-F608 HydrophobicContact CB-CD1 4.34Å; C558-F608 HydrophobicContact CB-CE1 3.89Å; C558-F608 HydrophobicContact CB-CE2 4.12Å; C558-F608 HydrophobicContact CB-CZ 3.78Å
559	Q	79	Confident	81.6	Confident	50 Å²	50	42.3 Å²	42.3	23%	0.234	24%	0.236	C	C	.	.	H	α-helix	trans	-60.9	-44.9	174.1	-67.9	171.9	-19.9	0	0	110.8	F386 R555 G556 I557 F561 E562 S563 F608	F386-Q559 HydrophobicContact CD2-CB 3.77Å; F386-Q559 HydrophobicContact CE1-CB 4.39Å; F386-Q559 HydrophobicContact CE2-CB 3.15Å; F386-Q559 HydrophobicContact CE2-CG 4.46Å; F386-Q559 HydrophobicContact CZ-CB 3.54Å; F386-Q559 WeakPolarHBondContact CZ-O 3.31Å; R555-Q559 VanDerWaalsContact O-CG 3.32Å; R555-Q559 WeakPolarHBondContact O-CG 3.42Å; R555-Q559 PolarHBondContact O-N 3.49Å; G556-Q559 PolarHBondContact O-N 3.23Å; I557-Q559 VanDerWaalsContact C-N 3.29Å; I557-Q559 PolarHBondContact O-N 2.79Å; Q559-F561 VanDerWaalsContact C-N 3.28Å; Q559-F561 PolarHBondContact O-N 3.04Å; Q559-E562 WeakPolarHBondContact O-CB 3.45Å; Q559-E562 PolarHBondContact O-N 2.98Å; Q559-E562 VanDerWaalsContact O-N 3.11Å; Q559-S563 PolarHBondContact O-N 3.48Å; Q559-F608 HydrophobicContact CG-CE1 4.18Å; Q559-F608 HydrophobicContact CG-CZ 3.9Å
560	L	80.5	Confident	81.8	Confident	5 Å²	5	41.3 Å²	41.3	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-54.9	-47.1	180	-75.8	174.9	0	0	0	110.3	F386 L389 T390 I393 L516 Y519 V520 G556 I557 C558 S563	F386-L560 HydrophobicContact CD2-CD2 4.4Å; F386-L560 HydrophobicContact CE2-CB 4.25Å; F386-L560 HydrophobicContact CE2-CD2 3.67Å; F386-L560 HydrophobicContact CE2-CG 3.77Å; F386-L560 VanDerWaalsContact CZ-CA 3.44Å; F386-L560 HydrophobicContact CZ-CB 4.46Å; F386-L560 HydrophobicContact CZ-CD2 4.01Å; F386-L560 HydrophobicContact CZ-CG 4.34Å; L389-L560 HydrophobicContact CB-CD2 4.05Å; T390-L560 HydrophobicContact CG2-CD2 3.59Å; I393-L560 HydrophobicContact CD1-CD1 4.02Å; I393-L560 HydrophobicContact CD1-CD2 4.28Å; L516-L560 HydrophobicContact CD1-CD1 3.84Å; L516-L560 HydrophobicContact CG-CD1 4.45Å; Y519-L560 HydrophobicContact CD1-CD1 4.37Å; Y519-L560 HydrophobicContact CE1-CD1 4.46Å; V520-L560 HydrophobicContact CG2-CD1 4.12Å; G556-L560 WeakPolarHBondContact O-CG 3.5Å; G556-L560 PolarHBondContact O-N 2.93Å; I557-L560 WeakPolarHBondContact O-CB 3.36Å; I557-L560 PolarHBondContact O-N 3.34Å; C558-L560 PolarHBondContact O-N 3.32Å; L560-S563 PolarHBondContact O-N 3.44Å; L560-S563 PolarHBondContact O-OG 3.28Å
561	F	82.8	Confident	82.1	Confident	10 Å²	10	42.5 Å²	42.5	4%	0.044	24%	0.237	C	C	.	.	H	α-helix	trans	-71.5	-36.5	178.5	-81.5	-107.9	0	0	0	112.9	Q399 F401 I557 C558 Q559 S563 V564 G565 N566 K569 V570	Q399-F561 HydrophobicContact CB-CE1 4.24Å; Q399-F561 HydrophobicContact CB-CE2 4.41Å; Q399-F561 HydrophobicContact CB-CZ 3.52Å; Q399-F561 HydrophobicContact CG-CZ 4.39Å; F401-F561 HydrophobicContact CD2-CZ 4.34Å; F401-F561 HydrophobicContact CE2-CD2 4.28Å; F401-F561 AromaticContact CE2-CE1 3.86Å; F401-F561 HydrophobicContact CE2-CE1 3.86Å; F401-F561 AromaticContact CE2-CE2 3.56Å; F401-F561 HydrophobicContact CE2-CE2 3.56Å; F401-F561 AromaticContact CE2-CZ 3.3Å; F401-F561 HydrophobicContact CE2-CZ 3.3Å; F401-F561 HydrophobicContact CZ-CD2 4.48Å; F401-F561 AromaticContact CZ-CE2 3.66Å; F401-F561 HydrophobicContact CZ-CE2 3.66Å; F401-F561 AromaticContact CZ-CZ 3.79Å; F401-F561 HydrophobicContact CZ-CZ 3.79Å; I557-F561 HydrophobicContact CG2-CD2 4.01Å; I557-F561 HydrophobicContact CG2-CE2 4.06Å; I557-F561 WeakPolarHBondContact O-CD2 3.29Å; I557-F561 PolarHBondContact O-N 3.35Å; C558-F561 