A0A096MJG4_RAT Loading...

Cartilage acidic protein 1

AlphaFold DB , UniProt , Accession A0A096MJG4, Species RAT (Rattus norvegicus, Rat), Gene Crtac1, Length 652 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	38.2	Very low	36.1	Very low	240 Å²	240	147.3 Å²	147.3	100%	1.182	88%	0.877	S	S	*	*				0	110.8	0	-79.4	171.7	170.4	0	0	107
2	A	29.7	Very low	35.7	Very low	104 Å²	104	149.3 Å²	149.3	86%	0.86	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-75.5	134.1	176.7	0	0	0	0	0	109.8
3	P	47.6	Very low	35.5	Very low	125 Å²	125	144.2 Å²	144.2	81%	0.812	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-96.5	125.6	158.6	17.7	0.2	0	0	0	109.3
4	S	38.8	Very low	35.2	Very low	119 Å²	119	145.5 Å²	145.5	83%	0.832	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-63.4	140.6	179.7	44.7	0	0	0	0	113.4
5	A	34.9	Very low	35.1	Very low	100 Å²	100	146.5 Å²	146.5	83%	0.826	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-67.3	142.9	168.8	0	0	0	0	0	111.7
6	D	36.5	Very low	35	Very low	161 Å²	161	147.9 Å²	147.9	86%	0.861	86%	0.86	S	S	*	*			trans	-126.9	128.2	171.6	-139.7	-1.9	0	0	0	108.8
7	P	44.2	Very low	34.8	Very low	125 Å²	125	148.9 Å²	148.9	81%	0.812	86%	0.86	S	S	*	*			trans	-96.6	128.7	-172.6	34.8	-28.3	0	0	0	111.6
8	G	31.2	Very low	34.7	Very low	76 Å²	76	146.3 Å²	146.3	78%	0.784	85%	0.849	S	S	*	*			trans	-134.9	97.6	-174.9	0	0	0	0	0	114.3
9	M	32.2	Very low	34.9	Very low	190 Å²	190	144.1 Å²	144.1	94%	0.936	84%	0.84	S	S	*	*			trans	56.1	103.5	147.4	-90.5	174.3	168.8	0	0	120.7	R11	M9-R11 PolarHBondContact O-N 3.37Å
10	V	31.3	Very low	34.8	Very low	137 Å²	137	145.1 Å²	145.1	83%	0.83	84%	0.841	S	S	*	*			trans	-59.2	112.8	158.5	177.4	0	0	0	0	110.6
11	R	32.7	Very low	34.7	Very low	243 Å²	243	149.1 Å²	149.1	92%	0.917	84%	0.842	S	S	*	*			trans	-95	105.5	162.5	-90	-176.7	169.6	-178.1	-2.5	108.9	M9 A13	M9-R11 PolarHBondContact O-N 3.37Å; R11-A13 PolarHBondContact O-N 3.19Å
12	M	31	Very low	34.5	Very low	172 Å²	172	145.7 Å²	145.7	85%	0.847	83%	0.828	S	S	*	*			trans	-76.5	93.9	176.6	-140.8	159.9	146.8	0	0	108.7
13	A	33.4	Very low	34.5	Very low	82 Å²	82	148.1 Å²	148.1	68%	0.678	83%	0.825	S	S	*	*			trans	-87.7	108.4	172.5	0	0	0	0	0	109	R11 L15	R11-A13 PolarHBondContact O-N 3.19Å; A13-L15 PolarHBondContact O-N 3.09Å; A13-L15 VanDerWaalsContact O-N 3.09Å
14	L	31.2	Very low	33.8	Very low	163 Å²	163	147 Å²	147	85%	0.853	82%	0.819	S	S	*	*			trans	-64.7	102.7	169.1	-84.7	92.4	0	0	0	109.2
15	L	34	Very low	33.5	Very low	160 Å²	160	150.1 Å²	150.1	84%	0.838	83%	0.825	S	S	*	*			trans	-83.8	109.4	167.4	-85.7	141.9	0	0	0	108.7	A13 L17	A13-L15 PolarHBondContact O-N 3.09Å; A13-L15 VanDerWaalsContact O-N 3.09Å; L15-L17 PolarHBondContact O-N 3.29Å
16	L	34.1	Very low	33.5	Very low	169 Å²	169	151.4 Å²	151.4	89%	0.885	82%	0.823	S	S	*	*			trans	-63.3	113.1	171.1	-75.7	151.7	0	0	0	109.5
17	L	31	Very low	33.3	Very low	165 Å²	165	147.4 Å²	147.4	86%	0.864	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-65.5	123.8	173.1	-82.9	151.5	0	0	0	110.2	L15	L15-L17 PolarHBondContact O-N 3.29Å
18	P	33.3	Very low	32.7	Very low	103 Å²	103	144.3 Å²	144.3	67%	0.669	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-71.5	146.5	171.7	-4.9	21	0	0	0	109.9	L20	P18-L20 PolarHBondContact O-N 3.43Å
19	P	37.8	Very low	33.2	Very low	104 Å²	104	145.6 Å²	145.6	68%	0.675	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-67.2	132.5	-176.1	23.1	-24.4	0	0	0	110.4	W21	P19-W21 VanDerWaalsContact O-CD1 3.3Å; P19-W21 PolarHBondContact O-N 3.04Å
20	L	32.7	Very low	33.7	Very low	163 Å²	163	145.8 Å²	145.8	85%	0.853	81%	0.805	S	S	*	*			trans	-61.7	105.4	170.5	-93	83.8	0	0	0	108.8	P18 L22	P18-L20 PolarHBondContact O-N 3.43Å; L20-L22 PolarHBondContact O-N 2.69Å
21	W	34.5	Very low	34.8	Very low	231 Å²	231	149.8 Å²	149.8	88%	0.875	81%	0.806	S	S	*	*			trans	-72.1	104.4	163.5	-75.7	61.9	0	0	0	107.2	P19 L23	P19-W21 VanDerWaalsContact O-CD1 3.3Å; P19-W21 PolarHBondContact O-N 3.04Å; W21-L23 VanDerWaalsContact C-N 3.28Å; W21-L23 PolarHBondContact O-N 2.99Å
22	L	32.3	Very low	36.8	Very low	167 Å²	167	140.9 Å²	140.9	87%	0.874	78%	0.784	S	S	*	*			trans	-60.4	92.6	165.9	-81	140.4	0	0	0	108	L20	L20-L22 PolarHBondContact O-N 2.69Å
23	L	31.3	Very low	39.7	Very low	155 Å²	155	139.3 Å²	139.3	81%	0.812	77%	0.774	S	S	*	*			trans	-57.6	123.6	163.2	-85.1	144.2	0	0	0	107.1	W21 L25	W21-L23 VanDerWaalsContact C-N 3.28Å; W21-L23 PolarHBondContact O-N 2.99Å; L23-L25 PolarHBondContact O-N 3.44Å
24	P	32.5	Very low	42.7	Very low	103 Å²	103	138.1 Å²	138.1	67%	0.669	76%	0.759	S	S	*	*			trans	-59.2	131.5	174.1	-10.9	23.8	0	0	0	107.1	T26	P24-T26 PolarHBondContact O-N 3.18Å
25	L	31.6	Very low	45.8	Very low	184 Å²	184	130.5 Å²	130.5	96%	0.963	72%	0.72	S	S	*	*			trans	-59.9	81.3	162.3	-77.9	148.6	0	0	0	107.3	L23 G27	L23-L25 PolarHBondContact O-N 3.44Å; L25-G27 PolarHBondContact O-N 3.46Å
26	T	35.2	Very low	48.9	Very low	127 Å²	127	122.9 Å²	122.9	78%	0.779	68%	0.68	S	S	*	*			trans	-65	90.5	155.6	51.4	0	0	0	0	104.1	P24 G28	P24-T26 PolarHBondContact O-N 3.18Å; T26-G28 PolarHBondContact O-N 2.89Å
27	G	31.7	Very low	52	Low	77 Å²	77	117.4 Å²	117.4	79%	0.794	65%	0.654	S	S	*	*			trans	-61.8	72	157.4	0	0	0	0	0	106.9	L25 S29	L25-G27 PolarHBondContact O-N 3.46Å; G27-S29 PolarHBondContact O-N 3.3Å
28	G	32.8	Very low	55.2	Low	59 Å²	59	111.8 Å²	111.8	61%	0.608	63%	0.631	S	S	*	*			trans	-62.3	102.6	159.8	0	0	0	0	0	103.5	T26 Q30	T26-G28 PolarHBondContact O-N 2.89Å; G28-Q30 VanDerWaalsContact C-N 3.26Å; G28-Q30 PolarHBondContact O-N 2.92Å
29	S	41.8	Very low	58.3	Low	103 Å²	103	108 Å²	108	72%	0.72	61%	0.606	S	S	*	*			trans	-46.7	107.6	154.7	54.8	0	0	0	0	104.6	G27 R31	G27-S29 PolarHBondContact O-N 3.3Å; S29-R31 PolarHBondContact O-N 2.97Å
30	Q	41.5	Very low	61.2	Low	194 Å²	194	103.8 Å²	103.8	91%	0.907	58%	0.578	S	S	*	*			trans	-53.4	105	163.4	-82	175.8	-25.8	0	0	103.6	G28 A32	G28-Q30 VanDerWaalsContact C-N 3.26Å; G28-Q30 PolarHBondContact O-N 2.92Å; Q30-A32 PolarHBondContact O-N 3.14Å
31	R	54	Low	64.3	Low	222 Å²	222	102.4 Å²	102.4	84%	0.838	57%	0.571	S	S	*	*			trans	-66.6	110.7	-177.4	-160.5	174.5	-174	-177.8	-0.7	103.2	S29 E33	S29-R31 PolarHBondContact O-N 2.97Å; R31-E33 PolarHBondContact O-N 3.04Å
32	A	76.3	Confident	67.3	Low	55 Å²	55	95 Å²	95	46%	0.455	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-48.7	132.2	-178.6	0	0	0	0	0	108.7	Q30 N394	Q30-A32 PolarHBondContact O-N 3.14Å; A32-N394 HydrophobicContact CB-CB 4.05Å; A32-N394 PolarHBondContact O-ND2 2.78Å
33	E	90.4	Very high	70.4	Confident	140 Å²	140	87.4 Å²	87.4	65%	0.654	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-58.3	136.7	-177.8	-69.7	-169.3	166.1	0	0	109.5	R31 M35	R31-E33 PolarHBondContact O-N 3.04Å; E33-M35 PolarHBondContact O-N 2.96Å
34	P	96.7	Very high	73.6	Confident	56 Å²	56	80 Å²	80	36%	0.364	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	128.8	-178.9	27	-33.1	0	0	0	110.3	G396 N439	P34-G396 VanDerWaalsContact CB-CA 3.46Å; P34-N439 PolarHBondContact O-ND2 2.87Å
35	M	97.6	Very high	76.7	Confident	3 Å²	3	76.4 Å²	76.4	2%	0.015	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	-44	175.7	179.4	57.6	78	0	0	111.3	E33 F354 D355 E361 L377 L393 N394 G438 N439	E33-M35 PolarHBondContact O-N 2.96Å; M35-F354 HydrophobicContact SD-CB 4.27Å; M35-D355 HydrophobicContact CE-CB 4.26Å; M35-D355 HydrophobicContact SD-CB 4.26Å; M35-E361 HydrophobicContact CE-CG 4.46Å; M35-L377 HydrophobicContact CB-CD2 3.52Å; M35-L377 HydrophobicContact CG-CD2 3.68Å; M35-L393 HydrophobicContact CE-CD1 3.89Å; M35-N394 PolarHBondContact N-O 2.78Å; M35-G438 CarbonylContact O-C 3.46Å; M35-G438 WeakPolarHBondContact O-CA 3.19Å; M35-N439 WeakPolarHBondContact O-CB 3.23Å; M35-N439 PolarHBondContact O-N 3.01Å
36	F	98.5	Very high	79.9	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	146.8	-171.2	-57.9	-71.8	0	0	0	114.4	F354 F363 L377 P395 D397 A398 L421 F436 R437 N439	F36-F354 HydrophobicContact CE1-CB 4.17Å; F36-F354 AromaticContact CE1-CD1 3.6Å; F36-F354 HydrophobicContact CE1-CD1 3.6Å; F36-F354 HydrophobicContact CE1-CD2 4.39Å; F36-F354 AromaticContact CE1-CE1 3.99Å; F36-F354 HydrophobicContact CE1-CE1 3.99Å; F36-F354 AromaticContact CE1-CG 3.81Å; F36-F354 HydrophobicContact CE1-CG 3.81Å; F36-F354 HydrophobicContact CZ-CB 4.21Å; F36-F354 AromaticContact CZ-CD1 3.72Å; F36-F354 HydrophobicContact CZ-CD1 3.72Å; F36-F354 AromaticContact CZ-CD2 3.73Å; F36-F354 HydrophobicContact CZ-CD2 3.73Å; F36-F354 AromaticContact CZ-CE1 3.89Å; F36-F354 HydrophobicContact CZ-CE1 3.89Å; F36-F354 AromaticContact CZ-CE2 3.91Å; F36-F354 HydrophobicContact CZ-CE2 3.91Å; F36-F354 AromaticContact CZ-CG 3.62Å; F36-F354 HydrophobicContact CZ-CG 3.62Å; F36-F354 AromaticContact CZ-CZ 3.97Å; F36-F354 HydrophobicContact CZ-CZ 3.97Å; F36-F363 HydrophobicContact CE2-CD2 4.41Å; F36-L377 HydrophobicContact CD2-CD2 4.48Å; F36-L377 HydrophobicContact CE2-CD1 4.24Å; F36-L377 HydrophobicContact CE2-CD2 3.89Å; F36-P395 VanDerWaalsContact CB-O 3.31Å; F36-P395 WeakPolarHBondContact CB-O 3.22Å; F36-P395 WeakPolarHBondContact CD2-O 3.31Å; F36-P395 PolarHBondContact N-O 2.86Å; F36-D397 PolarHBondContact O-N 3.42Å; F36-D397 VanDerWaalsContact O-N 3.13Å; F36-A398 HydrophobicContact CB-CB 3.82Å; F36-A398 HydrophobicContact CD2-CB 3.67Å; F36-A398 HydrophobicContact CG-CB 3.99Å; F36-L421 HydrophobicContact CE1-CB 4.37Å; F36-L421 HydrophobicContact CE2-CD2 4.35Å; F36-L421 HydrophobicContact CZ-CD2 4.35Å; F36-F436 HydrophobicContact CB-CB 4.03Å; F36-F436 HydrophobicContact CD1-CB 4.28Å; F36-F436 HydrophobicContact CG-CB 4.35Å; F36-R437 VanDerWaalsContact CA-O 3.29Å; F36-R437 WeakPolarHBondContact CA-O 3.45Å; F36-N439 PolarHBondContact O-ND2 3.13Å
37	T	98.2	Very high	82.8	Confident	55 Å²	55	67.4 Å²	67.4	34%	0.337	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138	165.7	-75.6	0	0	0	0	110.8	V39 D397 F436 R437 N439	T37-V39 PolarHBondContact O-N 2.92Å; T37-D397 WeakPolarHBondContact CA-OD2 3.49Å; T37-F436 WeakPolarHBondContact O-CA 3.44Å; T37-R437 PolarHBondContact N-O 2.79Å; T37-R437 PolarHBondContact O-N 2.86Å; T37-N439 WeakPolarHBondContact CB-OD1 3.17Å; T37-N439 PolarHBondContact N-ND2 3.12Å; T37-N439 PolarHBondContact OG1-ND2 2.83Å; T37-N439 PolarHBondContact OG1-OD1 3.32Å
38	A	98.4	Very high	85.7	Confident	46 Å²	46	72.8 Å²	72.8	38%	0.38	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	126.5	178.3	0	0	0	0	0	111	D397 F436	A38-D397 HydrophobicContact CB-CB 3.79Å; A38-D397 PolarHBondContact N-OD2 3.02Å; A38-F436 HydrophobicContact CB-CD1 3.93Å; A38-F436 HydrophobicContact CB-CE1 3.84Å
39	V	98.2	Very high	88.6	Confident	24 Å²	24	72.8 Å²	72.8	15%	0.145	39%	0.389	C	S	.	.			trans	-119.6	9.8	176.1	-62.3	0	0	0	0	112.7	T37 N41 S42 V43 V435 R437	T37-V39 PolarHBondContact O-N 2.92Å; V39-N41 VanDerWaalsContact C-N 3.31Å; V39-N41 PolarHBondContact O-N 2.96Å; V39-S42 PolarHBondContact O-N 3.38Å; V39-S42 PolarHBondContact O-OG 3.46Å; V39-V43 HydrophobicContact CB-CG2 4.12Å; V39-V43 HydrophobicContact CG2-CB 4.47Å; V39-V43 HydrophobicContact CG2-CG2 3.96Å; V39-V43 PolarHBondContact O-N 2.96Å; V39-V435 HydrophobicContact CG2-CB 4.12Å; V39-V435 HydrophobicContact CG2-CG1 3.71Å; V39-V435 PolarHBondContact N-O 3.04Å; V39-R437 HydrophobicContact CB-CG 4.29Å; V39-R437 HydrophobicContact CG1-CB 4.47Å; V39-R437 HydrophobicContact CG1-CG 3.77Å; V39-R437 HydrophobicContact CG2-CG 3.58Å
40	T	98.5	Very high	91.3	Very high	15 Å²	15	68.3 Å²	68.3	9%	0.092	36%	0.357	C	S	.	.	H	α-helix	trans	-47.3	-51.3	178.6	-47.3	0	0	0	0	112	S42 V43 L44 P45 L433 S434 V435	T40-S42 PolarHBondContact O-N 3.34Å; T40-V43 PolarHBondContact O-N 2.83Å; T40-L44 WeakPolarHBondContact CG2-O 3.27Å; T40-L44 CarbonylContact O-C 3.54Å; T40-L44 WeakPolarHBondContact O-CA 3.19Å; T40-L44 PolarHBondContact O-N 2.91Å; T40-L44 VanDerWaalsContact O-O 3.09Å; T40-P45 WeakPolarHBondContact O-CA 3.38Å; T40-L433 VanDerWaalsContact CG2-O 3.23Å; T40-L433 WeakPolarHBondContact CG2-O 3.33Å; T40-S434 WeakPolarHBondContact OG1-CA 3.4Å; T40-V435 PolarHBondContact N-O 3.1Å; T40-V435 PolarHBondContact OG1-N 2.78Å; T40-V435 PolarHBondContact OG1-O 3.12Å
41	N	98	Very high	93.9	Very high	134 Å²	134	59.1 Å²	59.1	72%	0.717	31%	0.314	S	S	*	.	H	α-helix	trans	-65.5	-24.2	-175.9	-68.5	-38.7	0	0	0	114.3	V39	V39-N41 VanDerWaalsContact C-N 3.31Å; V39-N41 PolarHBondContact O-N 2.96Å
42	S	97.2	Very high	96	Very high	75 Å²	75	49 Å²	49	52%	0.524	28%	0.278	S	S	.	.	H	α-helix	trans	-90.8	-41.9	177.4	41.4	0	0	0	0	112.4	V39 T40 R92	V39-S42 PolarHBondContact O-N 3.38Å; V39-S42 PolarHBondContact O-OG 3.46Å; T40-S42 PolarHBondContact O-N 3.34Å; S42-R92 WeakPolarHBondContact O-CG 3.36Å
43	V	98.1	Very high	97	Very high	8 Å²	8	50.9 Å²	50.9	5%	0.048	28%	0.284	C	S	.	.	H	α-helix	trans	-95.8	-38.7	-171	179.3	0	0	0	0	112.1	V39 T40 Y86 R92 L93 F413	V39-V43 HydrophobicContact CB-CG2 4.12Å; V39-V43 HydrophobicContact CG2-CB 4.47Å; V39-V43 HydrophobicContact CG2-CG2 3.96Å; V39-V43 PolarHBondContact O-N 2.96Å; T40-V43 PolarHBondContact O-N 2.83Å; V43-Y86 HydrophobicContact CG1-CE2 4.4Å; V43-R92 CarbonylContact O-C 3.55Å; V43-R92 WeakPolarHBondContact O-CA 3.41Å; V43-R92 WeakPolarHBondContact O-CB 3.38Å; V43-L93 HydrophobicContact CG1-CB 4.43Å; V43-L93 HydrophobicContact CG1-CD1 4.04Å; V43-L93 HydrophobicContact CG1-CG 3.92Å; V43-L93 PolarHBondContact O-N 3.24Å; V43-F413 HydrophobicContact CG1-CE2 3.89Å; V43-F413 HydrophobicContact CG1-CZ 3.83Å
44	L	98.5	Very high	97.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	-143.5	62.4	-175.8	-174.5	60.2	0	0	0	110.4	T40 N51 L84 L93 L433 V435	T40-L44 WeakPolarHBondContact CG2-O 3.27Å; T40-L44 CarbonylContact O-C 3.54Å; T40-L44 WeakPolarHBondContact O-CA 3.19Å; T40-L44 PolarHBondContact O-N 2.91Å; T40-L44 VanDerWaalsContact O-O 3.09Å; L44-N51 HydrophobicContact CD1-CB 3.98Å; L44-N51 HydrophobicContact CD2-CB 4.49Å; L44-N51 HydrophobicContact CG-CB 3.83Å; L44-N51 PolarHBondContact O-ND2 3.42Å; L44-L84 HydrophobicContact CD1-CD1 4.2Å; L44-L84 HydrophobicContact CD1-CD2 4.34Å; L44-L84 HydrophobicContact CD2-CD1 3.67Å; L44-L93 HydrophobicContact CB-CB 4.23Å; L44-L93 HydrophobicContact CB-CD1 4.32Å; L44-L93 HydrophobicContact CD1-CB 3.83Å; L44-L93 HydrophobicContact CD2-CD1 4.17Å; L44-L93 HydrophobicContact CG-CB 4.4Å; L44-L433 HydrophobicContact CD2-CB 4.17Å; L44-L433 HydrophobicContact CD2-CD1 4.05Å; L44-V435 HydrophobicContact CB-CG2 4.02Å; L44-V435 HydrophobicContact CD2-CG2 3.94Å
45	P	97.9	Very high	97.2	Very high	27 Å²	27	44 Å²	44	18%	0.175	25%	0.248	C	C	.	.			trans	-62.3	143.4	-175.1	25.2	-34.3	0	0	0	110.7	T40 D47	T40-P45 WeakPolarHBondContact O-CA 3.38Å; P45-D47 PolarHBondContact O-N 3.47Å
46	P	97.7	Very high	97.2	Very high	65 Å²	65	43.9 Å²	43.9	42%	0.422	25%	0.247	S	C	.	.			trans	-53.9	124	175.7	-27.7	36.1	0	0	0	112.1	N51 P432	P46-N51 WeakPolarHBondContact CA-O 3.34Å; P46-P432 HydrophobicContact CB-CB 4.25Å; P46-P432 HydrophobicContact CB-CG 3.93Å; P46-P432 HydrophobicContact CG-CB 4.07Å; P46-P432 HydrophobicContact CG-CG 3.98Å
47	D	96.1	Very high	97.1	Very high	58 Å²	58	44.8 Å²	44.8	31%	0.31	25%	0.25	S	S	.	.			trans	-152.7	177.5	176.6	66.4	39.6	0	0	0	110.1	P45 D49 S50 N51 P52 R92	P45-D47 PolarHBondContact O-N 3.47Å; D47-D49 VanDerWaalsContact C-N 3.32Å; D47-D49 PolarHBondContact O-N 3.34Å; D47-D49 PolarHBondContact OD1-N 3.12Å; D47-S50 WeakPolarHBondContact OD1-CA 3.45Å; D47-S50 PolarHBondContact OD1-N 2.72Å; D47-N51 PolarHBondContact N-O 3.42Å; D47-N51 CarbonylContact O-C 3.56Å; D47-N51 PolarHBondContact OD1-N 2.82Å; D47-N51 VanDerWaalsContact OD1-N 3.12Å; D47-P52 WeakPolarHBondContact O-CA 3.28Å; D47-R92 IonicContact OD2-NH2 2.72Å
48	Y	93.7	Very high	97	Very high	190 Å²	190	42.1 Å²	42.1	75%	0.745	23%	0.234	S	C	*	.	S	Bend	trans	-75.7	-17.2	-175.7	-179.7	-98.9	0	0	0	114.2
49	D	94.4	Very high	96.9	Very high	59 Å²	59	40 Å²	40	32%	0.316	22%	0.216	S	C	.	.	S	Bend	trans	-114.8	-51	-166	-171.7	33.8	0	0	0	113.3	D47 N95 R109	D47-D49 VanDerWaalsContact C-N 3.32Å; D47-D49 PolarHBondContact O-N 3.34Å; D47-D49 PolarHBondContact OD1-N 3.12Å; D49-N95 PolarHBondContact O-ND2 3.34Å; D49-R109 IonicContact OD1-NH1 3.87Å; D49-R109 PolarHBondContact OD1-NH1 3.45Å
50	S	96.6	Very high	96.9	Very high	9 Å²	9	38.9 Å²	38.9	6%	0.063	21%	0.21	C	C	.	.	S	Bend	trans	-92.4	-33.6	-179.1	-59.8	0	0	0	0	113.4	D47 L84 N95	D47-S50 WeakPolarHBondContact OD1-CA 3.45Å; D47-S50 PolarHBondContact OD1-N 2.72Å; S50-L84 WeakPolarHBondContact O-CD2 3.31Å; S50-N95 PolarHBondContact OG-N 2.88Å
51	N	97.8	Very high	96.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-139.3	63	177.5	-163.6	9.3	0	0	0	113.2	L44 P46 D47 P432 L433	L44-N51 HydrophobicContact CD1-CB 3.98Å; L44-N51 HydrophobicContact CD2-CB 4.49Å; L44-N51 HydrophobicContact CG-CB 3.83Å; L44-N51 PolarHBondContact O-ND2 3.42Å; P46-N51 WeakPolarHBondContact CA-O 3.34Å; D47-N51 PolarHBondContact N-O 3.42Å; D47-N51 CarbonylContact O-C 3.56Å; D47-N51 PolarHBondContact OD1-N 2.82Å; D47-N51 VanDerWaalsContact OD1-N 3.12Å; N51-P432 WeakPolarHBondContact OD1-CB 3.13Å; N51-L433 PolarHBondContact ND2-O 3.1Å; N51-L433 VanDerWaalsContact ND2-O 3.1Å; N51-L433 WeakPolarHBondContact OD1-CB 3.21Å; N51-L433 PolarHBondContact OD1-N 2.6Å
52	P	97	Very high	96.9	Very high	10 Å²	10	31.9 Å²	31.9	7%	0.065	17%	0.172	C	C	.	.			trans	-62.8	143.9	179.7	25.7	-34.2	0	0	0	112.4	D47 Q54 L82	D47-P52 WeakPolarHBondContact O-CA 3.28Å; P52-Q54 VanDerWaalsContact C-N 3.28Å; P52-Q54 HydrophobicContact CB-CB 4.46Å; P52-Q54 HydrophobicContact CB-CG 4.24Å; P52-Q54 HydrophobicContact CG-CG 3.93Å; P52-Q54 VanDerWaalsContact CG-OE1 3.23Å; P52-Q54 PolarHBondContact O-N 2.81Å; P52-L82 HydrophobicContact CG-CD1 4.23Å; P52-L82 HydrophobicContact CG-CD2 4.1Å
53	T	97	Very high	97	Very high	95 Å²	95	29 Å²	29	58%	0.583	15%	0.15	S	C	*	.	S	Bend	trans	-72.7	88.1	164.2	-56.3	0	0	0	0	108.4	A430 P432	T53-A430 HydrophobicContact CG2-CB 3.98Å; T53-P432 WeakPolarHBondContact OG1-CG 3.29Å
54	Q	96.2	Very high	97	Very high	20 Å²	20	28.6 Å²	28.6	9%	0.093	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-138.1	-175.1	179.8	70.3	-179.1	35.5	0	0	110.8	P52 N56 P80 A430 Q431	P52-Q54 VanDerWaalsContact C-N 3.28Å; P52-Q54 HydrophobicContact CB-CB 4.46Å; P52-Q54 HydrophobicContact CB-CG 4.24Å; P52-Q54 HydrophobicContact CG-CG 3.93Å; P52-Q54 VanDerWaalsContact CG-OE1 3.23Å; P52-Q54 PolarHBondContact O-N 2.81Å; Q54-N56 WeakPolarHBondContact CG-OD1 3.27Å; Q54-N56 PolarHBondContact NE2-OD1 2.91Å; Q54-P80 PolarHBondContact NE2-O 3.4Å; Q54-A430 VanDerWaalsContact O-CA 3.31Å; Q54-A430 WeakPolarHBondContact O-CA 3.47Å; Q54-Q431 PolarHBondContact O-N 3.3Å
55	L	96.3	Very high	96.9	Very high	32 Å²	32	30.2 Å²	30.2	17%	0.168	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	103.5	172.6	-55.8	172.1	0	0	0	107.8	Y57 Y77 M429 A430	L55-Y57 HydrophobicContact CB-CE2 4.17Å; L55-Y77 HydrophobicContact CB-CD1 4.41Å; L55-Y77 HydrophobicContact CD1-CD1 3.75Å; L55-Y77 HydrophobicContact CD1-CE1 4.3Å; L55-Y77 PolarHBondContact O-N 2.79Å; L55-M429 VanDerWaalsContact CD2-C 3.45Å; L55-A430 HydrophobicContact CD2-CB 4.31Å
56	N	97	Very high	96.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	152.8	173.8	-60.4	-61.7	0	0	0	108.9	Q54 V74 A75 T406 H425 L433	Q54-N56 WeakPolarHBondContact CG-OD1 3.27Å; Q54-N56 PolarHBondContact NE2-OD1 2.91Å; N56-V74 HydrophobicContact CB-CG1 3.87Å; N56-A75 WeakPolarHBondContact CA-O 3.45Å; N56-T406 PolarHBondContact O-OG1 2.78Å; N56-H425 PolarHBondContact N-O 2.78Å; N56-H425 CarbonylContact O-C 3.57Å; N56-H425 VanDerWaalsContact O-O 3.13Å; N56-L433 HydrophobicContact CB-CD2 3.96Å
57	Y	95.8	Very high	96.7	Very high	18 Å²	18	35.2 Å²	35.2	7%	0.071	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	-119.4	-178.2	-76.5	-98	0	0	0	110.6	L55 A75 Y77 I116 T406 S424 E427 L485	L55-Y57 HydrophobicContact CB-CE2 4.17Å; Y57-A75 PolarHBondContact N-O 3.27Å; Y57-Y77 HydrophobicContact CD2-CG 4.41Å; Y57-Y77 HydrophobicContact CE2-CD1 4.48Å; Y57-Y77 HydrophobicContact CE2-CD2 4.04Å; Y57-Y77 AromaticContact CE2-CG 3.75Å; Y57-Y77 HydrophobicContact CE2-CG 3.75Å; Y57-I116 WeakPolarHBondContact CB-O 3.44Å; Y57-I116 HydrophobicContact CD1-CB 4.12Å; Y57-I116 HydrophobicContact CD1-CG2 4.06Å; Y57-I116 HydrophobicContact CD2-CG2 4.06Å; Y57-I116 HydrophobicContact CE1-CG2 4.18Å; Y57-I116 HydrophobicContact CE2-CG2 4.2Å; Y57-I116 HydrophobicContact CG-CB 4.07Å; Y57-I116 HydrophobicContact CG-CG2 3.99Å; Y57-T406 HydrophobicContact CD1-CG2 4.17Å; Y57-T406 HydrophobicContact CE1-CG2 4.26Å; Y57-S424 VanDerWaalsContact O-CB 3.22Å; Y57-S424 WeakPolarHBondContact O-CB 3.28Å; Y57-S424 PolarHBondContact O-OG 2.87Å; Y57-E427 HydrophobicContact CE1-CB 4.06Å; Y57-E427 VanDerWaalsContact OH-CA 3.3Å; Y57-E427 WeakPolarHBondContact OH-CA 3.38Å; Y57-L485 HydrophobicContact CD1-CD1 4.07Å
58	G	96.1	Very high	96.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52	145.9	-179.7	0	0	0	0	0	113.3	A75 I116 L485	G58-A75 WeakPolarHBondContact O-CB 3.46Å; G58-A75 PolarHBondContact O-N 2.83Å; G58-I116 WeakPolarHBondContact CA-O 3.23Å; G58-I116 PolarHBondContact N-O 2.86Å; G58-L485 WeakPolarHBondContact CA-O 3.49Å
59	V	97.8	Very high	96.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133.9	177	-172	0	0	0	0	108.4	I72 V73 V74 V409 C486 E487	V59-I72 HydrophobicContact CG1-CG2 3.35Å; V59-V73 CarbonylContact C-O 3.59Å; V59-V73 VanDerWaalsContact CA-O 3.29Å; V59-V73 WeakPolarHBondContact CA-O 3.39Å; V59-V74 HydrophobicContact CG1-CG2 4.18Å; V59-V74 HydrophobicContact CG2-CG1 4.38Å; V59-V74 HydrophobicContact CG2-CG2 4.35Å; V59-V409 HydrophobicContact CB-CG1 3.85Å; V59-V409 HydrophobicContact CB-CG2 4.23Å; V59-V409 HydrophobicContact CG1-CB 4.29Å; V59-V409 HydrophobicContact CG1-CG1 3.83Å; V59-V409 HydrophobicContact CG1-CG2 3.49Å; V59-V409 VanDerWaalsContact CG1-CG2 3.49Å; V59-V409 WeakPolarHBondContact O-CG1 3.39Å; V59-C486 CarbonylContact O-C 3.49Å; V59-C486 WeakPolarHBondContact O-CA 3.5Å; V59-C486 VanDerWaalsContact O-CB 3.31Å; V59-C486 WeakPolarHBondContact O-CB 3.49Å; V59-E487 PolarHBondContact O-N 3.17Å
60	A	98.2	Very high	96.8	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	154.5	174.7	0	0	0	0	0	110.3	V73 V118 E487	A60-V73 PolarHBondContact N-O 2.63Å; A60-V73 PolarHBondContact O-N 3.04Å; A60-V118 HydrophobicContact CB-CB 4.36Å; A60-V118 HydrophobicContact CB-CG1 3.76Å; A60-V118 HydrophobicContact CB-CG2 3.97Å; A60-E487 VanDerWaalsContact CA-O 3.3Å; A60-E487 WeakPolarHBondContact CA-O 3.46Å; A60-E487 HydrophobicContact CB-CB 4Å
61	V	98.4	Very high	96.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.9	174.5	-178.5	0	0	0	0	109.9	F70 E71 I72 V409 T411 R460 E487 E489	V61-F70 HydrophobicContact CG1-CB 3.69Å; V61-F70 HydrophobicContact CG1-CD1 4.4Å; V61-F70 HydrophobicContact CG1-CG 4.06Å; V61-E71 WeakPolarHBondContact CA-O 3.06Å; V61-I72 HydrophobicContact CG2-CG1 4.4Å; V61-V409 HydrophobicContact CG2-CB 3.89Å; V61-V409 HydrophobicContact CG2-CG1 4.11Å; V61-V409 HydrophobicContact CG2-CG2 3.79Å; V61-T411 HydrophobicContact CG2-CG2 4.36Å; V61-R460 PolarHBondContact O-NH2 2.88Å; V61-E487 PolarHBondContact N-O 2.75Å; V61-E489 HydrophobicContact CB-CB 4.05Å; V61-E489 HydrophobicContact CG1-CB 3.75Å
62	T	98.1	Very high	97	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.018	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	165.3	-179.6	-173	0	0	0	0	110.8	V64 E71 V73 A120 E129 I131	T62-V64 HydrophobicContact CG2-CG2 3.66Å; T62-V64 PolarHBondContact O-N 3.44Å; T62-E71 PolarHBondContact N-O 2.81Å; T62-E71 VanDerWaalsContact N-O 3.11Å; T62-E71 WeakPolarHBondContact O-CA 3.49Å; T62-E71 PolarHBondContact O-N 3.28Å; T62-E71 VanDerWaalsContact O-O 3.14Å; T62-V73 HydrophobicContact CG2-CG2 4.01Å; T62-A120 HydrophobicContact CG2-CB 3.71Å; T62-E129 WeakPolarHBondContact CB-OE2 3.3Å; T62-E129 PolarHBondContact OG1-OE2 2.81Å; T62-I131 HydrophobicContact CG2-CD1 4.37Å; T62-I131 HydrophobicContact CG2-CG1 4.48Å
63	D	97.9	Very high	97	Very high	13 Å²	13	25.8 Å²	25.8	7%	0.07	15%	0.145	C	C	.	.			trans	-88.8	91.2	174.9	-178.9	0.4	0	0	0	109.4	H66 D67 G68 F70 F458	D63-H66 VanDerWaalsContact CG-CA 3.45Å; D63-H66 WeakPolarHBondContact OD1-CA 3.45Å; D63-H66 PolarHBondContact OD1-N 3.25Å; D63-H66 WeakPolarHBondContact OD2-CA 3.47Å; D63-D67 PolarHBondContact OD1-N 3.09Å; D63-D67 VanDerWaalsContact OD1-N 3.12Å; D63-D67 PolarHBondContact OD2-N 2.03Å; D63-G68 WeakPolarHBondContact OD2-CA 3.03Å; D63-G68 PolarHBondContact OD2-N 3.34Å; D63-F70 HydrophobicContact CB-CD1 4.49Å; D63-F458 HydrophobicContact CB-CE2 4.06Å; D63-F458 HydrophobicContact CB-CZ 3.96Å
64	V	98.5	Very high	97.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-75.8	-37.9	-172.3	177.9	0	0	0	0	110.7	T62 E71 V73 V83 Y105 L108 R128 I131 W158	T62-V64 HydrophobicContact CG2-CG2 3.66Å; T62-V64 PolarHBondContact O-N 3.44Å; V64-E71 WeakPolarHBondContact CA-OE2 3.17Å; V64-E71 HydrophobicContact CB-CB 4.23Å; V64-E71 HydrophobicContact CB-CG 4.29Å; V64-E71 WeakPolarHBondContact CB-OE2 3.2Å; V64-E71 HydrophobicContact CG2-CB 3.85Å; V64-E71 HydrophobicContact CG2-CG 4.45Å; V64-E71 PolarHBondContact N-OE2 2.9Å; V64-V73 HydrophobicContact CG2-CG2 3.64Å; V64-V83 HydrophobicContact CB-CG1 4.02Å; V64-V83 HydrophobicContact CG1-CG1 3.99Å; V64-V83 HydrophobicContact CG2-CG1 3.82Å; V64-Y105 HydrophobicContact CG1-CD1 4.13Å; V64-Y105 HydrophobicContact CG1-CE1 4.24Å; V64-L108 HydrophobicContact CG1-CD1 3.77Å; V64-R128 PolarHBondContact O-NH2 3.27Å; V64-I131 HydrophobicContact CG1-CD1 4.28Å; V64-I131 HydrophobicContact CG2-CD1 3.93Å; V64-W158 HydrophobicContact CB-CZ2 4.49Å; V64-W158 HydrophobicContact CG1-CZ2 3.7Å; V64-W158 VanDerWaalsContact O-CZ2 3.23Å; V64-W158 WeakPolarHBondContact O-CZ2 3.48Å
65	D	97.1	Very high	97.2	Very high	35 Å²	35	20.3 Å²	20.3	19%	0.187	11%	0.113	C	C	.	.	S	Bend	trans	-93.3	-5.4	179.1	65.6	20.5	0	0	0	115	D67 E71 K85 I96 Y105 R128	D65-D67 WeakPolarHBondContact OD1-CB 3Å; D65-D67 PolarHBondContact OD1-N 2.72Å; D65-E71 PolarHBondContact N-OE2 3.38Å; D65-K85 IonicContact OD1-NZ 2.7Å; D65-K85 PolarHBondContact OD1-NZ 3.04Å; D65-K85 WeakPolarHBondContact OD2-CD 3.2Å; D65-K85 VanDerWaalsContact OD2-CE 3.25Å; D65-K85 WeakPolarHBondContact OD2-CE 3.35Å; D65-K85 IonicContact OD2-NZ 3.63Å; D65-K85 PolarHBondContact OD2-NZ 3.15Å; D65-I96 HydrophobicContact CB-CD1 4.49Å; D65-Y105 HydrophobicContact CB-CE1 3.97Å; D65-Y105 WeakPolarHBondContact CB-OH 3.32Å; D65-R128 PolarHBondContact O-NH2 2.7Å; D65-R128 VanDerWaalsContact O-NH2 3.1Å
66	H	95.5	Very high	97.1	Very high	109 Å²	109	18.8 Å²	18.8	51%	0.505	11%	0.105	S	C	.	.	S	Bend	trans	63.9	40.1	178.4	-163.2	-70.7	0	0	0	112	D63	D63-H66 VanDerWaalsContact CG-CA 3.45Å; D63-H66 WeakPolarHBondContact OD1-CA 3.45Å; D63-H66 PolarHBondContact OD1-N 3.25Å; D63-H66 WeakPolarHBondContact OD2-CA 3.47Å
67	D	95.5	Very high	97	Very high	88 Å²	88	20.9 Å²	20.9	47%	0.471	11%	0.113	S	C	.	.	S	Bend	trans	-103.6	-3.3	175.9	83.9	-5.4	0	0	0	114.2	D63 D65 D69 K85	D63-D67 PolarHBondContact OD1-N 3.09Å; D63-D67 VanDerWaalsContact OD1-N 3.12Å; D63-D67 PolarHBondContact OD2-N 2.03Å; D65-D67 WeakPolarHBondContact OD1-CB 3Å; D65-D67 PolarHBondContact OD1-N 2.72Å; D67-D69 WeakPolarHBondContact OD1-CB 3.48Å; D67-D69 PolarHBondContact OD1-N 3.49Å; D67-K85 IonicContact OD1-NZ 3.65Å; D67-K85 PolarHBondContact OD1-NZ 2.94Å; D67-K85 WeakPolarHBondContact OD2-CE 3.31Å; D67-K85 IonicContact OD2-NZ 3.81Å; D67-K85 PolarHBondContact OD2-NZ 3.01Å
68	G	93.1	Very high	96.7	Very high	46 Å²	46	26.3 Å²	26.3	47%	0.474	14%	0.144	S	C	.	.	S	Bend	trans	93.2	-9.3	179.1	0	0	0	0	0	114.8	D63	D63-G68 WeakPolarHBondContact OD2-CA 3.03Å; D63-G68 PolarHBondContact OD2-N 3.34Å
69	D	95.8	Very high	96.5	Very high	47 Å²	47	26.9 Å²	26.9	25%	0.251	15%	0.149	S	C	.	.	S	Bend	trans	-88.7	148.2	167.8	-67.1	-37.9	0	0	0	109.8	D67 R88	D67-D69 WeakPolarHBondContact OD1-CB 3.48Å; D67-D69 PolarHBondContact OD1-N 3.49Å; D69-R88 IonicContact OD1-CZ 3.17Å; D69-R88 IonicContact OD1-NH1 3.05Å; D69-R88 PolarHBondContact OD1-NH1 3.09Å; D69-R88 IonicContact OD1-NH2 3.37Å; D69-R88 PolarHBondContact OD1-NH2 2.7Å; D69-R88 IonicContact OD2-CZ 2.69Å; D69-R88 IonicContact OD2-NH1 2.66Å; D69-R88 PolarHBondContact OD2-NH1 3.39Å; D69-R88 IonicContact OD2-NH2 3.16Å; D69-R88 PolarHBondContact OD2-NH2 2.98Å
70	F	97.7	Very high	96.4	Very high	33 Å²	33	27.4 Å²	27.4	15%	0.145	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-87.3	138.2	178.6	-66.7	-57.5	0	0	0	112	V61 D63 F458 P490 V491	V61-F70 HydrophobicContact CG1-CB 3.69Å; V61-F70 HydrophobicContact CG1-CD1 4.4Å; V61-F70 HydrophobicContact CG1-CG 4.06Å; D63-F70 HydrophobicContact CB-CD1 4.49Å; F70-F458 HydrophobicContact CD1-CZ 4.29Å; F70-F458 HydrophobicContact CE1-CD1 4.49Å; F70-F458 AromaticContact CE1-CE1 3.64Å; F70-F458 HydrophobicContact CE1-CE1 3.64Å; F70-F458 HydrophobicContact CE1-CE2 4.01Å; F70-F458 AromaticContact CE1-CZ 3.4Å; F70-F458 HydrophobicContact CE1-CZ 3.4Å; F70-F458 AromaticContact CZ-CE1 3.96Å; F70-F458 HydrophobicContact CZ-CE1 3.96Å; F70-F458 HydrophobicContact CZ-CZ 4.17Å; F70-P490 HydrophobicContact CE1-CG 3.64Å; F70-P490 HydrophobicContact CZ-CG 3.94Å; F70-V491 HydrophobicContact CD2-CG2 4.49Å; F70-V491 HydrophobicContact CE2-CG2 3.44Å; F70-V491 VanDerWaalsContact CE2-CG2 3.44Å; F70-V491 HydrophobicContact CZ-CG2 3.67Å
71	E	98.5	Very high	96.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	149.9	168	-75.3	75.7	-118.4	0	0	112	V61 T62 V64 D65 V83 L84 K85 I96	V61-E71 WeakPolarHBondContact CA-O 3.06Å; T62-E71 PolarHBondContact N-O 2.81Å; T62-E71 VanDerWaalsContact N-O 3.11Å; T62-E71 WeakPolarHBondContact O-CA 3.49Å; T62-E71 PolarHBondContact O-N 3.28Å; T62-E71 VanDerWaalsContact O-O 3.14Å; V64-E71 WeakPolarHBondContact CA-OE2 3.17Å; V64-E71 HydrophobicContact CB-CB 4.23Å; V64-E71 HydrophobicContact CB-CG 4.29Å; V64-E71 WeakPolarHBondContact CB-OE2 3.2Å; V64-E71 HydrophobicContact CG2-CB 3.85Å; V64-E71 HydrophobicContact CG2-CG 4.45Å; V64-E71 PolarHBondContact N-OE2 2.9Å; D65-E71 PolarHBondContact N-OE2 3.38Å; E71-V83 HydrophobicContact CB-CG1 3.89Å; E71-V83 HydrophobicContact CG-CG1 4.01Å; E71-L84 WeakPolarHBondContact CA-O 3.43Å; E71-K85 HydrophobicContact CG-CB 3.79Å; E71-K85 HydrophobicContact CG-CG 4.13Å; E71-K85 WeakPolarHBondContact OE1-CD 3.38Å; E71-K85 WeakPolarHBondContact OE1-CE 3.24Å; E71-K85 VanDerWaalsContact OE1-CG 3.3Å; E71-K85 WeakPolarHBondContact OE1-CG 3.45Å; E71-K85 IonicContact OE1-NZ 3.85Å; E71-K85 PolarHBondContact OE1-NZ 3.18Å; E71-I96 HydrophobicContact CG-CD1 4.01Å
72	I	98.6	Very high	96.4	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	112.8	173.9	-58.2	155.8	0	0	0	108.2	V59 V61 V74 L84 L93 V409 T411 F413 I422	V59-I72 HydrophobicContact CG1-CG2 3.35Å; V61-I72 HydrophobicContact CG2-CG1 4.4Å; I72-V74 HydrophobicContact CG2-CG2 4.1Å; I72-L84 HydrophobicContact CB-CB 4.25Å; I72-L84 PolarHBondContact N-O 2.81Å; I72-L84 PolarHBondContact O-N 2.87Å; I72-L93 HydrophobicContact CD1-CD1 3.99Å; I72-L93 HydrophobicContact CD1-CD2 4.06Å; I72-V409 HydrophobicContact CG2-CG2 4.29Å; I72-T411 HydrophobicContact CD1-CG2 4.28Å; I72-T411 HydrophobicContact CG1-CG2 4.26Å; I72-F413 HydrophobicContact CD1-CD1 4.38Å; I72-I422 HydrophobicContact CD1-CD1 3.97Å; I72-I422 HydrophobicContact CD1-CG1 4.09Å
73	V	98.6	Very high	96.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.1	179.3	-172.6	0	0	0	0	109.3	V59 A60 T62 V64 L82 V83 V118 I131 F133	V59-V73 CarbonylContact C-O 3.59Å; V59-V73 VanDerWaalsContact CA-O 3.29Å; V59-V73 WeakPolarHBondContact CA-O 3.39Å; A60-V73 PolarHBondContact N-O 2.63Å; A60-V73 PolarHBondContact O-N 3.04Å; T62-V73 HydrophobicContact CG2-CG2 4.01Å; V64-V73 HydrophobicContact CG2-CG2 3.64Å; V73-L82 WeakPolarHBondContact CA-O 3.02Å; V73-V83 HydrophobicContact CG1-CG2 4.47Å; V73-V83 HydrophobicContact CG2-CG1 4.49Å; V73-V118 HydrophobicContact CB-CG2 4.39Å; V73-V118 HydrophobicContact CG1-CG2 3.86Å; V73-I131 HydrophobicContact CG1-CG2 4.33Å; V73-F133 HydrophobicContact CG1-CE1 3.99Å; V73-F133 HydrophobicContact CG1-CE2 4.34Å; V73-F133 HydrophobicContact CG1-CZ 3.43Å; V73-F133 VanDerWaalsContact CG1-CZ 3.43Å
74	V	98.4	Very high	96.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.3	-173.3	-176.6	0	0	0	0	110.2	N56 V59 I72 N81 L82 L84 L433	N56-V74 HydrophobicContact CB-CG1 3.87Å; V59-V74 HydrophobicContact CG1-CG2 4.18Å; V59-V74 HydrophobicContact CG2-CG1 4.38Å; V59-V74 HydrophobicContact CG2-CG2 4.35Å; I72-V74 HydrophobicContact CG2-CG2 4.1Å; V74-N81 VanDerWaalsContact O-CA 3.25Å; V74-N81 WeakPolarHBondContact O-CA 3.03Å; V74-N81 WeakPolarHBondContact O-CB 3.33Å; V74-L82 HydrophobicContact CB-CB 4.06Å; V74-L82 HydrophobicContact CB-CD1 4.45Å; V74-L82 HydrophobicContact CB-CG 4.45Å; V74-L82 HydrophobicContact CG2-CB 4.42Å; V74-L82 PolarHBondContact N-O 3.2Å; V74-L82 PolarHBondContact O-N 3.48Å; V74-L84 HydrophobicContact CG2-CD1 4.44Å; V74-L433 HydrophobicContact CG1-CD2 4.16Å; V74-L433 HydrophobicContact CG2-CD1 3.96Å
75	A	97.4	Very high	96.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	123.9	172.8	0	0	0	0	0	110.9	N56 Y57 G58 A115 V118 F133	N56-A75 WeakPolarHBondContact CA-O 3.45Å; Y57-A75 PolarHBondContact N-O 3.27Å; G58-A75 WeakPolarHBondContact O-CB 3.46Å; G58-A75 PolarHBondContact O-N 2.83Å; A75-A115 HydrophobicContact CB-CB 3.88Å; A75-V118 HydrophobicContact CB-CG1 4.42Å; A75-F133 HydrophobicContact CB-CD1 4.37Å
76	G	95.9	Very high	96.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.3	178.6	0	0	0	0	0	112	G79 N81 A115	G76-G79 CarbonylContact C-O 3.59Å; G76-N81 PolarHBondContact N-OD1 3.16Å; G76-A115 CarbonylContact C-O 3.57Å; G76-A115 PolarHBondContact O-N 3.13Å
77	Y	93.6	Very high	96.6	Very high	44 Å²	44	25 Å²	25	17%	0.173	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128.5	175.6	-174.6	-77.8	0	0	0	110.2	L55 Y57 G79 N114 I116 N138	L55-Y77 HydrophobicContact CB-CD1 4.41Å; L55-Y77 HydrophobicContact CD1-CD1 3.75Å; L55-Y77 HydrophobicContact CD1-CE1 4.3Å; L55-Y77 PolarHBondContact O-N 2.79Å; Y57-Y77 HydrophobicContact CD2-CG 4.41Å; Y57-Y77 HydrophobicContact CE2-CD1 4.48Å; Y57-Y77 HydrophobicContact CE2-CD2 4.04Å; Y57-Y77 AromaticContact CE2-CG 3.75Å; Y57-Y77 HydrophobicContact CE2-CG 3.75Å; Y77-G79 PolarHBondContact O-N 3.23Å; Y77-N114 HydrophobicContact CD2-CB 3.62Å; Y77-N114 HydrophobicContact CE2-CB 3.7Å; Y77-N114 HydrophobicContact CG-CB 4.18Å; Y77-I116 HydrophobicContact CD2-CG2 3.75Å; Y77-I116 HydrophobicContact CE2-CG2 4.35Å; Y77-N138 PolarHBondContact OH-OD1 3.26Å
78	N	89.7	Confident	96.6	Very high	132 Å²	132	27.5 Å²	27.5	71%	0.706	14%	0.143	S	C	*	.	S	Bend	trans	52.4	33.8	-172.5	-167.8	38.8	0	0	0	112	N114	N78-N114 WeakPolarHBondContact CA-OD1 3.49Å; N78-N114 PolarHBondContact N-OD1 2.77Å
79	G	91.7	Very high	96.7	Very high	11 Å²	11	30 Å²	30	11%	0.113	16%	0.159	C	C	.	.	S	Bend	trans	-172.9	162.6	-172.6	0	0	0	0	0	109.9	G76 Y77	G76-G79 CarbonylContact C-O 3.59Å; Y77-G79 PolarHBondContact O-N 3.23Å
80	P	96.1	Very high	96.7	Very high	12 Å²	12	33 Å²	33	8%	0.078	17%	0.171	C	C	.	.			trans	-66.6	147.3	179.5	29.2	-36.1	0	0	0	112	Q54 R109 R111	Q54-P80 PolarHBondContact NE2-O 3.4Å; P80-R109 CarbonylContact C-O 3.56Å; P80-R109 VanDerWaalsContact CA-O 3.25Å; P80-R109 WeakPolarHBondContact CA-O 3.24Å; P80-R109 HydrophobicContact CB-CB 4.22Å; P80-R111 HydrophobicContact CB-CG 4.04Å
81	N	98.2	Very high	96.7	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.187	C	C	.	.			trans	-63.2	156.2	159.6	-56.5	-38.3	0	0	0	110.2	V74 G76 L108 R109 A115 F133	V74-N81 VanDerWaalsContact O-CA 3.25Å; V74-N81 WeakPolarHBondContact O-CA 3.03Å; V74-N81 WeakPolarHBondContact O-CB 3.33Å; G76-N81 PolarHBondContact N-OD1 3.16Å; N81-L108 VanDerWaalsContact CB-O 3.28Å; N81-L108 WeakPolarHBondContact CB-O 3.44Å; N81-L108 PolarHBondContact ND2-O 3.07Å; N81-R109 PolarHBondContact N-O 3.22Å; N81-A115 WeakPolarHBondContact OD1-CB 3.39Å; N81-F133 HydrophobicContact CB-CE1 3.83Å; N81-F133 HydrophobicContact CB-CZ 3.97Å; N81-F133 WeakPolarHBondContact ND2-CE1 3.3Å
82	L	98.5	Very high	96.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.7	179.6	-46.2	171.7	0	0	0	110.3	P52 V73 V74 L84 L433	P52-L82 HydrophobicContact CG-CD1 4.23Å; P52-L82 HydrophobicContact CG-CD2 4.1Å; V73-L82 WeakPolarHBondContact CA-O 3.02Å; V74-L82 HydrophobicContact CB-CB 4.06Å; V74-L82 HydrophobicContact CB-CD1 4.45Å; V74-L82 HydrophobicContact CB-CG 4.45Å; V74-L82 HydrophobicContact CG2-CB 4.42Å; V74-L82 PolarHBondContact N-O 3.2Å; V74-L82 PolarHBondContact O-N 3.48Å; L82-L84 HydrophobicContact CB-CD2 4.18Å; L82-L84 HydrophobicContact CB-CG 4.39Å; L82-L433 HydrophobicContact CD1-CD1 4.22Å
83	V	98.7	Very high	96.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	103.6	170.4	-177.5	0	0	0	0	107.9	V64 E71 V73 N95 I96 A97 L108	V64-V83 HydrophobicContact CB-CG1 4.02Å; V64-V83 HydrophobicContact CG1-CG1 3.99Å; V64-V83 HydrophobicContact CG2-CG1 3.82Å; E71-V83 HydrophobicContact CB-CG1 3.89Å; E71-V83 HydrophobicContact CG-CG1 4.01Å; V73-V83 HydrophobicContact CG1-CG2 4.47Å; V73-V83 HydrophobicContact CG2-CG1 4.49Å; V83-N95 PolarHBondContact N-OD1 3.44Å; V83-N95 VanDerWaalsContact N-OD1 3.12Å; V83-N95 CarbonylContact O-C 3.55Å; V83-N95 VanDerWaalsContact O-CA 3.24Å; V83-N95 WeakPolarHBondContact O-CA 3.22Å; V83-N95 PolarHBondContact O-OD1 3.38Å; V83-N95 VanDerWaalsContact O-OD1 3.12Å; V83-I96 HydrophobicContact CB-CG1 3.9Å; V83-I96 HydrophobicContact CG1-CD1 3.77Å; V83-I96 HydrophobicContact CG1-CG1 3.54Å; V83-I96 PolarHBondContact O-N 3.35Å; V83-A97 HydrophobicContact CB-CB 3.92Å; V83-A97 HydrophobicContact CG2-CB 3.75Å; V83-L108 HydrophobicContact CG2-CB 4.28Å; V83-L108 HydrophobicContact CG2-CD1 3.9Å
84	L	98.7	Very high	96.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	119	-170.4	-51.3	176.5	0	0	0	110.5	L44 S50 E71 I72 V74 L82 L93 V94 N95 L433	L44-L84 HydrophobicContact CD1-CD1 4.2Å; L44-L84 HydrophobicContact CD1-CD2 4.34Å; L44-L84 HydrophobicContact CD2-CD1 3.67Å; S50-L84 WeakPolarHBondContact O-CD2 3.31Å; E71-L84 WeakPolarHBondContact CA-O 3.43Å; I72-L84 HydrophobicContact CB-CB 4.25Å; I72-L84 PolarHBondContact N-O 2.81Å; I72-L84 PolarHBondContact O-N 2.87Å; V74-L84 HydrophobicContact CG2-CD1 4.44Å; L82-L84 HydrophobicContact CB-CD2 4.18Å; L82-L84 HydrophobicContact CB-CG 4.39Å; L84-L93 HydrophobicContact CB-CB 4.43Å; L84-L93 HydrophobicContact CB-CD2 4.41Å; L84-V94 WeakPolarHBondContact CA-O 3.22Å; L84-N95 HydrophobicContact CD2-CB 3.97Å; L84-L433 HydrophobicContact CD1-CD1 3.68Å
85	K	98.3	Very high	96.6	Very high	24 Å²	24	40.2 Å²	40.2	10%	0.104	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	141	175.4	-171.9	170.6	-169.3	94.2	0	110.7	D65 D67 E71 N87 L93 V94 I96	D65-K85 IonicContact OD1-NZ 2.7Å; D65-K85 PolarHBondContact OD1-NZ 3.04Å; D65-K85 WeakPolarHBondContact OD2-CD 3.2Å; D65-K85 VanDerWaalsContact OD2-CE 3.25Å; D65-K85 WeakPolarHBondContact OD2-CE 3.35Å; D65-K85 IonicContact OD2-NZ 3.63Å; D65-K85 PolarHBondContact OD2-NZ 3.15Å; D67-K85 IonicContact OD1-NZ 3.65Å; D67-K85 PolarHBondContact OD1-NZ 2.94Å; D67-K85 WeakPolarHBondContact OD2-CE 3.31Å; D67-K85 IonicContact OD2-NZ 3.81Å; D67-K85 PolarHBondContact OD2-NZ 3.01Å; E71-K85 HydrophobicContact CG-CB 3.79Å; E71-K85 HydrophobicContact CG-CG 4.13Å; E71-K85 WeakPolarHBondContact OE1-CD 3.38Å; E71-K85 WeakPolarHBondContact OE1-CE 3.24Å; E71-K85 VanDerWaalsContact OE1-CG 3.3Å; E71-K85 WeakPolarHBondContact OE1-CG 3.45Å; E71-K85 IonicContact OE1-NZ 3.85Å; E71-K85 PolarHBondContact OE1-NZ 3.18Å; K85-N87 PolarHBondContact O-N 3.05Å; K85-L93 CarbonylContact O-C 3.47Å; K85-L93 WeakPolarHBondContact O-CA 3.29Å; K85-V94 PolarHBondContact N-O 2.9Å; K85-V94 PolarHBondContact O-N 2.81Å; K85-I96 HydrophobicContact CB-CG2 3.67Å; K85-I96 HydrophobicContact CD-CG2 4.26Å
86	Y	98.3	Very high	96.6	Very high	32 Å²	32	41.5 Å²	41.5	13%	0.125	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	111.9	174.4	-172.7	-109.5	0	0	0	111.4	V43 R88 S91 L93 F413 D414	V43-Y86 HydrophobicContact CG1-CE2 4.4Å; Y86-R88 HydrophobicContact CD1-CG 3.87Å; Y86-R88 HydrophobicContact CE1-CB 4.42Å; Y86-R88 HydrophobicContact CE1-CG 3.88Å; Y86-R88 PolarHBondContact O-N 3.37Å; Y86-S91 WeakPolarHBondContact OH-CA 3.43Å; Y86-L93 HydrophobicContact CD2-CD2 4.37Å; Y86-L93 HydrophobicContact CD2-CG 4.42Å; Y86-F413 WeakPolarHBondContact CB-O 3.28Å; Y86-F413 AromaticContact CD2-CD2 3.45Å; Y86-F413 HydrophobicContact CD2-CD2 3.45Å; Y86-F413 VanDerWaalsContact CD2-CD2 3.45Å; Y86-F413 AromaticContact CD2-CE2 3.56Å; Y86-F413 HydrophobicContact CD2-CE2 3.56Å; Y86-F413 HydrophobicContact CE2-CD2 4Å; Y86-F413 AromaticContact CE2-CE2 3.72Å; Y86-F413 HydrophobicContact CE2-CE2 3.72Å; Y86-F413 AromaticContact CG-CD2 3.75Å; Y86-F413 HydrophobicContact CG-CD2 3.75Å; Y86-F413 HydrophobicContact CG-CE2 4.31Å; Y86-D414 HydrophobicContact CD1-CB 3.86Å; Y86-D414 HydrophobicContact CE1-CB 3.39Å; Y86-D414 HydrophobicContact CE2-CB 4.11Å; Y86-D414 HydrophobicContact CG-CB 4.39Å
87	N	97.4	Very high	96.6	Very high	54 Å²	54	41.5 Å²	41.5	29%	0.289	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	100.3	172.4	-173.1	-38.9	0	0	0	110	K85 A89 Q90 S91 R92 V94	K85-N87 PolarHBondContact O-N 3.05Å; N87-A89 PolarHBondContact O-N 2.8Å; N87-A89 WeakPolarHBondContact OD1-CB 3.4Å; N87-A89 PolarHBondContact OD1-N 3.5Å; N87-Q90 HydrophobicContact CB-CB 4.24Å; N87-Q90 PolarHBondContact ND2-OE1 2.98Å; N87-Q90 CarbonylContact O-C 3.58Å; N87-Q90 PolarHBondContact O-N 2.8Å; N87-Q90 VanDerWaalsContact O-N 3.08Å; N87-Q90 PolarHBondContact OD1-N 2.91Å; N87-Q90 VanDerWaalsContact OD1-N 3.11Å; N87-S91 WeakPolarHBondContact O-CA 3.18Å; N87-S91 PolarHBondContact O-N 3.12Å; N87-R92 WeakPolarHBondContact CB-O 3.26Å; N87-R92 PolarHBondContact N-O 3.33Å; N87-R92 PolarHBondContact O-N 3.02Å; N87-V94 HydrophobicContact CB-CG1 4.34Å; N87-V94 HydrophobicContact CB-CG2 4.04Å
88	R	95.4	Very high	96.6	Very high	140 Å²	140	41.4 Å²	41.4	53%	0.528	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-34.7	178.6	-65.2	-173.9	179.4	96.7	0.2	113.7	D69 Y86 Q90 S91	D69-R88 IonicContact OD1-CZ 3.17Å; D69-R88 IonicContact OD1-NH1 3.05Å; D69-R88 PolarHBondContact OD1-NH1 3.09Å; D69-R88 IonicContact OD1-NH2 3.37Å; D69-R88 PolarHBondContact OD1-NH2 2.7Å; D69-R88 IonicContact OD2-CZ 2.69Å; D69-R88 IonicContact OD2-NH1 2.66Å; D69-R88 PolarHBondContact OD2-NH1 3.39Å; D69-R88 IonicContact OD2-NH2 3.16Å; D69-R88 PolarHBondContact OD2-NH2 2.98Å; Y86-R88 HydrophobicContact CD1-CG 3.87Å; Y86-R88 HydrophobicContact CE1-CB 4.42Å; Y86-R88 HydrophobicContact CE1-CG 3.88Å; Y86-R88 PolarHBondContact O-N 3.37Å; R88-Q90 VanDerWaalsContact C-N 3.32Å; R88-Q90 PolarHBondContact O-N 3.48Å; R88-S91 PolarHBondContact O-N 3.32Å
89	A	95.7	Very high	96.8	Very high	97 Å²	97	39 Å²	39	80%	0.802	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-29	-179.4	0	0	0	0	0	112.6	N87	N87-A89 PolarHBondContact O-N 2.8Å; N87-A89 WeakPolarHBondContact OD1-CB 3.4Å; N87-A89 PolarHBondContact OD1-N 3.5Å
90	Q	95.7	Very high	96.9	Very high	111 Å²	111	44.1 Å²	44.1	52%	0.519	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-10.1	176.9	-61.4	-177.6	-63	0	0	112.8	N87 R88 R92	N87-Q90 HydrophobicContact CB-CB 4.24Å; N87-Q90 PolarHBondContact ND2-OE1 2.98Å; N87-Q90 CarbonylContact O-C 3.58Å; N87-Q90 PolarHBondContact O-N 2.8Å; N87-Q90 VanDerWaalsContact O-N 3.08Å; N87-Q90 PolarHBondContact OD1-N 2.91Å; N87-Q90 VanDerWaalsContact OD1-N 3.11Å; R88-Q90 VanDerWaalsContact C-N 3.32Å; R88-Q90 PolarHBondContact O-N 3.48Å; Q90-R92 HydrophobicContact CB-CB 4.15Å; Q90-R92 WeakPolarHBondContact O-CG 3.39Å; Q90-R92 PolarHBondContact O-N 2.85Å
91	S	96.6	Very high	96.9	Very high	67 Å²	67	53 Å²	53	47%	0.469	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	42	-168.7	-56.2	0	0	0	0	112.3	Y86 N87 R88	Y86-S91 WeakPolarHBondContact OH-CA 3.43Å; N87-S91 WeakPolarHBondContact O-CA 3.18Å; N87-S91 PolarHBondContact O-N 3.12Å; R88-S91 PolarHBondContact O-N 3.32Å
92	R	97.6	Very high	96.8	Very high	77 Å²	77	57.8 Å²	57.8	29%	0.291	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146	-172.5	-77.5	-177.6	63.2	-178	-6.4	112.1	S42 V43 D47 N87 Q90	S42-R92 WeakPolarHBondContact O-CG 3.36Å; V43-R92 CarbonylContact O-C 3.55Å; V43-R92 WeakPolarHBondContact O-CA 3.41Å; V43-R92 WeakPolarHBondContact O-CB 3.38Å; D47-R92 IonicContact OD2-NH2 2.72Å; N87-R92 WeakPolarHBondContact CB-O 3.26Å; N87-R92 PolarHBondContact N-O 3.33Å; N87-R92 PolarHBondContact O-N 3.02Å; Q90-R92 HydrophobicContact CB-CB 4.15Å; Q90-R92 WeakPolarHBondContact O-CG 3.39Å; Q90-R92 PolarHBondContact O-N 2.85Å
93	L	98.5	Very high	96.7	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	131.7	163.4	-72	168.7	0	0	0	109.2	V43 L44 I72 L84 K85 Y86 F413 V435	V43-L93 HydrophobicContact CG1-CB 4.43Å; V43-L93 HydrophobicContact CG1-CD1 4.04Å; V43-L93 HydrophobicContact CG1-CG 3.92Å; V43-L93 PolarHBondContact O-N 3.24Å; L44-L93 HydrophobicContact CB-CB 4.23Å; L44-L93 HydrophobicContact CB-CD1 4.32Å; L44-L93 HydrophobicContact CD1-CB 3.83Å; L44-L93 HydrophobicContact CD2-CD1 4.17Å; L44-L93 HydrophobicContact CG-CB 4.4Å; I72-L93 HydrophobicContact CD1-CD1 3.99Å; I72-L93 HydrophobicContact CD1-CD2 4.06Å; L84-L93 HydrophobicContact CB-CB 4.43Å; L84-L93 HydrophobicContact CB-CD2 4.41Å; K85-L93 CarbonylContact O-C 3.47Å; K85-L93 WeakPolarHBondContact O-CA 3.29Å; Y86-L93 HydrophobicContact CD2-CD2 4.37Å; Y86-L93 HydrophobicContact CD2-CG 4.42Å; L93-F413 HydrophobicContact CD1-CE1 4.35Å; L93-F413 HydrophobicContact CD1-CZ 4.4Å; L93-F413 HydrophobicContact CD2-CD2 4.28Å; L93-F413 HydrophobicContact CD2-CG 4.34Å; L93-V435 HydrophobicContact CD1-CG2 4.35Å
94	V	97.6	Very high	96.7	Very high	33 Å²	33	60.3 Å²	60.3	20%	0.2	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	141.8	-179.4	-63	0	0	0	0	110.5	L84 K85 N87 I96	L84-V94 WeakPolarHBondContact CA-O 3.22Å; K85-V94 PolarHBondContact N-O 2.9Å; K85-V94 PolarHBondContact O-N 2.81Å; N87-V94 HydrophobicContact CB-CG1 4.34Å; N87-V94 HydrophobicContact CB-CG2 4.04Å; V94-I96 PolarHBondContact O-N 2.91Å
95	N	98	Very high	96.6	Very high	8 Å²	8	62.4 Å²	62.4	4%	0.043	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	115.9	178	-172.8	7.4	0	0	0	111.6	D49 S50 V83 L84 A97 R109	D49-N95 PolarHBondContact O-ND2 3.34Å; S50-N95 PolarHBondContact OG-N 2.88Å; V83-N95 PolarHBondContact N-OD1 3.44Å; V83-N95 VanDerWaalsContact N-OD1 3.12Å; V83-N95 CarbonylContact O-C 3.55Å; V83-N95 VanDerWaalsContact O-CA 3.24Å; V83-N95 WeakPolarHBondContact O-CA 3.22Å; V83-N95 PolarHBondContact O-OD1 3.38Å; V83-N95 VanDerWaalsContact O-OD1 3.12Å; L84-N95 HydrophobicContact CD2-CB 3.97Å; N95-A97 WeakPolarHBondContact OD1-CB 3.42Å; N95-A97 PolarHBondContact OD1-N 2.94Å; N95-R109 PolarHBondContact ND2-NH1 3.12Å
96	I	97.6	Very high	96.6	Very high	28 Å²	28	64.5 Å²	64.5	14%	0.144	33%	0.329	C	S	.	.			trans	-86.8	-19.1	176.7	64.6	167.7	0	0	0	112.5	D65 E71 V83 K85 V94 V98 Y105	D65-I96 HydrophobicContact CB-CD1 4.49Å; E71-I96 HydrophobicContact CG-CD1 4.01Å; V83-I96 HydrophobicContact CB-CG1 3.9Å; V83-I96 HydrophobicContact CG1-CD1 3.77Å; V83-I96 HydrophobicContact CG1-CG1 3.54Å; V83-I96 PolarHBondContact O-N 3.35Å; K85-I96 HydrophobicContact CB-CG2 3.67Å; K85-I96 HydrophobicContact CD-CG2 4.26Å; V94-I96 PolarHBondContact O-N 2.91Å; I96-V98 PolarHBondContact O-N 2.88Å; I96-Y105 HydrophobicContact CD1-CD1 4.24Å; I96-Y105 HydrophobicContact CD1-CE1 4.09Å
97	A	97.1	Very high	96.5	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.334	C	S	.	.	S	Bend	trans	-78.3	64.9	172	0	0	0	0	0	110.6	V83 N95 L108 R109	V83-A97 HydrophobicContact CB-CB 3.92Å; V83-A97 HydrophobicContact CG2-CB 3.75Å; N95-A97 WeakPolarHBondContact OD1-CB 3.42Å; N95-A97 PolarHBondContact OD1-N 2.94Å; A97-L108 HydrophobicContact CB-CB 4.49Å; A97-R109 HydrophobicContact CB-CG 4Å; A97-R109 WeakPolarHBondContact O-CD 3.46Å; A97-R109 WeakPolarHBondContact O-CG 3.18Å; A97-R109 PolarHBondContact O-NH1 2.97Å
98	V	93.8	Very high	96.6	Very high	42 Å²	42	61.8 Å²	61.8	26%	0.255	32%	0.321	S	S	.	.			trans	-69.7	151.6	-177	-63.4	0	0	0	0	113	I96 E100	I96-V98 PolarHBondContact O-N 2.88Å; V98-E100 HydrophobicContact CG2-CB 4.11Å; V98-E100 HydrophobicContact CG2-CG 4.21Å; V98-E100 PolarHBondContact O-N 2.83Å
99	D	92.9	Very high	96.7	Very high	82 Å²	82	55.3 Å²	55.3	44%	0.439	30%	0.296	S	S	.	.	S	Bend	trans	-78.1	46.7	179.7	-161.7	36	0	0	0	113.1	R109 R111	D99-R109 IonicContact OD1-NE 2.76Å; D99-R111 IonicContact OD1-CZ 2.68Å; D99-R111 IonicContact OD1-NE 2.83Å; D99-R111 PolarHBondContact OD1-NE 2.85Å; D99-R111 IonicContact OD1-NH2 3.76Å; D99-R111 PolarHBondContact OD1-NH2 2.78Å; D99-R111 IonicContact OD2-CZ 2.78Å; D99-R111 IonicContact OD2-NE 2.85Å; D99-R111 IonicContact OD2-NH2 3.19Å; D99-R111 PolarHBondContact OD2-NH2 2.99Å
100	E	95.2	Very high	96.6	Very high	117 Å²	117	51.6 Å²	51.6	55%	0.547	26%	0.263	S	S	.	.			trans	-121.3	116.7	178.7	-63	-174.8	177	0	0	109.1	V98 S102 S103 Y106	V98-E100 HydrophobicContact CG2-CB 4.11Å; V98-E100 HydrophobicContact CG2-CG 4.21Å; V98-E100 PolarHBondContact O-N 2.83Å; E100-S102 PolarHBondContact O-N 2.03Å; E100-S103 WeakPolarHBondContact O-CB 2.97Å; E100-S103 PolarHBondContact O-N 2.9Å; E100-Y106 WeakPolarHBondContact O-CB 3.4Å
101	R	94.1	Very high	96.4	Very high	199 Å²	199	50.6 Å²	50.6	75%	0.751	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-21.6	-176.4	-69.6	-175.3	178.7	-140.7	0.4	114.6	Y106 R157	R101-Y106 HydrophobicContact CG-CD2 4.43Å; R101-Y106 HydrophobicContact CG-CE1 4.12Å; R101-Y106 HydrophobicContact CG-CE2 3.98Å; R101-R157 PolarHBondContact O-NH2 3.38Å
