A0A060W143_ONCMY Loading...

Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B

AlphaFold DB , UniProt , Accession A0A060W143, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 447 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	32.5	Very low	44	Very low	249 Å²	249	105.5 Å²	105.5	100%	1.227	70%	0.698	S	S	*	*				0	105.6	0	-72.9	-176.1	-168.6	0	0	107.2
2	A	27.1	Very low	47.9	Very low	102 Å²	102	97.2 Å²	97.2	84%	0.843	64%	0.641	S	S	*	*			trans	-80.3	117.7	179.6	0	0	0	0	0	108.8
3	G	26.7	Very low	51.1	Low	76 Å²	76	90.2 Å²	90.2	78%	0.784	60%	0.595	S	S	*	*			trans	-72.5	125.6	170	0	0	0	0	0	109.5	A5	G3-A5 PolarHBondContact O-N 2.88Å; G3-A5 VanDerWaalsContact O-N 3.14Å
4	V	29.8	Very low	53.9	Low	141 Å²	141	84.5 Å²	84.5	86%	0.855	56%	0.556	S	S	*	*			trans	-65.8	106	174.4	176.8	0	0	0	0	108.2	G6	V4-G6 VanDerWaalsContact C-N 3.3Å; V4-G6 PolarHBondContact O-N 3.08Å; V4-G6 VanDerWaalsContact O-N 3.07Å
5	A	30.9	Very low	56.2	Low	103 Å²	103	80.1 Å²	80.1	85%	0.851	53%	0.528	S	S	*	.			trans	-74.3	86.8	164.2	0	0	0	0	0	108.2	G3 G7	G3-A5 PolarHBondContact O-N 2.88Å; G3-A5 VanDerWaalsContact O-N 3.14Å; A5-G7 PolarHBondContact O-N 2.73Å
6	G	29	Very low	58.4	Low	59 Å²	59	75.7 Å²	75.7	61%	0.608	50%	0.497	S	S	*	.			trans	-74.1	100.5	166.8	0	0	0	0	0	108.9	V4 N8	V4-G6 VanDerWaalsContact C-N 3.3Å; V4-G6 PolarHBondContact O-N 3.08Å; V4-G6 VanDerWaalsContact O-N 3.07Å; G6-N8 PolarHBondContact O-N 3.06Å; G6-N8 VanDerWaalsContact O-N 3.12Å
7	G	36	Very low	60.4	Low	61 Å²	61	73.1 Å²	73.1	63%	0.629	48%	0.48	S	S	*	.			trans	-67.5	104.1	166.2	0	0	0	0	0	108.7	A5 D9	A5-G7 PolarHBondContact O-N 2.73Å; G7-D9 PolarHBondContact O-N 2.91Å
8	N	49.3	Very low	62	Low	139 Å²	139	71.9 Å²	71.9	74%	0.743	47%	0.465	S	S	*	.			trans	-75.7	79.5	170.1	-86.9	-3.3	0	0	0	108.8	G6 F10	G6-N8 PolarHBondContact O-N 3.06Å; G6-N8 VanDerWaalsContact O-N 3.12Å; N8-F10 PolarHBondContact O-N 3.42Å
9	D	64.1	Low	63.3	Low	103 Å²	103	70.4 Å²	70.4	55%	0.551	46%	0.464	S	S	*	.			trans	-68.8	111	163.2	-76.7	-13.7	0	0	0	106.8	G7 Q11 K375	G7-D9 PolarHBondContact O-N 2.91Å; D9-Q11 PolarHBondContact O-N 2.75Å; D9-K375 VanDerWaalsContact CG-NZ 3.33Å; D9-K375 IonicContact OD1-NZ 3.28Å; D9-K375 PolarHBondContact OD1-NZ 3.38Å; D9-K375 IonicContact OD2-NZ 3.71Å; D9-K375 PolarHBondContact OD2-NZ 3.11Å
10	F	73.9	Confident	63.9	Low	54 Å²	54	69.1 Å²	69.1	24%	0.237	46%	0.459	C	S	.	.			trans	-54.9	124.8	-179.7	-61.9	-79.9	0	0	0	110.8	N8 W12 A356	N8-F10 PolarHBondContact O-N 3.42Å; F10-W12 HydrophobicContact CB-CZ2 4.28Å; F10-W12 VanDerWaalsContact CB-NE1 3.29Å; F10-W12 HydrophobicContact CD1-CZ2 4.23Å; F10-W12 HydrophobicContact CG-CZ2 4.3Å; F10-A356 HydrophobicContact CE2-CB 4.06Å; F10-A356 HydrophobicContact CZ-CB 4.21Å
11	Q	85	Confident	64.1	Low	74 Å²	74	72.1 Å²	72.1	35%	0.346	47%	0.47	S	S	.	.			trans	-105.5	81.1	179.4	-171.1	170.3	-5.6	0	0	110.1	D9 C13 T391 D444 K445	D9-Q11 PolarHBondContact O-N 2.75Å; Q11-C13 PolarHBondContact O-N 3.04Å; Q11-T391 HydrophobicContact CG-CG2 3.45Å; Q11-T391 VanDerWaalsContact CG-CG2 3.45Å; Q11-T391 PolarHBondContact NE2-OG1 3.48Å; Q11-D444 PolarHBondContact N-OD1 3.08Å; Q11-K445 HydrophobicContact CB-CB 4.02Å; Q11-K445 HydrophobicContact CG-CB 4.11Å; Q11-K445 HydrophobicContact CG-CD 4.14Å; Q11-K445 WeakPolarHBondContact O-CB 3.3Å; Q11-K445 PolarHBondContact O-N 3.12Å
12	W	90.3	Very high	65.8	Low	5 Å²	5	66 Å²	66	2%	0.019	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	128.6	-178.3	-63.8	99.6	0	0	0	112.6	F10 M368 L379 T391 L392 W424 N429 I431 F442	F10-W12 HydrophobicContact CB-CZ2 4.28Å; F10-W12 VanDerWaalsContact CB-NE1 3.29Å; F10-W12 HydrophobicContact CD1-CZ2 4.23Å; F10-W12 HydrophobicContact CG-CZ2 4.3Å; W12-M368 HydrophobicContact CD2-SD 4.35Å; W12-M368 VanDerWaalsContact CE2-CE 3.49Å; W12-M368 HydrophobicContact CG-SD 4.45Å; W12-M368 HydrophobicContact CH2-CE 4.19Å; W12-M368 HydrophobicContact CZ2-CE 3.27Å; W12-M368 HydrophobicContact CZ2-SD 4.05Å; W12-M368 PolarHBondContact NE1-SD 2.79Å; W12-L379 HydrophobicContact CB-CD1 4.02Å; W12-L379 HydrophobicContact CG-CD1 3.92Å; W12-T391 WeakPolarHBondContact O-CA 3.15Å; W12-L392 HydrophobicContact CB-CD1 3.96Å; W12-L392 HydrophobicContact CB-CG 4.47Å; W12-L392 PolarHBondContact O-N 2.96Å; W12-W424 HydrophobicContact CH2-CH2 4.49Å; W12-W424 AromaticContact CH2-CZ2 3.8Å; W12-W424 HydrophobicContact CH2-CZ2 3.8Å; W12-W424 HydrophobicContact CZ2-CH2 4.04Å; W12-W424 AromaticContact CZ2-CZ2 3.72Å; W12-W424 HydrophobicContact CZ2-CZ2 3.72Å; W12-N429 HydrophobicContact CH2-CB 3.96Å; W12-N429 HydrophobicContact CZ3-CB 4.37Å; W12-N429 WeakPolarHBondContact CZ3-O 3.28Å; W12-I431 HydrophobicContact CD2-CD1 4.21Å; W12-I431 HydrophobicContact CE3-CD1 3.95Å; W12-I431 HydrophobicContact CE3-CG1 3.98Å; W12-I431 HydrophobicContact CH2-CD1 4.43Å; W12-I431 HydrophobicContact CH2-CG1 4.33Å; W12-I431 HydrophobicContact CH2-CG2 3.7Å; W12-I431 HydrophobicContact CZ2-CG2 4.44Å; W12-I431 HydrophobicContact CZ3-CB 4.36Å; W12-I431 HydrophobicContact CZ3-CD1 4.06Å; W12-I431 HydrophobicContact CZ3-CG1 3.75Å; W12-I431 HydrophobicContact CZ3-CG2 3.92Å; W12-F442 HydrophobicContact CE3-CB 4.12Å
13	C	89.6	Confident	67.7	Low	7 Å²	7	70.3 Å²	70.3	5%	0.047	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	142.2	176.2	-63.2	0	0	0	0	110.5	Q11 S15 A390 F442 Q443	Q11-C13 PolarHBondContact O-N 3.04Å; C13-S15 PolarHBondContact O-N 2.89Å; C13-A390 VanDerWaalsContact CA-O 3.3Å; C13-A390 WeakPolarHBondContact CA-O 3.39Å; C13-F442 VanDerWaalsContact O-CA 3.31Å; C13-F442 WeakPolarHBondContact O-CA 3.37Å; C13-Q443 PolarHBondContact N-O 3.18Å; C13-Q443 PolarHBondContact O-N 3.29Å
14	F	90.6	Very high	70	Confident	10 Å²	10	74.3 Å²	74.3	4%	0.044	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	124.9	169.2	176.5	-97.9	0	0	0	110.6	Q16 V17 S386 R389 A390 Y440 F442	F14-Q16 WeakPolarHBondContact CE2-O 3.36Å; F14-V17 HydrophobicContact CE2-CB 3.97Å; F14-V17 HydrophobicContact CE2-CG1 4.46Å; F14-V17 HydrophobicContact CZ-CB 3.87Å; F14-V17 HydrophobicContact CZ-CG1 3.91Å; F14-S386 WeakPolarHBondContact CD2-OG 3.37Å; F14-S386 WeakPolarHBondContact CE1-O 3.49Å; F14-S386 WeakPolarHBondContact CE2-OG 3.14Å; F14-R389 VanDerWaalsContact O-CA 3.3Å; F14-R389 WeakPolarHBondContact O-CA 3.33Å; F14-R389 PolarHBondContact O-N 3.38Å; F14-A390 PolarHBondContact N-O 3.15Å; F14-Y440 HydrophobicContact CD2-CD1 4.37Å; F14-Y440 AromaticContact CE2-CD1 3.94Å; F14-Y440 HydrophobicContact CE2-CD1 3.94Å; F14-Y440 HydrophobicContact CE2-CE1 4.42Å; F14-F442 HydrophobicContact CB-CD1 4.36Å; F14-F442 HydrophobicContact CB-CE1 4.37Å; F14-F442 HydrophobicContact CD2-CD1 4.34Å; F14-F442 AromaticContact CD2-CE1 3.87Å; F14-F442 HydrophobicContact CD2-CE1 3.87Å
15	S	88.7	Confident	72.5	Confident	19 Å²	19	69.6 Å²	69.6	13%	0.133	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-65.3	174.7	-167.2	0	0	0	0	110.4	C13 I441 Q443	C13-S15 PolarHBondContact O-N 2.89Å; S15-I441 WeakPolarHBondContact CA-O 3.42Å; S15-I441 VanDerWaalsContact CB-O 3.22Å; S15-I441 WeakPolarHBondContact CB-O 3.44Å; S15-I441 PolarHBondContact N-O 2.96Å; S15-Q443 PolarHBondContact OG-NE2 3.29Å
16	Q	90.7	Very high	75.4	Confident	9 Å²	9	67.2 Å²	67.2	4%	0.042	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	156.3	-172	-60.2	177.3	-68.2	0	0	111.4	F14 E70 Y71 I441	F14-Q16 WeakPolarHBondContact CE2-O 3.36Å; Q16-E70 HydrophobicContact CG-CG 4.2Å; Q16-E70 VanDerWaalsContact NE2-CG 3.34Å; Q16-E70 PolarHBondContact NE2-OE2 2.87Å; Q16-Y71 PolarHBondContact NE2-O 3.16Å; Q16-I441 HydrophobicContact CB-CB 4.27Å; Q16-I441 HydrophobicContact CB-CD1 4.45Å; Q16-I441 PolarHBondContact N-O 2.74Å; Q16-I441 PolarHBondContact O-N 3.17Å
17	V	91.9	Very high	78.3	Confident	32 Å²	32	70.6 Å²	70.6	19%	0.194	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.7	164	64	0	0	0	0	108	F14 R383 N438 L439 Y440	F14-V17 HydrophobicContact CE2-CB 3.97Å; F14-V17 HydrophobicContact CE2-CG1 4.46Å; F14-V17 HydrophobicContact CZ-CB 3.87Å; F14-V17 HydrophobicContact CZ-CG1 3.91Å; V17-R383 HydrophobicContact CG1-CG 4.44Å; V17-N438 HydrophobicContact CG2-CB 4.03Å; V17-L439 CarbonylContact C-O 3.43Å; V17-L439 WeakPolarHBondContact CA-O 2.92Å; V17-Y440 HydrophobicContact CB-CD1 4.3Å; V17-Y440 HydrophobicContact CB-CE1 4.31Å; V17-Y440 HydrophobicContact CG2-CD1 4.09Å; V17-Y440 HydrophobicContact CG2-CD2 4.46Å; V17-Y440 HydrophobicContact CG2-CE1 3.86Å; V17-Y440 HydrophobicContact CG2-CE2 4.25Å; V17-Y440 HydrophobicContact CG2-CG 4.38Å
18	K	90.6	Very high	81	Confident	52 Å²	52	69.8 Å²	69.8	23%	0.226	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.9	173.2	-49.3	-68.7	175.6	174	0	107.4	F55 Y71 N438 L439	K18-F55 HydrophobicContact CB-CE1 4.34Å; K18-F55 HydrophobicContact CB-CZ 4.39Å; K18-F55 HydrophobicContact CD-CE1 4.33Å; K18-F55 HydrophobicContact CG-CE1 3.95Å; K18-F55 HydrophobicContact CG-CZ 4.35Å; K18-Y71 WeakPolarHBondContact CE-O 2.94Å; K18-Y71 PolarHBondContact NZ-O 3.48Å; K18-N438 CarbonylContact O-C 3.59Å; K18-N438 VanDerWaalsContact O-CA 3.26Å; K18-N438 WeakPolarHBondContact O-CA 3.03Å; K18-L439 HydrophobicContact CB-CB 4.3Å; K18-L439 PolarHBondContact N-O 2.87Å; K18-L439 PolarHBondContact O-N 2.94Å
19	G	85.6	Confident	83.1	Confident	43 Å²	43	65.9 Å²	65.9	44%	0.443	37%	0.367	S	S	.	.	S	Bend	trans	135.4	168.5	-176.1	0	0	0	0	0	112.9	R383	G19-R383 PolarHBondContact O-NH2 3.06Å
20	A	75.6	Confident	84.6	Confident	44 Å²	44	63.1 Å²	63.1	36%	0.364	35%	0.351	S	S	.	.			trans	-67.6	153.9	-178.6	0	0	0	0	0	112	R383 N438	A20-R383 PolarHBondContact O-NH2 2.99Å; A20-N438 PolarHBondContact O-OD1 3.46Å
21	I	69.1	Low	85.7	Confident	133 Å²	133	61.4 Å²	61.4	68%	0.682	34%	0.344	S	S	*	.	S	Bend	trans	-85	-24.4	174.1	-63.5	168.2	0	0	0	110.4	R383	I21-R383 VanDerWaalsContact CG1-NH1 3.32Å
22	D	68.1	Low	86.3	Confident	119 Å²	119	58.1 Å²	58.1	64%	0.636	33%	0.33	S	S	*	.	S	Bend	trans	-73.7	146.5	-171.4	-60.4	-30.4	0	0	0	112.1	D24	D22-D24 VanDerWaalsContact C-N 3.27Å
23	E	65.4	Low	86.7	Confident	194 Å²	194	58 Å²	58	91%	0.907	33%	0.329	S	S	*	.	S	Bend	trans	-71.1	-25.4	177.7	-65	-172	161.9	0	0	112	V25	E23-V25 PolarHBondContact O-N 3.26Å; E23-V25 VanDerWaalsContact O-N 3.07Å
24	D	76.6	Confident	87.1	Confident	159 Å²	159	57.7 Å²	57.7	85%	0.85	33%	0.327	S	S	*	.			trans	-83	82.7	177.7	-67.7	-32.1	0	0	0	110.6	D22	D22-D24 VanDerWaalsContact C-N 3.27Å
25	V	82.5	Confident	87.5	Confident	43 Å²	43	59.4 Å²	59.4	26%	0.261	34%	0.336	S	S	.	.			trans	-82.3	119.8	176.7	-179.3	0	0	0	0	110.2	E23 E27 I30 T436 N437	E23-V25 PolarHBondContact O-N 3.26Å; E23-V25 VanDerWaalsContact O-N 3.07Å; V25-E27 PolarHBondContact O-N 3.06Å; V25-I30 HydrophobicContact CG1-CG1 4.13Å; V25-T436 HydrophobicContact CB-CG2 4.18Å; V25-T436 HydrophobicContact CG1-CG2 3.87Å; V25-T436 HydrophobicContact CG2-CG2 4.19Å; V25-N437 HydrophobicContact CG1-CB 3.47Å; V25-N437 VanDerWaalsContact CG1-CB 3.47Å; V25-N437 WeakPolarHBondContact CG1-ND2 3.22Å; V25-N437 WeakPolarHBondContact CG2-ND2 3.35Å; V25-N437 WeakPolarHBondContact CG2-OD1 3.35Å
26	A	89.8	Confident	87.9	Confident	53 Å²	53	59.3 Å²	59.3	44%	0.438	33%	0.333	S	S	.	.			trans	-62.5	135.2	170.8	0	0	0	0	0	110.2	A28 D29	A26-A28 PolarHBondContact O-N 2.76Å; A26-D29 PolarHBondContact O-N 3.13Å
27	E	90.5	Very high	88.2	Confident	129 Å²	129	59.2 Å²	59.2	60%	0.603	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-57.8	-37	-176.4	-177.1	168.2	-164.9	0	0	112.4	V25 D29 I30 K48	V25-E27 PolarHBondContact O-N 3.06Å; E27-D29 PolarHBondContact O-N 3.38Å; E27-I30 HydrophobicContact CG-CD1 4.24Å; E27-I30 WeakPolarHBondContact O-CB 3.49Å; E27-I30 WeakPolarHBondContact O-CG1 3.43Å; E27-I30 PolarHBondContact O-N 3.45Å; E27-I30 VanDerWaalsContact O-N 3.15Å; E27-K48 HydrophobicContact CG-CD 3.68Å; E27-K48 VanDerWaalsContact O-CB 3.3Å; E27-K48 WeakPolarHBondContact O-CB 3.11Å; E27-K48 WeakPolarHBondContact O-CD 3.47Å; E27-K48 IonicContact OE1-NZ 2.66Å; E27-K48 PolarHBondContact OE1-NZ 2.79Å
28	A	93.2	Very high	88.3	Confident	45 Å²	45	62.8 Å²	62.8	37%	0.372	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-61.3	-25.6	176.5	0	0	0	0	0	113.8	A26 I30 D47 G49	A26-A28 PolarHBondContact O-N 2.76Å; A28-I30 VanDerWaalsContact C-N 3.34Å; A28-D47 WeakPolarHBondContact O-CB 3.47Å; A28-D47 VanDerWaalsContact O-CG 3.29Å; A28-G49 WeakPolarHBondContact O-CA 3.39Å; A28-G49 PolarHBondContact O-N 3.36Å
29	D	93.3	Very high	88.4	Confident	57 Å²	57	61.9 Å²	61.9	31%	0.305	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-87.6	-2.4	-179.8	-62.1	-32	0	0	0	112.9	A26 E27 I31 R51 N437	A26-D29 PolarHBondContact O-N 3.13Å; E27-D29 PolarHBondContact O-N 3.38Å; D29-I31 PolarHBondContact O-N 2.88Å; D29-R51 IonicContact OD1-CZ 3.05Å; D29-R51 IonicContact OD1-NH1 3.11Å; D29-R51 PolarHBondContact OD1-NH1 2.84Å; D29-R51 IonicContact OD1-NH2 3.94Å; D29-R51 PolarHBondContact OD1-NH2 2.99Å; D29-N437 HydrophobicContact CB-CB 4.21Å; D29-N437 WeakPolarHBondContact O-CA 3.38Å; D29-N437 VanDerWaalsContact O-CB 3.24Å; D29-N437 WeakPolarHBondContact O-CB 3.45Å
30	I	95.4	Very high	88.8	Confident	44 Å²	44	59.8 Å²	59.8	23%	0.226	33%	0.326	C	S	.	.	S	Bend	trans	-70.2	123.3	178.4	-61	178.3	0	0	0	109.3	V25 E27 A28 S32 D47 K48 T436	V25-I30 HydrophobicContact CG1-CG1 4.13Å; E27-I30 HydrophobicContact CG-CD1 4.24Å; E27-I30 WeakPolarHBondContact O-CB 3.49Å; E27-I30 WeakPolarHBondContact O-CG1 3.43Å; E27-I30 PolarHBondContact O-N 3.45Å; E27-I30 VanDerWaalsContact O-N 3.15Å; A28-I30 VanDerWaalsContact C-N 3.34Å; I30-S32 PolarHBondContact O-N 2.71Å; I30-D47 CarbonylContact O-C 3.49Å; I30-D47 VanDerWaalsContact O-CA 3.25Å; I30-D47 WeakPolarHBondContact O-CA 3.5Å; I30-D47 WeakPolarHBondContact O-CB 3.33Å; I30-K48 HydrophobicContact CB-CD 4.09Å; I30-K48 HydrophobicContact CB-CG 4.19Å; I30-K48 HydrophobicContact CD1-CD 4.4Å; I30-K48 HydrophobicContact CG2-CD 4.48Å; I30-K48 PolarHBondContact O-N 2.94Å; I30-T436 HydrophobicContact CD1-CG2 4.35Å; I30-T436 HydrophobicContact CG1-CG2 4.01Å
31	I	97.4	Very high	89.7	Confident	18 Å²	18	61.5 Å²	61.5	9%	0.092	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	127.7	178.5	-61.2	170.6	0	0	0	109	D29 V34 T45 G46 A434 T436 L439	D29-I31 PolarHBondContact O-N 2.88Å; I31-V34 HydrophobicContact CG2-CG2 3.72Å; I31-T45 HydrophobicContact CG2-CG2 4.44Å; I31-G46 WeakPolarHBondContact CA-O 3.3Å; I31-A434 HydrophobicContact CB-CB 4Å; I31-A434 HydrophobicContact CD1-CB 4.38Å; I31-A434 HydrophobicContact CG2-CB 3.7Å; I31-T436 PolarHBondContact N-O 2.79Å; I31-L439 HydrophobicContact CD1-CB 3.84Å
32	S	97.6	Very high	91	Very high	6 Å²	6	55.2 Å²	55.2	4%	0.042	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	-7.3	-176	56.7	0	0	0	0	113.8	I30 G46 D47 I96 H421	I30-S32 PolarHBondContact O-N 2.71Å; S32-G46 PolarHBondContact N-O 3.23Å; S32-G46 PolarHBondContact OG-O 2.87Å; S32-D47 VanDerWaalsContact OG-C 3.31Å; S32-D47 PolarHBondContact OG-O 2.98Å; S32-I96 VanDerWaalsContact CB-O 3.3Å; S32-I96 WeakPolarHBondContact CB-O 3.49Å; S32-I96 PolarHBondContact OG-O 3.2Å; S32-H421 VanDerWaalsContact C-CD2 3.49Å; S32-H421 PolarHBondContact O-CE1 3.14Å; S32-H421 PolarHBondContact O-ND1 3.33Å; S32-H421 PolarHBondContact O-NE2 3.2Å; S32-H421 VanDerWaalsContact O-NE2 3.12Å
33	T	98.2	Very high	92.4	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	148.8	172.3	-170.8	0	0	0	0	110.8	T45 G46 I96 I99	T33-T45 VanDerWaalsContact O-CA 3.31Å; T33-T45 WeakPolarHBondContact O-CA 3.45Å; T33-G46 PolarHBondContact N-O 2.92Å; T33-G46 PolarHBondContact O-N 2.79Å; T33-I96 HydrophobicContact CG2-CB 4.49Å; T33-I96 HydrophobicContact CG2-CG2 3.86Å; T33-I99 HydrophobicContact CG2-CB 4.29Å; T33-I99 HydrophobicContact CG2-CD1 3.78Å; T33-I99 HydrophobicContact CG2-CG1 3.74Å