PolarHBondContact O-N 3.2Å; Q559-F561 VanDerWaalsContact C-N 3.28Å; Q559-F561 PolarHBondContact O-N 3.04Å; F561-S563 VanDerWaalsContact C-N 3.34Å; F561-S563 PolarHBondContact O-N 3.23Å; F561-V564 PolarHBondContact O-N 2.99Å; F561-G565 PolarHBondContact O-N 2.8Å; F561-G565 VanDerWaalsContact O-N 3.15Å; F561-N566 HydrophobicContact CD1-CB 3.93Å; F561-N566 WeakPolarHBondContact CD1-O 3.22Å; F561-N566 PolarHBondContact O-N 3.21Å; F561-K569 HydrophobicContact CD1-CB 4.21Å; F561-K569 HydrophobicContact CE1-CB 4.12Å; F561-V570 HydrophobicContact CB-CG2 3.67Å; F561-V570 HydrophobicContact CD1-CG2 3.86Å; F561-V570 HydrophobicContact CD2-CG2 4.17Å; F561-V570 HydrophobicContact CG-CG2 3.63Å
562	E	79.8	Confident	82.3	Confident	103 Å²	103	45.5 Å²	45.5	48%	0.481	25%	0.252	S	S	.	.	H	α-helix	trans	-60.2	-42.7	173.9	-172.6	178	-159	0	0	111.5	C558 Q559 V564 G565 L567 F608	C558-E562 WeakPolarHBondContact O-CB 3.43Å; C558-E562 PolarHBondContact O-N 2.79Å; Q559-E562 WeakPolarHBondContact O-CB 3.45Å; Q559-E562 PolarHBondContact O-N 2.98Å; Q559-E562 VanDerWaalsContact O-N 3.11Å; E562-V564 PolarHBondContact O-N 3.3Å; E562-G565 PolarHBondContact O-N 3Å; E562-L567 HydrophobicContact CB-CD1 4.37Å; E562-F608 WeakPolarHBondContact OE2-CE1 3.01Å
563	S	70.9	Confident	82.6	Confident	65 Å²	65	44.2 Å²	44.2	46%	0.455	24%	0.242	S	C	.	.	H	α-helix	trans	-63.5	-24.8	-179	75.8	0	0	0	0	114.4	T390 Q559 L560 F561	T390-S563 VanDerWaalsContact CG2-OG 3.28Å; T390-S563 WeakPolarHBondContact CG2-OG 3.42Å; Q559-S563 PolarHBondContact O-N 3.48Å; L560-S563 PolarHBondContact O-N 3.44Å; L560-S563 PolarHBondContact O-OG 3.28Å; F561-S563 VanDerWaalsContact C-N 3.34Å; F561-S563 PolarHBondContact O-N 3.23Å
564	V	73.2	Confident	82.6	Confident	99 Å²	99	44.1 Å²	44.1	60%	0.6	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.8	3.8	177.7	-164.9	0	0	0	0	111.2	F561 E562 N566	F561-V564 PolarHBondContact O-N 2.99Å; E562-V564 PolarHBondContact O-N 3.3Å; V564-N566 VanDerWaalsContact C-N 3.34Å; V564-N566 PolarHBondContact O-N 3.49Å
565	G	75.6	Confident	82.4	Confident	61 Å²	61	44.7 Å²	44.7	63%	0.629	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	70	25.1	179.9	0	0	0	0	0	114.8	F561 E562	F561-G565 PolarHBondContact O-N 2.8Å; F561-G565 VanDerWaalsContact O-N 3.15Å; E562-G565 PolarHBondContact O-N 3Å
566	N	82.2	Confident	82.4	Confident	48 Å²	48	47.5 Å²	47.5	26%	0.257	26%	0.26	S	S	.	.			trans	-113.8	22.7	-177.7	-76.4	-60.9	0	0	0	112.9	F561 V564 D568 K569	F561-N566 HydrophobicContact CD1-CB 3.93Å; F561-N566 WeakPolarHBondContact CD1-O 3.22Å; F561-N566 PolarHBondContact O-N 3.21Å; V564-N566 VanDerWaalsContact C-N 3.34Å; V564-N566 PolarHBondContact O-N 3.49Å; N566-D568 VanDerWaalsContact CA-OD1 3.25Å; N566-D568 WeakPolarHBondContact CA-OD1 3.2Å; N566-D568 PolarHBondContact O-N 3.3Å; N566-D568 VanDerWaalsContact O-N 3.11Å; N566-K569 HydrophobicContact CB-CD 4.17Å; N566-K569 HydrophobicContact CB-CG 4.45Å; N566-K569 WeakPolarHBondContact O-CB 3.46Å; N566-K569 PolarHBondContact O-N 3.36Å; N566-K569 WeakPolarHBondContact OD1-CE 3.4Å; N566-K569 PolarHBondContact OD1-NZ 3.1Å
567	L	80.9	Confident	82.4	Confident	34 Å²	34	47.9 Å²	47.9	18%	0.178	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-59.1	-25.6	-176.5	-169.9	64.2	0	0	0	113	C558 E562 K569 V570 L575 F608	C558-L567 HydrophobicContact CB-CD1 4.18Å; C558-L567 WeakPolarHBondContact O-CD1 3.44Å; E562-L567 HydrophobicContact CB-CD1 4.37Å; L567-K569 PolarHBondContact O-N 3.45Å; L567-V570 HydrophobicContact CD1-CG2 4.25Å; L567-V570 WeakPolarHBondContact O-CB 3.27Å; L567-V570 PolarHBondContact O-N 3.02Å; L567-V570 VanDerWaalsContact O-N 3.11Å; L567-L575 HydrophobicContact CD1-CD2 3.82Å; L567-L575 HydrophobicContact CG-CD2 4.24Å; L567-F608 HydrophobicContact CD2-CD1 4.29Å