102	S	96.2	Very high	96	Very high	102 Å²	102	54.1 Å²	54.1	71%	0.713	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-20.5	174.2	43.4	0	0	0	0	113.6	E100	E100-S102 PolarHBondContact O-N 2.03Å
103	S	97.2	Very high	95.7	Very high	11 Å²	11	50.5 Å²	50.5	8%	0.077	25%	0.249	C	C	.	.	S	Bend	trans	-65.2	137.5	177.6	175.2	0	0	0	0	110.7	E100 Y105 Y106	E100-S103 WeakPolarHBondContact O-CB 2.97Å; E100-S103 PolarHBondContact O-N 2.9Å; S103-Y105 PolarHBondContact O-N 2.97Å; S103-Y105 PolarHBondContact OG-N 3.49Å; S103-Y105 VanDerWaalsContact OG-N 3.15Å; S103-Y106 WeakPolarHBondContact O-CB 3Å; S103-Y106 PolarHBondContact O-N 2.94Å
104	P	97.8	Very high	95.3	Very high	42 Å²	42	51.2 Å²	51.2	27%	0.273	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.3	172.8	28.7	-34.4	0	0	0	112.4	F153 N156 R157 W158	P104-F153 HydrophobicContact CB-CE2 4.34Å; P104-N156 VanDerWaalsContact CB-O 3.28Å; P104-N156 WeakPolarHBondContact CB-O 3.4Å; P104-R157 HydrophobicContact CB-CB 4.05Å; P104-W158 PolarHBondContact O-N 2.84Å
105	Y	98	Very high	95.1	Very high	44 Å²	44	49.6 Å²	49.6	17%	0.173	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-5.1	-178.8	-49	-77.7	0	0	0	113.8	V64 D65 I96 S103 A107 L108 W158	V64-Y105 HydrophobicContact CG1-CD1 4.13Å; V64-Y105 HydrophobicContact CG1-CE1 4.24Å; D65-Y105 HydrophobicContact CB-CE1 3.97Å; D65-Y105 WeakPolarHBondContact CB-OH 3.32Å; I96-Y105 HydrophobicContact CD1-CD1 4.24Å; I96-Y105 HydrophobicContact CD1-CE1 4.09Å; S103-Y105 PolarHBondContact O-N 2.97Å; S103-Y105 PolarHBondContact OG-N 3.49Å; S103-Y105 VanDerWaalsContact OG-N 3.15Å; Y105-A107 PolarHBondContact O-N 3.2Å; Y105-A107 VanDerWaalsContact O-N 3.13Å; Y105-L108 HydrophobicContact CD1-CD1 4.42Å; Y105-L108 WeakPolarHBondContact O-CB 3.13Å; Y105-L108 PolarHBondContact O-N 2.91Å; Y105-W158 AromaticContact CD1-CD1 3.61Å; Y105-W158 AromaticContact CD1-NE1 3.51Å; Y105-W158 AromaticContact CE1-NE1 3.77Å
106	Y	97.5	Very high	94.9	Very high	68 Å²	68	49.3 Å²	49.3	27%	0.267	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-53.4	-38.5	-174.9	173	-96.3	0	0	0	113.4	E100 R101 S103 L108 R109	E100-Y106 WeakPolarHBondContact O-CB 3.4Å; R101-Y106 HydrophobicContact CG-CD2 4.43Å; R101-Y106 HydrophobicContact CG-CE1 4.12Å; R101-Y106 HydrophobicContact CG-CE2 3.98Å; S103-Y106 WeakPolarHBondContact O-CB 3Å; S103-Y106 PolarHBondContact O-N 2.94Å; Y106-L108 VanDerWaalsContact C-N 3.27Å; Y106-L108 PolarHBondContact O-N 2.89Å; Y106-R109 WeakPolarHBondContact O-CB 3.27Å; Y106-R109 PolarHBondContact O-N 2.85Å
107	A	97.2	Very high	94.8	Very high	29 Å²	29	48 Å²	48	24%	0.24	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-62.9	-33.8	-177.9	0	0	0	0	0	112.6	Y105 R109 D110 F151 W158	Y105-A107 PolarHBondContact O-N 3.2Å; Y105-A107 VanDerWaalsContact O-N 3.13Å; A107-R109 PolarHBondContact O-N 3Å; A107-D110 PolarHBondContact O-N 3.24Å; A107-D110 VanDerWaalsContact O-N 3.16Å; A107-F151 HydrophobicContact CB-CD1 4.3Å; A107-F151 HydrophobicContact CB-CE1 3.94Å; A107-F151 WeakPolarHBondContact O-CE1 3.4Å; A107-F151 WeakPolarHBondContact O-CZ 3.32Å; A107-W158 HydrophobicContact CB-CB 4.45Å; A107-W158 VanDerWaalsContact CB-O 3.24Å; A107-W158 WeakPolarHBondContact CB-O 3.41Å
108	L	98.2	Very high	94.8	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-62.2	-26.2	-178.9	-64.6	177.2	0	0	0	112.5	V64 N81 V83 A97 Y105 Y106 D110 I131 F133 F151 W158	V64-L108 HydrophobicContact CG1-CD1 3.77Å; N81-L108 VanDerWaalsContact CB-O 3.28Å; N81-L108 WeakPolarHBondContact CB-O 3.44Å; N81-L108 PolarHBondContact ND2-O 3.07Å; V83-L108 HydrophobicContact CG2-CB 4.28Å; V83-L108 HydrophobicContact CG2-CD1 3.9Å; A97-L108 HydrophobicContact CB-CB 4.49Å; Y105-L108 HydrophobicContact CD1-CD1 4.42Å; Y105-L108 WeakPolarHBondContact O-CB 3.13Å; Y105-L108 PolarHBondContact O-N 2.91Å; Y106-L108 VanDerWaalsContact C-N 3.27Å; Y106-L108 PolarHBondContact O-N 2.89Å; L108-D110 PolarHBondContact O-N 3.05Å; L108-I131 HydrophobicContact CD1-CD1 4.42Å; L108-I131 HydrophobicContact CD2-CD1 4.21Å; L108-F133 HydrophobicContact CD2-CE2 4.47Å; L108-F151 HydrophobicContact CD2-CB 3.66Å; L108-F151 HydrophobicContact CD2-CD1 4.22Å; L108-F151 HydrophobicContact CD2-CD2 3.74Å; L108-F151 HydrophobicContact CD2-CE2 4.42Å; L108-F151 HydrophobicContact CD2-CG 3.61Å; L108-W158 HydrophobicContact CD1-CD2 4.07Å; L108-W158 HydrophobicContact CD1-CG 3.85Å; L108-W158 HydrophobicContact CD2-CB 4.08Å; L108-W158 HydrophobicContact CD2-CD2 3.98Å; L108-W158 HydrophobicContact CD2-CE3 4.17Å; L108-W158 HydrophobicContact CD2-CG 3.96Å; L108-W158 HydrophobicContact CG-CB 3.97Å; L108-W158 HydrophobicContact CG-CD2 4.25Å; L108-W158 HydrophobicContact CG-CG 3.81Å
109	R	97	Very high	95	Very high	4 Å²	4	46 Å²	46	2%	0.015	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-60.4	-27.6	178.2	-65.9	-172.5	72.1	94.3	-1.9	113.3	D49 P80 N81 N95 A97 D99 Y106 A107 R111	D49-R109 IonicContact OD1-NH1 3.87Å; D49-R109 PolarHBondContact OD1-NH1 3.45Å; P80-R109 CarbonylContact C-O 3.56Å; P80-R109 VanDerWaalsContact CA-O 3.25Å; P80-R109 WeakPolarHBondContact CA-O 3.24Å; P80-R109 HydrophobicContact CB-CB 4.22Å; N81-R109 PolarHBondContact N-O 3.22Å; N95-R109 PolarHBondContact ND2-NH1 3.12Å; A97-R109 HydrophobicContact CB-CG 4Å; A97-R109 WeakPolarHBondContact O-CD 3.46Å; A97-R109 WeakPolarHBondContact O-CG 3.18Å; A97-R109 PolarHBondContact O-NH1 2.97Å; D99-R109 IonicContact OD1-NE 2.76Å; Y106-R109 WeakPolarHBondContact O-CB 3.27Å; Y106-R109 PolarHBondContact O-N 2.85Å; A107-R109 PolarHBondContact O-N 3Å; R109-R111 VanDerWaalsContact C-N 3.29Å; R109-R111 VanDerWaalsContact NH2-NH2 3.1Å; R109-R111 PolarHBondContact O-N 3.49Å
110	D	95.5	Very high	95.2	Very high	18 Å²	18	42.1 Å²	42.1	10%	0.096	20%	0.202	C	C	.	.			trans	28.1	58	-178.4	-168.6	24.2	0	0	0	115.2	A107 L108 Q112 G113 N135 Y146 K149 F151	A107-D110 PolarHBondContact O-N 3.24Å; A107-D110 VanDerWaalsContact O-N 3.16Å; L108-D110 PolarHBondContact O-N 3.05Å; D110-Q112 PolarHBondContact O-N 3.28Å; D110-G113 PolarHBondContact O-N 2.87Å; D110-G113 PolarHBondContact OD1-N 3.14Å; D110-G113 WeakPolarHBondContact OD2-CA 3.31Å; D110-N135 PolarHBondContact OD2-ND2 2.03Å; D110-N135 VanDerWaalsContact OD2-ND2 3.16Å; D110-Y146 PolarHBondContact OD1-OH 2.97Å; D110-K149 VanDerWaalsContact OD2-CG 3.32Å; D110-K149 WeakPolarHBondContact OD2-CG 2.95Å; D110-F151 HydrophobicContact CB-CZ 4.25Å
111	R	90.9	Very high	95.4	Very high	91 Å²	91	36.5 Å²	36.5	34%	0.343	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-15.8	-173.3	-72.5	-179.9	173.7	-78.9	10.7	114.8	P80 D99 R109	P80-R111 HydrophobicContact CB-CG 4.04Å; D99-R111 IonicContact OD1-CZ 2.68Å; D99-R111 IonicContact OD1-NE 2.83Å; D99-R111 PolarHBondContact OD1-NE 2.85Å; D99-R111 IonicContact OD1-NH2 3.76Å; D99-R111 PolarHBondContact OD1-NH2 2.78Å; D99-R111 IonicContact OD2-CZ 2.78Å; D99-R111 IonicContact OD2-NE 2.85Å; D99-R111 IonicContact OD2-NH2 3.19Å; D99-R111 PolarHBondContact OD2-NH2 2.99Å; R109-R111 VanDerWaalsContact C-N 3.29Å; R109-R111 VanDerWaalsContact NH2-NH2 3.1Å; R109-R111 PolarHBondContact O-N 3.49Å
112	Q	88.8	Confident	95.6	Very high	141 Å²	141	27 Å²	27	66%	0.659	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-23.4	179.6	-64.2	179.9	-3.3	0	0	112.3	D110 N137 Y146	D110-Q112 PolarHBondContact O-N 3.28Å; Q112-N137 PolarHBondContact O-ND2 2.98Å; Q112-Y146 HydrophobicContact CB-CE2 3.86Å
113	G	89.6	Confident	95.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.			trans	-71.4	141.3	173	0	0	0	0	0	111	D110 N135	D110-G113 PolarHBondContact O-N 2.87Å; D110-G113 PolarHBondContact OD1-N 3.14Å; D110-G113 WeakPolarHBondContact OD2-CA 3.31Å; G113-N135 VanDerWaalsContact CA-OD1 3.23Å; G113-N135 WeakPolarHBondContact CA-OD1 3.26Å
114	N	91	Very high	95.6	Very high	16 Å²	16	22 Å²	22	9%	0.086	11%	0.105	C	C	.	.			trans	-103.8	76	165.6	-76.7	-17.6	0	0	0	107.3	Y77 N78 N135 T136 N137 N138	Y77-N114 HydrophobicContact CD2-CB 3.62Å; Y77-N114 HydrophobicContact CE2-CB 3.7Å; Y77-N114 HydrophobicContact CG-CB 4.18Å; N78-N114 WeakPolarHBondContact CA-OD1 3.49Å; N78-N114 PolarHBondContact N-OD1 2.77Å; N114-N135 VanDerWaalsContact C-OD1 3.3Å; N114-N135 PolarHBondContact N-OD1 3.15Å; N114-T136 PolarHBondContact O-N 2.85Å; N114-T136 PolarHBondContact O-OG1 3.05Å; N114-N137 PolarHBondContact N-OD1 2.9Å; N114-N138 PolarHBondContact ND2-OD1 2.86Å; N114-N138 VanDerWaalsContact ND2-OD1 3.12Å
115	A	94	Very high	95.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	136.2	-174.3	0	0	0	0	0	109.9	A75 G76 N81 F133 L134 N135	A75-A115 HydrophobicContact CB-CB 3.88Å; G76-A115 CarbonylContact C-O 3.57Å; G76-A115 PolarHBondContact O-N 3.13Å; N81-A115 WeakPolarHBondContact OD1-CB 3.39Å; A115-F133 HydrophobicContact CB-CB 4.39Å; A115-F133 HydrophobicContact CB-CD1 3.97Å; A115-L134 CarbonylContact C-O 3.6Å; A115-L134 VanDerWaalsContact CA-O 3.29Å; A115-L134 WeakPolarHBondContact CA-O 3.36Å; A115-N135 VanDerWaalsContact CA-OD1 3.26Å; A115-N135 WeakPolarHBondContact CA-OD1 3.37Å; A115-N135 PolarHBondContact N-OD1 3.39Å
116	I	93.5	Very high	95.5	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	-28.6	173	63	165.6	0	0	0	112.4	Y57 G58 Y77 L134 T136 L485	Y57-I116 WeakPolarHBondContact CB-O 3.44Å; Y57-I116 HydrophobicContact CD1-CB 4.12Å; Y57-I116 HydrophobicContact CD1-CG2 4.06Å; Y57-I116 HydrophobicContact CD2-CG2 4.06Å; Y57-I116 HydrophobicContact CE1-CG2 4.18Å; Y57-I116 HydrophobicContact CE2-CG2 4.2Å; Y57-I116 HydrophobicContact CG-CB 4.07Å; Y57-I116 HydrophobicContact CG-CG2 3.99Å; G58-I116 WeakPolarHBondContact CA-O 3.23Å; G58-I116 PolarHBondContact N-O 2.86Å; Y77-I116 HydrophobicContact CD2-CG2 3.75Å; Y77-I116 HydrophobicContact CE2-CG2 4.35Å; I116-L134 HydrophobicContact CD1-CD2 4.15Å; I116-L134 HydrophobicContact CG1-CD2 3.81Å; I116-L134 PolarHBondContact N-O 3.25Å; I116-T136 HydrophobicContact CD1-CG2 3.44Å; I116-T136 VanDerWaalsContact CD1-CG2 3.44Å; I116-T136 HydrophobicContact CG1-CG2 3.84Å; I116-T136 HydrophobicContact CG2-CG2 4.49Å; I116-L485 HydrophobicContact CB-CD1 4.19Å; I116-L485 HydrophobicContact CB-CD2 4.26Å; I116-L485 HydrophobicContact CD1-CD2 3.91Å; I116-L485 HydrophobicContact CG1-CD2 3.85Å; I116-L485 WeakPolarHBondContact O-CB 3.24Å; I116-L485 VanDerWaalsContact O-CD1 3.32Å; I116-L485 WeakPolarHBondContact O-CD1 3.48Å
117	G	94.5	Very high	95.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	153.3	-178.1	0	0	0	0	0	111.6	F133 L134	G117-F133 WeakPolarHBondContact O-CA 3.29Å; G117-L134 PolarHBondContact N-O 3.37Å; G117-L134 PolarHBondContact O-N 3.32Å
118	V	97.1	Very high	95.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	142.2	177.3	57	0	0	0	0	110.6	A60 V73 A75 I131 Y132 F133 L485	A60-V118 HydrophobicContact CB-CB 4.36Å; A60-V118 HydrophobicContact CB-CG1 3.76Å; A60-V118 HydrophobicContact CB-CG2 3.97Å; V73-V118 HydrophobicContact CB-CG2 4.39Å; V73-V118 HydrophobicContact CG1-CG2 3.86Å; A75-V118 HydrophobicContact CB-CG1 4.42Å; V118-I131 HydrophobicContact CG2-CG2 3.81Å; V118-Y132 VanDerWaalsContact CA-O 3.26Å; V118-Y132 WeakPolarHBondContact CA-O 3.28Å; V118-F133 HydrophobicContact CB-CD1 4.03Å; V118-F133 HydrophobicContact CB-CE1 4.04Å; V118-F133 HydrophobicContact CG2-CD1 4.07Å; V118-F133 HydrophobicContact CG2-CE1 3.82Å; V118-F133 HydrophobicContact CG2-CE2 4.47Å; V118-F133 HydrophobicContact CG2-CZ 4.06Å; V118-L485 PolarHBondContact N-O 2.89Å
119	T	97.7	Very high	95.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	158.2	170.4	-172.8	0	0	0	0	109.3	Y132 V181 C183 I194 E487	T119-Y132 PolarHBondContact N-O 3.35Å; T119-Y132 VanDerWaalsContact N-O 3.12Å; T119-Y132 PolarHBondContact O-N 3.12Å; T119-V181 HydrophobicContact CG2-CB 4.23Å; T119-V181 HydrophobicContact CG2-CG1 3.81Å; T119-V181 HydrophobicContact CG2-CG2 3.53Å; T119-C183 PolarHBondContact OG1-SG 2.92Å; T119-I194 HydrophobicContact CG2-CD1 4.05Å; T119-I194 HydrophobicContact CG2-CG2 4.48Å; T119-E487 WeakPolarHBondContact CA-OE2 3.24Å; T119-E487 WeakPolarHBondContact CB-OE2 3.41Å; T119-E487 PolarHBondContact OG1-OE1 2.74Å; T119-E487 PolarHBondContact OG1-OE2 2.7Å
120	A	98.3	Very high	95.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	127.7	179.3	0	0	0	0	0	111.4	T62 E129 E130 I131 C183 R460 E487	T62-A120 HydrophobicContact CG2-CB 3.71Å; A120-E129 HydrophobicContact CB-CB 4.06Å; A120-E129 VanDerWaalsContact O-CD 3.31Å; A120-E130 CarbonylContact C-O 3.53Å; A120-E130 WeakPolarHBondContact CA-O 3.38Å; A120-I131 HydrophobicContact CB-CG1 4.21Å; A120-C183 VanDerWaalsContact C-SG 3.58Å; A120-R460 WeakPolarHBondContact O-CD 3.5Å; A120-R460 PolarHBondContact O-NE 2.83Å; A120-R460 PolarHBondContact O-NH2 3.29Å; A120-E487 PolarHBondContact N-OE2 3.41Å
121	C	98.2	Very high	95.6	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	162.4	171.4	46.2	0	0	0	0	112.7	I123 E130 C183 Y192 I194	C121-I123 PolarHBondContact O-N 3.48Å; C121-E130 PolarHBondContact N-O 3.27Å; C121-E130 PolarHBondContact O-N 3.33Å; C121-C183 HydrophobicContact CB-CB 3.52Å; C121-C183 WeakPolarHBondContact CB-SG 3.32Å; C121-C183 WeakPolarHBondContact SG-CB 3.37Å; C121-C183 CovalentContact SG-SG 2.03Å; C121-C183 PolarHBondContact SG-SG 2.93Å; C121-Y192 HydrophobicContact CB-CD1 4.01Å; C121-Y192 HydrophobicContact CB-CD2 3.94Å; C121-Y192 HydrophobicContact CB-CG 3.61Å; C121-Y192 WeakPolarHBondContact SG-CB 3.46Å; C121-I194 WeakPolarHBondContact SG-CD1 3.44Å
122	D	98.3	Very high	95.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.075	C	C	.	.			trans	-82.7	92.8	-177.3	-178.4	7.2	0	0	0	111.2	G125 D126 G127 R191 Y192 A457	D122-G125 VanDerWaalsContact CG-CA 3.48Å; D122-G125 WeakPolarHBondContact OD1-CA 3.47Å; D122-G125 PolarHBondContact OD1-N 2.68Å; D122-G125 VanDerWaalsContact OD2-CA 3.29Å; D122-G125 WeakPolarHBondContact OD2-CA 3.49Å; D122-D126 PolarHBondContact OD1-N 3.34Å; D122-D126 PolarHBondContact OD2-N 2.9Å; D122-G127 WeakPolarHBondContact OD2-CA 3.37Å; D122-G127 PolarHBondContact OD2-N 3.42Å; D122-R191 WeakPolarHBondContact O-CA 3.44Å; D122-Y192 WeakPolarHBondContact O-CD2 3.36Å; D122-Y192 PolarHBondContact O-N 3.39Å; D122-A457 HydrophobicContact CB-CB 3.34Å; D122-A457 VanDerWaalsContact OD2-CB 3.28Å; D122-A457 WeakPolarHBondContact OD2-CB 3.45Å
123	I	97.9	Very high	96.2	Very high	1 Å²	1	8 Å²	8	1%	0.005	4%	0.044	C	C	.	.	S	Bend	trans	-77.2	-34.4	-175	-64.3	171	0	0	0	110.4	C121 E130 L150 I194 M212 L226	C121-I123 PolarHBondContact O-N 3.48Å; I123-E130 WeakPolarHBondContact CB-OE2 3.33Å; I123-E130 HydrophobicContact CD1-CB 4.15Å; I123-E130 PolarHBondContact N-OE2 3.26Å; I123-L150 HydrophobicContact CD1-CD1 3.72Å; I123-L150 HydrophobicContact CD1-CD2 3.53Å; I123-L150 HydrophobicContact CD1-CG 4.19Å; I123-I194 HydrophobicContact CD1-CD1 4.01Å; I123-I194 HydrophobicContact CD1-CG1 3.65Å; I123-I194 HydrophobicContact CG1-CD1 4.4Å; I123-I194 HydrophobicContact CG1-CG1 4.32Å; I123-M212 HydrophobicContact CG2-CB 4.15Å; I123-L226 HydrophobicContact CG2-CD2 4.15Å
124	D	97.1	Very high	96.4	Very high	7 Å²	7	8 Å²	8	4%	0.037	4%	0.044	C	C	.	.	S	Bend	trans	-109.1	16.5	-175.6	79	-7.7	0	0	0	115	D126 K152 R191 M212 L219 L224	D124-D126 VanDerWaalsContact C-N 3.28Å; D124-D126 PolarHBondContact O-N 2.77Å; D124-K152 IonicContact OD1-NZ 3.98Å; D124-K152 PolarHBondContact OD1-NZ 2.66Å; D124-K152 WeakPolarHBondContact OD2-CE 3.45Å; D124-K152 IonicContact OD2-NZ 3.93Å; D124-K152 PolarHBondContact OD2-NZ 3.05Å; D124-R191 VanDerWaalsContact C-CZ 3.44Å; D124-R191 PolarHBondContact O-NH1 2.89Å; D124-R191 PolarHBondContact O-NH2 3.12Å; D124-M212 HydrophobicContact CB-SD 3.91Å; D124-L219 HydrophobicContact CB-CD1 4.39Å; D124-L219 HydrophobicContact CB-CD2 4.07Å; D124-L224 HydrophobicContact CB-CD1 3.71Å; D124-L224 HydrophobicContact CB-CD2 3.84Å; D124-L224 HydrophobicContact CB-CG 4.43Å
125	G	97	Very high	96.4	Very high	8 Å²	8	7.2 Å²	7.2	8%	0.082	4%	0.04	C	C	.	.	S	Bend	trans	55.2	42.1	170.2	0	0	0	0	0	112.6	D122 R191 F455	D122-G125 VanDerWaalsContact CG-CA 3.48Å; D122-G125 WeakPolarHBondContact OD1-CA 3.47Å; D122-G125 PolarHBondContact OD1-N 2.68Å; D122-G125 VanDerWaalsContact OD2-CA 3.29Å; D122-G125 WeakPolarHBondContact OD2-CA 3.49Å; G125-R191 PolarHBondContact O-NH2 3.49Å; G125-F455 VanDerWaalsContact CA-CD2 3.49Å; G125-F455 WeakPolarHBondContact O-CB 3.29Å; G125-F455 WeakPolarHBondContact O-CD1 2.9Å; G125-F455 WeakPolarHBondContact O-CG 3.33Å
126	D	96.3	Very high	95.8	Very high	81 Å²	81	7.5 Å²	7.5	43%	0.433	4%	0.041	S	C	.	.	S	Bend	trans	-99.8	-3.4	177.3	84.6	-6.3	0	0	0	113.3	D122 D124 R128 K152	D122-D126 PolarHBondContact OD1-N 3.34Å; D122-D126 PolarHBondContact OD2-N 2.9Å; D124-D126 VanDerWaalsContact C-N 3.28Å; D124-D126 PolarHBondContact O-N 2.77Å; D126-R128 WeakPolarHBondContact OD1-CA 3.04Å; D126-R128 WeakPolarHBondContact OD1-CB 3.05Å; D126-R128 PolarHBondContact OD1-N 3.36Å; D126-K152 VanDerWaalsContact CG-NZ 3.31Å; D126-K152 IonicContact OD1-NZ 3.11Å; D126-K152 IonicContact OD2-NZ 3.44Å; D126-K152 PolarHBondContact OD2-NZ 3.03Å
127	G	96.8	Very high	94.8	Very high	8 Å²	8	8.4 Å²	8.4	8%	0.082	5%	0.046	C	C	.	.	S	Bend	trans	93.4	-5.1	-179.9	0	0	0	0	0	114.4	D122 F455 A457	D122-G127 WeakPolarHBondContact OD2-CA 3.37Å; D122-G127 PolarHBondContact OD2-N 3.42Å; G127-F455 WeakPolarHBondContact CA-O 3.13Å; G127-A457 WeakPolarHBondContact O-CA 3.32Å; G127-A457 PolarHBondContact O-N 2.94Å
128	R	96.7	Very high	93.5	Very high	34 Å²	34	14.1 Å²	14.1	13%	0.128	8%	0.077	C	C	.	.	S	Bend	trans	-115.9	139.8	177.2	-168.5	172	-162	163.9	9.7	110.2	V64 D65 D126	V64-R128 PolarHBondContact O-NH2 3.27Å; D65-R128 PolarHBondContact O-NH2 2.7Å; D65-R128 VanDerWaalsContact O-NH2 3.1Å; D126-R128 WeakPolarHBondContact OD1-CA 3.04Å; D126-R128 WeakPolarHBondContact OD1-CB 3.05Å; D126-R128 PolarHBondContact OD1-N 3.36Å
129	E	98.3	Very high	91.6	Very high	8 Å²	8	15 Å²	15	4%	0.037	8%	0.083	C	C	.	.			trans	-76.3	131.6	178	-61.8	-165	140.5	0	0	111.3	T62 A120 W158 F458 R460	T62-E129 WeakPolarHBondContact CB-OE2 3.3Å; T62-E129 PolarHBondContact OG1-OE2 2.81Å; A120-E129 HydrophobicContact CB-CB 4.06Å; A120-E129 VanDerWaalsContact O-CD 3.31Å; E129-W158 WeakPolarHBondContact O-CH2 3.37Å; E129-F458 HydrophobicContact CG-CD2 4.11Å; E129-R460 IonicContact OE1-CZ 2.7Å; E129-R460 IonicContact OE1-NE 3.5Å; E129-R460 PolarHBondContact OE1-NE 3.25Å; E129-R460 IonicContact OE1-NH2 2.78Å; E129-R460 IonicContact OE2-CZ 2.74Å; E129-R460 IonicContact OE2-NE 3.05Å; E129-R460 IonicContact OE2-NH2 3.46Å; E129-R460 PolarHBondContact OE2-NH2 2.89Å
130	E	98.1	Very high	89.6	Confident	2 Å²	2	20.8 Å²	20.8	1%	0.009	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	149.8	160.3	-77.4	71.7	-124.5	0	0	110	A120 C121 I123 L150 F151 K152	A120-E130 CarbonylContact C-O 3.53Å; A120-E130 WeakPolarHBondContact CA-O 3.38Å; C121-E130 PolarHBondContact N-O 3.27Å; C121-E130 PolarHBondContact O-N 3.33Å; I123-E130 WeakPolarHBondContact CB-OE2 3.33Å; I123-E130 HydrophobicContact CD1-CB 4.15Å; I123-E130 PolarHBondContact N-OE2 3.26Å; E130-L150 HydrophobicContact CB-CD1 3.68Å; E130-L150 HydrophobicContact CB-CG 4.48Å; E130-L150 HydrophobicContact CG-CD1 4.44Å; E130-F151 CarbonylContact C-O 3.57Å; E130-F151 VanDerWaalsContact CA-O 3.29Å; E130-F151 WeakPolarHBondContact CA-O 3.38Å; E130-F151 WeakPolarHBondContact CB-O 3.42Å; E130-K152 HydrophobicContact CG-CB 3.85Å; E130-K152 HydrophobicContact CG-CD 4.41Å; E130-K152 HydrophobicContact CG-CG 4.1Å; E130-K152 WeakPolarHBondContact OE1-CG 3.36Å; E130-K152 IonicContact OE1-NZ 3.69Å; E130-K152 PolarHBondContact OE1-NZ 2.85Å
131	I	98.3	Very high	87.6	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	117.9	-178.6	-53.7	171.8	0	0	0	109.6	T62 V64 V73 L108 V118 A120 F133 F151 W158	T62-I131 HydrophobicContact CG2-CD1 4.37Å; T62-I131 HydrophobicContact CG2-CG1 4.48Å; V64-I131 HydrophobicContact CG1-CD1 4.28Å; V64-I131 HydrophobicContact CG2-CD1 3.93Å; V73-I131 HydrophobicContact CG1-CG2 4.33Å; L108-I131 HydrophobicContact CD1-CD1 4.42Å; L108-I131 HydrophobicContact CD2-CD1 4.21Å; V118-I131 HydrophobicContact CG2-CG2 3.81Å; A120-I131 HydrophobicContact CB-CG1 4.21Å; I131-F133 HydrophobicContact CG2-CD2 4.03Å; I131-F133 HydrophobicContact CG2-CE2 3.54Å; I131-F133 HydrophobicContact CG2-CZ 4.13Å; I131-F151 PolarHBondContact N-O 2.82Å; I131-F151 PolarHBondContact O-N 3.37Å; I131-W158 HydrophobicContact CD1-CH2 3.68Å; I131-W158 HydrophobicContact CD1-CZ2 3.98Å; I131-W158 HydrophobicContact CD1-CZ3 4.07Å; I131-W158 HydrophobicContact CG1-CH2 3.91Å; I131-W158 HydrophobicContact CG1-CZ3 4.06Å
132	Y	97.2	Very high	85.7	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.6	177.2	-169.4	-82	0	0	0	110.6	V118 T119 L134 D148 K149 L150 L162 V181 I194 I196 I210	V118-Y132 VanDerWaalsContact CA-O 3.26Å; V118-Y132 WeakPolarHBondContact CA-O 3.28Å; T119-Y132 PolarHBondContact N-O 3.35Å; T119-Y132 VanDerWaalsContact N-O 3.12Å; T119-Y132 PolarHBondContact O-N 3.12Å; Y132-L134 HydrophobicContact CE1-CB 4.33Å; Y132-D148 HydrophobicContact CE1-CB 3.95Å; Y132-D148 HydrophobicContact CE2-CB 4.28Å; Y132-D148 WeakPolarHBondContact OH-CB 3.49Å; Y132-D148 PolarHBondContact OH-OD2 2.83Å; Y132-K149 CarbonylContact C-O 3.58Å; Y132-K149 WeakPolarHBondContact CA-O 3.4Å; Y132-L150 HydrophobicContact CD2-CB 4.1Å; Y132-L150 HydrophobicContact CD2-CD1 4.04Å; Y132-L150 HydrophobicContact CD2-CG 4.45Å; Y132-L162 HydrophobicContact CE2-CD1 4.11Å; Y132-V181 HydrophobicContact CD1-CG2 3.73Å; Y132-V181 HydrophobicContact CE1-CG2 4.03Å; Y132-V181 HydrophobicContact CG-CG2 4.39Å; Y132-I194 HydrophobicContact CD1-CG2 4.2Å; Y132-I194 HydrophobicContact CD2-CB 4.43Å; Y132-I194 HydrophobicContact CD2-CG1 4.24Å; Y132-I194 HydrophobicContact CD2-CG2 3.85Å; Y132-I194 HydrophobicContact CE1-CG2 4.43Å; Y132-I194 HydrophobicContact CE2-CG2 4.11Å; Y132-I194 HydrophobicContact CG-CG2 3.89Å; Y132-I196 HydrophobicContact CE1-CG1 4.33Å; Y132-I196 HydrophobicContact CE2-CD1 4.28Å; Y132-I196 WeakPolarHBondContact OH-CD1 3.45Å; Y132-I210 HydrophobicContact CE2-CD1 4.48Å
133	F	95.3	Very high	84	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.1	169.9	-73.3	-90.5	0	0	0	110.8	V73 A75 N81 L108 A115 G117 V118 I131 D148 K149 F151	V73-F133 HydrophobicContact CG1-CE1 3.99Å; V73-F133 HydrophobicContact CG1-CE2 4.34Å; V73-F133 HydrophobicContact CG1-CZ 3.43Å; V73-F133 VanDerWaalsContact CG1-CZ 3.43Å; A75-F133 HydrophobicContact CB-CD1 4.37Å; N81-F133 HydrophobicContact CB-CE1 3.83Å; N81-F133 HydrophobicContact CB-CZ 3.97Å; N81-F133 WeakPolarHBondContact ND2-CE1 3.3Å; L108-F133 HydrophobicContact CD2-CE2 4.47Å; A115-F133 HydrophobicContact CB-CB 4.39Å; A115-F133 HydrophobicContact CB-CD1 3.97Å; G117-F133 WeakPolarHBondContact O-CA 3.29Å; V118-F133 HydrophobicContact CB-CD1 4.03Å; V118-F133 HydrophobicContact CB-CE1 4.04Å; V118-F133 HydrophobicContact CG2-CD1 4.07Å; V118-F133 HydrophobicContact CG2-CE1 3.82Å; V118-F133 HydrophobicContact CG2-CE2 4.47Å; V118-F133 HydrophobicContact CG2-CZ 4.06Å; I131-F133 HydrophobicContact CG2-CD2 4.03Å; I131-F133 HydrophobicContact CG2-CE2 3.54Å; I131-F133 HydrophobicContact CG2-CZ 4.13Å; F133-D148 WeakPolarHBondContact O-CA 3.48Å; F133-D148 WeakPolarHBondContact O-CB 3.29Å; F133-K149 HydrophobicContact CB-CB 4.38Å; F133-K149 PolarHBondContact N-O 2.71Å; F133-K149 PolarHBondContact O-N 3.5Å; F133-F151 AromaticContact CD2-CD2 3.69Å; F133-F151 HydrophobicContact CD2-CD2 3.69Å; F133-F151 AromaticContact CD2-CE2 3.64Å; F133-F151 HydrophobicContact CD2-CE2 3.64Å; F133-F151 AromaticContact CE2-CD2 3.94Å; F133-F151 HydrophobicContact CE2-CD2 3.94Å; F133-F151 HydrophobicContact CE2-CE2 4.02Å
134	L	92.5	Very high	82.3	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	108.8	174.8	-163.1	173	0	0	0	109.4	A115 I116 G117 Y132 T136 D148 G178 V181	A115-L134 CarbonylContact C-O 3.6Å; A115-L134 VanDerWaalsContact CA-O 3.29Å; A115-L134 WeakPolarHBondContact CA-O 3.36Å; I116-L134 HydrophobicContact CD1-CD2 4.15Å; I116-L134 HydrophobicContact CG1-CD2 3.81Å; I116-L134 PolarHBondContact N-O 3.25Å; G117-L134 PolarHBondContact N-O 3.37Å; G117-L134 PolarHBondContact O-N 3.32Å; Y132-L134 HydrophobicContact CE1-CB 4.33Å; L134-T136 HydrophobicContact CD2-CG2 4.04Å; L134-D148 WeakPolarHBondContact CA-OD1 3.06Å; L134-G178 VanDerWaalsContact CD1-C 3.45Å; L134-G178 VanDerWaalsContact CD2-C 3.44Å; L134-G178 VanDerWaalsContact CD2-O 3.24Å; L134-G178 WeakPolarHBondContact CD2-O 3.43Å; L134-V181 HydrophobicContact CD1-CB 4.4Å
135	N	91.2	Very high	81	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.4	178	-79.8	-44.1	0	0	0	111.9	D110 G113 N114 A115 Y146 T147 D148	D110-N135 PolarHBondContact OD2-ND2 2.03Å; D110-N135 VanDerWaalsContact OD2-ND2 3.16Å; G113-N135 VanDerWaalsContact CA-OD1 3.23Å; G113-N135 WeakPolarHBondContact CA-OD1 3.26Å; N114-N135 VanDerWaalsContact C-OD1 3.3Å; N114-N135 PolarHBondContact N-OD1 3.15Å; A115-N135 VanDerWaalsContact CA-OD1 3.26Å; A115-N135 WeakPolarHBondContact CA-OD1 3.37Å; A115-N135 PolarHBondContact N-OD1 3.39Å; N135-Y146 HydrophobicContact CB-CD1 4.13Å; N135-T147 PolarHBondContact ND2-O 3.16Å; N135-D148 PolarHBondContact N-OD1 3.38Å
136	T	82.1	Confident	80.2	Confident	5 Å²	5	36.9 Å²	36.9	3%	0.031	21%	0.208	C	C	.	.			trans	-108.1	-26.8	176.7	55.5	0	0	0	0	113.9	N114 I116 L134 N138 A139 A177	N114-T136 PolarHBondContact O-N 2.85Å; N114-T136 PolarHBondContact O-OG1 3.05Å; I116-T136 HydrophobicContact CD1-CG2 3.44Å; I116-T136 VanDerWaalsContact CD1-CG2 3.44Å; I116-T136 HydrophobicContact CG1-CG2 3.84Å; I116-T136 HydrophobicContact CG2-CG2 4.49Å; L134-T136 HydrophobicContact CD2-CG2 4.04Å; T136-N138 PolarHBondContact O-N 2.86Å; T136-N138 VanDerWaalsContact O-N 3.12Å; T136-A139 WeakPolarHBondContact O-CB 3.36Å; T136-A139 PolarHBondContact O-N 3.07Å; T136-A177 HydrophobicContact CG2-CB 4.43Å
137	N	72.2	Confident	79.7	Confident	22 Å²	22	35.1 Å²	35.1	12%	0.118	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	40.6	51.3	-178.2	-72.2	60.8	0	0	0	114	Q112 N114 A139 Y146	Q112-N137 PolarHBondContact O-ND2 2.98Å; N114-N137 PolarHBondContact N-OD1 2.9Å; N137-A139 VanDerWaalsContact C-N 3.27Å; N137-A139 PolarHBondContact O-N 2.75Å; N137-Y146 WeakPolarHBondContact ND2-CB 3.48Å; N137-Y146 WeakPolarHBondContact OD1-CB 3.27Å
138	N	66.7	Low	79.5	Confident	120 Å²	120	34.8 Å²	34.8	64%	0.642	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	2.7	178	-48.8	-30.9	0	0	0	115.8	Y77 N114 T136 F140	Y77-N138 PolarHBondContact OH-OD1 3.26Å; N114-N138 PolarHBondContact ND2-OD1 2.86Å; N114-N138 VanDerWaalsContact ND2-OD1 3.12Å; T136-N138 PolarHBondContact O-N 2.86Å; T136-N138 VanDerWaalsContact O-N 3.12Å; N138-F140 PolarHBondContact O-N 3.08Å
139	A	58.4	Low	79.4	Confident	17 Å²	17	33.9 Å²	33.9	14%	0.14	19%	0.194	C	C	.	.			trans	-76.7	116.1	168.6	0	0	0	0	0	109.6	T136 N137 A144 A177	T136-A139 WeakPolarHBondContact O-CB 3.36Å; T136-A139 PolarHBondContact O-N 3.07Å; N137-A139 VanDerWaalsContact C-N 3.27Å; N137-A139 PolarHBondContact O-N 2.75Å; A139-A144 HydrophobicContact CB-CB 4.49Å; A139-A177 HydrophobicContact CB-CB 4.04Å; A139-A177 VanDerWaalsContact O-CB 3.31Å; A139-A177 WeakPolarHBondContact O-CB 3.44Å
140	F	54.5	Low	79.3	Confident	123 Å²	123	33.5 Å²	33.5	54%	0.539	19%	0.192	S	C	.	.	S	Bend	trans	-73.8	-32.6	170.2	-175.4	-87.9	0	0	0	111.4	N138 R179 Y199	N138-F140 PolarHBondContact O-N 3.08Å; F140-R179 VanDerWaalsContact CA-NH2 3.34Å; F140-R179 VanDerWaalsContact CG-NH2 3.29Å; F140-R179 PolarHBondContact O-NE 3.18Å; F140-R179 PolarHBondContact O-NH2 2.86Å; F140-Y199 HydrophobicContact CE1-CD2 4.39Å; F140-Y199 HydrophobicContact CE1-CE1 4.28Å; F140-Y199 AromaticContact CE1-CE2 3.82Å; F140-Y199 HydrophobicContact CE1-CE2 3.82Å; F140-Y199 AromaticContact CE1-CZ 3.75Å; F140-Y199 HydrophobicContact CZ-CE2 4.19Å
141	S	56.9	Low	79.3	Confident	49 Å²	49	33.7 Å²	33.7	34%	0.343	19%	0.193	S	C	.	.	S	Bend	trans	-155.6	159.7	178.2	57.8	0	0	0	0	108.9
142	G	58.3	Low	79.3	Confident	19 Å²	19	34.4 Å²	34.4	20%	0.196	20%	0.195	C	C	.	.	S	Bend	trans	76.8	-153.5	178.6	0	0	0	0	0	113	A144 F176 A177	G142-A144 PolarHBondContact O-N 2.79Å; G142-F176 CarbonylContact O-C 3.58Å; G142-F176 VanDerWaalsContact O-CA 3.23Å; G142-F176 WeakPolarHBondContact O-CA 3.5Å; G142-A177 PolarHBondContact O-N 2.95Å
143	V	61.9	Low	79.2	Confident	101 Å²	101	36.6 Å²	36.6	61%	0.612	21%	0.205	S	C	*	.	B	Isolated β-bridge	trans	-74.9	121.8	-165.8	-179	0	0	0	0	112.8	L175 F176	V143-L175 CarbonylContact C-O 3.37Å; V143-L175 WeakPolarHBondContact CA-O 3.26Å; V143-L175 HydrophobicContact CG1-CB 4.4Å; V143-F176 HydrophobicContact CG2-CD1 4.49Å; V143-F176 HydrophobicContact CG2-CE1 4.21Å
144	A	62.9	Low	79.2	Confident	11 Å²	11	38.4 Å²	38.4	9%	0.091	21%	0.212	C	C	.	.			trans	-77.3	147.4	172.7	0	0	0	0	0	111.4	A139 G142 Y146 L175	A139-A144 HydrophobicContact CB-CB 4.49Å; G142-A144 PolarHBondContact O-N 2.79Å; A144-Y146 VanDerWaalsContact C-N 3.34Å; A144-Y146 WeakPolarHBondContact CB-O 3.3Å; A144-L175 PolarHBondContact N-O 3.22Å
145	T	70.1	Confident	79.2	Confident	126 Å²	126	44.2 Å²	44.2	77%	0.773	24%	0.243	S	C	*	.	S	Bend	trans	-87.7	-8.5	179.2	55.3	0	0	0	0	113.5
146	Y	80.1	Confident	79.4	Confident	47 Å²	47	50.9 Å²	50.9	18%	0.184	28%	0.279	C	S	.	.	S	Bend	trans	-138.6	136.5	-179.7	-163.9	-96.8	0	0	0	106.5	D110 Q112 N135 N137 A144 K149	D110-Y146 PolarHBondContact OD1-OH 2.97Å; Q112-Y146 HydrophobicContact CB-CE2 3.86Å; N135-Y146 HydrophobicContact CB-CD1 4.13Å; N137-Y146 WeakPolarHBondContact ND2-CB 3.48Å; N137-Y146 WeakPolarHBondContact OD1-CB 3.27Å; A144-Y146 VanDerWaalsContact C-N 3.34Å; A144-Y146 WeakPolarHBondContact CB-O 3.3Å; Y146-K149 HydrophobicContact CE1-CD 4.47Å; Y146-K149 HydrophobicContact CE1-CG 4.49Å; Y146-K149 VanDerWaalsContact CZ-CE 3.49Å; Y146-K149 WeakPolarHBondContact OH-CE 3.5Å
147	T	85.6	Confident	80.1	Confident	44 Å²	44	55.2 Å²	55.2	27%	0.27	29%	0.294	S	S	.	.			trans	-80.3	158.5	-176.8	63.8	0	0	0	0	110.7	N135 A173 L175	N135-T147 PolarHBondContact ND2-O 3.16Å; T147-A173 HydrophobicContact CG2-CB 4.01Å; T147-L175 HydrophobicContact CG2-CD2 4.49Å
148	D	92.4	Very high	81.3	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	29%	0.289	C	S	.	.			trans	-53.6	161.5	160.4	-60.3	-35.3	0	0	0	111.2	Y132 F133 L134 N135 L162 S174	Y132-D148 HydrophobicContact CE1-CB 3.95Å; Y132-D148 HydrophobicContact CE2-CB 4.28Å; Y132-D148 WeakPolarHBondContact OH-CB 3.49Å; Y132-D148 PolarHBondContact OH-OD2 2.83Å; F133-D148 WeakPolarHBondContact O-CA 3.48Å; F133-D148 WeakPolarHBondContact O-CB 3.29Å; L134-D148 WeakPolarHBondContact CA-OD1 3.06Å; N135-D148 PolarHBondContact N-OD1 3.38Å; D148-L162 HydrophobicContact CB-CD1 4.35Å; D148-L162 WeakPolarHBondContact O-CD1 3.17Å; D148-S174 WeakPolarHBondContact OD2-CB 3.41Å
149	K	94.6	Very high	82.8	Confident	16 Å²	16	50.7 Å²	50.7	7%	0.07	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.5	178.9	-60.5	-64.7	174	-168	0	110.2	D110 Y132 F133 Y146 F151 D160 S163	D110-K149 VanDerWaalsContact OD2-CG 3.32Å; D110-K149 WeakPolarHBondContact OD2-CG 2.95Å; Y132-K149 CarbonylContact C-O 3.58Å; Y132-K149 WeakPolarHBondContact CA-O 3.4Å; F133-K149 HydrophobicContact CB-CB 4.38Å; F133-K149 PolarHBondContact N-O 2.71Å; F133-K149 PolarHBondContact O-N 3.5Å; Y146-K149 HydrophobicContact CE1-CD 4.47Å; Y146-K149 HydrophobicContact CE1-CG 4.49Å; Y146-K149 VanDerWaalsContact CZ-CE 3.49Å; Y146-K149 WeakPolarHBondContact OH-CE 3.5Å; K149-F151 HydrophobicContact CB-CD2 4.11Å; K149-F151 HydrophobicContact CB-CE2 3.48Å; K149-F151 VanDerWaalsContact CB-CE2 3.48Å; K149-F151 HydrophobicContact CB-CZ 3.82Å; K149-F151 HydrophobicContact CD-CZ 4.49Å; K149-F151 HydrophobicContact CG-CE2 4.14Å; K149-F151 HydrophobicContact CG-CZ 4.07Å; K149-D160 HydrophobicContact CD-CB 4.24Å; K149-D160 VanDerWaalsContact CD-CG 3.43Å; K149-D160 WeakPolarHBondContact CD-OD2 3.23Å; K149-D160 WeakPolarHBondContact CE-OD2 3.4Å; K149-D160 IonicContact NZ-OD2 2.68Å; K149-D160 PolarHBondContact NZ-OD2 2.74Å; K149-S163 PolarHBondContact NZ-OG 2.86Å
150	L	96.9	Very high	84.6	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	109.6	170.5	-179.7	52.3	0	0	0	107.2	I123 E130 Y132 D160 I161 L162 L226	I123-L150 HydrophobicContact CD1-CD1 3.72Å; I123-L150 HydrophobicContact CD1-CD2 3.53Å; I123-L150 HydrophobicContact CD1-CG 4.19Å; E130-L150 HydrophobicContact CB-CD1 3.68Å; E130-L150 HydrophobicContact CB-CG 4.48Å; E130-L150 HydrophobicContact CG-CD1 4.44Å; Y132-L150 HydrophobicContact CD2-CB 4.1Å; Y132-L150 HydrophobicContact CD2-CD1 4.04Å; Y132-L150 HydrophobicContact CD2-CG 4.45Å; L150-D160 PolarHBondContact N-OD1 2.7Å; L150-D160 CarbonylContact O-C 3.57Å; L150-D160 WeakPolarHBondContact O-CA 3.43Å; L150-I161 HydrophobicContact CB-CG1 3.96Å; L150-I161 HydrophobicContact CD2-CD1 3.69Å; L150-I161 HydrophobicContact CD2-CG1 3.98Å; L150-I161 HydrophobicContact CG-CD1 3.78Å; L150-I161 HydrophobicContact CG-CG1 3.75Å; L150-I161 VanDerWaalsContact O-CG1 3.3Å; L150-I161 WeakPolarHBondContact O-CG1 3.1Å; L150-I161 PolarHBondContact O-N 3.49Å; L150-L162 HydrophobicContact CB-CD1 3.84Å; L150-L162 HydrophobicContact CB-CG 3.78Å; L150-L226 HydrophobicContact CD2-CD1 3.74Å; L150-L226 HydrophobicContact CD2-CD2 4.37Å
151	F	98	Very high	86.5	Confident	6 Å²	6	45.2 Å²	45.2	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	128.8	-177	-65.9	-78.1	0	0	0	110.4	A107 L108 D110 E130 I131 F133 K149 W158 E159 D160	A107-F151 HydrophobicContact CB-CD1 4.3Å; A107-F151 HydrophobicContact CB-CE1 3.94Å; A107-F151 WeakPolarHBondContact O-CE1 3.4Å; A107-F151 WeakPolarHBondContact O-CZ 3.32Å; L108-F151 HydrophobicContact CD2-CB 3.66Å; L108-F151 HydrophobicContact CD2-CD1 4.22Å; L108-F151 HydrophobicContact CD2-CD2 3.74Å; L108-F151 HydrophobicContact CD2-CE2 4.42Å; L108-F151 HydrophobicContact CD2-CG 3.61Å; D110-F151 HydrophobicContact CB-CZ 4.25Å; E130-F151 CarbonylContact C-O 3.57Å; E130-F151 VanDerWaalsContact CA-O 3.29Å; E130-F151 WeakPolarHBondContact CA-O 3.38Å; E130-F151 WeakPolarHBondContact CB-O 3.42Å; I131-F151 PolarHBondContact N-O 2.82Å; I131-F151 PolarHBondContact O-N 3.37Å; F133-F151 AromaticContact CD2-CD2 3.69Å; F133-F151 HydrophobicContact CD2-CD2 3.69Å; F133-F151 AromaticContact CD2-CE2 3.64Å; F133-F151 HydrophobicContact CD2-CE2 3.64Å; F133-F151 AromaticContact CE2-CD2 3.94Å; F133-F151 HydrophobicContact CE2-CD2 3.94Å; F133-F151 HydrophobicContact CE2-CE2 4.02Å; K149-F151 HydrophobicContact CB-CD2 4.11Å; K149-F151 HydrophobicContact CB-CE2 3.48Å; K149-F151 VanDerWaalsContact CB-CE2 3.48Å; K149-F151 HydrophobicContact CB-CZ 3.82Å; K149-F151 HydrophobicContact CD-CZ 4.49Å; K149-F151 HydrophobicContact CG-CE2 4.14Å; K149-F151 HydrophobicContact CG-CZ 4.07Å; F151-W158 HydrophobicContact CB-CE3 3.75Å; F151-W158 HydrophobicContact CB-CZ3 4.31Å; F151-W158 WeakPolarHBondContact O-CZ3 2.99Å; F151-E159 CarbonylContact C-O 3.53Å; F151-E159 VanDerWaalsContact CA-O 3.3Å; F151-E159 WeakPolarHBondContact CA-O 3.44Å; F151-D160 HydrophobicContact CD1-CB 4.1Å; F151-D160 HydrophobicContact CE1-CB 3.87Å
152	K	97	Very high	88.3	Confident	15 Å²	15	43.1 Å²	43.1	7%	0.065	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.2	169.4	-178.1	167	-177.3	76.2	0	110	D124 D126 E130 R154 W158 E159 I161 L224	D124-K152 IonicContact OD1-NZ 3.98Å; D124-K152 PolarHBondContact OD1-NZ 2.66Å; D124-K152 WeakPolarHBondContact OD2-CE 3.45Å; D124-K152 IonicContact OD2-NZ 3.93Å; D124-K152 PolarHBondContact OD2-NZ 3.05Å; D126-K152 VanDerWaalsContact CG-NZ 3.31Å; D126-K152 IonicContact OD1-NZ 3.11Å; D126-K152 IonicContact OD2-NZ 3.44Å; D126-K152 PolarHBondContact OD2-NZ 3.03Å; E130-K152 HydrophobicContact CG-CB 3.85Å; E130-K152 HydrophobicContact CG-CD 4.41Å; E130-K152 HydrophobicContact CG-CG 4.1Å; E130-K152 WeakPolarHBondContact OE1-CG 3.36Å; E130-K152 IonicContact OE1-NZ 3.69Å; E130-K152 PolarHBondContact OE1-NZ 2.85Å; K152-R154 PolarHBondContact O-N 3.37Å; K152-W158 VanDerWaalsContact C-CE3 3.5Å; K152-E159 PolarHBondContact N-O 2.82Å; K152-E159 PolarHBondContact O-N 2.82Å; K152-I161 HydrophobicContact CB-CD1 4.48Å; K152-I161 HydrophobicContact CB-CG2 3.67Å; K152-L224 HydrophobicContact CD-CD2 4.01Å
153	F	96.4	Very high	90	Very high	46 Å²	46	45 Å²	45	20%	0.202	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	106.7	170.4	-167.1	-87.5	0	0	0	110.4	P104 N156 R157 W158	P104-F153 HydrophobicContact CB-CE2 4.34Å; F153-N156 VanDerWaalsContact CZ-C 3.49Å; F153-R157 CarbonylContact C-O 3.56Å; F153-R157 WeakPolarHBondContact CA-O 3.45Å; F153-W158 HydrophobicContact CB-CD2 4.13Å; F153-W158 HydrophobicContact CB-CE3 4.14Å; F153-W158 HydrophobicContact CB-CH2 4.32Å; F153-W158 HydrophobicContact CB-CZ2 4.27Å; F153-W158 HydrophobicContact CB-CZ3 4.24Å; F153-W158 AromaticContact CD2-CD1 3.75Å; F153-W158 HydrophobicContact CD2-CD2 4.11Å; F153-W158 AromaticContact CD2-CE2 3.89Å; F153-W158 HydrophobicContact CD2-CG 4.08Å; F153-W158 AromaticContact CD2-NE1 3.63Å
154	R	94.5	Very high	91.6	Very high	39 Å²	39	41.9 Å²	41.9	15%	0.147	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	160.2	174.3	65.5	179.3	-169.5	-160.1	-11	110.2	K152 N156 R157 E159 D164 G222	K152-R154 PolarHBondContact O-N 3.37Å; R154-N156 PolarHBondContact O-N 3.43Å; R154-N156 VanDerWaalsContact O-N 3.13Å; R154-R157 PolarHBondContact N-O 2.92Å; R154-R157 CarbonylContact O-C 3.5Å; R154-R157 PolarHBondContact O-N 2.72Å; R154-E159 HydrophobicContact CG-CB 4.35Å; R154-E159 HydrophobicContact CG-CG 4.3Å; R154-E159 IonicContact CZ-OE2 3.52Å; R154-E159 IonicContact NE-OE2 3.34Å; R154-E159 PolarHBondContact NE-OE2 3.28Å; R154-E159 IonicContact NH2-OE2 2.81Å; R154-E159 PolarHBondContact NH2-OE2 2.82Å; R154-D164 IonicContact CZ-OD1 2.84Å; R154-D164 IonicContact CZ-OD2 3.58Å; R154-D164 IonicContact NH1-OD1 2.66Å; R154-D164 IonicContact NH1-OD2 3.48Å; R154-D164 PolarHBondContact NH1-OD2 3.11Å; R154-D164 VanDerWaalsContact NH2-CG 3.31Å; R154-D164 IonicContact NH2-OD1 3.15Å; R154-D164 PolarHBondContact NH2-OD1 3.05Å; R154-D164 IonicContact NH2-OD2 3.43Å; R154-D164 PolarHBondContact NH2-OD2 3.08Å; R154-G222 PolarHBondContact NH1-O 2.87Å
155	N	93.1	Very high	93.1	Very high	121 Å²	121	48.4 Å²	48.4	65%	0.647	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	35.1	-176.7	-50.4	-47.7	0	0	0	113.8	R157 E159	N155-R157 VanDerWaalsContact C-N 3.28Å; N155-R157 PolarHBondContact O-N 3.3Å; N155-E159 PolarHBondContact ND2-OE1 3.34Å
156	N	94.9	Very high	94.4	Very high	140 Å²	140	45.1 Å²	45.1	75%	0.749	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	27.8	-175.8	-57.7	-44.4	0	0	0	115	P104 F153 R154	P104-N156 VanDerWaalsContact CB-O 3.28Å; P104-N156 WeakPolarHBondContact CB-O 3.4Å; F153-N156 VanDerWaalsContact CZ-C 3.49Å; R154-N156 PolarHBondContact O-N 3.43Å; R154-N156 VanDerWaalsContact O-N 3.13Å
157	R	97	Very high	95.2	Very high	96 Å²	96	42.9 Å²	42.9	36%	0.362	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	166.5	175.4	66.8	-172.8	-47.1	176.3	13.9	112.3	R101 P104 F153 R154 N155 E159	R101-R157 PolarHBondContact O-NH2 3.38Å; P104-R157 HydrophobicContact CB-CB 4.05Å; F153-R157 CarbonylContact C-O 3.56Å; F153-R157 WeakPolarHBondContact CA-O 3.45Å; R154-R157 PolarHBondContact N-O 2.92Å; R154-R157 CarbonylContact O-C 3.5Å; R154-R157 PolarHBondContact O-N 2.72Å; N155-R157 VanDerWaalsContact C-N 3.28Å; N155-R157 PolarHBondContact O-N 3.3Å; R157-E159 HydrophobicContact CG-CG 3.92Å
158	W	98	Very high	95.6	Very high	3 Å²	3	45.1 Å²	45.1	1%	0.011	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	129.4	169.9	-70.1	97.2	0	0	0	110.8	V64 P104 Y105 A107 L108 E129 I131 F151 K152 F153	V64-W158 HydrophobicContact CB-CZ2 4.49Å; V64-W158 HydrophobicContact CG1-CZ2 3.7Å; V64-W158 VanDerWaalsContact O-CZ2 3.23Å; V64-W158 WeakPolarHBondContact O-CZ2 3.48Å; P104-W158 PolarHBondContact O-N 2.84Å; Y105-W158 AromaticContact CD1-CD1 3.61Å; Y105-W158 AromaticContact CD1-NE1 3.51Å; Y105-W158 AromaticContact CE1-NE1 3.77Å; A107-W158 HydrophobicContact CB-CB 4.45Å; A107-W158 VanDerWaalsContact CB-O 3.24Å; A107-W158 WeakPolarHBondContact CB-O 3.41Å; L108-W158 HydrophobicContact CD1-CD2 4.07Å; L108-W158 HydrophobicContact CD1-CG 3.85Å; L108-W158 HydrophobicContact CD2-CB 4.08Å; L108-W158 HydrophobicContact CD2-CD2 3.98Å; L108-W158 HydrophobicContact CD2-CE3 4.17Å; L108-W158 HydrophobicContact CD2-CG 3.96Å; L108-W158 HydrophobicContact CG-CB 3.97Å; L108-W158 HydrophobicContact CG-CD2 4.25Å; L108-W158 HydrophobicContact CG-CG 3.81Å; E129-W158 WeakPolarHBondContact O-CH2 3.37Å; I131-W158 HydrophobicContact CD1-CH2 3.68Å; I131-W158 HydrophobicContact CD1-CZ2 3.98Å; I131-W158 HydrophobicContact CD1-CZ3 4.07Å; I131-W158 HydrophobicContact CG1-CH2 3.91Å; I131-W158 HydrophobicContact CG1-CZ3 4.06Å; F151-W158 HydrophobicContact CB-CE3 3.75Å; F151-W158 HydrophobicContact CB-CZ3 4.31Å; F151-W158 WeakPolarHBondContact O-CZ3 2.99Å; K152-W158 VanDerWaalsContact C-CE3 3.5Å; F153-W158 HydrophobicContact CB-CD2 4.13Å; F153-W158 HydrophobicContact CB-CE3 4.14Å; F153-W158 HydrophobicContact CB-CH2 4.32Å; F153-W158 HydrophobicContact CB-CZ2 4.27Å; F153-W158 HydrophobicContact CB-CZ3 4.24Å; F153-W158 AromaticContact CD2-CD1 3.75Å; F153-W158 HydrophobicContact CD2-CD2 4.11Å; F153-W158 AromaticContact CD2-CE2 3.89Å; F153-W158 HydrophobicContact CD2-CG 4.08Å; F153-W158 AromaticContact CD2-NE1 3.63Å
159	E	96.9	Very high	95.6	Very high	45 Å²	45	49.3 Å²	49.3	21%	0.21	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	139.9	179.4	-62.9	-175.7	-169.8	0	0	110.6	F151 K152 R154 N155 R157 I161	F151-E159 CarbonylContact C-O 3.53Å; F151-E159 VanDerWaalsContact CA-O 3.3Å; F151-E159 WeakPolarHBondContact CA-O 3.44Å; K152-E159 PolarHBondContact N-O 2.82Å; K152-E159 PolarHBondContact O-N 2.82Å; R154-E159 HydrophobicContact CG-CB 4.35Å; R154-E159 HydrophobicContact CG-CG 4.3Å; R154-E159 IonicContact CZ-OE2 3.52Å; R154-E159 IonicContact NE-OE2 3.34Å; R154-E159 PolarHBondContact NE-OE2 3.28Å; R154-E159 IonicContact NH2-OE2 2.81Å; R154-E159 PolarHBondContact NH2-OE2 2.82Å; N155-E159 PolarHBondContact ND2-OE1 3.34Å; R157-E159 HydrophobicContact CG-CG 3.92Å; E159-I161 PolarHBondContact O-N 3.24Å
160	D	96	Very high	95.6	Very high	24 Å²	24	53.2 Å²	53.2	13%	0.128	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	106.5	176.3	171.7	24.8	0	0	0	110.7	K149 L150 F151 L162 S163	K149-D160 HydrophobicContact CD-CB 4.24Å; K149-D160 VanDerWaalsContact CD-CG 3.43Å; K149-D160 WeakPolarHBondContact CD-OD2 3.23Å; K149-D160 WeakPolarHBondContact CE-OD2 3.4Å; K149-D160 IonicContact NZ-OD2 2.68Å; K149-D160 PolarHBondContact NZ-OD2 2.74Å; L150-D160 PolarHBondContact N-OD1 2.7Å; L150-D160 CarbonylContact O-C 3.57Å; L150-D160 WeakPolarHBondContact O-CA 3.43Å; F151-D160 HydrophobicContact CD1-CB 4.1Å; F151-D160 HydrophobicContact CE1-CB 3.87Å; D160-L162 WeakPolarHBondContact OD1-CB 3.06Å; D160-L162 PolarHBondContact OD1-N 2.89Å; D160-S163 PolarHBondContact O-N 3.44Å; D160-S163 VanDerWaalsContact OD2-CB 3.3Å; D160-S163 WeakPolarHBondContact OD2-CB 3.42Å; D160-S163 PolarHBondContact OD2-OG 2.78Å
161	I	96	Very high	95.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-79.7	-18.1	-178	63.2	170.2	0	0	0	113	L150 K152 E159 S163 D164 N167 L224 L226	L150-I161 HydrophobicContact CB-CG1 3.96Å; L150-I161 HydrophobicContact CD2-CD1 3.69Å; L150-I161 HydrophobicContact CD2-CG1 3.98Å; L150-I161 HydrophobicContact CG-CD1 3.78Å; L150-I161 HydrophobicContact CG-CG1 3.75Å; L150-I161 VanDerWaalsContact O-CG1 3.3Å; L150-I161 WeakPolarHBondContact O-CG1 3.1Å; L150-I161 PolarHBondContact O-N 3.49Å; K152-I161 HydrophobicContact CB-CD1 4.48Å; K152-I161 HydrophobicContact CB-CG2 3.67Å; E159-I161 PolarHBondContact O-N 3.24Å; I161-S163 PolarHBondContact O-N 2.92Å; I161-D164 WeakPolarHBondContact O-CB 3.16Å; I161-D164 PolarHBondContact O-N 2.65Å; I161-N167 PolarHBondContact O-ND2 3.37Å; I161-L224 HydrophobicContact CD1-CB 4.46Å; I161-L224 HydrophobicContact CD1-CD2 3.38Å; I161-L224 HydrophobicContact CD1-CG 3.96Å; I161-L226 HydrophobicContact CD1-CD1 4.01Å; I161-L226 HydrophobicContact CG1-CD1 4.2Å
162	L	95	Very high	95	Very high	5 Å²	5	56.3 Å²	56.3	3%	0.026	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-68.4	-23.9	172	-77.7	172	0	0	0	111.5	Y132 D148 L150 D160 A173 L226	Y132-L162 HydrophobicContact CE2-CD1 4.11Å; D148-L162 HydrophobicContact CB-CD1 4.35Å; D148-L162 WeakPolarHBondContact O-CD1 3.17Å; L150-L162 HydrophobicContact CB-CD1 3.84Å; L150-L162 HydrophobicContact CB-CG 3.78Å; D160-L162 WeakPolarHBondContact OD1-CB 3.06Å; D160-L162 PolarHBondContact OD1-N 2.89Å; L162-A173 HydrophobicContact CD1-CB 4.37Å; L162-A173 HydrophobicContact CD2-CB 4.15Å; L162-L226 HydrophobicContact CD2-CD1 3.73Å; L162-L226 HydrophobicContact CG-CD1 4.35Å
163	S	93.5	Very high	94.3	Very high	59 Å²	59	56.4 Å²	56.4	41%	0.413	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-84.9	-1.8	174.2	-67.1	0	0	0	0	114.2	K149 D160 I161	K149-S163 PolarHBondContact NZ-OG 2.86Å; D160-S163 PolarHBondContact O-N 3.44Å; D160-S163 VanDerWaalsContact OD2-CB 3.3Å; D160-S163 WeakPolarHBondContact OD2-CB 3.42Å; D160-S163 PolarHBondContact OD2-OG 2.78Å; I161-S163 PolarHBondContact O-N 2.92Å
164	D	95.3	Very high	93.4	Very high	35 Å²	35	54.7 Å²	54.7	19%	0.187	31%	0.31	C	S	.	.	S	Bend	trans	-63.9	140	173.6	-77.7	-12.2	0	0	0	110.5	R154 I161 I166 N167 V168	R154-D164 IonicContact CZ-OD1 2.84Å; R154-D164 IonicContact CZ-OD2 3.58Å; R154-D164 IonicContact NH1-OD1 2.66Å; R154-D164 IonicContact NH1-OD2 3.48Å; R154-D164 PolarHBondContact NH1-OD2 3.11Å; R154-D164 VanDerWaalsContact NH2-CG 3.31Å; R154-D164 IonicContact NH2-OD1 3.15Å; R154-D164 PolarHBondContact NH2-OD1 3.05Å; R154-D164 IonicContact NH2-OD2 3.43Å; R154-D164 PolarHBondContact NH2-OD2 3.08Å; I161-D164 WeakPolarHBondContact O-CB 3.16Å; I161-D164 PolarHBondContact O-N 2.65Å; D164-I166 HydrophobicContact CB-CG2 4.16Å; D164-I166 PolarHBondContact O-N 2.84Å; D164-N167 PolarHBondContact O-N 3.49Å; D164-V168 WeakPolarHBondContact O-CG2 3.31Å; D164-V168 PolarHBondContact O-N 3.43Å
165	D	95.1	Very high	92.5	Very high	148 Å²	148	57.4 Å²	57.4	79%	0.791	33%	0.327	S	S	*	.	H	α-helix	trans	-49.5	-38.1	-177.4	-73.8	-20.6	0	0	0	113	A169	D165-A169 WeakPolarHBondContact O-CB 3.3Å; D165-A169 PolarHBondContact O-N 2.74Å
166	I	96.3	Very high	91.8	Very high	57 Å²	57	53.8 Å²	53.8	29%	0.292	31%	0.306	S	S	.	.	H	α-helix	trans	-65.1	-43.3	177.7	-171	165.8	0	0	0	112.1	D164 A169 R170 I223 A225	D164-I166 HydrophobicContact CB-CG2 4.16Å; D164-I166 PolarHBondContact O-N 2.84Å; I166-A169 PolarHBondContact O-N 2.7Å; I166-R170 WeakPolarHBondContact O-CB 3.47Å; I166-R170 WeakPolarHBondContact O-CG 3.41Å; I166-R170 PolarHBondContact O-N 3.46Å; I166-R170 VanDerWaalsContact O-N 3.12Å; I166-I223 HydrophobicContact CD1-CG2 4.2Å; I166-I223 HydrophobicContact CG2-CG2 4.39Å; I166-A225 HydrophobicContact CD1-CB 3.8Å; I166-A225 HydrophobicContact CG1-CB 4.4Å
167	N	96.5	Very high	90.9	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-78	-33.2	-177.4	-67.6	-35	0	0	0	111.4	I161 D164 R170 G171 V172 L224 L226	I161-N167 PolarHBondContact O-ND2 3.37Å; D164-N167 PolarHBondContact O-N 3.49Å; N167-R170 PolarHBondContact O-N 2.83Å; N167-G171 PolarHBondContact O-N 2.78Å; N167-G171 VanDerWaalsContact O-N 3.07Å; N167-V172 PolarHBondContact O-N 2.88Å; N167-L224 PolarHBondContact ND2-O 3.31Å; N167-L226 PolarHBondContact OD1-N 3.34Å
168	V	93.7	Very high	90	Very high	91 Å²	91	42.6 Å²	42.6	55%	0.552	25%	0.253	S	S	*	.	H	α-helix	trans	-61.7	-48.2	169.1	175.1	0	0	0	0	110.7	D164 R170 G171	D164-V168 WeakPolarHBondContact O-CG2 3.31Å; D164-V168 PolarHBondContact O-N 3.43Å; V168-R170 PolarHBondContact O-N 2.91Å; V168-G171 PolarHBondContact O-N 2.91Å; V168-G171 VanDerWaalsContact O-N 3.08Å
169	A	94.2	Very high	89.5	Confident	89 Å²	89	43.4 Å²	43.4	74%	0.736	26%	0.256	S	S	*	.	H	α-helix	trans	-63	-28.2	178.7	0	0	0	0	0	112.9	D165 I166	D165-A169 WeakPolarHBondContact O-CB 3.3Å; D165-A169 PolarHBondContact O-N 2.74Å; I166-A169 PolarHBondContact O-N 2.7Å
170	R	94.5	Very high	89.3	Confident	98 Å²	98	41.3 Å²	41.3	37%	0.37	25%	0.246	S	C	.	.	H	α-helix	trans	-85.2	-12.3	176.8	-69.3	-177.9	90.5	-173.4	13.8	113.9	I166 N167 V168 V172 D213 L226	I166-R170 WeakPolarHBondContact O-CB 3.47Å; I166-R170 WeakPolarHBondContact O-CG 3.41Å; I166-R170 PolarHBondContact O-N 3.46Å; I166-R170 VanDerWaalsContact O-N 3.12Å; N167-R170 PolarHBondContact O-N 2.83Å; V168-R170 PolarHBondContact O-N 2.91Å; R170-V172 VanDerWaalsContact C-N 3.33Å; R170-V172 HydrophobicContact CB-CG2 3.52Å; R170-V172 PolarHBondContact O-N 3.11Å; R170-D213 IonicContact CZ-OD2 3.75Å; R170-D213 VanDerWaalsContact NH1-CB 3.29Å; R170-D213 IonicContact NH1-OD2 3.14Å; R170-D213 PolarHBondContact NH1-OD2 3.03Å; R170-D213 IonicContact NH2-OD2 2.68Å; R170-D213 PolarHBondContact NH2-OD2 3.42Å; R170-L226 VanDerWaalsContact CZ-O 3.26Å; R170-L226 VanDerWaalsContact NH1-C 3.31Å; R170-L226 PolarHBondContact NH1-O 2.93Å
171	G	90	Very high	89.2	Confident	60 Å²	60	40.2 Å²	40.2	62%	0.619	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	37.3	178.1	0	0	0	0	0	113.7	N167 V168	N167-G171 PolarHBondContact O-N 2.78Å; N167-G171 VanDerWaalsContact O-N 3.07Å; V168-G171 PolarHBondContact O-N 2.91Å; V168-G171 VanDerWaalsContact O-N 3.08Å