34	V	98.2	Very high	94	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	129.6	179.8	-175.4	0	0	0	0	108.8	I31 L43 A44 T45 H421 A423 A432 A434 L439	I31-V34 HydrophobicContact CG2-CG2 3.72Å; V34-L43 HydrophobicContact CG1-CD1 3.67Å; V34-A44 WeakPolarHBondContact CA-O 3.21Å; V34-T45 HydrophobicContact CG1-CG2 4.3Å; V34-T45 HydrophobicContact CG2-CG2 4.14Å; V34-H421 HydrophobicContact CG2-CB 4.18Å; V34-A423 HydrophobicContact CB-CB 4.4Å; V34-A423 HydrophobicContact CG1-CB 3.9Å; V34-A432 HydrophobicContact CG1-CB 3.85Å; V34-A434 HydrophobicContact CG2-CB 3.79Å; V34-L439 HydrophobicContact CG1-CD1 4.1Å; V34-L439 HydrophobicContact CG2-CD1 4.13Å
35	E	98.2	Very high	95	Very high	46 Å²	46	33.2 Å²	33.2	22%	0.215	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	127.3	-176.5	-172.6	80.4	157.4	0	0	112.3	A44 I99 R100 W101	E35-A44 PolarHBondContact N-O 2.8Å; E35-A44 PolarHBondContact O-N 2.8Å; E35-I99 HydrophobicContact CB-CB 4.45Å; E35-I99 HydrophobicContact CB-CG2 4.43Å; E35-R100 WeakPolarHBondContact OE1-CD 3.27Å; E35-R100 IonicContact OE1-CZ 3.73Å; E35-R100 IonicContact OE1-NE 2.67Å; E35-R100 IonicContact OE1-NH1 3.63Å; E35-R100 PolarHBondContact OE1-NH1 2.88Å; E35-R100 IonicContact OE2-NH1 3.95Å; E35-R100 PolarHBondContact OE2-NH1 3.04Å; E35-W101 PolarHBondContact O-NE1 2.87Å
36	F	97.9	Very high	95.8	Very high	16 Å²	16	31.1 Å²	31.1	7%	0.07	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	147.2	168.1	-75.7	-79.1	0	0	0	111.4	L42 L43 Y71 W101 A423 W424 H425 V430 A432	F36-L42 WeakPolarHBondContact CA-O 3.12Å; F36-L43 HydrophobicContact CD1-CB 3.99Å; F36-L43 HydrophobicContact CD1-CD1 3.9Å; F36-L43 HydrophobicContact CD1-CG 4.46Å; F36-L43 HydrophobicContact CD2-CD1 4.05Å; F36-L43 HydrophobicContact CE1-CB 3.85Å; F36-L43 HydrophobicContact CE1-CD1 3.82Å; F36-L43 HydrophobicContact CE1-CD2 4.13Å; F36-L43 HydrophobicContact CE1-CG 4.15Å; F36-L43 HydrophobicContact CE2-CD1 3.97Å; F36-L43 HydrophobicContact CG-CD1 4.01Å; F36-L43 HydrophobicContact CZ-CD1 3.86Å; F36-L43 HydrophobicContact CZ-CD2 4.11Å; F36-L43 HydrophobicContact CZ-CG 4.42Å; F36-Y71 AromaticContact CE1-CE1 3.94Å; F36-Y71 HydrophobicContact CE1-CE1 3.94Å; F36-Y71 HydrophobicContact CE1-CE2 4.48Å; F36-Y71 AromaticContact CE1-CZ 3.74Å; F36-W101 VanDerWaalsContact C-CD1 3.45Å; F36-A423 HydrophobicContact CD2-CB 3.75Å; F36-A423 HydrophobicContact CE2-CB 3.96Å; F36-W424 WeakPolarHBondContact CD2-O 3.5Å; F36-H425 HydrophobicContact CE2-CB 4.35Å; F36-H425 HydrophobicContact CZ-CB 4.34Å; F36-V430 HydrophobicContact CZ-CG1 4.44Å; F36-A432 HydrophobicContact CE2-CB 3.91Å; F36-A432 HydrophobicContact CZ-CB 4.02Å
37	N	96.6	Very high	96.2	Very high	8 Å²	8	29 Å²	29	4%	0.043	15%	0.152	C	C	.	.			trans	-71.8	169.6	165.8	79	-20.9	0	0	0	111	S39 G40 E41 L42 W101	N37-S39 VanDerWaalsContact C-N 3.26Å; N37-S39 PolarHBondContact ND2-OG 2.8Å; N37-S39 PolarHBondContact O-N 2.96Å; N37-S39 PolarHBondContact OD1-OG 2.84Å; N37-G40 PolarHBondContact O-N 2.79Å; N37-G40 VanDerWaalsContact OD1-CA 3.26Å; N37-G40 WeakPolarHBondContact OD1-CA 3.43Å; N37-G40 PolarHBondContact OD1-N 2.96Å; N37-E41 PolarHBondContact OD1-N 3.1Å; N37-E41 VanDerWaalsContact OD1-N 3.12Å; N37-L42 HydrophobicContact CB-CB 4.06Å; N37-L42 PolarHBondContact N-O 2.87Å; N37-L42 PolarHBondContact OD1-N 3.46Å; N37-L42 PolarHBondContact OD1-O 3.18Å; N37-W101 VanDerWaalsContact CA-CD1 3.45Å; N37-W101 HydrophobicContact CB-CB 4.28Å; N37-W101 HydrophobicContact CB-CD2 3.56Å; N37-W101 HydrophobicContact CB-CE3 4.01Å; N37-W101 HydrophobicContact CB-CG 3.68Å; N37-W101 HydrophobicContact CB-CZ2 4.26Å
38	H	94.3	Very high	96.5	Very high	106 Å²	106	26.1 Å²	26.1	49%	0.491	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.7	-177.3	-60.6	89.8	0	0	0	114.7	W101 L102	H38-W101 PolarHBondContact CE1-O 3Å; H38-W101 VanDerWaalsContact CE1-O 3.29Å; H38-L102 VanDerWaalsContact CE1-C 3.48Å; H38-L102 PolarHBondContact ND1-O 2.95Å
39	S	93.3	Very high	96.7	Very high	33 Å²	33	24.3 Å²	24.3	23%	0.231	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-27.6	174.7	64.1	0	0	0	0	112.3	N37 E41	N37-S39 VanDerWaalsContact C-N 3.26Å; N37-S39 PolarHBondContact ND2-OG 2.8Å; N37-S39 PolarHBondContact O-N 2.96Å; N37-S39 PolarHBondContact OD1-OG 2.84Å; S39-E41 VanDerWaalsContact C-N 3.28Å; S39-E41 WeakPolarHBondContact CB-OE2 3.44Å; S39-E41 WeakPolarHBondContact OG-CB 3.4Å; S39-E41 WeakPolarHBondContact OG-CG 3.41Å; S39-E41 PolarHBondContact OG-N 2.94Å; S39-E41 PolarHBondContact OG-OE2 3.13Å
40	G	94	Very high	96.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	84	-3.1	-170.7	0	0	0	0	0	114.1	N37 L42 Y71 H425	N37-G40 PolarHBondContact O-N 2.79Å; N37-G40 VanDerWaalsContact OD1-CA 3.26Å; N37-G40 WeakPolarHBondContact OD1-CA 3.43Å; N37-G40 PolarHBondContact OD1-N 2.96Å; G40-L42 VanDerWaalsContact C-N 3.28Å; G40-L42 PolarHBondContact O-N 3.07Å; G40-Y71 PolarHBondContact O-OH 3.25Å; G40-H425 WeakPolarHBondContact CA-NE2 3.3Å; G40-H425 PolarHBondContact O-CD2 2.89Å; G40-H425 PolarHBondContact O-NE2 2.89Å
41	E	94.3	Very high	97	Very high	79 Å²	79	23.3 Å²	23.3	37%	0.369	11%	0.112	S	C	.	.	S	Bend	trans	-70.1	-25.5	177.5	-63.8	166.4	142.4	0	0	112.6	N37 S39 Q56 H57	N37-E41 PolarHBondContact OD1-N 3.1Å; N37-E41 VanDerWaalsContact OD1-N 3.12Å; S39-E41 VanDerWaalsContact C-N 3.28Å; S39-E41 WeakPolarHBondContact CB-OE2 3.44Å; S39-E41 WeakPolarHBondContact OG-CB 3.4Å; S39-E41 WeakPolarHBondContact OG-CG 3.41Å; S39-E41 PolarHBondContact OG-N 2.94Å; S39-E41 PolarHBondContact OG-OE2 3.13Å; E41-Q56 CarbonylContact O-C 3.5Å; E41-Q56 WeakPolarHBondContact O-CA 3.01Å; E41-H57 PolarHBondContact O-N 3.39Å
42	L	96.8	Very high	97.1	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.4	177.2	-56.5	177.9	0	0	0	110.4	F36 N37 G40 I54 F55 Q56 Y74 W101 H109	F36-L42 WeakPolarHBondContact CA-O 3.12Å; N37-L42 HydrophobicContact CB-CB 4.06Å; N37-L42 PolarHBondContact N-O 2.87Å; N37-L42 PolarHBondContact OD1-N 3.46Å; N37-L42 PolarHBondContact OD1-O 3.18Å; G40-L42 VanDerWaalsContact C-N 3.28Å; G40-L42 PolarHBondContact O-N 3.07Å; L42-I54 HydrophobicContact CB-CG2 4.19Å; L42-I54 HydrophobicContact CD1-CG2 4.47Å; L42-I54 HydrophobicContact CD2-CG2 4.18Å; L42-F55 CarbonylContact C-O 3.59Å; L42-F55 VanDerWaalsContact CA-O 3.27Å; L42-F55 WeakPolarHBondContact CA-O 2.95Å; L42-Q56 HydrophobicContact CD2-CB 3.67Å; L42-Q56 HydrophobicContact CD2-CG 3.8Å; L42-Y74 HydrophobicContact CD2-CD1 4.15Å; L42-Y74 HydrophobicContact CD2-CE1 4.42Å; L42-W101 HydrophobicContact CB-CH2 3.91Å; L42-W101 HydrophobicContact CB-CZ2 3.88Å; L42-W101 HydrophobicContact CD1-CH2 3.67Å; L42-W101 HydrophobicContact CD1-CZ2 4.48Å; L42-W101 HydrophobicContact CD1-CZ3 3.95Å; L42-W101 HydrophobicContact CG-CH2 4.45Å; L42-H109 HydrophobicContact CD1-CB 4.23Å
43	L	97.9	Very high	97.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.7	173.4	174.8	59.7	0	0	0	108.2	V34 F36 I54 F55 Y71 A432 L439 I441	V34-L43 HydrophobicContact CG1-CD1 3.67Å; F36-L43 HydrophobicContact CD1-CB 3.99Å; F36-L43 HydrophobicContact CD1-CD1 3.9Å; F36-L43 HydrophobicContact CD1-CG 4.46Å; F36-L43 HydrophobicContact CD2-CD1 4.05Å; F36-L43 HydrophobicContact CE1-CB 3.85Å; F36-L43 HydrophobicContact CE1-CD1 3.82Å; F36-L43 HydrophobicContact CE1-CD2 4.13Å; F36-L43 HydrophobicContact CE1-CG 4.15Å; F36-L43 HydrophobicContact CE2-CD1 3.97Å; F36-L43 HydrophobicContact CG-CD1 4.01Å; F36-L43 HydrophobicContact CZ-CD1 3.86Å; F36-L43 HydrophobicContact CZ-CD2 4.11Å; F36-L43 HydrophobicContact CZ-CG 4.42Å; L43-I54 CarbonylContact O-C 3.56Å; L43-I54 WeakPolarHBondContact O-CA 3.05Å; L43-F55 HydrophobicContact CB-CB 4.37Å; L43-F55 HydrophobicContact CG-CD2 4.48Å; L43-F55 PolarHBondContact N-O 2.92Å; L43-F55 WeakPolarHBondContact O-CD2 3.35Å; L43-F55 PolarHBondContact O-N 2.73Å; L43-Y71 HydrophobicContact CB-CD1 3.9Å; L43-Y71 HydrophobicContact CB-CE1 4Å; L43-A432 HydrophobicContact CD1-CB 4.05Å; L43-A432 HydrophobicContact CD2-CB 3.83Å; L43-L439 HydrophobicContact CD2-CD2 3.95Å; L43-I441 HydrophobicContact CD2-CD1 4.21Å
44	A	98.3	Very high	97.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	143.1	175.6	0	0	0	0	0	111	V34 E35 V53 I54 I99 W101	V34-A44 WeakPolarHBondContact CA-O 3.21Å; E35-A44 PolarHBondContact N-O 2.8Å; E35-A44 PolarHBondContact O-N 2.8Å; A44-V53 CarbonylContact C-O 3.57Å; A44-V53 WeakPolarHBondContact CA-O 3.46Å; A44-I54 HydrophobicContact CB-CG1 4.36Å; A44-I99 HydrophobicContact CB-CD1 4.16Å; A44-I99 HydrophobicContact CB-CG2 4.12Å; A44-W101 HydrophobicContact CB-CZ2 3.68Å
45	T	98.4	Very high	97	Very high	9 Å²	9	23.8 Å²	23.8	6%	0.055	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.8	166.8	59.7	0	0	0	0	110.1	I31 T33 V34 V52 V53 F55 L439	I31-T45 HydrophobicContact CG2-CG2 4.44Å; T33-T45 VanDerWaalsContact O-CA 3.31Å; T33-T45 WeakPolarHBondContact O-CA 3.45Å; V34-T45 HydrophobicContact CG1-CG2 4.3Å; V34-T45 HydrophobicContact CG2-CG2 4.14Å; T45-V52 WeakPolarHBondContact O-CA 3.38Å; T45-V53 PolarHBondContact N-O 3.29Å; T45-V53 PolarHBondContact O-N 2.89Å; T45-F55 HydrophobicContact CG2-CE2 4.09Å; T45-L439 HydrophobicContact CG2-CD1 4Å; T45-L439 HydrophobicContact CG2-CD2 3.72Å; T45-L439 HydrophobicContact CG2-CG 4.4Å
46	G	98.3	Very high	96.9	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	150.5	166.3	0	0	0	0	0	110.1	I31 S32 T33 R51	I31-G46 WeakPolarHBondContact CA-O 3.3Å; S32-G46 PolarHBondContact N-O 3.23Å; S32-G46 PolarHBondContact OG-O 2.87Å; T33-G46 PolarHBondContact N-O 2.92Å; T33-G46 PolarHBondContact O-N 2.79Å; G46-R51 WeakPolarHBondContact CA-O 3.31Å
47	D	97.4	Very high	96.6	Very high	9 Å²	9	26.1 Å²	26.1	5%	0.048	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	172.8	177.2	63.2	27.5	0	0	0	113.4	A28 I30 S32 G49 G50 R51 I96	A28-D47 WeakPolarHBondContact O-CB 3.47Å; A28-D47 VanDerWaalsContact O-CG 3.29Å; I30-D47 CarbonylContact O-C 3.49Å; I30-D47 VanDerWaalsContact O-CA 3.25Å; I30-D47 WeakPolarHBondContact O-CA 3.5Å; I30-D47 WeakPolarHBondContact O-CB 3.33Å; S32-D47 VanDerWaalsContact OG-C 3.31Å; S32-D47 PolarHBondContact OG-O 2.98Å; D47-G49 PolarHBondContact O-N 2.91Å; D47-G49 WeakPolarHBondContact OD1-CA 3.49Å; D47-G49 PolarHBondContact OD1-N 3.07Å; D47-G49 VanDerWaalsContact OD1-N 3.11Å; D47-G50 PolarHBondContact O-N 2.73Å; D47-G50 PolarHBondContact OD1-N 3Å; D47-R51 PolarHBondContact N-O 3.33Å; D47-R51 PolarHBondContact OD1-N 3Å; D47-R51 IonicContact OD1-NE 3.28Å; D47-R51 WeakPolarHBondContact OD2-CB 3.22Å; D47-R51 IonicContact OD2-CZ 3.66Å; D47-R51 IonicContact OD2-NE 2.76Å; D47-R51 PolarHBondContact OD2-NE 2.81Å; D47-R51 IonicContact OD2-NH2 2.89Å; D47-R51 PolarHBondContact OD2-NH2 3.08Å; D47-I96 PolarHBondContact O-N 3.09Å
48	K	97.2	Very high	96	Very high	67 Å²	67	30.6 Å²	30.6	29%	0.291	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.4	174.8	-78.4	-165.3	167.6	-172.4	0	113.3	E27 I30 G50 K95	E27-K48 HydrophobicContact CG-CD 3.68Å; E27-K48 VanDerWaalsContact O-CB 3.3Å; E27-K48 WeakPolarHBondContact O-CB 3.11Å; E27-K48 WeakPolarHBondContact O-CD 3.47Å; E27-K48 IonicContact OE1-NZ 2.66Å; E27-K48 PolarHBondContact OE1-NZ 2.79Å; I30-K48 HydrophobicContact CB-CD 4.09Å; I30-K48 HydrophobicContact CB-CG 4.19Å; I30-K48 HydrophobicContact CD1-CD 4.4Å; I30-K48 HydrophobicContact CG2-CD 4.48Å; I30-K48 PolarHBondContact O-N 2.94Å; K48-G50 PolarHBondContact O-N 3.28Å; K48-K95 HydrophobicContact CG-CD 4.12Å; K48-K95 HydrophobicContact CG-CG 4.27Å; K48-K95 VanDerWaalsContact O-CA 3.28Å; K48-K95 WeakPolarHBondContact O-CA 3.46Å; K48-K95 PolarHBondContact O-N 2.94Å
49	G	97.4	Very high	94.8	Very high	7 Å²	7	32.6 Å²	32.6	7%	0.072	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	13.6	176.7	0	0	0	0	0	114.5	A28 D47 R51 Q78	A28-G49 WeakPolarHBondContact O-CA 3.39Å; A28-G49 PolarHBondContact O-N 3.36Å; D47-G49 PolarHBondContact O-N 2.91Å; D47-G49 WeakPolarHBondContact OD1-CA 3.49Å; D47-G49 PolarHBondContact OD1-N 3.07Å; D47-G49 VanDerWaalsContact OD1-N 3.11Å; G49-R51 VanDerWaalsContact C-N 3.29Å; G49-R51 PolarHBondContact O-N 3.49Å; G49-Q78 PolarHBondContact O-NE2 3.22Å
50	G	97.7	Very high	93.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	74.2	11	173.4	0	0	0	0	0	115.8	D47 K48 Q78 S79 H80 E94	D47-G50 PolarHBondContact O-N 2.73Å; D47-G50 PolarHBondContact OD1-N 3Å; K48-G50 PolarHBondContact O-N 3.28Å; G50-Q78 VanDerWaalsContact C-NE2 3.26Å; G50-Q78 PolarHBondContact O-NE2 2.83Å; G50-S79 WeakPolarHBondContact O-CA 3.34Å; G50-S79 WeakPolarHBondContact O-CB 3.33Å; G50-S79 PolarHBondContact O-N 3.12Å; G50-H80 PolarHBondContact O-N 2.77Å; G50-H80 VanDerWaalsContact O-N 3.07Å; G50-E94 WeakPolarHBondContact CA-O 3.36Å
51	R	98	Very high	90.8	Very high	80 Å²	80	40.3 Å²	40.3	30%	0.302	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	149.1	178.2	-54.3	170.8	-55.4	-168.5	6.2	110.3	D29 G46 D47 G49 F77 Q78	D29-R51 IonicContact OD1-CZ 3.05Å; D29-R51 IonicContact OD1-NH1 3.11Å; D29-R51 PolarHBondContact OD1-NH1 2.84Å; D29-R51 IonicContact OD1-NH2 3.94Å; D29-R51 PolarHBondContact OD1-NH2 2.99Å; G46-R51 WeakPolarHBondContact CA-O 3.31Å; D47-R51 PolarHBondContact N-O 3.33Å; D47-R51 PolarHBondContact OD1-N 3Å; D47-R51 IonicContact OD1-NE 3.28Å; D47-R51 WeakPolarHBondContact OD2-CB 3.22Å; D47-R51 IonicContact OD2-CZ 3.66Å; D47-R51 IonicContact OD2-NE 2.76Å; D47-R51 PolarHBondContact OD2-NE 2.81Å; D47-R51 IonicContact OD2-NH2 2.89Å; D47-R51 PolarHBondContact OD2-NH2 3.08Å; G49-R51 VanDerWaalsContact C-N 3.29Å; G49-R51 PolarHBondContact O-N 3.49Å; R51-F77 WeakPolarHBondContact CA-O 3.45Å; R51-Q78 VanDerWaalsContact CG-OE1 3.25Å
52	V	98.5	Very high	88.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.5	169.9	174.7	0	0	0	0	108.4	T45 I54 T76 F77 I96 I99	T45-V52 WeakPolarHBondContact O-CA 3.38Å; V52-I54 HydrophobicContact CG1-CG1 4.2Å; V52-T76 WeakPolarHBondContact O-CA 3.38Å; V52-F77 HydrophobicContact CB-CD2 4.35Å; V52-F77 HydrophobicContact CB-CE1 4.02Å; V52-F77 HydrophobicContact CB-CE2 3.76Å; V52-F77 HydrophobicContact CB-CZ 3.59Å; V52-F77 HydrophobicContact CG1-CE1 3.88Å; V52-F77 HydrophobicContact CG1-CE2 4.27Å; V52-F77 HydrophobicContact CG1-CZ 3.59Å; V52-F77 HydrophobicContact CG2-CE2 4.18Å; V52-F77 HydrophobicContact CG2-CZ 4.29Å; V52-F77 PolarHBondContact N-O 2.67Å; V52-F77 PolarHBondContact O-N 2.9Å; V52-F77 VanDerWaalsContact O-N 3.08Å; V52-I96 HydrophobicContact CG2-CG1 4.41Å; V52-I99 HydrophobicContact CG1-CD1 4.03Å; V52-I99 HydrophobicContact CG2-CD1 4.02Å
53	V	98.1	Very high	86.6	Confident	26 Å²	26	53.7 Å²	53.7	16%	0.158	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.5	174.8	-173	0	0	0	0	108.1	A44 T45 F55 V73 T76	A44-V53 CarbonylContact C-O 3.57Å; A44-V53 WeakPolarHBondContact CA-O 3.46Å; T45-V53 PolarHBondContact N-O 3.29Å; T45-V53 PolarHBondContact O-N 2.89Å; V53-F55 HydrophobicContact CB-CE2 4.18Å; V53-F55 HydrophobicContact CB-CZ 4.3Å; V53-F55 HydrophobicContact CG1-CD2 4.41Å; V53-F55 HydrophobicContact CG1-CE1 4.03Å; V53-F55 HydrophobicContact CG1-CE2 3.75Å; V53-F55 HydrophobicContact CG1-CZ 3.53Å; V53-V73 HydrophobicContact CG1-CG1 4.34Å; V53-T76 HydrophobicContact CG2-CG2 4.11Å