568	D	83.6	Confident	82.1	Confident	118 Å²	118	48 Å²	48	63%	0.631	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-60.2	-24.7	173.5	62.6	-51.4	0	0	0	113.9	N566 V570	N566-D568 VanDerWaalsContact CA-OD1 3.25Å; N566-D568 WeakPolarHBondContact CA-OD1 3.2Å; N566-D568 PolarHBondContact O-N 3.3Å; N566-D568 VanDerWaalsContact O-N 3.11Å; D568-V570 VanDerWaalsContact C-N 3.27Å; D568-V570 PolarHBondContact O-N 3.16Å
569	K	83.8	Confident	81.7	Confident	97 Å²	97	50.4 Å²	50.4	42%	0.422	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-78.9	-9.4	176.1	-60.3	-174.9	-178.3	170.3	0	113.5	F561 N566 L567	F561-K569 HydrophobicContact CD1-CB 4.21Å; F561-K569 HydrophobicContact CE1-CB 4.12Å; N566-K569 HydrophobicContact CB-CD 4.17Å; N566-K569 HydrophobicContact CB-CG 4.45Å; N566-K569 WeakPolarHBondContact O-CB 3.46Å; N566-K569 PolarHBondContact O-N 3.36Å; N566-K569 WeakPolarHBondContact OD1-CE 3.4Å; N566-K569 PolarHBondContact OD1-NZ 3.1Å; L567-K569 PolarHBondContact O-N 3.45Å
570	V	86.6	Confident	81.4	Confident	6 Å²	6	51.4 Å²	51.4	4%	0.036	28%	0.279	C	S	.	.	S	Bend	trans	-87.1	126.7	-179	-177	0	0	0	0	110	F401 F561 L567 D568 L574 L575	F401-V570 HydrophobicContact CE2-CG2 4.22Å; F561-V570 HydrophobicContact CB-CG2 3.67Å; F561-V570 HydrophobicContact CD1-CG2 3.86Å; F561-V570 HydrophobicContact CD2-CG2 4.17Å; F561-V570 HydrophobicContact CG-CG2 3.63Å; L567-V570 HydrophobicContact CD1-CG2 4.25Å; L567-V570 WeakPolarHBondContact O-CB 3.27Å; L567-V570 PolarHBondContact O-N 3.02Å; L567-V570 VanDerWaalsContact O-N 3.11Å; D568-V570 VanDerWaalsContact C-N 3.27Å; D568-V570 PolarHBondContact O-N 3.16Å; V570-L574 HydrophobicContact CG1-CB 3.85Å; V570-L574 HydrophobicContact CG1-CD2 3.66Å; V570-L574 HydrophobicContact CG1-CG 4.17Å; V570-L575 HydrophobicContact CB-CG 4.42Å; V570-L575 HydrophobicContact CG1-CD2 4.28Å; V570-L575 HydrophobicContact CG1-CG 4.06Å
571	P	89.1	Confident	80.4	Confident	24 Å²	24	59.5 Å²	59.5	16%	0.156	32%	0.317	C	S	.	.			trans	-62.4	145.7	180	-23.7	34	0	0	0	112.4	F401 V403 I539 L573 L574 L575	F401-P571 HydrophobicContact CB-CG 3.36Å; F401-P571 HydrophobicContact CG-CG 4.19Å; V403-P571 HydrophobicContact CG2-CB 3.71Å; V403-P571 HydrophobicContact CG2-CG 4.05Å; I539-P571 HydrophobicContact CD1-CG 4.31Å; P571-L573 PolarHBondContact O-N 3.41Å; P571-L574 WeakPolarHBondContact O-CB 3.33Å; P571-L574 PolarHBondContact O-N 3.05Å; P571-L575 PolarHBondContact O-N 2.86Å; P571-L575 VanDerWaalsContact O-N 3.16Å
572	K	85.9	Confident	79	Confident	120 Å²	120	62.9 Å²	62.9	52%	0.522	33%	0.334	S	S	.	.	H	α-helix	trans	-50.4	-42.4	176.6	-68.1	-175.5	179.3	-178.9	0	112.7	L574 L575 E576	K572-L574 VanDerWaalsContact C-N 3.28Å; K572-L574 PolarHBondContact O-N 3.29Å; K572-L575 WeakPolarHBondContact O-CB 3.4Å; K572-L575 PolarHBondContact O-N 2.89Å; K572-L575 VanDerWaalsContact O-N 3.12Å; K572-E576 WeakPolarHBondContact O-CG 2.97Å; K572-E576 PolarHBondContact O-N 3.23Å
573	L	86.8	Confident	77.5	Confident	30 Å²	30	64.5 Å²	64.5	16%	0.157	34%	0.342	C	S	.	.	H	α-helix	trans	-55	-42	176.9	-176.6	65.5	0	0	0	112.4	V403 I539 E541 L544 P571 Y577	V403-L573 HydrophobicContact CG1-CD2 3.95Å; I539-L573 HydrophobicContact CG2-CD2 3.85Å; E541-L573 HydrophobicContact CB-CD2 4.37Å; E541-L573 HydrophobicContact CG-CD1 4.38Å; L544-L573 HydrophobicContact CD1-CD2 4.08Å; L544-L573 HydrophobicContact CD1-CG 4.04Å; P571-L573 PolarHBondContact O-N 3.41Å; L573-Y577 HydrophobicContact CD1-CD2 4.23Å; L573-Y577 HydrophobicContact CD1-CE2 4.03Å; L573-Y577 VanDerWaalsContact O-CD2 3.3Å; L573-Y577 WeakPolarHBondContact O-CD2 3.24Å; L573-Y577 PolarHBondContact O-N 3.38Å; L573-Y577 VanDerWaalsContact O-N 3.13Å