172	V	90.9	Very high	89.3	Confident	11 Å²	11	40.2 Å²	40.2	7%	0.067	24%	0.241	C	C	.	.			trans	-80.6	-30.9	-170.6	-170.3	0	0	0	0	112.6	N167 R170 S174 I210 L226	N167-V172 PolarHBondContact O-N 2.88Å; R170-V172 VanDerWaalsContact C-N 3.33Å; R170-V172 HydrophobicContact CB-CG2 3.52Å; R170-V172 PolarHBondContact O-N 3.11Å; V172-S174 PolarHBondContact O-N 3.44Å; V172-I210 HydrophobicContact CG1-CD1 4.18Å; V172-I210 HydrophobicContact CG1-CG1 4.11Å; V172-I210 HydrophobicContact CG1-CG2 3.72Å; V172-I210 WeakPolarHBondContact O-CD1 3.36Å; V172-L226 HydrophobicContact CB-CB 4.43Å; V172-L226 HydrophobicContact CG1-CB 3.84Å; V172-L226 HydrophobicContact CG2-CB 4.36Å; V172-L226 WeakPolarHBondContact CG2-O 3.29Å
173	A	83.9	Confident	89.4	Confident	17 Å²	17	40 Å²	40	14%	0.14	24%	0.24	C	C	.	.	S	Bend	trans	-60.6	130.8	179.7	0	0	0	0	0	109.9	T147 L162 L175	T147-A173 HydrophobicContact CG2-CB 4.01Å; L162-A173 HydrophobicContact CD1-CB 4.37Å; L162-A173 HydrophobicContact CD2-CB 4.15Å; A173-L175 PolarHBondContact O-N 3.19Å
174	S	77.3	Confident	89.6	Confident	9 Å²	9	37.2 Å²	37.2	6%	0.063	22%	0.22	C	C	.	.			trans	-57.7	127.7	174.7	-175.9	0	0	0	0	108.5	D148 V172 F176 N198	D148-S174 WeakPolarHBondContact OD2-CB 3.41Å; V172-S174 PolarHBondContact O-N 3.44Å; S174-F176 VanDerWaalsContact C-N 3.3Å; S174-F176 PolarHBondContact OG-N 2.76Å; S174-N198 PolarHBondContact OG-OD1 2.81Å
175	L	75	Confident	89.8	Confident	96 Å²	96	35.7 Å²	35.7	50%	0.503	21%	0.212	S	C	.	.			trans	-89.9	-1.9	173.2	-64.4	-179.9	0	0	0	111.1	V143 A144 T147 A173	V143-L175 CarbonylContact C-O 3.37Å; V143-L175 WeakPolarHBondContact CA-O 3.26Å; V143-L175 HydrophobicContact CG1-CB 4.4Å; A144-L175 PolarHBondContact N-O 3.22Å; T147-L175 HydrophobicContact CG2-CD2 4.49Å; A173-L175 PolarHBondContact O-N 3.19Å
176	F	78.1	Confident	89.9	Confident	46 Å²	46	29.3 Å²	29.3	20%	0.202	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-104.6	153.2	-173.2	-58.2	-75.5	0	0	0	111.7	G142 V143 S174 G178 N198 V204	G142-F176 CarbonylContact O-C 3.58Å; G142-F176 VanDerWaalsContact O-CA 3.23Å; G142-F176 WeakPolarHBondContact O-CA 3.5Å; V143-F176 HydrophobicContact CG2-CD1 4.49Å; V143-F176 HydrophobicContact CG2-CE1 4.21Å; S174-F176 VanDerWaalsContact C-N 3.3Å; S174-F176 PolarHBondContact OG-N 2.76Å; F176-G178 VanDerWaalsContact C-N 3.32Å; F176-G178 PolarHBondContact O-N 3.12Å; F176-N198 HydrophobicContact CB-CB 4.38Å; F176-V204 HydrophobicContact CE1-CG1 3.67Å; F176-V204 HydrophobicContact CZ-CG1 4.23Å
177	A	75.2	Confident	89.9	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.187	C	C	.	.			trans	-64.2	93.4	171.4	0	0	0	0	0	110.3	T136 A139 G142 Y199	T136-A177 HydrophobicContact CG2-CB 4.43Å; A139-A177 HydrophobicContact CB-CB 4.04Å; A139-A177 VanDerWaalsContact O-CB 3.31Å; A139-A177 WeakPolarHBondContact O-CB 3.44Å; G142-A177 PolarHBondContact O-N 2.95Å; A177-Y199 PolarHBondContact O-N 3.21Å
178	G	79.2	Confident	90	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	158.7	168.8	0	0	0	0	0	111.4	L134 F176 A197 N198	L134-G178 VanDerWaalsContact CD1-C 3.45Å; L134-G178 VanDerWaalsContact CD2-C 3.44Å; L134-G178 VanDerWaalsContact CD2-O 3.24Å; L134-G178 WeakPolarHBondContact CD2-O 3.43Å; F176-G178 VanDerWaalsContact C-N 3.32Å; F176-G178 PolarHBondContact O-N 3.12Å; G178-A197 CarbonylContact C-O 3.02Å; G178-A197 WeakPolarHBondContact CA-O 3.37Å; G178-N198 WeakPolarHBondContact CA-OD1 3.35Å; G178-N198 PolarHBondContact N-OD1 2.88Å
179	R	87.2	Confident	90.1	Very high	20 Å²	20	29.1 Å²	29.1	8%	0.075	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	-13.7	-176.2	-69.9	-55.9	-170.6	177.3	4.8	114.5	F140 A197 Y199 G241 Y484 L485	F140-R179 VanDerWaalsContact CA-NH2 3.34Å; F140-R179 VanDerWaalsContact CG-NH2 3.29Å; F140-R179 PolarHBondContact O-NE 3.18Å; F140-R179 PolarHBondContact O-NH2 2.86Å; R179-A197 PolarHBondContact N-O 3.48Å; R179-Y199 HydrophobicContact CG-CD2 4Å; R179-Y199 HydrophobicContact CG-CG 4.41Å; R179-G241 WeakPolarHBondContact CB-O 3.21Å; R179-Y484 WeakPolarHBondContact O-CE2 3.4Å; R179-L485 WeakPolarHBondContact O-CD2 3.45Å
180	S	92.1	Very high	90.2	Very high	1 Å²	1	25 Å²	25	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	162.8	166.8	-142.6	0	0	0	0	110	A197 R242 G483 L485	S180-A197 PolarHBondContact N-O 3.16Å; S180-A197 PolarHBondContact O-N 2.84Å; S180-R242 WeakPolarHBondContact CB-O 3.47Å; S180-R242 PolarHBondContact OG-O 3.45Å; S180-G483 PolarHBondContact OG-O 3.07Å; S180-G483 VanDerWaalsContact OG-O 3.1Å; S180-L485 PolarHBondContact OG-N 3.39Å
181	V	95.4	Very high	90.4	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.012	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	145.6	-178.2	65.7	0	0	0	0	109.5	T119 Y132 L134 I194 Y195 I196	T119-V181 HydrophobicContact CG2-CB 4.23Å; T119-V181 HydrophobicContact CG2-CG1 3.81Å; T119-V181 HydrophobicContact CG2-CG2 3.53Å; Y132-V181 HydrophobicContact CD1-CG2 3.73Å; Y132-V181 HydrophobicContact CE1-CG2 4.03Å; Y132-V181 HydrophobicContact CG-CG2 4.39Å; L134-V181 HydrophobicContact CD1-CB 4.4Å; V181-I194 HydrophobicContact CG2-CG2 3.3Å; V181-Y195 CarbonylContact C-O 3.54Å; V181-Y195 VanDerWaalsContact CA-O 3.27Å; V181-Y195 WeakPolarHBondContact CA-O 3.39Å; V181-Y195 WeakPolarHBondContact CG2-O 3.38Å; V181-I196 HydrophobicContact CG2-CG1 4.36Å
182	A	96.9	Very high	90.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	151.3	178.4	0	0	0	0	0	111.8	Y195 V244 V246 G480	A182-Y195 PolarHBondContact N-O 3.25Å; A182-Y195 PolarHBondContact O-N 3.27Å; A182-V244 HydrophobicContact CB-CB 4.09Å; A182-V244 HydrophobicContact CB-CG1 3.43Å; A182-V244 VanDerWaalsContact CB-CG1 3.43Å; A182-V246 HydrophobicContact CB-CG2 3.68Å; A182-G480 CarbonylContact C-O 3.59Å; A182-G480 WeakPolarHBondContact CA-O 3.25Å; A182-G480 VanDerWaalsContact CB-O 3.31Å; A182-G480 WeakPolarHBondContact CB-O 3.23Å
183	C	97.9	Very high	91.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	127.3	174.1	-75.6	0	0	0	0	111.8	T119 A120 C121 Y192 G480	T119-C183 PolarHBondContact OG1-SG 2.92Å; A120-C183 VanDerWaalsContact C-SG 3.58Å; C121-C183 HydrophobicContact CB-CB 3.52Å; C121-C183 WeakPolarHBondContact CB-SG 3.32Å; C121-C183 WeakPolarHBondContact SG-CB 3.37Å; C121-C183 CovalentContact SG-SG 2.03Å; C121-C183 PolarHBondContact SG-SG 2.93Å; C183-Y192 HydrophobicContact CB-CD1 3.96Å; C183-G480 PolarHBondContact N-O 3.02Å
184	V	97.9	Very high	91.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	109.7	-175.8	-167.2	0	0	0	0	111	R186 S193 V246 I257 F277	V184-R186 HydrophobicContact CG1-CB 3.93Å; V184-R186 PolarHBondContact O-N 3.44Å; V184-S193 PolarHBondContact N-O 2.76Å; V184-S193 PolarHBondContact O-N 3.07Å; V184-V246 HydrophobicContact CB-CG1 4.49Å; V184-V246 HydrophobicContact CG1-CG1 4.25Å; V184-V246 HydrophobicContact CG2-CG1 4.29Å; V184-V246 HydrophobicContact CG2-CG2 3.84Å; V184-I257 HydrophobicContact CG1-CD1 4.09Å; V184-I257 HydrophobicContact CG1-CG1 4.13Å; V184-I257 HydrophobicContact CG2-CD1 3.8Å; V184-I257 HydrophobicContact CG2-CG1 4.01Å; V184-F277 HydrophobicContact CG1-CZ 4.26Å
185	D	98.2	Very high	92.6	Very high	3 Å²	3	19 Å²	19	2%	0.016	10%	0.095	C	C	.	.			trans	-80.8	75.6	164.2	-175.9	6.7	0	0	0	108.9	M187 G188 S189 G190 Y192 S255 P509	D185-M187 PolarHBondContact O-N 2.89Å; D185-G188 PolarHBondContact O-N 2.81Å; D185-G188 VanDerWaalsContact OD1-CA 3.28Å; D185-G188 WeakPolarHBondContact OD1-CA 3.34Å; D185-G188 PolarHBondContact OD1-N 2.93Å; D185-G188 VanDerWaalsContact OD2-CA 3.29Å; D185-G188 WeakPolarHBondContact OD2-CA 3.36Å; D185-S189 PolarHBondContact OD1-N 2.81Å; D185-S189 PolarHBondContact OD2-N 2.89Å; D185-G190 WeakPolarHBondContact OD2-CA 3.4Å; D185-G190 PolarHBondContact OD2-N 3.16Å; D185-Y192 HydrophobicContact CB-CD1 3.94Å; D185-Y192 HydrophobicContact CB-CE1 3.64Å; D185-Y192 HydrophobicContact CB-CE2 4.46Å; D185-Y192 HydrophobicContact CB-CG 4.44Å; D185-S255 PolarHBondContact O-OG 2.9Å; D185-P509 HydrophobicContact CB-CB 4.33Å; D185-P509 HydrophobicContact CB-CG 4.23Å
186	R	97.6	Very high	93.5	Very high	15 Å²	15	14.5 Å²	14.5	6%	0.057	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-23.4	-173.9	73.3	-175	-174.6	85.3	4.1	113.1	V184 E211 N271 G275 F277	V184-R186 HydrophobicContact CG1-CB 3.93Å; V184-R186 PolarHBondContact O-N 3.44Å; R186-E211 IonicContact CZ-OE1 2.76Å; R186-E211 IonicContact CZ-OE2 3.07Å; R186-E211 IonicContact NE-OE2 3.76Å; R186-E211 PolarHBondContact NE-OE2 3.05Å; R186-E211 IonicContact NH2-OE1 3.92Å; R186-E211 PolarHBondContact NH2-OE1 2.9Å; R186-E211 IonicContact NH2-OE2 2.75Å; R186-E211 PolarHBondContact NH2-OE2 2.86Å; R186-N271 PolarHBondContact O-ND2 2.82Å; R186-G275 PolarHBondContact NH1-O 2.79Å; R186-G275 VanDerWaalsContact O-CA 3.23Å; R186-G275 WeakPolarHBondContact O-CA 3.42Å; R186-F277 HydrophobicContact CB-CE2 3.98Å; R186-F277 HydrophobicContact CB-CZ 3.79Å
187	M	97.3	Very high	94.2	Very high	103 Å²	103	12.3 Å²	12.3	51%	0.507	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-7.9	-178.4	-61	-56.1	-62.5	0	0	113.1	D185 S189	D185-M187 PolarHBondContact O-N 2.89Å; M187-S189 PolarHBondContact O-N 3.36Å
188	G	96.7	Very high	94.8	Very high	5 Å²	5	12.4 Å²	12.4	5%	0.052	6%	0.062	C	C	.	.	S	Bend	trans	67.3	19.2	-171.3	0	0	0	0	0	113.7	D185 D510	D185-G188 PolarHBondContact O-N 2.81Å; D185-G188 VanDerWaalsContact OD1-CA 3.28Å; D185-G188 WeakPolarHBondContact OD1-CA 3.34Å; D185-G188 PolarHBondContact OD1-N 2.93Å; D185-G188 VanDerWaalsContact OD2-CA 3.29Å; D185-G188 WeakPolarHBondContact OD2-CA 3.36Å; G188-D510 VanDerWaalsContact O-CB 3.29Å; G188-D510 WeakPolarHBondContact O-CB 3.47Å
189	S	96.6	Very high	95.1	Very high	36 Å²	36	13.8 Å²	13.8	25%	0.252	7%	0.068	S	C	.	.	S	Bend	trans	-83.1	-16.4	-170.7	69.6	0	0	0	0	113.2	D185 M187 R191 R454 F455	D185-S189 PolarHBondContact OD1-N 2.81Å; D185-S189 PolarHBondContact OD2-N 2.89Å; M187-S189 PolarHBondContact O-N 3.36Å; S189-R191 VanDerWaalsContact C-N 3.28Å; S189-R191 WeakPolarHBondContact OG-CB 3.49Å; S189-R191 PolarHBondContact OG-N 3.35Å; S189-R191 PolarHBondContact OG-O 3.13Å; S189-R454 VanDerWaalsContact O-CD 3.3Å; S189-R454 WeakPolarHBondContact O-CD 3.45Å; S189-R454 PolarHBondContact O-NE 3.18Å; S189-F455 VanDerWaalsContact O-CE2 3.3Å; S189-F455 WeakPolarHBondContact O-CE2 3.46Å
190	G	96.8	Very high	95	Very high	4 Å²	4	13.5 Å²	13.5	4%	0.041	7%	0.07	C	C	.	.	S	Bend	trans	81.1	3.7	-163.2	0	0	0	0	0	114	D185	D185-G190 WeakPolarHBondContact OD2-CA 3.4Å; D185-G190 PolarHBondContact OD2-N 3.16Å
191	R	98	Very high	94.4	Very high	62 Å²	62	22.1 Å²	22.1	23%	0.234	10%	0.103	C	C	.	.			trans	-106	135.5	168.4	-63.6	175.8	-177.3	-98.6	-25.2	109	D122 D124 G125 S189 M212 F455	D122-R191 WeakPolarHBondContact O-CA 3.44Å; D124-R191 VanDerWaalsContact C-CZ 3.44Å; D124-R191 PolarHBondContact O-NH1 2.89Å; D124-R191 PolarHBondContact O-NH2 3.12Å; G125-R191 PolarHBondContact O-NH2 3.49Å; S189-R191 VanDerWaalsContact C-N 3.28Å; S189-R191 WeakPolarHBondContact OG-CB 3.49Å; S189-R191 PolarHBondContact OG-N 3.35Å; S189-R191 PolarHBondContact OG-O 3.13Å; R191-M212 PolarHBondContact NH1-SD 2.82Å; R191-F455 HydrophobicContact CG-CD2 4.45Å; R191-F455 HydrophobicContact CG-CE2 3.81Å; R191-F455 HydrophobicContact CG-CZ 4.43Å
192	Y	98.4	Very high	93.8	Very high	3 Å²	3	25 Å²	25	1%	0.012	13%	0.133	C	C	.	.			trans	-101.4	148.7	-172.7	-70.6	-98.2	0	0	0	112.8	C121 D122 C183 D185 T453 F458 R460	C121-Y192 HydrophobicContact CB-CD1 4.01Å; C121-Y192 HydrophobicContact CB-CD2 3.94Å; C121-Y192 HydrophobicContact CB-CG 3.61Å; C121-Y192 WeakPolarHBondContact SG-CB 3.46Å; D122-Y192 WeakPolarHBondContact O-CD2 3.36Å; D122-Y192 PolarHBondContact O-N 3.39Å; C183-Y192 HydrophobicContact CB-CD1 3.96Å; D185-Y192 HydrophobicContact CB-CD1 3.94Å; D185-Y192 HydrophobicContact CB-CE1 3.64Å; D185-Y192 HydrophobicContact CB-CE2 4.46Å; D185-Y192 HydrophobicContact CB-CG 4.44Å; Y192-T453 HydrophobicContact CE2-CG2 4.09Å; Y192-F458 PolarHBondContact OH-O 2.91Å; Y192-R460 HydrophobicContact CE1-CB 3.73Å; Y192-R460 WeakPolarHBondContact CE1-O 3.02Å; Y192-R460 PolarHBondContact OH-N 2.88Å; Y192-R460 PolarHBondContact OH-O 3.13Å
193	S	98	Very high	93.2	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	149.5	161.2	-46	0	0	0	0	108.9	V184 I210 E211	V184-S193 PolarHBondContact N-O 2.76Å; V184-S193 PolarHBondContact O-N 3.07Å; S193-I210 CarbonylContact C-O 3.54Å; S193-I210 VanDerWaalsContact CA-O 3.25Å; S193-I210 WeakPolarHBondContact CA-O 3.11Å; S193-E211 PolarHBondContact OG-OE2 2.81Å
194	I	97	Very high	92.6	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	109.4	171.6	-55.7	-63.4	0	0	0	108.5	T119 C121 I123 Y132 V181 I196 L209 I210	T119-I194 HydrophobicContact CG2-CD1 4.05Å; T119-I194 HydrophobicContact CG2-CG2 4.48Å; C121-I194 WeakPolarHBondContact SG-CD1 3.44Å; I123-I194 HydrophobicContact CD1-CD1 4.01Å; I123-I194 HydrophobicContact CD1-CG1 3.65Å; I123-I194 HydrophobicContact CG1-CD1 4.4Å; I123-I194 HydrophobicContact CG1-CG1 4.32Å; Y132-I194 HydrophobicContact CD1-CG2 4.2Å; Y132-I194 HydrophobicContact CD2-CB 4.43Å; Y132-I194 HydrophobicContact CD2-CG1 4.24Å; Y132-I194 HydrophobicContact CD2-CG2 3.85Å; Y132-I194 HydrophobicContact CE1-CG2 4.43Å; Y132-I194 HydrophobicContact CE2-CG2 4.11Å; Y132-I194 HydrophobicContact CG-CG2 3.89Å; V181-I194 HydrophobicContact CG2-CG2 3.3Å; I194-I196 HydrophobicContact CG2-CG1 4Å; I194-L209 CarbonylContact O-C 3.52Å; I194-L209 WeakPolarHBondContact O-CA 3.35Å; I194-I210 PolarHBondContact N-O 2.92Å; I194-I210 PolarHBondContact O-N 3.31Å
195	Y	96.2	Very high	92	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	129.1	171.1	175.9	-102.3	0	0	0	109.5	V181 A182 A197 D207 L209 V235 V244 I257 F269	V181-Y195 CarbonylContact C-O 3.54Å; V181-Y195 VanDerWaalsContact CA-O 3.27Å; V181-Y195 WeakPolarHBondContact CA-O 3.39Å; V181-Y195 WeakPolarHBondContact CG2-O 3.38Å; A182-Y195 PolarHBondContact N-O 3.25Å; A182-Y195 PolarHBondContact O-N 3.27Å; Y195-A197 HydrophobicContact CE1-CB 4.05Å; Y195-D207 HydrophobicContact CE2-CB 3.84Å; Y195-D207 PolarHBondContact OH-OD2 3.35Å; Y195-L209 HydrophobicContact CD2-CD1 4.4Å; Y195-V235 HydrophobicContact CD2-CG2 4.22Å; Y195-V235 HydrophobicContact CE2-CB 4.16Å; Y195-V235 HydrophobicContact CE2-CG2 4.19Å; Y195-V244 HydrophobicContact CD1-CG1 3.84Å; Y195-V244 HydrophobicContact CD1-CG2 4.1Å; Y195-V244 HydrophobicContact CE1-CG1 4.06Å; Y195-V244 HydrophobicContact CE1-CG2 3.78Å; Y195-I257 HydrophobicContact CD1-CG2 4.16Å; Y195-I257 HydrophobicContact CD2-CD1 4.27Å; Y195-I257 HydrophobicContact CE1-CG2 4.15Å; Y195-I257 HydrophobicContact CG-CD1 4.31Å; Y195-F269 HydrophobicContact CE2-CE2 4.35Å
196	I	94	Very high	91.6	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	112.2	-177.7	-54.8	150.5	0	0	0	107.7	Y132 V181 I194 N198 D207 A208 I210	Y132-I196 HydrophobicContact CE1-CG1 4.33Å; Y132-I196 HydrophobicContact CE2-CD1 4.28Å; Y132-I196 WeakPolarHBondContact OH-CD1 3.45Å; V181-I196 HydrophobicContact CG2-CG1 4.36Å; I194-I196 HydrophobicContact CG2-CG1 4Å; I196-N198 PolarHBondContact O-N 3.02Å; I196-D207 WeakPolarHBondContact O-CA 3.38Å; I196-A208 HydrophobicContact CB-CB 4.28Å; I196-A208 HydrophobicContact CD1-CB 4.1Å; I196-A208 PolarHBondContact N-O 2.92Å; I196-A208 PolarHBondContact O-N 3.04Å; I196-I210 HydrophobicContact CD1-CD1 3.5Å; I196-I210 HydrophobicContact CD1-CG1 3.92Å
197	A	91.7	Very high	91.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	112.3	175.3	0	0	0	0	0	109	G178 R179 S180 Y195 D207 V244	G178-A197 CarbonylContact C-O 3.02Å; G178-A197 WeakPolarHBondContact CA-O 3.37Å; R179-A197 PolarHBondContact N-O 3.48Å; S180-A197 PolarHBondContact N-O 3.16Å; S180-A197 PolarHBondContact O-N 2.84Å; Y195-A197 HydrophobicContact CE1-CB 4.05Å; A197-D207 WeakPolarHBondContact CA-OD1 3.19Å; A197-V244 HydrophobicContact CB-CG2 3.96Å
198	N	88.5	Confident	91.3	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.011	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	155.3	-176	-80.5	-35.4	0	0	0	111.6	S174 F176 G178 I196 A200 G205 P206 D207 G241	S174-N198 PolarHBondContact OG-OD1 2.81Å; F176-N198 HydrophobicContact CB-CB 4.38Å; G178-N198 WeakPolarHBondContact CA-OD1 3.35Å; G178-N198 PolarHBondContact N-OD1 2.88Å; I196-N198 PolarHBondContact O-N 3.02Å; N198-A200 PolarHBondContact O-N 2.99Å; N198-G205 WeakPolarHBondContact CB-O 3.44Å; N198-P206 PolarHBondContact ND2-O 3.33Å; N198-D207 PolarHBondContact N-OD1 3.08Å; N198-G241 PolarHBondContact O-N 3.33Å
199	Y	85.8	Confident	91.2	Very high	30 Å²	30	30.4 Å²	30.4	12%	0.118	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-86.8	89	165.7	-157.4	-67.1	0	0	0	109.5	F140 A177 R179 A240 N263	F140-Y199 HydrophobicContact CE1-CD2 4.39Å; F140-Y199 HydrophobicContact CE1-CE1 4.28Å; F140-Y199 AromaticContact CE1-CE2 3.82Å; F140-Y199 HydrophobicContact CE1-CE2 3.82Å; F140-Y199 AromaticContact CE1-CZ 3.75Å; F140-Y199 HydrophobicContact CZ-CE2 4.19Å; A177-Y199 PolarHBondContact O-N 3.21Å; R179-Y199 HydrophobicContact CG-CD2 4Å; R179-Y199 HydrophobicContact CG-CG 4.41Å; Y199-A240 HydrophobicContact CD1-CB 4.07Å; Y199-A240 HydrophobicContact CD2-CB 3.42Å; Y199-A240 VanDerWaalsContact CD2-CB 3.42Å; Y199-A240 HydrophobicContact CE1-CB 3.97Å; Y199-A240 HydrophobicContact CE2-CB 3.3Å; Y199-A240 HydrophobicContact CG-CB 3.82Å; Y199-N263 PolarHBondContact OH-ND2 3.1Å; Y199-N263 VanDerWaalsContact OH-ND2 3.16Å
200	A	84.8	Confident	91.3	Very high	14 Å²	14	28.7 Å²	28.7	12%	0.116	16%	0.157	C	C	.	.			trans	-67.8	147	180	0	0	0	0	0	112.1	N198 V204 G205 Y238 T239	N198-A200 PolarHBondContact O-N 2.99Å; A200-V204 VanDerWaalsContact CA-O 3.28Å; A200-V204 WeakPolarHBondContact CA-O 3.45Å; A200-G205 WeakPolarHBondContact CB-O 3.09Å; A200-Y238 HydrophobicContact CB-CD1 4.35Å; A200-T239 VanDerWaalsContact CB-O 3.24Å; A200-T239 WeakPolarHBondContact CB-O 3.35Å; A200-T239 PolarHBondContact N-O 2.92Å
201	Y	79	Confident	91.3	Very high	182 Å²	182	29.3 Å²	29.3	71%	0.714	16%	0.159	S	C	*	.	B	Isolated β-bridge	trans	-120	105	166.2	179.6	-93.8	0	0	0	108.7	D203 V204	Y201-D203 PolarHBondContact O-N 2.82Å; Y201-V204 PolarHBondContact N-O 3.3Å; Y201-V204 WeakPolarHBondContact O-CB 3.49Å; Y201-V204 PolarHBondContact O-N 3.2Å; Y201-V204 VanDerWaalsContact O-N 3.17Å
202	G	82.9	Confident	91.3	Very high	61 Å²	61	27.2 Å²	27.2	63%	0.629	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.9	-123.1	-172	0	0	0	0	0	111.1	Y238	G202-Y238 WeakPolarHBondContact O-CB 3.32Å
203	D	84.1	Confident	91.3	Very high	124 Å²	124	27.7 Å²	27.7	66%	0.663	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	22.5	177.2	61.5	-22.1	0	0	0	112.9	Y201 Y238	Y201-D203 PolarHBondContact O-N 2.82Å; D203-Y238 VanDerWaalsContact C-CD1 3.45Å; D203-Y238 HydrophobicContact CB-CE1 4.44Å; D203-Y238 WeakPolarHBondContact O-CE1 3.17Å
204	V	84.4	Confident	91.2	Very high	74 Å²	74	31.4 Å²	31.4	45%	0.448	18%	0.179	S	C	.	.	B	Isolated β-bridge	trans	-117.1	133.6	178.8	-178.7	0	0	0	0	110.2	F176 A200 Y201	F176-V204 HydrophobicContact CE1-CG1 3.67Å; F176-V204 HydrophobicContact CZ-CG1 4.23Å; A200-V204 VanDerWaalsContact CA-O 3.28Å; A200-V204 WeakPolarHBondContact CA-O 3.45Å; Y201-V204 PolarHBondContact N-O 3.3Å; Y201-V204 WeakPolarHBondContact O-CB 3.49Å; Y201-V204 PolarHBondContact O-N 3.2Å; Y201-V204 VanDerWaalsContact O-N 3.17Å
205	G	85.4	Confident	91.1	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.01	22%	0.221	C	C	.	.	S	Bend	trans	80.5	58	-178.6	0	0	0	0	0	113.3	N198 A200	N198-G205 WeakPolarHBondContact CB-O 3.44Å; A200-G205 WeakPolarHBondContact CB-O 3.09Å
206	P	91.4	Very high	91.2	Very high	35 Å²	35	42.3 Å²	42.3	23%	0.227	24%	0.237	C	C	.	.			trans	-65	159.4	175	31.2	-33.8	0	0	0	110.7	N198 K237 Y238	N198-P206 PolarHBondContact ND2-O 3.33Å; P206-K237 CarbonylContact C-O 3.54Å; P206-K237 VanDerWaalsContact CA-O 3.23Å; P206-K237 WeakPolarHBondContact CA-O 3.37Å; P206-Y238 HydrophobicContact CB-CD1 3.98Å; P206-Y238 HydrophobicContact CB-CE1 3.57Å; P206-Y238 HydrophobicContact CB-CE2 4.47Å; P206-Y238 HydrophobicContact CG-CE1 4.01Å
207	D	92.8	Very high	91.4	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	24%	0.244	C	C	.	.			trans	-55.7	144.3	166.5	-63.1	-20.8	0	0	0	111.1	Y195 I196 A197 N198 A230 K237	Y195-D207 HydrophobicContact CE2-CB 3.84Å; Y195-D207 PolarHBondContact OH-OD2 3.35Å; I196-D207 WeakPolarHBondContact O-CA 3.38Å; A197-D207 WeakPolarHBondContact CA-OD1 3.19Å; N198-D207 PolarHBondContact N-OD1 3.08Å; D207-A230 VanDerWaalsContact O-CB 3.29Å; D207-A230 WeakPolarHBondContact O-CB 3.38Å; D207-K237 PolarHBondContact N-O 2.76Å
208	A	94	Very high	91.6	Very high	6 Å²	6	46 Å²	46	5%	0.05	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	158.4	-178.9	0	0	0	0	0	111.3	I196	I196-A208 HydrophobicContact CB-CB 4.28Å; I196-A208 HydrophobicContact CD1-CB 4.1Å; I196-A208 PolarHBondContact N-O 2.92Å; I196-A208 PolarHBondContact O-N 3.04Å
209	L	96.4	Very high	91.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	95.7	177.6	-174.1	63.1	0	0	0	108.2	I194 Y195 D228 V229 A230 A233 V235	I194-L209 CarbonylContact O-C 3.52Å; I194-L209 WeakPolarHBondContact O-CA 3.35Å; Y195-L209 HydrophobicContact CD2-CD1 4.4Å; L209-D228 PolarHBondContact N-OD1 3.19Å; L209-D228 CarbonylContact O-C 3.54Å; L209-D228 WeakPolarHBondContact O-CA 3.41Å; L209-V229 HydrophobicContact CB-CG2 4.21Å; L209-V229 HydrophobicContact CD2-CG2 3.95Å; L209-V229 HydrophobicContact CG-CG2 3.94Å; L209-V229 WeakPolarHBondContact O-CG2 3.31Å; L209-V229 PolarHBondContact O-N 3.24Å; L209-A230 HydrophobicContact CB-CB 3.96Å; L209-A233 HydrophobicContact CD2-CB 3.65Å; L209-V235 HydrophobicContact CB-CG2 4.05Å; L209-V235 HydrophobicContact CD2-CG2 3.96Å
210	I	97	Very high	92	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	133	-174.5	-60.2	176.9	0	0	0	109.6	Y132 V172 S193 I194 I196 L226 R227	Y132-I210 HydrophobicContact CE2-CD1 4.48Å; V172-I210 HydrophobicContact CG1-CD1 4.18Å; V172-I210 HydrophobicContact CG1-CG1 4.11Å; V172-I210 HydrophobicContact CG1-CG2 3.72Å; V172-I210 WeakPolarHBondContact O-CD1 3.36Å; S193-I210 CarbonylContact C-O 3.54Å; S193-I210 VanDerWaalsContact CA-O 3.25Å; S193-I210 WeakPolarHBondContact CA-O 3.11Å; I194-I210 PolarHBondContact N-O 2.92Å; I194-I210 PolarHBondContact O-N 3.31Å; I196-I210 HydrophobicContact CD1-CD1 3.5Å; I196-I210 HydrophobicContact CD1-CG1 3.92Å; I210-L226 HydrophobicContact CG2-CB 4.05Å; I210-L226 HydrophobicContact CG2-CD1 4.41Å; I210-L226 HydrophobicContact CG2-CD2 4.4Å; I210-R227 WeakPolarHBondContact CA-O 3.1Å
211	E	97.7	Very high	92.2	Very high	16 Å²	16	61.4 Å²	61.4	8%	0.075	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	167.6	175.4	66.1	-179.6	-153.8	0	0	112	R186 S193 D213 L226 R227 V229	R186-E211 IonicContact CZ-OE1 2.76Å; R186-E211 IonicContact CZ-OE2 3.07Å; R186-E211 IonicContact NE-OE2 3.76Å; R186-E211 PolarHBondContact NE-OE2 3.05Å; R186-E211 IonicContact NH2-OE1 3.92Å; R186-E211 PolarHBondContact NH2-OE1 2.9Å; R186-E211 IonicContact NH2-OE2 2.75Å; R186-E211 PolarHBondContact NH2-OE2 2.86Å; S193-E211 PolarHBondContact OG-OE2 2.81Å; E211-D213 PolarHBondContact O-N 2.85Å; E211-L226 CarbonylContact O-C 3.55Å; E211-L226 VanDerWaalsContact O-CA 3.3Å; E211-L226 WeakPolarHBondContact O-CA 3.28Å; E211-R227 HydrophobicContact CG-CG 4.14Å; E211-R227 PolarHBondContact N-O 2.9Å; E211-R227 PolarHBondContact O-N 3.46Å; E211-R227 IonicContact OE1-CZ 3.91Å; E211-R227 IonicContact OE1-NE 2.75Å; E211-R227 PolarHBondContact OE1-NE 2.84Å; E211-R227 IonicContact OE1-NH2 3.58Å; E211-R227 PolarHBondContact OE1-NH2 2.94Å; E211-V229 HydrophobicContact CG-CG1 4.02Å; E211-V229 HydrophobicContact CG-CG2 3.87Å
212	M	97.9	Very high	92.6	Very high	18 Å²	18	54.3 Å²	54.3	9%	0.089	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	134.4	168.9	-177.8	-177.1	79.4	0	0	110.9	I123 D124 R191 P214 L219 L224	I123-M212 HydrophobicContact CG2-CB 4.15Å; D124-M212 HydrophobicContact CB-SD 3.91Å; R191-M212 PolarHBondContact NH1-SD 2.82Å; M212-P214 HydrophobicContact CE-CB 3.92Å; M212-P214 HydrophobicContact CE-CG 3.8Å; M212-P214 WeakPolarHBondContact O-CD 3.25Å; M212-L219 HydrophobicContact SD-CD1 4.23Å; M212-L219 HydrophobicContact SD-CD2 4.23Å; M212-L224 HydrophobicContact CB-CD1 3.92Å; M212-L224 HydrophobicContact CG-CD1 3.45Å; M212-L224 VanDerWaalsContact CG-CD1 3.45Å; M212-L224 HydrophobicContact SD-CD1 3.83Å
213	D	97.9	Very high	93	Very high	14 Å²	14	53.8 Å²	53.8	8%	0.075	30%	0.3	C	S	.	.			trans	-91.5	106.2	161.9	-172.3	-31.4	0	0	0	109.2	R170 E211 E215 A216 S217 A225 R227	R170-D213 IonicContact CZ-OD2 3.75Å; R170-D213 VanDerWaalsContact NH1-CB 3.29Å; R170-D213 IonicContact NH1-OD2 3.14Å; R170-D213 PolarHBondContact NH1-OD2 3.03Å; R170-D213 IonicContact NH2-OD2 2.68Å; R170-D213 PolarHBondContact NH2-OD2 3.42Å; E211-D213 PolarHBondContact O-N 2.85Å; D213-E215 VanDerWaalsContact C-N 3.26Å; D213-E215 PolarHBondContact O-N 3.09Å; D213-E215 PolarHBondContact OD1-N 3.44Å; D213-A216 HydrophobicContact CB-CB 4.16Å; D213-A216 PolarHBondContact O-N 3.48Å; D213-A216 PolarHBondContact OD1-N 3.19Å; D213-S217 VanDerWaalsContact O-CB 3.25Å; D213-S217 WeakPolarHBondContact O-CB 3.49Å; D213-S217 PolarHBondContact O-N 2.85Å; D213-S217 PolarHBondContact O-OG 2.87Å; D213-A225 HydrophobicContact CB-CB 4.44Å; D213-A225 PolarHBondContact N-O 2.83Å; D213-R227 HydrophobicContact CB-CB 4.44Å; D213-R227 HydrophobicContact CB-CG 3.98Å
214	P	95.8	Very high	93.6	Very high	80 Å²	80	48 Å²	48	52%	0.519	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-28.3	-177.1	-15.4	28.1	0	0	0	113.3	M212	M212-P214 HydrophobicContact CE-CB 3.92Å; M212-P214 HydrophobicContact CE-CG 3.8Å; M212-P214 WeakPolarHBondContact O-CD 3.25Å
215	E	96.4	Very high	94.3	Very high	190 Å²	190	44.4 Å²	44.4	89%	0.888	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-29.7	-175.6	-61.3	-174.8	174.6	0	0	111.9	D213	D213-E215 VanDerWaalsContact C-N 3.26Å; D213-E215 PolarHBondContact O-N 3.09Å; D213-E215 PolarHBondContact OD1-N 3.44Å
216	A	97.3	Very high	94.9	Very high	40 Å²	40	44.4 Å²	44.4	33%	0.331	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-12.7	177.9	0	0	0	0	0	113.8	D213 A225	D213-A216 HydrophobicContact CB-CB 4.16Å; D213-A216 PolarHBondContact O-N 3.48Å; D213-A216 PolarHBondContact OD1-N 3.19Å; A216-A225 HydrophobicContact CB-CB 3.58Å
217	S	97.8	Very high	95.2	Very high	23 Å²	23	46 Å²	46	16%	0.161	25%	0.248	C	C	.	.			trans	-84.2	145.8	179.8	-63	0	0	0	0	112.3	D213 A225	D213-S217 VanDerWaalsContact O-CB 3.25Å; D213-S217 WeakPolarHBondContact O-CB 3.49Å; D213-S217 PolarHBondContact O-N 2.85Å; D213-S217 PolarHBondContact O-OG 2.87Å; S217-A225 PolarHBondContact OG-N 2.78Å; S217-A225 PolarHBondContact OG-O 2.85Å
218	D	95.6	Very high	95.3	Very high	54 Å²	54	50 Å²	50	29%	0.289	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-131.9	81.7	168.3	-173.2	-15.3	0	0	0	108.7	S220 R221 G222 I223	D218-S220 PolarHBondContact O-N 2.88Å; D218-S220 WeakPolarHBondContact OD1-CB 3.47Å; D218-S220 PolarHBondContact OD1-N 2.77Å; D218-S220 PolarHBondContact OD1-OG 2.9Å; D218-R221 HydrophobicContact CB-CB 4.44Å; D218-R221 CarbonylContact O-C 3.52Å; D218-R221 PolarHBondContact O-N 2.69Å; D218-R221 PolarHBondContact OD1-N 2.82Å; D218-R221 WeakPolarHBondContact OD2-CD 3.33Å; D218-R221 WeakPolarHBondContact OD2-CG 3.06Å; D218-G222 PolarHBondContact O-N 2.68Å; D218-I223 CarbonylContact C-O 3.55Å; D218-I223 VanDerWaalsContact C-O 3.29Å; D218-I223 HydrophobicContact CB-CB 4.24Å; D218-I223 HydrophobicContact CB-CD1 4.49Å; D218-I223 PolarHBondContact N-O 2.95Å; D218-I223 PolarHBondContact O-N 2.81Å
219	L	93.1	Very high	95.5	Very high	74 Å²	74	50 Å²	50	39%	0.387	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-61.8	-28.3	-176.9	-54.8	-177.3	0	0	0	112	D124 M212 R221 G222 L224	D124-L219 HydrophobicContact CB-CD1 4.39Å; D124-L219 HydrophobicContact CB-CD2 4.07Å; M212-L219 HydrophobicContact SD-CD1 4.23Å; M212-L219 HydrophobicContact SD-CD2 4.23Å; L219-R221 PolarHBondContact O-N 2.82Å; L219-G222 PolarHBondContact O-N 2.79Å; L219-L224 HydrophobicContact CD2-CB 4.49Å; L219-L224 HydrophobicContact CD2-CD1 4.06Å
220	S	90.5	Very high	95.5	Very high	114 Å²	114	50 Å²	50	80%	0.797	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-64.1	-23.8	176.1	80.5	0	0	0	0	112.8	D218	D218-S220 PolarHBondContact O-N 2.88Å; D218-S220 WeakPolarHBondContact OD1-CB 3.47Å; D218-S220 PolarHBondContact OD1-N 2.77Å; D218-S220 PolarHBondContact OD1-OG 2.9Å
221	R	89.1	Confident	95.5	Very high	183 Å²	183	53.8 Å²	53.8	69%	0.691	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-104.3	7.1	174.5	-63.2	178.6	67.1	-163.1	-6.8	112.8	D218 L219 I223	D218-R221 HydrophobicContact CB-CB 4.44Å; D218-R221 CarbonylContact O-C 3.52Å; D218-R221 PolarHBondContact O-N 2.69Å; D218-R221 PolarHBondContact OD1-N 2.82Å; D218-R221 WeakPolarHBondContact OD2-CD 3.33Å; D218-R221 WeakPolarHBondContact OD2-CG 3.06Å; L219-R221 PolarHBondContact O-N 2.82Å; R221-I223 HydrophobicContact CB-CD1 4.11Å; R221-I223 HydrophobicContact CB-CG1 4.13Å; R221-I223 PolarHBondContact O-N 2.85Å
222	G	86.3	Confident	95.5	Very high	33 Å²	33	59.2 Å²	59.2	34%	0.34	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	16.6	-175.9	0	0	0	0	0	114.5	R154 D218 L219	R154-G222 PolarHBondContact NH1-O 2.87Å; D218-G222 PolarHBondContact O-N 2.68Å; L219-G222 PolarHBondContact O-N 2.79Å
223	I	92.9	Very high	95.5	Very high	50 Å²	50	58.4 Å²	58.4	26%	0.256	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-90.3	108.9	179	-58.1	173.6	0	0	0	108.2	I166 D218 R221	I166-I223 HydrophobicContact CD1-CG2 4.2Å; I166-I223 HydrophobicContact CG2-CG2 4.39Å; D218-I223 CarbonylContact C-O 3.55Å; D218-I223 VanDerWaalsContact C-O 3.29Å; D218-I223 HydrophobicContact CB-CB 4.24Å; D218-I223 HydrophobicContact CB-CD1 4.49Å; D218-I223 PolarHBondContact N-O 2.95Å; D218-I223 PolarHBondContact O-N 2.81Å; R221-I223 HydrophobicContact CB-CD1 4.11Å; R221-I223 HydrophobicContact CB-CG1 4.13Å; R221-I223 PolarHBondContact O-N 2.85Å
224	L	96.7	Very high	95.5	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	33%	0.334	C	S	.	.			trans	-107.7	102.9	176.5	177.8	51.7	0	0	0	109.4	D124 K152 I161 N167 M212 L219 L226	D124-L224 HydrophobicContact CB-CD1 3.71Å; D124-L224 HydrophobicContact CB-CD2 3.84Å; D124-L224 HydrophobicContact CB-CG 4.43Å; K152-L224 HydrophobicContact CD-CD2 4.01Å; I161-L224 HydrophobicContact CD1-CB 4.46Å; I161-L224 HydrophobicContact CD1-CD2 3.38Å; I161-L224 HydrophobicContact CD1-CG 3.96Å; N167-L224 PolarHBondContact ND2-O 3.31Å; M212-L224 HydrophobicContact CB-CD1 3.92Å; M212-L224 HydrophobicContact CG-CD1 3.45Å; M212-L224 VanDerWaalsContact CG-CD1 3.45Å; M212-L224 HydrophobicContact SD-CD1 3.83Å; L219-L224 HydrophobicContact CD2-CB 4.49Å; L219-L224 HydrophobicContact CD2-CD1 4.06Å; L224-L226 HydrophobicContact CD1-CD2 4.48Å; L224-L226 HydrophobicContact CG-CD2 4.21Å
225	A	98.1	Very high	95.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.309	C	S	.	.			trans	-86.7	130.2	177.2	0	0	0	0	0	109.7	I166 D213 A216 S217	I166-A225 HydrophobicContact CD1-CB 3.8Å; I166-A225 HydrophobicContact CG1-CB 4.4Å; D213-A225 HydrophobicContact CB-CB 4.44Å; D213-A225 PolarHBondContact N-O 2.83Å; A216-A225 HydrophobicContact CB-CB 3.58Å; S217-A225 PolarHBondContact OG-N 2.78Å; S217-A225 PolarHBondContact OG-O 2.85Å
226	L	98.1	Very high	95.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	155	-178	-59.9	168.8	0	0	0	110.7	I123 L150 I161 L162 N167 R170 V172 I210 E211 L224	I123-L226 HydrophobicContact CG2-CD2 4.15Å; L150-L226 HydrophobicContact CD2-CD1 3.74Å; L150-L226 HydrophobicContact CD2-CD2 4.37Å; I161-L226 HydrophobicContact CD1-CD1 4.01Å; I161-L226 HydrophobicContact CG1-CD1 4.2Å; L162-L226 HydrophobicContact CD2-CD1 3.73Å; L162-L226 HydrophobicContact CG-CD1 4.35Å; N167-L226 PolarHBondContact OD1-N 3.34Å; R170-L226 VanDerWaalsContact CZ-O 3.26Å; R170-L226 VanDerWaalsContact NH1-C 3.31Å; R170-L226 PolarHBondContact NH1-O 2.93Å; V172-L226 HydrophobicContact CB-CB 4.43Å; V172-L226 HydrophobicContact CG1-CB 3.84Å; V172-L226 HydrophobicContact CG2-CB 4.36Å; V172-L226 WeakPolarHBondContact CG2-O 3.29Å; I210-L226 HydrophobicContact CG2-CB 4.05Å; I210-L226 HydrophobicContact CG2-CD1 4.41Å; I210-L226 HydrophobicContact CG2-CD2 4.4Å; E211-L226 CarbonylContact O-C 3.55Å; E211-L226 VanDerWaalsContact O-CA 3.3Å; E211-L226 WeakPolarHBondContact O-CA 3.28Å; L224-L226 HydrophobicContact CD1-CD2 4.48Å; L224-L226 HydrophobicContact CG-CD2 4.21Å
227	R	97.2	Very high	95.3	Very high	69 Å²	69	49.8 Å²	49.8	26%	0.26	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	149.6	174.7	57.2	175.4	-171.6	175.3	13.1	110.6	I210 E211 D213 V229	I210-R227 WeakPolarHBondContact CA-O 3.1Å; E211-R227 HydrophobicContact CG-CG 4.14Å; E211-R227 PolarHBondContact N-O 2.9Å; E211-R227 PolarHBondContact O-N 3.46Å; E211-R227 IonicContact OE1-CZ 3.91Å; E211-R227 IonicContact OE1-NE 2.75Å; E211-R227 PolarHBondContact OE1-NE 2.84Å; E211-R227 IonicContact OE1-NH2 3.58Å; E211-R227 PolarHBondContact OE1-NH2 2.94Å; D213-R227 HydrophobicContact CB-CB 4.44Å; D213-R227 HydrophobicContact CB-CG 3.98Å; R227-V229 HydrophobicContact CG-CG1 3.88Å
228	D	96.2	Very high	94.8	Very high	86 Å²	86	54.2 Å²	54.2	46%	0.46	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	120.8	168.3	-179.1	8.8	0	0	0	109.6	L209 A230	L209-D228 PolarHBondContact N-OD1 3.19Å; L209-D228 CarbonylContact O-C 3.54Å; L209-D228 WeakPolarHBondContact O-CA 3.41Å; D228-A230 WeakPolarHBondContact OD1-CB 3.19Å; D228-A230 PolarHBondContact OD1-N 3.12Å
229	V	97.3	Very high	94.2	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.03	28%	0.284	C	S	.	.			trans	-113.6	12.2	-179.2	-62.7	0	0	0	0	112.6	L209 E211 R227 A231 E232 A233	L209-V229 HydrophobicContact CB-CG2 4.21Å; L209-V229 HydrophobicContact CD2-CG2 3.95Å; L209-V229 HydrophobicContact CG-CG2 3.94Å; L209-V229 WeakPolarHBondContact O-CG2 3.31Å; L209-V229 PolarHBondContact O-N 3.24Å; E211-V229 HydrophobicContact CG-CG1 4.02Å; E211-V229 HydrophobicContact CG-CG2 3.87Å; R227-V229 HydrophobicContact CG-CG1 3.88Å; V229-A231 VanDerWaalsContact C-N 3.29Å; V229-A231 PolarHBondContact O-N 3.48Å; V229-E232 PolarHBondContact O-N 2.73Å; V229-E232 VanDerWaalsContact O-N 3.13Å; V229-A233 VanDerWaalsContact O-CB 3.31Å; V229-A233 WeakPolarHBondContact O-CB 3.49Å; V229-A233 PolarHBondContact O-N 3.31Å
230	A	96.8	Very high	93.8	Very high	1 Å²	1	49 Å²	49	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-55.2	-42.6	-174.2	0	0	0	0	0	113.8	D207 L209 D228 G234 V235 S236	D207-A230 VanDerWaalsContact O-CB 3.29Å; D207-A230 WeakPolarHBondContact O-CB 3.38Å; L209-A230 HydrophobicContact CB-CB 3.96Å; D228-A230 WeakPolarHBondContact OD1-CB 3.19Å; D228-A230 PolarHBondContact OD1-N 3.12Å; A230-G234 PolarHBondContact O-N 3.44Å; A230-V235 HydrophobicContact CB-CG2 4.01Å; A230-V235 PolarHBondContact O-N 2.78Å; A230-S236 PolarHBondContact O-N 3.1Å
231	A	96.6	Very high	93.3	Very high	78 Å²	78	43.6 Å²	43.6	65%	0.645	23%	0.229	S	C	*	.	H	α-helix	trans	-68.9	-41.5	179.6	0	0	0	0	0	112.2	V229 G234 S236	V229-A231 VanDerWaalsContact C-N 3.29Å; V229-A231 PolarHBondContact O-N 3.48Å; A231-G234 PolarHBondContact O-N 3.17Å; A231-S236 WeakPolarHBondContact CA-OG 3.45Å
232	E	97.4	Very high	93.4	Very high	131 Å²	131	35.2 Å²	35.2	61%	0.612	20%	0.197	S	C	*	.	H	α-helix	trans	-65.7	-42.5	176.3	-178.2	-173.4	147.8	0	0	111.3	V229 G234	V229-E232 PolarHBondContact O-N 2.73Å; V229-E232 VanDerWaalsContact O-N 3.13Å; E232-G234 VanDerWaalsContact C-N 3.26Å; E232-G234 PolarHBondContact O-N 3.13Å
233	A	98.2	Very high	93.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-72.7	-17.9	178.3	0	0	0	0	0	112.6	L209 V229 V235 T276 F277	L209-A233 HydrophobicContact CD2-CB 3.65Å; V229-A233 VanDerWaalsContact O-CB 3.31Å; V229-A233 WeakPolarHBondContact O-CB 3.49Å; V229-A233 PolarHBondContact O-N 3.31Å; A233-V235 HydrophobicContact CB-CG2 4.41Å; A233-T276 CarbonylContact O-C 3.49Å; A233-T276 WeakPolarHBondContact O-CA 3.48Å; A233-F277 HydrophobicContact CB-CD2 4.15Å; A233-F277 HydrophobicContact CB-CE2 4.41Å; A233-F277 WeakPolarHBondContact O-CD2 3.2Å; A233-F277 PolarHBondContact O-N 2.93Å
234	G	97.9	Very high	93.8	Very high	32 Å²	32	31.3 Å²	31.3	33%	0.33	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	19.3	178.4	0	0	0	0	0	114.8	A230 A231 E232	A230-G234 PolarHBondContact O-N 3.44Å; A231-G234 PolarHBondContact O-N 3.17Å; E232-G234 VanDerWaalsContact C-N 3.26Å; E232-G234 PolarHBondContact O-N 3.13Å
235	V	96.8	Very high	93.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.			trans	-106.3	-1.9	179.8	-58.3	0	0	0	0	113.6	Y195 L209 A230 A233 K237 F269 F277	Y195-V235 HydrophobicContact CD2-CG2 4.22Å; Y195-V235 HydrophobicContact CE2-CB 4.16Å; Y195-V235 HydrophobicContact CE2-CG2 4.19Å; L209-V235 HydrophobicContact CB-CG2 4.05Å; L209-V235 HydrophobicContact CD2-CG2 3.96Å; A230-V235 HydrophobicContact CB-CG2 4.01Å; A230-V235 PolarHBondContact O-N 2.78Å; A233-V235 HydrophobicContact CB-CG2 4.41Å; V235-K237 VanDerWaalsContact C-N 3.28Å; V235-K237 PolarHBondContact O-N 3.44Å; V235-F269 HydrophobicContact CB-CD2 4.43Å; V235-F269 HydrophobicContact CB-CE1 4.34Å; V235-F269 HydrophobicContact CB-CE2 4.26Å; V235-F269 HydrophobicContact CB-CZ 4.21Å; V235-F269 HydrophobicContact CG1-CB 4.25Å; V235-F269 HydrophobicContact CG1-CD1 4.01Å; V235-F269 HydrophobicContact CG1-CD2 4.1Å; V235-F269 HydrophobicContact CG1-CE1 4.34Å; V235-F269 HydrophobicContact CG1-CE2 4.42Å; V235-F269 HydrophobicContact CG1-CG 3.87Å; V235-F277 HydrophobicContact CG1-CB 3.77Å; V235-F277 HydrophobicContact CG1-CD2 3.54Å; V235-F277 HydrophobicContact CG1-CE2 4.25Å; V235-F277 HydrophobicContact CG1-CG 3.69Å
236	S	94.6	Very high	93.8	Very high	39 Å²	39	31.3 Å²	31.3	27%	0.273	17%	0.169	S	C	.	.			trans	-69	79.6	177.5	64.4	0	0	0	0	111.8	A230 A231	A230-S236 PolarHBondContact O-N 3.1Å; A231-S236 WeakPolarHBondContact CA-OG 3.45Å
237	K	93.2	Very high	93.7	Very high	72 Å²	72	31.3 Å²	31.3	31%	0.313	17%	0.169	S	C	.	.			trans	-107.1	163.2	179.2	-65.1	-66.2	-172.4	156.6	0	111	P206 D207 V235 F267 F269 D279	P206-K237 CarbonylContact C-O 3.54Å; P206-K237 VanDerWaalsContact CA-O 3.23Å; P206-K237 WeakPolarHBondContact CA-O 3.37Å; D207-K237 PolarHBondContact N-O 2.76Å; V235-K237 VanDerWaalsContact C-N 3.28Å; V235-K237 PolarHBondContact O-N 3.44Å; K237-F267 HydrophobicContact CB-CD2 4.09Å; K237-F267 HydrophobicContact CB-CE1 4.47Å; K237-F267 HydrophobicContact CB-CE2 3.28Å; K237-F267 HydrophobicContact CB-CZ 3.5Å; K237-F267 HydrophobicContact CD-CZ 4.38Å; K237-F267 HydrophobicContact CG-CD2 4.22Å; K237-F267 HydrophobicContact CG-CE1 4.41Å; K237-F267 HydrophobicContact CG-CE2 3.79Å; K237-F267 HydrophobicContact CG-CZ 3.87Å; K237-F269 HydrophobicContact CB-CZ 4.3Å; K237-F269 HydrophobicContact CG-CE1 3.73Å; K237-F269 HydrophobicContact CG-CZ 3.52Å; K237-D279 IonicContact NZ-OD2 3.39Å
238	Y	89.1	Confident	93.7	Very high	116 Å²	116	28.3 Å²	28.3	46%	0.455	16%	0.159	S	C	.	.			trans	-119	89.2	-176.4	-58.5	-88.2	0	0	0	110.2	A200 G202 D203 P206	A200-Y238 HydrophobicContact CB-CD1 4.35Å; G202-Y238 WeakPolarHBondContact O-CB 3.32Å; D203-Y238 VanDerWaalsContact C-CD1 3.45Å; D203-Y238 HydrophobicContact CB-CE1 4.44Å; D203-Y238 WeakPolarHBondContact O-CE1 3.17Å; P206-Y238 HydrophobicContact CB-CD1 3.98Å; P206-Y238 HydrophobicContact CB-CE1 3.57Å; P206-Y238 HydrophobicContact CB-CE2 4.47Å; P206-Y238 HydrophobicContact CG-CE1 4.01Å
239	T	82.5	Confident	93.7	Very high	15 Å²	15	24.3 Å²	24.3	9%	0.092	14%	0.137	C	C	.	.	S	Bend	trans	-138.6	-177.8	172.9	46.1	0	0	0	0	109.5	A200 N261 F267	A200-T239 VanDerWaalsContact CB-O 3.24Å; A200-T239 WeakPolarHBondContact CB-O 3.35Å; A200-T239 PolarHBondContact N-O 2.92Å; T239-N261 VanDerWaalsContact CB-OD1 3.3Å; T239-N261 WeakPolarHBondContact CB-OD1 3.09Å; T239-N261 HydrophobicContact CG2-CB 4.37Å; T239-N261 VanDerWaalsContact OG1-CG 3.29Å; T239-N261 PolarHBondContact OG1-OD1 2.68Å; T239-F267 HydrophobicContact CG2-CE1 4.09Å; T239-F267 HydrophobicContact CG2-CE2 3.74Å; T239-F267 HydrophobicContact CG2-CZ 3.25Å; T239-F267 WeakPolarHBondContact OG1-CE2 3.39Å
240	A	83.8	Confident	93.6	Very high	4 Å²	4	25.5 Å²	25.5	3%	0.033	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	80.8	163.2	0	0	0	0	0	109.1	Y199 R242 E262	Y199-A240 HydrophobicContact CD1-CB 4.07Å; Y199-A240 HydrophobicContact CD2-CB 3.42Å; Y199-A240 VanDerWaalsContact CD2-CB 3.42Å; Y199-A240 HydrophobicContact CE1-CB 3.97Å; Y199-A240 HydrophobicContact CE2-CB 3.3Å; Y199-A240 HydrophobicContact CG-CB 3.82Å; A240-R242 WeakPolarHBondContact O-CG 3.42Å; A240-E262 HydrophobicContact CB-CB 3.9Å; A240-E262 HydrophobicContact CB-CG 4.38Å; A240-E262 WeakPolarHBondContact CB-O 3.43Å; A240-E262 PolarHBondContact O-N 3.32Å
241	G	80.5	Confident	93.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	138.3	-178.3	0	0	0	0	0	112.2	R179 N198 N261	R179-G241 WeakPolarHBondContact CB-O 3.21Å; N198-G241 PolarHBondContact O-N 3.33Å; G241-N261 WeakPolarHBondContact CA-OD1 3.08Å; G241-N261 PolarHBondContact N-OD1 2.92Å
242	R	91.1	Very high	93.4	Very high	8 Å²	8	29.3 Å²	29.3	3%	0.03	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	-63.1	-169.3	-69.5	-74.4	-170.7	-176.7	0.3	111.3	S180 A240 D260 E262 G293 Y484	S180-R242 WeakPolarHBondContact CB-O 3.47Å; S180-R242 PolarHBondContact OG-O 3.45Å; A240-R242 WeakPolarHBondContact O-CG 3.42Å; R242-D260 PolarHBondContact N-O 3.1Å; R242-E262 HydrophobicContact CG-CB 4.05Å; R242-E262 IonicContact CZ-OE2 2.81Å; R242-E262 IonicContact NE-OE2 3.96Å; R242-E262 PolarHBondContact NE-OE2 2.91Å; R242-E262 IonicContact NH2-OE2 3.46Å; R242-E262 PolarHBondContact NH2-OE2 2.98Å; R242-G293 VanDerWaalsContact CB-O 3.31Å; R242-G293 WeakPolarHBondContact CB-O 3.45Å; R242-Y484 HydrophobicContact CB-CD2 4.21Å; R242-Y484 HydrophobicContact CB-CE2 4.49Å; R242-Y484 PolarHBondContact NH1-OH 3.26Å; R242-Y484 WeakPolarHBondContact O-CD2 3.3Å
243	G	92.7	Very high	93.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	131	176.3	0	0	0	0	0	110.2	C259 D260 R294 G483	G243-C259 CarbonylContact O-C 3.5Å; G243-C259 VanDerWaalsContact O-CA 3.25Å; G243-C259 WeakPolarHBondContact O-CA 3.34Å; G243-D260 WeakPolarHBondContact CA-OD1 3.42Å; G243-D260 PolarHBondContact N-O 2.88Å; G243-D260 PolarHBondContact N-OD1 2.63Å; G243-D260 PolarHBondContact O-N 2.85Å; G243-R294 WeakPolarHBondContact CA-O 3.21Å; G243-R294 PolarHBondContact N-O 3.4Å; G243-R294 VanDerWaalsContact N-O 3.13Å; G243-G483 WeakPolarHBondContact CA-O 3.36Å
244	V	95.6	Very high	93.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.1	171.7	-176.8	0	0	0	0	109.5	A182 Y195 A197 V246 I257 F258 C259 G481 G483	A182-V244 HydrophobicContact CB-CB 4.09Å; A182-V244 HydrophobicContact CB-CG1 3.43Å; A182-V244 VanDerWaalsContact CB-CG1 3.43Å; Y195-V244 HydrophobicContact CD1-CG1 3.84Å; Y195-V244 HydrophobicContact CD1-CG2 4.1Å; Y195-V244 HydrophobicContact CE1-CG1 4.06Å; Y195-V244 HydrophobicContact CE1-CG2 3.78Å; A197-V244 HydrophobicContact CB-CG2 3.96Å; V244-V246 HydrophobicContact CG1-CG2 4.46Å; V244-I257 HydrophobicContact CG1-CG2 3.76Å; V244-F258 WeakPolarHBondContact CA-O 3.29Å; V244-C259 HydrophobicContact CG2-CB 4.42Å; V244-G481 CarbonylContact O-C 3.46Å; V244-G483 PolarHBondContact N-O 2.91Å; V244-G483 VanDerWaalsContact N-O 3.12Å; V244-G483 PolarHBondContact O-N 3.4Å; V244-G483 VanDerWaalsContact O-N 3.11Å
245	S	96.4	Very high	93.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.7	167	-71.6	0	0	0	0	112.5	F258 V296 G481	S245-F258 PolarHBondContact N-O 3.39Å; S245-F258 PolarHBondContact O-N 2.95Å; S245-V296 WeakPolarHBondContact OG-CG1 3.44Å; S245-V296 PolarHBondContact OG-O 2.85Å; S245-G481 VanDerWaalsContact CA-O 3.25Å; S245-G481 WeakPolarHBondContact CA-O 3.45Å; S245-G481 PolarHBondContact OG-O 3.04Å
246	V	97.6	Very high	93.3	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.5	-174.8	-177.6	0	0	0	0	109.9	A182 V184 V244 D256 I257	A182-V246 HydrophobicContact CB-CG2 3.68Å; V184-V246 HydrophobicContact CB-CG1 4.49Å; V184-V246 HydrophobicContact CG1-CG1 4.25Å; V184-V246 HydrophobicContact CG2-CG1 4.29Å; V184-V246 HydrophobicContact CG2-CG2 3.84Å; V244-V246 HydrophobicContact CG1-CG2 4.46Å; V246-D256 WeakPolarHBondContact CA-O 3.36Å; V246-I257 HydrophobicContact CG2-CG1 4.45Å
247	G	96.4	Very high	93.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.4	178.5	177.7	0	0	0	0	0	112.6	I249 D256	G247-I249 PolarHBondContact O-N 2.82Å; G247-D256 PolarHBondContact N-O 3.17Å; G247-D256 VanDerWaalsContact N-O 3.14Å; G247-D256 WeakPolarHBondContact O-CA 3.46Å; G247-D256 WeakPolarHBondContact O-CB 3.39Å; G247-D256 PolarHBondContact O-N 3.18Å
248	P	96.7	Very high	93.6	Very high	6 Å²	6	18.2 Å²	18.2	4%	0.039	10%	0.096	C	C	.	.			trans	-77.5	72.1	177.1	31.2	-33.5	0	0	0	110.9	S251 A254 V307 K463	P248-S251 CarbonylContact C-O 3.58Å; P248-S251 WeakPolarHBondContact CB-O 3.3Å; P248-A254 WeakPolarHBondContact CA-O 3.47Å; P248-V307 HydrophobicContact CG-CG2 4.49Å; P248-V307 WeakPolarHBondContact O-CG2 3.44Å; P248-K463 HydrophobicContact CG-CB 4.12Å; P248-K463 HydrophobicContact CG-CD 4.48Å
249	I	96.7	Very high	94	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	7%	0.074	C	C	.	.	S	Bend	trans	-76.2	-53.7	-173	-60.1	165.1	0	0	0	110.7	G247 D256 F258 L268 L298 V307 I309 Q323 F332	G247-I249 PolarHBondContact O-N 2.82Å; I249-D256 HydrophobicContact CB-CB 4.2Å; I249-D256 HydrophobicContact CD1-CB 4.38Å; I249-D256 HydrophobicContact CG1-CB 4.47Å; I249-D256 PolarHBondContact N-OD2 2.69Å; I249-D256 VanDerWaalsContact N-OD2 3.13Å; I249-F258 HydrophobicContact CD1-CB 3.7Å; I249-L268 HydrophobicContact CB-CD1 4.2Å; I249-L268 HydrophobicContact CD1-CD1 3.93Å; I249-L268 HydrophobicContact CG2-CD1 3.88Å; I249-L268 HydrophobicContact CG2-CD2 4.39Å; I249-L298 HydrophobicContact CD1-CD1 3.95Å; I249-L298 HydrophobicContact CD1-CD2 4.08Å; I249-L298 HydrophobicContact CG1-CD1 3.8Å; I249-L298 HydrophobicContact CG1-CD2 4.1Å; I249-V307 HydrophobicContact CG1-CG1 4.19Å; I249-I309 HydrophobicContact CG2-CD1 4.01Å; I249-I309 HydrophobicContact CG2-CG1 4.4Å; I249-Q323 PolarHBondContact O-NE2 3.03Å; I249-F332 HydrophobicContact CG2-CZ 3.82Å
250	L	96.2	Very high	94.6	Very high	30 Å²	30	12 Å²	12	16%	0.157	7%	0.07	C	C	.	.	S	Bend	trans	-105.5	-29.7	175.8	-63.7	-177.7	0	0	0	111.6	D256 L268 H270 A280 V330 F332	L250-D256 WeakPolarHBondContact CA-OD2 3.23Å; L250-D256 PolarHBondContact N-OD2 3.41Å; L250-L268 HydrophobicContact CD1-CD2 3.57Å; L250-L268 HydrophobicContact CD1-CG 3.8Å; L250-L268 HydrophobicContact CD2-CD2 4.01Å; L250-L268 HydrophobicContact CG-CD2 3.78Å; L250-L268 HydrophobicContact CG-CG 4.22Å; L250-H270 HydrophobicContact CD1-CB 3.95Å; L250-A280 HydrophobicContact CD1-CB 3.72Å; L250-V330 HydrophobicContact CD2-CB 3.82Å; L250-V330 HydrophobicContact CD2-CG1 3.42Å; L250-V330 VanDerWaalsContact CD2-CG1 3.42Å; L250-V330 HydrophobicContact CD2-CG2 4.47Å; L250-F332 HydrophobicContact CD2-CE2 3.9Å; L250-F332 HydrophobicContact CD2-CZ 4.38Å
251	S	94.6	Very high	95.1	Very high	18 Å²	18	11.8 Å²	11.8	13%	0.126	7%	0.068	C	C	.	.	S	Bend	trans	-75.5	151.5	174.3	-66.7	0	0	0	0	111	P248 S253 A254 D256 H270	P248-S251 CarbonylContact C-O 3.58Å; P248-S251 WeakPolarHBondContact CB-O 3.3Å; S251-S253 VanDerWaalsContact C-N 3.29Å; S251-S253 PolarHBondContact O-N 2.82Å; S251-A254 VanDerWaalsContact CB-O 3.29Å; S251-A254 WeakPolarHBondContact CB-O 3.33Å; S251-D256 WeakPolarHBondContact CB-OD2 3.25Å; S251-D256 PolarHBondContact N-OD2 3.06Å; S251-D256 PolarHBondContact OG-OD1 2.72Å; S251-D256 PolarHBondContact OG-OD2 2.82Å; S251-H270 PolarHBondContact OG-CE1 2.7Å; S251-H270 PolarHBondContact OG-ND1 2.94Å
252	N	92.6	Very high	95.5	Very high	141 Å²	141	12.8 Å²	12.8	75%	0.754	7%	0.073	S	C	*	.	S	Bend	trans	-70.4	-28.6	173.6	-70	-33.9	0	0	0	113	K463	N252-K463 PolarHBondContact O-NZ 3.05Å
253	S	96.4	Very high	95.3	Very high	26 Å²	26	17.8 Å²	17.8	18%	0.182	10%	0.1	C	C	.	.	S	Bend	trans	-147.4	-40	-174.6	62.9	0	0	0	0	114	S251 P509 G511	S251-S253 VanDerWaalsContact C-N 3.29Å; S251-S253 PolarHBondContact O-N 2.82Å; S253-P509 WeakPolarHBondContact O-CA 3.48Å; S253-G511 WeakPolarHBondContact OG-CA 3.42Å
254	A	97.7	Very high	95.1	Very high	15 Å²	15	18.4 Å²	18.4	12%	0.124	11%	0.106	C	C	.	.	S	Bend	trans	-61.6	146.5	-175.6	0	0	0	0	0	112.5	P248 S251 D256 N271 P509	P248-A254 WeakPolarHBondContact CA-O 3.47Å; S251-A254 VanDerWaalsContact CB-O 3.29Å; S251-A254 WeakPolarHBondContact CB-O 3.33Å; A254-D256 PolarHBondContact O-N 3.31Å; A254-D256 VanDerWaalsContact O-N 3.12Å; A254-N271 HydrophobicContact CB-CB 4.1Å; A254-P509 WeakPolarHBondContact CA-O 3.38Å
255	S	97.5	Very high	95.1	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.			trans	-67.6	106	177.8	-51.3	0	0	0	0	110.4	D185 N271 F277	D185-S255 PolarHBondContact O-OG 2.9Å; S255-N271 VanDerWaalsContact O-CB 3.31Å; S255-N271 WeakPolarHBondContact O-CB 3.35Å; S255-N271 PolarHBondContact O-ND2 3.38Å; S255-F277 WeakPolarHBondContact O-CE1 3.37Å