54	I	98.1	Very high	84.4	Confident	0 Å²	0	62 Å²	62	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.6	176.4	-57.6	171.5	0	0	0	107.6	L42 L43 A44 V52 Y74 S75 F77 W101 L111 I124	L42-I54 HydrophobicContact CB-CG2 4.19Å; L42-I54 HydrophobicContact CD1-CG2 4.47Å; L42-I54 HydrophobicContact CD2-CG2 4.18Å; L43-I54 CarbonylContact O-C 3.56Å; L43-I54 WeakPolarHBondContact O-CA 3.05Å; A44-I54 HydrophobicContact CB-CG1 4.36Å; V52-I54 HydrophobicContact CG1-CG1 4.2Å; I54-Y74 HydrophobicContact CB-CD1 4.45Å; I54-Y74 HydrophobicContact CG2-CD1 3.9Å; I54-Y74 WeakPolarHBondContact O-CA 3.29Å; I54-Y74 WeakPolarHBondContact O-CB 3.33Å; I54-Y74 PolarHBondContact O-N 2.88Å; I54-S75 PolarHBondContact N-O 3.31Å; I54-S75 PolarHBondContact O-N 3.21Å; I54-S75 VanDerWaalsContact O-N 3.16Å; I54-F77 HydrophobicContact CD1-CE1 3.87Å; I54-F77 HydrophobicContact CG1-CE1 4.42Å; I54-W101 HydrophobicContact CD1-CH2 3.95Å; I54-W101 HydrophobicContact CG1-CH2 4.31Å; I54-W101 HydrophobicContact CG2-CH2 3.99Å; I54-W101 HydrophobicContact CG2-CZ2 4.26Å; I54-L111 HydrophobicContact CD1-CD2 3.86Å; I54-L111 HydrophobicContact CG1-CD2 4.43Å; I54-I124 HydrophobicContact CD1-CD1 3.99Å; I54-I124 HydrophobicContact CD1-CG1 3.64Å; I54-I124 HydrophobicContact CD1-CG2 4.42Å
55	F	97.1	Very high	82	Confident	11 Å²	11	66.4 Å²	66.4	5%	0.048	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.2	172.2	-52.5	-91.8	0	0	0	109.6	K18 L42 L43 T45 V53 Y71 N72 V73 L439	K18-F55 HydrophobicContact CB-CE1 4.34Å; K18-F55 HydrophobicContact CB-CZ 4.39Å; K18-F55 HydrophobicContact CD-CE1 4.33Å; K18-F55 HydrophobicContact CG-CE1 3.95Å; K18-F55 HydrophobicContact CG-CZ 4.35Å; L42-F55 CarbonylContact C-O 3.59Å; L42-F55 VanDerWaalsContact CA-O 3.27Å; L42-F55 WeakPolarHBondContact CA-O 2.95Å; L43-F55 HydrophobicContact CB-CB 4.37Å; L43-F55 HydrophobicContact CG-CD2 4.48Å; L43-F55 PolarHBondContact N-O 2.92Å; L43-F55 WeakPolarHBondContact O-CD2 3.35Å; L43-F55 PolarHBondContact O-N 2.73Å; T45-F55 HydrophobicContact CG2-CE2 4.09Å; V53-F55 HydrophobicContact CB-CE2 4.18Å; V53-F55 HydrophobicContact CB-CZ 4.3Å; V53-F55 HydrophobicContact CG1-CD2 4.41Å; V53-F55 HydrophobicContact CG1-CE1 4.03Å; V53-F55 HydrophobicContact CG1-CE2 3.75Å; V53-F55 HydrophobicContact CG1-CZ 3.53Å; F55-Y71 HydrophobicContact CB-CD1 4.22Å; F55-N72 CarbonylContact C-O 3.57Å; F55-N72 WeakPolarHBondContact CA-O 3.49Å; F55-V73 HydrophobicContact CD1-CG2 3.97Å; F55-V73 HydrophobicContact CE1-CG2 3.66Å; F55-L439 HydrophobicContact CD2-CD2 4.1Å; F55-L439 HydrophobicContact CE2-CD2 3.67Å; F55-L439 HydrophobicContact CZ-CD2 4.14Å
56	Q	95.1	Very high	79.6	Confident	73 Å²	73	72.2 Å²	72.2	34%	0.341	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.6	173.6	-177.2	177.5	48.1	0	0	109.6	E41 L42 E58 Y71 N72 Y74	E41-Q56 CarbonylContact O-C 3.5Å; E41-Q56 WeakPolarHBondContact O-CA 3.01Å; L42-Q56 HydrophobicContact CD2-CB 3.67Å; L42-Q56 HydrophobicContact CD2-CG 3.8Å; Q56-E58 PolarHBondContact O-N 3.23Å; Q56-Y71 WeakPolarHBondContact O-CA 3.28Å; Q56-N72 PolarHBondContact N-O 3.46Å; Q56-N72 PolarHBondContact O-N 3.1Å; Q56-Y74 HydrophobicContact CB-CD2 3.87Å; Q56-Y74 HydrophobicContact CB-CG 3.84Å; Q56-Y74 HydrophobicContact CG-CD2 4.39Å
57	H	91.8	Very high	77.4	Confident	38 Å²	38	75.1 Å²	75.1	18%	0.176	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	120.7	172.5	-176.8	-106.4	0	0	0	109.6	E41 Q59 G69 Y71	E41-H57 PolarHBondContact O-N 3.39Å; H57-Q59 PolarHBondContact O-N 2.9Å; H57-G69 PolarHBondContact CD2-O 2.92Å; H57-G69 VanDerWaalsContact CD2-O 3.31Å; H57-G69 WeakPolarHBondContact NE2-CA 2.9Å; H57-G69 PolarHBondContact NE2-N 3.39Å; H57-G69 VanDerWaalsContact NE2-N 3.15Å; H57-G69 PolarHBondContact NE2-O 3.37Å; H57-Y71 HydrophobicContact CB-CD1 4.09Å; H57-Y71 HydrophobicContact CB-CE1 3.66Å; H57-Y71 HydrophobicContact CB-CE2 4.25Å; H57-Y71 AromaticContact CD2-CE2 3.57Å; H57-Y71 AromaticContact CD2-CZ 3.85Å
58	E	85.2	Confident	75.9	Confident	102 Å²	102	77.9 Å²	77.9	48%	0.477	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-66.9	120.5	175.8	-168.6	171.5	-171.8	0	0	110	Q56 G69 E70 N72	Q56-E58 PolarHBondContact O-N 3.23Å; E58-G69 VanDerWaalsContact O-CA 3.23Å; E58-G69 WeakPolarHBondContact O-CA 3.31Å; E58-E70 WeakPolarHBondContact CB-O 3.15Å; E58-E70 PolarHBondContact N-O 3.02Å; E58-N72 PolarHBondContact OE2-ND2 3.2Å
59	Q	68.6	Low	74.8	Confident	148 Å²	148	75.1 Å²	75.1	69%	0.692	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-66.4	139.4	177.9	-68.7	-172.5	-2.9	0	0	110.6	H57 C61	H57-Q59 PolarHBondContact O-N 2.9Å; Q59-C61 PolarHBondContact O-N 3.25Å
60	E	56.2	Low	74.4	Confident	109 Å²	109	79 Å²	79	51%	0.509	38%	0.384	S	S	.	.			trans	-52.4	115.1	-178.7	-72.2	-171.7	164.8	0	0	111.4	K62	E60-K62 PolarHBondContact O-N 3.37Å
61	C	47.1	Very low	74.2	Confident	86 Å²	86	79.2 Å²	79.2	58%	0.581	38%	0.384	S	S	*	.			trans	-63.1	128.7	166.6	-88.3	0	0	0	0	108.8	Q59 N63 R64	Q59-C61 PolarHBondContact O-N 3.25Å; C61-N63 PolarHBondContact O-N 3.07Å; C61-R64 PolarHBondContact O-N 3.24Å
62	K	51.5	Low	74	Confident	211 Å²	211	78.4 Å²	78.4	92%	0.917	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-16.6	176.4	-68.8	-177.7	178.4	178.2	0	114.9	E60	E60-K62 PolarHBondContact O-N 3.37Å
63	N	51	Low	73.9	Confident	152 Å²	152	82.8 Å²	82.8	81%	0.813	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-8.6	178.5	-69.1	-14.3	0	0	0	114.7	C61	C61-N63 PolarHBondContact O-N 3.07Å
64	R	51.7	Low	73.7	Confident	174 Å²	174	82.8 Å²	82.8	66%	0.657	41%	0.41	S	S	*	.			trans	-143.9	72.7	-179.7	-66.6	-169.1	-178.2	178.1	-0.1	113.1	C61 N66 L67	C61-R64 PolarHBondContact O-N 3.24Å; R64-N66 PolarHBondContact O-N 3.12Å; R64-L67 HydrophobicContact CB-CD1 3.92Å; R64-L67 HydrophobicContact CG-CD1 4.29Å; R64-L67 PolarHBondContact O-N 3.04Å
65	P	46.9	Very low	73.6	Confident	93 Å²	93	83.4 Å²	83.4	60%	0.604	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	0.4	-176.5	28.2	-35.6	0	0	0	115.8
66	N	48.5	Very low	73.6	Confident	131 Å²	131	86.8 Å²	86.8	70%	0.701	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	13.9	-178.5	-63.7	-16	0	0	0	112.7	R64	R64-N66 PolarHBondContact O-N 3.12Å
67	L	52.7	Low	73.7	Confident	61 Å²	61	84.3 Å²	84.3	32%	0.319	42%	0.424	S	S	.	.			trans	-120.6	101.9	178.8	-90.7	134	0	0	0	108.5	R64 G69	R64-L67 HydrophobicContact CB-CD1 3.92Å; R64-L67 HydrophobicContact CG-CD1 4.29Å; R64-L67 PolarHBondContact O-N 3.04Å; L67-G69 PolarHBondContact O-N 3.06Å
68	R	65.9	Low	74	Confident	66 Å²	66	86.1 Å²	86.1	25%	0.249	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-53.2	135.5	158.1	-91	172.6	-179.5	-99.5	-11.7	108.3	E428 Q443 I446	R68-E428 IonicContact CZ-OE2 2.75Å; R68-E428 IonicContact NH1-OE2 3.76Å; R68-E428 PolarHBondContact NH1-OE2 2.94Å; R68-E428 IonicContact NH2-OE2 2.68Å; R68-Q443 VanDerWaalsContact CB-OE1 3.28Å; R68-I446 HydrophobicContact CB-CD1 4.43Å; R68-I446 HydrophobicContact CG-CD1 3.84Å
69	G	73.6	Confident	74.6	Confident	10 Å²	10	81.4 Å²	81.4	10%	0.103	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-58.1	150.7	-175.3	0	0	0	0	0	112.6	H57 E58 L67	H57-G69 PolarHBondContact CD2-O 2.92Å; H57-G69 VanDerWaalsContact CD2-O 3.31Å; H57-G69 WeakPolarHBondContact NE2-CA 2.9Å; H57-G69 PolarHBondContact NE2-N 3.39Å; H57-G69 VanDerWaalsContact NE2-N 3.15Å; H57-G69 PolarHBondContact NE2-O 3.37Å; E58-G69 VanDerWaalsContact O-CA 3.23Å; E58-G69 WeakPolarHBondContact O-CA 3.31Å; L67-G69 PolarHBondContact O-N 3.06Å
70	E	88.9	Confident	76	Confident	88 Å²	88	74.3 Å²	74.3	41%	0.411	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-89.2	144.3	173.3	-82.6	-164.1	-150.2	0	0	109.7	Q16 E58 N72	Q16-E70 HydrophobicContact CG-CG 4.2Å; Q16-E70 VanDerWaalsContact NE2-CG 3.34Å; Q16-E70 PolarHBondContact NE2-OE2 2.87Å; E58-E70 WeakPolarHBondContact CB-O 3.15Å; E58-E70 PolarHBondContact N-O 3.02Å; E70-N72 PolarHBondContact O-N 2.75Å
71	Y	93.8	Very high	77.9	Confident	4 Å²	4	75.4 Å²	75.4	2%	0.016	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	113.7	171.5	-77.3	-93.8	0	0	0	109.2	Q16 K18 F36 G40 L43 F55 Q56 H57 H425 V430 I441	Q16-Y71 PolarHBondContact NE2-O 3.16Å; K18-Y71 WeakPolarHBondContact CE-O 2.94Å; K18-Y71 PolarHBondContact NZ-O 3.48Å; F36-Y71 AromaticContact CE1-CE1 3.94Å; F36-Y71 HydrophobicContact CE1-CE1 3.94Å; F36-Y71 HydrophobicContact CE1-CE2 4.48Å; F36-Y71 AromaticContact CE1-CZ 3.74Å; G40-Y71 PolarHBondContact O-OH 3.25Å; L43-Y71 HydrophobicContact CB-CD1 3.9Å; L43-Y71 HydrophobicContact CB-CE1 4Å; F55-Y71 HydrophobicContact CB-CD1 4.22Å; Q56-Y71 WeakPolarHBondContact O-CA 3.28Å; H57-Y71 HydrophobicContact CB-CD1 4.09Å; H57-Y71 HydrophobicContact CB-CE1 3.66Å; H57-Y71 HydrophobicContact CB-CE2 4.25Å; H57-Y71 AromaticContact CD2-CE2 3.57Å; H57-Y71 AromaticContact CD2-CZ 3.85Å; Y71-H425 PolarHBondContact OH-CD2 2.81Å; Y71-H425 VanDerWaalsContact OH-CD2 3.27Å; Y71-V430 HydrophobicContact CE2-CG1 4.22Å; Y71-I441 HydrophobicContact CD2-CD1 3.94Å; Y71-I441 HydrophobicContact CD2-CG2 4.47Å; Y71-I441 HydrophobicContact CG-CD1 4.02Å
72	N	94.3	Very high	80.2	Confident	63 Å²	63	74.8 Å²	74.8	34%	0.337	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	150.6	-178.2	-68.5	-41.1	0	0	0	110.9	F55 Q56 E58 E70 Y74	F55-N72 CarbonylContact C-O 3.57Å; F55-N72 WeakPolarHBondContact CA-O 3.49Å; Q56-N72 PolarHBondContact N-O 3.46Å; Q56-N72 PolarHBondContact O-N 3.1Å; E58-N72 PolarHBondContact OE2-ND2 3.2Å; E70-N72 PolarHBondContact O-N 2.75Å; N72-Y74 PolarHBondContact O-N 3.43Å; N72-Y74 VanDerWaalsContact O-N 3.15Å
73	V	95.1	Very high	82.1	Confident	93 Å²	93	68.5 Å²	68.5	56%	0.564	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.9	121.7	-179.4	179.5	0	0	0	0	109	V53 F55	V53-V73 HydrophobicContact CG1-CG1 4.34Å; F55-V73 HydrophobicContact CD1-CG2 3.97Å; F55-V73 HydrophobicContact CE1-CG2 3.66Å
74	Y	94.7	Very high	84	Confident	26 Å²	26	65.8 Å²	65.8	10%	0.102	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-41.3	-177.9	176.2	-110.1	0	0	0	111.4	L42 I54 Q56 N72 I124 E126 V164	L42-Y74 HydrophobicContact CD2-CD1 4.15Å; L42-Y74 HydrophobicContact CD2-CE1 4.42Å; I54-Y74 HydrophobicContact CB-CD1 4.45Å; I54-Y74 HydrophobicContact CG2-CD1 3.9Å; I54-Y74 WeakPolarHBondContact O-CA 3.29Å; I54-Y74 WeakPolarHBondContact O-CB 3.33Å; I54-Y74 PolarHBondContact O-N 2.88Å; Q56-Y74 HydrophobicContact CB-CD2 3.87Å; Q56-Y74 HydrophobicContact CB-CG 3.84Å; Q56-Y74 HydrophobicContact CG-CD2 4.39Å; N72-Y74 PolarHBondContact O-N 3.43Å; N72-Y74 VanDerWaalsContact O-N 3.15Å; Y74-I124 HydrophobicContact CD1-CG2 4.44Å; Y74-I124 HydrophobicContact CE1-CG2 3.73Å; Y74-E126 WeakPolarHBondContact OH-CG 3.17Å; Y74-E126 PolarHBondContact OH-OE1 3.4Å; Y74-V164 HydrophobicContact CD1-CG1 4.09Å; Y74-V164 HydrophobicContact CD2-CG2 3.91Å; Y74-V164 HydrophobicContact CE1-CG1 3.57Å; Y74-V164 HydrophobicContact CE1-CG2 4.32Å; Y74-V164 HydrophobicContact CE2-CB 4.44Å; Y74-V164 HydrophobicContact CE2-CG1 4.21Å; Y74-V164 HydrophobicContact CE2-CG2 3.38Å
75	S	95.8	Very high	85.4	Confident	12 Å²	12	59.6 Å²	59.6	8%	0.084	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	143.9	175.5	-167.3	0	0	0	0	110.9	I54	I54-S75 PolarHBondContact N-O 3.31Å; I54-S75 PolarHBondContact O-N 3.21Å; I54-S75 VanDerWaalsContact O-N 3.16Å
76	T	97	Very high	87.3	Confident	82 Å²	82	64.2 Å²	64.2	50%	0.503	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.4	172	-59.3	0	0	0	0	108.3	V52 V53	V52-T76 WeakPolarHBondContact O-CA 3.38Å; V53-T76 HydrophobicContact CG2-CG2 4.11Å
77	F	97.8	Very high	89	Confident	21 Å²	21	66.1 Å²	66.1	9%	0.092	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	152.5	177.5	58.3	-87	0	0	0	111.8	R51 V52 I54 S79 W122 A166	R51-F77 WeakPolarHBondContact CA-O 3.45Å; V52-F77 HydrophobicContact CB-CD2 4.35Å; V52-F77 HydrophobicContact CB-CE1 4.02Å; V52-F77 HydrophobicContact CB-CE2 3.76Å; V52-F77 HydrophobicContact CB-CZ 3.59Å; V52-F77 HydrophobicContact CG1-CE1 3.88Å; V52-F77 HydrophobicContact CG1-CE2 4.27Å; V52-F77 HydrophobicContact CG1-CZ 3.59Å; V52-F77 HydrophobicContact CG2-CE2 4.18Å; V52-F77 HydrophobicContact CG2-CZ 4.29Å; V52-F77 PolarHBondContact N-O 2.67Å; V52-F77 PolarHBondContact O-N 2.9Å; V52-F77 VanDerWaalsContact O-N 3.08Å; I54-F77 HydrophobicContact CD1-CE1 3.87Å; I54-F77 HydrophobicContact CG1-CE1 4.42Å; F77-S79 PolarHBondContact O-N 2.76Å; F77-W122 AromaticContact CD2-CD2 3.9Å; F77-W122 HydrophobicContact CD2-CD2 3.9Å; F77-W122 AromaticContact CD2-CE3 3.62Å; F77-W122 HydrophobicContact CD2-CE3 3.62Å; F77-W122 AromaticContact CD2-CH2 3.88Å; F77-W122 HydrophobicContact CD2-CH2 3.88Å; F77-W122 HydrophobicContact CD2-CZ2 4.17Å; F77-W122 AromaticContact CD2-CZ3 3.57Å; F77-W122 HydrophobicContact CD2-CZ3 3.57Å; F77-W122 HydrophobicContact CE2-CB 4.41Å; F77-W122 AromaticContact CE2-CD2 3.32Å; F77-W122 HydrophobicContact CE2-CD2 3.32Å; F77-W122 AromaticContact CE2-CE2 3.65Å; F77-W122 AromaticContact CE2-CE3 3.49Å; F77-W122 HydrophobicContact CE2-CE3 3.49Å; F77-W122 VanDerWaalsContact CE2-CE3 3.49Å; F77-W122 AromaticContact CE2-CG 3.71Å; F77-W122 HydrophobicContact CE2-CG 3.71Å; F77-W122 HydrophobicContact CE2-CH2 4.26Å; F77-W122 HydrophobicContact CE2-CZ2 4.16Å; F77-W122 AromaticContact CE2-CZ3 3.93Å; F77-W122 HydrophobicContact CE2-CZ3 3.93Å; F77-W122 HydrophobicContact CG-CE3 4.44Å; F77-W122 HydrophobicContact CG-CZ3 4.36Å; F77-W122 HydrophobicContact CZ-CB 4.3Å; F77-W122 HydrophobicContact CZ-CD2 4.06Å; F77-W122 HydrophobicContact CZ-CE3 4.22Å; F77-W122 HydrophobicContact CZ-CG 4.05Å; F77-A166 HydrophobicContact CB-CB 3.97Å; F77-A166 HydrophobicContact CD1-CB 3.25Å; F77-A166 HydrophobicContact CD2-CB 4.31Å; F77-A166 HydrophobicContact CE1-CB 3.72Å; F77-A166 HydrophobicContact CG-CB 3.58Å; F77-A166 HydrophobicContact CZ-CB 4.41Å
78	Q	98.1	Very high	90.4	Very high	77 Å²	77	69.8 Å²	69.8	36%	0.36	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	113.5	170.9	-166.8	67.3	42.8	0	0	108.5	G49 G50 R51 H80 E81 W122	G49-Q78 PolarHBondContact O-NE2 3.22Å; G50-Q78 VanDerWaalsContact C-NE2 3.26Å; G50-Q78 PolarHBondContact O-NE2 2.83Å; R51-Q78 VanDerWaalsContact CG-OE1 3.25Å; Q78-H80 PolarHBondContact NE2-O 2.88Å; Q78-E81 HydrophobicContact CG-CG 3.94Å; Q78-W122 WeakPolarHBondContact O-CH2 3.35Å
79	S	98.1	Very high	91.5	Very high	2 Å²	2	71.2 Å²	71.2	1%	0.014	36%	0.362	C	S	.	.			trans	-85.5	-49.5	179.6	174.8	0	0	0	0	111.2	G50 F77 S113 K120 W122	G50-S79 WeakPolarHBondContact O-CA 3.34Å; G50-S79 WeakPolarHBondContact O-CB 3.33Å; G50-S79 PolarHBondContact O-N 3.12Å; F77-S79 PolarHBondContact O-N 2.76Å; S79-S113 PolarHBondContact OG-OG 3.3Å; S79-K120 VanDerWaalsContact O-CD 3.24Å; S79-K120 WeakPolarHBondContact O-CD 3.43Å; S79-K120 WeakPolarHBondContact O-CE 3.43Å; S79-K120 PolarHBondContact O-NZ 3.42Å; S79-W122 VanDerWaalsContact CA-CZ2 3.48Å; S79-W122 WeakPolarHBondContact O-CZ2 3.25Å; S79-W122 PolarHBondContact OG-NE1 3.31Å
80	H	98.1	Very high	92.1	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	37%	0.373	C	S	.	.			trans	-127.6	150	-177.4	-70.1	71.8	0	0	0	109.8	G50 Q78 E94 I96 T118	G50-H80 PolarHBondContact O-N 2.77Å; G50-H80 VanDerWaalsContact O-N 3.07Å; Q78-H80 PolarHBondContact NE2-O 2.88Å; H80-E94 HydrophobicContact CB-CB 4.12Å; H80-E94 WeakPolarHBondContact CB-O 3.34Å; H80-E94 WeakPolarHBondContact O-CB 3.41Å; H80-I96 HydrophobicContact CB-CD1 4.1Å; H80-I96 WeakPolarHBondContact ND1-CD1 3.19Å; H80-T118 PolarHBondContact NE2-O 2.92Å
81	E	96.4	Very high	92.2	Very high	131 Å²	131	75.9 Å²	75.9	61%	0.612	38%	0.383	S	S	*	.			trans	-122.7	155.7	174.1	-69.8	-176.7	162.4	0	0	107.2	Q78 E83	Q78-E81 HydrophobicContact CG-CG 3.94Å; E81-E83 PolarHBondContact O-N 3.46Å
82	P	94.7	Very high	92.1	Very high	73 Å²	73	76.6 Å²	76.6	47%	0.474	39%	0.387	S	S	.	.			trans	-61.1	128.8	179.2	4.9	-6.8	0	0	0	109.7	E94	P82-E94 WeakPolarHBondContact CB-OE2 3.34Å; P82-E94 VanDerWaalsContact CD-CD 3.44Å; P82-E94 VanDerWaalsContact CD-OE2 3.32Å; P82-E94 WeakPolarHBondContact CD-OE2 3.43Å; P82-E94 WeakPolarHBondContact CG-OE2 3.31Å