574	L	86.4	Confident	75.8	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-73	-38	179.2	-163.4	72	0	0	0	111.6	F401 L512 I539 S554 I557 V570 P571 K572 Y577 A578	F401-L574 HydrophobicContact CD1-CD2 4.41Å; F401-L574 HydrophobicContact CE1-CD2 4.16Å; F401-L574 HydrophobicContact CZ-CD2 4.39Å; L512-L574 HydrophobicContact CD1-CD1 3.81Å; L512-L574 HydrophobicContact CD2-CD1 4.41Å; I539-L574 HydrophobicContact CD1-CB 4.19Å; I539-L574 HydrophobicContact CD1-CD1 4.02Å; I539-L574 HydrophobicContact CD1-CD2 4.23Å; I539-L574 HydrophobicContact CD1-CG 4.39Å; S554-L574 WeakPolarHBondContact OG-CD1 3.45Å; I557-L574 HydrophobicContact CB-CD2 4.37Å; I557-L574 HydrophobicContact CG2-CD2 3.8Å; V570-L574 HydrophobicContact CG1-CB 3.85Å; V570-L574 HydrophobicContact CG1-CD2 3.66Å; V570-L574 HydrophobicContact CG1-CG 4.17Å; P571-L574 WeakPolarHBondContact O-CB 3.33Å; P571-L574 PolarHBondContact O-N 3.05Å; K572-L574 VanDerWaalsContact C-N 3.28Å; K572-L574 PolarHBondContact O-N 3.29Å; L574-Y577 PolarHBondContact O-N 3.03Å; L574-A578 WeakPolarHBondContact O-CB 3.46Å; L574-A578 PolarHBondContact O-N 3.39Å
575	L	84.2	Confident	74.3	Confident	13 Å²	13	69.2 Å²	69.2	7%	0.068	37%	0.365	C	S	.	.	H	α-helix	trans	-62.7	-40.7	174.2	-69.4	167.7	0	0	0	111.7	C558 L567 V570 P571 K572 A578 N579 F608	C558-L575 HydrophobicContact CB-CD2 4.43Å; L567-L575 HydrophobicContact CD1-CD2 3.82Å; L567-L575 HydrophobicContact CG-CD2 4.24Å; V570-L575 HydrophobicContact CB-CG 4.42Å; V570-L575 HydrophobicContact CG1-CD2 4.28Å; V570-L575 HydrophobicContact CG1-CG 4.06Å; P571-L575 PolarHBondContact O-N 2.86Å; P571-L575 VanDerWaalsContact O-N 3.16Å; K572-L575 WeakPolarHBondContact O-CB 3.4Å; K572-L575 PolarHBondContact O-N 2.89Å; K572-L575 VanDerWaalsContact O-N 3.12Å; L575-A578 PolarHBondContact O-N 3.12Å; L575-N579 PolarHBondContact O-N 3.47Å; L575-N579 PolarHBondContact O-ND2 3.41Å; L575-F608 HydrophobicContact CD2-CB 4.25Å
576	E	84	Confident	72.6	Confident	109 Å²	109	70.1 Å²	70.1	51%	0.509	35%	0.353	S	S	.	.	H	α-helix	trans	-62.9	-49.3	176	-75.1	167.8	-164.3	0	0	110.8	K572 A578 N579 M580	K572-E576 WeakPolarHBondContact O-CG 2.97Å; K572-E576 PolarHBondContact O-N 3.23Å; E576-A578 VanDerWaalsContact C-N 3.27Å; E576-A578 PolarHBondContact O-N 3.11Å; E576-N579 CarbonylContact O-C 3.53Å; E576-N579 PolarHBondContact O-N 2.93Å; E576-M580 WeakPolarHBondContact O-CG 3.17Å; E576-M580 PolarHBondContact O-N 2.82Å
577	Y	82.3	Confident	70.6	Confident	14 Å²	14	73.4 Å²	73.4	6%	0.055	37%	0.367	C	S	.	.	H	α-helix	trans	-60.1	-36.5	175.2	-93.7	-102.8	0	0	0	113.2	L544 K545 L573 L574 N579 M580	L544-Y577 HydrophobicContact CB-CD1 4.1Å; L544-Y577 HydrophobicContact CB-CE1 3.72Å; L544-Y577 HydrophobicContact CB-CE2 4.41Å; L544-Y577 HydrophobicContact CD1-CD1 4.48Å; L544-Y577 HydrophobicContact CD1-CD2 4.04Å; L544-Y577 HydrophobicContact CD1-CE2 4.19Å; L544-Y577 HydrophobicContact CD1-CG 4.18Å; K545-Y577 VanDerWaalsContact CE-OH 3.3Å; K545-Y577 WeakPolarHBondContact CE-OH 3.38Å; K545-Y577 WeakPolarHBondContact CG-OH 3.44Å; L573-Y577 HydrophobicContact CD1-CD2 4.23Å; L573-Y577 HydrophobicContact CD1-CE2 4.03Å; L573-Y577 VanDerWaalsContact O-CD2 3.3Å; L573-Y577 WeakPolarHBondContact O-CD2 3.24Å; L573-Y577 PolarHBondContact O-N 3.38Å; L573-Y577 VanDerWaalsContact O-N 3.13Å; L574-Y577 PolarHBondContact O-N 3.03Å; Y577-N579 VanDerWaalsContact C-N 3.28Å; Y577-N579 PolarHBondContact O-N 3.09Å; Y577-M580 HydrophobicContact CD1-SD 4.36Å; Y577-M580 HydrophobicContact CD2-CE 3.99Å; Y577-M580 HydrophobicContact CE1-SD 4.44Å; Y577-M580 HydrophobicContact CE2-CE 3.91Å; Y577-M580 HydrophobicContact CG-CE 4.41Å; Y577-M580 HydrophobicContact CG-SD 4.43Å