256	D	97.8	Very high	95.2	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	162.5	163.4	-55.8	-48.8	0	0	0	109.5	V246 G247 I249 L250 S251 A254 F269 H270 N271	V246-D256 WeakPolarHBondContact CA-O 3.36Å; G247-D256 PolarHBondContact N-O 3.17Å; G247-D256 VanDerWaalsContact N-O 3.14Å; G247-D256 WeakPolarHBondContact O-CA 3.46Å; G247-D256 WeakPolarHBondContact O-CB 3.39Å; G247-D256 PolarHBondContact O-N 3.18Å; I249-D256 HydrophobicContact CB-CB 4.2Å; I249-D256 HydrophobicContact CD1-CB 4.38Å; I249-D256 HydrophobicContact CG1-CB 4.47Å; I249-D256 PolarHBondContact N-OD2 2.69Å; I249-D256 VanDerWaalsContact N-OD2 3.13Å; L250-D256 WeakPolarHBondContact CA-OD2 3.23Å; L250-D256 PolarHBondContact N-OD2 3.41Å; S251-D256 WeakPolarHBondContact CB-OD2 3.25Å; S251-D256 PolarHBondContact N-OD2 3.06Å; S251-D256 PolarHBondContact OG-OD1 2.72Å; S251-D256 PolarHBondContact OG-OD2 2.82Å; A254-D256 PolarHBondContact O-N 3.31Å; A254-D256 VanDerWaalsContact O-N 3.12Å; D256-F269 WeakPolarHBondContact CA-O 2.95Å; D256-F269 WeakPolarHBondContact CB-O 3.28Å; D256-H270 WeakPolarHBondContact OD1-CA 3.42Å; D256-H270 IonicContact OD1-CE1 3.36Å; D256-H270 IonicContact OD1-CG 3.37Å; D256-H270 IonicContact OD1-ND1 3.79Å; D256-H270 PolarHBondContact OD1-ND1 3.12Å; D256-H270 IonicContact OD2-ND1 3.57Å; D256-N271 PolarHBondContact OD1-N 3.4Å
257	I	97.4	Very high	95.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122	179	-49.9	167.1	0	0	0	108.7	V184 Y195 V244 V246 L268 F269 F277	V184-I257 HydrophobicContact CG1-CD1 4.09Å; V184-I257 HydrophobicContact CG1-CG1 4.13Å; V184-I257 HydrophobicContact CG2-CD1 3.8Å; V184-I257 HydrophobicContact CG2-CG1 4.01Å; Y195-I257 HydrophobicContact CD1-CG2 4.16Å; Y195-I257 HydrophobicContact CD2-CD1 4.27Å; Y195-I257 HydrophobicContact CE1-CG2 4.15Å; Y195-I257 HydrophobicContact CG-CD1 4.31Å; V244-I257 HydrophobicContact CG1-CG2 3.76Å; V246-I257 HydrophobicContact CG2-CG1 4.45Å; I257-L268 CarbonylContact O-C 3.48Å; I257-L268 WeakPolarHBondContact O-CA 3.46Å; I257-F269 HydrophobicContact CB-CB 4.16Å; I257-F269 HydrophobicContact CB-CD2 4.11Å; I257-F269 HydrophobicContact CG2-CD2 4.33Å; I257-F269 PolarHBondContact N-O 2.88Å; I257-F269 PolarHBondContact O-N 2.83Å; I257-F277 HydrophobicContact CD1-CE1 4.11Å; I257-F277 HydrophobicContact CD1-CZ 4.04Å; I257-F277 HydrophobicContact CG1-CE1 4.16Å; I257-F277 HydrophobicContact CG1-CZ 4.45Å
258	F	97.1	Very high	95.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	129.1	165.8	-178.3	-97.8	0	0	0	109.3	V244 S245 I249 D260 N266 F267 L268 V286 V296 I309 Y311	V244-F258 WeakPolarHBondContact CA-O 3.29Å; S245-F258 PolarHBondContact N-O 3.39Å; S245-F258 PolarHBondContact O-N 2.95Å; I249-F258 HydrophobicContact CD1-CB 3.7Å; F258-D260 HydrophobicContact CE1-CB 3.88Å; F258-D260 HydrophobicContact CZ-CB 4.35Å; F258-N266 HydrophobicContact CE2-CB 4.21Å; F258-N266 HydrophobicContact CZ-CB 4.12Å; F258-F267 WeakPolarHBondContact CA-O 3.24Å; F258-F267 VanDerWaalsContact CD2-O 3.32Å; F258-F267 WeakPolarHBondContact CD2-O 3.36Å; F258-L268 HydrophobicContact CB-CD1 4.14Å; F258-L268 HydrophobicContact CD2-CB 4.18Å; F258-L268 HydrophobicContact CD2-CD1 4.22Å; F258-V286 HydrophobicContact CD2-CG2 4.38Å; F258-V286 HydrophobicContact CE2-CB 4.01Å; F258-V286 HydrophobicContact CE2-CG2 3.81Å; F258-V296 HydrophobicContact CD1-CB 4.44Å; F258-V296 HydrophobicContact CD1-CG1 4.47Å; F258-V296 HydrophobicContact CD1-CG2 3.74Å; F258-V296 HydrophobicContact CE1-CB 4.46Å; F258-V296 HydrophobicContact CE1-CG2 3.92Å; F258-I309 HydrophobicContact CD1-CG2 4.21Å; F258-I309 HydrophobicContact CD2-CD1 4.02Å; F258-I309 HydrophobicContact CE1-CG2 3.97Å; F258-I309 HydrophobicContact CE2-CD1 4.25Å; F258-I309 HydrophobicContact CG-CD1 4.36Å; F258-I309 HydrophobicContact CZ-CG2 4.25Å; F258-Y311 HydrophobicContact CE1-CD1 4.21Å; F258-Y311 HydrophobicContact CE1-CE1 4.48Å; F258-Y311 HydrophobicContact CZ-CD1 4.22Å; F258-Y311 HydrophobicContact CZ-CE1 4.04Å
259	C	95.9	Very high	95.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	111.3	177.7	-176.7	0	0	0	0	108.4	G243 V244 N261 N266 F267	G243-C259 CarbonylContact O-C 3.5Å; G243-C259 VanDerWaalsContact O-CA 3.25Å; G243-C259 WeakPolarHBondContact O-CA 3.34Å; V244-C259 HydrophobicContact CG2-CB 4.42Å; C259-N261 PolarHBondContact O-ND2 2.64Å; C259-N266 CarbonylContact O-C 3.44Å; C259-N266 VanDerWaalsContact O-CA 3.31Å; C259-N266 WeakPolarHBondContact O-CA 3.32Å; C259-N266 WeakPolarHBondContact O-CB 3.4Å; C259-F267 HydrophobicContact CB-CB 4.29Å; C259-F267 HydrophobicContact CB-CD2 4.45Å; C259-F267 PolarHBondContact N-O 3.22Å; C259-F267 PolarHBondContact O-N 3.38Å
260	D	95.5	Very high	95.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	139.6	169.5	79.1	18.3	0	0	0	110.1	R242 G243 F258 N266 G293 R294	R242-D260 PolarHBondContact N-O 3.1Å; G243-D260 WeakPolarHBondContact CA-OD1 3.42Å; G243-D260 PolarHBondContact N-O 2.88Å; G243-D260 PolarHBondContact N-OD1 2.63Å; G243-D260 PolarHBondContact O-N 2.85Å; F258-D260 HydrophobicContact CE1-CB 3.88Å; F258-D260 HydrophobicContact CZ-CB 4.35Å; D260-N266 VanDerWaalsContact CA-OD1 3.24Å; D260-N266 WeakPolarHBondContact CA-OD1 2.98Å; D260-N266 WeakPolarHBondContact CB-OD1 3.44Å; D260-G293 VanDerWaalsContact CG-C 3.46Å; D260-G293 WeakPolarHBondContact OD1-CA 3.16Å; D260-G293 WeakPolarHBondContact OD2-CA 3.35Å; D260-R294 VanDerWaalsContact CG-N 3.28Å; D260-R294 PolarHBondContact OD1-N 2.78Å; D260-R294 PolarHBondContact OD2-N 2.79Å
261	N	94.2	Very high	95.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	152.2	-164.7	-75.6	-57.5	0	0	0	111.5	T239 G241 C259 P265 N266 F267 H292 G293	T239-N261 VanDerWaalsContact CB-OD1 3.3Å; T239-N261 WeakPolarHBondContact CB-OD1 3.09Å; T239-N261 HydrophobicContact CG2-CB 4.37Å; T239-N261 VanDerWaalsContact OG1-CG 3.29Å; T239-N261 PolarHBondContact OG1-OD1 2.68Å; G241-N261 WeakPolarHBondContact CA-OD1 3.08Å; G241-N261 PolarHBondContact N-OD1 2.92Å; C259-N261 PolarHBondContact O-ND2 2.64Å; N261-P265 WeakPolarHBondContact CB-O 3.04Å; N261-P265 PolarHBondContact ND2-O 3.01Å; N261-N266 PolarHBondContact N-OD1 2.74Å; N261-N266 WeakPolarHBondContact ND2-CA 3.44Å; N261-F267 VanDerWaalsContact ND2-CD2 3.31Å; N261-F267 WeakPolarHBondContact ND2-CD2 3.38Å; N261-F267 WeakPolarHBondContact ND2-CE2 3.18Å; N261-H292 WeakPolarHBondContact O-CA 3.07Å; N261-G293 PolarHBondContact O-N 2.74Å
262	E	90.5	Very high	95.6	Very high	21 Å²	21	27.2 Å²	27.2	10%	0.098	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	143.2	165	173.5	164.7	-124.2	0	0	110.2	A240 R242 G264 H292 R294	A240-E262 HydrophobicContact CB-CB 3.9Å; A240-E262 HydrophobicContact CB-CG 4.38Å; A240-E262 WeakPolarHBondContact CB-O 3.43Å; A240-E262 PolarHBondContact O-N 3.32Å; R242-E262 HydrophobicContact CG-CB 4.05Å; R242-E262 IonicContact CZ-OE2 2.81Å; R242-E262 IonicContact NE-OE2 3.96Å; R242-E262 PolarHBondContact NE-OE2 2.91Å; R242-E262 IonicContact NH2-OE2 3.46Å; R242-E262 PolarHBondContact NH2-OE2 2.98Å; E262-G264 PolarHBondContact O-N 2.97Å; E262-H292 HydrophobicContact CG-CB 4.43Å; E262-R294 IonicContact OE1-CZ 2.69Å; E262-R294 IonicContact OE1-NH1 3.72Å; E262-R294 PolarHBondContact OE1-NH1 3.43Å; E262-R294 IonicContact OE1-NH2 3.57Å; E262-R294 PolarHBondContact OE1-NH2 3.44Å; E262-R294 IonicContact OE2-CZ 3.57Å; E262-R294 IonicContact OE2-NH1 3.71Å; E262-R294 PolarHBondContact OE2-NH1 3.16Å; E262-R294 IonicContact OE2-NH2 3.4Å
263	N	84.8	Confident	95.7	Very high	114 Å²	114	23.6 Å²	23.6	61%	0.61	15%	0.145	S	C	*	.	S	Bend	trans	58.3	28.9	176.7	-59	-37.4	0	0	0	114	Y199 H292	Y199-N263 PolarHBondContact OH-ND2 3.1Å; Y199-N263 VanDerWaalsContact OH-ND2 3.16Å; N263-H292 PolarHBondContact N-ND1 2.9Å; N263-H292 PolarHBondContact OD1-CE1 3.21Å; N263-H292 VanDerWaalsContact OD1-CE1 3.29Å
264	G	90.6	Very high	95.7	Very high	12 Å²	12	26.6 Å²	26.6	12%	0.124	16%	0.159	C	C	.	.	S	Bend	trans	-178.7	173.4	-179.2	0	0	0	0	0	111.9	E262	E262-G264 PolarHBondContact O-N 2.97Å
265	P	95.2	Very high	95.6	Very high	54 Å²	54	25.9 Å²	25.9	35%	0.351	15%	0.153	S	C	.	.			trans	-66.4	145.4	176.2	29.1	-33.9	0	0	0	111.9	N261 F267 D287 P289	N261-P265 WeakPolarHBondContact CB-O 3.04Å; N261-P265 PolarHBondContact ND2-O 3.01Å; P265-F267 HydrophobicContact CG-CE1 4.46Å; P265-D287 CarbonylContact C-O 3.58Å; P265-D287 WeakPolarHBondContact CA-O 3.37Å; P265-D287 HydrophobicContact CB-CB 4.07Å; P265-P289 HydrophobicContact CB-CB 4.14Å
266	N	97.2	Very high	95.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	16%	0.163	C	C	.	.			trans	-60.4	153.9	164.7	-56.6	-27.2	0	0	0	110.4	F258 C259 D260 N261 A281 V286 D287 Y311	F258-N266 HydrophobicContact CE2-CB 4.21Å; F258-N266 HydrophobicContact CZ-CB 4.12Å; C259-N266 CarbonylContact O-C 3.44Å; C259-N266 VanDerWaalsContact O-CA 3.31Å; C259-N266 WeakPolarHBondContact O-CA 3.32Å; C259-N266 WeakPolarHBondContact O-CB 3.4Å; D260-N266 VanDerWaalsContact CA-OD1 3.24Å; D260-N266 WeakPolarHBondContact CA-OD1 2.98Å; D260-N266 WeakPolarHBondContact CB-OD1 3.44Å; N261-N266 PolarHBondContact N-OD1 2.74Å; N261-N266 WeakPolarHBondContact ND2-CA 3.44Å; N266-A281 WeakPolarHBondContact O-CB 3.28Å; N266-V286 WeakPolarHBondContact CB-O 3.39Å; N266-V286 PolarHBondContact ND2-O 2.72Å; N266-V286 VanDerWaalsContact ND2-O 3.07Å; N266-D287 PolarHBondContact N-O 3.15Å; N266-Y311 PolarHBondContact ND2-OH 3.49Å
267	F	97	Very high	95.7	Very high	13 Å²	13	28 Å²	28	6%	0.057	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	147.7	173.3	-54.9	-41.2	0	0	0	111.6	K237 T239 F258 C259 N261 P265 F269 D279	K237-F267 HydrophobicContact CB-CD2 4.09Å; K237-F267 HydrophobicContact CB-CE1 4.47Å; K237-F267 HydrophobicContact CB-CE2 3.28Å; K237-F267 HydrophobicContact CB-CZ 3.5Å; K237-F267 HydrophobicContact CD-CZ 4.38Å; K237-F267 HydrophobicContact CG-CD2 4.22Å; K237-F267 HydrophobicContact CG-CE1 4.41Å; K237-F267 HydrophobicContact CG-CE2 3.79Å; K237-F267 HydrophobicContact CG-CZ 3.87Å; T239-F267 HydrophobicContact CG2-CE1 4.09Å; T239-F267 HydrophobicContact CG2-CE2 3.74Å; T239-F267 HydrophobicContact CG2-CZ 3.25Å; T239-F267 WeakPolarHBondContact OG1-CE2 3.39Å; F258-F267 WeakPolarHBondContact CA-O 3.24Å; F258-F267 VanDerWaalsContact CD2-O 3.32Å; F258-F267 WeakPolarHBondContact CD2-O 3.36Å; C259-F267 HydrophobicContact CB-CB 4.29Å; C259-F267 HydrophobicContact CB-CD2 4.45Å; C259-F267 PolarHBondContact N-O 3.22Å; C259-F267 PolarHBondContact O-N 3.38Å; N261-F267 VanDerWaalsContact ND2-CD2 3.31Å; N261-F267 WeakPolarHBondContact ND2-CD2 3.38Å; N261-F267 WeakPolarHBondContact ND2-CE2 3.18Å; P265-F267 HydrophobicContact CG-CE1 4.46Å; F267-F269 HydrophobicContact CB-CD2 4.18Å; F267-F269 HydrophobicContact CB-CE1 4.24Å; F267-F269 HydrophobicContact CB-CE2 3.71Å; F267-F269 HydrophobicContact CB-CZ 3.75Å; F267-F269 AromaticContact CD2-CE2 3.89Å; F267-F269 HydrophobicContact CD2-CE2 3.89Å; F267-F269 AromaticContact CD2-CZ 3.6Å; F267-F269 HydrophobicContact CD2-CZ 3.6Å; F267-F269 HydrophobicContact CE2-CZ 4.36Å; F267-F269 HydrophobicContact CG-CE1 4.41Å; F267-F269 HydrophobicContact CG-CE2 4.14Å; F267-F269 AromaticContact CG-CZ 3.81Å; F267-F269 HydrophobicContact CG-CZ 3.81Å; F267-D279 WeakPolarHBondContact CD1-OD2 3.17Å
268	L	97.8	Very high	95.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	89.7	168.9	177.7	53.8	0	0	0	107.1	I249 L250 I257 F258 H270 D279 A280 A281 A284 V286 F332	I249-L268 HydrophobicContact CB-CD1 4.2Å; I249-L268 HydrophobicContact CD1-CD1 3.93Å; I249-L268 HydrophobicContact CG2-CD1 3.88Å; I249-L268 HydrophobicContact CG2-CD2 4.39Å; L250-L268 HydrophobicContact CD1-CD2 3.57Å; L250-L268 HydrophobicContact CD1-CG 3.8Å; L250-L268 HydrophobicContact CD2-CD2 4.01Å; L250-L268 HydrophobicContact CG-CD2 3.78Å; L250-L268 HydrophobicContact CG-CG 4.22Å; I257-L268 CarbonylContact O-C 3.48Å; I257-L268 WeakPolarHBondContact O-CA 3.46Å; F258-L268 HydrophobicContact CB-CD1 4.14Å; F258-L268 HydrophobicContact CD2-CB 4.18Å; F258-L268 HydrophobicContact CD2-CD1 4.22Å; L268-H270 PolarHBondContact O-N 2.82Å; L268-D279 PolarHBondContact N-OD1 3.17Å; L268-A280 PolarHBondContact O-N 2.85Å; L268-A281 HydrophobicContact CB-CB 4.06Å; L268-A284 HydrophobicContact CD2-CB 4.04Å; L268-V286 HydrophobicContact CB-CG2 4.24Å; L268-V286 HydrophobicContact CD2-CG2 3.94Å; L268-F332 HydrophobicContact CD2-CE2 4.15Å
269	F	98.1	Very high	95.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	101.9	179.4	-62.5	-62	0	0	0	109.4	Y195 V235 K237 D256 I257 F267 F277 D279	Y195-F269 HydrophobicContact CE2-CE2 4.35Å; V235-F269 HydrophobicContact CB-CD2 4.43Å; V235-F269 HydrophobicContact CB-CE1 4.34Å; V235-F269 HydrophobicContact CB-CE2 4.26Å; V235-F269 HydrophobicContact CB-CZ 4.21Å; V235-F269 HydrophobicContact CG1-CB 4.25Å; V235-F269 HydrophobicContact CG1-CD1 4.01Å; V235-F269 HydrophobicContact CG1-CD2 4.1Å; V235-F269 HydrophobicContact CG1-CE1 4.34Å; V235-F269 HydrophobicContact CG1-CE2 4.42Å; V235-F269 HydrophobicContact CG1-CG 3.87Å; K237-F269 HydrophobicContact CB-CZ 4.3Å; K237-F269 HydrophobicContact CG-CE1 3.73Å; K237-F269 HydrophobicContact CG-CZ 3.52Å; D256-F269 WeakPolarHBondContact CA-O 2.95Å; D256-F269 WeakPolarHBondContact CB-O 3.28Å; I257-F269 HydrophobicContact CB-CB 4.16Å; I257-F269 HydrophobicContact CB-CD2 4.11Å; I257-F269 HydrophobicContact CG2-CD2 4.33Å; I257-F269 PolarHBondContact N-O 2.88Å; I257-F269 PolarHBondContact O-N 2.83Å; F267-F269 HydrophobicContact CB-CD2 4.18Å; F267-F269 HydrophobicContact CB-CE1 4.24Å; F267-F269 HydrophobicContact CB-CE2 3.71Å; F267-F269 HydrophobicContact CB-CZ 3.75Å; F267-F269 AromaticContact CD2-CE2 3.89Å; F267-F269 HydrophobicContact CD2-CE2 3.89Å; F267-F269 AromaticContact CD2-CZ 3.6Å; F267-F269 HydrophobicContact CD2-CZ 3.6Å; F267-F269 HydrophobicContact CE2-CZ 4.36Å; F267-F269 HydrophobicContact CG-CE1 4.41Å; F267-F269 HydrophobicContact CG-CE2 4.14Å; F267-F269 AromaticContact CG-CZ 3.81Å; F267-F269 HydrophobicContact CG-CZ 3.81Å; F269-F277 HydrophobicContact CB-CB 3.93Å; F269-F277 HydrophobicContact CB-CD1 3.7Å; F269-F277 HydrophobicContact CB-CG 4.06Å; F269-F277 HydrophobicContact CD1-CB 4.47Å; F269-F277 WeakPolarHBondContact O-CD1 3.46Å; F269-D279 HydrophobicContact CD1-CB 4.24Å; F269-D279 HydrophobicContact CE1-CB 4.27Å
270	H	98.2	Very high	95.8	Very high	57 Å²	57	34.6 Å²	34.6	26%	0.264	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	122.8	174.3	-176.8	37.6	0	0	0	110.4	L250 S251 D256 L268 Q272 F277 V278 A280	L250-H270 HydrophobicContact CD1-CB 3.95Å; S251-H270 PolarHBondContact OG-CE1 2.7Å; S251-H270 PolarHBondContact OG-ND1 2.94Å; D256-H270 WeakPolarHBondContact OD1-CA 3.42Å; D256-H270 IonicContact OD1-CE1 3.36Å; D256-H270 IonicContact OD1-CG 3.37Å; D256-H270 IonicContact OD1-ND1 3.79Å; D256-H270 PolarHBondContact OD1-ND1 3.12Å; D256-H270 IonicContact OD2-ND1 3.57Å; L268-H270 PolarHBondContact O-N 2.82Å; H270-Q272 PolarHBondContact O-N 2.9Å; H270-F277 CarbonylContact O-C 3.53Å; H270-F277 VanDerWaalsContact O-CA 3.26Å; H270-F277 WeakPolarHBondContact O-CA 3.27Å; H270-V278 HydrophobicContact CB-CG1 4.07Å; H270-V278 PolarHBondContact N-O 3.39Å; H270-V278 PolarHBondContact O-N 3.39Å; H270-A280 HydrophobicContact CB-CB 4.33Å
271	N	98.3	Very high	95.9	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.027	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	125	176	-169	-32.2	0	0	0	110.5	R186 A254 S255 D256 G273 G275 F277	R186-N271 PolarHBondContact O-ND2 2.82Å; A254-N271 HydrophobicContact CB-CB 4.1Å; S255-N271 VanDerWaalsContact O-CB 3.31Å; S255-N271 WeakPolarHBondContact O-CB 3.35Å; S255-N271 PolarHBondContact O-ND2 3.38Å; D256-N271 PolarHBondContact OD1-N 3.4Å; N271-G273 PolarHBondContact O-N 3Å; N271-G273 PolarHBondContact OD1-N 3.03Å; N271-G275 PolarHBondContact OD1-N 3.03Å; N271-F277 HydrophobicContact CB-CD1 4.04Å; N271-F277 HydrophobicContact CB-CE1 3.72Å; N271-F277 HydrophobicContact CB-CZ 4.42Å
272	Q	97.4	Very high	96	Very high	112 Å²	112	38 Å²	38	52%	0.523	23%	0.233	S	C	.	.			trans	-80.2	3.5	-177.6	-59.1	-177.7	51.6	0	0	113.1	H270 T276 F277 V278	H270-Q272 PolarHBondContact O-N 2.9Å; Q272-T276 PolarHBondContact N-O 3.24Å; Q272-T276 PolarHBondContact NE2-OG1 3.33Å; Q272-F277 PolarHBondContact NE2-O 3.14Å; Q272-V278 HydrophobicContact CG-CG1 4.35Å
273	G	95.4	Very high	96.2	Very high	66 Å²	66	41.1 Å²	41.1	68%	0.68	26%	0.257	S	S	*	.	S	Bend	trans	88.1	0.1	179.5	0	0	0	0	0	114.6	N271	N271-G273 PolarHBondContact O-N 3Å; N271-G273 PolarHBondContact OD1-N 3.03Å
274	N	96	Very high	96.8	Very high	88 Å²	88	35.8 Å²	35.8	47%	0.471	23%	0.229	S	C	.	.	S	Bend	trans	-120.6	14.5	175.4	65.8	-8	0	0	0	112	T276	N274-T276 VanDerWaalsContact C-N 3.27Å; N274-T276 PolarHBondContact O-N 3.31Å; N274-T276 PolarHBondContact OD1-N 2.89Å; N274-T276 VanDerWaalsContact OD1-N 3.07Å; N274-T276 PolarHBondContact OD1-OG1 3.02Å
275	G	96.2	Very high	97.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	74.6	8.5	-177.2	0	0	0	0	0	115.5	R186 N271 F277	R186-G275 PolarHBondContact NH1-O 2.79Å; R186-G275 VanDerWaalsContact O-CA 3.23Å; R186-G275 WeakPolarHBondContact O-CA 3.42Å; N271-G275 PolarHBondContact OD1-N 3.03Å; G275-F277 WeakPolarHBondContact O-CE2 3.33Å
276	T	98.5	Very high	97.2	Very high	34 Å²	34	34.3 Å²	34.3	21%	0.209	22%	0.223	C	C	.	.			trans	-98.8	158.3	163.8	75.3	0	0	0	0	110.6	A233 Q272 N274	A233-T276 CarbonylContact O-C 3.49Å; A233-T276 WeakPolarHBondContact O-CA 3.48Å; Q272-T276 PolarHBondContact N-O 3.24Å; Q272-T276 PolarHBondContact NE2-OG1 3.33Å; N274-T276 VanDerWaalsContact C-N 3.27Å; N274-T276 PolarHBondContact O-N 3.31Å; N274-T276 PolarHBondContact OD1-N 2.89Å; N274-T276 VanDerWaalsContact OD1-N 3.07Å; N274-T276 PolarHBondContact OD1-OG1 3.02Å
277	F	98.7	Very high	97.2	Very high	10 Å²	10	36.5 Å²	36.5	4%	0.044	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	154	-169.1	-64.3	-92	0	0	0	112.2	V184 R186 A233 V235 S255 I257 F269 H270 N271 Q272 G275	V184-F277 HydrophobicContact CG1-CZ 4.26Å; R186-F277 HydrophobicContact CB-CE2 3.98Å; R186-F277 HydrophobicContact CB-CZ 3.79Å; A233-F277 HydrophobicContact CB-CD2 4.15Å; A233-F277 HydrophobicContact CB-CE2 4.41Å; A233-F277 WeakPolarHBondContact O-CD2 3.2Å; A233-F277 PolarHBondContact O-N 2.93Å; V235-F277 HydrophobicContact CG1-CB 3.77Å; V235-F277 HydrophobicContact CG1-CD2 3.54Å; V235-F277 HydrophobicContact CG1-CE2 4.25Å; V235-F277 HydrophobicContact CG1-CG 3.69Å; S255-F277 WeakPolarHBondContact O-CE1 3.37Å; I257-F277 HydrophobicContact CD1-CE1 4.11Å; I257-F277 HydrophobicContact CD1-CZ 4.04Å; I257-F277 HydrophobicContact CG1-CE1 4.16Å; I257-F277 HydrophobicContact CG1-CZ 4.45Å; F269-F277 HydrophobicContact CB-CB 3.93Å; F269-F277 HydrophobicContact CB-CD1 3.7Å; F269-F277 HydrophobicContact CB-CG 4.06Å; F269-F277 HydrophobicContact CD1-CB 4.47Å; F269-F277 WeakPolarHBondContact O-CD1 3.46Å; H270-F277 CarbonylContact O-C 3.53Å; H270-F277 VanDerWaalsContact O-CA 3.26Å; H270-F277 WeakPolarHBondContact O-CA 3.27Å; N271-F277 HydrophobicContact CB-CD1 4.04Å; N271-F277 HydrophobicContact CB-CE1 3.72Å; N271-F277 HydrophobicContact CB-CZ 4.42Å; Q272-F277 PolarHBondContact NE2-O 3.14Å; G275-F277 WeakPolarHBondContact O-CE2 3.33Å
278	V	97.9	Very high	97.1	Very high	71 Å²	71	36.8 Å²	36.8	43%	0.43	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.2	166.6	63.8	0	0	0	0	108.9	H270 Q272 A280	H270-V278 HydrophobicContact CB-CG1 4.07Å; H270-V278 PolarHBondContact N-O 3.39Å; H270-V278 PolarHBondContact O-N 3.39Å; Q272-V278 HydrophobicContact CG-CG1 4.35Å; V278-A280 PolarHBondContact O-N 2.87Å
279	D	97.9	Very high	97	Very high	58 Å²	58	39.4 Å²	39.4	31%	0.31	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	118.4	175.5	-178.8	5.6	0	0	0	110	K237 F267 L268 F269 A281	K237-D279 IonicContact NZ-OD2 3.39Å; F267-D279 WeakPolarHBondContact CD1-OD2 3.17Å; L268-D279 PolarHBondContact N-OD1 3.17Å; F269-D279 HydrophobicContact CD1-CB 4.24Å; F269-D279 HydrophobicContact CE1-CB 4.27Å; D279-A281 WeakPolarHBondContact OD1-CB 3.24Å; D279-A281 PolarHBondContact OD1-N 3.12Å; D279-A281 VanDerWaalsContact OD1-N 3.08Å
280	A	97.2	Very high	96.8	Very high	11 Å²	11	46.9 Å²	46.9	9%	0.091	29%	0.288	C	S	.	.			trans	-113.6	2.9	-176.4	0	0	0	0	0	113.3	L250 L268 H270 V278 A282 S283 A284	L250-A280 HydrophobicContact CD1-CB 3.72Å; L268-A280 PolarHBondContact O-N 2.85Å; H270-A280 HydrophobicContact CB-CB 4.33Å; V278-A280 PolarHBondContact O-N 2.87Å; A280-A282 PolarHBondContact O-N 3.49Å; A280-S283 PolarHBondContact O-N 2.55Å; A280-S283 PolarHBondContact O-OG 2.8Å; A280-A284 WeakPolarHBondContact O-CB 3.45Å; A280-A284 PolarHBondContact O-N 3.04Å
281	A	97.6	Very high	96.7	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-54.1	-52.9	-169.5	0	0	0	0	0	113.4	N266 L268 D279 S283 A284 G285 V286 D287	N266-A281 WeakPolarHBondContact O-CB 3.28Å; L268-A281 HydrophobicContact CB-CB 4.06Å; D279-A281 WeakPolarHBondContact OD1-CB 3.24Å; D279-A281 PolarHBondContact OD1-N 3.12Å; D279-A281 VanDerWaalsContact OD1-N 3.08Å; A281-S283 VanDerWaalsContact C-N 3.31Å; A281-S283 PolarHBondContact O-N 3.11Å; A281-A284 CarbonylContact O-C 3.54Å; A281-A284 PolarHBondContact O-N 3.38Å; A281-G285 PolarHBondContact O-N 2.94Å; A281-V286 HydrophobicContact CB-CG2 4.24Å; A281-V286 PolarHBondContact O-N 3.47Å; A281-D287 HydrophobicContact CB-CB 3.92Å
282	A	96.4	Very high	96.6	Very high	71 Å²	71	48.9 Å²	48.9	59%	0.587	30%	0.297	S	S	*	.	H	α-helix	trans	-65.7	-34.2	180	0	0	0	0	0	112.5	A280 A284 G285 D287	A280-A282 PolarHBondContact O-N 3.49Å; A282-A284 VanDerWaalsContact C-N 3.34Å; A282-G285 PolarHBondContact O-N 2.9Å; A282-D287 HydrophobicContact CB-CB 4.28Å
283	S	94.8	Very high	96.5	Very high	86 Å²	86	43.5 Å²	43.5	60%	0.601	27%	0.272	S	S	*	.	H	α-helix	trans	-72.9	-30.8	179.1	76.8	0	0	0	0	112.4	A280 A281	A280-S283 PolarHBondContact O-N 2.55Å; A280-S283 PolarHBondContact O-OG 2.8Å; A281-S283 VanDerWaalsContact C-N 3.31Å; A281-S283 PolarHBondContact O-N 3.11Å
284	A	96.3	Very high	96.5	Very high	2 Å²	2	40.6 Å²	40.6	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-85.5	-19.6	176.1	0	0	0	0	0	112.9	L268 A280 A281 A282 V286 R331 F332	L268-A284 HydrophobicContact CD2-CB 4.04Å; A280-A284 WeakPolarHBondContact O-CB 3.45Å; A280-A284 PolarHBondContact O-N 3.04Å; A281-A284 CarbonylContact O-C 3.54Å; A281-A284 PolarHBondContact O-N 3.38Å; A282-A284 VanDerWaalsContact C-N 3.34Å; A284-V286 HydrophobicContact CB-CG2 4.35Å; A284-R331 CarbonylContact O-C 3.4Å; A284-R331 WeakPolarHBondContact O-CA 3.17Å; A284-F332 HydrophobicContact CB-CD2 4.02Å; A284-F332 HydrophobicContact CB-CE2 4.25Å; A284-F332 PolarHBondContact O-N 3.03Å
285	G	96.3	Very high	96.4	Very high	35 Å²	35	36.4 Å²	36.4	36%	0.361	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	88	27.8	177.3	0	0	0	0	0	115	A281 A282	A281-G285 PolarHBondContact O-N 2.94Å; A282-G285 PolarHBondContact O-N 2.9Å
286	V	97.4	Very high	96.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.219	C	C	.	.			trans	-121	9.7	-176.5	-62.6	0	0	0	0	113.6	F258 N266 L268 A281 A284 D288 I309 Y321 F332	F258-V286 HydrophobicContact CD2-CG2 4.38Å; F258-V286 HydrophobicContact CE2-CB 4.01Å; F258-V286 HydrophobicContact CE2-CG2 3.81Å; N266-V286 WeakPolarHBondContact CB-O 3.39Å; N266-V286 PolarHBondContact ND2-O 2.72Å; N266-V286 VanDerWaalsContact ND2-O 3.07Å; L268-V286 HydrophobicContact CB-CG2 4.24Å; L268-V286 HydrophobicContact CD2-CG2 3.94Å; A281-V286 HydrophobicContact CB-CG2 4.24Å; A281-V286 PolarHBondContact O-N 3.47Å; A284-V286 HydrophobicContact CB-CG2 4.35Å; V286-D288 VanDerWaalsContact C-N 3.3Å; V286-D288 PolarHBondContact O-N 2.83Å; V286-I309 HydrophobicContact CG1-CD1 4.47Å; V286-Y321 HydrophobicContact CG1-CD1 4.42Å; V286-Y321 HydrophobicContact CG1-CD2 4.33Å; V286-Y321 HydrophobicContact CG1-CG 4.28Å; V286-F332 HydrophobicContact CG1-CB 3.44Å; V286-F332 VanDerWaalsContact CG1-CB 3.44Å; V286-F332 HydrophobicContact CG1-CD1 4.42Å; V286-F332 HydrophobicContact CG1-CD2 3.5Å; V286-F332 HydrophobicContact CG1-CE2 4.36Å; V286-F332 HydrophobicContact CG1-CG 3.53Å
287	D	97.4	Very high	96.4	Very high	46 Å²	46	35 Å²	35	25%	0.246	21%	0.21	C	C	.	.			trans	-69	-22	-178.3	60	-33.6	0	0	0	114	P265 N266 A281 A282 P289	P265-D287 CarbonylContact C-O 3.58Å; P265-D287 WeakPolarHBondContact CA-O 3.37Å; P265-D287 HydrophobicContact CB-CB 4.07Å; N266-D287 PolarHBondContact N-O 3.15Å; A281-D287 HydrophobicContact CB-CB 3.92Å; A282-D287 HydrophobicContact CB-CB 4.28Å; D287-P289 VanDerWaalsContact C-N 3.33Å
288	D	96.5	Very high	96.4	Very high	20 Å²	20	35.7 Å²	35.7	11%	0.107	21%	0.214	C	C	.	.			trans	29	56.9	176.2	-154.8	9.5	0	0	0	115.1	V286 H290 Q291 Y311 N313 R319	V286-D288 VanDerWaalsContact C-N 3.3Å; V286-D288 PolarHBondContact O-N 2.83Å; D288-H290 PolarHBondContact O-N 2.94Å; D288-Q291 VanDerWaalsContact CG-CG 3.5Å; D288-Q291 PolarHBondContact O-N 3.37Å; D288-Q291 VanDerWaalsContact O-N 3.15Å; D288-Q291 VanDerWaalsContact OD1-CG 3.3Å; D288-Q291 WeakPolarHBondContact OD1-CG 3.41Å; D288-Q291 VanDerWaalsContact OD2-CG 3.3Å; D288-Q291 WeakPolarHBondContact OD2-CG 3.39Å; D288-Y311 WeakPolarHBondContact CB-OH 3.23Å; D288-Y311 PolarHBondContact OD2-OH 3.49Å; D288-Y311 VanDerWaalsContact OD2-OH 3.07Å; D288-N313 PolarHBondContact OD2-ND2 3.3Å; D288-N313 VanDerWaalsContact OD2-ND2 3.13Å; D288-R319 IonicContact OD1-NH2 3.67Å; D288-R319 PolarHBondContact OD1-NH2 2.96Å; D288-R319 IonicContact OD2-CZ 3.39Å; D288-R319 IonicContact OD2-NE 3.74Å; D288-R319 PolarHBondContact OD2-NE 2.78Å; D288-R319 IonicContact OD2-NH2 3.56Å; D288-R319 PolarHBondContact OD2-NH2 3.05Å; D288-R319 VanDerWaalsContact OD2-NH2 3.16Å
289	P	95.4	Very high	96.3	Very high	54 Å²	54	32.6 Å²	32.6	35%	0.351	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	0.1	-161.3	29.1	-38.6	0	0	0	115.9	P265 D287	P265-P289 HydrophobicContact CB-CB 4.14Å; D287-P289 VanDerWaalsContact C-N 3.33Å
290	H	94.2	Very high	96.3	Very high	158 Å²	158	30 Å²	30	73%	0.731	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.5	7.8	-175.2	-57.7	-42.7	0	0	0	112.4	D288	D288-H290 PolarHBondContact O-N 2.94Å
291	Q	95.7	Very high	96.3	Very high	42 Å²	42	29.6 Å²	29.6	20%	0.196	18%	0.178	C	C	.	.	S	Bend	trans	-116.5	175	177.5	-59.3	-57.7	-36	0	0	110.7	D288 N313	D288-Q291 VanDerWaalsContact CG-CG 3.5Å; D288-Q291 PolarHBondContact O-N 3.37Å; D288-Q291 VanDerWaalsContact O-N 3.15Å; D288-Q291 VanDerWaalsContact OD1-CG 3.3Å; D288-Q291 WeakPolarHBondContact OD1-CG 3.41Å; D288-Q291 VanDerWaalsContact OD2-CG 3.3Å; D288-Q291 WeakPolarHBondContact OD2-CG 3.39Å; Q291-N313 HydrophobicContact CB-CB 4.16Å; Q291-N313 WeakPolarHBondContact CB-ND2 3.42Å; Q291-N313 VanDerWaalsContact CB-OD1 3.24Å; Q291-N313 WeakPolarHBondContact CB-OD1 3.07Å
292	H	95.1	Very high	96.1	Very high	61 Å²	61	31 Å²	31	28%	0.282	19%	0.186	S	C	.	.			trans	-126	90.3	-175.6	-56.1	-86.3	0	0	0	108.1	N261 E262 N263 N313 W314	N261-H292 WeakPolarHBondContact O-CA 3.07Å; E262-H292 HydrophobicContact CG-CB 4.43Å; N263-H292 PolarHBondContact N-ND1 2.9Å; N263-H292 PolarHBondContact OD1-CE1 3.21Å; N263-H292 VanDerWaalsContact OD1-CE1 3.29Å; H292-N313 CarbonylContact O-C 3.29Å; H292-N313 WeakPolarHBondContact O-CA 3.39Å; H292-W314 HydrophobicContact CB-CB 4.06Å; H292-W314 WeakPolarHBondContact O-CB 3.28Å; H292-W314 PolarHBondContact O-N 2.98Å
293	G	95.2	Very high	96	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	153.3	179.6	0	0	0	0	0	113.4	R242 D260 N261 N313	R242-G293 VanDerWaalsContact CB-O 3.31Å; R242-G293 WeakPolarHBondContact CB-O 3.45Å; D260-G293 VanDerWaalsContact CG-C 3.46Å; D260-G293 WeakPolarHBondContact OD1-CA 3.16Å; D260-G293 WeakPolarHBondContact OD2-CA 3.35Å; N261-G293 PolarHBondContact O-N 2.74Å; G293-N313 PolarHBondContact N-OD1 3.23Å
294	R	95.3	Very high	95.9	Very high	5 Å²	5	26 Å²	26	2%	0.019	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	-92.9	-179.8	-66.2	-68.1	-174.4	-104	4.3	110.9	G243 D260 E262 G312 W314 V346 R347 Y484	G243-R294 WeakPolarHBondContact CA-O 3.21Å; G243-R294 PolarHBondContact N-O 3.4Å; G243-R294 VanDerWaalsContact N-O 3.13Å; D260-R294 VanDerWaalsContact CG-N 3.28Å; D260-R294 PolarHBondContact OD1-N 2.78Å; D260-R294 PolarHBondContact OD2-N 2.79Å; E262-R294 IonicContact OE1-CZ 2.69Å; E262-R294 IonicContact OE1-NH1 3.72Å; E262-R294 PolarHBondContact OE1-NH1 3.43Å; E262-R294 IonicContact OE1-NH2 3.57Å; E262-R294 PolarHBondContact OE1-NH2 3.44Å; E262-R294 IonicContact OE2-CZ 3.57Å; E262-R294 IonicContact OE2-NH1 3.71Å; E262-R294 PolarHBondContact OE2-NH1 3.16Å; E262-R294 IonicContact OE2-NH2 3.4Å; R294-G312 WeakPolarHBondContact CB-O 3.44Å; R294-G312 PolarHBondContact N-O 2.97Å; R294-G312 VanDerWaalsContact N-O 3.11Å; R294-W314 HydrophobicContact CG-CB 3.76Å; R294-W314 HydrophobicContact CG-CE3 4.36Å; R294-V346 HydrophobicContact CB-CG1 4.31Å; R294-V346 WeakPolarHBondContact CG-O 3.46Å; R294-R347 CarbonylContact C-O 3.43Å; R294-R347 VanDerWaalsContact NE-NH1 3.18Å; R294-Y484 PolarHBondContact O-N 3.04Å
295	G	94.8	Very high	95.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	136.3	-177.6	0	0	0	0	0	109.7	Y311 G312 R347 V349	G295-Y311 CarbonylContact O-C 3.54Å; G295-Y311 WeakPolarHBondContact O-CA 3.32Å; G295-Y311 WeakPolarHBondContact O-CB 3.49Å; G295-G312 PolarHBondContact O-N 2.84Å; G295-R347 WeakPolarHBondContact CA-O 3.45Å; G295-R347 PolarHBondContact N-O 2.81Å; G295-R347 VanDerWaalsContact N-O 3.08Å; G295-V349 WeakPolarHBondContact O-CG2 3.31Å
296	V	97.4	Very high	95.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	145.7	177.9	53.4	0	0	0	0	109.7	S245 F258 I309 V310 G483	S245-V296 WeakPolarHBondContact OG-CG1 3.44Å; S245-V296 PolarHBondContact OG-O 2.85Å; F258-V296 HydrophobicContact CD1-CB 4.44Å; F258-V296 HydrophobicContact CD1-CG1 4.47Å; F258-V296 HydrophobicContact CD1-CG2 3.74Å; F258-V296 HydrophobicContact CE1-CB 4.46Å; F258-V296 HydrophobicContact CE1-CG2 3.92Å; V296-I309 HydrophobicContact CG2-CG2 3.85Å; V296-V310 CarbonylContact C-O 3.41Å; V296-V310 VanDerWaalsContact CA-O 3.27Å; V296-V310 WeakPolarHBondContact CA-O 3.32Å; V296-V310 WeakPolarHBondContact CG2-O 3.49Å; V296-G483 VanDerWaalsContact N-CA 3.28Å; V296-G483 WeakPolarHBondContact O-CA 3.31Å; V296-G483 PolarHBondContact O-N 2.78Å
297	A	97.4	Very high	95.7	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.033	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	156.3	170	0	0	0	0	0	110.3	V310 A351	A297-V310 HydrophobicContact CB-CG1 3.82Å; A297-V310 PolarHBondContact N-O 3.18Å; A297-V310 PolarHBondContact O-N 3.49Å; A297-A351 HydrophobicContact CB-CB 3.95Å
298	L	97.5	Very high	95.7	Very high	25 Å²	25	26 Å²	26	13%	0.131	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	137.8	178	-56.1	178.5	0	0	0	110.2	I249 V307 I309 I477	I249-L298 HydrophobicContact CD1-CD1 3.95Å; I249-L298 HydrophobicContact CD1-CD2 4.08Å; I249-L298 HydrophobicContact CG1-CD1 3.8Å; I249-L298 HydrophobicContact CG1-CD2 4.1Å; L298-V307 HydrophobicContact CB-CG1 4.01Å; L298-V307 HydrophobicContact CD1-CG1 4.35Å; L298-V307 HydrophobicContact CD2-CG1 4.23Å; L298-V307 HydrophobicContact CG-CG1 4.43Å; L298-I309 HydrophobicContact CD2-CG1 3.92Å; L298-I477 HydrophobicContact CB-CD1 3.75Å; L298-I477 HydrophobicContact CD1-CD1 4.19Å
299	A	97.2	Very high	95.8	Very high	5 Å²	5	25 Å²	25	4%	0.041	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	176.5	175.1	0	0	0	0	0	111.4	F301 D308 L360	A299-F301 HydrophobicContact CB-CD1 4.45Å; A299-F301 HydrophobicContact CB-CD2 4.13Å; A299-F301 HydrophobicContact CB-CE1 4.12Å; A299-F301 HydrophobicContact CB-CE2 3.77Å; A299-F301 HydrophobicContact CB-CG 4.46Å; A299-F301 HydrophobicContact CB-CZ 3.76Å; A299-D308 PolarHBondContact N-O 2.84Å; A299-D308 WeakPolarHBondContact O-CA 3.05Å; A299-D308 VanDerWaalsContact O-CB 3.24Å; A299-D308 WeakPolarHBondContact O-CB 3.4Å; A299-D308 PolarHBondContact O-N 2.95Å; A299-L360 HydrophobicContact CB-CD1 3.51Å
300	D	97.1	Very high	96	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.016	11%	0.113	C	C	.	.			trans	-109.6	92.6	167	178.5	0.9	0	0	0	108.2	N302 R303 D304 G305 K306 L475	D300-N302 PolarHBondContact OD1-OD1 3.1Å; D300-R303 VanDerWaalsContact CG-CA 3.44Å; D300-R303 WeakPolarHBondContact OD1-CA 3.4Å; D300-R303 PolarHBondContact OD1-N 3.1Å; D300-R303 WeakPolarHBondContact OD2-CA 3.42Å; D300-D304 PolarHBondContact OD1-N 2.93Å; D300-D304 PolarHBondContact OD2-N 2.8Å; D300-G305 WeakPolarHBondContact OD2-CA 3.49Å; D300-G305 PolarHBondContact OD2-N 3.37Å; D300-K306 VanDerWaalsContact CB-O 3.32Å; D300-K306 WeakPolarHBondContact CB-O 3.33Å; D300-L475 HydrophobicContact CB-CB 3.86Å; D300-L475 HydrophobicContact CB-CD1 4.46Å; D300-L475 HydrophobicContact CB-CD2 4.13Å; D300-L475 HydrophobicContact CB-CG 4.38Å
301	F	97	Very high	96.1	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.018	8%	0.078	C	C	.	.	S	Bend	trans	-81.6	-23.5	-168.9	-74.5	-71.5	0	0	0	113.3	A299 D308 V310 L320 L322 A351 L360 V362 V380	A299-F301 HydrophobicContact CB-CD1 4.45Å; A299-F301 HydrophobicContact CB-CD2 4.13Å; A299-F301 HydrophobicContact CB-CE1 4.12Å; A299-F301 HydrophobicContact CB-CE2 3.77Å; A299-F301 HydrophobicContact CB-CG 4.46Å; A299-F301 HydrophobicContact CB-CZ 3.76Å; F301-D308 HydrophobicContact CD2-CB 3.7Å; F301-D308 HydrophobicContact CE2-CB 4.35Å; F301-D308 PolarHBondContact N-OD2 3.38Å; F301-V310 HydrophobicContact CE2-CB 3.93Å; F301-V310 HydrophobicContact CE2-CG1 3.93Å; F301-V310 HydrophobicContact CZ-CB 4.02Å; F301-V310 HydrophobicContact CZ-CG1 3.68Å; F301-L320 HydrophobicContact CD2-CD1 3.52Å; F301-L320 HydrophobicContact CE2-CD1 3.53Å; F301-L320 HydrophobicContact CG-CD1 4.1Å; F301-L320 HydrophobicContact CZ-CD1 4.14Å; F301-L322 HydrophobicContact CB-CD2 4.23Å; F301-A351 HydrophobicContact CE1-CB 4.37Å; F301-A351 HydrophobicContact CZ-CB 4.04Å; F301-L360 HydrophobicContact CD1-CB 4.12Å; F301-L360 HydrophobicContact CD1-CD1 4.13Å; F301-L360 HydrophobicContact CE1-CB 4.02Å; F301-L360 HydrophobicContact CE1-CD1 4.16Å; F301-V362 HydrophobicContact CE1-CG2 3.68Å; F301-V362 HydrophobicContact CZ-CG2 3.88Å; F301-V380 HydrophobicContact CB-CG1 3.9Å; F301-V380 HydrophobicContact CD1-CB 3.83Å; F301-V380 HydrophobicContact CD1-CG1 3.94Å; F301-V380 HydrophobicContact CD1-CG2 3.89Å; F301-V380 HydrophobicContact CE1-CB 4.5Å; F301-V380 HydrophobicContact CE1-CG2 4.14Å; F301-V380 HydrophobicContact CG-CG1 4.24Å
302	N	94.6	Very high	96.2	Very high	30 Å²	30	12.9 Å²	12.9	16%	0.16	7%	0.069	C	C	.	.	S	Bend	trans	-105.3	1.1	177.7	69.6	-4	0	0	0	112.9	D300 D304 L322 R382 P388	D300-N302 PolarHBondContact OD1-OD1 3.1Å; N302-D304 PolarHBondContact ND2-OD2 2.03Å; N302-D304 VanDerWaalsContact OD1-CB 3.28Å; N302-D304 WeakPolarHBondContact OD1-CB 3.35Å; N302-D304 PolarHBondContact OD1-N 3.26Å; N302-D304 PolarHBondContact OD1-OD1 2.95Å; N302-L322 HydrophobicContact CB-CD1 4.36Å; N302-L322 HydrophobicContact CB-CD2 4.42Å; N302-R382 PolarHBondContact O-NE 2.97Å; N302-R382 VanDerWaalsContact O-NE 3.12Å; N302-P388 HydrophobicContact CB-CG 3.72Å
303	R	93.8	Very high	96.3	Very high	17 Å²	17	10 Å²	10	6%	0.064	6%	0.056	C	C	.	.			trans	54.9	48.3	-177.9	-53.5	-172.8	-152.1	170.2	7.9	111.7	D300 Q358 E359 R382 H474	D300-R303 VanDerWaalsContact CG-CA 3.44Å; D300-R303 WeakPolarHBondContact OD1-CA 3.4Å; D300-R303 PolarHBondContact OD1-N 3.1Å; D300-R303 WeakPolarHBondContact OD2-CA 3.42Å; R303-Q358 VanDerWaalsContact NH2-C 3.35Å; R303-Q358 PolarHBondContact NH2-O 2.83Å; R303-E359 IonicContact CZ-OE2 3.65Å; R303-E359 IonicContact NE-OE2 2.85Å; R303-E359 IonicContact NH2-OE1 3.58Å; R303-E359 PolarHBondContact NH2-OE1 3.41Å; R303-E359 IonicContact NH2-OE2 2.8Å; R303-E359 PolarHBondContact NH2-OE2 2.71Å; R303-R382 VanDerWaalsContact CB-NH1 3.27Å; R303-R382 PolarHBondContact O-NH2 3.4Å; R303-R382 VanDerWaalsContact O-NH2 3.07Å; R303-H474 PolarHBondContact NH1-CE1 3.44Å
304	D	93.2	Very high	96.4	Very high	34 Å²	34	12 Å²	12	18%	0.182	6%	0.063	C	C	.	.	S	Bend	trans	-103.2	6.4	178.5	88.3	-5.7	0	0	0	114.2	D300 N302 K306 Y582	D300-D304 PolarHBondContact OD1-N 2.93Å; D300-D304 PolarHBondContact OD2-N 2.8Å; N302-D304 PolarHBondContact ND2-OD2 2.03Å; N302-D304 VanDerWaalsContact OD1-CB 3.28Å; N302-D304 WeakPolarHBondContact OD1-CB 3.35Å; N302-D304 PolarHBondContact OD1-N 3.26Å; N302-D304 PolarHBondContact OD1-OD1 2.95Å; D304-K306 VanDerWaalsContact C-N 3.31Å; D304-K306 WeakPolarHBondContact OD1-CB 3.3Å; D304-K306 VanDerWaalsContact OD1-CG 3.29Å; D304-K306 WeakPolarHBondContact OD1-CG 3.42Å; D304-K306 PolarHBondContact OD1-N 2.89Å; D304-K306 VanDerWaalsContact OD1-N 3.08Å; D304-K306 IonicContact OD1-NZ 2.8Å; D304-K306 IonicContact OD2-NZ 3.66Å; D304-K306 PolarHBondContact OD2-NZ 2.76Å; D304-Y582 VanDerWaalsContact C-CD1 3.44Å; D304-Y582 VanDerWaalsContact O-CB 3.26Å; D304-Y582 WeakPolarHBondContact O-CB 3.22Å
305	G	93.5	Very high	96.4	Very high	23 Å²	23	15.2 Å²	15.2	24%	0.237	8%	0.081	C	C	.	.	S	Bend	trans	80.2	9.9	177.4	0	0	0	0	0	113.8	D300	D300-G305 WeakPolarHBondContact OD2-CA 3.49Å; D300-G305 PolarHBondContact OD2-N 3.37Å
306	K	95.1	Very high	96.6	Very high	56 Å²	56	15.4 Å²	15.4	24%	0.243	8%	0.083	C	C	.	.	S	Bend	trans	-113.3	161.2	177.4	-53.5	-174.7	-156.7	102.4	0	111.6	D300 D304 Q323	D300-K306 VanDerWaalsContact CB-O 3.32Å; D300-K306 WeakPolarHBondContact CB-O 3.33Å; D304-K306 VanDerWaalsContact C-N 3.31Å; D304-K306 WeakPolarHBondContact OD1-CB 3.3Å; D304-K306 VanDerWaalsContact OD1-CG 3.29Å; D304-K306 WeakPolarHBondContact OD1-CG 3.42Å; D304-K306 PolarHBondContact OD1-N 2.89Å; D304-K306 VanDerWaalsContact OD1-N 3.08Å; D304-K306 IonicContact OD1-NZ 2.8Å; D304-K306 IonicContact OD2-NZ 3.66Å; D304-K306 PolarHBondContact OD2-NZ 2.76Å; K306-Q323 HydrophobicContact CB-CB 3.88Å; K306-Q323 HydrophobicContact CB-CG 4.3Å; K306-Q323 HydrophobicContact CD-CB 4.16Å; K306-Q323 HydrophobicContact CD-CG 4.14Å
307	V	97.1	Very high	96.6	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.024	9%	0.094	C	C	.	.			trans	-94.1	113.6	-179.1	178.6	0	0	0	0	110	P248 I249 L298 Q323 I477	P248-V307 HydrophobicContact CG-CG2 4.49Å; P248-V307 WeakPolarHBondContact O-CG2 3.44Å; I249-V307 HydrophobicContact CG1-CG1 4.19Å; L298-V307 HydrophobicContact CB-CG1 4.01Å; L298-V307 HydrophobicContact CD1-CG1 4.35Å; L298-V307 HydrophobicContact CD2-CG1 4.23Å; L298-V307 HydrophobicContact CG-CG1 4.43Å; V307-Q323 WeakPolarHBondContact O-CB 3.29Å; V307-Q323 PolarHBondContact O-NE2 3.1Å; V307-I477 HydrophobicContact CB-CD1 4.11Å; V307-I477 HydrophobicContact CG1-CD1 3.42Å; V307-I477 VanDerWaalsContact CG1-CD1 3.42Å; V307-I477 HydrophobicContact CG2-CD1 3.55Å; V307-I477 HydrophobicContact CG2-CG1 4.36Å
308	D	97.9	Very high	96.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	165.5	174.2	-59.1	-36.3	0	0	0	111.1	A299 F301 Y321 L322 Q323	A299-D308 PolarHBondContact N-O 2.84Å; A299-D308 WeakPolarHBondContact O-CA 3.05Å; A299-D308 VanDerWaalsContact O-CB 3.24Å; A299-D308 WeakPolarHBondContact O-CB 3.4Å; A299-D308 PolarHBondContact O-N 2.95Å; F301-D308 HydrophobicContact CD2-CB 3.7Å; F301-D308 HydrophobicContact CE2-CB 4.35Å; F301-D308 PolarHBondContact N-OD2 3.38Å; D308-Y321 WeakPolarHBondContact CA-O 3.43Å; D308-Y321 VanDerWaalsContact CB-O 3.28Å; D308-Y321 WeakPolarHBondContact CB-O 3.24Å; D308-L322 HydrophobicContact CB-CD2 4.34Å; D308-L322 VanDerWaalsContact OD1-CA 3.28Å; D308-L322 WeakPolarHBondContact OD1-CA 3.5Å; D308-L322 WeakPolarHBondContact OD2-CD2 3.43Å; D308-Q323 PolarHBondContact OD1-N 3.34Å
309	I	98.1	Very high	96.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.2	-178.6	-54.3	172	0	0	0	108.8	I249 F258 V286 V296 L298 Y311 Y321 F332	I249-I309 HydrophobicContact CG2-CD1 4.01Å; I249-I309 HydrophobicContact CG2-CG1 4.4Å; F258-I309 HydrophobicContact CD1-CG2 4.21Å; F258-I309 HydrophobicContact CD2-CD1 4.02Å; F258-I309 HydrophobicContact CE1-CG2 3.97Å; F258-I309 HydrophobicContact CE2-CD1 4.25Å; F258-I309 HydrophobicContact CG-CD1 4.36Å; F258-I309 HydrophobicContact CZ-CG2 4.25Å; V286-I309 HydrophobicContact CG1-CD1 4.47Å; V296-I309 HydrophobicContact CG2-CG2 3.85Å; L298-I309 HydrophobicContact CD2-CG1 3.92Å; I309-Y311 HydrophobicContact CG2-CD1 4.03Å; I309-Y321 PolarHBondContact N-O 3.1Å; I309-Y321 WeakPolarHBondContact O-CB 3.39Å; I309-Y321 PolarHBondContact O-N 3.07Å; I309-F332 HydrophobicContact CD1-CD1 4.36Å; I309-F332 HydrophobicContact CD1-CE1 3.87Å; I309-F332 HydrophobicContact CD1-CE2 4.3Å; I309-F332 HydrophobicContact CD1-CZ 3.84Å; I309-F332 HydrophobicContact CG1-CE1 3.94Å; I309-F332 HydrophobicContact CG1-CZ 4.3Å
310	V	98.4	Very high	96.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.6	168.7	64.5	0	0	0	0	109.1	V296 A297 F301 R319 L320 F340 V349 V362	V296-V310 CarbonylContact C-O 3.41Å; V296-V310 VanDerWaalsContact CA-O 3.27Å; V296-V310 WeakPolarHBondContact CA-O 3.32Å; V296-V310 WeakPolarHBondContact CG2-O 3.49Å; A297-V310 HydrophobicContact CB-CG1 3.82Å; A297-V310 PolarHBondContact N-O 3.18Å; A297-V310 PolarHBondContact O-N 3.49Å; F301-V310 HydrophobicContact CE2-CB 3.93Å; F301-V310 HydrophobicContact CE2-CG1 3.93Å; F301-V310 HydrophobicContact CZ-CB 4.02Å; F301-V310 HydrophobicContact CZ-CG1 3.68Å; V310-R319 WeakPolarHBondContact CG2-O 3.29Å; V310-L320 HydrophobicContact CB-CD1 3.79Å; V310-L320 HydrophobicContact CG2-CD1 4Å; V310-F340 HydrophobicContact CG2-CE1 4.14Å; V310-F340 HydrophobicContact CG2-CZ 3.7Å; V310-V349 HydrophobicContact CG1-CG1 3.99Å; V310-V349 HydrophobicContact CG2-CG1 4.25Å; V310-V362 HydrophobicContact CG2-CG1 3.87Å; V310-V362 HydrophobicContact CG2-CG2 4.27Å
311	Y	97.7	Very high	96.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	161.5	174.3	71.1	-93.5	0	0	0	113.4	F258 N266 D288 G295 I309 N313 R319 Y321	F258-Y311 HydrophobicContact CE1-CD1 4.21Å; F258-Y311 HydrophobicContact CE1-CE1 4.48Å; F258-Y311 HydrophobicContact CZ-CD1 4.22Å; F258-Y311 HydrophobicContact CZ-CE1 4.04Å; N266-Y311 PolarHBondContact ND2-OH 3.49Å; D288-Y311 WeakPolarHBondContact CB-OH 3.23Å; D288-Y311 PolarHBondContact OD2-OH 3.49Å; D288-Y311 VanDerWaalsContact OD2-OH 3.07Å; G295-Y311 CarbonylContact O-C 3.54Å; G295-Y311 WeakPolarHBondContact O-CA 3.32Å; G295-Y311 WeakPolarHBondContact O-CB 3.49Å; I309-Y311 HydrophobicContact CG2-CD1 4.03Å; Y311-N313 WeakPolarHBondContact CE2-OD1 3.23Å; Y311-R319 HydrophobicContact CD1-CB 3.96Å; Y311-R319 HydrophobicContact CD1-CG 4.42Å; Y311-R319 HydrophobicContact CD2-CG 4.39Å; Y311-R319 HydrophobicContact CE1-CB 3.71Å; Y311-R319 HydrophobicContact CE1-CG 3.82Å; Y311-R319 HydrophobicContact CE2-CB 4.26Å; Y311-R319 HydrophobicContact CE2-CG 3.73Å; Y311-R319 HydrophobicContact CG-CB 4.37Å; Y311-R319 VanDerWaalsContact CZ-CG 3.42Å; Y311-R319 PolarHBondContact N-O 3.1Å; Y311-R319 VanDerWaalsContact N-O 3.1Å; Y311-R319 PolarHBondContact O-N 3.48Å; Y311-Y321 HydrophobicContact CD1-CD2 4.36Å; Y311-Y321 HydrophobicContact CD1-CE2 4.46Å; Y311-Y321 AromaticContact CE1-CD2 3.73Å; Y311-Y321 HydrophobicContact CE1-CD2 3.73Å; Y311-Y321 AromaticContact CE1-CE2 3.47Å; Y311-Y321 HydrophobicContact CE1-CE2 3.47Å; Y311-Y321 VanDerWaalsContact CE1-CE2 3.47Å; Y311-Y321 AromaticContact CZ-CE2 3.96Å
312	G	97.7	Very high	96.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.6	-178.4	0	0	0	0	0	111.8	R294 G295 V346	R294-G312 WeakPolarHBondContact CB-O 3.44Å; R294-G312 PolarHBondContact N-O 2.97Å; R294-G312 VanDerWaalsContact N-O 3.11Å; G295-G312 PolarHBondContact O-N 2.84Å; G312-V346 VanDerWaalsContact C-CG1 3.49Å
313	N	97.6	Very high	97	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	133.2	169.8	-75.8	-48.6	0	0	0	112	D288 Q291 H292 G293 Y311 N315 G316 P317 H318 V346	D288-N313 PolarHBondContact OD2-ND2 3.3Å; D288-N313 VanDerWaalsContact OD2-ND2 3.13Å; Q291-N313 HydrophobicContact CB-CB 4.16Å; Q291-N313 WeakPolarHBondContact CB-ND2 3.42Å; Q291-N313 VanDerWaalsContact CB-OD1 3.24Å; Q291-N313 WeakPolarHBondContact CB-OD1 3.07Å; H292-N313 CarbonylContact O-C 3.29Å; H292-N313 WeakPolarHBondContact O-CA 3.39Å; G293-N313 PolarHBondContact N-OD1 3.23Å; Y311-N313 WeakPolarHBondContact CE2-OD1 3.23Å; N313-N315 PolarHBondContact O-N 2.8Å; N313-N315 VanDerWaalsContact O-N 3.1Å; N313-G316 PolarHBondContact O-N 3.28Å; N313-G316 VanDerWaalsContact O-N 3.15Å; N313-P317 WeakPolarHBondContact CB-O 3.33Å; N313-P317 PolarHBondContact ND2-O 3.11Å; N313-H318 PolarHBondContact N-ND1 2.75Å; N313-H318 PolarHBondContact O-CE1 3.1Å; N313-V346 WeakPolarHBondContact O-CG1 3.19Å
314	W	95.7	Very high	96.8	Very high	42 Å²	42	18.7 Å²	18.7	16%	0.159	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-60.5	108.7	176.4	178.3	-100	0	0	0	111.7	H292 R294 G316 P345 R347 I367 Y369	H292-W314 HydrophobicContact CB-CB 4.06Å; H292-W314 WeakPolarHBondContact O-CB 3.28Å; H292-W314 PolarHBondContact O-N 2.98Å; R294-W314 HydrophobicContact CG-CB 3.76Å; R294-W314 HydrophobicContact CG-CE3 4.36Å; W314-G316 PolarHBondContact O-N 3.31Å; W314-P345 HydrophobicContact CE3-CB 4.33Å; W314-P345 HydrophobicContact CH2-CB 3.88Å; W314-P345 HydrophobicContact CZ2-CB 4.41Å; W314-P345 HydrophobicContact CZ3-CB 3.82Å; W314-R347 VanDerWaalsContact CH2-NH2 3.27Å; W314-R347 VanDerWaalsContact CZ3-NH1 3.32Å; W314-I367 HydrophobicContact CH2-CG2 3.54Å; W314-I367 HydrophobicContact CZ3-CG2 3.59Å; W314-Y369 HydrophobicContact CH2-CD1 4.29Å; W314-Y369 AromaticContact CH2-CE1 3.99Å; W314-Y369 HydrophobicContact CH2-CE1 3.99Å; W314-Y369 AromaticContact CZ2-CE1 3.94Å; W314-Y369 HydrophobicContact CZ2-CE1 3.94Å; W314-Y369 HydrophobicContact CZ2-CE2 4.32Å; W314-Y369 AromaticContact CZ2-CZ 3.77Å
315	N	97	Very high	96.2	Very high	73 Å²	73	21 Å²	21	39%	0.39	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	24.6	-174.4	-63	-59.3	0	0	0	113.5	N313 S344 Y369	N313-N315 PolarHBondContact O-N 2.8Å; N313-N315 VanDerWaalsContact O-N 3.1Å; N315-S344 WeakPolarHBondContact CA-O 3.5Å; N315-S344 PolarHBondContact N-O 2.53Å; N315-Y369 PolarHBondContact ND2-OH 3.43Å
316	G	97.4	Very high	95.1	Very high	4 Å²	4	21.8 Å²	21.8	4%	0.041	12%	0.12	C	C	.	.	S	Bend	trans	-124.2	171.6	176.7	0	0	0	0	0	111	N313 W314 H318 P343	N313-G316 PolarHBondContact O-N 3.28Å; N313-G316 VanDerWaalsContact O-N 3.15Å; W314-G316 PolarHBondContact O-N 3.31Å; G316-H318 PolarHBondContact O-N 2.85Å; G316-H318 PolarHBondContact O-ND1 2.82Å; G316-P343 WeakPolarHBondContact O-CA 3.12Å
317	P	98.3	Very high	93.8	Very high	35 Å²	35	26.3 Å²	26.3	23%	0.227	14%	0.141	C	C	.	.			trans	-63.8	123.8	-179.9	26.2	-35.2	0	0	0	111.9	N313 S341	N313-P317 WeakPolarHBondContact CB-O 3.33Å; N313-P317 PolarHBondContact ND2-O 3.11Å; P317-S341 VanDerWaalsContact CA-O 3.23Å; P317-S341 WeakPolarHBondContact CA-O 3.35Å
318	H	98.6	Very high	92.7	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.181	C	C	.	.			trans	-68.8	155.3	172.9	-49.9	-28.2	0	0	0	111.2	N313 G316 F340 S341 T342 S344 F364	N313-H318 PolarHBondContact N-ND1 2.75Å; N313-H318 PolarHBondContact O-CE1 3.1Å; G316-H318 PolarHBondContact O-N 2.85Å; G316-H318 PolarHBondContact O-ND1 2.82Å; H318-F340 PolarHBondContact CD2-O 2.77Å; H318-S341 WeakPolarHBondContact O-CB 3.28Å; H318-T342 PolarHBondContact CD2-O 2.89Å; H318-T342 PolarHBondContact NE2-O 3.24Å; H318-S344 PolarHBondContact CE1-OG 3.38Å; H318-S344 PolarHBondContact NE2-OG 3.14Å; H318-F364 HydrophobicContact CB-CE1 3.87Å; H318-F364 HydrophobicContact CB-CZ 3.94Å; H318-F364 AromaticContact CD2-CD1 3.87Å; H318-F364 AromaticContact CD2-CE1 3.74Å; H318-F364 AromaticContact CG-CE1 3.79Å
319	R	98.6	Very high	92	Very high	39 Å²	39	37 Å²	37	15%	0.147	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.1	-171.4	-57.7	-62.9	-173.9	-159.5	-2.5	111.5	D288 V310 Y311 Y321 D334	D288-R319 IonicContact OD1-NH2 3.67Å; D288-R319 PolarHBondContact OD1-NH2 2.96Å; D288-R319 IonicContact OD2-CZ 3.39Å; D288-R319 IonicContact OD2-NE 3.74Å; D288-R319 PolarHBondContact OD2-NE 2.78Å; D288-R319 IonicContact OD2-NH2 3.56Å; D288-R319 PolarHBondContact OD2-NH2 3.05Å; D288-R319 VanDerWaalsContact OD2-NH2 3.16Å; V310-R319 WeakPolarHBondContact CG2-O 3.29Å; Y311-R319 HydrophobicContact CD1-CB 3.96Å; Y311-R319 HydrophobicContact CD1-CG 4.42Å; Y311-R319 HydrophobicContact CD2-CG 4.39Å; Y311-R319 HydrophobicContact CE1-CB 3.71Å; Y311-R319 HydrophobicContact CE1-CG 3.82Å; Y311-R319 HydrophobicContact CE2-CB 4.26Å; Y311-R319 HydrophobicContact CE2-CG 3.73Å; Y311-R319 HydrophobicContact CG-CB 4.37Å; Y311-R319 VanDerWaalsContact CZ-CG 3.42Å; Y311-R319 PolarHBondContact N-O 3.1Å; Y311-R319 VanDerWaalsContact N-O 3.1Å; Y311-R319 PolarHBondContact O-N 3.48Å; R319-Y321 HydrophobicContact CB-CD2 3.79Å; R319-Y321 HydrophobicContact CB-CE2 3.5Å; R319-Y321 HydrophobicContact CG-CD2 4.47Å; R319-Y321 HydrophobicContact CG-CE2 3.69Å; R319-D334 WeakPolarHBondContact CD-OD2 3.3Å; R319-D334 IonicContact CZ-OD2 2.89Å; R319-D334 IonicContact NE-OD2 2.71Å; R319-D334 IonicContact NH1-OD2 3.21Å; R319-D334 PolarHBondContact NH1-OD2 3.33Å
320	L	98.7	Very high	91.7	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	104.3	165.2	177.9	60.3	0	0	0	107.8	F301 V310 D334 I335 A336 F340 V380 I390	F301-L320 HydrophobicContact CD2-CD1 3.52Å; F301-L320 HydrophobicContact CE2-CD1 3.53Å; F301-L320 HydrophobicContact CG-CD1 4.1Å; F301-L320 HydrophobicContact CZ-CD1 4.14Å; V310-L320 HydrophobicContact CB-CD1 3.79Å; V310-L320 HydrophobicContact CG2-CD1 4Å; L320-D334 PolarHBondContact N-OD1 3.01Å; L320-D334 CarbonylContact O-C 3.59Å; L320-D334 WeakPolarHBondContact O-CA 3.39Å; L320-I335 HydrophobicContact CB-CG1 4.13Å; L320-I335 HydrophobicContact CD2-CD1 3.7Å; L320-I335 HydrophobicContact CD2-CG1 3.86Å; L320-I335 HydrophobicContact CG-CD1 4Å; L320-I335 HydrophobicContact CG-CG1 3.74Å; L320-I335 VanDerWaalsContact O-CG1 3.27Å; L320-I335 WeakPolarHBondContact O-CG1 2.98Å; L320-I335 PolarHBondContact O-N 3.25Å; L320-A336 HydrophobicContact CB-CB 4.48Å; L320-F340 HydrophobicContact CB-CD1 4.41Å; L320-F340 HydrophobicContact CB-CE1 3.79Å; L320-F340 HydrophobicContact CB-CZ 4.15Å; L320-V380 HydrophobicContact CD2-CG1 4.32Å; L320-V380 HydrophobicContact CD2-CG2 4.22Å; L320-I390 HydrophobicContact CD2-CD1 3.69Å; L320-I390 HydrophobicContact CD2-CG1 4.18Å