83	E	92.1	Very high	92.1	Very high	80 Å²	80	78.5 Å²	78.5	37%	0.374	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	152.2	177.6	-72.2	174.5	-164.6	0	0	109.2	E81 I92	E81-E83 PolarHBondContact O-N 3.46Å; E83-I92 HydrophobicContact CB-CB 4.03Å; E83-I92 HydrophobicContact CB-CD1 4.24Å; E83-I92 PolarHBondContact N-O 2.78Å; E83-I92 WeakPolarHBondContact O-CA 3.26Å; E83-I92 WeakPolarHBondContact O-CB 3.47Å; E83-I92 PolarHBondContact O-N 3.19Å
84	F	89.5	Confident	92.2	Very high	94 Å²	94	76.4 Å²	76.4	41%	0.412	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	121	177.8	-167.3	-95	0	0	0	110.7	Y86 E91	F84-Y86 AromaticContact CD1-CD1 3.46Å; F84-Y86 HydrophobicContact CD1-CD1 3.46Å; F84-Y86 VanDerWaalsContact CD1-CD1 3.46Å; F84-Y86 HydrophobicContact CD1-CD2 4.27Å; F84-Y86 AromaticContact CD1-CE1 3.61Å; F84-Y86 HydrophobicContact CD1-CE1 3.61Å; F84-Y86 HydrophobicContact CD1-CE2 4.41Å; F84-Y86 AromaticContact CD1-CG 3.81Å; F84-Y86 HydrophobicContact CD1-CG 3.81Å; F84-Y86 AromaticContact CE1-CD1 3.71Å; F84-Y86 HydrophobicContact CE1-CD1 3.71Å; F84-Y86 HydrophobicContact CE1-CE1 4.13Å; F84-Y86 HydrophobicContact CE1-CG 4.24Å; F84-Y86 PolarHBondContact O-N 3.08Å; F84-E91 HydrophobicContact CD2-CB 4.05Å; F84-E91 HydrophobicContact CE2-CB 4.32Å
85	D	82.6	Confident	92.3	Very high	44 Å²	44	77.9 Å²	77.9	24%	0.235	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	95.8	170.6	-175	-20.6	0	0	0	108.9	L87 K88 S89 L90	D85-L87 PolarHBondContact O-N 3.09Å; D85-L87 WeakPolarHBondContact OD1-CB 3.39Å; D85-L87 PolarHBondContact OD1-N 3.02Å; D85-K88 HydrophobicContact CB-CB 4.38Å; D85-K88 PolarHBondContact O-N 3.25Å; D85-K88 PolarHBondContact OD1-N 3.06Å; D85-K88 VanDerWaalsContact OD1-N 3.13Å; D85-K88 VanDerWaalsContact OD2-CD 3.28Å; D85-K88 WeakPolarHBondContact OD2-CD 3.27Å; D85-K88 WeakPolarHBondContact OD2-CG 3.49Å; D85-K88 IonicContact OD2-NZ 3.45Å; D85-S89 WeakPolarHBondContact O-CA 3.25Å; D85-S89 PolarHBondContact O-N 2.76Å; D85-L90 HydrophobicContact CB-CB 4.4Å; D85-L90 PolarHBondContact N-O 2.87Å; D85-L90 PolarHBondContact O-N 3.08Å; D85-L90 VanDerWaalsContact O-N 3.12Å
86	Y	85.6	Confident	92.5	Very high	190 Å²	190	77.3 Å²	77.3	75%	0.745	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.5	179.4	-64.3	-80	0	0	0	114.1	F84	F84-Y86 AromaticContact CD1-CD1 3.46Å; F84-Y86 HydrophobicContact CD1-CD1 3.46Å; F84-Y86 VanDerWaalsContact CD1-CD1 3.46Å; F84-Y86 HydrophobicContact CD1-CD2 4.27Å; F84-Y86 AromaticContact CD1-CE1 3.61Å; F84-Y86 HydrophobicContact CD1-CE1 3.61Å; F84-Y86 HydrophobicContact CD1-CE2 4.41Å; F84-Y86 AromaticContact CD1-CG 3.81Å; F84-Y86 HydrophobicContact CD1-CG 3.81Å; F84-Y86 AromaticContact CE1-CD1 3.71Å; F84-Y86 HydrophobicContact CE1-CD1 3.71Å; F84-Y86 HydrophobicContact CE1-CE1 4.13Å; F84-Y86 HydrophobicContact CE1-CG 4.24Å; F84-Y86 PolarHBondContact O-N 3.08Å
87	L	84.3	Confident	92.5	Very high	171 Å²	171	74.2 Å²	74.2	90%	0.895	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-32.6	-178.7	-63	175.6	0	0	0	111.2	D85	D85-L87 PolarHBondContact O-N 3.09Å; D85-L87 WeakPolarHBondContact OD1-CB 3.39Å; D85-L87 PolarHBondContact OD1-N 3.02Å
88	K	81.6	Confident	92.5	Very high	139 Å²	139	74.6 Å²	74.6	60%	0.604	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-5.5	177.8	-62.7	-177.3	-169.5	159.6	0	113.5	D85 L90	D85-K88 HydrophobicContact CB-CB 4.38Å; D85-K88 PolarHBondContact O-N 3.25Å; D85-K88 PolarHBondContact OD1-N 3.06Å; D85-K88 VanDerWaalsContact OD1-N 3.13Å; D85-K88 VanDerWaalsContact OD2-CD 3.28Å; D85-K88 WeakPolarHBondContact OD2-CD 3.27Å; D85-K88 WeakPolarHBondContact OD2-CG 3.49Å; D85-K88 IonicContact OD2-NZ 3.45Å; K88-L90 HydrophobicContact CB-CB 4.05Å; K88-L90 PolarHBondContact O-N 2.77Å
89	S	88.8	Confident	92.6	Very high	95 Å²	95	71 Å²	71	66%	0.664	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	43.2	-169.7	-59.2	0	0	0	0	111.5	D85	D85-S89 WeakPolarHBondContact O-CA 3.25Å; D85-S89 PolarHBondContact O-N 2.76Å
90	L	87.4	Confident	92.6	Very high	64 Å²	64	72.2 Å²	72.2	34%	0.335	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.5	-175.4	-178.3	68.2	0	0	0	109.6	D85 K88	D85-L90 HydrophobicContact CB-CB 4.4Å; D85-L90 PolarHBondContact N-O 2.87Å; D85-L90 PolarHBondContact O-N 3.08Å; D85-L90 VanDerWaalsContact O-N 3.12Å; K88-L90 HydrophobicContact CB-CB 4.05Å; K88-L90 PolarHBondContact O-N 2.77Å
91	E	90.7	Very high	92.6	Very high	132 Å²	132	72.6 Å²	72.6	62%	0.617	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	133.4	167.6	-172.9	169.2	-168.5	0	0	109.6	F84	F84-E91 HydrophobicContact CD2-CB 4.05Å; F84-E91 HydrophobicContact CE2-CB 4.32Å
92	I	91.4	Very high	92.6	Very high	19 Å²	19	67.4 Å²	67.4	10%	0.097	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	106.4	175.8	-58.8	171.4	0	0	0	106.1	E83 N115 K117	E83-I92 HydrophobicContact CB-CB 4.03Å; E83-I92 HydrophobicContact CB-CD1 4.24Å; E83-I92 PolarHBondContact N-O 2.78Å; E83-I92 WeakPolarHBondContact O-CA 3.26Å; E83-I92 WeakPolarHBondContact O-CB 3.47Å; E83-I92 PolarHBondContact O-N 3.19Å; I92-N115 WeakPolarHBondContact CG2-ND2 3.44Å; I92-K117 HydrophobicContact CD1-CB 4.27Å; I92-K117 HydrophobicContact CD1-CG 3.91Å; I92-K117 HydrophobicContact CG1-CG 4.02Å; I92-K117 HydrophobicContact CG2-CB 4.12Å; I92-K117 HydrophobicContact CG2-CG 3.94Å
93	E	94.8	Very high	92.5	Very high	104 Å²	104	65.7 Å²	65.7	49%	0.486	32%	0.317	S	S	.	.			trans	-60	144.4	178.5	-63	-179.6	-164.6	0	0	111.6	K95 N115	E93-K95 HydrophobicContact CB-CB 4.28Å; E93-K95 PolarHBondContact O-N 2.87Å; E93-N115 PolarHBondContact O-ND2 2.88Å
94	E	96.9	Very high	92.5	Very high	48 Å²	48	66.7 Å²	66.7	22%	0.224	32%	0.321	C	S	.	.			trans	-75.4	-9	171.9	65.2	-97.6	-140.7	0	0	114.1	G50 H80 P82 I96	G50-E94 WeakPolarHBondContact CA-O 3.36Å; H80-E94 HydrophobicContact CB-CB 4.12Å; H80-E94 WeakPolarHBondContact CB-O 3.34Å; H80-E94 WeakPolarHBondContact O-CB 3.41Å; P82-E94 WeakPolarHBondContact CB-OE2 3.34Å; P82-E94 VanDerWaalsContact CD-CD 3.44Å; P82-E94 VanDerWaalsContact CD-OE2 3.32Å; P82-E94 WeakPolarHBondContact CD-OE2 3.43Å; P82-E94 WeakPolarHBondContact CG-OE2 3.31Å; E94-I96 PolarHBondContact O-N 2.81Å
95	K	97.9	Very high	92.3	Very high	58 Å²	58	69.2 Å²	69.2	25%	0.252	34%	0.335	S	S	.	.			trans	-46.8	126.3	-178.5	170.1	177.2	162.6	-96.1	0	112.5	K48 E93 N97 N115	K48-K95 HydrophobicContact CG-CD 4.12Å; K48-K95 HydrophobicContact CG-CG 4.27Å; K48-K95 VanDerWaalsContact O-CA 3.28Å; K48-K95 WeakPolarHBondContact O-CA 3.46Å; K48-K95 PolarHBondContact O-N 2.94Å; E93-K95 HydrophobicContact CB-CB 4.28Å; E93-K95 PolarHBondContact O-N 2.87Å; K95-N97 PolarHBondContact NZ-OD1 2.76Å; K95-N97 PolarHBondContact O-N 2.86Å; K95-N115 WeakPolarHBondContact O-CA 3.45Å; K95-N115 VanDerWaalsContact O-CB 3.24Å; K95-N115 WeakPolarHBondContact O-CB 3.47Å
96	I	98.4	Very high	92.7	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	34%	0.343	C	S	.	.			trans	-79.1	112.3	176.6	-51.1	-56.2	0	0	0	109.5	S32 T33 D47 V52 H80 E94 I99 T114	S32-I96 VanDerWaalsContact CB-O 3.3Å; S32-I96 WeakPolarHBondContact CB-O 3.49Å; S32-I96 PolarHBondContact OG-O 3.2Å; T33-I96 HydrophobicContact CG2-CB 4.49Å; T33-I96 HydrophobicContact CG2-CG2 3.86Å; D47-I96 PolarHBondContact O-N 3.09Å; V52-I96 HydrophobicContact CG2-CG1 4.41Å; H80-I96 HydrophobicContact CB-CD1 4.1Å; H80-I96 WeakPolarHBondContact ND1-CD1 3.19Å; E94-I96 PolarHBondContact O-N 2.81Å; I96-I99 HydrophobicContact CG2-CD1 4.29Å; I96-I99 HydrophobicContact CG2-CG1 3.89Å; I96-T114 CarbonylContact C-O 3.59Å
97	N	97.9	Very high	92.9	Very high	17 Å²	17	67.1 Å²	67.1	9%	0.091	35%	0.345	C	S	.	.			trans	-78.1	-44.4	-180	-72	-15.4	0	0	0	112.5	K95 T114 D116 I180	K95-N97 PolarHBondContact NZ-OD1 2.76Å; K95-N97 PolarHBondContact O-N 2.86Å; N97-T114 HydrophobicContact CB-CG2 4.29Å; N97-T114 PolarHBondContact N-O 3.38Å; N97-D116 PolarHBondContact ND2-N 2.85Å; N97-D116 PolarHBondContact ND2-OD1 2.84Å; N97-I180 PolarHBondContact ND2-O 2.84Å
98	K	98.4	Very high	93.4	Very high	29 Å²	29	59.1 Å²	59.1	13%	0.126	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	148.1	-178.3	-63.4	-66.3	170.8	-179.5	0	111.2	T114 N181 I183 E347	K98-T114 HydrophobicContact CB-CG2 3.98Å; K98-T114 PolarHBondContact O-N 3.47Å; K98-T114 VanDerWaalsContact O-N 3.14Å; K98-N181 WeakPolarHBondContact CE-O 3.25Å; K98-I183 HydrophobicContact CB-CD1 4.19Å; K98-I183 HydrophobicContact CB-CG1 3.78Å; K98-E347 IonicContact NZ-OE1 3.06Å; K98-E347 PolarHBondContact NZ-OE1 2.68Å
99	I	98.6	Very high	94.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.1	167.1	-66.5	169.5	0	0	0	108.4	T33 E35 A44 V52 I96 L111 L112	T33-I99 HydrophobicContact CG2-CB 4.29Å; T33-I99 HydrophobicContact CG2-CD1 3.78Å; T33-I99 HydrophobicContact CG2-CG1 3.74Å; E35-I99 HydrophobicContact CB-CB 4.45Å; E35-I99 HydrophobicContact CB-CG2 4.43Å; A44-I99 HydrophobicContact CB-CD1 4.16Å; A44-I99 HydrophobicContact CB-CG2 4.12Å; V52-I99 HydrophobicContact CG1-CD1 4.03Å; V52-I99 HydrophobicContact CG2-CD1 4.02Å; I96-I99 HydrophobicContact CG2-CD1 4.29Å; I96-I99 HydrophobicContact CG2-CG1 3.89Å; I99-L111 HydrophobicContact CG2-CB 4.38Å; I99-L111 HydrophobicContact CG2-CD1 4.3Å; I99-L111 HydrophobicContact CG2-CD2 4.48Å; I99-L112 CarbonylContact C-O 3.57Å; I99-L112 VanDerWaalsContact CA-O 3.31Å; I99-L112 WeakPolarHBondContact CA-O 3.27Å
100	R	98.2	Very high	94.5	Very high	29 Å²	29	50.3 Å²	50.3	11%	0.109	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	125.8	170.4	-69.1	-67	177.1	-124.1	-11.1	110.4	E35 L111 L112 I183 V185	E35-R100 WeakPolarHBondContact OE1-CD 3.27Å; E35-R100 IonicContact OE1-CZ 3.73Å; E35-R100 IonicContact OE1-NE 2.67Å; E35-R100 IonicContact OE1-NH1 3.63Å; E35-R100 PolarHBondContact OE1-NH1 2.88Å; E35-R100 IonicContact OE2-NH1 3.95Å; E35-R100 PolarHBondContact OE2-NH1 3.04Å; R100-L111 CarbonylContact O-C 3.6Å; R100-L111 WeakPolarHBondContact O-CA 3.38Å; R100-L112 PolarHBondContact N-O 2.91Å; R100-L112 PolarHBondContact O-N 3.18Å; R100-I183 HydrophobicContact CB-CD1 4.21Å; R100-I183 HydrophobicContact CG-CD1 4.05Å; R100-I183 HydrophobicContact CG-CG1 3.86Å; R100-I183 WeakPolarHBondContact CG-O 3.19Å; R100-I183 PolarHBondContact NE-O 2.98Å; R100-V185 HydrophobicContact CB-CG2 4.28Å
101	W	98	Very high	95	Very high	8 Å²	8	47.2 Å²	47.2	3%	0.03	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	148	174.1	-68.5	93.6	0	0	0	110.8	E35 F36 N37 H38 L42 A44 I54 H109 L111 I124	E35-W101 PolarHBondContact O-NE1 2.87Å; F36-W101 VanDerWaalsContact C-CD1 3.45Å; N37-W101 VanDerWaalsContact CA-CD1 3.45Å; N37-W101 HydrophobicContact CB-CB 4.28Å; N37-W101 HydrophobicContact CB-CD2 3.56Å; N37-W101 HydrophobicContact CB-CE3 4.01Å; N37-W101 HydrophobicContact CB-CG 3.68Å; N37-W101 HydrophobicContact CB-CZ2 4.26Å; H38-W101 PolarHBondContact CE1-O 3Å; H38-W101 VanDerWaalsContact CE1-O 3.29Å; L42-W101 HydrophobicContact CB-CH2 3.91Å; L42-W101 HydrophobicContact CB-CZ2 3.88Å; L42-W101 HydrophobicContact CD1-CH2 3.67Å; L42-W101 HydrophobicContact CD1-CZ2 4.48Å; L42-W101 HydrophobicContact CD1-CZ3 3.95Å; L42-W101 HydrophobicContact CG-CH2 4.45Å; A44-W101 HydrophobicContact CB-CZ2 3.68Å; I54-W101 HydrophobicContact CD1-CH2 3.95Å; I54-W101 HydrophobicContact CG1-CH2 4.31Å; I54-W101 HydrophobicContact CG2-CH2 3.99Å; I54-W101 HydrophobicContact CG2-CZ2 4.26Å; W101-H109 HydrophobicContact CZ3-CB 3.85Å; W101-L111 HydrophobicContact CD2-CB 4.11Å; W101-L111 HydrophobicContact CE3-CB 3.89Å; W101-L111 HydrophobicContact CE3-CD2 4.26Å; W101-L111 HydrophobicContact CH2-CD2 3.85Å; W101-L111 HydrophobicContact CZ2-CD2 4.12Å; W101-L111 HydrophobicContact CZ3-CB 4.29Å; W101-L111 HydrophobicContact CZ3-CD2 3.9Å; W101-I124 HydrophobicContact CZ3-CD1 4.29Å
102	L	97.1	Very high	95.3	Very high	21 Å²	21	41 Å²	41	11%	0.11	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-91.8	151	164.4	-69.5	115.5	0	0	0	110.2	H38 Q104 F110 L112 L121 V185 L205	H38-L102 VanDerWaalsContact CE1-C 3.48Å; H38-L102 PolarHBondContact ND1-O 2.95Å; L102-Q104 PolarHBondContact O-N 3.47Å; L102-F110 HydrophobicContact CB-CB 4.11Å; L102-F110 HydrophobicContact CD1-CB 3.63Å; L102-F110 HydrophobicContact CG-CB 4.48Å; L102-F110 PolarHBondContact N-O 2.98Å; L102-L112 HydrophobicContact CD1-CG 4.19Å; L102-L121 HydrophobicContact CD1-CD1 3.33Å; L102-V185 HydrophobicContact CD2-CG1 4.34Å; L102-V185 HydrophobicContact CG-CG2 4.38Å; L102-L205 HydrophobicContact CD2-CD1 3.39Å; L102-L205 HydrophobicContact CD2-CD2 3.7Å; L102-L205 HydrophobicContact CD2-CG 4.2Å
103	P	93.4	Very high	95.7	Very high	37 Å²	37	40 Å²	40	24%	0.24	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-56.9	135.5	169.4	-27.9	39	0	0	0	110.9	Q105	P103-Q105 PolarHBondContact O-N 2.86Å
104	Q	90.1	Very high	95.9	Very high	101 Å²	101	35.1 Å²	35.1	47%	0.472	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-70	120.5	-175.9	-175.5	173.9	-1.4	0	0	110.9	L102 N106 H109	L102-Q104 PolarHBondContact O-N 3.47Å; Q104-N106 WeakPolarHBondContact CG-O 3.41Å; Q104-N106 PolarHBondContact NE2-O 3.25Å; Q104-H109 PolarHBondContact OE1-CE1 2.74Å; Q104-H109 VanDerWaalsContact OE1-CE1 3.3Å
105	Q	86.3	Confident	95.9	Very high	148 Å²	148	32.8 Å²	32.8	69%	0.692	17%	0.17	S	C	*	.			trans	-102.9	-23.4	178.8	-67.4	-176.5	-18.5	0	0	113.4	P103	P103-Q105 PolarHBondContact O-N 2.86Å
106	N	90.5	Very high	95.8	Very high	76 Å²	76	31.1 Å²	31.1	41%	0.406	16%	0.164	S	C	.	.	S	Bend	trans	-149.2	-167.8	-178.8	56.2	54.5	0	0	0	109.8	Q104 A108	Q104-N106 WeakPolarHBondContact CG-O 3.41Å; Q104-N106 PolarHBondContact NE2-O 3.25Å; N106-A108 PolarHBondContact O-N 2.83Å; N106-A108 WeakPolarHBondContact OD1-CA 3.43Å; N106-A108 VanDerWaalsContact OD1-CB 3.3Å; N106-A108 WeakPolarHBondContact OD1-CB 3.43Å; N106-A108 PolarHBondContact OD1-N 3.33Å; N106-A108 PolarHBondContact OD1-O 3.03Å
107	S	90.4	Very high	95.7	Very high	113 Å²	113	32.5 Å²	32.5	79%	0.79	17%	0.169	S	C	*	.	S	Bend	trans	-64.6	-18.9	179.4	56.8	0	0	0	0	113.9
108	A	93.9	Very high	95.6	Very high	3 Å²	3	32 Å²	32	3%	0.025	17%	0.167	C	C	.	.	S	Bend	trans	-89	148	175.6	0	0	0	0	0	111.4	N106 F110 K123 I124	N106-A108 PolarHBondContact O-N 2.83Å; N106-A108 WeakPolarHBondContact OD1-CA 3.43Å; N106-A108 VanDerWaalsContact OD1-CB 3.3Å; N106-A108 WeakPolarHBondContact OD1-CB 3.43Å; N106-A108 PolarHBondContact OD1-N 3.33Å; N106-A108 PolarHBondContact OD1-O 3.03Å; A108-F110 HydrophobicContact CB-CE2 4.02Å; A108-F110 HydrophobicContact CB-CZ 4.29Å; A108-K123 HydrophobicContact CB-CD 4.14Å; A108-K123 HydrophobicContact CB-CG 3.89Å; A108-I124 CarbonylContact C-O 3.57Å; A108-I124 WeakPolarHBondContact CA-O 3.43Å; A108-I124 WeakPolarHBondContact CB-O 3.24Å
109	H	96.3	Very high	95.6	Very high	21 Å²	21	30.6 Å²	30.6	10%	0.097	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	150.5	172.2	-56.1	-78.1	0	0	0	110.3	L42 W101 Q104 I124	L42-H109 HydrophobicContact CD1-CB 4.23Å; W101-H109 HydrophobicContact CZ3-CB 3.85Å; Q104-H109 PolarHBondContact OE1-CE1 2.74Å; Q104-H109 VanDerWaalsContact OE1-CE1 3.3Å; H109-I124 HydrophobicContact CB-CB 4.39Å; H109-I124 PolarHBondContact N-O 2.85Å; H109-I124 PolarHBondContact O-N 3.38Å