578	A	81.1	Confident	68.3	Low	1 Å²	1	79.2 Å²	79.2	1%	0.008	39%	0.393	C	S	.	.	H	α-helix	trans	-66.3	-29.9	174.4	0	0	0	0	0	112.3	R555 C558 L574 L575 E576 F608	R555-A578 HydrophobicContact CG-CB 3.88Å; R555-A578 WeakPolarHBondContact CG-O 3.32Å; R555-A578 PolarHBondContact NE-O 3.43Å; C558-A578 HydrophobicContact CB-CB 4.42Å; L574-A578 WeakPolarHBondContact O-CB 3.46Å; L574-A578 PolarHBondContact O-N 3.39Å; L575-A578 PolarHBondContact O-N 3.12Å; E576-A578 VanDerWaalsContact C-N 3.27Å; E576-A578 PolarHBondContact O-N 3.11Å; A578-F608 HydrophobicContact CB-CD2 4.31Å; A578-F608 HydrophobicContact CB-CE2 4.08Å
579	N	76.1	Confident	66.1	Low	51 Å²	51	82.7 Å²	82.7	27%	0.273	40%	0.403	S	S	.	.	H	α-helix	trans	-91.7	-11.6	-178.9	-73	-58.5	0	0	0	114.6	L575 E576 Y577 E581 S607 F608	L575-N579 PolarHBondContact O-N 3.47Å; L575-N579 PolarHBondContact O-ND2 3.41Å; E576-N579 CarbonylContact O-C 3.53Å; E576-N579 PolarHBondContact O-N 2.93Å; Y577-N579 VanDerWaalsContact C-N 3.28Å; Y577-N579 PolarHBondContact O-N 3.09Å; N579-E581 PolarHBondContact O-N 3.13Å; N579-S607 WeakPolarHBondContact OD1-CA 3.25Å; N579-F608 WeakPolarHBondContact OD1-CD2 3.48Å; N579-F608 PolarHBondContact OD1-N 3.03Å
580	M	73.4	Confident	63.8	Low	72 Å²	72	86.1 Å²	86.1	36%	0.355	41%	0.414	S	S	.	.	S	Bend	trans	-58.2	135.9	177.7	-71.3	-178.4	-176.8	0	0	111.6	R555 E576 Y577	R555-M580 PolarHBondContact NH2-O 3.27Å; E576-M580 WeakPolarHBondContact O-CG 3.17Å; E576-M580 PolarHBondContact O-N 2.82Å; Y577-M580 HydrophobicContact CD1-SD 4.36Å; Y577-M580 HydrophobicContact CD2-CE 3.99Å; Y577-M580 HydrophobicContact CE1-SD 4.44Å; Y577-M580 HydrophobicContact CE2-CE 3.91Å; Y577-M580 HydrophobicContact CG-CE 4.41Å; Y577-M580 HydrophobicContact CG-SD 4.43Å
581	E	58.8	Low	61.1	Low	175 Å²	175	89.9 Å²	89.9	82%	0.818	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-65.5	142.8	176.2	-66.8	-172.1	164.6	0	0	111	N579 Q583	N579-E581 PolarHBondContact O-N 3.13Å; E581-Q583 PolarHBondContact O-N 3.38Å
582	I	55.4	Low	58.4	Low	80 Å²	80	95.9 Å²	95.9	41%	0.41	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-76.4	118.9	175.2	-58.4	172.2	0	0	0	106.7	E584	I582-E584 PolarHBondContact O-N 2.89Å
583	Q	47.5	Very low	56.1	Low	138 Å²	138	101.5 Å²	101.5	65%	0.645	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-70.3	127.8	168.9	-71.1	-178.3	-3.6	0	0	109.3	E581 G585	E581-Q583 PolarHBondContact O-N 3.38Å; Q583-G585 PolarHBondContact O-N 3.19Å; Q583-G585 VanDerWaalsContact O-N 3.17Å
584	E	35.7	Very low	53.8	Low	207 Å²	207	103.6 Å²	103.6	97%	0.967	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	116.5	174	-71.4	-177.6	155.2	0	0	109.8	I582	I582-E584 PolarHBondContact O-N 2.89Å
585	G	41.6	Very low	51.6	Low	55 Å²	55	114.3 Å²	114.3	57%	0.567	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	129.3	-15.2	176.3	0	0	0	0	0	116.8	Q583 E587	Q583-G585 PolarHBondContact O-N 3.19Å; Q583-G585 VanDerWaalsContact O-N 3.17Å; G585-E587 VanDerWaalsContact C-N 3.28Å; G585-E587 PolarHBondContact O-N 3.11Å