321	Y	98.4	Very high	91.5	Very high	19 Å²	19	45.2 Å²	45.2	8%	0.075	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	116.5	-173.7	-80.2	-67.5	0	0	0	111.1	V286 D308 I309 Y311 R319 F332 R333 D334	V286-Y321 HydrophobicContact CG1-CD1 4.42Å; V286-Y321 HydrophobicContact CG1-CD2 4.33Å; V286-Y321 HydrophobicContact CG1-CG 4.28Å; D308-Y321 WeakPolarHBondContact CA-O 3.43Å; D308-Y321 VanDerWaalsContact CB-O 3.28Å; D308-Y321 WeakPolarHBondContact CB-O 3.24Å; I309-Y321 PolarHBondContact N-O 3.1Å; I309-Y321 WeakPolarHBondContact O-CB 3.39Å; I309-Y321 PolarHBondContact O-N 3.07Å; Y311-Y321 HydrophobicContact CD1-CD2 4.36Å; Y311-Y321 HydrophobicContact CD1-CE2 4.46Å; Y311-Y321 AromaticContact CE1-CD2 3.73Å; Y311-Y321 HydrophobicContact CE1-CD2 3.73Å; Y311-Y321 AromaticContact CE1-CE2 3.47Å; Y311-Y321 HydrophobicContact CE1-CE2 3.47Å; Y311-Y321 VanDerWaalsContact CE1-CE2 3.47Å; Y311-Y321 AromaticContact CZ-CE2 3.96Å; R319-Y321 HydrophobicContact CB-CD2 3.79Å; R319-Y321 HydrophobicContact CB-CE2 3.5Å; R319-Y321 HydrophobicContact CG-CD2 4.47Å; R319-Y321 HydrophobicContact CG-CE2 3.69Å; Y321-F332 HydrophobicContact CD1-CB 3.76Å; Y321-F332 HydrophobicContact CG-CB 4.09Å; Y321-R333 WeakPolarHBondContact CA-O 3.47Å; Y321-D334 HydrophobicContact CD1-CB 3.99Å; Y321-D334 HydrophobicContact CE1-CB 3.63Å
322	L	97.3	Very high	91.5	Very high	4 Å²	4	46 Å²	46	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	136.1	169.2	-64.4	-173	0	0	0	111.4	F301 N302 D308 F332 R333 I335	F301-L322 HydrophobicContact CB-CD2 4.23Å; N302-L322 HydrophobicContact CB-CD1 4.36Å; N302-L322 HydrophobicContact CB-CD2 4.42Å; D308-L322 HydrophobicContact CB-CD2 4.34Å; D308-L322 VanDerWaalsContact OD1-CA 3.28Å; D308-L322 WeakPolarHBondContact OD1-CA 3.5Å; D308-L322 WeakPolarHBondContact OD2-CD2 3.43Å; L322-F332 WeakPolarHBondContact O-CA 3.15Å; L322-R333 PolarHBondContact N-O 2.87Å; L322-R333 PolarHBondContact O-N 2.76Å; L322-I335 HydrophobicContact CD1-CD1 3.76Å; L322-I335 HydrophobicContact CD1-CG1 4.39Å; L322-I335 HydrophobicContact CD1-CG2 4.02Å; L322-I335 HydrophobicContact CD2-CD1 3.97Å; L322-I335 HydrophobicContact CG-CD1 3.66Å; L322-I335 HydrophobicContact CG-CG1 3.98Å; L322-I335 HydrophobicContact CG-CG2 4.08Å
323	Q	96.6	Very high	91.4	Very high	15 Å²	15	50.2 Å²	50.2	7%	0.07	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	128.7	174.5	-162.4	-174.6	144.5	0	0	111.2	I249 K306 V307 D308 V330 F332	I249-Q323 PolarHBondContact O-NE2 3.03Å; K306-Q323 HydrophobicContact CB-CB 3.88Å; K306-Q323 HydrophobicContact CB-CG 4.3Å; K306-Q323 HydrophobicContact CD-CB 4.16Å; K306-Q323 HydrophobicContact CD-CG 4.14Å; V307-Q323 WeakPolarHBondContact O-CB 3.29Å; V307-Q323 PolarHBondContact O-NE2 3.1Å; D308-Q323 PolarHBondContact OD1-N 3.34Å; Q323-V330 HydrophobicContact CG-CG1 3.44Å; Q323-V330 VanDerWaalsContact CG-CG1 3.44Å; Q323-V330 VanDerWaalsContact OE1-CG1 3.26Å; Q323-F332 HydrophobicContact CB-CD1 4.15Å; Q323-F332 HydrophobicContact CB-CE1 3.67Å; Q323-F332 HydrophobicContact CB-CZ 4.22Å; Q323-F332 HydrophobicContact CG-CD1 4.46Å; Q323-F332 HydrophobicContact CG-CE1 3.84Å; Q323-F332 HydrophobicContact CG-CZ 3.87Å
324	M	91	Very high	91.4	Very high	45 Å²	45	52.8 Å²	52.8	22%	0.222	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	141.9	-179.5	-60.3	-175.9	62.3	0	0	110.6	V330 R331 R333 E601	M324-V330 CarbonylContact O-C 3.58Å; M324-V330 WeakPolarHBondContact O-CA 3Å; M324-R331 PolarHBondContact N-O 3.03Å; M324-R331 PolarHBondContact O-N 2.82Å; M324-R333 HydrophobicContact SD-CB 3.6Å; M324-R333 HydrophobicContact SD-CG 4.4Å; M324-R333 PolarHBondContact SD-NE 2.93Å; M324-E601 WeakPolarHBondContact CE-OE1 3.35Å
325	S	80.6	Confident	91.4	Very high	82 Å²	82	52 Å²	52	57%	0.573	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	106.7	170.7	-50.5	0	0	0	0	109.2
326	A	68.8	Low	91.5	Very high	39 Å²	39	49.5 Å²	49.5	32%	0.322	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.5	176.6	0	0	0	0	0	109.7	G328 K329	A326-G328 VanDerWaalsContact C-N 3.25Å; A326-G328 PolarHBondContact O-N 3.49Å; A326-K329 PolarHBondContact N-O 2.89Å; A326-K329 PolarHBondContact O-N 2.9Å
327	H	68.5	Low	91.5	Very high	151 Å²	151	50.9 Å²	50.9	70%	0.699	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	37.8	179.8	-49.1	-71.4	0	0	0	114.2	K329 E598	H327-K329 PolarHBondContact O-N 3.01Å; H327-E598 IonicContact CE1-OE1 3.27Å; H327-E598 IonicContact CE1-OE2 3.16Å
328	G	74.8	Confident	91.5	Very high	83 Å²	83	54.6 Å²	54.6	86%	0.856	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	10.5	-178.7	0	0	0	0	0	114.5	A326	A326-G328 VanDerWaalsContact C-N 3.25Å; A326-G328 PolarHBondContact O-N 3.49Å
329	K	83	Confident	91.5	Very high	145 Å²	145	60.6 Å²	60.6	63%	0.63	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.4	172	-64.1	-171.6	177.2	-170.7	0	110	A326 H327	A326-K329 PolarHBondContact N-O 2.89Å; A326-K329 PolarHBondContact O-N 2.9Å; H327-K329 PolarHBondContact O-N 3.01Å
330	V	90.8	Very high	91.5	Very high	42 Å²	42	58.8 Å²	58.8	26%	0.255	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	135.6	170.2	-179.8	0	0	0	0	109.1	L250 Q323 M324 F332	L250-V330 HydrophobicContact CD2-CB 3.82Å; L250-V330 HydrophobicContact CD2-CG1 3.42Å; L250-V330 VanDerWaalsContact CD2-CG1 3.42Å; L250-V330 HydrophobicContact CD2-CG2 4.47Å; Q323-V330 HydrophobicContact CG-CG1 3.44Å; Q323-V330 VanDerWaalsContact CG-CG1 3.44Å; Q323-V330 VanDerWaalsContact OE1-CG1 3.26Å; M324-V330 CarbonylContact O-C 3.58Å; M324-V330 WeakPolarHBondContact O-CA 3Å; V330-F332 HydrophobicContact CG1-CE2 4.16Å
331	R	94.6	Very high	91.5	Very high	131 Å²	131	60.1 Å²	60.1	49%	0.494	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	160	171	-70	-166.6	176	-146.9	-3.8	109.4	A284 M324	A284-R331 CarbonylContact O-C 3.4Å; A284-R331 WeakPolarHBondContact O-CA 3.17Å; M324-R331 PolarHBondContact N-O 3.03Å; M324-R331 PolarHBondContact O-N 2.82Å
332	F	97.1	Very high	91.5	Very high	17 Å²	17	62.3 Å²	62.3	8%	0.075	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	145.5	174.9	-69.6	-89.8	0	0	0	111.4	I249 L250 L268 A284 V286 I309 Y321 L322 Q323 V330	I249-F332 HydrophobicContact CG2-CZ 3.82Å; L250-F332 HydrophobicContact CD2-CE2 3.9Å; L250-F332 HydrophobicContact CD2-CZ 4.38Å; L268-F332 HydrophobicContact CD2-CE2 4.15Å; A284-F332 HydrophobicContact CB-CD2 4.02Å; A284-F332 HydrophobicContact CB-CE2 4.25Å; A284-F332 PolarHBondContact O-N 3.03Å; V286-F332 HydrophobicContact CG1-CB 3.44Å; V286-F332 VanDerWaalsContact CG1-CB 3.44Å; V286-F332 HydrophobicContact CG1-CD1 4.42Å; V286-F332 HydrophobicContact CG1-CD2 3.5Å; V286-F332 HydrophobicContact CG1-CE2 4.36Å; V286-F332 HydrophobicContact CG1-CG 3.53Å; I309-F332 HydrophobicContact CD1-CD1 4.36Å; I309-F332 HydrophobicContact CD1-CE1 3.87Å; I309-F332 HydrophobicContact CD1-CE2 4.3Å; I309-F332 HydrophobicContact CD1-CZ 3.84Å; I309-F332 HydrophobicContact CG1-CE1 3.94Å; I309-F332 HydrophobicContact CG1-CZ 4.3Å; Y321-F332 HydrophobicContact CD1-CB 3.76Å; Y321-F332 HydrophobicContact CG-CB 4.09Å; L322-F332 WeakPolarHBondContact O-CA 3.15Å; Q323-F332 HydrophobicContact CB-CD1 4.15Å; Q323-F332 HydrophobicContact CB-CE1 3.67Å; Q323-F332 HydrophobicContact CB-CZ 4.22Å; Q323-F332 HydrophobicContact CG-CD1 4.46Å; Q323-F332 HydrophobicContact CG-CE1 3.84Å; Q323-F332 HydrophobicContact CG-CZ 3.87Å; V330-F332 HydrophobicContact CG1-CE2 4.16Å
333	R	95.5	Very high	91.5	Very high	89 Å²	89	65.6 Å²	65.6	34%	0.336	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.7	174.7	177.6	171.5	61	95.4	-2.3	109.8	Y321 L322 M324 I335 D387	Y321-R333 WeakPolarHBondContact CA-O 3.47Å; L322-R333 PolarHBondContact N-O 2.87Å; L322-R333 PolarHBondContact O-N 2.76Å; M324-R333 HydrophobicContact SD-CB 3.6Å; M324-R333 HydrophobicContact SD-CG 4.4Å; M324-R333 PolarHBondContact SD-NE 2.93Å; R333-I335 PolarHBondContact O-N 2.77Å; R333-D387 IonicContact CZ-OD1 3.52Å; R333-D387 IonicContact CZ-OD2 3.71Å; R333-D387 IonicContact NH1-OD1 3.06Å; R333-D387 IonicContact NH1-OD2 3.48Å; R333-D387 PolarHBondContact NH1-OD2 2.9Å; R333-D387 IonicContact NH2-OD1 3.9Å; R333-D387 PolarHBondContact NH2-OD1 2.88Å; R333-D387 IonicContact NH2-OD2 3.49Å; R333-D387 PolarHBondContact NH2-OD2 3.01Å
334	D	97.4	Very high	91.6	Very high	54 Å²	54	65.4 Å²	65.4	29%	0.289	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	123.7	174.6	-168.7	3	0	0	0	109.5	R319 L320 Y321 A336	R319-D334 WeakPolarHBondContact CD-OD2 3.3Å; R319-D334 IonicContact CZ-OD2 2.89Å; R319-D334 IonicContact NE-OD2 2.71Å; R319-D334 IonicContact NH1-OD2 3.21Å; R319-D334 PolarHBondContact NH1-OD2 3.33Å; L320-D334 PolarHBondContact N-OD1 3.01Å; L320-D334 CarbonylContact O-C 3.59Å; L320-D334 WeakPolarHBondContact O-CA 3.39Å; Y321-D334 HydrophobicContact CD1-CB 3.99Å; Y321-D334 HydrophobicContact CE1-CB 3.63Å; D334-A336 WeakPolarHBondContact OD1-CB 3Å; D334-A336 PolarHBondContact OD1-N 3.24Å
335	I	97.4	Very high	91.8	Very high	24 Å²	24	63.7 Å²	63.7	12%	0.123	36%	0.36	C	S	.	.			trans	-114.8	7.4	176.5	63.9	154.1	0	0	0	112.2	L320 L322 R333 S337 P388 I390	L320-I335 HydrophobicContact CB-CG1 4.13Å; L320-I335 HydrophobicContact CD2-CD1 3.7Å; L320-I335 HydrophobicContact CD2-CG1 3.86Å; L320-I335 HydrophobicContact CG-CD1 4Å; L320-I335 HydrophobicContact CG-CG1 3.74Å; L320-I335 VanDerWaalsContact O-CG1 3.27Å; L320-I335 WeakPolarHBondContact O-CG1 2.98Å; L320-I335 PolarHBondContact O-N 3.25Å; L322-I335 HydrophobicContact CD1-CD1 3.76Å; L322-I335 HydrophobicContact CD1-CG1 4.39Å; L322-I335 HydrophobicContact CD1-CG2 4.02Å; L322-I335 HydrophobicContact CD2-CD1 3.97Å; L322-I335 HydrophobicContact CG-CD1 3.66Å; L322-I335 HydrophobicContact CG-CG1 3.98Å; L322-I335 HydrophobicContact CG-CG2 4.08Å; R333-I335 PolarHBondContact O-N 2.77Å; I335-S337 PolarHBondContact O-N 3.03Å; I335-P388 HydrophobicContact CD1-CG 4.3Å; I335-I390 WeakPolarHBondContact O-CD1 3.43Å
336	A	98.1	Very high	92.6	Very high	22 Å²	22	59.8 Å²	59.8	18%	0.182	33%	0.332	C	S	.	.			trans	-54	126.8	179.6	0	0	0	0	0	111.2	L320 D334 F340	L320-A336 HydrophobicContact CB-CB 4.48Å; D334-A336 WeakPolarHBondContact OD1-CB 3Å; D334-A336 PolarHBondContact OD1-N 3.24Å; A336-F340 HydrophobicContact CB-CB 4.47Å; A336-F340 HydrophobicContact CB-CD1 3.71Å; A336-F340 HydrophobicContact CB-CE1 4.46Å; A336-F340 HydrophobicContact CB-CG 4.48Å
337	S	97.7	Very high	93.9	Very high	33 Å²	33	58.6 Å²	58.6	23%	0.231	32%	0.319	C	S	.	.			trans	-70.1	159.1	172.4	77.9	0	0	0	0	110.4	I335 K339 F340 S341	I335-S337 PolarHBondContact O-N 3.03Å; S337-K339 PolarHBondContact O-N 3.05Å; S337-K339 VanDerWaalsContact O-N 3.1Å; S337-F340 WeakPolarHBondContact O-CB 3.43Å; S337-F340 PolarHBondContact O-N 2.95Å; S337-F340 WeakPolarHBondContact OG-CB 3.38Å; S337-F340 PolarHBondContact OG-N 3.27Å; S337-S341 PolarHBondContact O-N 2.93Å; S337-S341 PolarHBondContact O-OG 2.89Å
338	P	98	Very high	95.2	Very high	112 Å²	112	51.4 Å²	51.4	73%	0.727	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-32.8	177.5	-28.4	35.7	0	0	0	114.2	S341 T342	P338-S341 PolarHBondContact O-OG 3.34Å; P338-T342 PolarHBondContact O-N 3.42Å; P338-T342 PolarHBondContact O-OG1 3.25Å
339	K	98	Very high	96.3	Very high	127 Å²	127	47.4 Å²	47.4	55%	0.552	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-46.6	174	-73.2	-174.6	164.6	-156.2	0	111.4	S337 S341 T342 R376 F378 E392	S337-K339 PolarHBondContact O-N 3.05Å; S337-K339 VanDerWaalsContact O-N 3.1Å; K339-S341 PolarHBondContact O-N 2.81Å; K339-T342 VanDerWaalsContact O-CB 3.28Å; K339-T342 WeakPolarHBondContact O-CB 3.43Å; K339-T342 PolarHBondContact O-N 2.79Å; K339-T342 PolarHBondContact O-OG1 3.45Å; K339-T342 VanDerWaalsContact O-OG1 3.1Å; K339-R376 PolarHBondContact O-NH1 2.82Å; K339-R376 VanDerWaalsContact O-NH1 3.1Å; K339-R376 PolarHBondContact O-NH2 2.88Å; K339-F378 HydrophobicContact CB-CE1 4.47Å; K339-E392 IonicContact NZ-OE2 3.91Å; K339-E392 PolarHBondContact NZ-OE2 2.64Å
340	F	98.6	Very high	97	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-46.8	178.9	-169.1	-87.2	0	0	0	111.2	V310 H318 L320 A336 S337 T342 V362 F364 F378 I390	V310-F340 HydrophobicContact CG2-CE1 4.14Å; V310-F340 HydrophobicContact CG2-CZ 3.7Å; H318-F340 PolarHBondContact CD2-O 2.77Å; L320-F340 HydrophobicContact CB-CD1 4.41Å; L320-F340 HydrophobicContact CB-CE1 3.79Å; L320-F340 HydrophobicContact CB-CZ 4.15Å; A336-F340 HydrophobicContact CB-CB 4.47Å; A336-F340 HydrophobicContact CB-CD1 3.71Å; A336-F340 HydrophobicContact CB-CE1 4.46Å; A336-F340 HydrophobicContact CB-CG 4.48Å; S337-F340 WeakPolarHBondContact O-CB 3.43Å; S337-F340 PolarHBondContact O-N 2.95Å; S337-F340 WeakPolarHBondContact OG-CB 3.38Å; S337-F340 PolarHBondContact OG-N 3.27Å; F340-T342 PolarHBondContact O-N 3.24Å; F340-T342 VanDerWaalsContact O-N 3.1Å; F340-V362 HydrophobicContact CE2-CB 4.17Å; F340-V362 HydrophobicContact CE2-CG1 4.24Å; F340-V362 HydrophobicContact CE2-CG2 4.47Å; F340-V362 HydrophobicContact CZ-CB 4.39Å; F340-V362 HydrophobicContact CZ-CG1 4.07Å; F340-F364 HydrophobicContact CD1-CZ 4.33Å; F340-F364 HydrophobicContact CD2-CE2 4.18Å; F340-F364 HydrophobicContact CE1-CE2 4.11Å; F340-F364 AromaticContact CE1-CZ 3.63Å; F340-F364 HydrophobicContact CE1-CZ 3.63Å; F340-F364 AromaticContact CE2-CE2 3.69Å; F340-F364 HydrophobicContact CE2-CE2 3.69Å; F340-F364 HydrophobicContact CE2-CZ 4.01Å; F340-F364 AromaticContact CZ-CE2 3.66Å; F340-F364 HydrophobicContact CZ-CE2 3.66Å; F340-F364 AromaticContact CZ-CZ 3.47Å; F340-F364 HydrophobicContact CZ-CZ 3.47Å; F340-F364 VanDerWaalsContact CZ-CZ 3.47Å; F340-F378 HydrophobicContact CB-CE1 4.29Å; F340-F378 HydrophobicContact CB-CZ 4.4Å; F340-F378 HydrophobicContact CD2-CB 4Å; F340-F378 AromaticContact CD2-CD1 3.85Å; F340-F378 HydrophobicContact CD2-CD1 3.85Å; F340-F378 AromaticContact CD2-CD2 3.71Å; F340-F378 HydrophobicContact CD2-CD2 3.71Å; F340-F378 HydrophobicContact CD2-CE1 4.17Å; F340-F378 HydrophobicContact CD2-CE2 4.05Å; F340-F378 AromaticContact CD2-CG 3.58Å; F340-F378 HydrophobicContact CD2-CG 3.58Å; F340-F378 HydrophobicContact CD2-CZ 4.24Å; F340-F378 HydrophobicContact CE2-CB 4.02Å; F340-F378 AromaticContact CE2-CD2 3.96Å; F340-F378 HydrophobicContact CE2-CD2 3.96Å; F340-F378 AromaticContact CE2-CG 3.99Å; F340-F378 HydrophobicContact CE2-CG 3.99Å; F340-I390 HydrophobicContact CB-CG2 4.13Å; F340-I390 HydrophobicContact CD2-CG2 3.48Å; F340-I390 VanDerWaalsContact CD2-CG2 3.48Å; F340-I390 HydrophobicContact CE2-CG2 4.21Å; F340-I390 HydrophobicContact CG-CG2 4.13Å
341	S	98.5	Very high	97.3	Very high	29 Å²	29	40 Å²	40	20%	0.203	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	7.7	178.8	76.9	0	0	0	0	114	P317 H318 S337 P338 K339 P343	P317-S341 VanDerWaalsContact CA-O 3.23Å; P317-S341 WeakPolarHBondContact CA-O 3.35Å; H318-S341 WeakPolarHBondContact O-CB 3.28Å; S337-S341 PolarHBondContact O-N 2.93Å; S337-S341 PolarHBondContact O-OG 2.89Å; P338-S341 PolarHBondContact O-OG 3.34Å; K339-S341 PolarHBondContact O-N 2.81Å; S341-P343 WeakPolarHBondContact O-CD 3.42Å
342	T	98.4	Very high	97.5	Very high	64 Å²	64	34.3 Å²	34.3	39%	0.393	20%	0.196	S	C	.	.			trans	-65.7	124.9	179.5	-67.5	0	0	0	0	109.5	H318 P338 K339 F340 R376	H318-T342 PolarHBondContact CD2-O 2.89Å; H318-T342 PolarHBondContact NE2-O 3.24Å; P338-T342 PolarHBondContact O-N 3.42Å; P338-T342 PolarHBondContact O-OG1 3.25Å; K339-T342 VanDerWaalsContact O-CB 3.28Å; K339-T342 WeakPolarHBondContact O-CB 3.43Å; K339-T342 PolarHBondContact O-N 2.79Å; K339-T342 PolarHBondContact O-OG1 3.45Å; K339-T342 VanDerWaalsContact O-OG1 3.1Å; F340-T342 PolarHBondContact O-N 3.24Å; F340-T342 VanDerWaalsContact O-N 3.1Å; T342-R376 PolarHBondContact O-NH1 3.37Å
343	P	98.2	Very high	97.6	Very high	73 Å²	73	33.6 Å²	33.6	47%	0.474	19%	0.193	S	C	.	.			trans	-58.4	142.7	-178.9	-27.6	36.2	0	0	0	114.2	G316 S341	G316-P343 WeakPolarHBondContact O-CA 3.12Å; S341-P343 WeakPolarHBondContact O-CD 3.42Å
344	S	97.7	Very high	97.7	Very high	12 Å²	12	29.3 Å²	29.3	8%	0.084	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-155	161.8	175	71.5	0	0	0	0	110.9	N315 H318 V346 N366	N315-S344 WeakPolarHBondContact CA-O 3.5Å; N315-S344 PolarHBondContact N-O 2.53Å; H318-S344 PolarHBondContact CE1-OG 3.38Å; H318-S344 PolarHBondContact NE2-OG 3.14Å; S344-V346 PolarHBondContact O-N 3.25Å; S344-N366 PolarHBondContact OG-ND2 2.79Å; S344-N366 PolarHBondContact OG-OD1 3.35Å
345	P	96.8	Very high	97.7	Very high	9 Å²	9	27.1 Å²	27.1	6%	0.058	17%	0.165	C	C	.	.			trans	-79.2	60.7	175.6	34.8	-36.3	0	0	0	110.9	W314 N366 I367 Y369 S373	W314-P345 HydrophobicContact CE3-CB 4.33Å; W314-P345 HydrophobicContact CH2-CB 3.88Å; W314-P345 HydrophobicContact CZ2-CB 4.41Å; W314-P345 HydrophobicContact CZ3-CB 3.82Å; P345-N366 WeakPolarHBondContact O-CA 3.39Å; P345-I367 HydrophobicContact CB-CG2 4.1Å; P345-I367 VanDerWaalsContact CG-O 3.27Å; P345-I367 WeakPolarHBondContact CG-O 3.35Å; P345-I367 WeakPolarHBondContact O-CG2 3.33Å; P345-I367 PolarHBondContact O-N 3.13Å; P345-Y369 HydrophobicContact CB-CD1 4.18Å; P345-Y369 HydrophobicContact CB-CE1 3.7Å; P345-Y369 HydrophobicContact CG-CE1 4.28Å; P345-S373 WeakPolarHBondContact CG-OG 3.34Å
346	V	96.8	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	141.3	-179.5	61.2	0	0	0	0	111.7	R294 G312 N313 S344 V349 F364 N365 N366	R294-V346 HydrophobicContact CB-CG1 4.31Å; R294-V346 WeakPolarHBondContact CG-O 3.46Å; G312-V346 VanDerWaalsContact C-CG1 3.49Å; N313-V346 WeakPolarHBondContact O-CG1 3.19Å; S344-V346 PolarHBondContact O-N 3.25Å; V346-V349 HydrophobicContact CG2-CG2 3.97Å; V346-F364 HydrophobicContact CG2-CB 4.46Å; V346-F364 HydrophobicContact CG2-CD1 3.94Å; V346-N365 WeakPolarHBondContact CA-O 3.44Å; V346-N366 WeakPolarHBondContact CA-OD1 3.37Å; V346-N366 PolarHBondContact N-OD1 3.42Å
347	R	95.9	Very high	97.7	Very high	13 Å²	13	27 Å²	27	5%	0.049	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-56.6	169.4	-69.5	-59.7	-170.1	-159.3	-3.4	111	R294 G295 W314 N365 I367 G405 E427 Y484	R294-R347 CarbonylContact C-O 3.43Å; R294-R347 VanDerWaalsContact NE-NH1 3.18Å; G295-R347 WeakPolarHBondContact CA-O 3.45Å; G295-R347 PolarHBondContact N-O 2.81Å; G295-R347 VanDerWaalsContact N-O 3.08Å; W314-R347 VanDerWaalsContact CH2-NH2 3.27Å; W314-R347 VanDerWaalsContact CZ3-NH1 3.32Å; R347-N365 PolarHBondContact N-O 3.12Å; R347-I367 HydrophobicContact CG-CB 4.14Å; R347-I367 HydrophobicContact CG-CG2 4.13Å; R347-G405 WeakPolarHBondContact CG-O 3.34Å; R347-E427 IonicContact CZ-OE1 2.79Å; R347-E427 IonicContact CZ-OE2 2.72Å; R347-E427 IonicContact NE-OE1 3.34Å; R347-E427 IonicContact NE-OE2 3.51Å; R347-E427 IonicContact NH2-OE1 3.85Å; R347-E427 PolarHBondContact NH2-OE1 3.39Å; R347-E427 IonicContact NH2-OE2 2.9Å; R347-E427 PolarHBondContact NH2-OE2 2.79Å; R347-Y484 HydrophobicContact CB-CD1 4.29Å; R347-Y484 WeakPolarHBondContact O-CB 3.42Å
348	T	96.2	Very high	97.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	143.6	-174.1	-52.9	0	0	0	0	110.3	I350 N365 G407	T348-I350 HydrophobicContact CG2-CD1 4.5Å; T348-I350 HydrophobicContact CG2-CG1 4.12Å; T348-N365 PolarHBondContact N-O 3.02Å; T348-N365 PolarHBondContact O-N 2.72Å; T348-G407 WeakPolarHBondContact OG1-CA 3.29Å
349	V	97.9	Very high	97.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.7	173.4	177.7	0	0	0	0	107	G295 V310 V346 V362 F363 F364	G295-V349 WeakPolarHBondContact O-CG2 3.31Å; V310-V349 HydrophobicContact CG1-CG1 3.99Å; V310-V349 HydrophobicContact CG2-CG1 4.25Å; V346-V349 HydrophobicContact CG2-CG2 3.97Å; V349-V362 HydrophobicContact CG1-CG1 3.81Å; V349-F363 WeakPolarHBondContact CA-O 3.38Å; V349-F364 HydrophobicContact CG1-CE1 4.3Å; V349-F364 HydrophobicContact CG2-CD1 3.61Å; V349-F364 HydrophobicContact CG2-CE1 3.68Å
350	I	97.8	Very high	97.6	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.01	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	135.4	-178.3	-67.9	173.3	0	0	0	107.6	T348 A352 F354 V362 F363 V410 L421 M488	T348-I350 HydrophobicContact CG2-CD1 4.5Å; T348-I350 HydrophobicContact CG2-CG1 4.12Å; I350-A352 HydrophobicContact CG2-CB 4.49Å; I350-F354 HydrophobicContact CG2-CZ 4.18Å; I350-V362 CarbonylContact O-C 3.39Å; I350-V362 WeakPolarHBondContact O-CA 3.45Å; I350-F363 HydrophobicContact CB-CB 4.34Å; I350-F363 PolarHBondContact N-O 3.3Å; I350-F363 PolarHBondContact O-N 3.49Å; I350-V410 HydrophobicContact CD1-CG2 4.3Å; I350-V410 HydrophobicContact CG2-CB 4.48Å; I350-V410 HydrophobicContact CG2-CG2 3.28Å; I350-L421 HydrophobicContact CD1-CD1 3.69Å; I350-M488 HydrophobicContact CD1-CE 4.44Å; I350-M488 HydrophobicContact CG1-CE 3.93Å; I350-M488 HydrophobicContact CG1-SD 4.47Å
351	A	97.8	Very high	97.6	Very high	30 Å²	30	17.1 Å²	17.1	25%	0.248	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	116.2	172.7	0	0	0	0	0	110.1	A297 F301 E361	A297-A351 HydrophobicContact CB-CB 3.95Å; F301-A351 HydrophobicContact CE1-CB 4.37Å; F301-A351 HydrophobicContact CZ-CB 4.04Å; A351-E361 CarbonylContact C-O 3.55Å; A351-E361 VanDerWaalsContact CA-O 3.25Å; A351-E361 WeakPolarHBondContact CA-O 3.27Å
352	A	97.8	Very high	97.6	Very high	10 Å²	10	15.8 Å²	15.8	8%	0.083	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	156.3	-177.2	0	0	0	0	0	111.4	I350 F354 E361 V410 L419	I350-A352 HydrophobicContact CG2-CB 4.49Å; A352-F354 HydrophobicContact CB-CD2 4.27Å; A352-F354 HydrophobicContact CB-CE1 4.23Å; A352-F354 HydrophobicContact CB-CE2 3.86Å; A352-F354 HydrophobicContact CB-CZ 3.85Å; A352-E361 PolarHBondContact N-O 2.98Å; A352-E361 WeakPolarHBondContact O-CA 3.17Å; A352-E361 WeakPolarHBondContact O-CB 3.5Å; A352-E361 PolarHBondContact O-N 2.75Å; A352-V410 HydrophobicContact CB-CG1 4.14Å; A352-V410 HydrophobicContact CB-CG2 4.31Å; A352-L419 HydrophobicContact CB-CD1 3.92Å
353	D	98.3	Very high	97.6	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.011	8%	0.076	C	C	.	.			trans	-96.4	92.5	174.9	-179.7	-14.2	0	0	0	108	N356 D357 Q358 E359 L360 G495	D353-N356 WeakPolarHBondContact OD1-CA 3.48Å; D353-N356 PolarHBondContact OD1-N 2.89Å; D353-D357 PolarHBondContact OD1-N 2.87Å; D353-Q358 VanDerWaalsContact OD2-CA 3.27Å; D353-Q358 WeakPolarHBondContact OD2-CA 3.41Å; D353-Q358 PolarHBondContact OD2-N 2.8Å; D353-E359 VanDerWaalsContact CB-O 3.26Å; D353-E359 WeakPolarHBondContact CB-O 3.42Å; D353-L360 HydrophobicContact CB-CD2 4.22Å; D353-G495 WeakPolarHBondContact OD2-CA 3.31Å; D353-G495 PolarHBondContact OD2-N 2.79Å
354	F	98.2	Very high	97.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.054	C	C	.	.	S	Bend	trans	-82.1	-25.2	-168.4	-71.4	-78.9	0	0	0	113.7	M35 F36 I350 A352 E361 V410 M418 L419 L421	M35-F354 HydrophobicContact SD-CB 4.27Å; F36-F354 HydrophobicContact CE1-CB 4.17Å; F36-F354 AromaticContact CE1-CD1 3.6Å; F36-F354 HydrophobicContact CE1-CD1 3.6Å; F36-F354 HydrophobicContact CE1-CD2 4.39Å; F36-F354 AromaticContact CE1-CE1 3.99Å; F36-F354 HydrophobicContact CE1-CE1 3.99Å; F36-F354 AromaticContact CE1-CG 3.81Å; F36-F354 HydrophobicContact CE1-CG 3.81Å; F36-F354 HydrophobicContact CZ-CB 4.21Å; F36-F354 AromaticContact CZ-CD1 3.72Å; F36-F354 HydrophobicContact CZ-CD1 3.72Å; F36-F354 AromaticContact CZ-CD2 3.73Å; F36-F354 HydrophobicContact CZ-CD2 3.73Å; F36-F354 AromaticContact CZ-CE1 3.89Å; F36-F354 HydrophobicContact CZ-CE1 3.89Å; F36-F354 AromaticContact CZ-CE2 3.91Å; F36-F354 HydrophobicContact CZ-CE2 3.91Å; F36-F354 AromaticContact CZ-CG 3.62Å; F36-F354 HydrophobicContact CZ-CG 3.62Å; F36-F354 AromaticContact CZ-CZ 3.97Å; F36-F354 HydrophobicContact CZ-CZ 3.97Å; I350-F354 HydrophobicContact CG2-CZ 4.18Å; A352-F354 HydrophobicContact CB-CD2 4.27Å; A352-F354 HydrophobicContact CB-CE1 4.23Å; A352-F354 HydrophobicContact CB-CE2 3.86Å; A352-F354 HydrophobicContact CB-CZ 3.85Å; F354-E361 HydrophobicContact CD2-CB 3.91Å; F354-E361 HydrophobicContact CD2-CG 4.43Å; F354-E361 HydrophobicContact CE2-CB 4.26Å; F354-E361 PolarHBondContact N-OE2 3.12Å; F354-V410 HydrophobicContact CE1-CB 4.45Å; F354-V410 HydrophobicContact CE1-CG1 3.83Å; F354-V410 HydrophobicContact CE1-CG2 3.66Å; F354-V410 HydrophobicContact CZ-CG1 4.48Å; F354-V410 HydrophobicContact CZ-CG2 3.64Å; F354-M418 VanDerWaalsContact O-CE 3.3Å; F354-M418 WeakPolarHBondContact O-CE 3.31Å; F354-L419 HydrophobicContact CD1-CB 4.03Å; F354-L421 HydrophobicContact CE1-CB 4.23Å
355	D	97.8	Very high	97.7	Very high	8 Å²	8	8.7 Å²	8.7	4%	0.043	5%	0.05	C	C	.	.	S	Bend	trans	-109.8	16	179.5	66.7	-8.3	0	0	0	112.9	M35 D357 R379 Q440 G441 N444	M35-D355 HydrophobicContact CE-CB 4.26Å; M35-D355 HydrophobicContact SD-CB 4.26Å; D355-D357 PolarHBondContact O-N 2.88Å; D355-D357 WeakPolarHBondContact OD1-CB 3.4Å; D355-R379 IonicContact OD1-NH2 3.66Å; D355-R379 PolarHBondContact OD1-NH2 2.92Å; D355-R379 IonicContact OD2-CZ 3.55Å; D355-R379 IonicContact OD2-NH2 3.18Å; D355-R379 PolarHBondContact OD2-NH2 2.69Å; D355-Q440 HydrophobicContact CB-CB 3.99Å; D355-G441 WeakPolarHBondContact O-CA 3.41Å; D355-N444 PolarHBondContact O-ND2 3.5Å
356	N	98.3	Very high	97.7	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.048	C	C	.	.	S	Bend	trans	54.8	32.4	176.2	-73.8	-41	0	0	0	113.1	D353 G417 M418 N444 H493 G495 L496 G497	D353-N356 WeakPolarHBondContact OD1-CA 3.48Å; D353-N356 PolarHBondContact OD1-N 2.89Å; N356-G417 PolarHBondContact ND2-O 3.45Å; N356-M418 PolarHBondContact ND2-SD 3.06Å; N356-M418 VanDerWaalsContact ND2-SD 3.39Å; N356-N444 HydrophobicContact CB-CB 3.7Å; N356-N444 WeakPolarHBondContact O-CB 3.34Å; N356-N444 PolarHBondContact O-ND2 3.26Å; N356-H493 PolarHBondContact OD1-NE2 2.93Å; N356-G495 WeakPolarHBondContact OD1-CA 3.4Å; N356-L496 PolarHBondContact O-N 2.89Å; N356-G497 WeakPolarHBondContact O-CA 3.24Å; N356-G497 PolarHBondContact O-N 3.48Å
357	D	97.2	Very high	97.7	Very high	44 Å²	44	8.4 Å²	8.4	24%	0.235	5%	0.048	C	C	.	.	S	Bend	trans	-94.2	2.3	-170.5	89.4	-7.2	0	0	0	114.5	D353 D355 E359 R379	D353-D357 PolarHBondContact OD1-N 2.87Å; D355-D357 PolarHBondContact O-N 2.88Å; D355-D357 WeakPolarHBondContact OD1-CB 3.4Å; D357-E359 VanDerWaalsContact C-N 3.33Å; D357-E359 WeakPolarHBondContact OD1-CA 3.32Å; D357-E359 WeakPolarHBondContact OD1-CB 3.25Å; D357-E359 PolarHBondContact OD1-N 3.03Å; D357-R379 IonicContact OD2-CZ 3.46Å; D357-R379 IonicContact OD2-NE 2.68Å; D357-R379 PolarHBondContact OD2-NE 3.35Å; D357-R379 IonicContact OD2-NH1 3.12Å; D357-R379 PolarHBondContact OD2-NH1 3.27Å; D357-R379 IonicContact OD2-NH2 3.41Å
358	Q	96.6	Very high	97.7	Very high	26 Å²	26	8 Å²	8	12%	0.121	5%	0.047	C	C	.	.	S	Bend	trans	85.9	-17	-175.8	-56	178	18.9	0	0	115.2	R303 D353 S471 G495 L496	R303-Q358 VanDerWaalsContact NH2-C 3.35Å; R303-Q358 PolarHBondContact NH2-O 2.83Å; D353-Q358 VanDerWaalsContact OD2-CA 3.27Å; D353-Q358 WeakPolarHBondContact OD2-CA 3.41Å; D353-Q358 PolarHBondContact OD2-N 2.8Å; Q358-S471 VanDerWaalsContact CD-OG 3.31Å; Q358-S471 PolarHBondContact NE2-OG 3.36Å; Q358-S471 PolarHBondContact OE1-OG 2.99Å; Q358-G495 WeakPolarHBondContact CA-O 3.35Å; Q358-G495 WeakPolarHBondContact CG-O 3.28Å; Q358-L496 PolarHBondContact NE2-O 2.7Å
359	E	97.2	Very high	97.5	Very high	29 Å²	29	12 Å²	12	14%	0.136	6%	0.062	C	C	.	.	S	Bend	trans	-92.3	156.3	177.5	-53.5	-62.5	-171.3	0	0	110.9	R303 D353 D357 R379 R382	R303-E359 IonicContact CZ-OE2 3.65Å; R303-E359 IonicContact NE-OE2 2.85Å; R303-E359 IonicContact NH2-OE1 3.58Å; R303-E359 PolarHBondContact NH2-OE1 3.41Å; R303-E359 IonicContact NH2-OE2 2.8Å; R303-E359 PolarHBondContact NH2-OE2 2.71Å; D353-E359 VanDerWaalsContact CB-O 3.26Å; D353-E359 WeakPolarHBondContact CB-O 3.42Å; D357-E359 VanDerWaalsContact C-N 3.33Å; D357-E359 WeakPolarHBondContact OD1-CA 3.32Å; D357-E359 WeakPolarHBondContact OD1-CB 3.25Å; D357-E359 PolarHBondContact OD1-N 3.03Å; E359-R379 HydrophobicContact CB-CG 3.93Å; E359-R382 PolarHBondContact OE1-N 2.8Å; E359-R382 PolarHBondContact OE2-N 3.3Å
360	L	98.1	Very high	97.1	Very high	9 Å²	9	21 Å²	21	5%	0.047	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.3	177.6	-72.8	172.3	0	0	0	109.5	A299 F301 D353 V380	A299-L360 HydrophobicContact CB-CD1 3.51Å; F301-L360 HydrophobicContact CD1-CB 4.12Å; F301-L360 HydrophobicContact CD1-CD1 4.13Å; F301-L360 HydrophobicContact CE1-CB 4.02Å; F301-L360 HydrophobicContact CE1-CD1 4.16Å; D353-L360 HydrophobicContact CB-CD2 4.22Å; L360-V380 PolarHBondContact O-N 2.8Å
361	E	98.4	Very high	96.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	145.9	163.1	-73.2	75.4	-136.2	0	0	111.8	M35 A351 A352 F354 L377 F378 R379 L393	M35-E361 HydrophobicContact CE-CG 4.46Å; A351-E361 CarbonylContact C-O 3.55Å; A351-E361 VanDerWaalsContact CA-O 3.25Å; A351-E361 WeakPolarHBondContact CA-O 3.27Å; A352-E361 PolarHBondContact N-O 2.98Å; A352-E361 WeakPolarHBondContact O-CA 3.17Å; A352-E361 WeakPolarHBondContact O-CB 3.5Å; A352-E361 PolarHBondContact O-N 2.75Å; F354-E361 HydrophobicContact CD2-CB 3.91Å; F354-E361 HydrophobicContact CD2-CG 4.43Å; F354-E361 HydrophobicContact CE2-CB 4.26Å; F354-E361 PolarHBondContact N-OE2 3.12Å; E361-L377 HydrophobicContact CB-CD1 3.73Å; E361-L377 HydrophobicContact CG-CD1 4.06Å; E361-L377 HydrophobicContact CG-CG 4.4Å; E361-F378 CarbonylContact C-O 3.25Å; E361-F378 WeakPolarHBondContact CA-O 3.4Å; E361-R379 HydrophobicContact CG-CB 4.48Å; E361-R379 IonicContact OE1-CZ 2.75Å; E361-R379 IonicContact OE1-NE 3.54Å; E361-R379 PolarHBondContact OE1-NE 3.15Å; E361-R379 IonicContact OE1-NH2 3.94Å; E361-R379 PolarHBondContact OE1-NH2 2.71Å; E361-R379 VanDerWaalsContact OE1-NH2 3.12Å; E361-L393 HydrophobicContact CG-CD1 3.86Å
362	V	98.7	Very high	96.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.8	168.7	-180	0	0	0	0	108.8	F301 V310 F340 V349 I350 F364 L377 F378 V380	F301-V362 HydrophobicContact CE1-CG2 3.68Å; F301-V362 HydrophobicContact CZ-CG2 3.88Å; V310-V362 HydrophobicContact CG2-CG1 3.87Å; V310-V362 HydrophobicContact CG2-CG2 4.27Å; F340-V362 HydrophobicContact CE2-CB 4.17Å; F340-V362 HydrophobicContact CE2-CG1 4.24Å; F340-V362 HydrophobicContact CE2-CG2 4.47Å; F340-V362 HydrophobicContact CZ-CB 4.39Å; F340-V362 HydrophobicContact CZ-CG1 4.07Å; V349-V362 HydrophobicContact CG1-CG1 3.81Å; I350-V362 CarbonylContact O-C 3.39Å; I350-V362 WeakPolarHBondContact O-CA 3.45Å; V362-F364 HydrophobicContact CG1-CD2 4.25Å; V362-F364 HydrophobicContact CG1-CE2 3.72Å; V362-F364 HydrophobicContact CG1-CZ 3.87Å; V362-L377 WeakPolarHBondContact O-CA 3.25Å; V362-F378 PolarHBondContact N-O 2.98Å; V362-F378 PolarHBondContact O-N 2.81Å; V362-V380 HydrophobicContact CG2-CG2 4.05Å
363	F	98.6	Very high	96.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.8	175.1	-176	-96.3	0	0	0	110.6	F36 V349 I350 N365 N375 R376 L377 A398 L421 L423	F36-F363 HydrophobicContact CE2-CD2 4.41Å; V349-F363 WeakPolarHBondContact CA-O 3.38Å; I350-F363 HydrophobicContact CB-CB 4.34Å; I350-F363 PolarHBondContact N-O 3.3Å; I350-F363 PolarHBondContact O-N 3.49Å; F363-N365 HydrophobicContact CD1-CB 4.29Å; F363-N365 HydrophobicContact CE1-CB 3.85Å; F363-N375 HydrophobicContact CE1-CB 4.27Å; F363-N375 HydrophobicContact CE2-CB 3.8Å; F363-N375 HydrophobicContact CZ-CB 3.48Å; F363-N375 VanDerWaalsContact CZ-CB 3.48Å; F363-R376 WeakPolarHBondContact CA-O 3.39Å; F363-L377 HydrophobicContact CB-CD1 4.06Å; F363-L377 HydrophobicContact CD2-CB 4.44Å; F363-L377 HydrophobicContact CD2-CD1 4.09Å; F363-A398 HydrophobicContact CE2-CB 4.19Å; F363-A398 HydrophobicContact CZ-CB 4.44Å; F363-L421 HydrophobicContact CD1-CD2 4.26Å; F363-L421 HydrophobicContact CD2-CD2 4.29Å; F363-L421 HydrophobicContact CE1-CD2 3.97Å; F363-L421 HydrophobicContact CE2-CD2 3.99Å; F363-L421 HydrophobicContact CG-CD2 4.41Å; F363-L421 HydrophobicContact CZ-CD2 3.81Å; F363-L423 HydrophobicContact CE1-CD1 3.91Å; F363-L423 HydrophobicContact CE1-CD2 3.93Å; F363-L423 HydrophobicContact CZ-CD1 3.89Å
364	F	98.4	Very high	96.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	110.7	172.9	-68.2	-82	0	0	0	109.4	H318 F340 V346 V349 V362 N375 R376 F378	H318-F364 HydrophobicContact CB-CE1 3.87Å; H318-F364 HydrophobicContact CB-CZ 3.94Å; H318-F364 AromaticContact CD2-CD1 3.87Å; H318-F364 AromaticContact CD2-CE1 3.74Å; H318-F364 AromaticContact CG-CE1 3.79Å; F340-F364 HydrophobicContact CD1-CZ 4.33Å; F340-F364 HydrophobicContact CD2-CE2 4.18Å; F340-F364 HydrophobicContact CE1-CE2 4.11Å; F340-F364 AromaticContact CE1-CZ 3.63Å; F340-F364 HydrophobicContact CE1-CZ 3.63Å; F340-F364 AromaticContact CE2-CE2 3.69Å; F340-F364 HydrophobicContact CE2-CE2 3.69Å; F340-F364 HydrophobicContact CE2-CZ 4.01Å; F340-F364 AromaticContact CZ-CE2 3.66Å; F340-F364 HydrophobicContact CZ-CE2 3.66Å; F340-F364 AromaticContact CZ-CZ 3.47Å; F340-F364 HydrophobicContact CZ-CZ 3.47Å; F340-F364 VanDerWaalsContact CZ-CZ 3.47Å; V346-F364 HydrophobicContact CG2-CB 4.46Å; V346-F364 HydrophobicContact CG2-CD1 3.94Å; V349-F364 HydrophobicContact CG1-CE1 4.3Å; V349-F364 HydrophobicContact CG2-CD1 3.61Å; V349-F364 HydrophobicContact CG2-CE1 3.68Å; V362-F364 HydrophobicContact CG1-CD2 4.25Å; V362-F364 HydrophobicContact CG1-CE2 3.72Å; V362-F364 HydrophobicContact CG1-CZ 3.87Å; F364-N375 VanDerWaalsContact O-CA 3.31Å; F364-N375 WeakPolarHBondContact O-CA 3.29Å; F364-N375 WeakPolarHBondContact O-CB 3.32Å; F364-R376 HydrophobicContact CB-CB 4.31Å; F364-R376 HydrophobicContact CD2-CB 4.47Å; F364-R376 PolarHBondContact N-O 3.21Å; F364-R376 PolarHBondContact O-N 3.46Å; F364-R376 VanDerWaalsContact O-N 3.1Å; F364-F378 AromaticContact CD2-CD2 3.92Å; F364-F378 HydrophobicContact CD2-CD2 3.92Å; F364-F378 AromaticContact CD2-CE2 3.84Å; F364-F378 HydrophobicContact CD2-CE2 3.84Å; F364-F378 AromaticContact CE2-CD2 3.8Å; F364-F378 HydrophobicContact CE2-CD2 3.8Å; F364-F378 AromaticContact CE2-CE2 3.84Å; F364-F378 HydrophobicContact CE2-CE2 3.84Å
365	N	97.9	Very high	96.7	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	119.4	173.9	-178.6	-131.6	0	0	0	110.4	V346 R347 T348 F363 N375 G405 T406	V346-N365 WeakPolarHBondContact CA-O 3.44Å; R347-N365 PolarHBondContact N-O 3.12Å; T348-N365 PolarHBondContact N-O 3.02Å; T348-N365 PolarHBondContact O-N 2.72Å; F363-N365 HydrophobicContact CD1-CB 4.29Å; F363-N365 HydrophobicContact CE1-CB 3.85Å; N365-N375 VanDerWaalsContact CA-OD1 3.32Å; N365-N375 WeakPolarHBondContact CA-OD1 3.28Å; N365-N375 PolarHBondContact ND2-OD1 3.06Å; N365-G405 VanDerWaalsContact OD1-C 3.27Å; N365-G405 VanDerWaalsContact OD1-CA 3.25Å; N365-G405 WeakPolarHBondContact OD1-CA 3.44Å; N365-T406 PolarHBondContact OD1-N 2.98Å
366	N	97.7	Very high	96.8	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.011	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	150.4	-175.1	-70.8	-32.2	0	0	0	111.5	S344 P345 V346 S373 A374 N375 G405	S344-N366 PolarHBondContact OG-ND2 2.79Å; S344-N366 PolarHBondContact OG-OD1 3.35Å; P345-N366 WeakPolarHBondContact O-CA 3.39Å; V346-N366 WeakPolarHBondContact CA-OD1 3.37Å; V346-N366 PolarHBondContact N-OD1 3.42Å; N366-S373 WeakPolarHBondContact CB-O 3.17Å; N366-A374 PolarHBondContact ND2-O 2.99Å; N366-N375 PolarHBondContact N-OD1 2.85Å; N366-G405 PolarHBondContact O-N 2.9Å
367	I	96.9	Very high	96.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-100.9	120.4	171.8	-167.5	179.2	0	0	0	111.2	W314 P345 R347 Y369 R404 G405 E427	W314-I367 HydrophobicContact CH2-CG2 3.54Å; W314-I367 HydrophobicContact CZ3-CG2 3.59Å; P345-I367 HydrophobicContact CB-CG2 4.1Å; P345-I367 VanDerWaalsContact CG-O 3.27Å; P345-I367 WeakPolarHBondContact CG-O 3.35Å; P345-I367 WeakPolarHBondContact O-CG2 3.33Å; P345-I367 PolarHBondContact O-N 3.13Å; R347-I367 HydrophobicContact CG-CB 4.14Å; R347-I367 HydrophobicContact CG-CG2 4.13Å; I367-Y369 HydrophobicContact CG2-CD1 4.07Å; I367-Y369 WeakPolarHBondContact O-CD1 3.03Å; I367-Y369 PolarHBondContact O-N 2.87Å; I367-R404 HydrophobicContact CG1-CB 4.2Å; I367-G405 WeakPolarHBondContact CB-O 3.46Å; I367-E427 HydrophobicContact CD1-CB 3.92Å; I367-E427 HydrophobicContact CD1-CG 4.36Å; I367-E427 WeakPolarHBondContact CD1-OE1 3.23Å
368	A	96.4	Very high	96.8	Very high	4 Å²	4	27.5 Å²	27.5	3%	0.033	14%	0.14	C	C	.	.			trans	-80.9	96.8	168	0	0	0	0	0	110.7	G403 R404	A368-G403 VanDerWaalsContact CB-O 3.29Å; A368-G403 WeakPolarHBondContact CB-O 3.43Å; A368-G403 PolarHBondContact N-O 3.06Å; A368-R404 WeakPolarHBondContact O-CG 3.22Å
369	Y	91.5	Very high	96.9	Very high	84 Å²	84	27.9 Å²	27.9	33%	0.329	14%	0.14	S	C	.	.	S	Bend	trans	-120.8	-25.9	-175.7	76.7	-70.3	0	0	0	115	W314 N315 P345 I367	W314-Y369 HydrophobicContact CH2-CD1 4.29Å; W314-Y369 AromaticContact CH2-CE1 3.99Å; W314-Y369 HydrophobicContact CH2-CE1 3.99Å; W314-Y369 AromaticContact CZ2-CE1 3.94Å; W314-Y369 HydrophobicContact CZ2-CE1 3.94Å; W314-Y369 HydrophobicContact CZ2-CE2 4.32Å; W314-Y369 AromaticContact CZ2-CZ 3.77Å; N315-Y369 PolarHBondContact ND2-OH 3.43Å; P345-Y369 HydrophobicContact CB-CD1 4.18Å; P345-Y369 HydrophobicContact CB-CE1 3.7Å; P345-Y369 HydrophobicContact CG-CE1 4.28Å; I367-Y369 HydrophobicContact CG2-CD1 4.07Å; I367-Y369 WeakPolarHBondContact O-CD1 3.03Å; I367-Y369 PolarHBondContact O-N 2.87Å
370	R	90.1	Very high	97	Very high	191 Å²	191	26.6 Å²	26.6	72%	0.721	13%	0.134	S	C	*	.	S	Bend	trans	-120.7	-31.8	175	-75.2	177	-177.4	-164.2	2.9	112.7
371	S	91.9	Very high	96.9	Very high	82 Å²	82	28.1 Å²	28.1	57%	0.573	14%	0.142	S	C	*	.	S	Bend	trans	-151.8	165.8	178	58.2	0	0	0	0	108.9	S373	S371-S373 PolarHBondContact O-N 3.13Å; S371-S373 PolarHBondContact O-OG 2.85Å
372	S	95.9	Very high	96.7	Very high	63 Å²	63	31.9 Å²	31.9	44%	0.441	16%	0.156	S	C	.	.			trans	-44.7	127.6	166	-156	0	0	0	0	110.9	P401 E402	S372-P401 CarbonylContact C-O 3.53Å; S372-P401 VanDerWaalsContact CA-O 3.28Å; S372-P401 WeakPolarHBondContact CA-O 3.31Å; S372-P401 WeakPolarHBondContact OG-CB 3.4Å; S372-P401 PolarHBondContact OG-O 3.24Å; S372-E402 WeakPolarHBondContact CA-OE1 3.15Å; S372-E402 WeakPolarHBondContact CB-OE1 2.99Å; S372-E402 PolarHBondContact OG-OE1 3Å
373	S	97	Very high	96.3	Very high	15 Å²	15	39 Å²	39	11%	0.105	18%	0.183	C	C	.	.			trans	-144.9	82.8	-175.5	-59.7	0	0	0	0	108.8	P345 N366 S371 P401	P345-S373 WeakPolarHBondContact CG-OG 3.34Å; N366-S373 WeakPolarHBondContact CB-O 3.17Å; S371-S373 PolarHBondContact O-N 3.13Å; S371-S373 PolarHBondContact O-OG 2.85Å; S373-P401 PolarHBondContact N-O 2.84Å
374	A	97.9	Very high	95.4	Very high	32 Å²	32	46 Å²	46	26%	0.264	22%	0.216	S	C	.	.			trans	-64	142.2	-177.7	0	0	0	0	0	113	N366 L399 P401	N366-A374 PolarHBondContact ND2-O 2.99Å; A374-L399 CarbonylContact C-O 3.49Å; A374-L399 VanDerWaalsContact CA-O 3.31Å; A374-L399 WeakPolarHBondContact CA-O 3.44Å; A374-L399 HydrophobicContact CB-CD1 3.65Å; A374-L399 HydrophobicContact CB-CG 3.77Å; A374-P401 HydrophobicContact CB-CB 4.24Å
375	N	98.6	Very high	94.4	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.011	24%	0.235	C	C	.	.			trans	-60.1	156.3	165.7	-62.2	-36.9	0	0	0	110.5	F363 F364 N365 N366 A398 L399	F363-N375 HydrophobicContact CE1-CB 4.27Å; F363-N375 HydrophobicContact CE2-CB 3.8Å; F363-N375 HydrophobicContact CZ-CB 3.48Å; F363-N375 VanDerWaalsContact CZ-CB 3.48Å; F364-N375 VanDerWaalsContact O-CA 3.31Å; F364-N375 WeakPolarHBondContact O-CA 3.29Å; F364-N375 WeakPolarHBondContact O-CB 3.32Å; N365-N375 VanDerWaalsContact CA-OD1 3.32Å; N365-N375 WeakPolarHBondContact CA-OD1 3.28Å; N365-N375 PolarHBondContact ND2-OD1 3.06Å; N366-N375 PolarHBondContact N-OD1 2.85Å; N375-A398 VanDerWaalsContact CB-O 3.28Å; N375-A398 WeakPolarHBondContact CB-O 3.29Å; N375-A398 PolarHBondContact ND2-O 2.7Å; N375-L399 PolarHBondContact N-O 2.89Å
376	R	98.5	Very high	93.7	Very high	35 Å²	35	51.7 Å²	51.7	13%	0.132	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147.1	-176.7	-54.2	177.2	69.5	-157.4	7.3	110.3	K339 T342 F363 F364 F378 E392	K339-R376 PolarHBondContact O-NH1 2.82Å; K339-R376 VanDerWaalsContact O-NH1 3.1Å; K339-R376 PolarHBondContact O-NH2 2.88Å; T342-R376 PolarHBondContact O-NH1 3.37Å; F363-R376 WeakPolarHBondContact CA-O 3.39Å; F364-R376 HydrophobicContact CB-CB 4.31Å; F364-R376 HydrophobicContact CD2-CB 4.47Å; F364-R376 PolarHBondContact N-O 3.21Å; F364-R376 PolarHBondContact O-N 3.46Å; F364-R376 VanDerWaalsContact O-N 3.1Å; R376-F378 HydrophobicContact CB-CE2 3.98Å; R376-E392 IonicContact CZ-OE1 3.91Å; R376-E392 IonicContact NE-OE1 2.99Å; R376-E392 IonicContact NH2-OE1 2.72Å; R376-E392 PolarHBondContact NH2-OE1 3.17Å
377	L	98.7	Very high	93.4	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.1	-178.2	-176.7	69.7	0	0	0	109.3	M35 F36 E361 V362 F363 L393 P395	M35-L377 HydrophobicContact CB-CD2 3.52Å; M35-L377 HydrophobicContact CG-CD2 3.68Å; F36-L377 HydrophobicContact CD2-CD2 4.48Å; F36-L377 HydrophobicContact CE2-CD1 4.24Å; F36-L377 HydrophobicContact CE2-CD2 3.89Å; E361-L377 HydrophobicContact CB-CD1 3.73Å; E361-L377 HydrophobicContact CG-CD1 4.06Å; E361-L377 HydrophobicContact CG-CG 4.4Å; V362-L377 WeakPolarHBondContact O-CA 3.25Å; F363-L377 HydrophobicContact CB-CD1 4.06Å; F363-L377 HydrophobicContact CD2-CB 4.44Å; F363-L377 HydrophobicContact CD2-CD1 4.09Å; L377-L393 HydrophobicContact CB-CB 4.3Å; L377-L393 HydrophobicContact CD2-CB 3.8Å; L377-L393 HydrophobicContact CD2-CD1 3.92Å; L377-L393 HydrophobicContact CD2-CG 4.49Å; L377-L393 HydrophobicContact CG-CB 3.99Å; L377-L393 HydrophobicContact CG-CD1 4.18Å; L377-L393 PolarHBondContact O-N 3.16Å; L377-P395 HydrophobicContact CB-CB 4.39Å; L377-P395 HydrophobicContact CB-CG 3.85Å
378	F	98.7	Very high	93.3	Very high	1 Å²	1	55.2 Å²	55.2	0%	0.004	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.4	176	-63.1	-93.7	0	0	0	110.8	K339 F340 E361 V362 F364 R376 I390 E391 E392	K339-F378 HydrophobicContact CB-CE1 4.47Å; F340-F378 HydrophobicContact CB-CE1 4.29Å; F340-F378 HydrophobicContact CB-CZ 4.4Å; F340-F378 HydrophobicContact CD2-CB 4Å; F340-F378 AromaticContact CD2-CD1 3.85Å; F340-F378 HydrophobicContact CD2-CD1 3.85Å; F340-F378 AromaticContact CD2-CD2 3.71Å; F340-F378 HydrophobicContact CD2-CD2 3.71Å; F340-F378 HydrophobicContact CD2-CE1 4.17Å; F340-F378 HydrophobicContact CD2-CE2 4.05Å; F340-F378 AromaticContact CD2-CG 3.58Å; F340-F378 HydrophobicContact CD2-CG 3.58Å; F340-F378 HydrophobicContact CD2-CZ 4.24Å; F340-F378 HydrophobicContact CE2-CB 4.02Å; F340-F378 AromaticContact CE2-CD2 3.96Å; F340-F378 HydrophobicContact CE2-CD2 3.96Å; F340-F378 AromaticContact CE2-CG 3.99Å; F340-F378 HydrophobicContact CE2-CG 3.99Å; E361-F378 CarbonylContact C-O 3.25Å; E361-F378 WeakPolarHBondContact CA-O 3.4Å; V362-F378 PolarHBondContact N-O 2.98Å; V362-F378 PolarHBondContact O-N 2.81Å; F364-F378 AromaticContact CD2-CD2 3.92Å; F364-F378 HydrophobicContact CD2-CD2 3.92Å; F364-F378 AromaticContact CD2-CE2 3.84Å; F364-F378 HydrophobicContact CD2-CE2 3.84Å; F364-F378 AromaticContact CE2-CD2 3.8Å; F364-F378 HydrophobicContact CE2-CD2 3.8Å; F364-F378 AromaticContact CE2-CE2 3.84Å; F364-F378 HydrophobicContact CE2-CE2 3.84Å; R376-F378 HydrophobicContact CB-CE2 3.98Å; F378-I390 HydrophobicContact CB-CG2 4.14Å; F378-I390 HydrophobicContact CD1-CG2 3.86Å; F378-I390 HydrophobicContact CG-CG2 4.29Å; F378-E391 CarbonylContact C-O 3.59Å; F378-E391 WeakPolarHBondContact CA-O 3.3Å; F378-E391 WeakPolarHBondContact CB-O 3.48Å; F378-E392 HydrophobicContact CD1-CB 3.79Å; F378-E392 HydrophobicContact CD1-CG 4.17Å; F378-E392 HydrophobicContact CE1-CB 3.63Å; F378-E392 HydrophobicContact CE1-CG 3.74Å; F378-E392 HydrophobicContact CZ-CG 4.17Å
379	R	98.3	Very high	93.3	Very high	35 Å²	35	59.5 Å²	59.5	13%	0.132	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	133.4	166	-175.4	172.6	-70.5	159.6	-2.3	110	D355 D357 E359 E361 I381 I390 E391 L393	D355-R379 IonicContact OD1-NH2 3.66Å; D355-R379 PolarHBondContact OD1-NH2 2.92Å; D355-R379 IonicContact OD2-CZ 3.55Å; D355-R379 IonicContact OD2-NH2 3.18Å; D355-R379 PolarHBondContact OD2-NH2 2.69Å; D357-R379 IonicContact OD2-CZ 3.46Å; D357-R379 IonicContact OD2-NE 2.68Å; D357-R379 PolarHBondContact OD2-NE 3.35Å; D357-R379 IonicContact OD2-NH1 3.12Å; D357-R379 PolarHBondContact OD2-NH1 3.27Å; D357-R379 IonicContact OD2-NH2 3.41Å; E359-R379 HydrophobicContact CB-CG 3.93Å; E361-R379 HydrophobicContact CG-CB 4.48Å; E361-R379 IonicContact OE1-CZ 2.75Å; E361-R379 IonicContact OE1-NE 3.54Å; E361-R379 PolarHBondContact OE1-NE 3.15Å; E361-R379 IonicContact OE1-NH2 3.94Å; E361-R379 PolarHBondContact OE1-NH2 2.71Å; E361-R379 VanDerWaalsContact OE1-NH2 3.12Å; R379-I381 HydrophobicContact CB-CG1 4.37Å; R379-I381 HydrophobicContact CG-CD1 4.42Å; R379-I381 HydrophobicContact CG-CG1 3.66Å; R379-I390 WeakPolarHBondContact O-CA 3.49Å; R379-E391 PolarHBondContact N-O 3.21Å; R379-E391 PolarHBondContact O-N 3.05Å; R379-L393 HydrophobicContact CB-CD1 3.96Å; R379-L393 HydrophobicContact CB-CD2 4.35Å; R379-L393 HydrophobicContact CB-CG 4.15Å
380	V	98.3	Very high	93.6	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	101.1	174.1	-171.8	0	0	0	0	108.4	F301 L320 L360 V362 P388	F301-V380 HydrophobicContact CB-CG1 3.9Å; F301-V380 HydrophobicContact CD1-CB 3.83Å; F301-V380 HydrophobicContact CD1-CG1 3.94Å; F301-V380 HydrophobicContact CD1-CG2 3.89Å; F301-V380 HydrophobicContact CE1-CB 4.5Å; F301-V380 HydrophobicContact CE1-CG2 4.14Å; F301-V380 HydrophobicContact CG-CG1 4.24Å; L320-V380 HydrophobicContact CD2-CG1 4.32Å; L320-V380 HydrophobicContact CD2-CG2 4.22Å; L360-V380 PolarHBondContact O-N 2.8Å; V362-V380 HydrophobicContact CG2-CG2 4.05Å; V380-P388 HydrophobicContact CG1-CB 3.47Å; V380-P388 VanDerWaalsContact CG1-CB 3.47Å; V380-P388 HydrophobicContact CG1-CG 4.1Å
381	I	97.2	Very high	94	Very high	41 Å²	41	51.9 Å²	51.9	21%	0.21	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.7	-171.2	-54.9	169	0	0	0	109.3	R379 P388 L389 E391	R379-I381 HydrophobicContact CB-CG1 4.37Å; R379-I381 HydrophobicContact CG-CD1 4.42Å; R379-I381 HydrophobicContact CG-CG1 3.66Å; I381-P388 CarbonylContact O-C 3.58Å; I381-P388 WeakPolarHBondContact O-CA 3.38Å; I381-P388 WeakPolarHBondContact O-CB 3.34Å; I381-L389 HydrophobicContact CB-CB 4.3Å; I381-L389 HydrophobicContact CD1-CD2 4.29Å; I381-L389 PolarHBondContact N-O 3.13Å; I381-L389 PolarHBondContact O-N 3.39Å; I381-E391 HydrophobicContact CD1-CB 4.22Å
382	R	93.1	Very high	94.3	Very high	80 Å²	80	51.6 Å²	51.6	30%	0.302	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	140.6	177.2	-175.3	-176.2	-175.6	170.1	7.9	110.9	N302 R303 E359	N302-R382 PolarHBondContact O-NE 2.97Å; N302-R382 VanDerWaalsContact O-NE 3.12Å; R303-R382 VanDerWaalsContact CB-NH1 3.27Å; R303-R382 PolarHBondContact O-NH2 3.4Å; R303-R382 VanDerWaalsContact O-NH2 3.07Å; E359-R382 PolarHBondContact OE1-N 2.8Å; E359-R382 PolarHBondContact OE2-N 3.3Å
383	R	90.2	Very high	94.4	Very high	149 Å²	149	50 Å²	50	56%	0.562	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	136.1	168.5	-66.8	-176.1	63.2	-154.8	-1.2	110.6	H385 D387	R383-H385 PolarHBondContact O-N 2.69Å; R383-D387 WeakPolarHBondContact CD-O 3.48Å
384	E	80.8	Confident	94.4	Very high	147 Å²	147	51.5 Å²	51.5	69%	0.687	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	122.6	173.3	-165.6	174.8	-162.8	0	0	109.6	G386	E384-G386 VanDerWaalsContact C-N 3.32Å; E384-G386 PolarHBondContact O-N 3.38Å
385	H	76.7	Confident	94.5	Very high	86 Å²	86	50.3 Å²	50.3	40%	0.398	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	29.3	178.3	-44.9	-38.9	0	0	0	116.3	R383 Y585 R586	R383-H385 PolarHBondContact O-N 2.69Å; H385-Y585 PolarHBondContact CE1-O 2.63Å; H385-Y585 PolarHBondContact NE2-O 2.59Å; H385-R586 HydrophobicContact CB-CB 4.44Å; H385-R586 WeakPolarHBondContact ND1-CB 3.45Å
386	G	83.5	Confident	94.4	Very high	35 Å²	35	51 Å²	51	36%	0.361	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	174.5	174	0	0	0	0	0	112.4	E384	E384-G386 VanDerWaalsContact C-N 3.32Å; E384-G386 PolarHBondContact O-N 3.38Å
387	D	90.5	Very high	94.4	Very high	65 Å²	65	53.5 Å²	53.5	35%	0.348	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	144.1	174.2	-66.2	-10.7	0	0	0	110.3	R333 R383	R333-D387 IonicContact CZ-OD1 3.52Å; R333-D387 IonicContact CZ-OD2 3.71Å; R333-D387 IonicContact NH1-OD1 3.06Å; R333-D387 IonicContact NH1-OD2 3.48Å; R333-D387 PolarHBondContact NH1-OD2 2.9Å; R333-D387 IonicContact NH2-OD1 3.9Å; R333-D387 PolarHBondContact NH2-OD1 2.88Å; R333-D387 IonicContact NH2-OD2 3.49Å; R333-D387 PolarHBondContact NH2-OD2 3.01Å; R383-D387 WeakPolarHBondContact CD-O 3.48Å
388	P	95.8	Very high	94.4	Very high	10 Å²	10	53.4 Å²	53.4	7%	0.065	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	146.2	172.4	-26.1	34.6	0	0	0	112.4	N302 I335 V380 I381	N302-P388 HydrophobicContact CB-CG 3.72Å; I335-P388 HydrophobicContact CD1-CG 4.3Å; V380-P388 HydrophobicContact CG1-CB 3.47Å; V380-P388 VanDerWaalsContact CG1-CB 3.47Å; V380-P388 HydrophobicContact CG1-CG 4.1Å; I381-P388 CarbonylContact O-C 3.58Å; I381-P388 WeakPolarHBondContact O-CA 3.38Å; I381-P388 WeakPolarHBondContact O-CB 3.34Å
389	L	96.7	Very high	94.4	Very high	95 Å²	95	56.5 Å²	56.5	50%	0.497	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	130.4	167.1	177	67.5	0	0	0	108.6	I381	I381-L389 HydrophobicContact CB-CB 4.3Å; I381-L389 HydrophobicContact CD1-CD2 4.29Å; I381-L389 PolarHBondContact N-O 3.13Å; I381-L389 PolarHBondContact O-N 3.39Å