110	F	97.4	Very high	95.6	Very high	28 Å²	28	32 Å²	32	12%	0.123	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	140.2	178.3	-61.2	-98.5	0	0	0	110	L102 A108 L121 W122 K123 R169	L102-F110 HydrophobicContact CB-CB 4.11Å; L102-F110 HydrophobicContact CD1-CB 3.63Å; L102-F110 HydrophobicContact CG-CB 4.48Å; L102-F110 PolarHBondContact N-O 2.98Å; A108-F110 HydrophobicContact CB-CE2 4.02Å; A108-F110 HydrophobicContact CB-CZ 4.29Å; F110-L121 HydrophobicContact CB-CD1 4.24Å; F110-L121 HydrophobicContact CD1-CD1 4.44Å; F110-W122 VanDerWaalsContact CA-O 3.24Å; F110-W122 WeakPolarHBondContact CA-O 3.48Å; F110-K123 HydrophobicContact CD1-CB 3.87Å; F110-K123 HydrophobicContact CD1-CG 4.21Å; F110-K123 HydrophobicContact CE1-CB 3.61Å; F110-K123 HydrophobicContact CE1-CD 3.93Å; F110-K123 HydrophobicContact CE1-CG 3.66Å; F110-K123 HydrophobicContact CZ-CB 4.35Å; F110-K123 HydrophobicContact CZ-CD 3.95Å; F110-K123 HydrophobicContact CZ-CG 3.88Å; F110-R169 HydrophobicContact CE1-CG 4.39Å
111	L	97.9	Very high	95.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150.9	173.9	64.8	84.3	0	0	0	110.4	I54 I99 R100 W101 W122 I124	I54-L111 HydrophobicContact CD1-CD2 3.86Å; I54-L111 HydrophobicContact CG1-CD2 4.43Å; I99-L111 HydrophobicContact CG2-CB 4.38Å; I99-L111 HydrophobicContact CG2-CD1 4.3Å; I99-L111 HydrophobicContact CG2-CD2 4.48Å; R100-L111 CarbonylContact O-C 3.6Å; R100-L111 WeakPolarHBondContact O-CA 3.38Å; W101-L111 HydrophobicContact CD2-CB 4.11Å; W101-L111 HydrophobicContact CE3-CB 3.89Å; W101-L111 HydrophobicContact CE3-CD2 4.26Å; W101-L111 HydrophobicContact CH2-CD2 3.85Å; W101-L111 HydrophobicContact CZ2-CD2 4.12Å; W101-L111 HydrophobicContact CZ3-CB 4.29Å; W101-L111 HydrophobicContact CZ3-CD2 3.9Å; L111-W122 HydrophobicContact CD1-CB 3.96Å; L111-W122 HydrophobicContact CD1-CG 4.23Å; L111-W122 HydrophobicContact CG-CB 4.16Å; L111-W122 PolarHBondContact N-O 2.89Å; L111-W122 PolarHBondContact O-N 3.3Å; L111-I124 HydrophobicContact CD2-CD1 3.74Å; L111-I124 HydrophobicContact CG-CD1 3.9Å
112	L	98.6	Very high	95.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	134.2	165.7	-65.5	172	0	0	0	108.5	I99 R100 L102 I119 K120 L121 F172 I183 V185 Y192 L205	I99-L112 CarbonylContact C-O 3.57Å; I99-L112 VanDerWaalsContact CA-O 3.31Å; I99-L112 WeakPolarHBondContact CA-O 3.27Å; R100-L112 PolarHBondContact N-O 2.91Å; R100-L112 PolarHBondContact O-N 3.18Å; L102-L112 HydrophobicContact CD1-CG 4.19Å; L112-I119 HydrophobicContact CB-CG2 4.27Å; L112-I119 HydrophobicContact CD2-CG2 4.08Å; L112-K120 WeakPolarHBondContact CA-O 3.44Å; L112-L121 HydrophobicContact CD2-CB 3.95Å; L112-L121 HydrophobicContact CD2-CD1 3.91Å; L112-F172 HydrophobicContact CD2-CE2 4.27Å; L112-I183 HydrophobicContact CB-CD1 3.88Å; L112-V185 HydrophobicContact CD1-CG2 3.95Å; L112-Y192 HydrophobicContact CD1-CD1 4.04Å; L112-Y192 HydrophobicContact CD1-CD2 3.8Å; L112-Y192 HydrophobicContact CD1-CE1 4.37Å; L112-Y192 HydrophobicContact CD1-CE2 4.2Å; L112-Y192 HydrophobicContact CD1-CG 3.74Å; L112-L205 HydrophobicContact CD1-CD2 4.41Å; L112-L205 HydrophobicContact CD2-CD2 4.46Å
113	S	98.6	Very high	95.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.4	167	60.1	0	0	0	0	109.3	S79 I119 K120 W122	S79-S113 PolarHBondContact OG-OG 3.3Å; S113-I119 CarbonylContact O-C 3.56Å; S113-I119 WeakPolarHBondContact O-CA 3.37Å; S113-K120 PolarHBondContact N-O 3.48Å; S113-K120 PolarHBondContact O-N 3.43Å; S113-W122 VanDerWaalsContact OG-CD1 3.28Å; S113-W122 PolarHBondContact OG-NE1 2.83Å
114	T	98.5	Very high	95.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	143.6	178.5	-170.4	0	0	0	0	111.2	I96 N97 K98 T118 I119 I180 I183	I96-T114 CarbonylContact C-O 3.59Å; N97-T114 HydrophobicContact CB-CG2 4.29Å; N97-T114 PolarHBondContact N-O 3.38Å; K98-T114 HydrophobicContact CB-CG2 3.98Å; K98-T114 PolarHBondContact O-N 3.47Å; K98-T114 VanDerWaalsContact O-N 3.14Å; T114-T118 WeakPolarHBondContact CA-O 3.32Å; T114-T118 PolarHBondContact OG1-O 2.93Å; T114-I119 WeakPolarHBondContact OG1-CG1 3.44Å; T114-I180 HydrophobicContact CG2-CG2 4.11Å; T114-I183 HydrophobicContact CG2-CD1 3.92Å; T114-I183 HydrophobicContact CG2-CG1 4Å; T114-I183 HydrophobicContact CG2-CG2 3.94Å
115	N	97.6	Very high	95.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.145	C	C	.	.			trans	-102.5	-156.4	157.9	72	-11.8	0	0	0	108.7	I92 E93 K95 K117 T118	I92-N115 WeakPolarHBondContact CG2-ND2 3.44Å; E93-N115 PolarHBondContact O-ND2 2.88Å; K95-N115 WeakPolarHBondContact O-CA 3.45Å; K95-N115 VanDerWaalsContact O-CB 3.24Å; K95-N115 WeakPolarHBondContact O-CB 3.47Å; N115-K117 VanDerWaalsContact C-N 3.28Å; N115-K117 PolarHBondContact O-N 3.14Å; N115-K117 PolarHBondContact OD1-N 3Å; N115-T118 PolarHBondContact N-O 3.13Å; N115-T118 PolarHBondContact OD1-N 3.28Å; N115-T118 PolarHBondContact OD1-O 3.24Å
116	D	96.1	Very high	96.2	Very high	23 Å²	23	24.9 Å²	24.9	12%	0.123	13%	0.134	C	C	.	.	S	Bend	trans	-66.8	-21.7	-177.4	-78.8	-2.1	0	0	0	115.4	N97 H179 I180	N97-D116 PolarHBondContact ND2-N 2.85Å; N97-D116 PolarHBondContact ND2-OD1 2.84Å; D116-H179 HydrophobicContact CB-CB 4.48Å; D116-H179 VanDerWaalsContact CG-ND1 3.26Å; D116-H179 IonicContact OD1-ND1 2.67Å; D116-H179 IonicContact OD2-CE1 3.19Å; D116-H179 PolarHBondContact OD2-CE1 3.08Å; D116-H179 IonicContact OD2-CG 2.95Å; D116-H179 IonicContact OD2-ND1 2.62Å; D116-H179 PolarHBondContact OD2-ND1 2.98Å; D116-I180 WeakPolarHBondContact O-CG1 3.34Å; D116-I180 PolarHBondContact O-N 2.69Å
117	K	95.3	Very high	96.2	Very high	28 Å²	28	25.9 Å²	25.9	12%	0.122	13%	0.132	C	C	.	.	S	Bend	trans	-132	-24.1	-170.9	-62	-62.4	175.5	-161.4	0	115	I92 N115 T177 Y178	I92-K117 HydrophobicContact CD1-CB 4.27Å; I92-K117 HydrophobicContact CD1-CG 3.91Å; I92-K117 HydrophobicContact CG1-CG 4.02Å; I92-K117 HydrophobicContact CG2-CB 4.12Å; I92-K117 HydrophobicContact CG2-CG 3.94Å; N115-K117 VanDerWaalsContact C-N 3.28Å; N115-K117 PolarHBondContact O-N 3.14Å; N115-K117 PolarHBondContact OD1-N 3Å; K117-T177 PolarHBondContact NZ-O 2.98Å; K117-Y178 PolarHBondContact NZ-O 2.95Å
118	T	95.9	Very high	96.2	Very high	6 Å²	6	24.5 Å²	24.5	4%	0.037	12%	0.116	C	C	.	.			trans	-132.9	128.1	-167.5	-60	0	0	0	0	111.2	H80 T114 N115 K120 V171 A173	H80-T118 PolarHBondContact NE2-O 2.92Å; T114-T118 WeakPolarHBondContact CA-O 3.32Å; T114-T118 PolarHBondContact OG1-O 2.93Å; N115-T118 PolarHBondContact N-O 3.13Å; N115-T118 PolarHBondContact OD1-N 3.28Å; N115-T118 PolarHBondContact OD1-O 3.24Å; T118-K120 HydrophobicContact CG2-CG 4.27Å; T118-V171 HydrophobicContact CG2-CG1 3.44Å; T118-V171 VanDerWaalsContact CG2-CG1 3.44Å; T118-A173 HydrophobicContact CG2-CB 4.12Å
119	I	98.4	Very high	96	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136.7	171	-49.4	99.3	0	0	0	109	L112 S113 T114 F172 I180 I183 Y192 W203	L112-I119 HydrophobicContact CB-CG2 4.27Å; L112-I119 HydrophobicContact CD2-CG2 4.08Å; S113-I119 CarbonylContact O-C 3.56Å; S113-I119 WeakPolarHBondContact O-CA 3.37Å; T114-I119 WeakPolarHBondContact OG1-CG1 3.44Å; I119-F172 HydrophobicContact CB-CB 4.22Å; I119-F172 HydrophobicContact CB-CD2 4.3Å; I119-F172 HydrophobicContact CD1-CB 4.4Å; I119-F172 HydrophobicContact CG2-CD2 4.38Å; I119-F172 PolarHBondContact N-O 3.02Å; I119-F172 PolarHBondContact O-N 2.95Å; I119-I180 HydrophobicContact CD1-CD1 3.79Å; I119-I180 HydrophobicContact CG1-CD1 4.22Å; I119-I183 HydrophobicContact CG1-CG2 4.01Å; I119-I183 HydrophobicContact CG2-CG2 4.48Å; I119-Y192 HydrophobicContact CG2-CE2 4.23Å; I119-W203 HydrophobicContact CD1-CZ2 4.32Å
120	K	98.5	Very high	95.7	Very high	31 Å²	31	34.6 Å²	34.6	14%	0.135	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.2	175.5	-63.7	-176.5	-174.3	177.1	0	110.5	S79 L112 S113 T118 W122 R170 V171	S79-K120 VanDerWaalsContact O-CD 3.24Å; S79-K120 WeakPolarHBondContact O-CD 3.43Å; S79-K120 WeakPolarHBondContact O-CE 3.43Å; S79-K120 PolarHBondContact O-NZ 3.42Å; L112-K120 WeakPolarHBondContact CA-O 3.44Å; S113-K120 PolarHBondContact N-O 3.48Å; S113-K120 PolarHBondContact O-N 3.43Å; T118-K120 HydrophobicContact CG2-CG 4.27Å; K120-W122 HydrophobicContact CD-CZ2 4.07Å; K120-R170 WeakPolarHBondContact CA-O 3.21Å; K120-V171 HydrophobicContact CG-CG1 4.27Å; K120-V171 HydrophobicContact CG-CG2 4.21Å
121	L	98.4	Very high	95.3	Very high	14 Å²	14	35 Å²	35	7%	0.073	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	119.9	169.6	175.6	64.5	0	0	0	108.9	L102 F110 L112 R169 R170 F172	L102-L121 HydrophobicContact CD1-CD1 3.33Å; F110-L121 HydrophobicContact CB-CD1 4.24Å; F110-L121 HydrophobicContact CD1-CD1 4.44Å; L112-L121 HydrophobicContact CD2-CB 3.95Å; L112-L121 HydrophobicContact CD2-CD1 3.91Å; L121-R169 HydrophobicContact CB-CB 4.47Å; L121-R169 HydrophobicContact CD2-CB 4.14Å; L121-R169 HydrophobicContact CG-CB 4.1Å; L121-R169 WeakPolarHBondContact O-CB 3.35Å; L121-R169 PolarHBondContact O-N 2.94Å; L121-R170 HydrophobicContact CB-CB 4.05Å; L121-R170 HydrophobicContact CD2-CB 4.43Å; L121-R170 HydrophobicContact CD2-CG 4.34Å; L121-R170 PolarHBondContact N-O 2.8Å; L121-R170 PolarHBondContact O-N 3.4Å; L121-F172 HydrophobicContact CB-CE2 4.04Å
122	W	98.3	Very high	94.8	Very high	14 Å²	14	37.6 Å²	37.6	5%	0.053	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	140.1	178.4	-68.6	90	0	0	0	110.8	F77 Q78 S79 F110 L111 S113 K120 I124 A166 S167 P168	F77-W122 AromaticContact CD2-CD2 3.9Å; F77-W122 HydrophobicContact CD2-CD2 3.9Å; F77-W122 AromaticContact CD2-CE3 3.62Å; F77-W122 HydrophobicContact CD2-CE3 3.62Å; F77-W122 AromaticContact CD2-CH2 3.88Å; F77-W122 HydrophobicContact CD2-CH2 3.88Å; F77-W122 HydrophobicContact CD2-CZ2 4.17Å; F77-W122 AromaticContact CD2-CZ3 3.57Å; F77-W122 HydrophobicContact CD2-CZ3 3.57Å; F77-W122 HydrophobicContact CE2-CB 4.41Å; F77-W122 AromaticContact CE2-CD2 3.32Å; F77-W122 HydrophobicContact CE2-CD2 3.32Å; F77-W122 AromaticContact CE2-CE2 3.65Å; F77-W122 AromaticContact CE2-CE3 3.49Å; F77-W122 HydrophobicContact CE2-CE3 3.49Å; F77-W122 VanDerWaalsContact CE2-CE3 3.49Å; F77-W122 AromaticContact CE2-CG 3.71Å; F77-W122 HydrophobicContact CE2-CG 3.71Å; F77-W122 HydrophobicContact CE2-CH2 4.26Å; F77-W122 HydrophobicContact CE2-CZ2 4.16Å; F77-W122 AromaticContact CE2-CZ3 3.93Å; F77-W122 HydrophobicContact CE2-CZ3 3.93Å; F77-W122 HydrophobicContact CG-CE3 4.44Å; F77-W122 HydrophobicContact CG-CZ3 4.36Å; F77-W122 HydrophobicContact CZ-CB 4.3Å; F77-W122 HydrophobicContact CZ-CD2 4.06Å; F77-W122 HydrophobicContact CZ-CE3 4.22Å; F77-W122 HydrophobicContact CZ-CG 4.05Å; Q78-W122 WeakPolarHBondContact O-CH2 3.35Å; S79-W122 VanDerWaalsContact CA-CZ2 3.48Å; S79-W122 WeakPolarHBondContact O-CZ2 3.25Å; S79-W122 PolarHBondContact OG-NE1 3.31Å; F110-W122 VanDerWaalsContact CA-O 3.24Å; F110-W122 WeakPolarHBondContact CA-O 3.48Å; L111-W122 HydrophobicContact CD1-CB 3.96Å; L111-W122 HydrophobicContact CD1-CG 4.23Å; L111-W122 HydrophobicContact CG-CB 4.16Å; L111-W122 PolarHBondContact N-O 2.89Å; L111-W122 PolarHBondContact O-N 3.3Å; S113-W122 VanDerWaalsContact OG-CD1 3.28Å; S113-W122 PolarHBondContact OG-NE1 2.83Å; K120-W122 HydrophobicContact CD-CZ2 4.07Å; W122-I124 HydrophobicContact CB-CD1 4.45Å; W122-A166 HydrophobicContact CE3-CB 4.48Å; W122-S167 VanDerWaalsContact CE3-C 3.47Å; W122-P168 HydrophobicContact CD2-CB 4.39Å; W122-P168 HydrophobicContact CE3-CB 4.15Å; W122-P168 HydrophobicContact CH2-CB 3.8Å; W122-P168 HydrophobicContact CH2-CG 4Å; W122-P168 HydrophobicContact CZ2-CB 4Å; W122-P168 HydrophobicContact CZ3-CB 3.89Å; W122-P168 VanDerWaalsContact CZ3-CD 3.43Å; W122-P168 HydrophobicContact CZ3-CG 4.02Å
123	K	97.2	Very high	94.2	Very high	54 Å²	54	39.5 Å²	39.5	24%	0.235	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.1	166.1	177.6	-177.9	176	-167.2	0	109.1	A108 F110 A166 S167 R169	A108-K123 HydrophobicContact CB-CD 4.14Å; A108-K123 HydrophobicContact CB-CG 3.89Å; F110-K123 HydrophobicContact CD1-CB 3.87Å; F110-K123 HydrophobicContact CD1-CG 4.21Å; F110-K123 HydrophobicContact CE1-CB 3.61Å; F110-K123 HydrophobicContact CE1-CD 3.93Å; F110-K123 HydrophobicContact CE1-CG 3.66Å; F110-K123 HydrophobicContact CZ-CB 4.35Å; F110-K123 HydrophobicContact CZ-CD 3.95Å; F110-K123 HydrophobicContact CZ-CG 3.88Å; K123-A166 CarbonylContact O-C 3.54Å; K123-A166 WeakPolarHBondContact O-CA 3.31Å; K123-S167 PolarHBondContact N-O 3.22Å; K123-S167 PolarHBondContact O-N 3.18Å; K123-S167 PolarHBondContact O-OG 3.16Å; K123-R169 HydrophobicContact CB-CG 3.59Å
124	I	96.6	Very high	93.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	111.9	173.8	-51.8	93.1	0	0	0	107.2	I54 Y74 W101 A108 H109 L111 W122 V164 E165	I54-I124 HydrophobicContact CD1-CD1 3.99Å; I54-I124 HydrophobicContact CD1-CG1 3.64Å; I54-I124 HydrophobicContact CD1-CG2 4.42Å; Y74-I124 HydrophobicContact CD1-CG2 4.44Å; Y74-I124 HydrophobicContact CE1-CG2 3.73Å; W101-I124 HydrophobicContact CZ3-CD1 4.29Å; A108-I124 CarbonylContact C-O 3.57Å; A108-I124 WeakPolarHBondContact CA-O 3.43Å; A108-I124 WeakPolarHBondContact CB-O 3.24Å; H109-I124 HydrophobicContact CB-CB 4.39Å; H109-I124 PolarHBondContact N-O 2.85Å; H109-I124 PolarHBondContact O-N 3.38Å; L111-I124 HydrophobicContact CD2-CD1 3.74Å; L111-I124 HydrophobicContact CG-CD1 3.9Å; W122-I124 HydrophobicContact CB-CD1 4.45Å; I124-V164 HydrophobicContact CG2-CG1 3.67Å; I124-E165 WeakPolarHBondContact CA-O 3.25Å
125	G	93.5	Very high	93.2	Very high	14 Å²	14	47.3 Å²	47.3	14%	0.144	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	144.3	-178	0	0	0	0	0	111.7	E165	G125-E165 PolarHBondContact N-O 2.9Å; G125-E165 PolarHBondContact O-N 3.13Å
126	E	92.4	Very high	92.7	Very high	98 Å²	98	52.7 Å²	52.7	46%	0.458	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	139.8	169.4	-67	-176.2	-178.5	0	0	110.4	Y74 L162 V164	Y74-E126 WeakPolarHBondContact OH-CG 3.17Å; Y74-E126 PolarHBondContact OH-OE1 3.4Å; E126-L162 HydrophobicContact CB-CD1 3.84Å; E126-L162 HydrophobicContact CG-CD1 4.24Å; E126-V164 HydrophobicContact CG-CG2 4.49Å
127	R	89.6	Confident	92.2	Very high	97 Å²	97	56.8 Å²	56.8	37%	0.366	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	118.4	173.5	-170	173	78	-152.2	2.1	110	K129 M163 E165	R127-K129 WeakPolarHBondContact CD-O 3.47Å; R127-K129 VanDerWaalsContact CG-O 3.28Å; R127-K129 WeakPolarHBondContact CG-O 3.34Å; R127-M163 PolarHBondContact N-O 3.02Å; R127-M163 PolarHBondContact O-N 3.27Å; R127-E165 IonicContact CZ-OE1 3.99Å; R127-E165 IonicContact CZ-OE2 3.1Å; R127-E165 IonicContact NH1-OE1 2.82Å; R127-E165 PolarHBondContact NH1-OE1 3.48Å; R127-E165 IonicContact NH1-OE2 2.69Å; R127-E165 PolarHBondContact NH1-OE2 2.95Å; R127-E165 IonicContact NH2-OE1 3.1Å; R127-E165 PolarHBondContact NH2-OE1 3.06Å; R127-E165 VanDerWaalsContact NH2-OE1 3.1Å
128	D	90.8	Very high	91.4	Very high	83 Å²	83	58 Å²	58	44%	0.444	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	3.6	179.4	69.9	-29.5	0	0	0	112.6	M160 L162	D128-M160 WeakPolarHBondContact O-CG 3.39Å; D128-M160 PolarHBondContact O-N 3.06Å; D128-M160 VanDerWaalsContact O-O 3.13Å; D128-L162 HydrophobicContact CB-CD1 4.34Å
129	K	90.6	Very high	90.4	Very high	102 Å²	102	66.3 Å²	66.3	44%	0.443	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	143.9	-177.1	-67.6	169.2	-165.9	174.7	0	111.9	R127 L157 M158	R127-K129 WeakPolarHBondContact CD-O 3.47Å; R127-K129 VanDerWaalsContact CG-O 3.28Å; R127-K129 WeakPolarHBondContact CG-O 3.34Å; K129-L157 HydrophobicContact CB-CB 4.49Å; K129-M158 VanDerWaalsContact CA-O 3.3Å; K129-M158 WeakPolarHBondContact CA-O 3.33Å