586	E	39.5	Very low	49.5	Very low	80 Å²	80	117.6 Å²	117.6	37%	0.374	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-74.5	-18.8	173.2	-76.2	-179.5	-178.9	0	0	112.9	R551 E588	R551-E586 VanDerWaalsContact NH1-CD 3.26Å; R551-E586 IonicContact NH1-OE1 3.51Å; R551-E586 PolarHBondContact NH1-OE1 3.41Å; R551-E586 IonicContact NH1-OE2 2.67Å; R551-E586 PolarHBondContact NH1-OE2 2.71Å; E586-E588 VanDerWaalsContact C-N 3.28Å; E586-E588 PolarHBondContact O-N 2.83Å
587	E	40.1	Very low	47.2	Very low	118 Å²	118	120.6 Å²	120.6	55%	0.551	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-67	-23	-177.5	-64.9	-169.5	155.9	0	0	113.8	G585 N591	G585-E587 VanDerWaalsContact C-N 3.28Å; G585-E587 PolarHBondContact O-N 3.11Å; E587-N591 VanDerWaalsContact O-CG 3.29Å; E587-N591 PolarHBondContact O-ND2 3.44Å; E587-N591 PolarHBondContact O-OD1 3.45Å
588	E	33	Very low	45	Very low	156 Å²	156	125.5 Å²	125.5	73%	0.729	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-86	-24	-169.7	-72.7	-167.6	152.7	0	0	115.3	E586 N591	E586-E588 VanDerWaalsContact C-N 3.28Å; E586-E588 PolarHBondContact O-N 2.83Å; E588-N591 WeakPolarHBondContact CA-ND2 3Å
589	K	38	Very low	43	Very low	191 Å²	191	127.3 Å²	127.3	83%	0.83	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-14.7	-172.7	-78.5	-179.9	178.7	172.6	0	115.2
590	Y	34	Very low	41.2	Very low	168 Å²	168	130.6 Å²	130.6	66%	0.659	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	10.7	176.4	-75.3	-86.1	0	0	0	113.5	P548 I592	P548-Y590 HydrophobicContact CB-CE2 4.03Å; P548-Y590 HydrophobicContact CG-CE2 3.96Å; Y590-I592 VanDerWaalsContact C-N 3.27Å; Y590-I592 PolarHBondContact O-N 3.04Å; Y590-I592 VanDerWaalsContact O-N 3.12Å
591	N	31.3	Very low	39.4	Very low	86 Å²	86	131.3 Å²	131.3	46%	0.46	63%	0.625	S	S	.	*			trans	-78.5	19.5	-174.1	-85.4	-28.5	0	0	0	116.6	E587 E588	E587-N591 VanDerWaalsContact O-CG 3.29Å; E587-N591 PolarHBondContact O-ND2 3.44Å; E587-N591 PolarHBondContact O-OD1 3.45Å; E588-N591 WeakPolarHBondContact CA-ND2 3Å
592	I	31.4	Very low	38.3	Very low	149 Å²	149	128.8 Å²	128.8	76%	0.764	61%	0.611	S	S	*	*	S	Bend	trans	-111.4	81	179.5	-53	177.1	0	0	0	109.8	Y590	Y590-I592 VanDerWaalsContact C-N 3.27Å; Y590-I592 PolarHBondContact O-N 3.04Å; Y590-I592 VanDerWaalsContact O-N 3.12Å
593	R	37.8	Very low	37.7	Very low	239 Å²	239	129.4 Å²	129.4	90%	0.902	61%	0.611	S	S	*	*	S	Bend	trans	140	-10.3	150.1	-78	174.2	177.2	178.4	0.4	116
594	S	38.1	Very low	37.2	Very low	74 Å²	74	131.8 Å²	131.8	52%	0.517	62%	0.62	S	S	.	*			trans	-89.8	123.6	176	78.3	0	0	0	0	111.3	N596	S594-N596 PolarHBondContact O-N 3.12Å; S594-N596 VanDerWaalsContact O-N 3.11Å
595	R	40.5	Very low	37.4	Very low	225 Å²	225	127.9 Å²	127.9	85%	0.849	61%	0.612	S	S	*	*			trans	-71.4	8.8	172.7	-96.5	178.2	168.1	164.5	-2.6	112.8	K597	R595-K597 PolarHBondContact O-N 2.86Å
596	N	40.6	Very low	37.6	Very low	82 Å²	82	135.6 Å²	135.6	44%	0.439	62%	0.624	S	S	.	*			trans	-99.4	46.4	-167.6	-75.9	-8.7	0	0	0	113.7	S594 N598 I599	S594-N596 PolarHBondContact O-N 3.12Å; S594-N596 VanDerWaalsContact O-N 3.11Å; N596-N598 PolarHBondContact O-N 3.02Å; N596-I599 HydrophobicContact CB-CD1 3.53Å; N596-I599 HydrophobicContact CB-CG1 3.94Å; N596-I599 VanDerWaalsContact CG-CD1 3.41Å; N596-I599 VanDerWaalsContact ND2-CD1 3.32Å; N596-I599 WeakPolarHBondContact ND2-CD1 3.41Å; N596-I599 PolarHBondContact O-N 3.16Å
597	K	34.5	Very low	38.1	Very low	171 Å²	171	134.6 Å²	134.6	74%	0.743	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-12.1	173.8	-89.2	-174.4	172.4	-175.6	0	115.1	R595	R595-K597 PolarHBondContact O-N 2.86Å