390	I	98.3	Very high	94.4	Very high	23 Å²	23	56.3 Å²	56.3	12%	0.118	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	109.6	176.3	-55.5	169.6	0	0	0	108.3	L320 I335 F340 F378 R379	L320-I390 HydrophobicContact CD2-CD1 3.69Å; L320-I390 HydrophobicContact CD2-CG1 4.18Å; I335-I390 WeakPolarHBondContact O-CD1 3.43Å; F340-I390 HydrophobicContact CB-CG2 4.13Å; F340-I390 HydrophobicContact CD2-CG2 3.48Å; F340-I390 VanDerWaalsContact CD2-CG2 3.48Å; F340-I390 HydrophobicContact CE2-CG2 4.21Å; F340-I390 HydrophobicContact CG-CG2 4.13Å; F378-I390 HydrophobicContact CB-CG2 4.14Å; F378-I390 HydrophobicContact CD1-CG2 3.86Å; F378-I390 HydrophobicContact CG-CG2 4.29Å; R379-I390 WeakPolarHBondContact O-CA 3.49Å
391	E	97.5	Very high	94.4	Very high	92 Å²	92	58.7 Å²	58.7	43%	0.43	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	134.2	179	-178.7	172.3	-167.7	0	0	110.4	F378 R379 I381 L393	F378-E391 CarbonylContact C-O 3.59Å; F378-E391 WeakPolarHBondContact CA-O 3.3Å; F378-E391 WeakPolarHBondContact CB-O 3.48Å; R379-E391 PolarHBondContact N-O 3.21Å; R379-E391 PolarHBondContact O-N 3.05Å; I381-E391 HydrophobicContact CD1-CB 4.22Å; E391-L393 HydrophobicContact CG-CD2 4.23Å
392	E	98.1	Very high	94.4	Very high	76 Å²	76	61.9 Å²	61.9	36%	0.355	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	123.2	174.4	-171.7	169.6	-143.1	0	0	109.2	K339 R376 F378	K339-E392 IonicContact NZ-OE2 3.91Å; K339-E392 PolarHBondContact NZ-OE2 2.64Å; R376-E392 IonicContact CZ-OE1 3.91Å; R376-E392 IonicContact NE-OE1 2.99Å; R376-E392 IonicContact NH2-OE1 2.72Å; R376-E392 PolarHBondContact NH2-OE1 3.17Å; F378-E392 HydrophobicContact CD1-CB 3.79Å; F378-E392 HydrophobicContact CD1-CG 4.17Å; F378-E392 HydrophobicContact CE1-CB 3.63Å; F378-E392 HydrophobicContact CE1-CG 3.74Å; F378-E392 HydrophobicContact CZ-CG 4.17Å
393	L	98	Very high	94.6	Very high	29 Å²	29	58.2 Å²	58.2	15%	0.152	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	168.1	-179.5	-61	-173.9	0	0	0	111.2	M35 E361 L377 R379 E391 P395	M35-L393 HydrophobicContact CE-CD1 3.89Å; E361-L393 HydrophobicContact CG-CD1 3.86Å; L377-L393 HydrophobicContact CB-CB 4.3Å; L377-L393 HydrophobicContact CD2-CB 3.8Å; L377-L393 HydrophobicContact CD2-CD1 3.92Å; L377-L393 HydrophobicContact CD2-CG 4.49Å; L377-L393 HydrophobicContact CG-CB 3.99Å; L377-L393 HydrophobicContact CG-CD1 4.18Å; L377-L393 PolarHBondContact O-N 3.16Å; R379-L393 HydrophobicContact CB-CD1 3.96Å; R379-L393 HydrophobicContact CB-CD2 4.35Å; R379-L393 HydrophobicContact CB-CG 4.15Å; E391-L393 HydrophobicContact CG-CD2 4.23Å; L393-P395 WeakPolarHBondContact O-CD 3.17Å
394	N	97.9	Very high	94.9	Very high	47 Å²	47	53.6 Å²	53.6	25%	0.251	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	111	171.4	176.9	12.2	0	0	0	109.8	A32 M35 G396	A32-N394 HydrophobicContact CB-CB 4.05Å; A32-N394 PolarHBondContact O-ND2 2.78Å; M35-N394 PolarHBondContact N-O 2.78Å; N394-G396 PolarHBondContact O-N 3.29Å; N394-G396 VanDerWaalsContact O-N 3.13Å; N394-G396 PolarHBondContact OD1-N 2.98Å
395	P	98.4	Very high	95.7	Very high	7 Å²	7	46.6 Å²	46.6	5%	0.045	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	-18	179.3	-20.6	32.6	0	0	0	114	F36 L377 L393 A398 L399	F36-P395 VanDerWaalsContact CB-O 3.31Å; F36-P395 WeakPolarHBondContact CB-O 3.22Å; F36-P395 WeakPolarHBondContact CD2-O 3.31Å; F36-P395 PolarHBondContact N-O 2.86Å; L377-P395 HydrophobicContact CB-CB 4.39Å; L377-P395 HydrophobicContact CB-CG 3.85Å; L393-P395 WeakPolarHBondContact O-CD 3.17Å; P395-A398 HydrophobicContact CB-CB 4.39Å; P395-L399 HydrophobicContact CB-CB 4.45Å; P395-L399 HydrophobicContact CG-CD1 4.08Å
396	G	98.3	Very high	96.6	Very high	17 Å²	17	42.6 Å²	42.6	18%	0.175	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.8	-131.5	-174.4	0	0	0	0	0	111.9	P34 N394 A398 L399	P34-G396 VanDerWaalsContact CB-CA 3.46Å; N394-G396 PolarHBondContact O-N 3.29Å; N394-G396 VanDerWaalsContact O-N 3.13Å; N394-G396 PolarHBondContact OD1-N 2.98Å; G396-A398 PolarHBondContact O-N 2.82Å; G396-L399 WeakPolarHBondContact O-CB 3.39Å; G396-L399 PolarHBondContact O-N 3.26Å; G396-L399 VanDerWaalsContact O-N 3.16Å
397	D	98.4	Very high	97.2	Very high	86 Å²	86	40.9 Å²	40.9	46%	0.46	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-67.6	-26.5	-178.4	-66.1	-25.8	0	0	0	112.3	F36 T37 A38 L399 F436	F36-D397 PolarHBondContact O-N 3.42Å; F36-D397 VanDerWaalsContact O-N 3.13Å; T37-D397 WeakPolarHBondContact CA-OD2 3.49Å; A38-D397 HydrophobicContact CB-CB 3.79Å; A38-D397 PolarHBondContact N-OD2 3.02Å; D397-L399 PolarHBondContact O-N 3.28Å; D397-F436 HydrophobicContact CB-CD1 4.26Å; D397-F436 HydrophobicContact CB-CE1 4.1Å
398	A	98.5	Very high	97.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-69.3	1.1	175.3	0	0	0	0	0	113.4	F36 F363 N375 P395 G396 E400 L421 F436	F36-A398 HydrophobicContact CB-CB 3.82Å; F36-A398 HydrophobicContact CD2-CB 3.67Å; F36-A398 HydrophobicContact CG-CB 3.99Å; F363-A398 HydrophobicContact CE2-CB 4.19Å; F363-A398 HydrophobicContact CZ-CB 4.44Å; N375-A398 VanDerWaalsContact CB-O 3.28Å; N375-A398 WeakPolarHBondContact CB-O 3.29Å; N375-A398 PolarHBondContact ND2-O 2.7Å; P395-A398 HydrophobicContact CB-CB 4.39Å; G396-A398 PolarHBondContact O-N 2.82Å; A398-E400 PolarHBondContact O-N 3.28Å; A398-L421 HydrophobicContact CB-CD2 4.32Å; A398-F436 HydrophobicContact CB-CD1 3.84Å; A398-F436 HydrophobicContact CB-CD2 4.08Å; A398-F436 HydrophobicContact CB-CE1 4.01Å; A398-F436 HydrophobicContact CB-CE2 4.23Å; A398-F436 HydrophobicContact CB-CG 3.89Å; A398-F436 HydrophobicContact CB-CZ 4.2Å
399	L	98.3	Very high	97.6	Very high	65 Å²	65	37.3 Å²	37.3	34%	0.34	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-60.7	-35.6	173.6	-172.8	74	0	0	0	111.9	A374 N375 P395 G396 D397 P401	A374-L399 CarbonylContact C-O 3.49Å; A374-L399 VanDerWaalsContact CA-O 3.31Å; A374-L399 WeakPolarHBondContact CA-O 3.44Å; A374-L399 HydrophobicContact CB-CD1 3.65Å; A374-L399 HydrophobicContact CB-CG 3.77Å; N375-L399 PolarHBondContact N-O 2.89Å; P395-L399 HydrophobicContact CB-CB 4.45Å; P395-L399 HydrophobicContact CG-CD1 4.08Å; G396-L399 WeakPolarHBondContact O-CB 3.39Å; G396-L399 PolarHBondContact O-N 3.26Å; G396-L399 VanDerWaalsContact O-N 3.16Å; D397-L399 PolarHBondContact O-N 3.28Å; L399-P401 VanDerWaalsContact O-N 3.12Å
400	E	97.9	Very high	97.6	Very high	31 Å²	31	33.1 Å²	33.1	15%	0.145	17%	0.171	C	C	.	.			trans	27.1	65	-179.8	-65.3	-169.2	129.1	0	0	114.6	A398 E402 G403 H425 S434 F436	A398-E400 PolarHBondContact O-N 3.28Å; E400-E402 PolarHBondContact O-N 2.97Å; E400-E402 VanDerWaalsContact O-N 3.11Å; E400-G403 WeakPolarHBondContact O-CA 3.4Å; E400-G403 PolarHBondContact O-N 2.77Å; E400-H425 IonicContact OE1-CE1 3.36Å; E400-H425 IonicContact OE1-NE2 2.76Å; E400-H425 IonicContact OE2-CE1 2.66Å; E400-H425 IonicContact OE2-NE2 3.81Å; E400-H425 PolarHBondContact OE2-NE2 2.97Å; E400-S434 WeakPolarHBondContact OE1-CB 3.46Å; E400-S434 PolarHBondContact OE1-OG 3.28Å; E400-F436 HydrophobicContact CG-CZ 3.89Å
401	P	97.8	Very high	97.6	Very high	52 Å²	52	32.1 Å²	32.1	34%	0.338	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.6	-175.1	23.3	-34.1	0	0	0	114	S372 S373 A374 L399	S372-P401 CarbonylContact C-O 3.53Å; S372-P401 VanDerWaalsContact CA-O 3.28Å; S372-P401 WeakPolarHBondContact CA-O 3.31Å; S372-P401 WeakPolarHBondContact OG-CB 3.4Å; S372-P401 PolarHBondContact OG-O 3.24Å; S373-P401 PolarHBondContact N-O 2.84Å; A374-P401 HydrophobicContact CB-CB 4.24Å; L399-P401 VanDerWaalsContact O-N 3.12Å
402	E	97.4	Very high	97.6	Very high	107 Å²	107	28.1 Å²	28.1	50%	0.5	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	8.9	175	-55.8	-54.3	131.3	0	0	112.4	S372 E400 R404	S372-E402 WeakPolarHBondContact CA-OE1 3.15Å; S372-E402 WeakPolarHBondContact CB-OE1 2.99Å; S372-E402 PolarHBondContact OG-OE1 3Å; E400-E402 PolarHBondContact O-N 2.97Å; E400-E402 VanDerWaalsContact O-N 3.11Å; E402-R404 PolarHBondContact O-NH1 2.89Å
403	G	97	Very high	97.5	Very high	3 Å²	3	25.2 Å²	25.2	3%	0.031	13%	0.134	C	C	.	.			trans	-70.6	137.7	-180	0	0	0	0	0	111.4	A368 E400 G405	A368-G403 VanDerWaalsContact CB-O 3.29Å; A368-G403 WeakPolarHBondContact CB-O 3.43Å; A368-G403 PolarHBondContact N-O 3.06Å; E400-G403 WeakPolarHBondContact O-CA 3.4Å; E400-G403 PolarHBondContact O-N 2.77Å; G403-G405 VanDerWaalsContact C-N 3.31Å; G403-G405 PolarHBondContact O-N 3.2Å
404	R	97	Very high	97.4	Very high	52 Å²	52	25.2 Å²	25.2	20%	0.196	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-98	53.2	179.2	-70.3	161.1	-175.4	62.7	9.4	111.1	I367 A368 E402 T406 H425 G426 S428	I367-R404 HydrophobicContact CG1-CB 4.2Å; A368-R404 WeakPolarHBondContact O-CG 3.22Å; E402-R404 PolarHBondContact O-NH1 2.89Å; R404-T406 PolarHBondContact O-N 2.85Å; R404-H425 HydrophobicContact CB-CB 4.45Å; R404-H425 VanDerWaalsContact O-CA 3.23Å; R404-H425 WeakPolarHBondContact O-CA 3.36Å; R404-G426 WeakPolarHBondContact CB-O 2.9Å; R404-G426 PolarHBondContact O-N 3.48Å; R404-S428 WeakPolarHBondContact CD-OG 3.15Å; R404-S428 VanDerWaalsContact CG-OG 3.26Å; R404-S428 WeakPolarHBondContact CG-OG 3.11Å; R404-S428 PolarHBondContact NE-OG 3.4Å
405	G	96.9	Very high	97.3	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	125.5	-171.8	0	0	0	0	0	112.5	R347 N365 N366 I367 G403 S424	R347-G405 WeakPolarHBondContact CG-O 3.34Å; N365-G405 VanDerWaalsContact OD1-C 3.27Å; N365-G405 VanDerWaalsContact OD1-CA 3.25Å; N365-G405 WeakPolarHBondContact OD1-CA 3.44Å; N366-G405 PolarHBondContact O-N 2.9Å; I367-G405 WeakPolarHBondContact CB-O 3.46Å; G403-G405 VanDerWaalsContact C-N 3.31Å; G403-G405 PolarHBondContact O-N 3.2Å; G405-S424 WeakPolarHBondContact CA-O 3.41Å
406	T	96	Very high	97.2	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	-22.6	-177.5	39.7	0	0	0	0	113.6	N56 Y57 N365 R404 S424 H425 E427	N56-T406 PolarHBondContact O-OG1 2.78Å; Y57-T406 HydrophobicContact CD1-CG2 4.17Å; Y57-T406 HydrophobicContact CE1-CG2 4.26Å; N365-T406 PolarHBondContact OD1-N 2.98Å; R404-T406 PolarHBondContact O-N 2.85Å; T406-S424 PolarHBondContact N-O 3.11Å; T406-S424 PolarHBondContact OG1-O 3.13Å; T406-S424 PolarHBondContact OG1-OG 2.92Å; T406-H425 WeakPolarHBondContact OG1-CA 3.43Å; T406-H425 PolarHBondContact OG1-N 2.51Å; T406-E427 HydrophobicContact CG2-CB 3.9Å
407	G	96.2	Very high	97.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	165.7	-174.1	0	0	0	0	0	110.1	T348 S424 C486	T348-G407 WeakPolarHBondContact OG1-CA 3.29Å; G407-S424 VanDerWaalsContact CA-OG 3.29Å; G407-S424 WeakPolarHBondContact CA-OG 3.43Å; G407-S424 PolarHBondContact N-OG 3.47Å; G407-S424 PolarHBondContact O-N 3.49Å; G407-S424 PolarHBondContact O-OG 3.04Å; G407-C486 WeakPolarHBondContact CA-SG 3.41Å
408	G	96.9	Very high	97.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	158.8	175.7	0	0	0	0	0	112.5	I422 C486 M488	G408-I422 CarbonylContact C-O 3.55Å; G408-I422 WeakPolarHBondContact CA-O 3.07Å; G408-C486 PolarHBondContact N-SG 3.34Å; G408-M488 WeakPolarHBondContact O-CE 3.44Å
409	V	97.8	Very high	97.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	162	178.6	-71.1	0	0	0	0	110.5	V59 V61 I72 I422 E487 M488	V59-V409 HydrophobicContact CB-CG1 3.85Å; V59-V409 HydrophobicContact CB-CG2 4.23Å; V59-V409 HydrophobicContact CG1-CB 4.29Å; V59-V409 HydrophobicContact CG1-CG1 3.83Å; V59-V409 HydrophobicContact CG1-CG2 3.49Å; V59-V409 VanDerWaalsContact CG1-CG2 3.49Å; V59-V409 WeakPolarHBondContact O-CG1 3.39Å; V61-V409 HydrophobicContact CG2-CB 3.89Å; V61-V409 HydrophobicContact CG2-CG1 4.11Å; V61-V409 HydrophobicContact CG2-CG2 3.79Å; I72-V409 HydrophobicContact CG2-CG2 4.29Å; V409-I422 HydrophobicContact CG2-CB 4.14Å; V409-I422 HydrophobicContact CG2-CD1 4.38Å; V409-I422 PolarHBondContact N-O 2.81Å; V409-I422 PolarHBondContact O-N 3.03Å; V409-E487 VanDerWaalsContact CG1-O 3.31Å; V409-E487 WeakPolarHBondContact CG1-O 3.29Å; V409-M488 HydrophobicContact CB-SD 4.28Å; V409-M488 HydrophobicContact CG1-CE 4.44Å; V409-M488 HydrophobicContact CG1-SD 4.34Å
410	V	97.5	Very high	97.1	Very high	7 Å²	7	21.1 Å²	21.1	4%	0.042	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.9	171.3	-179.6	0	0	0	0	108.8	I350 A352 F354 L419 D420 L421	I350-V410 HydrophobicContact CD1-CG2 4.3Å; I350-V410 HydrophobicContact CG2-CB 4.48Å; I350-V410 HydrophobicContact CG2-CG2 3.28Å; A352-V410 HydrophobicContact CB-CG1 4.14Å; A352-V410 HydrophobicContact CB-CG2 4.31Å; F354-V410 HydrophobicContact CE1-CB 4.45Å; F354-V410 HydrophobicContact CE1-CG1 3.83Å; F354-V410 HydrophobicContact CE1-CG2 3.66Å; F354-V410 HydrophobicContact CZ-CG1 4.48Å; F354-V410 HydrophobicContact CZ-CG2 3.64Å; V410-L419 HydrophobicContact CG1-CB 3.57Å; V410-L419 HydrophobicContact CG1-CD1 3.74Å; V410-L419 HydrophobicContact CG1-CD2 4.02Å; V410-L419 HydrophobicContact CG1-CG 3.98Å; V410-D420 WeakPolarHBondContact CA-O 2.95Å; V410-L421 HydrophobicContact CG2-CD1 4.09Å
411	T	97.4	Very high	97.1	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	151.2	175.9	-173.7	0	0	0	0	111.6	V61 I72 F413 D420 I422 E489	V61-T411 HydrophobicContact CG2-CG2 4.36Å; I72-T411 HydrophobicContact CD1-CG2 4.28Å; I72-T411 HydrophobicContact CG1-CG2 4.26Å; T411-F413 HydrophobicContact CG2-CB 4.11Å; T411-F413 HydrophobicContact CG2-CD1 4.09Å; T411-F413 PolarHBondContact O-N 3.37Å; T411-D420 PolarHBondContact N-O 3.48Å; T411-D420 VanDerWaalsContact N-O 3.09Å; T411-D420 WeakPolarHBondContact O-CB 3.3Å; T411-D420 PolarHBondContact O-N 2.91Å; T411-I422 HydrophobicContact CG2-CD1 3.79Å; T411-E489 VanDerWaalsContact CA-OE2 3.29Å; T411-E489 WeakPolarHBondContact CA-OE2 3.28Å; T411-E489 WeakPolarHBondContact CB-OE2 3.2Å; T411-E489 PolarHBondContact OG1-OE2 3.25Å
412	D	97.8	Very high	97.2	Very high	9 Å²	9	17.1 Å²	17.1	5%	0.048	10%	0.097	C	C	.	.			trans	-94.5	77.5	168.6	173.2	15.6	0	0	0	108.6	D414 G415 D416 G417 M418 L419 R448 E489	D412-D414 VanDerWaalsContact C-N 3.35Å; D412-G415 WeakPolarHBondContact OD1-CA 3.44Å; D412-G415 PolarHBondContact OD1-N 2.82Å; D412-D416 PolarHBondContact OD1-N 3.11Å; D412-G417 PolarHBondContact OD1-N 3.08Å; D412-G417 VanDerWaalsContact OD2-CA 3.22Å; D412-G417 WeakPolarHBondContact OD2-CA 3.49Å; D412-G417 PolarHBondContact OD2-N 2.86Å; D412-M418 WeakPolarHBondContact CB-O 3.08Å; D412-L419 HydrophobicContact CB-CD2 4.35Å; D412-R448 VanDerWaalsContact CB-CZ 3.43Å; D412-R448 IonicContact OD2-CZ 3.07Å; D412-R448 IonicContact OD2-NE 3.63Å; D412-E489 PolarHBondContact N-OE2 3.49Å
413	F	96.3	Very high	97.2	Very high	14 Å²	14	12 Å²	12	6%	0.061	7%	0.073	C	C	.	.	S	Bend	trans	-76.9	-18.2	-172.2	61.5	-108.2	0	0	0	113.8	V43 I72 Y86 L93 T411 D420 I422 V435	V43-F413 HydrophobicContact CG1-CE2 3.89Å; V43-F413 HydrophobicContact CG1-CZ 3.83Å; I72-F413 HydrophobicContact CD1-CD1 4.38Å; Y86-F413 WeakPolarHBondContact CB-O 3.28Å; Y86-F413 AromaticContact CD2-CD2 3.45Å; Y86-F413 HydrophobicContact CD2-CD2 3.45Å; Y86-F413 VanDerWaalsContact CD2-CD2 3.45Å; Y86-F413 AromaticContact CD2-CE2 3.56Å; Y86-F413 HydrophobicContact CD2-CE2 3.56Å; Y86-F413 HydrophobicContact CE2-CD2 4Å; Y86-F413 AromaticContact CE2-CE2 3.72Å; Y86-F413 HydrophobicContact CE2-CE2 3.72Å; Y86-F413 AromaticContact CG-CD2 3.75Å; Y86-F413 HydrophobicContact CG-CD2 3.75Å; Y86-F413 HydrophobicContact CG-CE2 4.31Å; L93-F413 HydrophobicContact CD1-CE1 4.35Å; L93-F413 HydrophobicContact CD1-CZ 4.4Å; L93-F413 HydrophobicContact CD2-CD2 4.28Å; L93-F413 HydrophobicContact CD2-CG 4.34Å; T411-F413 HydrophobicContact CG2-CB 4.11Å; T411-F413 HydrophobicContact CG2-CD1 4.09Å; T411-F413 PolarHBondContact O-N 3.37Å; F413-D420 HydrophobicContact CD1-CB 4.01Å; F413-D420 HydrophobicContact CE1-CB 3.5Å; F413-D420 WeakPolarHBondContact CE1-OD2 3.48Å; F413-D420 HydrophobicContact CZ-CB 4.28Å; F413-D420 WeakPolarHBondContact CZ-OD2 3.28Å; F413-I422 HydrophobicContact CD1-CD1 4.14Å; F413-I422 HydrophobicContact CE1-CD1 4.24Å; F413-V435 HydrophobicContact CE1-CG1 4Å; F413-V435 HydrophobicContact CZ-CG1 4.13Å
414	D	96.1	Very high	97.3	Very high	29 Å²	29	11.9 Å²	11.9	16%	0.155	7%	0.071	C	C	.	.	S	Bend	trans	-100.8	-7.9	176.9	68.4	-3.9	0	0	0	113.6	Y86 D412 R437	Y86-D414 HydrophobicContact CD1-CB 3.86Å; Y86-D414 HydrophobicContact CE1-CB 3.39Å; Y86-D414 HydrophobicContact CE2-CB 4.11Å; Y86-D414 HydrophobicContact CG-CB 4.39Å; D412-D414 VanDerWaalsContact C-N 3.35Å; D414-R437 IonicContact OD2-CZ 3.34Å; D414-R437 IonicContact OD2-NH1 3.74Å; D414-R437 PolarHBondContact OD2-NH1 2.84Å; D414-R437 IonicContact OD2-NH2 3.42Å; D414-R437 PolarHBondContact OD2-NH2 2.85Å
415	G	95.7	Very high	97.3	Very high	50 Å²	50	9.4 Å²	9.4	52%	0.515	6%	0.062	S	C	.	.	S	Bend	trans	78.8	28	170.9	0	0	0	0	0	113.1	D412	D412-G415 WeakPolarHBondContact OD1-CA 3.44Å; D412-G415 PolarHBondContact OD1-N 2.82Å
416	D	95.9	Very high	97.1	Very high	72 Å²	72	9.4 Å²	9.4	39%	0.385	6%	0.061	S	C	.	.	S	Bend	trans	-90.6	-6.8	179.9	82.3	-1.1	0	0	0	113.3	D412 M418	D412-D416 PolarHBondContact OD1-N 3.11Å; D416-M418 VanDerWaalsContact C-N 3.34Å; D416-M418 WeakPolarHBondContact OD1-CA 3.38Å; D416-M418 WeakPolarHBondContact OD1-CB 3.43Å; D416-M418 PolarHBondContact OD1-N 2.9Å
417	G	97	Very high	96.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	86.5	0.1	-179.9	0	0	0	0	0	115.3	N356 D412 H493	N356-G417 PolarHBondContact ND2-O 3.45Å; D412-G417 PolarHBondContact OD1-N 3.08Å; D412-G417 VanDerWaalsContact OD2-CA 3.22Å; D412-G417 WeakPolarHBondContact OD2-CA 3.49Å; D412-G417 PolarHBondContact OD2-N 2.86Å; G417-H493 PolarHBondContact O-CE1 2.95Å
418	M	97.7	Very high	96.4	Very high	9 Å²	9	15 Å²	15	4%	0.044	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-95.2	139.4	170.8	-58.4	-59.6	-55.7	0	0	108.9	F354 N356 D412 D416 Q440 F442	F354-M418 VanDerWaalsContact O-CE 3.3Å; F354-M418 WeakPolarHBondContact O-CE 3.31Å; N356-M418 PolarHBondContact ND2-SD 3.06Å; N356-M418 VanDerWaalsContact ND2-SD 3.39Å; D412-M418 WeakPolarHBondContact CB-O 3.08Å; D416-M418 VanDerWaalsContact C-N 3.34Å; D416-M418 WeakPolarHBondContact OD1-CA 3.38Å; D416-M418 WeakPolarHBondContact OD1-CB 3.43Å; D416-M418 PolarHBondContact OD1-N 2.9Å; M418-Q440 WeakPolarHBondContact CE-O 3.49Å; M418-F442 HydrophobicContact CE-CD1 4.44Å; M418-F442 HydrophobicContact CG-CD1 4.04Å; M418-F442 HydrophobicContact CG-CE1 4.41Å; M418-F442 HydrophobicContact SD-CD1 4.24Å
419	L	98.4	Very high	96.2	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.021	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-82.3	124.6	176.4	-69.6	-175.5	0	0	0	110.1	A352 F354 V410 D412 R448 H493	A352-L419 HydrophobicContact CB-CD1 3.92Å; F354-L419 HydrophobicContact CD1-CB 4.03Å; V410-L419 HydrophobicContact CG1-CB 3.57Å; V410-L419 HydrophobicContact CG1-CD1 3.74Å; V410-L419 HydrophobicContact CG1-CD2 4.02Å; V410-L419 HydrophobicContact CG1-CG 3.98Å; D412-L419 HydrophobicContact CB-CD2 4.35Å; L419-R448 VanDerWaalsContact CD2-NH1 3.31Å; L419-H493 HydrophobicContact CD1-CB 4.15Å; L419-H493 VanDerWaalsContact CD1-CD2 3.45Å; L419-H493 WeakPolarHBondContact CD1-CD2 3.3Å; L419-H493 HydrophobicContact CD2-CB 4.23Å
420	D	98.3	Very high	96.2	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	143.4	173.3	-74.7	-24.8	0	0	0	110.5	V410 T411 F413 F436 R437	V410-D420 WeakPolarHBondContact CA-O 2.95Å; T411-D420 PolarHBondContact N-O 3.48Å; T411-D420 VanDerWaalsContact N-O 3.09Å; T411-D420 WeakPolarHBondContact O-CB 3.3Å; T411-D420 PolarHBondContact O-N 2.91Å; F413-D420 HydrophobicContact CD1-CB 4.01Å; F413-D420 HydrophobicContact CE1-CB 3.5Å; F413-D420 WeakPolarHBondContact CE1-OD2 3.48Å; F413-D420 HydrophobicContact CZ-CB 4.28Å; F413-D420 WeakPolarHBondContact CZ-OD2 3.28Å; D420-F436 WeakPolarHBondContact CA-O 3.49Å; D420-R437 WeakPolarHBondContact OD1-CA 3.14Å; D420-R437 WeakPolarHBondContact OD1-CB 3.49Å; D420-R437 WeakPolarHBondContact OD1-CD 3.49Å; D420-R437 WeakPolarHBondContact OD1-CG 3.47Å; D420-R437 IonicContact OD1-NE 3.84Å; D420-R437 PolarHBondContact OD1-NE 3.06Å; D420-R437 IonicContact OD2-CZ 3.49Å; D420-R437 IonicContact OD2-NE 2.81Å; D420-R437 PolarHBondContact OD2-NE 2.78Å; D420-R437 IonicContact OD2-NH2 2.77Å; D420-R437 PolarHBondContact OD2-NH2 2.88Å
421	L	98.6	Very high	96.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.8	178.4	175.5	68.5	0	0	0	110	F36 I350 F354 F363 A398 V410 L423 V435 F436	F36-L421 HydrophobicContact CE1-CB 4.37Å; F36-L421 HydrophobicContact CE2-CD2 4.35Å; F36-L421 HydrophobicContact CZ-CD2 4.35Å; I350-L421 HydrophobicContact CD1-CD1 3.69Å; F354-L421 HydrophobicContact CE1-CB 4.23Å; F363-L421 HydrophobicContact CD1-CD2 4.26Å; F363-L421 HydrophobicContact CD2-CD2 4.29Å; F363-L421 HydrophobicContact CE1-CD2 3.97Å; F363-L421 HydrophobicContact CE2-CD2 3.99Å; F363-L421 HydrophobicContact CG-CD2 4.41Å; F363-L421 HydrophobicContact CZ-CD2 3.81Å; A398-L421 HydrophobicContact CB-CD2 4.32Å; V410-L421 HydrophobicContact CG2-CD1 4.09Å; L421-L423 HydrophobicContact CD1-CD2 3.85Å; L421-L423 HydrophobicContact CD1-CG 4.5Å; L421-L423 HydrophobicContact CD2-CD1 4.39Å; L421-L423 HydrophobicContact CD2-CD2 4.33Å; L421-L423 HydrophobicContact CD2-CG 4.35Å; L421-L423 HydrophobicContact CG-CD2 4.06Å; L421-L423 HydrophobicContact CG-CG 4.17Å; L421-V435 WeakPolarHBondContact O-CA 3.48Å; L421-F436 HydrophobicContact CB-CB 4.28Å; L421-F436 HydrophobicContact CD2-CD2 4.18Å; L421-F436 HydrophobicContact CG-CD2 4.31Å; L421-F436 PolarHBondContact N-O 3.26Å; L421-F436 PolarHBondContact O-N 2.99Å
422	I	98.5	Very high	96.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.8	176.3	-57.1	92.7	0	0	0	108.9	I72 G408 V409 T411 F413 S434 V435	I72-I422 HydrophobicContact CD1-CD1 3.97Å; I72-I422 HydrophobicContact CD1-CG1 4.09Å; G408-I422 CarbonylContact C-O 3.55Å; G408-I422 WeakPolarHBondContact CA-O 3.07Å; V409-I422 HydrophobicContact CG2-CB 4.14Å; V409-I422 HydrophobicContact CG2-CD1 4.38Å; V409-I422 PolarHBondContact N-O 2.81Å; V409-I422 PolarHBondContact O-N 3.03Å; T411-I422 HydrophobicContact CG2-CD1 3.79Å; F413-I422 HydrophobicContact CD1-CD1 4.14Å; F413-I422 HydrophobicContact CE1-CD1 4.24Å; I422-S434 WeakPolarHBondContact CA-O 3.27Å; I422-V435 HydrophobicContact CG1-CG1 4.27Å; I422-V435 HydrophobicContact CG1-CG2 4.26Å; I422-V435 HydrophobicContact CG2-CG2 4.48Å
423	L	98.3	Very high	96.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.9	179.7	-59.3	-176.6	0	0	0	110.8	F363 L421 L433 S434 F436	F363-L423 HydrophobicContact CE1-CD1 3.91Å; F363-L423 HydrophobicContact CE1-CD2 3.93Å; F363-L423 HydrophobicContact CZ-CD1 3.89Å; L421-L423 HydrophobicContact CD1-CD2 3.85Å; L421-L423 HydrophobicContact CD1-CG 4.5Å; L421-L423 HydrophobicContact CD2-CD1 4.39Å; L421-L423 HydrophobicContact CD2-CD2 4.33Å; L421-L423 HydrophobicContact CD2-CG 4.35Å; L421-L423 HydrophobicContact CG-CD2 4.06Å; L421-L423 HydrophobicContact CG-CG 4.17Å; L423-L433 WeakPolarHBondContact O-CA 3.5Å; L423-S434 PolarHBondContact N-O 2.94Å; L423-S434 PolarHBondContact O-N 3.12Å; L423-F436 HydrophobicContact CD1-CD2 4.45Å; L423-F436 HydrophobicContact CD1-CE2 3.81Å; L423-F436 HydrophobicContact CG-CD2 4.49Å; L423-F436 HydrophobicContact CG-CE2 4.1Å
424	S	98.1	Very high	96.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	153.8	168.7	76.3	0	0	0	0	111.3	Y57 G405 T406 G407	Y57-S424 VanDerWaalsContact O-CB 3.22Å; Y57-S424 WeakPolarHBondContact O-CB 3.28Å; Y57-S424 PolarHBondContact O-OG 2.87Å; G405-S424 WeakPolarHBondContact CA-O 3.41Å; T406-S424 PolarHBondContact N-O 3.11Å; T406-S424 PolarHBondContact OG1-O 3.13Å; T406-S424 PolarHBondContact OG1-OG 2.92Å; G407-S424 VanDerWaalsContact CA-OG 3.29Å; G407-S424 WeakPolarHBondContact CA-OG 3.43Å; G407-S424 PolarHBondContact N-OG 3.47Å; G407-S424 PolarHBondContact O-N 3.49Å; G407-S424 PolarHBondContact O-OG 3.04Å
425	H	97.6	Very high	96.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.5	-179.3	-55.5	100.9	0	0	0	111.4	N56 E400 R404 T406 Q431 P432 S434	N56-H425 PolarHBondContact N-O 2.78Å; N56-H425 CarbonylContact O-C 3.57Å; N56-H425 VanDerWaalsContact O-O 3.13Å; E400-H425 IonicContact OE1-CE1 3.36Å; E400-H425 IonicContact OE1-NE2 2.76Å; E400-H425 IonicContact OE2-CE1 2.66Å; E400-H425 IonicContact OE2-NE2 3.81Å; E400-H425 PolarHBondContact OE2-NE2 2.97Å; R404-H425 HydrophobicContact CB-CB 4.45Å; R404-H425 VanDerWaalsContact O-CA 3.23Å; R404-H425 WeakPolarHBondContact O-CA 3.36Å; T406-H425 WeakPolarHBondContact OG1-CA 3.43Å; T406-H425 PolarHBondContact OG1-N 2.51Å; H425-Q431 HydrophobicContact CB-CB 3.56Å; H425-Q431 HydrophobicContact CB-CG 3.69Å; H425-P432 PolarHBondContact ND1-O 3.44Å; H425-S434 PolarHBondContact CE1-OG 2.9Å; H425-S434 VanDerWaalsContact CE1-OG 3.32Å
426	G	93	Very high	96.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.121	C	C	.	.			trans	171.8	-142.1	177.5	0	0	0	0	0	113.7	R404 S428 M429	R404-G426 WeakPolarHBondContact CB-O 2.9Å; R404-G426 PolarHBondContact O-N 3.48Å; G426-S428 PolarHBondContact O-N 3.24Å; G426-M429 WeakPolarHBondContact CA-O 3.37Å
427	E	89.9	Confident	96.7	Very high	68 Å²	68	20.6 Å²	20.6	32%	0.318	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	-66.2	-176.8	-169.7	-177.5	77.1	0	0	115.5	Y57 R347 I367 T406	Y57-E427 HydrophobicContact CE1-CB 4.06Å; Y57-E427 VanDerWaalsContact OH-CA 3.3Å; Y57-E427 WeakPolarHBondContact OH-CA 3.38Å; R347-E427 IonicContact CZ-OE1 2.79Å; R347-E427 IonicContact CZ-OE2 2.72Å; R347-E427 IonicContact NE-OE1 3.34Å; R347-E427 IonicContact NE-OE2 3.51Å; R347-E427 IonicContact NH2-OE1 3.85Å; R347-E427 PolarHBondContact NH2-OE1 3.39Å; R347-E427 IonicContact NH2-OE2 2.9Å; R347-E427 PolarHBondContact NH2-OE2 2.79Å; I367-E427 HydrophobicContact CD1-CB 3.92Å; I367-E427 HydrophobicContact CD1-CG 4.36Å; I367-E427 WeakPolarHBondContact CD1-OE1 3.23Å; T406-E427 HydrophobicContact CG2-CB 3.9Å
428	S	87.9	Confident	96.6	Very high	50 Å²	50	20.7 Å²	20.7	35%	0.35	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-35.9	-176.9	60.1	0	0	0	0	113.1	R404 G426	R404-S428 WeakPolarHBondContact CD-OG 3.15Å; R404-S428 VanDerWaalsContact CG-OG 3.26Å; R404-S428 WeakPolarHBondContact CG-OG 3.11Å; R404-S428 PolarHBondContact NE-OG 3.4Å; G426-S428 PolarHBondContact O-N 3.24Å
429	M	93.2	Very high	96.5	Very high	114 Å²	114	22.8 Å²	22.8	56%	0.562	13%	0.125	S	C	*	.	S	Bend	trans	-156.2	154.2	173.5	-58.3	177.3	61.4	0	0	110	L55 G426	L55-M429 VanDerWaalsContact CD2-C 3.45Å; G426-M429 WeakPolarHBondContact CA-O 3.37Å
430	A	96.4	Very high	96.4	Very high	48 Å²	48	25.5 Å²	25.5	40%	0.397	14%	0.138	S	C	.	.			trans	-66.3	136.6	175.2	0	0	0	0	0	111.7	T53 Q54 L55	T53-A430 HydrophobicContact CG2-CB 3.98Å; Q54-A430 VanDerWaalsContact O-CA 3.31Å; Q54-A430 WeakPolarHBondContact O-CA 3.47Å; L55-A430 HydrophobicContact CD2-CB 4.31Å
431	Q	97.2	Very high	96.3	Very high	37 Å²	37	26 Å²	26	17%	0.173	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-155.1	140.8	179.2	175.5	-176.7	-11.3	0	0	109.1	Q54 H425	Q54-Q431 PolarHBondContact O-N 3.3Å; H425-Q431 HydrophobicContact CB-CB 3.56Å; H425-Q431 HydrophobicContact CB-CG 3.69Å
432	P	97.8	Very high	96.2	Very high	26 Å²	26	32.5 Å²	32.5	17%	0.169	17%	0.172	C	C	.	.			trans	-61	163.2	173.9	-21.2	32.9	0	0	0	112.8	P46 N51 T53 H425	P46-P432 HydrophobicContact CB-CB 4.25Å; P46-P432 HydrophobicContact CB-CG 3.93Å; P46-P432 HydrophobicContact CG-CB 4.07Å; P46-P432 HydrophobicContact CG-CG 3.98Å; N51-P432 WeakPolarHBondContact OD1-CB 3.13Å; T53-P432 WeakPolarHBondContact OG1-CG 3.29Å; H425-P432 PolarHBondContact ND1-O 3.44Å
433	L	98.5	Very high	96.1	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	21%	0.209	C	C	.	.			trans	-64.3	148.9	167.8	-55.1	174.7	0	0	0	110.8	T40 L44 N51 N56 V74 L82 L84 L423	T40-L433 VanDerWaalsContact CG2-O 3.23Å; T40-L433 WeakPolarHBondContact CG2-O 3.33Å; L44-L433 HydrophobicContact CD2-CB 4.17Å; L44-L433 HydrophobicContact CD2-CD1 4.05Å; N51-L433 PolarHBondContact ND2-O 3.1Å; N51-L433 VanDerWaalsContact ND2-O 3.1Å; N51-L433 WeakPolarHBondContact OD1-CB 3.21Å; N51-L433 PolarHBondContact OD1-N 2.6Å; N56-L433 HydrophobicContact CB-CD2 3.96Å; V74-L433 HydrophobicContact CG1-CD2 4.16Å; V74-L433 HydrophobicContact CG2-CD1 3.96Å; L82-L433 HydrophobicContact CD1-CD1 4.22Å; L84-L433 HydrophobicContact CD1-CD1 3.68Å; L423-L433 WeakPolarHBondContact O-CA 3.5Å
434	S	98.6	Very high	96.1	Very high	14 Å²	14	39.5 Å²	39.5	10%	0.098	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.9	170	-67.4	0	0	0	0	110.8	T40 E400 I422 L423 H425 F436	T40-S434 WeakPolarHBondContact OG1-CA 3.4Å; E400-S434 WeakPolarHBondContact OE1-CB 3.46Å; E400-S434 PolarHBondContact OE1-OG 3.28Å; I422-S434 WeakPolarHBondContact CA-O 3.27Å; L423-S434 PolarHBondContact N-O 2.94Å; L423-S434 PolarHBondContact O-N 3.12Å; H425-S434 PolarHBondContact CE1-OG 2.9Å; H425-S434 VanDerWaalsContact CE1-OG 3.32Å; S434-F436 VanDerWaalsContact CB-CE2 3.41Å; S434-F436 VanDerWaalsContact CB-CZ 3.48Å
435	V	98.8	Very high	96.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.2	177.1	-175	0	0	0	0	108.7	V39 T40 L44 L93 F413 L421 I422	V39-V435 HydrophobicContact CG2-CB 4.12Å; V39-V435 HydrophobicContact CG2-CG1 3.71Å; V39-V435 PolarHBondContact N-O 3.04Å; T40-V435 PolarHBondContact N-O 3.1Å; T40-V435 PolarHBondContact OG1-N 2.78Å; T40-V435 PolarHBondContact OG1-O 3.12Å; L44-V435 HydrophobicContact CB-CG2 4.02Å; L44-V435 HydrophobicContact CD2-CG2 3.94Å; L93-V435 HydrophobicContact CD1-CG2 4.35Å; F413-V435 HydrophobicContact CE1-CG1 4Å; F413-V435 HydrophobicContact CZ-CG1 4.13Å; L421-V435 WeakPolarHBondContact O-CA 3.48Å; I422-V435 HydrophobicContact CG1-CG1 4.27Å; I422-V435 HydrophobicContact CG1-CG2 4.26Å; I422-V435 HydrophobicContact CG2-CG2 4.48Å
436	F	98.8	Very high	96.1	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.009	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.5	-177.7	-53.7	-83.9	0	0	0	111.3	F36 T37 A38 D397 A398 E400 D420 L421 L423 S434	F36-F436 HydrophobicContact CB-CB 4.03Å; F36-F436 HydrophobicContact CD1-CB 4.28Å; F36-F436 HydrophobicContact CG-CB 4.35Å; T37-F436 WeakPolarHBondContact O-CA 3.44Å; A38-F436 HydrophobicContact CB-CD1 3.93Å; A38-F436 HydrophobicContact CB-CE1 3.84Å; D397-F436 HydrophobicContact CB-CD1 4.26Å; D397-F436 HydrophobicContact CB-CE1 4.1Å; A398-F436 HydrophobicContact CB-CD1 3.84Å; A398-F436 HydrophobicContact CB-CD2 4.08Å; A398-F436 HydrophobicContact CB-CE1 4.01Å; A398-F436 HydrophobicContact CB-CE2 4.23Å; A398-F436 HydrophobicContact CB-CG 3.89Å; A398-F436 HydrophobicContact CB-CZ 4.2Å; E400-F436 HydrophobicContact CG-CZ 3.89Å; D420-F436 WeakPolarHBondContact CA-O 3.49Å; L421-F436 HydrophobicContact CB-CB 4.28Å; L421-F436 HydrophobicContact CD2-CD2 4.18Å; L421-F436 HydrophobicContact CG-CD2 4.31Å; L421-F436 PolarHBondContact N-O 3.26Å; L421-F436 PolarHBondContact O-N 2.99Å; L423-F436 HydrophobicContact CD1-CD2 4.45Å; L423-F436 HydrophobicContact CD1-CE2 3.81Å; L423-F436 HydrophobicContact CG-CD2 4.49Å; L423-F436 HydrophobicContact CG-CE2 4.1Å; S434-F436 VanDerWaalsContact CB-CE2 3.41Å; S434-F436 VanDerWaalsContact CB-CZ 3.48Å
437	R	98	Very high	96.4	Very high	58 Å²	58	42.5 Å²	42.5	22%	0.219	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	148.9	173.5	-54.5	-151	157.7	170.5	-4.5	111.7	F36 T37 V39 D414 D420	F36-R437 VanDerWaalsContact CA-O 3.29Å; F36-R437 WeakPolarHBondContact CA-O 3.45Å; T37-R437 PolarHBondContact N-O 2.79Å; T37-R437 PolarHBondContact O-N 2.86Å; V39-R437 HydrophobicContact CB-CG 4.29Å; V39-R437 HydrophobicContact CG1-CB 4.47Å; V39-R437 HydrophobicContact CG1-CG 3.77Å; V39-R437 HydrophobicContact CG2-CG 3.58Å; D414-R437 IonicContact OD2-CZ 3.34Å; D414-R437 IonicContact OD2-NH1 3.74Å; D414-R437 PolarHBondContact OD2-NH1 2.84Å; D414-R437 IonicContact OD2-NH2 3.42Å; D414-R437 PolarHBondContact OD2-NH2 2.85Å; D420-R437 WeakPolarHBondContact OD1-CA 3.14Å; D420-R437 WeakPolarHBondContact OD1-CB 3.49Å; D420-R437 WeakPolarHBondContact OD1-CD 3.49Å; D420-R437 WeakPolarHBondContact OD1-CG 3.47Å; D420-R437 IonicContact OD1-NE 3.84Å; D420-R437 PolarHBondContact OD1-NE 3.06Å; D420-R437 IonicContact OD2-CZ 3.49Å; D420-R437 IonicContact OD2-NE 2.81Å; D420-R437 PolarHBondContact OD2-NE 2.78Å; D420-R437 IonicContact OD2-NH2 2.77Å; D420-R437 PolarHBondContact OD2-NH2 2.88Å
438	G	95.8	Very high	96.8	Very high	2 Å²	2	39.6 Å²	39.6	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	140.1	167.5	0	0	0	0	0	111.7	M35 F442	M35-G438 CarbonylContact O-C 3.46Å; M35-G438 WeakPolarHBondContact O-CA 3.19Å; G438-F442 WeakPolarHBondContact O-CE1 3.26Å; G438-F442 WeakPolarHBondContact O-CZ 3.46Å
439	N	95.3	Very high	97.3	Very high	54 Å²	54	37.2 Å²	37.2	29%	0.289	20%	0.202	S	C	.	.	S	Bend	trans	-100	-0.1	179.2	-72.8	-32.4	0	0	0	113.9	P34 M35 F36 T37 F442	P34-N439 PolarHBondContact O-ND2 2.87Å; M35-N439 WeakPolarHBondContact O-CB 3.23Å; M35-N439 PolarHBondContact O-N 3.01Å; F36-N439 PolarHBondContact O-ND2 3.13Å; T37-N439 WeakPolarHBondContact CB-OD1 3.17Å; T37-N439 PolarHBondContact N-ND2 3.12Å; T37-N439 PolarHBondContact OG1-ND2 2.83Å; T37-N439 PolarHBondContact OG1-OD1 3.32Å; N439-F442 WeakPolarHBondContact O-CE2 3.22Å
440	Q	95.3	Very high	97.6	Very high	60 Å²	60	32 Å²	32	28%	0.28	18%	0.176	S	C	.	.	S	Bend	trans	-137.7	163.7	-171.5	-63.8	176.5	67.6	0	0	108.4	D355 M418 F442	D355-Q440 HydrophobicContact CB-CB 3.99Å; M418-Q440 WeakPolarHBondContact CE-O 3.49Å; Q440-F442 PolarHBondContact O-N 2.99Å
441	G	96.2	Very high	97.7	Very high	13 Å²	13	29.7 Å²	29.7	13%	0.134	16%	0.157	C	C	.	.			trans	87.5	-3	174.5	0	0	0	0	0	117.2	D355 S443 N444	D355-G441 WeakPolarHBondContact O-CA 3.41Å; G441-S443 PolarHBondContact O-N 3.2Å; G441-N444 VanDerWaalsContact O-CB 3.27Å; G441-N444 WeakPolarHBondContact O-CB 3.43Å; G441-N444 PolarHBondContact O-N 2.86Å
442	F	96.1	Very high	97.7	Very high	135 Å²	135	29.3 Å²	29.3	59%	0.592	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-22.3	-175.4	-53.4	-70	0	0	0	115.9	M418 G438 N439 Q440	M418-F442 HydrophobicContact CE-CD1 4.44Å; M418-F442 HydrophobicContact CG-CD1 4.04Å; M418-F442 HydrophobicContact CG-CE1 4.41Å; M418-F442 HydrophobicContact SD-CD1 4.24Å; G438-F442 WeakPolarHBondContact O-CE1 3.26Å; G438-F442 WeakPolarHBondContact O-CZ 3.46Å; N439-F442 WeakPolarHBondContact O-CE2 3.22Å; Q440-F442 PolarHBondContact O-N 2.99Å
443	S	96.6	Very high	97.7	Very high	112 Å²	112	28.4 Å²	28.4	78%	0.783	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-1	178	65	0	0	0	0	113.7	G441	G441-S443 PolarHBondContact O-N 3.2Å
444	N	98.2	Very high	97.7	Very high	35 Å²	35	33.9 Å²	33.9	19%	0.187	17%	0.169	C	C	.	.	S	Bend	trans	-77.9	148	179.1	-70.3	-17.4	0	0	0	109.7	D355 N356 G441 G497	D355-N444 PolarHBondContact O-ND2 3.5Å; N356-N444 HydrophobicContact CB-CB 3.7Å; N356-N444 WeakPolarHBondContact O-CB 3.34Å; N356-N444 PolarHBondContact O-ND2 3.26Å; G441-N444 VanDerWaalsContact O-CB 3.27Å; G441-N444 WeakPolarHBondContact O-CB 3.43Å; G441-N444 PolarHBondContact O-N 2.86Å; N444-G497 CarbonylContact C-O 3.39Å; N444-G497 WeakPolarHBondContact CA-O 3.49Å
445	N	98.4	Very high	97.6	Very high	37 Å²	37	36.6 Å²	36.6	20%	0.198	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	150.2	170.7	-70.2	-30.7	0	0	0	109.7	L496 G497 D499 M523 N524	N445-L496 HydrophobicContact CB-CB 3.96Å; N445-L496 WeakPolarHBondContact O-CA 3.38Å; N445-L496 WeakPolarHBondContact O-CB 3.41Å; N445-L496 PolarHBondContact O-N 3.31Å; N445-G497 PolarHBondContact N-O 2.72Å; N445-D499 PolarHBondContact ND2-O 2.85Å; N445-M523 HydrophobicContact CB-CE 3.99Å; N445-N524 WeakPolarHBondContact CA-OD1 3.14Å; N445-N524 PolarHBondContact OD1-ND2 3.48Å
446	W	98.4	Very high	97.5	Very high	27 Å²	27	38.1 Å²	38.1	10%	0.102	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	162.6	174.3	58.6	-93.1	0	0	0	110.3	R448 F494 N524 S525 V526	W446-R448 HydrophobicContact CE3-CB 4.36Å; W446-R448 HydrophobicContact CE3-CG 3.79Å; W446-R448 HydrophobicContact CZ3-CB 4.06Å; W446-R448 HydrophobicContact CZ3-CG 3.77Å; W446-F494 CarbonylContact C-O 3.13Å; W446-F494 WeakPolarHBondContact CA-O 3.16Å; W446-N524 HydrophobicContact CD2-CB 4.44Å; W446-N524 VanDerWaalsContact CH2-C 3.48Å; W446-N524 VanDerWaalsContact CZ2-C 3.47Å; W446-N524 HydrophobicContact CZ2-CB 4.24Å; W446-N524 WeakPolarHBondContact CZ2-O 3.08Å; W446-N524 PolarHBondContact N-OD1 2.71Å; W446-N524 VanDerWaalsContact O-CA 3.27Å; W446-N524 WeakPolarHBondContact O-CA 3.26Å; W446-N524 PolarHBondContact O-N 2.89Å; W446-N524 PolarHBondContact O-OD1 3.34Å; W446-S525 VanDerWaalsContact CZ3-O 3.32Å; W446-S525 WeakPolarHBondContact CZ3-O 3.44Å; W446-V526 HydrophobicContact CZ3-CG2 4.5Å
447	L	98.6	Very high	97.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	134.4	169.5	-167.7	73.2	0	0	0	108.9	V449 L466 F494 L496 A501 V518 E522 L527	L447-V449 HydrophobicContact CD2-CG2 4.28Å; L447-V449 HydrophobicContact CG-CG2 4.41Å; L447-L466 HydrophobicContact CB-CD2 4.21Å; L447-L466 HydrophobicContact CD2-CD1 3.51Å; L447-L466 HydrophobicContact CD2-CD2 3.93Å; L447-L466 HydrophobicContact CD2-CG 4.4Å; L447-F494 PolarHBondContact N-O 3.41Å; L447-F494 WeakPolarHBondContact O-CB 3.39Å; L447-F494 PolarHBondContact O-N 3.06Å; L447-L496 HydrophobicContact CB-CD1 4.13Å; L447-A501 HydrophobicContact CD2-CB 4.02Å; L447-V518 HydrophobicContact CD1-CG1 4.48Å; L447-V518 HydrophobicContact CD2-CG1 4.13Å; L447-V518 HydrophobicContact CD2-CG2 4.18Å; L447-E522 WeakPolarHBondContact CD1-O 3.27Å; L447-L527 HydrophobicContact CD1-CD1 3.9Å; L447-L527 HydrophobicContact CD1-CG 4.05Å; L447-L527 HydrophobicContact CD2-CD1 3.9Å; L447-L527 HydrophobicContact CG-CD1 4.21Å
448	R	98.6	Very high	97.4	Very high	6 Å²	6	35.7 Å²	35.7	2%	0.023	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.3	177.5	-75.1	168.1	65.7	84.1	-0.5	108.8	D412 L419 W446 E489 V491 H493 S525 V526 L527	D412-R448 VanDerWaalsContact CB-CZ 3.43Å; D412-R448 IonicContact OD2-CZ 3.07Å; D412-R448 IonicContact OD2-NE 3.63Å; L419-R448 VanDerWaalsContact CD2-NH1 3.31Å; W446-R448 HydrophobicContact CE3-CB 4.36Å; W446-R448 HydrophobicContact CE3-CG 3.79Å; W446-R448 HydrophobicContact CZ3-CB 4.06Å; W446-R448 HydrophobicContact CZ3-CG 3.77Å; R448-E489 IonicContact CZ-OE1 3.02Å; R448-E489 IonicContact CZ-OE2 3.49Å; R448-E489 IonicContact NH1-OE1 3.86Å; R448-E489 PolarHBondContact NH1-OE1 2.99Å; R448-E489 IonicContact NH1-OE2 3.33Å; R448-E489 IonicContact NH2-OE1 3.82Å; R448-E489 PolarHBondContact NH2-OE1 2.87Å; R448-E489 IonicContact NH2-OE2 3.56Å; R448-E489 PolarHBondContact NH2-OE2 2.99Å; R448-V491 HydrophobicContact CB-CG1 3.78Å; R448-V491 HydrophobicContact CG-CG1 4.16Å; R448-H493 HydrophobicContact CG-CB 4.47Å; R448-H493 WeakPolarHBondContact CG-ND1 3.3Å; R448-H493 PolarHBondContact NH1-ND1 3.08Å; R448-S525 PolarHBondContact N-O 2.79Å; R448-V526 HydrophobicContact CB-CB 4.43Å; R448-V526 HydrophobicContact CB-CG1 4.38Å; R448-V526 HydrophobicContact CB-CG2 4.02Å; R448-V526 CarbonylContact O-C 3.1Å; R448-V526 WeakPolarHBondContact O-CA 3.32Å; R448-L527 PolarHBondContact O-N 2.92Å
449	V	98.8	Very high	97.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124	-176.2	-176.8	0	0	0	0	109.9	L447 P451 V464 A492 F494 V504 V506 L527 I529	L447-V449 HydrophobicContact CD2-CG2 4.28Å; L447-V449 HydrophobicContact CG-CG2 4.41Å; V449-P451 WeakPolarHBondContact O-CD 3.31Å; V449-V464 HydrophobicContact CB-CG1 4.08Å; V449-V464 HydrophobicContact CG1-CG1 3.91Å; V449-V464 HydrophobicContact CG2-CG1 4.43Å; V449-A492 HydrophobicContact CB-CB 4.28Å; V449-A492 PolarHBondContact N-O 2.8Å; V449-A492 PolarHBondContact O-N 3.2Å; V449-F494 HydrophobicContact CB-CE2 4.44Å; V449-F494 HydrophobicContact CG2-CD2 4.29Å; V449-F494 HydrophobicContact CG2-CE2 4.03Å; V449-V504 HydrophobicContact CG1-CG2 4.18Å; V449-V504 HydrophobicContact CG2-CG2 4.1Å; V449-V506 HydrophobicContact CG1-CG2 4.49Å; V449-L527 CarbonylContact C-O 3.58Å; V449-L527 WeakPolarHBondContact CA-O 3.39Å; V449-I529 HydrophobicContact CG1-CG1 3.65Å
450	V	98.5	Very high	97.7	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.024	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	94.5	-179.3	-175.3	0	0	0	0	108.8	F458 V491 V526 L527 E528 I529	V450-F458 HydrophobicContact CG1-CD1 3.62Å; V450-F458 HydrophobicContact CG1-CE1 3.8Å; V450-V491 HydrophobicContact CG2-CG1 4.15Å; V450-V491 HydrophobicContact CG2-CG2 4.06Å; V450-V526 HydrophobicContact CG2-CG1 3.66Å; V450-L527 PolarHBondContact N-O 3.4Å; V450-E528 HydrophobicContact CB-CG 4.3Å; V450-E528 WeakPolarHBondContact O-CA 3.45Å; V450-I529 PolarHBondContact O-N 2.83Å
451	P	98.5	Very high	97.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	137	175.1	32.4	-34.1	0	0	0	110.6	V449 A459 A462 V464 I478 V506 I529	V449-P451 WeakPolarHBondContact O-CD 3.31Å; P451-A459 HydrophobicContact CB-CB 4.04Å; P451-A459 HydrophobicContact CG-CB 4.13Å; P451-A459 WeakPolarHBondContact O-CB 3.49Å; P451-A459 PolarHBondContact O-N 2.81Å; P451-A462 HydrophobicContact CG-CB 4.2Å; P451-V464 HydrophobicContact CG-CG2 4.09Å; P451-I478 HydrophobicContact CG-CD1 3.74Å; P451-I478 HydrophobicContact CG-CG1 3.41Å; P451-I478 VanDerWaalsContact CG-CG1 3.41Å; P451-V506 HydrophobicContact CB-CG1 3.63Å; P451-V506 HydrophobicContact CB-CG2 4.32Å; P451-V506 HydrophobicContact CG-CG1 4.45Å; P451-I529 CarbonylContact C-O 3.6Å; P451-I529 WeakPolarHBondContact CA-O 3.5Å
452	R	98.3	Very high	97.9	Very high	29 Å²	29	29.7 Å²	29.7	11%	0.109	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-104.6	148	177.9	-57.6	-62	-163.8	162.5	-13.6	111.3	G456 A457 F458 W508 E528 I529 L530 Y531	R452-G456 WeakPolarHBondContact CD-O 3.32Å; R452-G456 PolarHBondContact NH1-O 2.85Å; R452-A457 CarbonylContact C-O 3.58Å; R452-A457 WeakPolarHBondContact CA-O 3.41Å; R452-F458 VanDerWaalsContact CZ-CE1 3.42Å; R452-W508 PolarHBondContact O-NE1 2.91Å; R452-E528 IonicContact CZ-OE1 3.41Å; R452-E528 IonicContact CZ-OE2 2.69Å; R452-E528 IonicContact NE-OE1 3.3Å; R452-E528 IonicContact NE-OE2 3.78Å; R452-E528 PolarHBondContact NE-OE2 2.91Å; R452-E528 VanDerWaalsContact NE-OE2 3.11Å; R452-E528 IonicContact NH2-OE1 3.34Å; R452-E528 PolarHBondContact NH2-OE1 2.8Å; R452-E528 IonicContact NH2-OE2 2.71Å; R452-E528 PolarHBondContact NH2-OE2 3.19Å; R452-I529 PolarHBondContact N-O 2.03Å; R452-L530 HydrophobicContact CB-CD2 4.07Å; R452-L530 HydrophobicContact CG-CD2 3.83Å; R452-Y531 PolarHBondContact O-N 3.38Å
453	T	98.2	Very high	98	Very high	7 Å²	7	25.2 Å²	25.2	4%	0.043	13%	0.133	C	C	.	.			trans	-71.4	174.3	169.3	74.1	0	0	0	0	110.4	Y192 F455 G456 A457 F458 A459	Y192-T453 HydrophobicContact CE2-CG2 4.09Å; T453-F455 PolarHBondContact O-N 2.93Å; T453-F455 VanDerWaalsContact O-N 3.17Å; T453-F455 PolarHBondContact OG1-N 2.89Å; T453-F455 VanDerWaalsContact OG1-N 3.16Å; T453-G456 PolarHBondContact O-N 3.42Å; T453-G456 VanDerWaalsContact O-N 3.13Å; T453-G456 PolarHBondContact OG1-N 3.16Å; T453-A457 HydrophobicContact CG2-CB 4.42Å; T453-A457 PolarHBondContact N-O 3Å; T453-A457 PolarHBondContact OG1-N 2.8Å; T453-F458 WeakPolarHBondContact CG2-O 3.12Å; T453-A459 HydrophobicContact CG2-CB 4.14Å
454	R	96.8	Very high	98.1	Very high	117 Å²	117	19.9 Å²	19.9	44%	0.442	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.8	172.1	66.8	-179.4	65	176.5	6.6	114.2	S189 D510 Y531	S189-R454 VanDerWaalsContact O-CD 3.3Å; S189-R454 WeakPolarHBondContact O-CD 3.45Å; S189-R454 PolarHBondContact O-NE 3.18Å; R454-D510 IonicContact NH2-OD2 2.88Å; R454-D510 PolarHBondContact NH2-OD2 3.28Å; R454-Y531 HydrophobicContact CB-CD1 3.54Å; R454-Y531 HydrophobicContact CB-CD2 4.45Å; R454-Y531 HydrophobicContact CB-CE1 3.87Å; R454-Y531 HydrophobicContact CB-CG 3.85Å; R454-Y531 PolarHBondContact NH2-OH 3.36Å
455	F	96.9	Very high	98.1	Very high	70 Å²	70	18.4 Å²	18.4	31%	0.307	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-9.8	178.3	-56.8	-66.8	0	0	0	112.6	G125 G127 S189 R191 T453	G125-F455 VanDerWaalsContact CA-CD2 3.49Å; G125-F455 WeakPolarHBondContact O-CB 3.29Å; G125-F455 WeakPolarHBondContact O-CD1 2.9Å; G125-F455 WeakPolarHBondContact O-CG 3.33Å; G127-F455 WeakPolarHBondContact CA-O 3.13Å; S189-F455 VanDerWaalsContact O-CE2 3.3Å; S189-F455 WeakPolarHBondContact O-CE2 3.46Å; R191-F455 HydrophobicContact CG-CD2 4.45Å; R191-F455 HydrophobicContact CG-CE2 3.81Å; R191-F455 HydrophobicContact CG-CZ 4.43Å; T453-F455 PolarHBondContact O-N 2.93Å; T453-F455 VanDerWaalsContact O-N 3.17Å; T453-F455 PolarHBondContact OG1-N 2.89Å; T453-F455 VanDerWaalsContact OG1-N 3.16Å
456	G	96.9	Very high	98	Very high	33 Å²	33	16.6 Å²	16.6	34%	0.34	8%	0.079	S	C	.	.	S	Bend	trans	99.9	-8.4	179	0	0	0	0	0	114.7	R452 T453	R452-G456 WeakPolarHBondContact CD-O 3.32Å; R452-G456 PolarHBondContact NH1-O 2.85Å; T453-G456 PolarHBondContact O-N 3.42Å; T453-G456 VanDerWaalsContact O-N 3.13Å; T453-G456 PolarHBondContact OG1-N 3.16Å
457	A	97.8	Very high	98	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.008	8%	0.075	C	C	.	.	S	Bend	trans	-69.5	171.9	172.4	0	0	0	0	0	111.7	D122 G127 R452 T453	D122-A457 HydrophobicContact CB-CB 3.34Å; D122-A457 VanDerWaalsContact OD2-CB 3.28Å; D122-A457 WeakPolarHBondContact OD2-CB 3.45Å; G127-A457 WeakPolarHBondContact O-CA 3.32Å; G127-A457 PolarHBondContact O-N 2.94Å; R452-A457 CarbonylContact C-O 3.58Å; R452-A457 WeakPolarHBondContact CA-O 3.41Å; T453-A457 HydrophobicContact CG2-CB 4.42Å; T453-A457 PolarHBondContact N-O 3Å; T453-A457 PolarHBondContact OG1-N 2.8Å
458	F	98.3	Very high	97.8	Very high	8 Å²	8	15.6 Å²	15.6	4%	0.035	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	-70.8	136.7	175.7	-54.9	-68.5	0	0	0	111.8	D63 F70 E129 Y192 V450 R452 T453 R460 P490	D63-F458 HydrophobicContact CB-CE2 4.06Å; D63-F458 HydrophobicContact CB-CZ 3.96Å; F70-F458 HydrophobicContact CD1-CZ 4.29Å; F70-F458 HydrophobicContact CE1-CD1 4.49Å; F70-F458 AromaticContact CE1-CE1 3.64Å; F70-F458 HydrophobicContact CE1-CE1 3.64Å; F70-F458 HydrophobicContact CE1-CE2 4.01Å; F70-F458 AromaticContact CE1-CZ 3.4Å; F70-F458 HydrophobicContact CE1-CZ 3.4Å; F70-F458 AromaticContact CZ-CE1 3.96Å; F70-F458 HydrophobicContact CZ-CE1 3.96Å; F70-F458 HydrophobicContact CZ-CZ 4.17Å; E129-F458 HydrophobicContact CG-CD2 4.11Å; Y192-F458 PolarHBondContact OH-O 2.91Å; V450-F458 HydrophobicContact CG1-CD1 3.62Å; V450-F458 HydrophobicContact CG1-CE1 3.8Å; R452-F458 VanDerWaalsContact CZ-CE1 3.42Å; T453-F458 WeakPolarHBondContact CG2-O 3.12Å; F458-R460 VanDerWaalsContact C-N 3.29Å; F458-R460 PolarHBondContact O-N 3.35Å; F458-P490 HydrophobicContact CB-CB 3.55Å; F458-P490 HydrophobicContact CB-CG 3.92Å; F458-P490 HydrophobicContact CD1-CB 4.11Å; F458-P490 HydrophobicContact CD1-CG 3.7Å; F458-P490 HydrophobicContact CD2-CB 4.22Å; F458-P490 HydrophobicContact CD2-CG 3.62Å; F458-P490 HydrophobicContact CE1-CG 4.11Å; F458-P490 HydrophobicContact CE2-CG 4.07Å; F458-P490 HydrophobicContact CG-CB 3.7Å; F458-P490 HydrophobicContact CG-CG 3.45Å; F458-P490 VanDerWaalsContact CG-CG 3.45Å; F458-P490 HydrophobicContact CZ-CG 4.31Å
459	A	98.3	Very high	97.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.087	C	C	.	.			trans	-85.8	65.3	-177.8	0	0	0	0	0	112.1	P451 T453 A462 I478	P451-A459 HydrophobicContact CB-CB 4.04Å; P451-A459 HydrophobicContact CG-CB 4.13Å; P451-A459 WeakPolarHBondContact O-CB 3.49Å; P451-A459 PolarHBondContact O-N 2.81Å; T453-A459 HydrophobicContact CG2-CB 4.14Å; A459-A462 HydrophobicContact CB-CB 3.94Å; A459-A462 WeakPolarHBondContact O-CB 3.36Å; A459-A462 PolarHBondContact O-N 2.76Å; A459-I478 WeakPolarHBondContact O-CB 3.28Å
460	R	97.8	Very high	97.3	Very high	1 Å²	1	25 Å²	25	0%	0.004	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	137.3	172.1	-59.1	-173.4	-178.1	-92.6	9.7	111.7	V61 A120 E129 Y192 F458 A462 I478 D479 E487 M488	V61-R460 PolarHBondContact O-NH2 2.88Å; A120-R460 WeakPolarHBondContact O-CD 3.5Å; A120-R460 PolarHBondContact O-NE 2.83Å; A120-R460 PolarHBondContact O-NH2 3.29Å; E129-R460 IonicContact OE1-CZ 2.7Å; E129-R460 IonicContact OE1-NE 3.5Å; E129-R460 PolarHBondContact OE1-NE 3.25Å; E129-R460 IonicContact OE1-NH2 2.78Å; E129-R460 IonicContact OE2-CZ 2.74Å; E129-R460 IonicContact OE2-NE 3.05Å; E129-R460 IonicContact OE2-NH2 3.46Å; E129-R460 PolarHBondContact OE2-NH2 2.89Å; Y192-R460 HydrophobicContact CE1-CB 3.73Å; Y192-R460 WeakPolarHBondContact CE1-O 3.02Å; Y192-R460 PolarHBondContact OH-N 2.88Å; Y192-R460 PolarHBondContact OH-O 3.13Å; F458-R460 VanDerWaalsContact C-N 3.29Å; F458-R460 PolarHBondContact O-N 3.35Å; R460-A462 VanDerWaalsContact C-N 3.29Å; R460-I478 HydrophobicContact CG-CG2 4.33Å; R460-D479 WeakPolarHBondContact CD-O 3.32Å; R460-D479 VanDerWaalsContact CG-O 3.3Å; R460-D479 WeakPolarHBondContact CG-O 3.34Å; R460-D479 PolarHBondContact NH1-O 3.33Å; R460-E487 VanDerWaalsContact CD-OE1 3.22Å; R460-E487 WeakPolarHBondContact CD-OE1 3.44Å; R460-E487 IonicContact CZ-OE1 3.61Å; R460-E487 IonicContact CZ-OE2 3.74Å; R460-E487 IonicContact NE-OE1 3.97Å; R460-E487 PolarHBondContact NE-OE1 2.96Å; R460-E487 IonicContact NH1-OE1 3.43Å; R460-E487 PolarHBondContact NH1-OE1 3.25Å; R460-E487 VanDerWaalsContact NH1-OE1 3.14Å; R460-E487 IonicContact NH1-OE2 3.96Å; R460-E487 IonicContact NH2-OE2 3.02Å; R460-M488 PolarHBondContact NH1-O 2.92Å
461	G	97.2	Very high	97	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.01	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	-6.2	-170.8	0	0	0	0	0	115	I478	G461-I478 WeakPolarHBondContact CA-O 3.43Å; G461-I478 PolarHBondContact N-O 3.5Å