130	R	89.3	Confident	89.4	Confident	134 Å²	134	72.7 Å²	72.7	51%	0.506	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.7	171.8	64.5	-174.4	-168.2	-167.7	3.3	111.4	E132 L157 M158 M160	R130-E132 HydrophobicContact CG-CG 4.31Å; R130-E132 IonicContact CZ-OE1 3.11Å; R130-E132 IonicContact NE-OE1 2.72Å; R130-E132 PolarHBondContact NE-OE1 3.03Å; R130-E132 IonicContact NH2-OE1 2.7Å; R130-E132 PolarHBondContact NH2-OE1 3.21Å; R130-L157 WeakPolarHBondContact O-CA 3.25Å; R130-M158 PolarHBondContact N-O 2.88Å; R130-M158 PolarHBondContact O-N 2.92Å; R130-M160 HydrophobicContact CB-CG 4.5Å; R130-M160 HydrophobicContact CB-SD 3.74Å; R130-M160 HydrophobicContact CG-CB 4.24Å; R130-M160 HydrophobicContact CG-SD 4.28Å
131	A	89.6	Confident	88.6	Confident	37 Å²	37	73.3 Å²	73.3	31%	0.306	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	126.8	175.2	0	0	0	0	0	110.5	Y134 P155 L157	A131-Y134 WeakPolarHBondContact O-CE2 3.34Å; A131-P155 HydrophobicContact CB-CB 4.28Å; A131-L157 HydrophobicContact CB-CD2 4.22Å
132	E	87.4	Confident	87.9	Confident	55 Å²	55	81 Å²	81	26%	0.257	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	161.6	176.1	-69.7	-173.3	176	0	0	111.4	R130 P155 V156 M158	R130-E132 HydrophobicContact CG-CG 4.31Å; R130-E132 IonicContact CZ-OE1 3.11Å; R130-E132 IonicContact NE-OE1 2.72Å; R130-E132 PolarHBondContact NE-OE1 3.03Å; R130-E132 IonicContact NH2-OE1 2.7Å; R130-E132 PolarHBondContact NH2-OE1 3.21Å; E132-P155 CarbonylContact O-C 3.55Å; E132-P155 WeakPolarHBondContact O-CA 3.42Å; E132-P155 WeakPolarHBondContact O-CB 3.44Å; E132-V156 PolarHBondContact N-O 3.29Å; E132-V156 PolarHBondContact O-N 3.16Å; E132-M158 HydrophobicContact CB-CG 4.06Å; E132-M158 HydrophobicContact CG-CB 4.42Å; E132-M158 HydrophobicContact CG-CG 4.25Å
133	G	86.1	Confident	87.3	Confident	40 Å²	40	87.2 Å²	87.2	41%	0.412	43%	0.431	S	S	.	.			trans	90.5	36	178.8	0	0	0	0	0	114.8
134	Y	87.3	Confident	86.6	Confident	125 Å²	125	88.9 Å²	88.9	49%	0.49	44%	0.435	S	S	.	.			trans	-62.8	144.6	174.2	-67.2	-82	0	0	0	112	A131 P155	A131-Y134 WeakPolarHBondContact O-CE2 3.34Å; Y134-P155 HydrophobicContact CD1-CG 4.15Å; Y134-P155 HydrophobicContact CE1-CG 4.25Å
135	N	88.1	Confident	86	Confident	39 Å²	39	92.3 Å²	92.3	21%	0.209	45%	0.454	C	S	.	.	S	Bend	trans	-69.9	-35.3	-179.2	-69.4	-54.6	0	0	0	113.2	R144 L152 R153	N135-R144 WeakPolarHBondContact O-CD 3.38Å; N135-L152 HydrophobicContact CB-CD2 4.46Å; N135-R153 PolarHBondContact ND2-O 3.16Å; N135-R153 PolarHBondContact OD1-N 2.92Å; N135-R153 PolarHBondContact OD1-O 3.21Å
136	L	87.6	Confident	85.4	Confident	112 Å²	112	96.2 Å²	96.2	59%	0.586	48%	0.477	S	S	*	.	S	Bend	trans	-99.5	-9.1	-171.7	-58.4	179.3	0	0	0	113.5	L143 R144 I149	L136-L143 CarbonylContact O-C 3.59Å; L136-L143 WeakPolarHBondContact O-CA 3.46Å; L136-R144 PolarHBondContact O-N 3.1Å; L136-I149 HydrophobicContact CD2-CD1 3.69Å
137	K	84.5	Confident	85	Confident	109 Å²	109	100.7 Å²	100.7	47%	0.474	50%	0.495	S	S	.	.	B	Isolated β-bridge	trans	-126.2	136.8	-179	-65.2	-175.9	179.7	-175.9	0	110.4	R142 R144	K137-R142 CarbonylContact C-O 3.59Å; K137-R142 VanDerWaalsContact CA-O 3.22Å; K137-R142 WeakPolarHBondContact CA-O 3.29Å; K137-R144 PolarHBondContact O-NE 3.18Å
138	D	78.7	Confident	84.6	Confident	53 Å²	53	105.5 Å²	105.5	28%	0.283	51%	0.513	S	S	.	.			trans	-75.4	178.7	167.4	62	17.9	0	0	0	111.6	D140 G141 R142 R144	D138-D140 PolarHBondContact O-N 3.05Å; D138-D140 PolarHBondContact OD1-N 3.02Å; D138-G141 PolarHBondContact O-N 3.21Å; D138-G141 PolarHBondContact OD1-N 3.26Å; D138-R142 PolarHBondContact N-O 2.99Å; D138-R142 WeakPolarHBondContact OD1-CA 3.37Å; D138-R142 WeakPolarHBondContact OD1-CB 3.23Å; D138-R142 PolarHBondContact OD1-N 2.84Å; D138-R144 HydrophobicContact CB-CG 4.26Å
139	E	75.4	Confident	84.3	Confident	181 Å²	181	104.1 Å²	104.1	85%	0.846	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.5	-177.6	-65.5	-171.1	172.4	0	0	112.2	G141	E139-G141 VanDerWaalsContact C-N 3.26Å; E139-G141 PolarHBondContact O-N 2.92Å
140	D	78.6	Confident	84.1	Confident	135 Å²	135	105.5 Å²	105.5	72%	0.722	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	4.6	174.6	-60.5	-42.9	0	0	0	112.9	D138 R142	D138-D140 PolarHBondContact O-N 3.05Å; D138-D140 PolarHBondContact OD1-N 3.02Å; D140-R142 VanDerWaalsContact C-N 3.28Å; D140-R142 HydrophobicContact CB-CG 4.45Å; D140-R142 PolarHBondContact O-N 2.77Å
141	G	80.1	Confident	84	Confident	43 Å²	43	102.1 Å²	102.1	44%	0.443	52%	0.519	S	S	.	.	S	Bend	trans	76.9	6.4	178.4	0	0	0	0	0	115	D138 E139	D138-G141 PolarHBondContact O-N 3.21Å; D138-G141 PolarHBondContact OD1-N 3.26Å; E139-G141 VanDerWaalsContact C-N 3.26Å; E139-G141 PolarHBondContact O-N 2.92Å
142	R	84.7	Confident	84	Confident	177 Å²	177	107.3 Å²	107.3	67%	0.668	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-78.7	146.3	178.3	-57.9	-179.9	173.1	-179	-0.2	110.5	K137 D138 D140 R144	K137-R142 CarbonylContact C-O 3.59Å; K137-R142 VanDerWaalsContact CA-O 3.22Å; K137-R142 WeakPolarHBondContact CA-O 3.29Å; D138-R142 PolarHBondContact N-O 2.99Å; D138-R142 WeakPolarHBondContact OD1-CA 3.37Å; D138-R142 WeakPolarHBondContact OD1-CB 3.23Å; D138-R142 PolarHBondContact OD1-N 2.84Å; D140-R142 VanDerWaalsContact C-N 3.28Å; D140-R142 HydrophobicContact CB-CG 4.45Å; D140-R142 PolarHBondContact O-N 2.77Å; R142-R144 PolarHBondContact O-N 3.01Å
143	L	85.2	Confident	84	Confident	144 Å²	144	112 Å²	112	75%	0.754	56%	0.556	S	S	*	*	B	Isolated β-bridge	trans	-63.9	125.5	177.4	-70.2	170.4	0	0	0	110.1	L136	L136-L143 CarbonylContact O-C 3.59Å; L136-L143 WeakPolarHBondContact O-CA 3.46Å
144	R	82.8	Confident	84.3	Confident	88 Å²	88	116.2 Å²	116.2	33%	0.332	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-73.3	142.6	172.8	-68.7	-177.3	176.6	178.4	2.4	109.5	N135 L136 K137 D138 R142 P146	N135-R144 WeakPolarHBondContact O-CD 3.38Å; L136-R144 PolarHBondContact O-N 3.1Å; K137-R144 PolarHBondContact O-NE 3.18Å; D138-R144 HydrophobicContact CB-CG 4.26Å; R142-R144 PolarHBondContact O-N 3.01Å; R144-P146 WeakPolarHBondContact O-CD 3.26Å
145	D	83.1	Confident	84.5	Confident	72 Å²	72	112.8 Å²	112.8	39%	0.385	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-59	119.3	172	178	1.6	0	0	0	109.8	F147 R148	D145-F147 PolarHBondContact O-N 2.98Å; D145-F147 VanDerWaalsContact O-N 3.12Å; D145-F147 WeakPolarHBondContact OD1-CD2 3.35Å; D145-F147 PolarHBondContact OD1-N 3.22Å; D145-F147 VanDerWaalsContact OD1-N 3.08Å; D145-R148 HydrophobicContact CB-CB 4.38Å; D145-R148 HydrophobicContact CB-CG 4.01Å; D145-R148 PolarHBondContact O-N 3.24Å; D145-R148 IonicContact OD2-NE 3.77Å
146	P	82.1	Confident	84.7	Confident	96 Å²	96	115.5 Å²	115.5	62%	0.623	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-53.9	-32	-179.6	-27.1	35.2	0	0	0	113.7	R144 R148 I149	R144-P146 WeakPolarHBondContact O-CD 3.26Å; P146-R148 PolarHBondContact O-N 3.04Å; P146-I149 PolarHBondContact O-N 2.97Å
147	F	83.5	Confident	84.9	Confident	192 Å²	192	115.6 Å²	115.6	84%	0.842	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-74.2	-12.5	-179.7	-64.2	-75.7	0	0	0	113.6	D145	D145-F147 PolarHBondContact O-N 2.98Å; D145-F147 VanDerWaalsContact O-N 3.12Å; D145-F147 WeakPolarHBondContact OD1-CD2 3.35Å; D145-F147 PolarHBondContact OD1-N 3.22Å; D145-F147 VanDerWaalsContact OD1-N 3.08Å
148	R	81.6	Confident	85.3	Confident	199 Å²	199	114.3 Å²	114.3	75%	0.751	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-94.3	-4.4	176.1	-63.9	-174	-179	-160.3	-3.7	113.4	D145 P146 T150	D145-R148 HydrophobicContact CB-CB 4.38Å; D145-R148 HydrophobicContact CB-CG 4.01Å; D145-R148 PolarHBondContact O-N 3.24Å; D145-R148 IonicContact OD2-NE 3.77Å; P146-R148 PolarHBondContact O-N 3.04Å; R148-T150 PolarHBondContact O-N 3.34Å
149	I	84.3	Confident	85.9	Confident	53 Å²	53	116.9 Å²	116.9	27%	0.272	60%	0.601	S	S	.	*			trans	-84.3	94.3	-179.5	-55.2	177.8	0	0	0	108.7	L136 P146	L136-I149 HydrophobicContact CD2-CD1 3.69Å; P146-I149 PolarHBondContact O-N 2.97Å
150	T	86.9	Confident	86.6	Confident	132 Å²	132	110.4 Å²	110.4	81%	0.81	57%	0.571	S	S	*	*			trans	-92.3	-14.4	-178	56.2	0	0	0	0	113.9	R148	R148-T150 PolarHBondContact O-N 3.34Å
151	S	86.4	Confident	87.1	Confident	62 Å²	62	110.9 Å²	110.9	43%	0.434	57%	0.574	S	S	.	*	S	Bend	trans	-155.5	148.8	-179.7	51.3	0	0	0	0	110.8
152	L	89.9	Confident	87.6	Confident	146 Å²	146	113.8 Å²	113.8	76%	0.764	58%	0.579	S	S	*	*			trans	-89.9	138.2	173.3	-62.8	178.1	0	0	0	110.1	N135	N135-L152 HydrophobicContact CB-CD2 4.46Å
153	R	87.7	Confident	87.8	Confident	155 Å²	155	108.6 Å²	108.6	59%	0.585	56%	0.563	S	S	*	*			trans	-122.1	152	177.6	-55.9	-178.4	-169.5	-179.7	2.1	109.7	N135	N135-R153 PolarHBondContact ND2-O 3.16Å; N135-R153 PolarHBondContact OD1-N 2.92Å; N135-R153 PolarHBondContact OD1-O 3.21Å
154	V	91.9	Very high	88.2	Confident	128 Å²	128	103.5 Å²	103.5	78%	0.776	54%	0.538	S	S	*	.			trans	-95.8	131.7	171.6	-179.1	0	0	0	0	107.9
155	P	91.3	Very high	88.7	Confident	53 Å²	53	103.2 Å²	103.2	34%	0.344	54%	0.54	S	S	.	.			trans	-58.1	144.3	175.7	-25.4	34.8	0	0	0	112.3	A131 E132 Y134	A131-P155 HydrophobicContact CB-CB 4.28Å; E132-P155 CarbonylContact O-C 3.55Å; E132-P155 WeakPolarHBondContact O-CA 3.42Å; E132-P155 WeakPolarHBondContact O-CB 3.44Å; Y134-P155 HydrophobicContact CD1-CG 4.15Å; Y134-P155 HydrophobicContact CE1-CG 4.25Å
156	V	92.1	Very high	89.3	Confident	95 Å²	95	101.1 Å²	101.1	58%	0.576	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	143	178.7	-177.4	0	0	0	0	109.1	E132 M158	E132-V156 PolarHBondContact N-O 3.29Å; E132-V156 PolarHBondContact O-N 3.16Å; V156-M158 PolarHBondContact O-N 3.04Å
157	L	93	Very high	90	Very high	114 Å²	114	98.7 Å²	98.7	60%	0.597	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	116.7	174	-68.9	175.8	0	0	0	109.8	K129 R130 A131	K129-L157 HydrophobicContact CB-CB 4.49Å; R130-L157 WeakPolarHBondContact O-CA 3.25Å; A131-L157 HydrophobicContact CB-CD2 4.22Å
158	M	91.3	Very high	90.6	Very high	83 Å²	83	93.3 Å²	93.3	41%	0.409	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	141.7	176.3	-64.3	-67	-85.7	0	0	109.7	K129 R130 E132 V156	K129-M158 VanDerWaalsContact CA-O 3.3Å; K129-M158 WeakPolarHBondContact CA-O 3.33Å; R130-M158 PolarHBondContact N-O 2.88Å; R130-M158 PolarHBondContact O-N 2.92Å; E132-M158 HydrophobicContact CB-CG 4.06Å; E132-M158 HydrophobicContact CG-CB 4.42Å; E132-M158 HydrophobicContact CG-CG 4.25Å; V156-M158 PolarHBondContact O-N 3.04Å
159	P	92	Very high	91.3	Very high	106 Å²	106	90.2 Å²	90.2	69%	0.688	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.1	142.4	172.3	-21.5	32.6	0	0	0	111.6
160	M	91.3	Very high	91.9	Very high	45 Å²	45	91.4 Å²	91.4	22%	0.222	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	167.5	172.4	63.4	174.7	-68.9	0	0	109.8	D128 R130 M163	D128-M160 WeakPolarHBondContact O-CG 3.39Å; D128-M160 PolarHBondContact O-N 3.06Å; D128-M160 VanDerWaalsContact O-O 3.13Å; R130-M160 HydrophobicContact CB-CG 4.5Å; R130-M160 HydrophobicContact CB-SD 3.74Å; R130-M160 HydrophobicContact CG-CB 4.24Å; R130-M160 HydrophobicContact CG-SD 4.28Å; M160-M163 HydrophobicContact CE-CB 4.04Å; M160-M163 HydrophobicContact CE-SD 4.22Å
161	D	89	Confident	92.4	Very high	146 Å²	146	88.4 Å²	88.4	78%	0.781	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.3	141.2	171.8	-63	-32.1	0	0	0	110.7	M163	D161-M163 PolarHBondContact O-N 2.98Å; D161-M163 VanDerWaalsContact O-N 3.16Å
162	L	88.7	Confident	92.9	Very high	103 Å²	103	85.5 Å²	85.5	54%	0.539	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	120.4	-179	-175.1	70.7	0	0	0	109.8	E126 D128	E126-L162 HydrophobicContact CB-CD1 3.84Å; E126-L162 HydrophobicContact CG-CD1 4.24Å; D128-L162 HydrophobicContact CB-CD1 4.34Å
163	M	90.3	Very high	93.1	Very high	69 Å²	69	80 Å²	80	34%	0.34	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.4	178.8	-162.7	178	80.6	0	0	109.8	R127 M160 D161 E165	R127-M163 PolarHBondContact N-O 3.02Å; R127-M163 PolarHBondContact O-N 3.27Å; M160-M163 HydrophobicContact CE-CB 4.04Å; M160-M163 HydrophobicContact CE-SD 4.22Å; D161-M163 PolarHBondContact O-N 2.98Å; D161-M163 VanDerWaalsContact O-N 3.16Å; M163-E165 VanDerWaalsContact CE-CD 3.46Å; M163-E165 HydrophobicContact CE-CG 3.48Å; M163-E165 VanDerWaalsContact CE-CG 3.48Å; M163-E165 WeakPolarHBondContact CE-OE1 3.2Å
164	V	93.3	Very high	93.2	Very high	37 Å²	37	80.5 Å²	80.5	22%	0.224	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.3	178.5	-174.9	0	0	0	0	108.7	Y74 I124 E126	Y74-V164 HydrophobicContact CD1-CG1 4.09Å; Y74-V164 HydrophobicContact CD2-CG2 3.91Å; Y74-V164 HydrophobicContact CE1-CG1 3.57Å; Y74-V164 HydrophobicContact CE1-CG2 4.32Å; Y74-V164 HydrophobicContact CE2-CB 4.44Å; Y74-V164 HydrophobicContact CE2-CG1 4.21Å; Y74-V164 HydrophobicContact CE2-CG2 3.38Å; I124-V164 HydrophobicContact CG2-CG1 3.67Å; E126-V164 HydrophobicContact CG-CG2 4.49Å
165	E	92.8	Very high	93.3	Very high	81 Å²	81	75.5 Å²	75.5	38%	0.379	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.6	178.2	-68.1	-175.8	150.4	0	0	110.3	I124 G125 R127 M163	I124-E165 WeakPolarHBondContact CA-O 3.25Å; G125-E165 PolarHBondContact N-O 2.9Å; G125-E165 PolarHBondContact O-N 3.13Å; R127-E165 IonicContact CZ-OE1 3.99Å; R127-E165 IonicContact CZ-OE2 3.1Å; R127-E165 IonicContact NH1-OE1 2.82Å; R127-E165 PolarHBondContact NH1-OE1 3.48Å; R127-E165 IonicContact NH1-OE2 2.69Å; R127-E165 PolarHBondContact NH1-OE2 2.95Å; R127-E165 IonicContact NH2-OE1 3.1Å; R127-E165 PolarHBondContact NH2-OE1 3.06Å; R127-E165 VanDerWaalsContact NH2-OE1 3.1Å; M163-E165 VanDerWaalsContact CE-CD 3.46Å; M163-E165 HydrophobicContact CE-CG 3.48Å; M163-E165 VanDerWaalsContact CE-CG 3.48Å; M163-E165 WeakPolarHBondContact CE-OE1 3.2Å
166	A	96.3	Very high	93.5	Very high	29 Å²	29	73.6 Å²	73.6	24%	0.24	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.4	167.1	0	0	0	0	0	109.4	F77 W122 K123	F77-A166 HydrophobicContact CB-CB 3.97Å; F77-A166 HydrophobicContact CD1-CB 3.25Å; F77-A166 HydrophobicContact CD2-CB 4.31Å; F77-A166 HydrophobicContact CE1-CB 3.72Å; F77-A166 HydrophobicContact CG-CB 3.58Å; F77-A166 HydrophobicContact CZ-CB 4.41Å; W122-A166 HydrophobicContact CE3-CB 4.48Å; K123-A166 CarbonylContact O-C 3.54Å; K123-A166 WeakPolarHBondContact O-CA 3.31Å
167	S	95.8	Very high	93.6	Very high	45 Å²	45	72.2 Å²	72.2	32%	0.315	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	134.3	-180	55.8	0	0	0	0	111.3	W122 K123 R169	W122-S167 VanDerWaalsContact CE3-C 3.47Å; K123-S167 PolarHBondContact N-O 3.22Å; K123-S167 PolarHBondContact O-N 3.18Å; K123-S167 PolarHBondContact O-OG 3.16Å; S167-R169 PolarHBondContact O-N 2.93Å
168	P	96.2	Very high	93.6	Very high	78 Å²	78	68.9 Å²	68.9	51%	0.506	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	118.8	173.3	29.5	-30	0	0	0	108.1	W122	W122-P168 HydrophobicContact CD2-CB 4.39Å; W122-P168 HydrophobicContact CE3-CB 4.15Å; W122-P168 HydrophobicContact CH2-CB 3.8Å; W122-P168 HydrophobicContact CH2-CG 4Å; W122-P168 HydrophobicContact CZ2-CB 4Å; W122-P168 HydrophobicContact CZ3-CB 3.89Å; W122-P168 VanDerWaalsContact CZ3-CD 3.43Å; W122-P168 HydrophobicContact CZ3-CG 4.02Å
169	R	96.1	Very high	93.8	Very high	135 Å²	135	69 Å²	69	51%	0.509	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-44	178.1	-77.5	-88.6	160.5	143.8	-22.5	111.2	F110 L121 K123 S167	F110-R169 HydrophobicContact CE1-CG 4.39Å; L121-R169 HydrophobicContact CB-CB 4.47Å; L121-R169 HydrophobicContact CD2-CB 4.14Å; L121-R169 HydrophobicContact CG-CB 4.1Å; L121-R169 WeakPolarHBondContact O-CB 3.35Å; L121-R169 PolarHBondContact O-N 2.94Å; K123-R169 HydrophobicContact CB-CG 3.59Å; S167-R169 PolarHBondContact O-N 2.93Å