598	N	37.5	Very low	38.6	Very low	118 Å²	118	130.2 Å²	130.2	63%	0.631	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.8	0.9	-169.2	-78.9	-32.7	0	0	0	115.2	N596	N596-N598 PolarHBondContact O-N 3.02Å
599	I	38.4	Very low	39.2	Very low	38 Å²	38	126.3 Å²	126.3	20%	0.195	59%	0.592	C	S	.	*	S	Bend	trans	-83.1	-48	-174.8	-61.7	-172.7	0	0	0	109.7	N596 F603	N596-I599 HydrophobicContact CB-CD1 3.53Å; N596-I599 HydrophobicContact CB-CG1 3.94Å; N596-I599 VanDerWaalsContact CG-CD1 3.41Å; N596-I599 VanDerWaalsContact ND2-CD1 3.32Å; N596-I599 WeakPolarHBondContact ND2-CD1 3.41Å; N596-I599 PolarHBondContact O-N 3.16Å; I599-F603 HydrophobicContact CG2-CE2 3.93Å; I599-F603 HydrophobicContact CG2-CZ 4.32Å; I599-F603 WeakPolarHBondContact O-CD2 3.19Å; I599-F603 WeakPolarHBondContact O-CE2 3.41Å
600	Y	38.2	Very low	39.5	Very low	121 Å²	121	126.4 Å²	126.4	48%	0.475	59%	0.593	S	S	.	*	G	3₁₀ helix	trans	-80.7	-27.5	-170.6	-60.7	-63.5	0	0	0	115.9	T552 K602 F603	T552-Y600 HydrophobicContact CG2-CD1 3.91Å; T552-Y600 HydrophobicContact CG2-CE1 3.18Å; Y600-K602 PolarHBondContact O-N 3.4Å; Y600-K602 VanDerWaalsContact O-N 3.12Å; Y600-F603 HydrophobicContact CD1-CD2 4.38Å; Y600-F603 HydrophobicContact CD1-CE2 4.06Å
601	S	34.7	Very low	39.7	Very low	86 Å²	86	121.9 Å²	121.9	60%	0.601	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-74.1	-1.3	-177.5	60.2	0	0	0	0	115.1
602	K	37.4	Very low	40	Very low	122 Å²	122	124 Å²	124	53%	0.53	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-115.8	-0.1	-173.8	-97.7	149.4	156.3	178.7	0	114.3	K382 Y600 K604	K382-K602 VanDerWaalsContact CE-CD 3.45Å; Y600-K602 PolarHBondContact O-N 3.4Å; Y600-K602 VanDerWaalsContact O-N 3.12Å; K602-K604 PolarHBondContact O-N 2.95Å
603	F	42.5	Very low	40	Very low	93 Å²	93	126 Å²	126	41%	0.408	60%	0.603	S	S	.	*			trans	-81.4	92.2	172.3	-67	-83.5	0	0	0	109.2	I599 Y600	I599-F603 HydrophobicContact CG2-CE2 3.93Å; I599-F603 HydrophobicContact CG2-CZ 4.32Å; I599-F603 WeakPolarHBondContact O-CD2 3.19Å; I599-F603 WeakPolarHBondContact O-CE2 3.41Å; Y600-F603 HydrophobicContact CD1-CD2 4.38Å; Y600-F603 HydrophobicContact CD1-CE2 4.06Å
604	K	37.2	Very low	39.6	Very low	188 Å²	188	121.7 Å²	121.7	82%	0.817	60%	0.597	S	S	*	*			trans	-57.4	138.1	170	-79.9	-172.4	175.2	-175.3	0	109.1	K602 R606	K602-K604 PolarHBondContact O-N 2.95Å; K604-R606 PolarHBondContact O-N 2.87Å
605	P	38.6	Very low	39.2	Very low	126 Å²	126	127.3 Å²	127.3	82%	0.818	61%	0.609	S	S	*	*			trans	-63.6	102.1	173.6	26.4	-31.7	0	0	0	108.3
606	R	45.2	Very low	38.7	Very low	216 Å²	216	121.8 Å²	121.8	82%	0.815	60%	0.602	S	S	*	*			trans	-95.3	119.3	160.3	-82.8	-173.6	172.2	179.4	-0.8	105.8	K604 F608	K604-R606 PolarHBondContact O-N 2.87Å; R606-F608 PolarHBondContact O-N 2.86Å
607	S	50.8	Low	38	Very low	59 Å²	59	127.3 Å²	127.3	41%	0.413	62%	0.622	S	S	.	*			trans	-69.2	126.2	171.5	77.6	0	0	0	0	108.5	N579 T609	N579-S607 WeakPolarHBondContact OD1-CA 3.25Å; S607-T609 VanDerWaalsContact CB-OG1 3.24Å; S607-T609 WeakPolarHBondContact CB-OG1 3.39Å; S607-T609 PolarHBondContact O-N 2.66Å; S607-T609 PolarHBondContact OG-OG1 3.25Å
608	F	51.7	Low	37.9	Very low	26 Å²	26	125.8 Å²	125.8	11%	0.114	62%	0.622	C	S	.	*	T	Hydrogen-bonded Turn	trans	-68.7	5	172.4	-63.8	-82.5	0	0	0	112.1	C558 Q559 E562 L567 L575 A578 N579 R606	C558-F608 HydrophobicContact CB-CD1 4.34Å; C558-F608 HydrophobicContact CB-CE1 3.89Å; C558-F608 HydrophobicContact CB-CE2 4.12Å; C558-F608 HydrophobicContact CB-CZ 3.78Å; Q559-F608 HydrophobicContact CG-CE1 4.18Å; Q559-F608 HydrophobicContact CG-CZ 3.9Å; E562-F608 WeakPolarHBondContact OE2-CE1 3.01Å; L567-F608 HydrophobicContact CD2-CD1 4.29Å; L575-F608 HydrophobicContact CD2-CB 4.25Å; A578-F608 HydrophobicContact CB-CD2 4.31Å; A578-F608 HydrophobicContact CB-CE2 4.08Å; N579-F608 WeakPolarHBondContact OD1-CD2 3.48Å; N579-F608 PolarHBondContact OD1-N 3.03Å; R606-F608 PolarHBondContact O-N 2.86Å