462	A	98.4	Very high	96.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.			trans	-68.5	147.7	175.3	0	0	0	0	0	111.7	P451 A459 R460 I477 I478 V506 T507	P451-A462 HydrophobicContact CG-CB 4.2Å; A459-A462 HydrophobicContact CB-CB 3.94Å; A459-A462 WeakPolarHBondContact O-CB 3.36Å; A459-A462 PolarHBondContact O-N 2.76Å; R460-A462 VanDerWaalsContact C-N 3.29Å; A462-I477 WeakPolarHBondContact O-CA 3.25Å; A462-I478 HydrophobicContact CB-CG1 4.16Å; A462-I478 PolarHBondContact O-N 2.79Å; A462-V506 HydrophobicContact CB-CG1 4.44Å; A462-T507 WeakPolarHBondContact CA-O 3.34Å
463	K	98.2	Very high	96.5	Very high	41 Å²	41	25.6 Å²	25.6	18%	0.178	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	127.3	174	-179.8	179	69.9	-169.8	0	109.3	P248 N252 V465 L475 V506 T507	P248-K463 HydrophobicContact CG-CB 4.12Å; P248-K463 HydrophobicContact CG-CD 4.48Å; N252-K463 PolarHBondContact O-NZ 3.05Å; K463-V465 HydrophobicContact CG-CG2 4.38Å; K463-L475 HydrophobicContact CD-CD1 3.92Å; K463-L475 HydrophobicContact CD-CG 4.34Å; K463-L475 HydrophobicContact CG-CD1 4.21Å; K463-L475 HydrophobicContact CG-CD2 4.38Å; K463-L475 HydrophobicContact CG-CG 4.07Å; K463-V506 WeakPolarHBondContact O-CA 3.25Å; K463-T507 PolarHBondContact N-O 3.19Å; K463-T507 PolarHBondContact O-N 2.77Å
464	V	98.6	Very high	96.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.6	177.5	-173.2	0	0	0	0	108.8	V449 P451 L475 R476 I478 A492 F494 V504 E505 V506	V449-V464 HydrophobicContact CB-CG1 4.08Å; V449-V464 HydrophobicContact CG1-CG1 3.91Å; V449-V464 HydrophobicContact CG2-CG1 4.43Å; P451-V464 HydrophobicContact CG-CG2 4.09Å; V464-L475 WeakPolarHBondContact O-CA 3.31Å; V464-R476 PolarHBondContact N-O 2.99Å; V464-R476 PolarHBondContact O-N 3.27Å; V464-I478 HydrophobicContact CG2-CD1 3.98Å; V464-I478 HydrophobicContact CG2-CG1 4.22Å; V464-A492 HydrophobicContact CB-CB 3.69Å; V464-A492 HydrophobicContact CG1-CB 3.97Å; V464-A492 HydrophobicContact CG2-CB 3.77Å; V464-F494 HydrophobicContact CB-CZ 4.25Å; V464-F494 HydrophobicContact CG1-CE2 3.87Å; V464-F494 HydrophobicContact CG1-CZ 3.86Å; V464-V504 HydrophobicContact CG1-CG2 3.85Å; V464-E505 CarbonylContact C-O 3.49Å; V464-E505 WeakPolarHBondContact CA-O 3.13Å; V464-V506 HydrophobicContact CG1-CG2 4.29Å; V464-V506 HydrophobicContact CG2-CG2 4.25Å
465	V	97.9	Very high	96.5	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.024	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.2	175	-175.9	0	0	0	0	108.7	K463 Y467 A473 H474 L475 V504 E505	K463-V465 HydrophobicContact CG-CG2 4.38Å; V465-Y467 HydrophobicContact CB-CE2 4.33Å; V465-Y467 HydrophobicContact CG1-CD2 4.37Å; V465-Y467 HydrophobicContact CG1-CE1 4.13Å; V465-Y467 HydrophobicContact CG1-CE2 3.79Å; V465-A473 HydrophobicContact CG1-CB 3.92Å; V465-H474 CarbonylContact C-O 3.59Å; V465-H474 VanDerWaalsContact CA-O 3.3Å; V465-H474 WeakPolarHBondContact CA-O 3.4Å; V465-L475 HydrophobicContact CG2-CG 4.37Å; V465-V504 WeakPolarHBondContact O-CA 3.36Å; V465-E505 HydrophobicContact CB-CB 4.48Å; V465-E505 PolarHBondContact N-O 2.94Å; V465-E505 PolarHBondContact O-N 3.38Å
466	L	97.9	Very high	96.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	121.8	173.5	-170.5	70.3	0	0	0	109.4	L447 A473 H474 F494 L496 A501 V504 V518	L447-L466 HydrophobicContact CB-CD2 4.21Å; L447-L466 HydrophobicContact CD2-CD1 3.51Å; L447-L466 HydrophobicContact CD2-CD2 3.93Å; L447-L466 HydrophobicContact CD2-CG 4.4Å; L466-A473 CarbonylContact O-C 3.52Å; L466-A473 WeakPolarHBondContact O-CA 3.45Å; L466-H474 PolarHBondContact N-O 3.15Å; L466-H474 PolarHBondContact O-N 3.01Å; L466-F494 HydrophobicContact CB-CD1 3.78Å; L466-F494 HydrophobicContact CB-CD2 4.08Å; L466-F494 HydrophobicContact CB-CE1 3.63Å; L466-F494 HydrophobicContact CB-CE2 3.94Å; L466-F494 HydrophobicContact CB-CG 4Å; L466-F494 HydrophobicContact CB-CZ 3.71Å; L466-F494 HydrophobicContact CD2-CB 3.59Å; L466-F494 HydrophobicContact CD2-CD1 3.98Å; L466-F494 HydrophobicContact CD2-CD2 3.77Å; L466-F494 HydrophobicContact CD2-CE2 4.43Å; L466-F494 HydrophobicContact CD2-CG 3.5Å; L466-F494 HydrophobicContact CG-CD2 4.48Å; L466-F494 HydrophobicContact CG-CG 4.4Å; L466-L496 HydrophobicContact CD2-CD1 4.22Å; L466-L496 HydrophobicContact CD2-CD2 3.85Å; L466-A501 HydrophobicContact CD1-CB 3.87Å; L466-A501 HydrophobicContact CD2-CB 4.09Å; L466-A501 HydrophobicContact CG-CB 4.14Å; L466-V504 HydrophobicContact CD1-CB 3.86Å; L466-V504 HydrophobicContact CD1-CG2 4.21Å; L466-V518 HydrophobicContact CD1-CG2 4.3Å
467	Y	97	Very high	96.6	Very high	5 Å²	5	17.2 Å²	17.2	2%	0.02	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	136.5	172.8	-60.4	-85.4	0	0	0	109.5	V465 A473 S502 S503 E505 C546 F550 C558	V465-Y467 HydrophobicContact CB-CE2 4.33Å; V465-Y467 HydrophobicContact CG1-CD2 4.37Å; V465-Y467 HydrophobicContact CG1-CE1 4.13Å; V465-Y467 HydrophobicContact CG1-CE2 3.79Å; Y467-A473 HydrophobicContact CD1-CB 3.83Å; Y467-A473 HydrophobicContact CE1-CB 3.75Å; Y467-S502 PolarHBondContact O-N 2.98Å; Y467-S502 PolarHBondContact O-OG 2.81Å; Y467-S502 VanDerWaalsContact O-OG 3.12Å; Y467-S503 PolarHBondContact N-O 2.96Å; Y467-S503 PolarHBondContact O-N 3.49Å; Y467-E505 HydrophobicContact CE2-CB 4.16Å; Y467-C546 WeakPolarHBondContact CB-O 3.41Å; Y467-C546 WeakPolarHBondContact CD1-O 3.37Å; Y467-F550 HydrophobicContact CD1-CB 4.36Å; Y467-F550 HydrophobicContact CD1-CD1 4.42Å; Y467-F550 AromaticContact CD1-CD2 3.9Å; Y467-F550 HydrophobicContact CD1-CD2 3.9Å; Y467-F550 HydrophobicContact CD1-CE2 4.35Å; Y467-F550 AromaticContact CD1-CG 3.97Å; Y467-F550 HydrophobicContact CD1-CG 3.97Å; Y467-F550 HydrophobicContact CE1-CB 4.22Å; Y467-F550 AromaticContact CE1-CD1 3.67Å; Y467-F550 HydrophobicContact CE1-CD1 3.67Å; Y467-F550 AromaticContact CE1-CD2 3.94Å; Y467-F550 HydrophobicContact CE1-CD2 3.94Å; Y467-F550 HydrophobicContact CE1-CE1 4.01Å; Y467-F550 HydrophobicContact CE1-CE2 4.26Å; Y467-F550 AromaticContact CE1-CG 3.66Å; Y467-F550 HydrophobicContact CE1-CG 3.66Å; Y467-F550 HydrophobicContact CE1-CZ 4.3Å; Y467-C558 HydrophobicContact CD1-CB 4.44Å; Y467-C558 HydrophobicContact CD2-CB 4.14Å; Y467-C558 HydrophobicContact CE1-CB 3.91Å; Y467-C558 HydrophobicContact CE2-CB 3.56Å; Y467-C558 VanDerWaalsContact CZ-CB 3.43Å; Y467-C558 PolarHBondContact OH-O 2.94Å
468	T	96	Very high	96.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	159.7	-179.6	63.4	0	0	0	0	110.8	K470 S471 G472 L496 D499 E500 G547	T468-K470 VanDerWaalsContact C-N 3.28Å; T468-K470 PolarHBondContact O-N 2.98Å; T468-S471 WeakPolarHBondContact OG1-CA 3.36Å; T468-S471 WeakPolarHBondContact OG1-CB 3.25Å; T468-S471 PolarHBondContact OG1-N 3.24Å; T468-S471 VanDerWaalsContact OG1-N 3.14Å; T468-G472 PolarHBondContact N-O 2.6Å; T468-G472 PolarHBondContact OG1-N 3.23Å; T468-G472 PolarHBondContact OG1-O 3.39Å; T468-L496 HydrophobicContact CG2-CD2 3.8Å; T468-D499 WeakPolarHBondContact CB-OD2 3.47Å; T468-D499 PolarHBondContact OG1-OD2 2.65Å; T468-D499 VanDerWaalsContact OG1-OD2 3.1Å; T468-E500 VanDerWaalsContact CA-O 3.31Å; T468-E500 WeakPolarHBondContact CA-O 3.3Å; T468-G547 VanDerWaalsContact O-CA 3.28Å; T468-G547 WeakPolarHBondContact O-CA 3.39Å
469	K	93.8	Very high	96.5	Very high	63 Å²	63	17.7 Å²	17.7	27%	0.274	9%	0.086	S	C	.	.	S	Bend	trans	-66.8	-27.3	-177.3	-66.3	-176.2	-174.4	165.5	0	113.1	E500	K469-E500 HydrophobicContact CD-CB 4.11Å; K469-E500 HydrophobicContact CG-CB 4.5Å; K469-E500 PolarHBondContact N-O 2.83Å; K469-E500 IonicContact NZ-OE2 3.76Å; K469-E500 PolarHBondContact NZ-OE2 2.93Å
470	K	92.6	Very high	96.1	Very high	140 Å²	140	17.7 Å²	17.7	61%	0.609	9%	0.086	S	C	*	.	S	Bend	trans	-127.2	-41.4	-173.8	-56.6	169.5	-173.1	158.1	0	113.5	T468 D499	T468-K470 VanDerWaalsContact C-N 3.28Å; T468-K470 PolarHBondContact O-N 2.98Å; K470-D499 WeakPolarHBondContact CA-OD2 3.46Å; K470-D499 WeakPolarHBondContact CB-OD2 3.37Å; K470-D499 WeakPolarHBondContact CG-OD1 3.47Å; K470-D499 PolarHBondContact N-OD1 3.46Å; K470-D499 PolarHBondContact N-OD2 3.18Å
471	S	91.8	Very high	95.3	Very high	36 Å²	36	17.7 Å²	17.7	25%	0.252	9%	0.086	S	C	.	.	S	Bend	trans	-86.6	-5.8	-172	-70.2	0	0	0	0	114.3	Q358 T468 D499	Q358-S471 VanDerWaalsContact CD-OG 3.31Å; Q358-S471 PolarHBondContact NE2-OG 3.36Å; Q358-S471 PolarHBondContact OE1-OG 2.99Å; T468-S471 WeakPolarHBondContact OG1-CA 3.36Å; T468-S471 WeakPolarHBondContact OG1-CB 3.25Å; T468-S471 PolarHBondContact OG1-N 3.24Å; T468-S471 VanDerWaalsContact OG1-N 3.14Å; S471-D499 WeakPolarHBondContact CB-OD2 3.26Å; S471-D499 PolarHBondContact N-OD2 3.21Å; S471-D499 PolarHBondContact OG-OD2 3.32Å
472	G	92.1	Very high	93.8	Very high	7 Å²	7	18 Å²	18	7%	0.072	9%	0.087	C	C	.	.			trans	82.1	-145.5	179.7	0	0	0	0	0	112.4	T468 H474	T468-G472 PolarHBondContact N-O 2.6Å; T468-G472 PolarHBondContact OG1-N 3.23Å; T468-G472 PolarHBondContact OG1-O 3.39Å; G472-H474 PolarHBondContact O-CD2 3.16Å
473	A	95.2	Very high	92.3	Very high	3 Å²	3	18 Å²	18	3%	0.025	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	140.4	-176.2	0	0	0	0	0	112.5	V465 L466 Y467 F550 Y582	V465-A473 HydrophobicContact CG1-CB 3.92Å; L466-A473 CarbonylContact O-C 3.52Å; L466-A473 WeakPolarHBondContact O-CA 3.45Å; Y467-A473 HydrophobicContact CD1-CB 3.83Å; Y467-A473 HydrophobicContact CE1-CB 3.75Å; A473-F550 HydrophobicContact CB-CE1 4.4Å; A473-F550 HydrophobicContact CB-CE2 3.71Å; A473-F550 HydrophobicContact CB-CZ 3.62Å; A473-Y582 HydrophobicContact CB-CE1 3.65Å
474	H	97.1	Very high	91.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.4	172.9	-62.1	-117.6	0	0	0	108.1	R303 V465 L466 G472 F494	R303-H474 PolarHBondContact NH1-CE1 3.44Å; V465-H474 CarbonylContact C-O 3.59Å; V465-H474 VanDerWaalsContact CA-O 3.3Å; V465-H474 WeakPolarHBondContact CA-O 3.4Å; L466-H474 PolarHBondContact N-O 3.15Å; L466-H474 PolarHBondContact O-N 3.01Å; G472-H474 PolarHBondContact O-CD2 3.16Å; H474-F494 HydrophobicContact CB-CD1 3.65Å; H474-F494 HydrophobicContact CB-CE1 3.75Å; H474-F494 VanDerWaalsContact O-CE1 3.31Å; H474-F494 WeakPolarHBondContact O-CE1 3.05Å
475	L	97.6	Very high	91.2	Very high	4 Å²	4	16 Å²	16	2%	0.021	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135.2	-179.2	-176.2	164.1	0	0	0	110.2	D300 K463 V464 V465 I477	D300-L475 HydrophobicContact CB-CB 3.86Å; D300-L475 HydrophobicContact CB-CD1 4.46Å; D300-L475 HydrophobicContact CB-CD2 4.13Å; D300-L475 HydrophobicContact CB-CG 4.38Å; K463-L475 HydrophobicContact CD-CD1 3.92Å; K463-L475 HydrophobicContact CD-CG 4.34Å; K463-L475 HydrophobicContact CG-CD1 4.21Å; K463-L475 HydrophobicContact CG-CD2 4.38Å; K463-L475 HydrophobicContact CG-CG 4.07Å; V464-L475 WeakPolarHBondContact O-CA 3.31Å; V465-L475 HydrophobicContact CG2-CG 4.37Å; L475-I477 HydrophobicContact CD2-CG1 4.01Å
476	R	98.1	Very high	91.1	Very high	25 Å²	25	16 Å²	16	9%	0.094	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	153	168.3	-61.9	-67	179.5	-100.3	6.9	109.6	V464 A492 H493 F494	V464-R476 PolarHBondContact N-O 2.99Å; V464-R476 PolarHBondContact O-N 3.27Å; R476-A492 HydrophobicContact CB-CB 3.68Å; R476-A492 HydrophobicContact CG-CB 4.28Å; R476-H493 PolarHBondContact NE-O 3.44Å; R476-F494 HydrophobicContact CB-CE1 4.21Å; R476-F494 HydrophobicContact CB-CZ 3.98Å; R476-F494 HydrophobicContact CG-CD1 3.98Å; R476-F494 HydrophobicContact CG-CE1 3.44Å; R476-F494 VanDerWaalsContact CG-CE1 3.44Å; R476-F494 HydrophobicContact CG-CE2 4.34Å; R476-F494 HydrophobicContact CG-CZ 3.65Å
477	I	97.7	Very high	91.1	Very high	23 Å²	23	16 Å²	16	12%	0.118	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.7	174.2	-57.4	165.3	0	0	0	106.4	L298 V307 A462 L475 D479	L298-I477 HydrophobicContact CB-CD1 3.75Å; L298-I477 HydrophobicContact CD1-CD1 4.19Å; V307-I477 HydrophobicContact CB-CD1 4.11Å; V307-I477 HydrophobicContact CG1-CD1 3.42Å; V307-I477 VanDerWaalsContact CG1-CD1 3.42Å; V307-I477 HydrophobicContact CG2-CD1 3.55Å; V307-I477 HydrophobicContact CG2-CG1 4.36Å; A462-I477 WeakPolarHBondContact O-CA 3.25Å; L475-I477 HydrophobicContact CD2-CG1 4.01Å; I477-D479 PolarHBondContact O-N 3.1Å
478	I	98	Very high	91.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.083	C	C	.	.			trans	-73.7	122.5	172.6	-53.1	-56	0	0	0	108	P451 A459 R460 G461 A462 V464 G480 P490 A492	P451-I478 HydrophobicContact CG-CD1 3.74Å; P451-I478 HydrophobicContact CG-CG1 3.41Å; P451-I478 VanDerWaalsContact CG-CG1 3.41Å; A459-I478 WeakPolarHBondContact O-CB 3.28Å; R460-I478 HydrophobicContact CG-CG2 4.33Å; G461-I478 WeakPolarHBondContact CA-O 3.43Å; G461-I478 PolarHBondContact N-O 3.5Å; A462-I478 HydrophobicContact CB-CG1 4.16Å; A462-I478 PolarHBondContact O-N 2.79Å; V464-I478 HydrophobicContact CG2-CD1 3.98Å; V464-I478 HydrophobicContact CG2-CG1 4.22Å; I478-G480 PolarHBondContact O-N 3.13Å; I478-P490 HydrophobicContact CG2-CB 3.96Å; I478-A492 HydrophobicContact CD1-CB 3.72Å; I478-A492 VanDerWaalsContact CD1-N 3.31Å
479	D	95.8	Very high	91.2	Very high	19 Å²	19	17.3 Å²	17.3	10%	0.102	9%	0.086	C	C	.	.			trans	-64.2	125.1	-172.6	-164.1	57.9	0	0	0	111.8	R460 I477 G481 S482 E487 M488	R460-D479 WeakPolarHBondContact CD-O 3.32Å; R460-D479 VanDerWaalsContact CG-O 3.3Å; R460-D479 WeakPolarHBondContact CG-O 3.34Å; R460-D479 PolarHBondContact NH1-O 3.33Å; I477-D479 PolarHBondContact O-N 3.1Å; D479-G481 VanDerWaalsContact OD1-O 3.1Å; D479-G481 VanDerWaalsContact OD2-C 3.26Å; D479-G481 PolarHBondContact OD2-N 3.07Å; D479-S482 VanDerWaalsContact CG-OG 3.22Å; D479-S482 VanDerWaalsContact OD1-CB 3.28Å; D479-S482 WeakPolarHBondContact OD1-CB 3.34Å; D479-S482 PolarHBondContact OD1-OG 3.18Å; D479-S482 WeakPolarHBondContact OD2-CB 3.49Å; D479-S482 PolarHBondContact OD2-N 2.89Å; D479-S482 PolarHBondContact OD2-OG 2.66Å; D479-E487 WeakPolarHBondContact OD2-CA 3.49Å; D479-M488 HydrophobicContact CB-CB 3.79Å; D479-M488 HydrophobicContact CB-CG 4.35Å; D479-M488 PolarHBondContact OD2-N 2.87Å
480	G	89.5	Confident	91.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.073	C	C	.	.	S	Bend	trans	-104.3	18.8	169.5	0	0	0	0	0	112.4	A182 C183 I478	A182-G480 CarbonylContact C-O 3.59Å; A182-G480 WeakPolarHBondContact CA-O 3.25Å; A182-G480 VanDerWaalsContact CB-O 3.31Å; A182-G480 WeakPolarHBondContact CB-O 3.23Å; C183-G480 PolarHBondContact N-O 3.02Å; I478-G480 PolarHBondContact O-N 3.13Å
481	G	80.4	Confident	91.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.047	C	C	.	.			trans	132.9	126.8	-168.5	0	0	0	0	0	109.3	V244 S245 D479	V244-G481 CarbonylContact O-C 3.46Å; S245-G481 VanDerWaalsContact CA-O 3.25Å; S245-G481 WeakPolarHBondContact CA-O 3.45Å; S245-G481 PolarHBondContact OG-O 3.04Å; D479-G481 VanDerWaalsContact OD1-O 3.1Å; D479-G481 VanDerWaalsContact OD2-C 3.26Å; D479-G481 PolarHBondContact OD2-N 3.07Å
482	S	65.4	Low	92	Very high	7 Å²	7	6.6 Å²	6.6	5%	0.049	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	110	-179.9	-100.5	0	0	0	0	111	D479 C486	D479-S482 VanDerWaalsContact CG-OG 3.22Å; D479-S482 VanDerWaalsContact OD1-CB 3.28Å; D479-S482 WeakPolarHBondContact OD1-CB 3.34Å; D479-S482 PolarHBondContact OD1-OG 3.18Å; D479-S482 WeakPolarHBondContact OD2-CB 3.49Å; D479-S482 PolarHBondContact OD2-N 2.89Å; D479-S482 PolarHBondContact OD2-OG 2.66Å; S482-C486 CarbonylContact C-O 2.86Å; S482-C486 PolarHBondContact N-O 3.05Å; S482-C486 CarbonylContact O-C 3.53Å; S482-C486 VanDerWaalsContact O-O 3.09Å
483	G	67	Low	92.3	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.6	-144.1	166.8	0	0	0	0	0	114.1	S180 G243 V244 V296 L485	S180-G483 PolarHBondContact OG-O 3.07Å; S180-G483 VanDerWaalsContact OG-O 3.1Å; G243-G483 WeakPolarHBondContact CA-O 3.36Å; V244-G483 PolarHBondContact N-O 2.91Å; V244-G483 VanDerWaalsContact N-O 3.12Å; V244-G483 PolarHBondContact O-N 3.4Å; V244-G483 VanDerWaalsContact O-N 3.11Å; V296-G483 VanDerWaalsContact N-CA 3.28Å; V296-G483 WeakPolarHBondContact O-CA 3.31Å; V296-G483 PolarHBondContact O-N 2.78Å; G483-L485 PolarHBondContact O-N 3.48Å
484	Y	81.8	Confident	92.4	Very high	1 Å²	1	6.7 Å²	6.7	0%	0.004	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	104.6	-177.9	-169.9	-123	0	0	0	108.5	R179 R242 R294 R347 C486	R179-Y484 WeakPolarHBondContact O-CE2 3.4Å; R242-Y484 HydrophobicContact CB-CD2 4.21Å; R242-Y484 HydrophobicContact CB-CE2 4.49Å; R242-Y484 PolarHBondContact NH1-OH 3.26Å; R242-Y484 WeakPolarHBondContact O-CD2 3.3Å; R294-Y484 PolarHBondContact O-N 3.04Å; R347-Y484 HydrophobicContact CB-CD1 4.29Å; R347-Y484 WeakPolarHBondContact O-CB 3.42Å; Y484-C486 VanDerWaalsContact C-N 3.3Å; Y484-C486 PolarHBondContact O-N 2.84Å; Y484-C486 PolarHBondContact O-SG 3.34Å
485	L	91.9	Very high	92.5	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	4.4	166.7	-53.8	165.5	0	0	0	116.9	Y57 G58 I116 V118 R179 S180 G483	Y57-L485 HydrophobicContact CD1-CD1 4.07Å; G58-L485 WeakPolarHBondContact CA-O 3.49Å; I116-L485 HydrophobicContact CB-CD1 4.19Å; I116-L485 HydrophobicContact CB-CD2 4.26Å; I116-L485 HydrophobicContact CD1-CD2 3.91Å; I116-L485 HydrophobicContact CG1-CD2 3.85Å; I116-L485 WeakPolarHBondContact O-CB 3.24Å; I116-L485 VanDerWaalsContact O-CD1 3.32Å; I116-L485 WeakPolarHBondContact O-CD1 3.48Å; V118-L485 PolarHBondContact N-O 2.89Å; R179-L485 WeakPolarHBondContact O-CD2 3.45Å; S180-L485 PolarHBondContact OG-N 3.39Å; G483-L485 PolarHBondContact O-N 3.48Å
486	C	96.6	Very high	92.5	Very high	2 Å²	2	6.5 Å²	6.5	1%	0.014	3%	0.033	C	C	.	.	B	Isolated β-bridge	trans	-120.9	164.2	-169.4	-55.1	0	0	0	0	113.2	V59 G407 G408 S482 Y484 M488	V59-C486 CarbonylContact O-C 3.49Å; V59-C486 WeakPolarHBondContact O-CA 3.5Å; V59-C486 VanDerWaalsContact O-CB 3.31Å; V59-C486 WeakPolarHBondContact O-CB 3.49Å; G407-C486 WeakPolarHBondContact CA-SG 3.41Å; G408-C486 PolarHBondContact N-SG 3.34Å; S482-C486 CarbonylContact C-O 2.86Å; S482-C486 PolarHBondContact N-O 3.05Å; S482-C486 CarbonylContact O-C 3.53Å; S482-C486 VanDerWaalsContact O-O 3.09Å; Y484-C486 VanDerWaalsContact C-N 3.3Å; Y484-C486 PolarHBondContact O-N 2.84Å; Y484-C486 PolarHBondContact O-SG 3.34Å; C486-M488 HydrophobicContact CB-CE 4.4Å
487	E	97.3	Very high	92.5	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.032	C	C	.	.	B	Isolated β-bridge	trans	-145.7	122.9	175	-178.9	172.1	-131.2	0	0	110.1	V59 A60 V61 T119 A120 V409 R460 D479	V59-E487 PolarHBondContact O-N 3.17Å; A60-E487 VanDerWaalsContact CA-O 3.3Å; A60-E487 WeakPolarHBondContact CA-O 3.46Å; A60-E487 HydrophobicContact CB-CB 4Å; V61-E487 PolarHBondContact N-O 2.75Å; T119-E487 WeakPolarHBondContact CA-OE2 3.24Å; T119-E487 WeakPolarHBondContact CB-OE2 3.41Å; T119-E487 PolarHBondContact OG1-OE1 2.74Å; T119-E487 PolarHBondContact OG1-OE2 2.7Å; A120-E487 PolarHBondContact N-OE2 3.41Å; V409-E487 VanDerWaalsContact CG1-O 3.31Å; V409-E487 WeakPolarHBondContact CG1-O 3.29Å; R460-E487 VanDerWaalsContact CD-OE1 3.22Å; R460-E487 WeakPolarHBondContact CD-OE1 3.44Å; R460-E487 IonicContact CZ-OE1 3.61Å; R460-E487 IonicContact CZ-OE2 3.74Å; R460-E487 IonicContact NE-OE1 3.97Å; R460-E487 PolarHBondContact NE-OE1 2.96Å; R460-E487 IonicContact NH1-OE1 3.43Å; R460-E487 PolarHBondContact NH1-OE1 3.25Å; R460-E487 VanDerWaalsContact NH1-OE1 3.14Å; R460-E487 IonicContact NH1-OE2 3.96Å; R460-E487 IonicContact NH2-OE2 3.02Å; D479-E487 WeakPolarHBondContact OD2-CA 3.49Å
488	M	97.1	Very high	92.5	Very high	23 Å²	23	15.1 Å²	15.1	11%	0.113	7%	0.066	C	C	.	.			trans	-70.7	170.8	-177.9	-55.5	-61.4	135.8	0	0	111.3	I350 G408 V409 R460 D479 C486	I350-M488 HydrophobicContact CD1-CE 4.44Å; I350-M488 HydrophobicContact CG1-CE 3.93Å; I350-M488 HydrophobicContact CG1-SD 4.47Å; G408-M488 WeakPolarHBondContact O-CE 3.44Å; V409-M488 HydrophobicContact CB-SD 4.28Å; V409-M488 HydrophobicContact CG1-CE 4.44Å; V409-M488 HydrophobicContact CG1-SD 4.34Å; R460-M488 PolarHBondContact NH1-O 2.92Å; D479-M488 HydrophobicContact CB-CB 3.79Å; D479-M488 HydrophobicContact CB-CG 4.35Å; D479-M488 PolarHBondContact OD2-N 2.87Å; C486-M488 HydrophobicContact CB-CE 4.4Å
489	E	97.4	Very high	92.4	Very high	11 Å²	11	15.4 Å²	15.4	5%	0.051	7%	0.068	C	C	.	.			trans	-57.2	144.3	170.7	67.7	179.2	176.5	0	0	111.5	V61 T411 D412 R448 V491	V61-E489 HydrophobicContact CB-CB 4.05Å; V61-E489 HydrophobicContact CG1-CB 3.75Å; T411-E489 VanDerWaalsContact CA-OE2 3.29Å; T411-E489 WeakPolarHBondContact CA-OE2 3.28Å; T411-E489 WeakPolarHBondContact CB-OE2 3.2Å; T411-E489 PolarHBondContact OG1-OE2 3.25Å; D412-E489 PolarHBondContact N-OE2 3.49Å; R448-E489 IonicContact CZ-OE1 3.02Å; R448-E489 IonicContact CZ-OE2 3.49Å; R448-E489 IonicContact NH1-OE1 3.86Å; R448-E489 PolarHBondContact NH1-OE1 2.99Å; R448-E489 IonicContact NH1-OE2 3.33Å; R448-E489 IonicContact NH2-OE1 3.82Å; R448-E489 PolarHBondContact NH2-OE1 2.87Å; R448-E489 IonicContact NH2-OE2 3.56Å; R448-E489 PolarHBondContact NH2-OE2 2.99Å; E489-V491 HydrophobicContact CB-CG2 4.13Å; E489-V491 HydrophobicContact CG-CB 3.89Å; E489-V491 HydrophobicContact CG-CG2 3.89Å; E489-V491 PolarHBondContact O-N 2.92Å
490	P	97.8	Very high	92.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	-80.3	50.9	-178.7	33.3	-35.8	0	0	0	111.8	F70 F458 I478	F70-P490 HydrophobicContact CE1-CG 3.64Å; F70-P490 HydrophobicContact CZ-CG 3.94Å; F458-P490 HydrophobicContact CB-CB 3.55Å; F458-P490 HydrophobicContact CB-CG 3.92Å; F458-P490 HydrophobicContact CD1-CB 4.11Å; F458-P490 HydrophobicContact CD1-CG 3.7Å; F458-P490 HydrophobicContact CD2-CB 4.22Å; F458-P490 HydrophobicContact CD2-CG 3.62Å; F458-P490 HydrophobicContact CE1-CG 4.11Å; F458-P490 HydrophobicContact CE2-CG 4.07Å; F458-P490 HydrophobicContact CG-CB 3.7Å; F458-P490 HydrophobicContact CG-CG 3.45Å; F458-P490 VanDerWaalsContact CG-CG 3.45Å; F458-P490 HydrophobicContact CZ-CG 4.31Å; I478-P490 HydrophobicContact CG2-CB 3.96Å
491	V	98.4	Very high	92.8	Very high	13 Å²	13	17.9 Å²	17.9	8%	0.079	8%	0.079	C	C	.	.			trans	-132	130.5	-172.2	-169.8	0	0	0	0	110.2	F70 R448 V450 E489 H493	F70-V491 HydrophobicContact CD2-CG2 4.49Å; F70-V491 HydrophobicContact CE2-CG2 3.44Å; F70-V491 VanDerWaalsContact CE2-CG2 3.44Å; F70-V491 HydrophobicContact CZ-CG2 3.67Å; R448-V491 HydrophobicContact CB-CG1 3.78Å; R448-V491 HydrophobicContact CG-CG1 4.16Å; V450-V491 HydrophobicContact CG2-CG1 4.15Å; V450-V491 HydrophobicContact CG2-CG2 4.06Å; E489-V491 HydrophobicContact CB-CG2 4.13Å; E489-V491 HydrophobicContact CG-CB 3.89Å; E489-V491 HydrophobicContact CG-CG2 3.89Å; E489-V491 PolarHBondContact O-N 2.92Å; V491-H493 PolarHBondContact O-N 3.48Å
492	A	98.6	Very high	93.6	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.008	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	100.2	164.9	0	0	0	0	0	108.8	V449 V464 R476 I478 F494	V449-A492 HydrophobicContact CB-CB 4.28Å; V449-A492 PolarHBondContact N-O 2.8Å; V449-A492 PolarHBondContact O-N 3.2Å; V464-A492 HydrophobicContact CB-CB 3.69Å; V464-A492 HydrophobicContact CG1-CB 3.97Å; V464-A492 HydrophobicContact CG2-CB 3.77Å; R476-A492 HydrophobicContact CB-CB 3.68Å; R476-A492 HydrophobicContact CG-CB 4.28Å; I478-A492 HydrophobicContact CD1-CB 3.72Å; I478-A492 VanDerWaalsContact CD1-N 3.31Å; A492-F494 HydrophobicContact CB-CE2 3.65Å; A492-F494 HydrophobicContact CB-CZ 4.04Å; A492-F494 WeakPolarHBondContact O-CD2 3.48Å
493	H	98.6	Very high	95	Very high	12 Å²	12	17.8 Å²	17.8	6%	0.056	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.3	174.9	-172.8	83.9	0	0	0	111.6	N356 G417 L419 R448 R476 V491	N356-H493 PolarHBondContact OD1-NE2 2.93Å; G417-H493 PolarHBondContact O-CE1 2.95Å; L419-H493 HydrophobicContact CD1-CB 4.15Å; L419-H493 VanDerWaalsContact CD1-CD2 3.45Å; L419-H493 WeakPolarHBondContact CD1-CD2 3.3Å; L419-H493 HydrophobicContact CD2-CB 4.23Å; R448-H493 HydrophobicContact CG-CB 4.47Å; R448-H493 WeakPolarHBondContact CG-ND1 3.3Å; R448-H493 PolarHBondContact NH1-ND1 3.08Å; R476-H493 PolarHBondContact NE-O 3.44Å; V491-H493 PolarHBondContact O-N 3.48Å
494	F	98.6	Very high	96.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	108.5	176.9	-60.1	-84.7	0	0	0	110.2	W446 L447 V449 V464 L466 H474 R476 A492 L496	W446-F494 CarbonylContact C-O 3.13Å; W446-F494 WeakPolarHBondContact CA-O 3.16Å; L447-F494 PolarHBondContact N-O 3.41Å; L447-F494 WeakPolarHBondContact O-CB 3.39Å; L447-F494 PolarHBondContact O-N 3.06Å; V449-F494 HydrophobicContact CB-CE2 4.44Å; V449-F494 HydrophobicContact CG2-CD2 4.29Å; V449-F494 HydrophobicContact CG2-CE2 4.03Å; V464-F494 HydrophobicContact CB-CZ 4.25Å; V464-F494 HydrophobicContact CG1-CE2 3.87Å; V464-F494 HydrophobicContact CG1-CZ 3.86Å; L466-F494 HydrophobicContact CB-CD1 3.78Å; L466-F494 HydrophobicContact CB-CD2 4.08Å; L466-F494 HydrophobicContact CB-CE1 3.63Å; L466-F494 HydrophobicContact CB-CE2 3.94Å; L466-F494 HydrophobicContact CB-CG 4Å; L466-F494 HydrophobicContact CB-CZ 3.71Å; L466-F494 HydrophobicContact CD2-CB 3.59Å; L466-F494 HydrophobicContact CD2-CD1 3.98Å; L466-F494 HydrophobicContact CD2-CD2 3.77Å; L466-F494 HydrophobicContact CD2-CE2 4.43Å; L466-F494 HydrophobicContact CD2-CG 3.5Å; L466-F494 HydrophobicContact CG-CD2 4.48Å; L466-F494 HydrophobicContact CG-CG 4.4Å; H474-F494 HydrophobicContact CB-CD1 3.65Å; H474-F494 HydrophobicContact CB-CE1 3.75Å; H474-F494 VanDerWaalsContact O-CE1 3.31Å; H474-F494 WeakPolarHBondContact O-CE1 3.05Å; R476-F494 HydrophobicContact CB-CE1 4.21Å; R476-F494 HydrophobicContact CB-CZ 3.98Å; R476-F494 HydrophobicContact CG-CD1 3.98Å; R476-F494 HydrophobicContact CG-CE1 3.44Å; R476-F494 VanDerWaalsContact CG-CE1 3.44Å; R476-F494 HydrophobicContact CG-CE2 4.34Å; R476-F494 HydrophobicContact CG-CZ 3.65Å; A492-F494 HydrophobicContact CB-CE2 3.65Å; A492-F494 HydrophobicContact CB-CZ 4.04Å; A492-F494 WeakPolarHBondContact O-CD2 3.48Å; F494-L496 HydrophobicContact CB-CD2 4.09Å; F494-L496 HydrophobicContact CB-CG 4.45Å
495	G	98.3	Very high	97.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	131.3	160.7	0	0	0	0	0	110.7	D353 N356 Q358	D353-G495 WeakPolarHBondContact OD2-CA 3.31Å; D353-G495 PolarHBondContact OD2-N 2.79Å; N356-G495 WeakPolarHBondContact OD1-CA 3.4Å; Q358-G495 WeakPolarHBondContact CA-O 3.35Å; Q358-G495 WeakPolarHBondContact CG-O 3.28Å
496	L	98.1	Very high	97.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	-3.2	-169.7	-59.2	177.1	0	0	0	112.8	N356 Q358 N445 L447 L466 T468 F494 R498 D499 A501 M523	N356-L496 PolarHBondContact O-N 2.89Å; Q358-L496 PolarHBondContact NE2-O 2.7Å; N445-L496 HydrophobicContact CB-CB 3.96Å; N445-L496 WeakPolarHBondContact O-CA 3.38Å; N445-L496 WeakPolarHBondContact O-CB 3.41Å; N445-L496 PolarHBondContact O-N 3.31Å; L447-L496 HydrophobicContact CB-CD1 4.13Å; L466-L496 HydrophobicContact CD2-CD1 4.22Å; L466-L496 HydrophobicContact CD2-CD2 3.85Å; T468-L496 HydrophobicContact CG2-CD2 3.8Å; F494-L496 HydrophobicContact CB-CD2 4.09Å; F494-L496 HydrophobicContact CB-CG 4.45Å; L496-R498 PolarHBondContact O-N 2.81Å; L496-D499 WeakPolarHBondContact O-CB 3.48Å; L496-D499 PolarHBondContact O-N 3.19Å; L496-A501 HydrophobicContact CD1-CB 4.29Å; L496-M523 HydrophobicContact CD1-CE 3.54Å
497	G	97.6	Very high	97.4	Very high	8 Å²	8	18.9 Å²	18.9	8%	0.082	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.8	-113.2	-176.9	0	0	0	0	0	110.7	N356 N444 N445	N356-G497 WeakPolarHBondContact O-CA 3.24Å; N356-G497 PolarHBondContact O-N 3.48Å; N444-G497 CarbonylContact C-O 3.39Å; N444-G497 WeakPolarHBondContact CA-O 3.49Å; N445-G497 PolarHBondContact N-O 2.72Å
498	R	97.4	Very high	97.4	Very high	221 Å²	221	19.1 Å²	19.1	83%	0.834	8%	0.084	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.5	8.2	174.9	-62.1	-176.8	178.5	169.9	0.8	113.7	L496	L496-R498 PolarHBondContact O-N 2.81Å
499	D	97	Very high	97.4	Very high	5 Å²	5	18.4 Å²	18.4	3%	0.027	8%	0.081	C	C	.	.			trans	-84.6	170.6	175.5	-152.8	4.5	0	0	0	111	N445 T468 K470 S471 L496	N445-D499 PolarHBondContact ND2-O 2.85Å; T468-D499 WeakPolarHBondContact CB-OD2 3.47Å; T468-D499 PolarHBondContact OG1-OD2 2.65Å; T468-D499 VanDerWaalsContact OG1-OD2 3.1Å; K470-D499 WeakPolarHBondContact CA-OD2 3.46Å; K470-D499 WeakPolarHBondContact CB-OD2 3.37Å; K470-D499 WeakPolarHBondContact CG-OD1 3.47Å; K470-D499 PolarHBondContact N-OD1 3.46Å; K470-D499 PolarHBondContact N-OD2 3.18Å; S471-D499 WeakPolarHBondContact CB-OD2 3.26Å; S471-D499 PolarHBondContact N-OD2 3.21Å; S471-D499 PolarHBondContact OG-OD2 3.32Å; L496-D499 WeakPolarHBondContact O-CB 3.48Å; L496-D499 PolarHBondContact O-N 3.19Å
500	E	96.3	Very high	97.4	Very high	72 Å²	72	20.6 Å²	20.6	34%	0.336	9%	0.093	S	C	.	.			trans	-126.5	139.3	179.3	-65.3	175	-176.2	0	0	109.3	T468 K469	T468-E500 VanDerWaalsContact CA-O 3.31Å; T468-E500 WeakPolarHBondContact CA-O 3.3Å; K469-E500 HydrophobicContact CD-CB 4.11Å; K469-E500 HydrophobicContact CG-CB 4.5Å; K469-E500 PolarHBondContact N-O 2.83Å; K469-E500 IonicContact NZ-OE2 3.76Å; K469-E500 PolarHBondContact NZ-OE2 2.93Å
501	A	97.3	Very high	97.2	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	144.1	170.3	0	0	0	0	0	110.3	L447 L466 L496 V518 M523	L447-A501 HydrophobicContact CD2-CB 4.02Å; L466-A501 HydrophobicContact CD1-CB 3.87Å; L466-A501 HydrophobicContact CD2-CB 4.09Å; L466-A501 HydrophobicContact CG-CB 4.14Å; L496-A501 HydrophobicContact CD1-CB 4.29Å; A501-V518 HydrophobicContact CB-CB 4.1Å; A501-V518 HydrophobicContact CB-CG1 3.98Å; A501-V518 HydrophobicContact CB-CG2 4.29Å; A501-M523 HydrophobicContact CB-SD 3.77Å; A501-M523 PolarHBondContact N-SD 2.95Å
502	S	95.9	Very high	97	Very high	4 Å²	4	23.9 Å²	23.9	3%	0.028	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-45.8	175.4	64.1	0	0	0	0	111.3	Y467 S517 V518 E545	Y467-S502 PolarHBondContact O-N 2.98Å; Y467-S502 PolarHBondContact O-OG 2.81Å; Y467-S502 VanDerWaalsContact O-OG 3.12Å; S502-S517 WeakPolarHBondContact O-CA 3.29Å; S502-V518 PolarHBondContact O-N 2.92Å; S502-E545 VanDerWaalsContact CB-O 3.23Å; S502-E545 WeakPolarHBondContact CB-O 3.43Å; S502-E545 PolarHBondContact OG-O 3.06Å
503	S	95.9	Very high	96.8	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	156.3	177.5	51.5	0	0	0	0	111.7	Y467 R516 E545	Y467-S503 PolarHBondContact N-O 2.96Å; Y467-S503 PolarHBondContact O-N 3.49Å; S503-R516 CarbonylContact C-O 3.57Å; S503-R516 VanDerWaalsContact CA-O 3.24Å; S503-R516 WeakPolarHBondContact CA-O 3.33Å; S503-R516 VanDerWaalsContact CB-O 3.27Å; S503-R516 WeakPolarHBondContact CB-O 3.26Å; S503-E545 PolarHBondContact OG-O 3.32Å
504	V	96.8	Very high	96.5	Very high	2 Å²	2	28 Å²	28	1%	0.012	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140	175.5	62.5	0	0	0	0	109.4	V449 V464 V465 L466 S515 R516 V518 I529	V449-V504 HydrophobicContact CG1-CG2 4.18Å; V449-V504 HydrophobicContact CG2-CG2 4.1Å; V464-V504 HydrophobicContact CG1-CG2 3.85Å; V465-V504 WeakPolarHBondContact O-CA 3.36Å; L466-V504 HydrophobicContact CD1-CB 3.86Å; L466-V504 HydrophobicContact CD1-CG2 4.21Å; V504-S515 CarbonylContact O-C 3.58Å; V504-S515 VanDerWaalsContact O-CA 3.31Å; V504-S515 WeakPolarHBondContact O-CA 3.42Å; V504-R516 HydrophobicContact CG1-CG 3.84Å; V504-R516 PolarHBondContact N-O 2.84Å; V504-R516 PolarHBondContact O-N 2.89Å; V504-V518 HydrophobicContact CB-CG2 4.14Å; V504-V518 HydrophobicContact CG1-CG2 4.01Å; V504-I529 HydrophobicContact CG1-CD1 4.17Å
505	E	95.9	Very high	96.2	Very high	17 Å²	17	28.2 Å²	28.2	8%	0.079	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.6	173.8	-179.4	168.6	107.7	0	0	109.8	V464 V465 Y467 L514 S515 H557	V464-E505 CarbonylContact C-O 3.49Å; V464-E505 WeakPolarHBondContact CA-O 3.13Å; V465-E505 HydrophobicContact CB-CB 4.48Å; V465-E505 PolarHBondContact N-O 2.94Å; V465-E505 PolarHBondContact O-N 3.38Å; Y467-E505 HydrophobicContact CE2-CB 4.16Å; E505-L514 WeakPolarHBondContact CA-O 2.98Å; E505-S515 WeakPolarHBondContact CG-OG 3.39Å; E505-S515 PolarHBondContact OE2-OG 2.89Å; E505-H557 IonicContact OE2-CG 3.65Å; E505-H557 IonicContact OE2-ND1 3.85Å
506	V	97.4	Very high	95.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.8	174.2	-180	0	0	0	0	108.3	V449 P451 A462 K463 V464 W508 M513 L514 I529	V449-V506 HydrophobicContact CG1-CG2 4.49Å; P451-V506 HydrophobicContact CB-CG1 3.63Å; P451-V506 HydrophobicContact CB-CG2 4.32Å; P451-V506 HydrophobicContact CG-CG1 4.45Å; A462-V506 HydrophobicContact CB-CG1 4.44Å; K463-V506 WeakPolarHBondContact O-CA 3.25Å; V464-V506 HydrophobicContact CG1-CG2 4.29Å; V464-V506 HydrophobicContact CG2-CG2 4.25Å; V506-W508 HydrophobicContact CB-CE3 4.43Å; V506-W508 HydrophobicContact CB-CH2 3.73Å; V506-W508 HydrophobicContact CB-CZ2 4.2Å; V506-W508 HydrophobicContact CB-CZ3 3.85Å; V506-W508 HydrophobicContact CG1-CD2 3.95Å; V506-W508 HydrophobicContact CG1-CE3 3.95Å; V506-W508 HydrophobicContact CG1-CH2 3.65Å; V506-W508 HydrophobicContact CG1-CZ2 3.65Å; V506-W508 HydrophobicContact CG1-CZ3 3.81Å; V506-W508 WeakPolarHBondContact O-CZ3 3.48Å; V506-M513 VanDerWaalsContact O-CA 3.23Å; V506-M513 WeakPolarHBondContact O-CA 3.34Å; V506-L514 PolarHBondContact N-O 2.96Å; V506-L514 PolarHBondContact O-N 2.81Å; V506-I529 HydrophobicContact CB-CG2 4.29Å; V506-I529 HydrophobicContact CG2-CB 4.02Å; V506-I529 HydrophobicContact CG2-CG1 4.18Å; V506-I529 HydrophobicContact CG2-CG2 3.75Å
507	T	97.3	Very high	95.7	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.037	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	119.7	170	-53.6	0	0	0	0	109.2	A462 K463 K512 M513	A462-T507 WeakPolarHBondContact CA-O 3.34Å; K463-T507 PolarHBondContact N-O 3.19Å; K463-T507 PolarHBondContact O-N 2.77Å; T507-K512 WeakPolarHBondContact CA-O 3.45Å; T507-M513 HydrophobicContact CG2-CG 3.84Å; T507-M513 HydrophobicContact CG2-SD 4.35Å
508	W	98.1	Very high	95.6	Very high	6 Å²	6	35.6 Å²	35.6	2%	0.023	17%	0.172	C	C	.	.			trans	-84.1	164.4	176.7	-73.1	-95.5	0	0	0	111.6	R452 V506 D510 G511 K512 L514 I529 Y531 P532	R452-W508 PolarHBondContact O-NE1 2.91Å; V506-W508 HydrophobicContact CB-CE3 4.43Å; V506-W508 HydrophobicContact CB-CH2 3.73Å; V506-W508 HydrophobicContact CB-CZ2 4.2Å; V506-W508 HydrophobicContact CB-CZ3 3.85Å; V506-W508 HydrophobicContact CG1-CD2 3.95Å; V506-W508 HydrophobicContact CG1-CE3 3.95Å; V506-W508 HydrophobicContact CG1-CH2 3.65Å; V506-W508 HydrophobicContact CG1-CZ2 3.65Å; V506-W508 HydrophobicContact CG1-CZ3 3.81Å; V506-W508 WeakPolarHBondContact O-CZ3 3.48Å; W508-D510 PolarHBondContact O-N 3.16Å; W508-D510 VanDerWaalsContact O-N 3.15Å; W508-G511 WeakPolarHBondContact O-CA 3.31Å; W508-G511 PolarHBondContact O-N 2.87Å; W508-K512 HydrophobicContact CE3-CB 4.47Å; W508-K512 PolarHBondContact N-O 3.49Å; W508-L514 HydrophobicContact CH2-CB 3.83Å; W508-L514 HydrophobicContact CH2-CD2 4.38Å; W508-L514 HydrophobicContact CZ3-CB 3.7Å; W508-I529 HydrophobicContact CH2-CG2 4.04Å; W508-I529 HydrophobicContact CZ2-CG2 4.36Å; W508-Y531 HydrophobicContact CB-CD2 4.39Å; W508-Y531 HydrophobicContact CB-CE2 4.28Å; W508-Y531 AromaticContact CD1-CD2 3.75Å; W508-Y531 AromaticContact CD2-CD2 3.83Å; W508-Y531 HydrophobicContact CD2-CD2 3.83Å; W508-Y531 HydrophobicContact CD2-CE2 4.4Å; W508-Y531 AromaticContact CE2-CD2 3.93Å; W508-Y531 AromaticContact CG-CD2 3.74Å; W508-Y531 HydrophobicContact CG-CD2 3.74Å; W508-Y531 HydrophobicContact CG-CE2 4.11Å; W508-Y531 AromaticContact NE1-CD2 3.83Å; W508-P532 HydrophobicContact CE3-CG 4.33Å; W508-P532 VanDerWaalsContact CH2-CD 3.48Å; W508-P532 HydrophobicContact CH2-CG 4.44Å; W508-P532 HydrophobicContact CZ3-CG 3.95Å
509	P	97.7	Very high	95.5	Very high	7 Å²	7	27 Å²	27	5%	0.045	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-25	-177.6	-27.1	36.7	0	0	0	115.5	D185 S253 A254 G511	D185-P509 HydrophobicContact CB-CB 4.33Å; D185-P509 HydrophobicContact CB-CG 4.23Å; S253-P509 WeakPolarHBondContact O-CA 3.48Å; A254-P509 WeakPolarHBondContact CA-O 3.38Å; P509-G511 PolarHBondContact O-N 3.18Å
510	D	96.2	Very high	95.4	Very high	57 Å²	57	31.9 Å²	31.9	31%	0.305	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-0.8	171	60.3	7.6	0	0	0	114.8	G188 R454 W508 K512 Y531	G188-D510 VanDerWaalsContact O-CB 3.29Å; G188-D510 WeakPolarHBondContact O-CB 3.47Å; R454-D510 IonicContact NH2-OD2 2.88Å; R454-D510 PolarHBondContact NH2-OD2 3.28Å; W508-D510 PolarHBondContact O-N 3.16Å; W508-D510 VanDerWaalsContact O-N 3.15Å; D510-K512 VanDerWaalsContact C-N 3.3Å; D510-K512 PolarHBondContact O-N 3Å; D510-K512 VanDerWaalsContact OD1-CB 3.32Å; D510-K512 WeakPolarHBondContact OD1-CB 3.15Å; D510-K512 PolarHBondContact OD1-N 2.8Å; D510-Y531 PolarHBondContact OD2-OH 3.27Å
511	G	94.9	Very high	95.4	Very high	30 Å²	30	39 Å²	39	31%	0.309	20%	0.198	S	C	.	.	S	Bend	trans	79.5	5.8	-177.5	0	0	0	0	0	114.2	S253 W508 P509	S253-G511 WeakPolarHBondContact OG-CA 3.42Å; W508-G511 WeakPolarHBondContact O-CA 3.31Å; W508-G511 PolarHBondContact O-N 2.87Å; P509-G511 PolarHBondContact O-N 3.18Å
512	K	94.1	Very high	95.4	Very high	53 Å²	53	40.4 Å²	40.4	23%	0.23	21%	0.205	C	C	.	.			trans	-61.5	146.9	164.1	-74.9	-140.3	-173.9	-174.5	0	109.4	T507 W508 D510 Y531 P532 D534	T507-K512 WeakPolarHBondContact CA-O 3.45Å; W508-K512 HydrophobicContact CE3-CB 4.47Å; W508-K512 PolarHBondContact N-O 3.49Å; D510-K512 VanDerWaalsContact C-N 3.3Å; D510-K512 PolarHBondContact O-N 3Å; D510-K512 VanDerWaalsContact OD1-CB 3.32Å; D510-K512 WeakPolarHBondContact OD1-CB 3.15Å; D510-K512 PolarHBondContact OD1-N 2.8Å; K512-Y531 HydrophobicContact CB-CE2 4.13Å; K512-Y531 HydrophobicContact CD-CE1 4.08Å; K512-Y531 HydrophobicContact CD-CE2 4.18Å; K512-Y531 WeakPolarHBondContact CD-OH 2.99Å; K512-Y531 WeakPolarHBondContact CE-OH 3.32Å; K512-Y531 HydrophobicContact CG-CE2 4.31Å; K512-Y531 WeakPolarHBondContact CG-OH 3.46Å; K512-P532 HydrophobicContact CB-CG 4.11Å; K512-P532 HydrophobicContact CD-CG 3.97Å; K512-P532 PolarHBondContact NZ-O 2.79Å; K512-D534 IonicContact NZ-OD1 2.92Å; K512-D534 PolarHBondContact NZ-OD1 2.87Å
513	M	92.6	Very high	95.5	Very high	72 Å²	72	41.4 Å²	41.4	36%	0.355	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	147.9	-179.3	-61.8	-175.4	-58.5	0	0	110.8	V506 T507	V506-M513 VanDerWaalsContact O-CA 3.23Å; V506-M513 WeakPolarHBondContact O-CA 3.34Å; T507-M513 HydrophobicContact CG2-CG 3.84Å; T507-M513 HydrophobicContact CG2-SD 4.35Å
514	L	92.7	Very high	95.6	Very high	26 Å²	26	44.6 Å²	44.6	14%	0.136	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	129.2	172.3	179	66.1	0	0	0	108.3	E505 V506 W508 I529 P532	E505-L514 WeakPolarHBondContact CA-O 2.98Å; V506-L514 PolarHBondContact N-O 2.96Å; V506-L514 PolarHBondContact O-N 2.81Å; W508-L514 HydrophobicContact CH2-CB 3.83Å; W508-L514 HydrophobicContact CH2-CD2 4.38Å; W508-L514 HydrophobicContact CZ3-CB 3.7Å; L514-I529 HydrophobicContact CD2-CG2 3.85Å; L514-P532 HydrophobicContact CB-CB 4.42Å; L514-P532 HydrophobicContact CB-CG 4.41Å
515	S	92.3	Very high	95.6	Very high	5 Å²	5	46.1 Å²	46.1	4%	0.035	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	136.5	175.6	-39.9	0	0	0	0	108.9	V504 E505 H557	V504-S515 CarbonylContact O-C 3.58Å; V504-S515 VanDerWaalsContact O-CA 3.31Å; V504-S515 WeakPolarHBondContact O-CA 3.42Å; E505-S515 WeakPolarHBondContact CG-OG 3.39Å; E505-S515 PolarHBondContact OE2-OG 2.89Å; S515-H557 PolarHBondContact OG-ND1 2.76Å
516	R	92.4	Very high	95.7	Very high	99 Å²	99	49 Å²	49	37%	0.374	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	156.6	175.6	62.4	164.6	-74.2	-178.3	-10.9	111.9	S503 V504 E522 I529	S503-R516 CarbonylContact C-O 3.57Å; S503-R516 VanDerWaalsContact CA-O 3.24Å; S503-R516 WeakPolarHBondContact CA-O 3.33Å; S503-R516 VanDerWaalsContact CB-O 3.27Å; S503-R516 WeakPolarHBondContact CB-O 3.26Å; V504-R516 HydrophobicContact CG1-CG 3.84Å; V504-R516 PolarHBondContact N-O 2.84Å; V504-R516 PolarHBondContact O-N 2.89Å; R516-E522 IonicContact CZ-OE1 2.94Å; R516-E522 IonicContact NH2-OE1 3.54Å; R516-E522 PolarHBondContact NH2-OE1 2.84Å; R516-E522 IonicContact NH2-OE2 3.6Å; R516-E522 PolarHBondContact NH2-OE2 2.95Å; R516-E522 VanDerWaalsContact NH2-OE2 3.17Å; R516-I529 HydrophobicContact CG-CD1 4.45Å
517	S	94.2	Very high	95.8	Very high	54 Å²	54	49.7 Å²	49.7	38%	0.378	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	147.5	171.1	-65	0	0	0	0	110.7	S502 L544	S502-S517 WeakPolarHBondContact O-CA 3.29Å; S517-L544 VanDerWaalsContact N-CD2 3.26Å
518	V	96.2	Very high	95.8	Very high	10 Å²	10	54.2 Å²	54.2	6%	0.061	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-100.8	120.2	169.1	179.5	0	0	0	0	107.7	L447 L466 A501 S502 V504 E522 M523 L527	L447-V518 HydrophobicContact CD1-CG1 4.48Å; L447-V518 HydrophobicContact CD2-CG1 4.13Å; L447-V518 HydrophobicContact CD2-CG2 4.18Å; L466-V518 HydrophobicContact CD1-CG2 4.3Å; A501-V518 HydrophobicContact CB-CB 4.1Å; A501-V518 HydrophobicContact CB-CG1 3.98Å; A501-V518 HydrophobicContact CB-CG2 4.29Å; S502-V518 PolarHBondContact O-N 2.92Å; V504-V518 HydrophobicContact CB-CG2 4.14Å; V504-V518 HydrophobicContact CG1-CG2 4.01Å; V518-E522 HydrophobicContact CG1-CB 4.03Å; V518-M523 HydrophobicContact CG1-SD 4.48Å; V518-L527 HydrophobicContact CG1-CD1 4.25Å; V518-L527 HydrophobicContact CG2-CD1 4.17Å
519	A	94.8	Very high	95.8	Very high	41 Å²	41	54.2 Å²	54.2	34%	0.339	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-77.2	149.2	177.6	0	0	0	0	0	110.5	R521 E522	A519-R521 HydrophobicContact CB-CG 4.08Å; A519-R521 PolarHBondContact O-N 3.33Å; A519-E522 HydrophobicContact CB-CG 4.17Å; A519-E522 PolarHBondContact N-OE2 3.07Å; A519-E522 WeakPolarHBondContact O-CA 3.33Å; A519-E522 VanDerWaalsContact O-CB 3.3Å; A519-E522 WeakPolarHBondContact O-CB 3.47Å; A519-E522 PolarHBondContact O-N 3.06Å
520	N	94.1	Very high	95.8	Very high	108 Å²	108	59.4 Å²	59.4	58%	0.578	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-54.5	-28.9	177.3	-70.5	5	0	0	0	113.8	E522 M523	N520-E522 VanDerWaalsContact C-N 3.26Å; N520-E522 PolarHBondContact O-N 3.41Å; N520-M523 WeakPolarHBondContact O-CB 3.45Å; N520-M523 WeakPolarHBondContact O-CG 3.45Å; N520-M523 PolarHBondContact O-N 2.99Å
521	R	96.2	Very high	95.8	Very high	222 Å²	222	58.2 Å²	58.2	84%	0.838	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-74.7	-13.3	176.7	70.3	175.8	-177.3	161.9	2.6	114.2	A519	A519-R521 HydrophobicContact CB-CG 4.08Å; A519-R521 PolarHBondContact O-N 3.33Å
522	E	97.7	Very high	95.7	Very high	28 Å²	28	57.2 Å²	57.2	13%	0.131	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-92.1	-8.6	177.4	-64.9	174.6	148	0	0	111.2	L447 R516 V518 A519 N520 S525 L527	L447-E522 WeakPolarHBondContact CD1-O 3.27Å; R516-E522 IonicContact CZ-OE1 2.94Å; R516-E522 IonicContact NH2-OE1 3.54Å; R516-E522 PolarHBondContact NH2-OE1 2.84Å; R516-E522 IonicContact NH2-OE2 3.6Å; R516-E522 PolarHBondContact NH2-OE2 2.95Å; R516-E522 VanDerWaalsContact NH2-OE2 3.17Å; V518-E522 HydrophobicContact CG1-CB 4.03Å; A519-E522 HydrophobicContact CB-CG 4.17Å; A519-E522 PolarHBondContact N-OE2 3.07Å; A519-E522 WeakPolarHBondContact O-CA 3.33Å; A519-E522 VanDerWaalsContact O-CB 3.3Å; A519-E522 WeakPolarHBondContact O-CB 3.47Å; A519-E522 PolarHBondContact O-N 3.06Å; N520-E522 VanDerWaalsContact C-N 3.26Å; N520-E522 PolarHBondContact O-N 3.41Å; E522-S525 WeakPolarHBondContact O-CB 3.23Å; E522-S525 PolarHBondContact O-OG 2.53Å; E522-L527 HydrophobicContact CB-CD1 4.45Å; E522-L527 HydrophobicContact CB-CD2 3.69Å; E522-L527 HydrophobicContact CG-CD2 3.82Å
523	M	97.8	Very high	95.2	Very high	25 Å²	25	62.8 Å²	62.8	12%	0.123	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	145.8	171.1	-65.4	-61	-54.1	0	0	110.7	N445 L496 A501 V518 N520 S525	N445-M523 HydrophobicContact CB-CE 3.99Å; L496-M523 HydrophobicContact CD1-CE 3.54Å; A501-M523 HydrophobicContact CB-SD 3.77Å; A501-M523 PolarHBondContact N-SD 2.95Å; V518-M523 HydrophobicContact CG1-SD 4.48Å; N520-M523 WeakPolarHBondContact O-CB 3.45Å; N520-M523 WeakPolarHBondContact O-CG 3.45Å; N520-M523 PolarHBondContact O-N 2.99Å; M523-S525 VanDerWaalsContact C-N 3.27Å; M523-S525 PolarHBondContact O-N 2.81Å
524	N	98.1	Very high	94.4	Very high	69 Å²	69	65.1 Å²	65.1	37%	0.369	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	44.7	-178.6	-50.9	-35.3	0	0	0	111.5	N445 W446	N445-N524 WeakPolarHBondContact CA-OD1 3.14Å; N445-N524 PolarHBondContact OD1-ND2 3.48Å; W446-N524 HydrophobicContact CD2-CB 4.44Å; W446-N524 VanDerWaalsContact CH2-C 3.48Å; W446-N524 VanDerWaalsContact CZ2-C 3.47Å; W446-N524 HydrophobicContact CZ2-CB 4.24Å; W446-N524 WeakPolarHBondContact CZ2-O 3.08Å; W446-N524 PolarHBondContact N-OD1 2.71Å; W446-N524 VanDerWaalsContact O-CA 3.27Å; W446-N524 WeakPolarHBondContact O-CA 3.26Å; W446-N524 PolarHBondContact O-N 2.89Å; W446-N524 PolarHBondContact O-OD1 3.34Å
525	S	98.1	Very high	93.2	Very high	34 Å²	34	71.1 Å²	71.1	24%	0.238	35%	0.347	C	S	.	.	S	Bend	trans	-146.6	171	178.3	82.4	0	0	0	0	111.2	W446 R448 E522 M523	W446-S525 VanDerWaalsContact CZ3-O 3.32Å; W446-S525 WeakPolarHBondContact CZ3-O 3.44Å; R448-S525 PolarHBondContact N-O 2.79Å; E522-S525 WeakPolarHBondContact O-CB 3.23Å; E522-S525 PolarHBondContact O-OG 2.53Å; M523-S525 VanDerWaalsContact C-N 3.27Å; M523-S525 PolarHBondContact O-N 2.81Å
526	V	98.1	Very high	92	Very high	77 Å²	77	72.1 Å²	72.1	47%	0.467	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125.4	173.8	-174.8	0	0	0	0	109.1	W446 R448 V450	W446-V526 HydrophobicContact CZ3-CG2 4.5Å; R448-V526 HydrophobicContact CB-CB 4.43Å; R448-V526 HydrophobicContact CB-CG1 4.38Å; R448-V526 HydrophobicContact CB-CG2 4.02Å; R448-V526 CarbonylContact O-C 3.1Å; R448-V526 WeakPolarHBondContact O-CA 3.32Å; V450-V526 HydrophobicContact CG2-CG1 3.66Å
527	L	98.1	Very high	90.4	Very high	15 Å²	15	75.1 Å²	75.1	8%	0.079	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.7	175.3	-63	-178.8	0	0	0	110.7	L447 R448 V449 V450 V518 E522	L447-L527 HydrophobicContact CD1-CD1 3.9Å; L447-L527 HydrophobicContact CD1-CG 4.05Å; L447-L527 HydrophobicContact CD2-CD1 3.9Å; L447-L527 HydrophobicContact CG-CD1 4.21Å; R448-L527 PolarHBondContact O-N 2.92Å; V449-L527 CarbonylContact C-O 3.58Å; V449-L527 WeakPolarHBondContact CA-O 3.39Å; V450-L527 PolarHBondContact N-O 3.4Å; V518-L527 HydrophobicContact CG1-CD1 4.25Å; V518-L527 HydrophobicContact CG2-CD1 4.17Å; E522-L527 HydrophobicContact CB-CD1 4.45Å; E522-L527 HydrophobicContact CB-CD2 3.69Å; E522-L527 HydrophobicContact CG-CD2 3.82Å
528	E	97.7	Very high	88.3	Confident	101 Å²	101	79.5 Å²	79.5	47%	0.472	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	128.2	166.9	-61.5	-154.4	178.8	0	0	111	V450 R452	V450-E528 HydrophobicContact CB-CG 4.3Å; V450-E528 WeakPolarHBondContact O-CA 3.45Å; R452-E528 IonicContact CZ-OE1 3.41Å; R452-E528 IonicContact CZ-OE2 2.69Å; R452-E528 IonicContact NE-OE1 3.3Å; R452-E528 IonicContact NE-OE2 3.78Å; R452-E528 PolarHBondContact NE-OE2 2.91Å; R452-E528 VanDerWaalsContact NE-OE2 3.11Å; R452-E528 IonicContact NH2-OE1 3.34Å; R452-E528 PolarHBondContact NH2-OE1 2.8Å; R452-E528 IonicContact NH2-OE2 2.71Å; R452-E528 PolarHBondContact NH2-OE2 3.19Å
529	I	97.8	Very high	86.2	Confident	6 Å²	6	86.1 Å²	86.1	3%	0.031	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	109.2	179.2	-54.3	-63.5	0	0	0	109	V449 V450 P451 R452 V504 V506 W508 L514 R516	V449-I529 HydrophobicContact CG1-CG1 3.65Å; V450-I529 PolarHBondContact O-N 2.83Å; P451-I529 CarbonylContact C-O 3.6Å; P451-I529 WeakPolarHBondContact CA-O 3.5Å; R452-I529 PolarHBondContact N-O 2.03Å; V504-I529 HydrophobicContact CG1-CD1 4.17Å; V506-I529 HydrophobicContact CB-CG2 4.29Å; V506-I529 HydrophobicContact CG2-CB 4.02Å; V506-I529 HydrophobicContact CG2-CG1 4.18Å; V506-I529 HydrophobicContact CG2-CG2 3.75Å; W508-I529 HydrophobicContact CH2-CG2 4.04Å; W508-I529 HydrophobicContact CZ2-CG2 4.36Å; L514-I529 HydrophobicContact CD2-CG2 3.85Å; R516-I529 HydrophobicContact CG-CD1 4.45Å
530	L	97.1	Very high	84.4	Confident	116 Å²	116	85.6 Å²	85.6	61%	0.607	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-76	149.2	-179.5	-56.1	-177.7	0	0	0	111.6	R452	R452-L530 HydrophobicContact CB-CD2 4.07Å; R452-L530 HydrophobicContact CG-CD2 3.83Å
531	Y	96.5	Very high	82.8	Confident	31 Å²	31	85.9 Å²	85.9	12%	0.122	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-58.3	133.7	172.4	-179.3	-89.3	0	0	0	111.6	R452 R454 W508 D510 K512 R533	R452-Y531 PolarHBondContact O-N 3.38Å; R454-Y531 HydrophobicContact CB-CD1 3.54Å; R454-Y531 HydrophobicContact CB-CD2 4.45Å; R454-Y531 HydrophobicContact CB-CE1 3.87Å; R454-Y531 HydrophobicContact CB-CG 3.85Å; R454-Y531 PolarHBondContact NH2-OH 3.36Å; W508-Y531 HydrophobicContact CB-CD2 4.39Å; W508-Y531 HydrophobicContact CB-CE2 4.28Å; W508-Y531 AromaticContact CD1-CD2 3.75Å; W508-Y531 AromaticContact CD2-CD2 3.83Å; W508-Y531 HydrophobicContact CD2-CD2 3.83Å; W508-Y531 HydrophobicContact CD2-CE2 4.4Å; W508-Y531 AromaticContact CE2-CD2 3.93Å; W508-Y531 AromaticContact CG-CD2 3.74Å; W508-Y531 HydrophobicContact CG-CD2 3.74Å; W508-Y531 HydrophobicContact CG-CE2 4.11Å; W508-Y531 AromaticContact NE1-CD2 3.83Å; D510-Y531 PolarHBondContact OD2-OH 3.27Å; K512-Y531 HydrophobicContact CB-CE2 4.13Å; K512-Y531 HydrophobicContact CD-CE1 4.08Å; K512-Y531 HydrophobicContact CD-CE2 4.18Å; K512-Y531 WeakPolarHBondContact CD-OH 2.99Å; K512-Y531 WeakPolarHBondContact CE-OH 3.32Å; K512-Y531 HydrophobicContact CG-CE2 4.31Å; K512-Y531 WeakPolarHBondContact CG-OH 3.46Å; Y531-R533 PolarHBondContact O-N 2.82Å
532	P	92.4	Very high	81.7	Confident	9 Å²	9	78 Å²	78	6%	0.058	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-72	128	-173.1	27	-34.6	0	0	0	112.3	W508 K512 L514	W508-P532 HydrophobicContact CE3-CG 4.33Å; W508-P532 VanDerWaalsContact CH2-CD 3.48Å; W508-P532 HydrophobicContact CH2-CG 4.44Å; W508-P532 HydrophobicContact CZ3-CG 3.95Å; K512-P532 HydrophobicContact CB-CG 4.11Å; K512-P532 HydrophobicContact CD-CG 3.97Å; K512-P532 PolarHBondContact NZ-O 2.79Å; L514-P532 HydrophobicContact CB-CB 4.42Å; L514-P532 HydrophobicContact CB-CG 4.41Å