170	R	97.2	Very high	94.1	Very high	78 Å²	78	64 Å²	64	29%	0.294	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	151.8	-172.4	-62.8	-178.7	-174.8	-89	9.5	110.9	K120 L121 F172 L205 E206 T208	K120-R170 WeakPolarHBondContact CA-O 3.21Å; L121-R170 HydrophobicContact CB-CB 4.05Å; L121-R170 HydrophobicContact CD2-CB 4.43Å; L121-R170 HydrophobicContact CD2-CG 4.34Å; L121-R170 PolarHBondContact N-O 2.8Å; L121-R170 PolarHBondContact O-N 3.4Å; R170-F172 HydrophobicContact CB-CE2 3.99Å; R170-F172 HydrophobicContact CB-CZ 4.05Å; R170-L205 WeakPolarHBondContact CD-O 3.44Å; R170-L205 PolarHBondContact NE-O 3.34Å; R170-E206 VanDerWaalsContact CZ-CA 3.42Å; R170-E206 VanDerWaalsContact CZ-O 3.22Å; R170-E206 PolarHBondContact NH1-O 3.47Å; R170-E206 PolarHBondContact NH2-O 3.25Å; R170-T208 HydrophobicContact CB-CG2 3.74Å; R170-T208 HydrophobicContact CG-CG2 4.11Å
171	V	97.4	Very high	94.4	Very high	69 Å²	69	62.8 Å²	62.8	42%	0.418	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	121	177.8	-175.3	0	0	0	0	107.4	T118 K120 A173 T208	T118-V171 HydrophobicContact CG2-CG1 3.44Å; T118-V171 VanDerWaalsContact CG2-CG1 3.44Å; K120-V171 HydrophobicContact CG-CG1 4.27Å; K120-V171 HydrophobicContact CG-CG2 4.21Å; V171-A173 HydrophobicContact CG1-CB 4.39Å; V171-T208 WeakPolarHBondContact O-CB 3.44Å; V171-T208 WeakPolarHBondContact O-CG2 3.36Å
172	F	97.6	Very high	94.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	103.6	177.9	-50	-94.4	0	0	0	107.3	L112 I119 L121 R170 Y192 W203 I207 T208	L112-F172 HydrophobicContact CD2-CE2 4.27Å; I119-F172 HydrophobicContact CB-CB 4.22Å; I119-F172 HydrophobicContact CB-CD2 4.3Å; I119-F172 HydrophobicContact CD1-CB 4.4Å; I119-F172 HydrophobicContact CG2-CD2 4.38Å; I119-F172 PolarHBondContact N-O 3.02Å; I119-F172 PolarHBondContact O-N 2.95Å; L121-F172 HydrophobicContact CB-CE2 4.04Å; R170-F172 HydrophobicContact CB-CE2 3.99Å; R170-F172 HydrophobicContact CB-CZ 4.05Å; F172-Y192 WeakPolarHBondContact CB-OH 3.44Å; F172-Y192 HydrophobicContact CD1-CE1 4.39Å; F172-Y192 WeakPolarHBondContact CD1-OH 3.47Å; F172-Y192 HydrophobicContact CD2-CE1 4.4Å; F172-Y192 WeakPolarHBondContact CD2-OH 3.31Å; F172-Y192 HydrophobicContact CE1-CE1 4.1Å; F172-Y192 HydrophobicContact CE2-CE1 4.1Å; F172-Y192 WeakPolarHBondContact CG-OH 3.25Å; F172-Y192 AromaticContact CZ-CE1 3.95Å; F172-Y192 HydrophobicContact CZ-CE1 3.95Å; F172-W203 HydrophobicContact CB-CD2 4.36Å; F172-W203 HydrophobicContact CB-CE3 3.98Å; F172-W203 HydrophobicContact CB-CH2 3.83Å; F172-W203 HydrophobicContact CB-CZ2 4.22Å; F172-W203 HydrophobicContact CB-CZ3 3.73Å; F172-W203 HydrophobicContact CD1-CD2 4.21Å; F172-W203 AromaticContact CD1-CE3 3.56Å; F172-W203 HydrophobicContact CD1-CE3 3.56Å; F172-W203 AromaticContact CD1-CZ3 3.95Å; F172-W203 HydrophobicContact CD1-CZ3 3.95Å; F172-W203 HydrophobicContact CE1-CE3 4.49Å; F172-W203 HydrophobicContact CG-CE3 4.19Å; F172-W203 HydrophobicContact CG-CZ3 4.34Å; F172-I207 WeakPolarHBondContact CE1-O 3.31Å; F172-T208 HydrophobicContact CD1-CG2 3.9Å; F172-T208 HydrophobicContact CE1-CG2 3.8Å; F172-T208 HydrophobicContact CG-CG2 4.47Å; F172-T208 HydrophobicContact CZ-CG2 4.3Å
173	A	94.1	Very high	95.3	Very high	32 Å²	32	51.4 Å²	51.4	26%	0.264	28%	0.275	S	S	.	.			trans	-128	169.7	-171.5	0	0	0	0	0	111.1	T118 V171 A175	T118-A173 HydrophobicContact CG2-CB 4.12Å; V171-A173 HydrophobicContact CG1-CB 4.39Å; A173-A175 PolarHBondContact O-N 3.09Å; A173-A175 VanDerWaalsContact O-N 3.12Å
174	N	90.1	Very high	95.7	Very high	164 Å²	164	48.5 Å²	48.5	88%	0.877	26%	0.261	S	S	*	.	S	Bend	trans	61	19	170	-58.1	-40.8	0	0	0	116.5
175	A	94.3	Very high	95.9	Very high	23 Å²	23	48 Å²	48	19%	0.19	26%	0.258	C	S	.	.			trans	-101.1	-17.7	174.9	0	0	0	0	0	114	A173 N201 W203 S211	A173-A175 PolarHBondContact O-N 3.09Å; A173-A175 VanDerWaalsContact O-N 3.12Å; A175-N201 PolarHBondContact O-ND2 2.66Å; A175-N201 VanDerWaalsContact O-ND2 3.13Å; A175-W203 HydrophobicContact CB-CH2 3.3Å; A175-W203 HydrophobicContact CB-CZ2 3.24Å; A175-W203 HydrophobicContact CB-CZ3 4.48Å; A175-S211 WeakPolarHBondContact CB-OG 3.4Å
176	H	95.4	Very high	96.1	Very high	13 Å²	13	44.5 Å²	44.5	6%	0.06	24%	0.242	C	C	.	.			trans	-106.8	129.5	-177.8	-75.2	-75.9	0	0	0	111	I180 S194 D196 N201	H176-I180 HydrophobicContact CB-CD1 4.22Å; H176-I180 HydrophobicContact CB-CG1 3.88Å; H176-S194 PolarHBondContact CE1-O 2.85Å; H176-S194 WeakPolarHBondContact NE2-CB 3.44Å; H176-S194 PolarHBondContact NE2-OG 2.85Å; H176-D196 HydrophobicContact CB-CB 4.42Å; H176-D196 IonicContact CE1-OD2 2.75Å; H176-D196 IonicContact CG-OD2 3.65Å; H176-D196 WeakPolarHBondContact ND1-CB 3.3Å; H176-D196 VanDerWaalsContact ND1-CG 3.31Å; H176-D196 IonicContact ND1-OD2 2.96Å; H176-D196 PolarHBondContact ND1-OD2 2.89Å; H176-N201 PolarHBondContact CE1-ND2 3.34Å; H176-N201 PolarHBondContact NE2-ND2 2.97Å
177	T	92.8	Very high	96.1	Very high	66 Å²	66	44.5 Å²	44.5	41%	0.405	24%	0.241	S	C	.	.	S	Bend	trans	-86.4	-35.7	174.1	-56.3	0	0	0	0	110.3	K117	K117-T177 PolarHBondContact NZ-O 2.98Å
178	Y	94.3	Very high	96.1	Very high	44 Å²	44	44.9 Å²	44.9	17%	0.173	24%	0.239	C	C	.	.	S	Bend	trans	-104.1	-171.8	-176.9	-53.5	-79.9	0	0	0	111.3	K117 D197 L198 K218 M222	K117-Y178 PolarHBondContact NZ-O 2.95Å; Y178-D197 HydrophobicContact CG-CB 4.48Å; Y178-L198 HydrophobicContact CD2-CB 4.11Å; Y178-L198 HydrophobicContact CD2-CD1 4.14Å; Y178-L198 HydrophobicContact CD2-CG 4.21Å; Y178-L198 HydrophobicContact CE1-CD1 4.11Å; Y178-L198 HydrophobicContact CE2-CB 4.09Å; Y178-L198 HydrophobicContact CE2-CD1 3.56Å; Y178-L198 HydrophobicContact CE2-CG 4.11Å; Y178-K218 PolarHBondContact OH-NZ 2.98Å; Y178-M222 HydrophobicContact CE1-CE 4.36Å
179	H	95.8	Very high	95.9	Very high	85 Å²	85	45.9 Å²	45.9	39%	0.394	24%	0.237	S	C	.	.			trans	-81.7	125.8	-175.4	-60.9	-76.9	0	0	0	110.6	D116 N181 D196 D197	D116-H179 HydrophobicContact CB-CB 4.48Å; D116-H179 VanDerWaalsContact CG-ND1 3.26Å; D116-H179 IonicContact OD1-ND1 2.67Å; D116-H179 IonicContact OD2-CE1 3.19Å; D116-H179 PolarHBondContact OD2-CE1 3.08Å; D116-H179 IonicContact OD2-CG 2.95Å; D116-H179 IonicContact OD2-ND1 2.62Å; D116-H179 PolarHBondContact OD2-ND1 2.98Å; H179-N181 PolarHBondContact O-N 2.89Å; H179-D196 WeakPolarHBondContact O-CA 3.31Å; H179-D196 WeakPolarHBondContact O-CB 3.42Å; H179-D197 IonicContact CD2-OD2 3.44Å; H179-D197 PolarHBondContact N-OD2 2.72Å
180	I	98.2	Very high	95.8	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.238	C	C	.	.			trans	-67.5	116.5	176.3	-62.3	165.4	0	0	0	109.2	N97 T114 D116 I119 H176 I183 A195	N97-I180 PolarHBondContact ND2-O 2.84Å; T114-I180 HydrophobicContact CG2-CG2 4.11Å; D116-I180 WeakPolarHBondContact O-CG1 3.34Å; D116-I180 PolarHBondContact O-N 2.69Å; I119-I180 HydrophobicContact CD1-CD1 3.79Å; I119-I180 HydrophobicContact CG1-CD1 4.22Å; H176-I180 HydrophobicContact CB-CD1 4.22Å; H176-I180 HydrophobicContact CB-CG1 3.88Å; I180-I183 HydrophobicContact CG2-CG2 4.41Å; I180-A195 CarbonylContact C-O 3.57Å; I180-A195 WeakPolarHBondContact CA-O 3.48Å
181	N	97	Very high	95.9	Very high	20 Å²	20	42 Å²	42	11%	0.107	23%	0.229	C	C	.	.			trans	-99.5	-24.5	177.4	59.8	56.7	0	0	0	112.8	K98 H179 A195 D196 I229	K98-N181 WeakPolarHBondContact CE-O 3.25Å; H179-N181 PolarHBondContact O-N 2.89Å; N181-A195 PolarHBondContact N-O 3.43Å; N181-A195 PolarHBondContact OD1-O 3.41Å; N181-D196 PolarHBondContact ND2-O 2.73Å; N181-D196 VanDerWaalsContact ND2-O 3.14Å; N181-I229 PolarHBondContact ND2-O 3.38Å; N181-I229 VanDerWaalsContact ND2-O 3.1Å
182	S	98.1	Very high	95.9	Very high	9 Å²	9	38.7 Å²	38.7	6%	0.063	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	144.9	-173.6	-54	0	0	0	0	113.3	S194 A195 A231 A232	S182-S194 CarbonylContact O-C 3.57Å; S182-S194 VanDerWaalsContact O-CA 3.28Å; S182-S194 WeakPolarHBondContact O-CA 3.49Å; S182-A195 PolarHBondContact N-O 2.95Å; S182-A195 PolarHBondContact O-N 3.46Å; S182-A231 VanDerWaalsContact OG-CA 3.32Å; S182-A231 WeakPolarHBondContact OG-CA 3.34Å; S182-A232 WeakPolarHBondContact CB-O 3.42Å; S182-A232 PolarHBondContact OG-N 2.93Å
183	I	98.5	Very high	95.9	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.9	162.6	49.7	167	0	0	0	108.4	K98 R100 L112 T114 I119 I180 L193	K98-I183 HydrophobicContact CB-CD1 4.19Å; K98-I183 HydrophobicContact CB-CG1 3.78Å; R100-I183 HydrophobicContact CB-CD1 4.21Å; R100-I183 HydrophobicContact CG-CD1 4.05Å; R100-I183 HydrophobicContact CG-CG1 3.86Å; R100-I183 WeakPolarHBondContact CG-O 3.19Å; R100-I183 PolarHBondContact NE-O 2.98Å; L112-I183 HydrophobicContact CB-CD1 3.88Å; T114-I183 HydrophobicContact CG2-CD1 3.92Å; T114-I183 HydrophobicContact CG2-CG1 4Å; T114-I183 HydrophobicContact CG2-CG2 3.94Å; I119-I183 HydrophobicContact CG1-CG2 4.01Å; I119-I183 HydrophobicContact CG2-CG2 4.48Å; I180-I183 HydrophobicContact CG2-CG2 4.41Å; I183-L193 WeakPolarHBondContact CA-O 3.33Å
184	S	98.4	Very high	96.1	Very high	8 Å²	8	37.1 Å²	37.1	6%	0.056	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	125.7	178.8	-171.5	0	0	0	0	111.1	Y192 L193 E233 C234	S184-Y192 CarbonylContact O-C 3.53Å; S184-Y192 VanDerWaalsContact O-CA 3.3Å; S184-Y192 WeakPolarHBondContact O-CA 2.88Å; S184-Y192 WeakPolarHBondContact O-CB 3.4Å; S184-L193 PolarHBondContact N-O 2.78Å; S184-L193 PolarHBondContact O-N 2.89Å; S184-E233 WeakPolarHBondContact OG-CG 3.3Å; S184-C234 PolarHBondContact OG-N 2.82Å
185	V	97.5	Very high	96.5	Very high	27 Å²	27	29.3 Å²	29.3	16%	0.164	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	134.7	-179.6	-179.4	0	0	0	0	108.9	R100 L102 L112	R100-V185 HydrophobicContact CB-CG2 4.28Å; L102-V185 HydrophobicContact CD2-CG1 4.34Å; L102-V185 HydrophobicContact CG-CG2 4.38Å; L112-V185 HydrophobicContact CD1-CG2 3.95Å
186	N	97.1	Very high	96.6	Very high	7 Å²	7	28.2 Å²	28.2	4%	0.037	15%	0.145	C	C	.	.			trans	-79.9	153.8	178.7	-160.1	-7.2	0	0	0	111	D188 H189 T191 C239	N186-D188 PolarHBondContact O-N 3.41Å; N186-H189 PolarHBondContact O-N 3.24Å; N186-T191 WeakPolarHBondContact CB-O 3.31Å; N186-T191 VanDerWaalsContact CB-OG1 3.29Å; N186-T191 WeakPolarHBondContact CB-OG1 3.32Å; N186-T191 PolarHBondContact N-O 2.96Å; N186-T191 PolarHBondContact ND2-OG1 2.89Å; N186-C239 PolarHBondContact ND2-O 2.99Å; N186-C239 WeakPolarHBondContact OD1-CA 3.16Å; N186-C239 PolarHBondContact OD1-O 2.89Å
187	S	95.9	Very high	96.7	Very high	30 Å²	30	29.4 Å²	29.4	21%	0.21	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-5.1	177.5	55.1	0	0	0	0	113.9	H189 P236 C239	S187-H189 VanDerWaalsContact C-N 3.27Å; S187-P236 WeakPolarHBondContact CB-O 3.34Å; S187-C239 VanDerWaalsContact OG-CA 3.25Å; S187-C239 WeakPolarHBondContact OG-CA 3.49Å; S187-C239 PolarHBondContact OG-N 3.06Å; S187-C239 VanDerWaalsContact OG-N 3.16Å
188	D	95.4	Very high	96.9	Very high	53 Å²	53	26.4 Å²	26.4	28%	0.283	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.8	173.2	70	6.2	0	0	0	114.1	N186 Q190 T191 C239	N186-D188 PolarHBondContact O-N 3.41Å; D188-Q190 PolarHBondContact O-N 3.02Å; D188-Q190 VanDerWaalsContact O-N 3.14Å; D188-Q190 PolarHBondContact OD1-N 3.39Å; D188-T191 VanDerWaalsContact CG-OG1 3.27Å; D188-T191 PolarHBondContact OD1-N 3.36Å; D188-T191 PolarHBondContact OD1-OG1 2.9Å; D188-T191 WeakPolarHBondContact OD2-CB 3.23Å; D188-T191 WeakPolarHBondContact OD2-CG2 3.46Å; D188-T191 PolarHBondContact OD2-OG1 3.35Å; D188-C239 HydrophobicContact CB-CB 4.11Å
189	H	92.4	Very high	97	Very high	98 Å²	98	27.4 Å²	27.4	45%	0.454	14%	0.137	S	C	.	.	S	Bend	trans	59.9	15	-177.1	-52.7	-62.9	0	0	0	115.4	N186 S187	N186-H189 PolarHBondContact O-N 3.24Å; S187-H189 VanDerWaalsContact C-N 3.27Å
190	Q	95.1	Very high	97.1	Very high	114 Å²	114	23.3 Å²	23.3	53%	0.533	12%	0.118	S	C	.	.	S	Bend	trans	-125.3	-32.9	-178	-69.6	-174.5	0.2	0	0	112.2	D188 L205	D188-Q190 PolarHBondContact O-N 3.02Å; D188-Q190 VanDerWaalsContact O-N 3.14Å; D188-Q190 PolarHBondContact OD1-N 3.39Å; Q190-L205 WeakPolarHBondContact O-CB 3.27Å; Q190-L205 WeakPolarHBondContact O-CG 3.38Å; Q190-L205 PolarHBondContact O-N 3.34Å
191	T	97.6	Very high	97.1	Very high	17 Å²	17	23.6 Å²	23.6	10%	0.104	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	161.3	-175.9	68.3	0	0	0	0	112.8	N186 D188 W203	N186-T191 WeakPolarHBondContact CB-O 3.31Å; N186-T191 VanDerWaalsContact CB-OG1 3.29Å; N186-T191 WeakPolarHBondContact CB-OG1 3.32Å; N186-T191 PolarHBondContact N-O 2.96Å; N186-T191 PolarHBondContact ND2-OG1 2.89Å; D188-T191 VanDerWaalsContact CG-OG1 3.27Å; D188-T191 PolarHBondContact OD1-N 3.36Å; D188-T191 PolarHBondContact OD1-OG1 2.9Å; D188-T191 WeakPolarHBondContact OD2-CB 3.23Å; D188-T191 WeakPolarHBondContact OD2-CG2 3.46Å; D188-T191 PolarHBondContact OD2-OG1 3.35Å; T191-W203 CarbonylContact C-O 3.58Å; T191-W203 WeakPolarHBondContact CA-O 3.38Å; T191-W203 WeakPolarHBondContact CB-O 3.39Å
192	Y	98.4	Very high	97.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	154.9	169.7	76.4	-86.2	0	0	0	109.2	L112 I119 F172 S184 W203 L205	L112-Y192 HydrophobicContact CD1-CD1 4.04Å; L112-Y192 HydrophobicContact CD1-CD2 3.8Å; L112-Y192 HydrophobicContact CD1-CE1 4.37Å; L112-Y192 HydrophobicContact CD1-CE2 4.2Å; L112-Y192 HydrophobicContact CD1-CG 3.74Å; I119-Y192 HydrophobicContact CG2-CE2 4.23Å; F172-Y192 WeakPolarHBondContact CB-OH 3.44Å; F172-Y192 HydrophobicContact CD1-CE1 4.39Å; F172-Y192 WeakPolarHBondContact CD1-OH 3.47Å; F172-Y192 HydrophobicContact CD2-CE1 4.4Å; F172-Y192 WeakPolarHBondContact CD2-OH 3.31Å; F172-Y192 HydrophobicContact CE1-CE1 4.1Å; F172-Y192 HydrophobicContact CE2-CE1 4.1Å; F172-Y192 WeakPolarHBondContact CG-OH 3.25Å; F172-Y192 AromaticContact CZ-CE1 3.95Å; F172-Y192 HydrophobicContact CZ-CE1 3.95Å; S184-Y192 CarbonylContact O-C 3.53Å; S184-Y192 VanDerWaalsContact O-CA 3.3Å; S184-Y192 WeakPolarHBondContact O-CA 2.88Å; S184-Y192 WeakPolarHBondContact O-CB 3.4Å; Y192-W203 HydrophobicContact CD1-CB 3.74Å; Y192-W203 HydrophobicContact CE1-CB 3.31Å; Y192-W203 AromaticContact CE1-CG 3.89Å; Y192-W203 HydrophobicContact CE1-CG 3.89Å; Y192-W203 HydrophobicContact CE2-CB 4.17Å; Y192-W203 AromaticContact CE2-CD1 3.66Å; Y192-W203 HydrophobicContact CE2-CG 4Å; Y192-W203 HydrophobicContact CG-CB 4.35Å; Y192-W203 AromaticContact CZ-CD1 3.69Å; Y192-W203 AromaticContact CZ-CG 3.55Å; Y192-W203 PolarHBondContact N-O 2.63Å; Y192-W203 PolarHBondContact O-N 3.11Å; Y192-L205 HydrophobicContact CD1-CD2 3.55Å; Y192-L205 HydrophobicContact CD1-CG 4.2Å; Y192-L205 HydrophobicContact CE1-CD2 4.06Å; Y192-L205 HydrophobicContact CG-CD2 4.46Å
193	L	97.7	Very high	97.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	151.4	172.5	67	78.1	0	0	0	111.3	I183 S184 I200 N201 A232 C234 F242	I183-L193 WeakPolarHBondContact CA-O 3.33Å; S184-L193 PolarHBondContact N-O 2.78Å; S184-L193 PolarHBondContact O-N 2.89Å; L193-I200 HydrophobicContact CB-CG2 4.12Å; L193-N201 CarbonylContact C-O 3.55Å; L193-N201 VanDerWaalsContact CA-O 3.3Å; L193-N201 WeakPolarHBondContact CA-O 3.44Å; L193-A232 HydrophobicContact CD1-CB 4.01Å; L193-C234 WeakPolarHBondContact CD2-SG 3.34Å; L193-F242 HydrophobicContact CD2-CB 3.88Å; L193-F242 HydrophobicContact CD2-CD2 4.18Å; L193-F242 HydrophobicContact CD2-CG 4.17Å
194	S	98.5	Very high	97.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	137.4	162.7	59.3	0	0	0	0	109.8	H176 S182 I200 N201 W203	H176-S194 PolarHBondContact CE1-O 2.85Å; H176-S194 WeakPolarHBondContact NE2-CB 3.44Å; H176-S194 PolarHBondContact NE2-OG 2.85Å; S182-S194 CarbonylContact O-C 3.57Å; S182-S194 VanDerWaalsContact O-CA 3.28Å; S182-S194 WeakPolarHBondContact O-CA 3.49Å; S194-I200 WeakPolarHBondContact O-CA 3.31Å; S194-N201 PolarHBondContact N-O 3.47Å; S194-N201 PolarHBondContact O-N 2.86Å; S194-W203 PolarHBondContact OG-NE1 2.9Å