609	T	45.7	Very low	37.6	Very low	74 Å²	74	127.4 Å²	127.4	45%	0.454	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.5	-7	-171.1	55.9	0	0	0	0	115.1	S607 G611 Y612	S607-T609 VanDerWaalsContact CB-OG1 3.24Å; S607-T609 WeakPolarHBondContact CB-OG1 3.39Å; S607-T609 PolarHBondContact O-N 2.66Å; S607-T609 PolarHBondContact OG-OG1 3.25Å; T609-G611 PolarHBondContact O-N 2.81Å; T609-Y612 PolarHBondContact O-N 3.29Å
610	K	42.6	Very low	37.4	Very low	194 Å²	194	130 Å²	130	84%	0.843	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-8.8	-175.6	-89.1	-176.3	176.1	-179.8	0	115.4
611	G	38.8	Very low	37.1	Very low	72 Å²	72	131.6 Å²	131.6	74%	0.742	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-8.7	172.3	0	0	0	0	0	115.9	T609 K613	T609-G611 PolarHBondContact O-N 2.81Å; G611-K613 PolarHBondContact O-N 3.37Å
612	Y	37.3	Very low	36.9	Very low	130 Å²	130	135.5 Å²	135.5	51%	0.51	68%	0.679	S	S	.	*			trans	-97.7	73.6	-177.5	-81.7	-91.1	0	0	0	110.6	T609	T609-Y612 PolarHBondContact O-N 3.29Å
613	K	30.7	Very low	36.5	Very low	193 Å²	193	140.6 Å²	140.6	84%	0.839	70%	0.695	S	S	*	*			trans	-87.6	-1	-174.6	-104.2	-172.8	179.6	-176.6	0	116.8	G611	G611-K613 PolarHBondContact O-N 3.37Å
614	N	29.4	Very low	35.9	Very low	148 Å²	148	146.1 Å²	146.1	79%	0.791	71%	0.714	S	S	*	*			trans	-136.3	89.1	-177.1	-74.9	-20.9	0	0	0	111.8
615	Y	30	Very low	35.6	Very low	192 Å²	192	147.8 Å²	147.8	75%	0.753	73%	0.731	S	S	*	*			trans	-147.6	138	153	-103.8	-82.8	0	0	0	110.3
616	P	29.7	Very low	35.4	Very low	108 Å²	108	148.9 Å²	148.9	70%	0.701	73%	0.726	S	S	*	*			trans	-66.9	137	178.2	-8.9	25.4	0	0	0	109.6	D618	P616-D618 PolarHBondContact O-N 2.89Å
617	K	27.9	Very low	34.9	Very low	199 Å²	199	145.3 Å²	145.3	87%	0.865	72%	0.722	S	S	*	*			trans	-71.3	93.5	168.6	-68.5	-179	176.1	-176	0	108.3
618	D	32	Very low	34	Very low	139 Å²	139	150.1 Å²	150.1	74%	0.743	74%	0.739	S	S	*	*			trans	-98.6	104.1	159.8	-102.5	-27	0	0	0	109	P616 S620	P616-D618 PolarHBondContact O-N 2.89Å; D618-S620 PolarHBondContact O-N 3.17Å
619	D	31.6	Very low	33	Very low	152 Å²	152	157.4 Å²	157.4	81%	0.813	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	23.6	-175.9	-111.1	-18.1	0	0	0	113.3
620	S	33.2	Very low	32.2	Very low	93 Å²	93	162.6 Å²	162.6	65%	0.65	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-5.3	-169.2	60.7	0	0	0	0	115.5	D618	D618-S620 PolarHBondContact O-N 3.17Å
621	L	31.2	Very low	31.5	Very low	154 Å²	154	160.5 Å²	160.5	81%	0.806	79%	0.793	S	S	*	*	S	Bend	trans	-102.9	0.6	-176.3	-103.7	144.2	0	0	0	115.2
622	M	31.7	Very low	31	Very low	168 Å²	168	166.9 Å²	166.9	83%	0.828	80%	0.796	S	S	*	*	S	Bend	trans	-100.2	16.6	-179.2	-71.9	-72.2	-86.4	0	0	114.3
623	R	29.3	Very low	30.5	Very low	228 Å²	228	169.7 Å²	169.7	86%	0.86	82%	0.818	S	S	*	*	S	Bend	trans	-117	5.9	179	-86.9	-173.9	-179.7	173.2	2.1	115.8
624	Y	29	Very low	30.5	Very low	209 Å²	209	167.8 Å²	167.8	82%	0.82	82%	0.817	S	S	*	*			trans	-140.1	125.5	169.1	-86.9	-91.9	0	0	0	107.3
625	L	30.7	Very low	30.6	Very low	223 Å²	223	169.5 Å²	169.5	100%	1.168	82%	0.819	S	S	*	*			trans	87.8	0	-173.2	-49.3	170.8	0	0	0	114.8

Retrieved 625 of 625 residues in 1476.2 ms (Link to these results)

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