533	R	85.3	Confident	80.9	Confident	170 Å²	170	82.2 Å²	82.2	64%	0.642	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-75.2	155.8	168.9	-62.8	178.3	-69.4	-177.7	-1.3	109.5	Y531 E535 D536	Y531-R533 PolarHBondContact O-N 2.82Å; R533-E535 PolarHBondContact O-N 3.47Å; R533-E535 VanDerWaalsContact O-N 3.12Å; R533-D536 WeakPolarHBondContact CB-OD2 3.44Å; R533-D536 PolarHBondContact N-OD2 2.84Å; R533-D536 IonicContact NE-OD1 3.03Å; R533-D536 IonicContact NE-OD2 2.8Å; R533-D536 IonicContact NH2-OD1 3.77Å; R533-D536 WeakPolarHBondContact O-CB 3.41Å; R533-D536 PolarHBondContact O-N 2.75Å
534	D	75.9	Confident	80.4	Confident	121 Å²	121	82 Å²	82	65%	0.647	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-61.9	-25.2	-177.9	-65.9	-31.2	0	0	0	112.9	K512 D536	K512-D534 IonicContact NZ-OD1 2.92Å; K512-D534 PolarHBondContact NZ-OD1 2.87Å; D534-D536 VanDerWaalsContact C-N 3.35Å
535	E	67.1	Low	80.1	Confident	152 Å²	152	83.8 Å²	83.8	71%	0.71	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-71.2	-25.5	174.3	-61.3	-177.3	173.6	0	0	113.4	R533 K537 L538	R533-E535 PolarHBondContact O-N 3.47Å; R533-E535 VanDerWaalsContact O-N 3.12Å; E535-K537 PolarHBondContact O-N 2.67Å; E535-L538 PolarHBondContact O-N 3.07Å
536	D	66.2	Low	79.7	Confident	26 Å²	26	82.5 Å²	82.5	14%	0.139	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-68.8	-19.2	-174.9	-62.3	-30	0	0	0	111.9	R533 D534 L538 Q539	R533-D536 WeakPolarHBondContact CB-OD2 3.44Å; R533-D536 PolarHBondContact N-OD2 2.84Å; R533-D536 IonicContact NE-OD1 3.03Å; R533-D536 IonicContact NE-OD2 2.8Å; R533-D536 IonicContact NH2-OD1 3.77Å; R533-D536 WeakPolarHBondContact O-CB 3.41Å; R533-D536 PolarHBondContact O-N 2.75Å; D534-D536 VanDerWaalsContact C-N 3.35Å; D536-L538 PolarHBondContact O-N 2.75Å; D536-L538 VanDerWaalsContact O-N 3.12Å; D536-Q539 PolarHBondContact O-N 2.94Å
537	K	58.5	Low	79.1	Confident	163 Å²	163	79.6 Å²	79.6	71%	0.709	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-56.4	-28.6	174.1	-74.7	-171.3	176.9	-178.2	0	113.3	E535	E535-K537 PolarHBondContact O-N 2.67Å
538	L	50.7	Low	78.5	Confident	145 Å²	145	85.2 Å²	85.2	76%	0.759	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-75.9	-23.8	177	-90	101.4	0	0	0	113.3	E535 D536 T541	E535-L538 PolarHBondContact O-N 3.07Å; D536-L538 PolarHBondContact O-N 2.75Å; D536-L538 VanDerWaalsContact O-N 3.12Å; L538-T541 PolarHBondContact O-OG1 3.44Å
539	Q	52.1	Low	78.1	Confident	149 Å²	149	81.1 Å²	81.1	70%	0.696	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-20.6	-175.8	-69.7	-172.1	-1.1	0	0	113.8	D536 T541	D536-Q539 PolarHBondContact O-N 2.94Å; Q539-T541 PolarHBondContact O-N 3.05Å
540	N	57.4	Low	77.9	Confident	30 Å²	30	81.6 Å²	81.6	16%	0.16	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	12.4	-178.3	-75.4	-4.4	0	0	0	115.4	G556	N540-G556 VanDerWaalsContact O-CA 3.29Å; N540-G556 WeakPolarHBondContact O-CA 3.3Å
541	T	61	Low	77.6	Confident	114 Å²	114	78.1 Å²	78.1	70%	0.699	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-0.8	176.7	48.4	0	0	0	0	113.7	L538 Q539	L538-T541 PolarHBondContact O-OG1 3.44Å; Q539-T541 PolarHBondContact O-N 3.05Å
542	A	72.1	Confident	77.3	Confident	58 Å²	58	79.6 Å²	79.6	48%	0.479	41%	0.414	S	S	.	.	S	Bend	trans	-62.8	138.4	173	0	0	0	0	0	110.4	L544 Q552	A542-L544 PolarHBondContact O-N 3.23Å; A542-Q552 PolarHBondContact O-NE2 3.43Å
543	P	81.6	Confident	76.9	Confident	115 Å²	115	82.9 Å²	82.9	75%	0.747	43%	0.429	S	S	*	.			trans	-56.5	127.1	176.2	-22.9	32.3	0	0	0	111.1
544	L	87.2	Confident	76.5	Confident	22 Å²	22	83 Å²	83	12%	0.115	44%	0.442	C	S	.	.			trans	-107.4	133.7	176.3	-72	168.5	0	0	0	110.5	S517 A542 C546 Q552 G556	S517-L544 VanDerWaalsContact N-CD2 3.26Å; A542-L544 PolarHBondContact O-N 3.23Å; L544-C546 PolarHBondContact O-N 2.97Å; L544-Q552 HydrophobicContact CB-CB 4.49Å; L544-Q552 HydrophobicContact CB-CG 4.23Å; L544-Q552 HydrophobicContact CD1-CG 4.46Å; L544-G556 WeakPolarHBondContact CD1-O 3.07Å
545	E	91.2	Very high	76.5	Confident	106 Å²	106	81.4 Å²	81.4	50%	0.495	43%	0.434	S	S	.	.			trans	-84.4	99	167.3	-174.6	177.4	-177.4	0	0	108.6	S502 S503 G547	S502-E545 VanDerWaalsContact CB-O 3.23Å; S502-E545 WeakPolarHBondContact CB-O 3.43Å; S502-E545 PolarHBondContact OG-O 3.06Å; S503-E545 PolarHBondContact OG-O 3.32Å; E545-G547 PolarHBondContact O-N 3.29Å
546	C	89.3	Confident	77.1	Confident	6 Å²	6	74.3 Å²	74.3	4%	0.041	40%	0.401	C	S	.	.			trans	-78.4	0	-178.6	-63	0	0	0	0	114.6	Y467 L544 F550 Q552 C558	Y467-C546 WeakPolarHBondContact CB-O 3.41Å; Y467-C546 WeakPolarHBondContact CD1-O 3.37Å; L544-C546 PolarHBondContact O-N 2.97Å; C546-F550 HydrophobicContact CB-CB 3.6Å; C546-F550 WeakPolarHBondContact O-CB 3.3Å; C546-Q552 PolarHBondContact SG-N 3.22Å; C546-Q552 VanDerWaalsContact SG-N 3.38Å; C546-C558 WeakPolarHBondContact CA-SG 3.13Å; C546-C558 HydrophobicContact CB-CB 3.57Å; C546-C558 WeakPolarHBondContact CB-SG 3.25Å; C546-C558 WeakPolarHBondContact SG-CA 2.98Å; C546-C558 WeakPolarHBondContact SG-CB 3.35Å; C546-C558 CovalentContact SG-SG 2.03Å; C546-C558 PolarHBondContact SG-SG 2.67Å
547	G	86.1	Confident	78	Confident	16 Å²	16	74.1 Å²	74.1	17%	0.165	40%	0.4	C	S	.	.			trans	74.4	-176.9	-176.2	0	0	0	0	0	113.4	T468 E545 F550	T468-G547 VanDerWaalsContact O-CA 3.28Å; T468-G547 WeakPolarHBondContact O-CA 3.39Å; E545-G547 PolarHBondContact O-N 3.29Å; G547-F550 PolarHBondContact O-N 3.15Å
548	Q	86.1	Confident	79.5	Confident	133 Å²	133	66.6 Å²	66.6	62%	0.621	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	132.4	-176.6	-175.4	175.3	-30.3	0	0	111.6	F550	Q548-F550 VanDerWaalsContact C-N 3.31Å; Q548-F550 VanDerWaalsContact O-CD2 3.26Å; Q548-F550 WeakPolarHBondContact O-CD2 3.5Å
549	G	88.5	Confident	81.3	Confident	15 Å²	15	64.5 Å²	64.5	16%	0.155	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-5.7	179.4	0	0	0	0	0	114.8	T561 G583	G549-T561 VanDerWaalsContact O-CB 3.22Å; G549-T561 WeakPolarHBondContact O-CB 3.49Å; G549-T561 PolarHBondContact O-N 2.71Å; G549-T561 PolarHBondContact O-OG1 2.82Å; G549-T561 VanDerWaalsContact O-OG1 3.12Å; G549-G583 WeakPolarHBondContact CA-O 3.38Å
550	F	93.2	Very high	83.2	Confident	16 Å²	16	59.7 Å²	59.7	7%	0.07	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	149.4	-178.1	-59.5	-89.4	0	0	0	111.4	Y467 A473 C546 G547 Q548 M559 D560 Y582 G583	Y467-F550 HydrophobicContact CD1-CB 4.36Å; Y467-F550 HydrophobicContact CD1-CD1 4.42Å; Y467-F550 AromaticContact CD1-CD2 3.9Å; Y467-F550 HydrophobicContact CD1-CD2 3.9Å; Y467-F550 HydrophobicContact CD1-CE2 4.35Å; Y467-F550 AromaticContact CD1-CG 3.97Å; Y467-F550 HydrophobicContact CD1-CG 3.97Å; Y467-F550 HydrophobicContact CE1-CB 4.22Å; Y467-F550 AromaticContact CE1-CD1 3.67Å; Y467-F550 HydrophobicContact CE1-CD1 3.67Å; Y467-F550 AromaticContact CE1-CD2 3.94Å; Y467-F550 HydrophobicContact CE1-CD2 3.94Å; Y467-F550 HydrophobicContact CE1-CE1 4.01Å; Y467-F550 HydrophobicContact CE1-CE2 4.26Å; Y467-F550 AromaticContact CE1-CG 3.66Å; Y467-F550 HydrophobicContact CE1-CG 3.66Å; Y467-F550 HydrophobicContact CE1-CZ 4.3Å; A473-F550 HydrophobicContact CB-CE1 4.4Å; A473-F550 HydrophobicContact CB-CE2 3.71Å; A473-F550 HydrophobicContact CB-CZ 3.62Å; C546-F550 HydrophobicContact CB-CB 3.6Å; C546-F550 WeakPolarHBondContact O-CB 3.3Å; G547-F550 PolarHBondContact O-N 3.15Å; Q548-F550 VanDerWaalsContact C-N 3.31Å; Q548-F550 VanDerWaalsContact O-CD2 3.26Å; Q548-F550 WeakPolarHBondContact O-CD2 3.5Å; F550-M559 CarbonylContact C-O 3.56Å; F550-M559 VanDerWaalsContact CA-O 3.29Å; F550-M559 WeakPolarHBondContact CA-O 3.35Å; F550-D560 HydrophobicContact CD1-CB 4.32Å; F550-D560 HydrophobicContact CE1-CB 4.11Å; F550-Y582 HydrophobicContact CE1-CD1 4.41Å; F550-Y582 AromaticContact CE1-CD2 3.97Å; F550-Y582 HydrophobicContact CE1-CD2 3.97Å; F550-Y582 HydrophobicContact CE1-CE1 4.04Å; F550-Y582 AromaticContact CE1-CE2 3.55Å; F550-Y582 HydrophobicContact CE1-CE2 3.55Å; F550-Y582 HydrophobicContact CE1-CG 4.37Å; F550-Y582 AromaticContact CE1-CZ 3.58Å; F550-Y582 AromaticContact CZ-CD1 3.87Å; F550-Y582 HydrophobicContact CZ-CD1 3.87Å; F550-Y582 HydrophobicContact CZ-CD2 4.21Å; F550-Y582 AromaticContact CZ-CE1 3.63Å; F550-Y582 HydrophobicContact CZ-CE1 3.63Å; F550-Y582 AromaticContact CZ-CE2 3.99Å; F550-Y582 HydrophobicContact CZ-CE2 3.99Å; F550-Y582 HydrophobicContact CZ-CG 4.16Å; F550-Y582 AromaticContact CZ-CZ 3.67Å; F550-G583 VanDerWaalsContact CE2-CA 3.49Å; F550-G583 VanDerWaalsContact CZ-CA 3.48Å
551	S	90.7	Very high	84.9	Confident	44 Å²	44	59.2 Å²	59.2	31%	0.308	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140.7	177.4	48.1	0	0	0	0	111.2	Q553 M559 T561	S551-Q553 PolarHBondContact O-N 2.86Å; S551-M559 PolarHBondContact N-O 3.37Å; S551-M559 PolarHBondContact O-N 2.76Å; S551-T561 PolarHBondContact N-OG1 3.48Å; S551-T561 PolarHBondContact OG-OG1 2.79Å
552	Q	89.7	Confident	86.4	Confident	61 Å²	61	56.7 Å²	56.7	29%	0.285	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	131.9	175.2	-170.7	-178.7	25.1	0	0	109.6	A542 L544 C546 H557	A542-Q552 PolarHBondContact O-NE2 3.43Å; L544-Q552 HydrophobicContact CB-CB 4.49Å; L544-Q552 HydrophobicContact CB-CG 4.23Å; L544-Q552 HydrophobicContact CD1-CG 4.46Å; C546-Q552 PolarHBondContact SG-N 3.22Å; C546-Q552 VanDerWaalsContact SG-N 3.38Å; Q552-H557 CarbonylContact C-O 3.5Å; Q552-H557 WeakPolarHBondContact CA-O 3.3Å
553	Q	84.4	Confident	87.4	Confident	79 Å²	79	54.7 Å²	54.7	37%	0.369	30%	0.295	S	S	.	.			trans	-94.8	169.7	174	-59	-61.9	-52.7	0	0	111.4	S551 N555 G556 H557 M559	S551-Q553 PolarHBondContact O-N 2.86Å; Q553-N555 WeakPolarHBondContact CB-OD1 3.36Å; Q553-N555 PolarHBondContact O-N 3.48Å; Q553-G556 PolarHBondContact O-N 3.48Å; Q553-H557 PolarHBondContact N-O 2.78Å; Q553-M559 HydrophobicContact CG-CB 3.72Å; Q553-M559 HydrophobicContact CG-CG 3.65Å; Q553-M559 HydrophobicContact CG-SD 3.62Å
554	D	78	Confident	87.9	Confident	172 Å²	172	50.5 Å²	50.5	92%	0.92	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.4	-179.3	-67	-23.7	0	0	0	113.9	G556	D554-G556 PolarHBondContact O-N 2.66Å
555	N	75.4	Confident	88.1	Confident	88 Å²	88	55.6 Å²	55.6	47%	0.471	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-1.4	175.7	62.9	7.7	0	0	0	113.6	Q553 H557	Q553-N555 WeakPolarHBondContact CB-OD1 3.36Å; Q553-N555 PolarHBondContact O-N 3.48Å; N555-H557 VanDerWaalsContact CG-CD2 3.4Å; N555-H557 WeakPolarHBondContact OD1-CB 3.39Å; N555-H557 PolarHBondContact OD1-CD2 2.84Å; N555-H557 PolarHBondContact OD1-N 2.82Å
556	G	80.6	Confident	88	Confident	2 Å²	2	55.8 Å²	55.8	2%	0.021	30%	0.295	C	S	.	.	S	Bend	trans	82.7	14.4	179.5	0	0	0	0	0	114.6	N540 L544 Q553 D554	N540-G556 VanDerWaalsContact O-CA 3.29Å; N540-G556 WeakPolarHBondContact O-CA 3.3Å; L544-G556 WeakPolarHBondContact CD1-O 3.07Å; Q553-G556 PolarHBondContact O-N 3.48Å; D554-G556 PolarHBondContact O-N 2.66Å
557	H	85.1	Confident	88	Confident	23 Å²	23	60.5 Å²	60.5	11%	0.106	32%	0.315	C	S	.	.			trans	-109.5	153.8	-179.4	-58.6	-60.4	0	0	0	111.9	E505 S515 Q552 Q553 N555	E505-H557 IonicContact OE2-CG 3.65Å; E505-H557 IonicContact OE2-ND1 3.85Å; S515-H557 PolarHBondContact OG-ND1 2.76Å; Q552-H557 CarbonylContact C-O 3.5Å; Q552-H557 WeakPolarHBondContact CA-O 3.3Å; Q553-H557 PolarHBondContact N-O 2.78Å; N555-H557 VanDerWaalsContact CG-CD2 3.4Å; N555-H557 WeakPolarHBondContact OD1-CB 3.39Å; N555-H557 PolarHBondContact OD1-CD2 2.84Å; N555-H557 PolarHBondContact OD1-N 2.82Å
558	C	88.4	Confident	87.9	Confident	5 Å²	5	64.2 Å²	64.2	3%	0.034	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	120.8	176.8	-68.9	0	0	0	0	109.8	Y467 C546	Y467-C558 HydrophobicContact CD1-CB 4.44Å; Y467-C558 HydrophobicContact CD2-CB 4.14Å; Y467-C558 HydrophobicContact CE1-CB 3.91Å; Y467-C558 HydrophobicContact CE2-CB 3.56Å; Y467-C558 VanDerWaalsContact CZ-CB 3.43Å; Y467-C558 PolarHBondContact OH-O 2.94Å; C546-C558 WeakPolarHBondContact CA-SG 3.13Å; C546-C558 HydrophobicContact CB-CB 3.57Å; C546-C558 WeakPolarHBondContact CB-SG 3.25Å; C546-C558 WeakPolarHBondContact SG-CA 2.98Å; C546-C558 WeakPolarHBondContact SG-CB 3.35Å; C546-C558 CovalentContact SG-SG 2.03Å; C546-C558 PolarHBondContact SG-SG 2.67Å
559	M	90.2	Very high	88	Confident	100 Å²	100	67.2 Å²	67.2	49%	0.493	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	150	176.1	-72.1	-169.2	59.8	0	0	111.4	F550 S551 Q553 T561	F550-M559 CarbonylContact C-O 3.56Å; F550-M559 VanDerWaalsContact CA-O 3.29Å; F550-M559 WeakPolarHBondContact CA-O 3.35Å; S551-M559 PolarHBondContact N-O 3.37Å; S551-M559 PolarHBondContact O-N 2.76Å; Q553-M559 HydrophobicContact CG-CB 3.72Å; Q553-M559 HydrophobicContact CG-CG 3.65Å; Q553-M559 HydrophobicContact CG-SD 3.62Å; M559-T561 PolarHBondContact O-N 3.37Å
560	D	92	Very high	88.1	Confident	49 Å²	49	68.5 Å²	68.5	26%	0.262	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	126.5	173.3	-180	46.3	0	0	0	110.3	F550 N580 T581 Y582 G583	F550-D560 HydrophobicContact CD1-CB 4.32Å; F550-D560 HydrophobicContact CE1-CB 4.11Å; D560-N580 PolarHBondContact OD2-ND2 2.97Å; D560-T581 VanDerWaalsContact OD1-O 3.12Å; D560-Y582 HydrophobicContact CB-CD2 4.27Å; D560-G583 WeakPolarHBondContact OD1-CA 3.41Å; D560-G583 PolarHBondContact OD1-N 2.82Å
561	T	92.2	Very high	88.1	Confident	19 Å²	19	68.6 Å²	68.6	12%	0.117	36%	0.355	C	S	.	.			trans	-81.7	127	180	-57.2	0	0	0	0	108.1	G549 S551 M559 E563 N580	G549-T561 VanDerWaalsContact O-CB 3.22Å; G549-T561 WeakPolarHBondContact O-CB 3.49Å; G549-T561 PolarHBondContact O-N 2.71Å; G549-T561 PolarHBondContact O-OG1 2.82Å; G549-T561 VanDerWaalsContact O-OG1 3.12Å; S551-T561 PolarHBondContact N-OG1 3.48Å; S551-T561 PolarHBondContact OG-OG1 2.79Å; M559-T561 PolarHBondContact O-N 3.37Å; T561-E563 VanDerWaalsContact O-CD 3.24Å; T561-E563 PolarHBondContact O-N 3.45Å; T561-N580 PolarHBondContact O-OD1 2.73Å
562	N	92.3	Very high	88.1	Confident	61 Å²	61	69.6 Å²	69.6	33%	0.326	36%	0.36	S	S	.	.			trans	-81.1	87.5	175.8	-167.1	-40.3	0	0	0	111	C564 I565 Q566 N580	N562-C564 PolarHBondContact O-N 3.46Å; N562-C564 WeakPolarHBondContact OD1-CB 3.17Å; N562-C564 PolarHBondContact OD1-N 3.49Å; N562-I565 HydrophobicContact CB-CB 4.25Å; N562-I565 HydrophobicContact CB-CD1 4.08Å; N562-I565 HydrophobicContact CB-CG1 4.28Å; N562-I565 WeakPolarHBondContact ND2-CD1 3Å; N562-I565 PolarHBondContact O-N 2.97Å; N562-I565 WeakPolarHBondContact OD1-CG1 3.5Å; N562-I565 PolarHBondContact OD1-N 2.83Å; N562-I565 VanDerWaalsContact OD1-N 3.09Å; N562-Q566 PolarHBondContact O-N 3.32Å; N562-N580 VanDerWaalsContact CA-OD1 3.23Å; N562-N580 WeakPolarHBondContact CA-OD1 3.4Å; N562-N580 PolarHBondContact OD1-OD1 3.33Å
563	E	92.2	Very high	88	Confident	17 Å²	17	78.5 Å²	78.5	8%	0.079	39%	0.391	C	S	.	.	H	α-helix	trans	-64.6	-26.4	-177.3	-61.8	89.7	172.6	0	0	112.3	T561 I565 Q566 F567 N580 S584 Y585	T561-E563 VanDerWaalsContact O-CD 3.24Å; T561-E563 PolarHBondContact O-N 3.45Å; E563-I565 VanDerWaalsContact C-N 3.26Å; E563-I565 PolarHBondContact O-N 3.18Å; E563-Q566 PolarHBondContact O-N 3.45Å; E563-F567 HydrophobicContact CB-CD2 4.08Å; E563-F567 HydrophobicContact CG-CD2 4.38Å; E563-F567 CarbonylContact O-C 3.39Å; E563-F567 WeakPolarHBondContact O-CA 3.06Å; E563-F567 WeakPolarHBondContact O-CB 3.3Å; E563-F567 PolarHBondContact O-N 3.06Å; E563-N580 PolarHBondContact N-OD1 2.98Å; E563-N580 VanDerWaalsContact N-OD1 3.15Å; E563-N580 PolarHBondContact OE2-OD1 2.72Å; E563-N580 VanDerWaalsContact OE2-OD1 3.13Å; E563-S584 VanDerWaalsContact OE2-C 3.25Å; E563-Y585 HydrophobicContact CB-CD1 3.5Å; E563-Y585 HydrophobicContact CB-CE1 4.25Å; E563-Y585 HydrophobicContact CB-CG 4Å; E563-Y585 HydrophobicContact CG-CD1 3.74Å; E563-Y585 HydrophobicContact CG-CE1 4.36Å
564	C	92.3	Very high	88.2	Confident	27 Å²	27	80 Å²	80	18%	0.182	40%	0.402	C	S	.	.	H	α-helix	trans	-65.7	-30.1	175.4	-58.9	0	0	0	0	112.7	N562 C578 V579 N580	N562-C564 PolarHBondContact O-N 3.46Å; N562-C564 WeakPolarHBondContact OD1-CB 3.17Å; N562-C564 PolarHBondContact OD1-N 3.49Å; C564-C578 WeakPolarHBondContact CA-SG 3.36Å; C564-C578 HydrophobicContact CB-CB 3.68Å; C564-C578 WeakPolarHBondContact CB-SG 3.29Å; C564-C578 WeakPolarHBondContact SG-CB 3.48Å; C564-C578 CovalentContact SG-SG 2.03Å; C564-C578 PolarHBondContact SG-SG 3.01Å; C564-V579 PolarHBondContact SG-N 2.94Å; C564-V579 VanDerWaalsContact SG-N 3.38Å; C564-N580 PolarHBondContact SG-N 2.83Å; C564-N580 VanDerWaalsContact SG-N 3.37Å
565	I	91.8	Very high	88.8	Confident	129 Å²	129	76.3 Å²	76.3	66%	0.662	38%	0.378	S	S	*	.	H	α-helix	trans	-83.8	-44.5	173.5	-66.1	174.5	0	0	0	110.3	N562 E563 F567	N562-I565 HydrophobicContact CB-CB 4.25Å; N562-I565 HydrophobicContact CB-CD1 4.08Å; N562-I565 HydrophobicContact CB-CG1 4.28Å; N562-I565 WeakPolarHBondContact ND2-CD1 3Å; N562-I565 PolarHBondContact O-N 2.97Å; N562-I565 WeakPolarHBondContact OD1-CG1 3.5Å; N562-I565 PolarHBondContact OD1-N 2.83Å; N562-I565 VanDerWaalsContact OD1-N 3.09Å; E563-I565 VanDerWaalsContact C-N 3.26Å; E563-I565 PolarHBondContact O-N 3.18Å; I565-F567 VanDerWaalsContact C-N 3.34Å; I565-F567 PolarHBondContact O-N 3.01Å
566	Q	88.9	Confident	89.4	Confident	110 Å²	110	75.5 Å²	75.5	51%	0.514	38%	0.377	S	S	.	.	H	α-helix	trans	-68.2	-34.7	-176.3	-166.5	177.8	14.7	0	0	112.4	N562 E563	N562-Q566 PolarHBondContact O-N 3.32Å; E563-Q566 PolarHBondContact O-N 3.45Å
567	F	90.4	Very high	89.8	Confident	104 Å²	104	77.2 Å²	77.2	46%	0.456	39%	0.387	S	S	.	.			trans	-130.8	79.8	-176.9	-52.6	-70.2	0	0	0	110.9	E563 I565 F569 V570	E563-F567 HydrophobicContact CB-CD2 4.08Å; E563-F567 HydrophobicContact CG-CD2 4.38Å; E563-F567 CarbonylContact O-C 3.39Å; E563-F567 WeakPolarHBondContact O-CA 3.06Å; E563-F567 WeakPolarHBondContact O-CB 3.3Å; E563-F567 PolarHBondContact O-N 3.06Å; I565-F567 VanDerWaalsContact C-N 3.34Å; I565-F567 PolarHBondContact O-N 3.01Å; F567-F569 PolarHBondContact O-N 3.24Å; F567-V570 HydrophobicContact CB-CB 3.82Å; F567-V570 HydrophobicContact CB-CG2 4.25Å; F567-V570 VanDerWaalsContact O-CB 3.24Å; F567-V570 WeakPolarHBondContact O-CB 3.42Å; F567-V570 WeakPolarHBondContact O-CG1 3.09Å; F567-V570 PolarHBondContact O-N 2.93Å
568	P	83.9	Confident	90.1	Very high	94 Å²	94	77.8 Å²	77.8	61%	0.61	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-17	-173.1	-27.3	35.4	0	0	0	116.5
569	F	89	Confident	90.1	Very high	197 Å²	197	79.2 Å²	79.2	86%	0.864	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	22	179.2	-54.8	-69.1	0	0	0	112.8	F567 C571	F567-F569 PolarHBondContact O-N 3.24Å; F569-C571 PolarHBondContact O-N 2.79Å
570	V	90.2	Very high	90.1	Very high	41 Å²	41	76.5 Å²	76.5	25%	0.248	39%	0.39	C	S	.	.			trans	-63.1	-29.3	-179.3	73.8	0	0	0	0	112.3	F567 C578 Y585	F567-V570 HydrophobicContact CB-CB 3.82Å; F567-V570 HydrophobicContact CB-CG2 4.25Å; F567-V570 VanDerWaalsContact O-CB 3.24Å; F567-V570 WeakPolarHBondContact O-CB 3.42Å; F567-V570 WeakPolarHBondContact O-CG1 3.09Å; F567-V570 PolarHBondContact O-N 2.93Å; V570-C578 HydrophobicContact CG1-CB 4.46Å; V570-C578 VanDerWaalsContact CG1-SG 3.6Å; V570-Y585 HydrophobicContact CB-CE2 4.05Å; V570-Y585 HydrophobicContact CG1-CD2 3.63Å; V570-Y585 HydrophobicContact CG1-CE2 3.58Å; V570-Y585 HydrophobicContact CG1-CG 4.28Å; V570-Y585 HydrophobicContact CG2-CD1 4.49Å; V570-Y585 HydrophobicContact CG2-CD2 4.2Å; V570-Y585 HydrophobicContact CG2-CE1 3.76Å; V570-Y585 HydrophobicContact CG2-CE2 3.4Å; V570-Y585 WeakPolarHBondContact CG2-OH 3.33Å
571	C	91.6	Very high	89.9	Confident	19 Å²	19	76.1 Å²	76.1	13%	0.128	39%	0.389	C	S	.	.	S	Bend	trans	-85.7	143.3	179.6	-72.3	0	0	0	0	113.9	F569 K575 C578 C587	F569-C571 PolarHBondContact O-N 2.79Å; C571-K575 VanDerWaalsContact CB-O 3.32Å; C571-K575 WeakPolarHBondContact CB-O 3.48Å; C571-C578 WeakPolarHBondContact SG-CA 3.42Å; C571-C578 WeakPolarHBondContact SG-CB 3.45Å; C571-C587 WeakPolarHBondContact CA-SG 3.15Å; C571-C587 HydrophobicContact CB-CB 3.72Å; C571-C587 WeakPolarHBondContact CB-SG 3.47Å; C571-C587 VanDerWaalsContact SG-CA 3.53Å; C571-C587 WeakPolarHBondContact SG-CB 3.31Å; C571-C587 CovalentContact SG-SG 2.03Å; C571-C587 PolarHBondContact SG-SG 3.01Å
572	P	92.2	Very high	89.8	Confident	65 Å²	65	78 Å²	78	42%	0.422	39%	0.394	S	S	.	.			trans	-71.2	160.3	178.1	33.7	-37.4	0	0	0	111.3	D574 K575	P572-D574 VanDerWaalsContact C-N 3.29Å; P572-D574 WeakPolarHBondContact CB-OD1 3.24Å; P572-D574 WeakPolarHBondContact CG-OD1 2.98Å; P572-D574 PolarHBondContact O-N 3.5Å; P572-K575 HydrophobicContact CG-CB 4.32Å; P572-K575 CarbonylContact O-C 3.54Å; P572-K575 PolarHBondContact O-N 2.96Å; P572-K575 VanDerWaalsContact O-N 3.09Å
573	R	87.4	Confident	89.7	Confident	247 Å²	247	75.8 Å²	75.8	93%	0.932	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-29.1	-172	-71.6	-174.9	176.6	-177.3	-0.2	114.5
574	D	88.9	Confident	89.6	Confident	112 Å²	112	76.3 Å²	76.3	60%	0.599	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-25.5	177.3	62.2	-52.1	0	0	0	112.5	P572	P572-D574 VanDerWaalsContact C-N 3.29Å; P572-D574 WeakPolarHBondContact CB-OD1 3.24Å; P572-D574 WeakPolarHBondContact CG-OD1 2.98Å; P572-D574 PolarHBondContact O-N 3.5Å
575	K	89.1	Confident	89.5	Confident	94 Å²	94	78.5 Å²	78.5	41%	0.409	40%	0.397	S	S	.	.	S	Bend	trans	-125.8	64.4	175.3	-62.7	-173.9	-173.1	-179.2	0	111.4	C571 P572 V577 C587 R588 T589	C571-K575 VanDerWaalsContact CB-O 3.32Å; C571-K575 WeakPolarHBondContact CB-O 3.48Å; P572-K575 HydrophobicContact CG-CB 4.32Å; P572-K575 CarbonylContact O-C 3.54Å; P572-K575 PolarHBondContact O-N 2.96Å; P572-K575 VanDerWaalsContact O-N 3.09Å; K575-V577 PolarHBondContact O-N 3.33Å; K575-V577 VanDerWaalsContact O-N 3.15Å; K575-C587 HydrophobicContact CB-CB 3.99Å; K575-C587 WeakPolarHBondContact CD-O 3.33Å; K575-C587 WeakPolarHBondContact O-CB 3.46Å; K575-R588 CarbonylContact C-O 3.57Å; K575-R588 VanDerWaalsContact CA-O 3.28Å; K575-R588 WeakPolarHBondContact CA-O 3.35Å; K575-T589 HydrophobicContact CG-CG2 4.07Å
576	P	89.6	Confident	89.3	Confident	70 Å²	70	74.7 Å²	74.7	46%	0.455	37%	0.374	S	S	.	.			trans	-76.4	-5.3	-164.7	32.8	-37.8	0	0	0	114.4	N590	P576-N590 HydrophobicContact CG-CB 4.01Å
577	V	89.2	Confident	89.4	Confident	38 Å²	38	71 Å²	71	23%	0.23	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	107.6	-179.2	-177.9	0	0	0	0	108.8	K575 V579 C587 R588 N590	K575-V577 PolarHBondContact O-N 3.33Å; K575-V577 VanDerWaalsContact O-N 3.15Å; V577-V579 HydrophobicContact CG1-CG2 4.39Å; V577-C587 WeakPolarHBondContact O-CA 3.31Å; V577-R588 HydrophobicContact CB-CG 3.87Å; V577-R588 HydrophobicContact CG1-CG 4.06Å; V577-R588 PolarHBondContact N-O 3.16Å; V577-R588 VanDerWaalsContact N-O 3.14Å; V577-R588 PolarHBondContact O-N 3.45Å; V577-N590 HydrophobicContact CG2-CB 3.66Å
578	C	91.2	Very high	89.2	Confident	35 Å²	35	69 Å²	69	24%	0.236	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	135.5	171.4	-168.5	0	0	0	0	110.6	C564 V570 C571	C564-C578 WeakPolarHBondContact CA-SG 3.36Å; C564-C578 HydrophobicContact CB-CB 3.68Å; C564-C578 WeakPolarHBondContact CB-SG 3.29Å; C564-C578 WeakPolarHBondContact SG-CB 3.48Å; C564-C578 CovalentContact SG-SG 2.03Å; C564-C578 PolarHBondContact SG-SG 3.01Å; V570-C578 HydrophobicContact CG1-CB 4.46Å; V570-C578 VanDerWaalsContact CG1-SG 3.6Å; C571-C578 WeakPolarHBondContact SG-CA 3.42Å; C571-C578 WeakPolarHBondContact SG-CB 3.45Å
579	V	88.2	Confident	89.3	Confident	36 Å²	36	66.9 Å²	66.9	22%	0.218	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	119.7	173.9	179.6	0	0	0	0	107.5	C564 V577 Y585 R586 R588	C564-V579 PolarHBondContact SG-N 2.94Å; C564-V579 VanDerWaalsContact SG-N 3.38Å; V577-V579 HydrophobicContact CG1-CG2 4.39Å; V579-Y585 WeakPolarHBondContact O-CA 3.42Å; V579-R586 HydrophobicContact CB-CG 3.81Å; V579-R586 HydrophobicContact CG1-CG 4.33Å; V579-R586 PolarHBondContact N-O 2.68Å; V579-R586 PolarHBondContact O-N 3.39Å; V579-R588 HydrophobicContact CG2-CG 4.28Å
580	N	89.6	Confident	88.9	Confident	43 Å²	43	62.4 Å²	62.4	23%	0.23	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	141.8	177.1	-152.9	61.5	0	0	0	110.6	D560 T561 N562 E563 C564	D560-N580 PolarHBondContact OD2-ND2 2.97Å; T561-N580 PolarHBondContact O-OD1 2.73Å; N562-N580 VanDerWaalsContact CA-OD1 3.23Å; N562-N580 WeakPolarHBondContact CA-OD1 3.4Å; N562-N580 PolarHBondContact OD1-OD1 3.33Å; E563-N580 PolarHBondContact N-OD1 2.98Å; E563-N580 VanDerWaalsContact N-OD1 3.15Å; E563-N580 PolarHBondContact OE2-OD1 2.72Å; E563-N580 VanDerWaalsContact OE2-OD1 3.13Å; C564-N580 PolarHBondContact SG-N 2.83Å; C564-N580 VanDerWaalsContact SG-N 3.37Å
581	T	88.4	Confident	88.4	Confident	41 Å²	41	64.7 Å²	64.7	25%	0.252	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	164.8	176.3	53.6	0	0	0	0	109.4	D560 G583 S584 Y585 R586	D560-T581 VanDerWaalsContact OD1-O 3.12Å; T581-G583 PolarHBondContact O-N 3.13Å; T581-G583 VanDerWaalsContact O-N 3.08Å; T581-S584 CarbonylContact C-O 3.59Å; T581-S584 VanDerWaalsContact C-O 3.25Å; T581-S584 VanDerWaalsContact CA-O 3.3Å; T581-S584 WeakPolarHBondContact CA-O 3.33Å; T581-S584 PolarHBondContact N-O 3.42Å; T581-S584 PolarHBondContact O-N 3.21Å; T581-S584 PolarHBondContact OG1-O 3.41Å; T581-Y585 PolarHBondContact OG1-N 2.81Å; T581-R586 HydrophobicContact CG2-CB 4.45Å; T581-R586 HydrophobicContact CG2-CG 4.08Å
582	Y	89.9	Confident	87.8	Confident	57 Å²	57	74.3 Å²	74.3	22%	0.224	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	112.6	-178.4	-171	-109.4	0	0	0	111.2	D304 A473 F550 D560 S584	D304-Y582 VanDerWaalsContact C-CD1 3.44Å; D304-Y582 VanDerWaalsContact O-CB 3.26Å; D304-Y582 WeakPolarHBondContact O-CB 3.22Å; A473-Y582 HydrophobicContact CB-CE1 3.65Å; F550-Y582 HydrophobicContact CE1-CD1 4.41Å; F550-Y582 AromaticContact CE1-CD2 3.97Å; F550-Y582 HydrophobicContact CE1-CD2 3.97Å; F550-Y582 HydrophobicContact CE1-CE1 4.04Å; F550-Y582 AromaticContact CE1-CE2 3.55Å; F550-Y582 HydrophobicContact CE1-CE2 3.55Å; F550-Y582 HydrophobicContact CE1-CG 4.37Å; F550-Y582 AromaticContact CE1-CZ 3.58Å; F550-Y582 AromaticContact CZ-CD1 3.87Å; F550-Y582 HydrophobicContact CZ-CD1 3.87Å; F550-Y582 HydrophobicContact CZ-CD2 4.21Å; F550-Y582 AromaticContact CZ-CE1 3.63Å; F550-Y582 HydrophobicContact CZ-CE1 3.63Å; F550-Y582 AromaticContact CZ-CE2 3.99Å; F550-Y582 HydrophobicContact CZ-CE2 3.99Å; F550-Y582 HydrophobicContact CZ-CG 4.16Å; F550-Y582 AromaticContact CZ-CZ 3.67Å; D560-Y582 HydrophobicContact CB-CD2 4.27Å; Y582-S584 VanDerWaalsContact C-N 3.33Å
583	G	89.9	Confident	87.3	Confident	16 Å²	16	72.8 Å²	72.8	17%	0.165	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	75	11.6	-177.7	0	0	0	0	0	115.2	G549 F550 D560 T581	G549-G583 WeakPolarHBondContact CA-O 3.38Å; F550-G583 VanDerWaalsContact CE2-CA 3.49Å; F550-G583 VanDerWaalsContact CZ-CA 3.48Å; D560-G583 WeakPolarHBondContact OD1-CA 3.41Å; D560-G583 PolarHBondContact OD1-N 2.82Å; T581-G583 PolarHBondContact O-N 3.13Å; T581-G583 VanDerWaalsContact O-N 3.08Å
584	S	89.9	Confident	87	Confident	27 Å²	27	64.7 Å²	64.7	19%	0.189	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	-173.1	-178.5	-169	0	0	0	0	111.5	E563 T581 Y582	E563-S584 VanDerWaalsContact OE2-C 3.25Å; T581-S584 CarbonylContact C-O 3.59Å; T581-S584 VanDerWaalsContact C-O 3.25Å; T581-S584 VanDerWaalsContact CA-O 3.3Å; T581-S584 WeakPolarHBondContact CA-O 3.33Å; T581-S584 PolarHBondContact N-O 3.42Å; T581-S584 PolarHBondContact O-N 3.21Å; T581-S584 PolarHBondContact OG1-O 3.41Å; Y582-S584 VanDerWaalsContact C-N 3.33Å
585	Y	90.1	Very high	86.6	Confident	74 Å²	74	71.8 Å²	71.8	29%	0.29	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	153.4	171.7	63.5	-78.5	0	0	0	110.5	H385 E563 V570 V579 T581	H385-Y585 PolarHBondContact CE1-O 2.63Å; H385-Y585 PolarHBondContact NE2-O 2.59Å; E563-Y585 HydrophobicContact CB-CD1 3.5Å; E563-Y585 HydrophobicContact CB-CE1 4.25Å; E563-Y585 HydrophobicContact CB-CG 4Å; E563-Y585 HydrophobicContact CG-CD1 3.74Å; E563-Y585 HydrophobicContact CG-CE1 4.36Å; V570-Y585 HydrophobicContact CB-CE2 4.05Å; V570-Y585 HydrophobicContact CG1-CD2 3.63Å; V570-Y585 HydrophobicContact CG1-CE2 3.58Å; V570-Y585 HydrophobicContact CG1-CG 4.28Å; V570-Y585 HydrophobicContact CG2-CD1 4.49Å; V570-Y585 HydrophobicContact CG2-CD2 4.2Å; V570-Y585 HydrophobicContact CG2-CE1 3.76Å; V570-Y585 HydrophobicContact CG2-CE2 3.4Å; V570-Y585 WeakPolarHBondContact CG2-OH 3.33Å; V579-Y585 WeakPolarHBondContact O-CA 3.42Å; T581-Y585 PolarHBondContact OG1-N 2.81Å
586	R	88.5	Confident	85.9	Confident	49 Å²	49	69 Å²	69	19%	0.185	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	148.9	171.9	72.1	177.9	176.1	178.4	-6.3	111.8	H385 V579 T581 E601	H385-R586 HydrophobicContact CB-CB 4.44Å; H385-R586 WeakPolarHBondContact ND1-CB 3.45Å; V579-R586 HydrophobicContact CB-CG 3.81Å; V579-R586 HydrophobicContact CG1-CG 4.33Å; V579-R586 PolarHBondContact N-O 2.68Å; V579-R586 PolarHBondContact O-N 3.39Å; T581-R586 HydrophobicContact CG2-CB 4.45Å; T581-R586 HydrophobicContact CG2-CG 4.08Å; R586-E601 IonicContact NH1-OE2 3.61Å; R586-E601 PolarHBondContact NH1-OE2 2.86Å; R586-E601 IonicContact NH2-OE2 3.97Å
587	C	90.2	Very high	85.2	Confident	31 Å²	31	69.6 Å²	69.6	21%	0.209	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.9	177.4	-59.8	0	0	0	0	110.6	C571 K575 V577	C571-C587 WeakPolarHBondContact CA-SG 3.15Å; C571-C587 HydrophobicContact CB-CB 3.72Å; C571-C587 WeakPolarHBondContact CB-SG 3.47Å; C571-C587 VanDerWaalsContact SG-CA 3.53Å; C571-C587 WeakPolarHBondContact SG-CB 3.31Å; C571-C587 CovalentContact SG-SG 2.03Å; C571-C587 PolarHBondContact SG-SG 3.01Å; K575-C587 HydrophobicContact CB-CB 3.99Å; K575-C587 WeakPolarHBondContact CD-O 3.33Å; K575-C587 WeakPolarHBondContact O-CB 3.46Å; V577-C587 WeakPolarHBondContact O-CA 3.31Å
588	R	86.4	Confident	84.2	Confident	64 Å²	64	72.3 Å²	72.3	24%	0.242	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	160.6	178	69	179.2	-177.6	160.9	-0.8	113.3	K575 V577 V579 N600 E601	K575-R588 CarbonylContact C-O 3.57Å; K575-R588 VanDerWaalsContact CA-O 3.28Å; K575-R588 WeakPolarHBondContact CA-O 3.35Å; V577-R588 HydrophobicContact CB-CG 3.87Å; V577-R588 HydrophobicContact CG1-CG 4.06Å; V577-R588 PolarHBondContact N-O 3.16Å; V577-R588 VanDerWaalsContact N-O 3.14Å; V577-R588 PolarHBondContact O-N 3.45Å; V579-R588 HydrophobicContact CG2-CG 4.28Å; R588-N600 PolarHBondContact NH1-O 2.9Å; R588-E601 WeakPolarHBondContact CD-O 3.23Å
589	T	84.9	Confident	83.1	Confident	49 Å²	49	72.5 Å²	72.5	30%	0.301	35%	0.353	S	S	.	.			trans	-66.6	143.2	176.6	48.7	0	0	0	0	111	K575 K591 G603	K575-T589 HydrophobicContact CG-CG2 4.07Å; T589-K591 PolarHBondContact O-N 3.12Å; T589-G603 PolarHBondContact OG1-O 2.76Å
590	N	82	Confident	82	Confident	102 Å²	102	72.5 Å²	72.5	55%	0.545	35%	0.351	S	S	.	.			trans	-80.9	64.2	176	-166.9	5.2	0	0	0	111.7	P576 V577 R592	P576-N590 HydrophobicContact CG-CB 4.01Å; V577-N590 HydrophobicContact CG2-CB 3.66Å; N590-R592 PolarHBondContact O-N 3.2Å
591	K	80.2	Confident	80.7	Confident	89 Å²	89	74.4 Å²	74.4	39%	0.387	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-77.8	120	177.3	-170.2	168.6	-169.7	165.3	0	109.3	T589 P599 G603 T604	T589-K591 PolarHBondContact O-N 3.12Å; K591-P599 WeakPolarHBondContact O-CG 3.44Å; K591-G603 WeakPolarHBondContact CB-O 3.09Å; K591-G603 WeakPolarHBondContact CD-O 3.46Å; K591-T604 WeakPolarHBondContact CD-O 3.23Å; K591-T604 PolarHBondContact NZ-O 3.46Å
592	R	79	Confident	79.5	Confident	221 Å²	221	76.8 Å²	76.8	83%	0.834	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-86.7	127.8	172.8	-68.9	-173.9	178.9	-167.8	-0.3	109.5	N590	N590-R592 PolarHBondContact O-N 3.2Å
593	C	80.1	Confident	78.3	Confident	33 Å²	33	74.1 Å²	74.1	22%	0.223	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-103.1	150.3	177.2	-63.9	0	0	0	0	111.3	Y597 C606	C593-Y597 WeakPolarHBondContact CB-O 3.36Å; C593-C606 WeakPolarHBondContact CA-SG 3.2Å; C593-C606 HydrophobicContact CB-CB 3.72Å; C593-C606 WeakPolarHBondContact CB-SG 3.17Å; C593-C606 WeakPolarHBondContact SG-CA 3.45Å; C593-C606 WeakPolarHBondContact SG-CB 3.47Å; C593-C606 CovalentContact SG-SG 2.03Å; C593-C606 PolarHBondContact SG-SG 3.12Å
594	S	82.5	Confident	77.3	Confident	78 Å²	78	77.2 Å²	77.2	55%	0.545	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-65	155.1	174.7	42.5	0	0	0	0	111.2	G596 Y597	S594-G596 PolarHBondContact O-N 3.39Å; S594-Y597 WeakPolarHBondContact O-CA 3.31Å; S594-Y597 WeakPolarHBondContact O-CB 3.24Å; S594-Y597 PolarHBondContact O-N 3.38Å
595	R	79.9	Confident	76.3	Confident	260 Å²	260	77.7 Å²	77.7	98%	0.981	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	126.8	179.7	-161.3	176.8	-174.8	178.6	1.3	111
596	G	75.2	Confident	75.7	Confident	35 Å²	35	76.4 Å²	76.4	36%	0.361	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.9	-1.6	-173.4	0	0	0	0	0	114.9	S594 T609	S594-G596 PolarHBondContact O-N 3.39Å; G596-T609 PolarHBondContact O-N 2.92Å; G596-T609 VanDerWaalsContact O-N 3.17Å; G596-T609 PolarHBondContact O-OG1 2.92Å
597	Y	73.5	Confident	74.9	Confident	83 Å²	83	77.6 Å²	77.6	33%	0.325	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.5	175.5	-64.1	-101.7	0	0	0	109.9	C593 S594 V607 G608 P614	C593-Y597 WeakPolarHBondContact CB-O 3.36Å; S594-Y597 WeakPolarHBondContact O-CA 3.31Å; S594-Y597 WeakPolarHBondContact O-CB 3.24Å; S594-Y597 PolarHBondContact O-N 3.38Å; Y597-V607 CarbonylContact C-O 3.4Å; Y597-V607 VanDerWaalsContact CA-O 3.28Å; Y597-V607 WeakPolarHBondContact CA-O 3.34Å; Y597-G608 VanDerWaalsContact CD1-CA 3.48Å; Y597-P614 WeakPolarHBondContact OH-CG 3.28Å
598	E	68.9	Low	73.5	Confident	96 Å²	96	77.9 Å²	77.9	45%	0.449	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	153.4	176	-64.4	-172.8	-177	0	0	109.9	H327 N600 C606 V607 T609	H327-E598 IonicContact CE1-OE1 3.27Å; H327-E598 IonicContact CE1-OE2 3.16Å; E598-N600 PolarHBondContact O-N 2.97Å; E598-C606 CarbonylContact O-C 3.54Å; E598-C606 WeakPolarHBondContact O-CA 3.48Å; E598-V607 PolarHBondContact N-O 3.48Å; E598-V607 WeakPolarHBondContact O-CG2 3.29Å; E598-V607 PolarHBondContact O-N 2.93Å; E598-T609 HydrophobicContact CG-CG2 4.44Å
599	P	68.6	Low	72	Confident	39 Å²	39	77.7 Å²	77.7	25%	0.253	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	135.5	173.1	-18.4	32	0	0	0	109	K591 A605	K591-P599 WeakPolarHBondContact O-CG 3.44Å; P599-A605 CarbonylContact C-O 3.57Å; P599-A605 VanDerWaalsContact CA-O 3.24Å; P599-A605 WeakPolarHBondContact CA-O 3.39Å
600	N	63.7	Low	70.1	Confident	35 Å²	35	83.8 Å²	83.8	19%	0.187	44%	0.439	C	S	.	.			trans	-57.3	172.9	166.7	68.1	-19.9	0	0	0	110.3	R588 E598 D602 G603 T604 A605 V607	R588-N600 PolarHBondContact NH1-O 2.9Å; E598-N600 PolarHBondContact O-N 2.97Å; N600-D602 VanDerWaalsContact C-N 3.27Å; N600-D602 PolarHBondContact O-N 3.12Å; N600-G603 WeakPolarHBondContact O-CA 3.48Å; N600-G603 PolarHBondContact O-N 3.45Å; N600-G603 PolarHBondContact OD1-N 2.74Å; N600-G603 VanDerWaalsContact OD1-N 3.16Å; N600-T604 PolarHBondContact ND2-OG1 3.45Å; N600-T604 VanDerWaalsContact ND2-OG1 3.1Å; N600-T604 PolarHBondContact OD1-N 3.2Å; N600-T604 PolarHBondContact OD1-OG1 3.08Å; N600-A605 PolarHBondContact N-O 3.25Å; N600-A605 PolarHBondContact OD1-N 3.07Å; N600-A605 PolarHBondContact OD1-O 3.32Å; N600-V607 HydrophobicContact CB-CG1 4.03Å; N600-V607 HydrophobicContact CB-CG2 4.33Å
601	E	62.7	Low	68.2	Low	84 Å²	84	82.6 Å²	82.6	39%	0.393	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-45	-175.4	-67.1	-158.1	178.5	0	0	113.5	M324 R586 R588 G603	M324-E601 WeakPolarHBondContact CE-OE1 3.35Å; R586-E601 IonicContact NH1-OE2 3.61Å; R586-E601 PolarHBondContact NH1-OE2 2.86Å; R586-E601 IonicContact NH2-OE2 3.97Å; R588-E601 WeakPolarHBondContact CD-O 3.23Å; E601-G603 PolarHBondContact O-N 3.26Å
602	D	62.9	Low	65.8	Low	91 Å²	91	86 Å²	86	49%	0.487	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-8.4	178.7	-56	-34.4	0	0	0	114.1	N600 T604	N600-D602 VanDerWaalsContact C-N 3.27Å; N600-D602 PolarHBondContact O-N 3.12Å; D602-T604 HydrophobicContact CB-CG2 3.84Å; D602-T604 PolarHBondContact O-N 2.89Å
603	G	65.1	Low	63.6	Low	0 Å²	0	81.3 Å²	81.3	0%	0	47%	0.469	C	S	.	.	S	Bend	trans	67.5	13.7	-173.8	0	0	0	0	0	114.1	T589 K591 N600 E601	T589-G603 PolarHBondContact OG1-O 2.76Å; K591-G603 WeakPolarHBondContact CB-O 3.09Å; K591-G603 WeakPolarHBondContact CD-O 3.46Å; N600-G603 WeakPolarHBondContact O-CA 3.48Å; N600-G603 PolarHBondContact O-N 3.45Å; N600-G603 PolarHBondContact OD1-N 2.74Å; N600-G603 VanDerWaalsContact OD1-N 3.16Å; E601-G603 PolarHBondContact O-N 3.26Å
604	T	68.1	Low	61.4	Low	82 Å²	82	84.4 Å²	84.4	50%	0.503	49%	0.488	S	S	.	.	S	Bend	trans	-88.7	-21.4	-175.6	55.9	0	0	0	0	113.4	K591 N600 D602	K591-T604 WeakPolarHBondContact CD-O 3.23Å; K591-T604 PolarHBondContact NZ-O 3.46Å; N600-T604 PolarHBondContact ND2-OG1 3.45Å; N600-T604 VanDerWaalsContact ND2-OG1 3.1Å; N600-T604 PolarHBondContact OD1-N 3.2Å; N600-T604 PolarHBondContact OD1-OG1 3.08Å; D602-T604 HydrophobicContact CB-CG2 3.84Å; D602-T604 PolarHBondContact O-N 2.89Å
605	A	70.6	Confident	59.1	Low	37 Å²	37	83.8 Å²	83.8	31%	0.306	49%	0.494	S	S	.	.	S	Bend	trans	-137.8	160.8	-178.1	0	0	0	0	0	111.4	P599 N600	P599-A605 CarbonylContact C-O 3.57Å; P599-A605 VanDerWaalsContact CA-O 3.24Å; P599-A605 WeakPolarHBondContact CA-O 3.39Å; N600-A605 PolarHBondContact N-O 3.25Å; N600-A605 PolarHBondContact OD1-N 3.07Å; N600-A605 PolarHBondContact OD1-O 3.32Å
606	C	75.8	Confident	57	Low	46 Å²	46	77.4 Å²	77.4	31%	0.311	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	120.9	172.5	-66.5	0	0	0	0	108.4	C593 E598	C593-C606 WeakPolarHBondContact CA-SG 3.2Å; C593-C606 HydrophobicContact CB-CB 3.72Å; C593-C606 WeakPolarHBondContact CB-SG 3.17Å; C593-C606 WeakPolarHBondContact SG-CA 3.45Å; C593-C606 WeakPolarHBondContact SG-CB 3.47Å; C593-C606 CovalentContact SG-SG 2.03Å; C593-C606 PolarHBondContact SG-SG 3.12Å; E598-C606 CarbonylContact O-C 3.54Å; E598-C606 WeakPolarHBondContact O-CA 3.48Å
607	V	71.9	Confident	55	Low	75 Å²	75	87.6 Å²	87.6	46%	0.455	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	137.6	178.8	-69.2	0	0	0	0	109.3	Y597 E598 N600	Y597-V607 CarbonylContact C-O 3.4Å; Y597-V607 VanDerWaalsContact CA-O 3.28Å; Y597-V607 WeakPolarHBondContact CA-O 3.34Å; E598-V607 PolarHBondContact N-O 3.48Å; E598-V607 WeakPolarHBondContact O-CG2 3.29Å; E598-V607 PolarHBondContact O-N 2.93Å; N600-V607 HydrophobicContact CB-CG1 4.03Å; N600-V607 HydrophobicContact CB-CG2 4.33Å
608	G	61.2	Low	52.9	Low	36 Å²	36	88.3 Å²	88.3	37%	0.371	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	139.8	178.4	0	0	0	0	0	110.1	Y597 L610	Y597-G608 VanDerWaalsContact CD1-CA 3.48Å; G608-L610 PolarHBondContact O-N 2.91Å
609	T	55	Low	51.3	Low	61 Å²	61	87.3 Å²	87.3	37%	0.374	53%	0.532	S	S	.	.			trans	-62	110.8	167.1	47.5	0	0	0	0	107.6	G596 E598 G611	G596-T609 PolarHBondContact O-N 2.92Å; G596-T609 VanDerWaalsContact O-N 3.17Å; G596-T609 PolarHBondContact O-OG1 2.92Å; E598-T609 HydrophobicContact CG-CG2 4.44Å; T609-G611 PolarHBondContact O-N 2.94Å
610	L	45.3	Very low	50	Low	177 Å²	177	91.6 Å²	91.6	93%	0.927	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.6	112.3	-178.7	-84	156.6	0	0	0	110.3	G608	G608-L610 PolarHBondContact O-N 2.91Å
611	G	42.8	Very low	49.1	Very low	76 Å²	76	93.8 Å²	93.8	78%	0.784	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	146.2	-13.9	-177.1	0	0	0	0	0	115.9	T609	T609-G611 PolarHBondContact O-N 2.94Å
612	Q	29.4	Very low	48.4	Very low	161 Å²	161	92.1 Å²	92.1	75%	0.752	58%	0.581	S	S	*	*			trans	-136.7	91.9	176.3	-66.5	-174.8	7.4	0	0	111.3	P614	Q612-P614 WeakPolarHBondContact O-CD 3.5Å
613	S	32.4	Very low	47.3	Very low	122 Å²	122	90.8 Å²	90.8	85%	0.853	58%	0.582	S	S	*	*			trans	-77.1	121.7	165.3	-73.7	0	0	0	0	109.4	G615	S613-G615 PolarHBondContact O-N 3.41Å
614	P	34.6	Very low	46.3	Very low	98 Å²	98	94.4 Å²	94.4	64%	0.636	61%	0.613	S	S	*	*			trans	-84.9	94.5	175.6	33.3	-29.4	0	0	0	109	Y597 Q612	Y597-P614 WeakPolarHBondContact OH-CG 3.28Å; Q612-P614 WeakPolarHBondContact O-CD 3.5Å
615	G	33.7	Very low	45.2	Very low	65 Å²	65	93.6 Å²	93.6	67%	0.67	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-64.9	137.5	167.7	0	0	0	0	0	110.7	S613	S613-G615 PolarHBondContact O-N 3.41Å
616	P	34.9	Very low	43.9	Very low	126 Å²	126	94.6 Å²	94.6	82%	0.818	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-65.9	137.7	179.8	25.5	-30.7	0	0	0	110.9
617	R	33.1	Very low	42.2	Very low	249 Å²	249	95.6 Å²	95.6	94%	0.94	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-47.9	121.9	-179.5	-88	179.6	171.1	-177.6	-3.3	111.1	S619	R617-S619 PolarHBondContact O-N 2.96Å
618	P	31	Very low	40.8	Very low	99 Å²	99	95.3 Å²	95.3	64%	0.643	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-71.8	129.6	-177.4	26.3	-30.8	0	0	0	110.8	S622	P618-S622 VanDerWaalsContact CB-OG 3.29Å; P618-S622 WeakPolarHBondContact CB-OG 2.95Å
619	S	34.8	Very low	39.8	Very low	74 Å²	74	96.5 Å²	96.5	52%	0.517	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-69.1	153.3	167.8	70.1	0	0	0	0	110.3	R617 A621 S622	R617-S619 PolarHBondContact O-N 2.96Å; S619-A621 PolarHBondContact O-N 3.05Å; S619-S622 PolarHBondContact O-N 2.96Å; S619-S622 PolarHBondContact O-OG 3.13Å; S619-S622 VanDerWaalsContact O-OG 3.05Å
620	P	41.8	Very low	38.9	Very low	129 Å²	129	96.9 Å²	96.9	84%	0.838	66%	0.655	S	S	*	*	H	α-helix	trans	-60.3	-18.9	-170	-21.6	31.7	0	0	0	114.8
621	A	45	Very low	38.4	Very low	82 Å²	82	92.1 Å²	92.1	68%	0.678	64%	0.642	S	S	*	*	H	α-helix	trans	-77.2	-24.9	176.7	0	0	0	0	0	113.5	S619	S619-A621 PolarHBondContact O-N 3.05Å
622	S	46.7	Very low	38.1	Very low	49 Å²	49	92 Å²	92	34%	0.343	63%	0.633	S	S	.	*	H	α-helix	trans	-84.9	-19.5	-177.7	67.6	0	0	0	0	113.4	P618 S619 A625 A626	P618-S622 VanDerWaalsContact CB-OG 3.29Å; P618-S622 WeakPolarHBondContact CB-OG 2.95Å; S619-S622 PolarHBondContact O-N 2.96Å; S619-S622 PolarHBondContact O-OG 3.13Å; S619-S622 VanDerWaalsContact O-OG 3.05Å; S622-A625 PolarHBondContact O-N 3.4Å; S622-A626 WeakPolarHBondContact O-CB 3.11Å; S622-A626 PolarHBondContact O-N 3.15Å
623	A	39.3	Very low	38.5	Very low	62 Å²	62	88.5 Å²	88.5	51%	0.512	63%	0.631	S	S	.	*	H	α-helix	trans	-67.2	-36.7	178.8	0	0	0	0	0	112.3	A627	A623-A627 PolarHBondContact O-N 3.3Å
624	A	45.6	Very low	38.4	Very low	77 Å²	77	87.2 Å²	87.2	64%	0.636	63%	0.628	S	S	*	*	H	α-helix	trans	-70.6	-36.3	176.8	0	0	0	0	0	112.3	A628	A624-A628 PolarHBondContact O-N 2.94Å
625	A	45.3	Very low	38.1	Very low	64 Å²	64	85.6 Å²	85.6	53%	0.529	63%	0.63	S	S	.	*	H	α-helix	trans	-73.4	-37.3	177.2	0	0	0	0	0	112.4	S622 A628 A629	S622-A625 PolarHBondContact O-N 3.4Å; A625-A628 PolarHBondContact O-N 3.17Å; A625-A629 PolarHBondContact O-N 3.32Å
626	A	41.6	Very low	37.9	Very low	58 Å²	58	86.4 Å²	86.4	48%	0.479	63%	0.63	S	S	.	*	H	α-helix	trans	-68.2	-35.6	178.6	0	0	0	0	0	112.6	S622 A628 A629 A630	S622-A626 WeakPolarHBondContact O-CB 3.11Å; S622-A626 PolarHBondContact O-N 3.15Å; A626-A628 VanDerWaalsContact C-N 3.32Å; A626-A628 PolarHBondContact O-N 3.45Å; A626-A629 PolarHBondContact O-N 3.15Å; A626-A630 WeakPolarHBondContact O-CB 3.4Å; A626-A630 PolarHBondContact O-N 3.49Å
627	A	41.3	Very low	37.5	Very low	68 Å²	68	87.7 Å²	87.7	56%	0.562	64%	0.636	S	S	*	*	H	α-helix	trans	-65.7	-35.6	174.3	0	0	0	0	0	112.2	A623 A631	A623-A627 PolarHBondContact O-N 3.3Å; A627-A631 PolarHBondContact O-N 3.04Å
628	A	41.3	Very low	37.2	Very low	68 Å²	68	81.9 Å²	81.9	56%	0.562	63%	0.628	S	S	*	*	H	α-helix	trans	-71.1	-36.8	175.2	0	0	0	0	0	112.5	A624 A625 A626 A632	A624-A628 PolarHBondContact O-N 2.94Å; A625-A628 PolarHBondContact O-N 3.17Å; A626-A628 VanDerWaalsContact C-N 3.32Å; A626-A628 PolarHBondContact O-N 3.45Å; A628-A632 PolarHBondContact O-N 2.95Å
629	A	40.3	Very low	37	Very low	62 Å²	62	82.1 Å²	82.1	51%	0.512	64%	0.638	S	S	.	*	H	α-helix	trans	-73.1	-36.2	177.9	0	0	0	0	0	112.9	A625 A626 A631 A632 A633	A625-A629 PolarHBondContact O-N 3.32Å; A626-A629 PolarHBondContact O-N 3.15Å; A629-A631 VanDerWaalsContact C-N 3.31Å; A629-A631 PolarHBondContact O-N 3.44Å; A629-A632 PolarHBondContact O-N 3.14Å; A629-A632 VanDerWaalsContact O-N 3.15Å; A629-A633 PolarHBondContact O-N 3.36Å; A629-A633 VanDerWaalsContact O-N 3.14Å
630	A	37	Very low	36.5	Very low	68 Å²	68	82.8 Å²	82.8	56%	0.562	65%	0.648	S	S	*	*	H	α-helix	trans	-66.9	-31.7	177.3	0	0	0	0	0	112.5	A626 A632	A626-A630 WeakPolarHBondContact O-CB 3.4Å; A626-A630 PolarHBondContact O-N 3.49Å; A630-A632 VanDerWaalsContact C-N 3.33Å
631	A	35.6	Very low	35.8	Very low	78 Å²	78	82.5 Å²	82.5	65%	0.645	65%	0.647	S	S	*	*	H	α-helix	trans	-71	-27.4	173	0	0	0	0	0	112.8	A627 A629	A627-A631 PolarHBondContact O-N 3.04Å; A629-A631 VanDerWaalsContact C-N 3.31Å; A629-A631 PolarHBondContact O-N 3.44Å
632	A	36.4	Very low	34.8	Very low	74 Å²	74	85.7 Å²	85.7	61%	0.612	65%	0.65	S	S	*	*	H	α-helix	trans	-80	-25.8	176.5	0	0	0	0	0	113.2	A628 A629 A630 A634	A628-A632 PolarHBondContact O-N 2.95Å; A629-A632 PolarHBondContact O-N 3.14Å; A629-A632 VanDerWaalsContact O-N 3.15Å; A630-A632 VanDerWaalsContact C-N 3.33Å; A632-A634 VanDerWaalsContact C-N 3.33Å; A632-A634 PolarHBondContact O-N 3.21Å
633	A	35.9	Very low	33.6	Very low	86 Å²	86	91.5 Å²	91.5	71%	0.711	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-10.3	-179.5	0	0	0	0	0	114.3	A629 G635	A629-A633 PolarHBondContact O-N 3.36Å; A629-A633 VanDerWaalsContact O-N 3.14Å; A633-G635 VanDerWaalsContact C-N 3.28Å; A633-G635 PolarHBondContact O-N 3.37Å
634	A	32.1	Very low	32.9	Very low	95 Å²	95	96 Å²	96	79%	0.785	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	7.4	176.4	0	0	0	0	0	114.2	A632	A632-A634 VanDerWaalsContact C-N 3.33Å; A632-A634 PolarHBondContact O-N 3.21Å
635	G	27.9	Very low	31.8	Very low	65 Å²	65	99.4 Å²	99.4	67%	0.67	70%	0.698	S	S	*	*	S	Bend	trans	-140.9	63.8	-177.7	0	0	0	0	0	113.7	A633	A633-G635 VanDerWaalsContact C-N 3.28Å; A633-G635 PolarHBondContact O-N 3.37Å
636	A	28.3	Very low	31	Very low	82 Å²	82	99.4 Å²	99.4	68%	0.678	71%	0.705	S	S	*	*			trans	-164.1	63.2	164.1	0	0	0	0	0	112	T638	A636-T638 VanDerWaalsContact C-N 3.33Å; A636-T638 PolarHBondContact O-N 3.2Å
637	T	26.4	Very low	30.2	Very low	153 Å²	153	105 Å²	105	94%	0.939	73%	0.726	S	S	*	*			trans	-78.6	86.2	158	33	0	0	0	0	108.6
638	T	27.2	Very low	29.6	Very low	127 Å²	127	109.6 Å²	109.6	78%	0.779	74%	0.741	S	S	*	*			trans	-111.9	105.9	165.4	45.3	0	0	0	0	107.9	A636 A640	A636-T638 VanDerWaalsContact C-N 3.33Å; A636-T638 PolarHBondContact O-N 3.2Å; T638-A640 PolarHBondContact O-N 3.48Å
639	A	26.9	Very low	29	Very low	104 Å²	104	113.8 Å²	113.8	86%	0.86	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-57.7	123.9	175.4	0	0	0	0	0	109.8
640	A	25.6	Very low	28.7	Very low	87 Å²	87	119 Å²	119	72%	0.719	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-69.5	138	167.6	0	0	0	0	0	109	T638 I642	T638-A640 PolarHBondContact O-N 3.48Å; A640-I642 PolarHBondContact O-N 2.93Å
641	P	25.3	Very low	28.7	Very low	124 Å²	124	118.8 Å²	118.8	81%	0.805	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-73.5	130.2	-173.7	28.8	-31.7	0	0	0	110.8	L643	P641-L643 PolarHBondContact O-N 2.93Å
642	I	24.8	Very low	28.5	Very low	148 Å²	148	130.3 Å²	130.3	76%	0.759	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-66.1	119	171.5	-62.7	168.3	0	0	0	107.6	A640 I644	A640-I642 PolarHBondContact O-N 2.93Å; I642-I644 HydrophobicContact CG2-CG1 3.99Å; I642-I644 PolarHBondContact O-N 3.06Å; I642-I644 VanDerWaalsContact O-N 3.15Å
643	L	21.8	Very low	28.1	Very low	172 Å²	172	133.1 Å²	133.1	90%	0.901	81%	0.813	S	S	*	*			trans	-72.2	100.4	169	-80.6	160.8	0	0	0	107.9	P641	P641-L643 PolarHBondContact O-N 2.93Å
644	I	24.1	Very low	27.6	Very low	156 Å²	156	135.6 Å²	135.6	80%	0.8	82%	0.818	S	S	*	*			trans	-88.3	105.6	169.1	-58.2	175.8	0	0	0	106	I642	I642-I644 HydrophobicContact CG2-CG1 3.99Å; I642-I644 PolarHBondContact O-N 3.06Å; I642-I644 VanDerWaalsContact O-N 3.15Å
645	D	23.2	Very low	27.4	Very low	148 Å²	148	137.8 Å²	137.8	79%	0.791	82%	0.82	S	S	*	*			trans	-105.1	108.5	177.6	-137.3	14.3	0	0	0	107.8
646	G	28.8	Very low	27.4	Very low	65 Å²	65	142.1 Å²	142.1	67%	0.67	83%	0.829	S	S	*	*			trans	167.5	45.2	-177.1	0	0	0	0	0	115.6	L648	G646-L648 PolarHBondContact O-N 3.44Å; G646-L648 VanDerWaalsContact O-N 3.13Å
647	D	25.1	Very low	27.3	Very low	174 Å²	174	145.9 Å²	145.9	93%	0.93	84%	0.838	S	S	*	*			trans	-73	95.1	163.8	-86.9	-28.8	0	0	0	109.1
648	L	28.7	Very low	27.4	Very low	165 Å²	165	145.4 Å²	145.4	86%	0.864	83%	0.831	S	S	*	*			trans	-87.6	97.3	156.6	-91.3	160.3	0	0	0	107.4	G646 L650	G646-L648 PolarHBondContact O-N 3.44Å; G646-L648 VanDerWaalsContact O-N 3.13Å; L648-L650 PolarHBondContact O-N 3.39Å
649	D	28.5	Very low	27.4	Very low	157 Å²	157	146.7 Å²	146.7	84%	0.84	84%	0.835	S	S	*	*			trans	-58.8	93.2	175.1	-156.1	2.2	0	0	0	109.7	G651	D649-G651 PolarHBondContact O-N 3.49Å
650	L	33.8	Very low	27.4	Very low	172 Å²	172	150 Å²	150	90%	0.901	83%	0.833	S	S	*	*			trans	-75	78.8	168.9	-74.3	171.9	0	0	0	108.3	L648 R652	L648-L650 PolarHBondContact O-N 3.39Å; L650-R652 PolarHBondContact O-N 3.45Å
651	G	35.8	Very low	27.6	Very low	63 Å²	63	155.3 Å²	155.3	65%	0.649	84%	0.843	S	S	*	*			trans	-64.9	101.4	171.3	0	0	0	0	0	111.9	D649	D649-G651 PolarHBondContact O-N 3.49Å
652	R	30.9	Very low	27.8	Very low	319 Å²	319	158.1 Å²	158.1	100%	1.204	85%	0.846	S	S	*	*			trans	72.9	0	159.9	-68.4	-171.7	176.9	-165.9	-0.3	119.9	L650	L650-R652 PolarHBondContact O-N 3.45Å

Retrieved 652 of 652 residues in 387.3 ms (Link to these results)

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