195	A	98.3	Very high	97	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135.9	179.8	0	0	0	0	0	110.7	I180 N181 S182 R199 I200 I229 A232	I180-A195 CarbonylContact C-O 3.57Å; I180-A195 WeakPolarHBondContact CA-O 3.48Å; N181-A195 PolarHBondContact N-O 3.43Å; N181-A195 PolarHBondContact OD1-O 3.41Å; S182-A195 PolarHBondContact N-O 2.95Å; S182-A195 PolarHBondContact O-N 3.46Å; A195-R199 CarbonylContact C-O 3.58Å; A195-R199 WeakPolarHBondContact CA-O 3.31Å; A195-I200 HydrophobicContact CB-CD1 4.44Å; A195-I200 HydrophobicContact CB-CG1 3.84Å; A195-I200 HydrophobicContact CB-CG2 4.47Å; A195-I229 HydrophobicContact CB-CG2 4.34Å; A195-A232 HydrophobicContact CB-CB 3.68Å
196	D	97.2	Very high	97	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.156	C	C	.	.			trans	-107.2	-169.2	163.5	69.3	34	0	0	0	110.6	H176 H179 N181 L198 R199 I229	H176-D196 HydrophobicContact CB-CB 4.42Å; H176-D196 IonicContact CE1-OD2 2.75Å; H176-D196 IonicContact CG-OD2 3.65Å; H176-D196 WeakPolarHBondContact ND1-CB 3.3Å; H176-D196 VanDerWaalsContact ND1-CG 3.31Å; H176-D196 IonicContact ND1-OD2 2.96Å; H176-D196 PolarHBondContact ND1-OD2 2.89Å; H179-D196 WeakPolarHBondContact O-CA 3.31Å; H179-D196 WeakPolarHBondContact O-CB 3.42Å; N181-D196 PolarHBondContact ND2-O 2.73Å; N181-D196 VanDerWaalsContact ND2-O 3.14Å; D196-L198 PolarHBondContact O-N 2.77Å; D196-L198 PolarHBondContact OD1-N 3.1Å; D196-R199 PolarHBondContact N-O 3.04Å; D196-R199 WeakPolarHBondContact OD1-CA 2.99Å; D196-R199 WeakPolarHBondContact OD1-CB 3.5Å; D196-R199 PolarHBondContact OD1-N 3.11Å; D196-I229 WeakPolarHBondContact O-CB 3.3Å
197	D	96.6	Very high	97	Very high	38 Å²	38	34.6 Å²	34.6	20%	0.203	17%	0.169	C	C	.	.	S	Bend	trans	-62.6	-21.2	-176.2	-56.1	-41.9	0	0	0	114.2	Y178 H179 V228 I229	Y178-D197 HydrophobicContact CG-CB 4.48Å; H179-D197 IonicContact CD2-OD2 3.44Å; H179-D197 PolarHBondContact N-OD2 2.72Å; D197-V228 HydrophobicContact CB-CB 4.36Å; D197-V228 HydrophobicContact CB-CG1 4.48Å; D197-V228 CarbonylContact O-C 3.56Å; D197-V228 VanDerWaalsContact O-CA 3.31Å; D197-V228 WeakPolarHBondContact O-CA 3.43Å; D197-V228 WeakPolarHBondContact O-CB 3.32Å; D197-I229 PolarHBondContact O-N 3.2Å
198	L	96.9	Very high	97	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	17%	0.174	C	C	.	.	S	Bend	trans	-133.9	-11.9	-177	-59.9	-179.8	0	0	0	114.5	Y178 D196 I217 K218 M222 L225 V228	Y178-L198 HydrophobicContact CD2-CB 4.11Å; Y178-L198 HydrophobicContact CD2-CD1 4.14Å; Y178-L198 HydrophobicContact CD2-CG 4.21Å; Y178-L198 HydrophobicContact CE1-CD1 4.11Å; Y178-L198 HydrophobicContact CE2-CB 4.09Å; Y178-L198 HydrophobicContact CE2-CD1 3.56Å; Y178-L198 HydrophobicContact CE2-CG 4.11Å; D196-L198 PolarHBondContact O-N 2.77Å; D196-L198 PolarHBondContact OD1-N 3.1Å; L198-I217 HydrophobicContact CB-CG1 4.3Å; L198-I217 HydrophobicContact CD2-CD1 4.3Å; L198-I217 HydrophobicContact CD2-CG1 4.1Å; L198-I217 VanDerWaalsContact O-CG1 3.31Å; L198-I217 WeakPolarHBondContact O-CG1 3.42Å; L198-I217 PolarHBondContact O-N 3.02Å; L198-K218 HydrophobicContact CB-CB 4.45Å; L198-K218 HydrophobicContact CD1-CB 4.16Å; L198-K218 HydrophobicContact CD1-CG 4.28Å; L198-M222 HydrophobicContact CD1-CE 4.34Å; L198-M222 HydrophobicContact CD1-SD 4.34Å; L198-L225 HydrophobicContact CD1-CD1 4.49Å; L198-L225 HydrophobicContact CD2-CD1 3.51Å; L198-V228 HydrophobicContact CD2-CG1 4.12Å
199	R	96.7	Very high	96.9	Very high	65 Å²	65	38.5 Å²	38.5	25%	0.245	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	146.2	-170.2	-72.1	178.1	174.4	-172.7	-9.6	112.8	A195 D196 V215 D216	A195-R199 CarbonylContact C-O 3.58Å; A195-R199 WeakPolarHBondContact CA-O 3.31Å; D196-R199 PolarHBondContact N-O 3.04Å; D196-R199 WeakPolarHBondContact OD1-CA 2.99Å; D196-R199 WeakPolarHBondContact OD1-CB 3.5Å; D196-R199 PolarHBondContact OD1-N 3.11Å; R199-V215 VanDerWaalsContact CA-O 3.26Å; R199-V215 WeakPolarHBondContact CA-O 3.47Å; R199-D216 HydrophobicContact CG-CB 4.25Å; R199-D216 VanDerWaalsContact CG-OD1 3.31Å; R199-D216 WeakPolarHBondContact CG-OD1 3.26Å; R199-D216 IonicContact CZ-OD1 3.63Å; R199-D216 IonicContact CZ-OD2 2.74Å; R199-D216 VanDerWaalsContact CZ-OD2 3.28Å; R199-D216 VanDerWaalsContact NE-CG 3.28Å; R199-D216 IonicContact NE-OD1 3.45Å; R199-D216 PolarHBondContact NE-OD1 3.11Å; R199-D216 VanDerWaalsContact NE-OD1 3.11Å; R199-D216 IonicContact NE-OD2 2.78Å; R199-D216 PolarHBondContact NE-OD2 3.23Å; R199-D216 IonicContact NH2-OD1 2.84Å; R199-D216 IonicContact NH2-OD2 3.16Å; R199-D216 PolarHBondContact NH2-OD2 3.02Å
200	I	97.9	Very high	97	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126	169.9	-51	-179.9	0	0	0	108.7	L193 S194 A195 N213 I214 V215 I229 A232 F242 Y244	L193-I200 HydrophobicContact CB-CG2 4.12Å; S194-I200 WeakPolarHBondContact O-CA 3.31Å; A195-I200 HydrophobicContact CB-CD1 4.44Å; A195-I200 HydrophobicContact CB-CG1 3.84Å; A195-I200 HydrophobicContact CB-CG2 4.47Å; I200-N213 PolarHBondContact O-ND2 3.09Å; I200-I214 HydrophobicContact CB-CG1 4.09Å; I200-I214 HydrophobicContact CG2-CD1 3.92Å; I200-I214 HydrophobicContact CG2-CG1 3.96Å; I200-I214 VanDerWaalsContact O-CG1 3.31Å; I200-I214 WeakPolarHBondContact O-CG1 3.35Å; I200-I214 PolarHBondContact O-N 3.45Å; I200-V215 HydrophobicContact CB-CB 3.96Å; I200-V215 HydrophobicContact CB-CG2 4.3Å; I200-V215 HydrophobicContact CD1-CB 4.17Å; I200-V215 HydrophobicContact CD1-CG2 4.13Å; I200-V215 HydrophobicContact CG1-CB 4.02Å; I200-V215 HydrophobicContact CG1-CG2 4.44Å; I200-V215 PolarHBondContact N-O 3.17Å; I200-V215 PolarHBondContact O-N 3.3Å; I200-I229 HydrophobicContact CD1-CD1 4.09Å; I200-I229 HydrophobicContact CG1-CD1 3.78Å; I200-A232 HydrophobicContact CD1-CB 4.09Å; I200-F242 HydrophobicContact CD1-CD2 4.46Å; I200-F242 HydrophobicContact CD1-CE2 3.88Å; I200-Y244 HydrophobicContact CD1-CD1 3.87Å; I200-Y244 HydrophobicContact CD1-CG 3.82Å
201	N	97.9	Very high	97.1	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.032	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.7	179.8	-65.5	-33.4	0	0	0	110.1	A175 H176 L193 S194 F212 N213	A175-N201 PolarHBondContact O-ND2 2.66Å; A175-N201 VanDerWaalsContact O-ND2 3.13Å; H176-N201 PolarHBondContact CE1-ND2 3.34Å; H176-N201 PolarHBondContact NE2-ND2 2.97Å; L193-N201 CarbonylContact C-O 3.55Å; L193-N201 VanDerWaalsContact CA-O 3.3Å; L193-N201 WeakPolarHBondContact CA-O 3.44Å; S194-N201 PolarHBondContact N-O 3.47Å; S194-N201 PolarHBondContact O-N 2.86Å; N201-F212 CarbonylContact C-O 3.6Å; N201-F212 WeakPolarHBondContact CA-O 3.24Å; N201-N213 WeakPolarHBondContact OD1-CA 3.08Å; N201-N213 WeakPolarHBondContact OD1-CB 3.48Å; N201-N213 PolarHBondContact OD1-ND2 3.2Å
202	L	97.8	Very high	97	Very high	36 Å²	36	42.4 Å²	42.4	19%	0.188	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.2	170.8	-172.3	68.4	0	0	0	109.7	F212 I214 M256	L202-F212 PolarHBondContact N-O 2.76Å; L202-F212 PolarHBondContact O-N 3.05Å; L202-I214 HydrophobicContact CB-CG2 4.02Å; L202-M256 HydrophobicContact CD1-CE 4.35Å
203	W	98.3	Very high	96.9	Very high	6 Å²	6	44.5 Å²	44.5	2%	0.023	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	150.4	-179.7	-61	86.3	0	0	0	110.6	I119 F172 A175 T191 Y192 S194	I119-W203 HydrophobicContact CD1-CZ2 4.32Å; F172-W203 HydrophobicContact CB-CD2 4.36Å; F172-W203 HydrophobicContact CB-CE3 3.98Å; F172-W203 HydrophobicContact CB-CH2 3.83Å; F172-W203 HydrophobicContact CB-CZ2 4.22Å; F172-W203 HydrophobicContact CB-CZ3 3.73Å; F172-W203 HydrophobicContact CD1-CD2 4.21Å; F172-W203 AromaticContact CD1-CE3 3.56Å; F172-W203 HydrophobicContact CD1-CE3 3.56Å; F172-W203 AromaticContact CD1-CZ3 3.95Å; F172-W203 HydrophobicContact CD1-CZ3 3.95Å; F172-W203 HydrophobicContact CE1-CE3 4.49Å; F172-W203 HydrophobicContact CG-CE3 4.19Å; F172-W203 HydrophobicContact CG-CZ3 4.34Å; A175-W203 HydrophobicContact CB-CH2 3.3Å; A175-W203 HydrophobicContact CB-CZ2 3.24Å; A175-W203 HydrophobicContact CB-CZ3 4.48Å; T191-W203 CarbonylContact C-O 3.58Å; T191-W203 WeakPolarHBondContact CA-O 3.38Å; T191-W203 WeakPolarHBondContact CB-O 3.39Å; Y192-W203 HydrophobicContact CD1-CB 3.74Å; Y192-W203 HydrophobicContact CE1-CB 3.31Å; Y192-W203 AromaticContact CE1-CG 3.89Å; Y192-W203 HydrophobicContact CE1-CG 3.89Å; Y192-W203 HydrophobicContact CE2-CB 4.17Å; Y192-W203 AromaticContact CE2-CD1 3.66Å; Y192-W203 HydrophobicContact CE2-CG 4Å; Y192-W203 HydrophobicContact CG-CB 4.35Å; Y192-W203 AromaticContact CZ-CD1 3.69Å; Y192-W203 AromaticContact CZ-CG 3.55Å; Y192-W203 PolarHBondContact N-O 2.63Å; Y192-W203 PolarHBondContact O-N 3.11Å; S194-W203 PolarHBondContact OG-NE1 2.9Å
204	H	98	Very high	96.9	Very high	56 Å²	56	44.8 Å²	44.8	26%	0.259	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	134.1	162.9	-168.8	-86.1	0	0	0	108.6	E206 I207	H204-E206 PolarHBondContact ND1-N 3.03Å; H204-E206 PolarHBondContact O-N 2.95Å; H204-I207 HydrophobicContact CB-CB 4.13Å; H204-I207 HydrophobicContact CB-CD1 4.1Å; H204-I207 HydrophobicContact CB-CG1 4.11Å; H204-I207 PolarHBondContact O-N 3.35Å; H204-I207 VanDerWaalsContact O-O 3.12Å
205	L	96.4	Very high	96.8	Very high	17 Å²	17	44.9 Å²	44.9	9%	0.089	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.7	-176.1	-71.6	167.1	0	0	0	113.5	L102 L112 R170 Q190 Y192	L102-L205 HydrophobicContact CD2-CD1 3.39Å; L102-L205 HydrophobicContact CD2-CD2 3.7Å; L102-L205 HydrophobicContact CD2-CG 4.2Å; L112-L205 HydrophobicContact CD1-CD2 4.41Å; L112-L205 HydrophobicContact CD2-CD2 4.46Å; R170-L205 WeakPolarHBondContact CD-O 3.44Å; R170-L205 PolarHBondContact NE-O 3.34Å; Q190-L205 WeakPolarHBondContact O-CB 3.27Å; Q190-L205 WeakPolarHBondContact O-CG 3.38Å; Q190-L205 PolarHBondContact O-N 3.34Å; Y192-L205 HydrophobicContact CD1-CD2 3.55Å; Y192-L205 HydrophobicContact CD1-CG 4.2Å; Y192-L205 HydrophobicContact CE1-CD2 4.06Å; Y192-L205 HydrophobicContact CG-CD2 4.46Å
206	E	96.4	Very high	96.6	Very high	129 Å²	129	48.2 Å²	48.2	60%	0.603	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-5.7	179.5	-57.9	-163.8	147	0	0	115.8	R170 H204	R170-E206 VanDerWaalsContact CZ-CA 3.42Å; R170-E206 VanDerWaalsContact CZ-O 3.22Å; R170-E206 PolarHBondContact NH1-O 3.47Å; R170-E206 PolarHBondContact NH2-O 3.25Å; H204-E206 PolarHBondContact ND1-N 3.03Å; H204-E206 PolarHBondContact O-N 2.95Å
207	I	96.7	Very high	96.5	Very high	60 Å²	60	50.5 Å²	50.5	31%	0.308	25%	0.246	S	C	.	.			trans	-120.9	115.7	-173.7	-56.7	178.6	0	0	0	108.4	F172 H204 D209 R210	F172-I207 WeakPolarHBondContact CE1-O 3.31Å; H204-I207 HydrophobicContact CB-CB 4.13Å; H204-I207 HydrophobicContact CB-CD1 4.1Å; H204-I207 HydrophobicContact CB-CG1 4.11Å; H204-I207 PolarHBondContact O-N 3.35Å; H204-I207 VanDerWaalsContact O-O 3.12Å; I207-D209 WeakPolarHBondContact CG2-OD1 3.4Å; I207-R210 HydrophobicContact CG2-CB 4.28Å
208	T	96.3	Very high	96.4	Very high	51 Å²	51	53 Å²	53	31%	0.313	26%	0.255	S	S	.	.			trans	-105.8	-19.6	-173.5	55.3	0	0	0	0	113.6	R170 V171 F172	R170-T208 HydrophobicContact CB-CG2 3.74Å; R170-T208 HydrophobicContact CG-CG2 4.11Å; V171-T208 WeakPolarHBondContact O-CB 3.44Å; V171-T208 WeakPolarHBondContact O-CG2 3.36Å; F172-T208 HydrophobicContact CD1-CG2 3.9Å; F172-T208 HydrophobicContact CE1-CG2 3.8Å; F172-T208 HydrophobicContact CG-CG2 4.47Å; F172-T208 HydrophobicContact CZ-CG2 4.3Å
209	D	93.7	Very high	96.2	Very high	114 Å²	114	54.1 Å²	54.1	61%	0.61	26%	0.263	S	S	*	.	S	Bend	trans	-84.4	-12.9	-175.3	59.3	-56.2	0	0	0	113.4	I207	I207-D209 WeakPolarHBondContact CG2-OD1 3.4Å
210	R	94.8	Very high	96	Very high	165 Å²	165	56.6 Å²	56.6	62%	0.623	30%	0.297	S	S	*	.			trans	-142.5	139.2	-175.2	-72.2	172.1	-76	162.7	5.7	110.8	I207	I207-R210 HydrophobicContact CG2-CB 4.28Å
211	S	96.5	Very high	95.7	Very high	46 Å²	46	59.7 Å²	59.7	32%	0.322	31%	0.313	S	S	.	.			trans	-130.2	157.3	166.4	61.8	0	0	0	0	109.2	A175	A175-S211 WeakPolarHBondContact CB-OG 3.4Å
212	F	96.8	Very high	95.4	Very high	100 Å²	100	63.2 Å²	63.2	44%	0.439	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.6	177	-179.4	-119.2	0	0	0	109.6	N201 L202 I214 A260 L261	N201-F212 CarbonylContact C-O 3.6Å; N201-F212 WeakPolarHBondContact CA-O 3.24Å; L202-F212 PolarHBondContact N-O 2.76Å; L202-F212 PolarHBondContact O-N 3.05Å; F212-I214 HydrophobicContact CD1-CG2 3.42Å; F212-I214 VanDerWaalsContact CD1-CG2 3.42Å; F212-I214 HydrophobicContact CE1-CG2 3.61Å; F212-I214 HydrophobicContact CG-CG2 4.48Å; F212-I214 PolarHBondContact O-N 3.41Å; F212-A260 VanDerWaalsContact CE1-O 3.27Å; F212-A260 WeakPolarHBondContact CE1-O 3.21Å; F212-L261 HydrophobicContact CE2-CD2 4.45Å; F212-L261 HydrophobicContact CZ-CD2 3.94Å
213	N	96.7	Very high	95.2	Very high	44 Å²	44	69.7 Å²	69.7	24%	0.235	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	118.7	175.4	-180	-101.6	0	0	0	109.6	I200 N201 V215	I200-N213 PolarHBondContact O-ND2 3.09Å; N201-N213 WeakPolarHBondContact OD1-CA 3.08Å; N201-N213 WeakPolarHBondContact OD1-CB 3.48Å; N201-N213 PolarHBondContact OD1-ND2 3.2Å; N213-V215 PolarHBondContact ND2-O 3.43Å; N213-V215 PolarHBondContact OD1-O 2.98Å
214	I	96.3	Very high	94.8	Very high	5 Å²	5	75.5 Å²	75.5	3%	0.026	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-23.9	-177.7	55.5	170	0	0	0	112.6	I200 L202 F212 F242 M256 C262	I200-I214 HydrophobicContact CB-CG1 4.09Å; I200-I214 HydrophobicContact CG2-CD1 3.92Å; I200-I214 HydrophobicContact CG2-CG1 3.96Å; I200-I214 VanDerWaalsContact O-CG1 3.31Å; I200-I214 WeakPolarHBondContact O-CG1 3.35Å; I200-I214 PolarHBondContact O-N 3.45Å; L202-I214 HydrophobicContact CB-CG2 4.02Å; F212-I214 HydrophobicContact CD1-CG2 3.42Å; F212-I214 VanDerWaalsContact CD1-CG2 3.42Å; F212-I214 HydrophobicContact CE1-CG2 3.61Å; F212-I214 HydrophobicContact CG-CG2 4.48Å; F212-I214 PolarHBondContact O-N 3.41Å; I214-F242 HydrophobicContact CD1-CD1 4.45Å; I214-F242 HydrophobicContact CD1-CE1 3.79Å; I214-F242 HydrophobicContact CD1-CE2 4.24Å; I214-F242 HydrophobicContact CD1-CZ 3.67Å; I214-F242 HydrophobicContact CG1-CZ 4.4Å; I214-M256 HydrophobicContact CD1-CE 3.77Å; I214-C262 WeakPolarHBondContact O-CA 3.3Å; I214-C262 WeakPolarHBondContact O-CB 3.23Å; I214-C262 PolarHBondContact O-N 2.85Å
215	V	96.4	Very high	94.6	Very high	3 Å²	3	75.9 Å²	75.9	2%	0.018	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131.8	175.8	178.9	0	0	0	0	108.3	R199 I200 N213 I217 I229 F242 Y244 C262	R199-V215 VanDerWaalsContact CA-O 3.26Å; R199-V215 WeakPolarHBondContact CA-O 3.47Å; I200-V215 HydrophobicContact CB-CB 3.96Å; I200-V215 HydrophobicContact CB-CG2 4.3Å; I200-V215 HydrophobicContact CD1-CB 4.17Å; I200-V215 HydrophobicContact CD1-CG2 4.13Å; I200-V215 HydrophobicContact CG1-CB 4.02Å; I200-V215 HydrophobicContact CG1-CG2 4.44Å; I200-V215 PolarHBondContact N-O 3.17Å; I200-V215 PolarHBondContact O-N 3.3Å; N213-V215 PolarHBondContact ND2-O 3.43Å; N213-V215 PolarHBondContact OD1-O 2.98Å; V215-I217 HydrophobicContact CG1-CG2 3.97Å; V215-I229 HydrophobicContact CG1-CD1 4.35Å; V215-F242 HydrophobicContact CG2-CE2 4.02Å; V215-F242 HydrophobicContact CG2-CZ 3.76Å; V215-Y244 HydrophobicContact CG1-CE1 4.22Å; V215-Y244 HydrophobicContact CG2-CE1 4.33Å; V215-C262 HydrophobicContact CG2-CB 3.9Å
216	D	95.1	Very high	94.4	Very high	70 Å²	70	79.3 Å²	79.3	37%	0.374	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	105	170.1	-165.4	1.5	0	0	0	108.7	R199 K218	R199-D216 HydrophobicContact CG-CB 4.25Å; R199-D216 VanDerWaalsContact CG-OD1 3.31Å; R199-D216 WeakPolarHBondContact CG-OD1 3.26Å; R199-D216 IonicContact CZ-OD1 3.63Å; R199-D216 IonicContact CZ-OD2 2.74Å; R199-D216 VanDerWaalsContact CZ-OD2 3.28Å; R199-D216 VanDerWaalsContact NE-CG 3.28Å; R199-D216 IonicContact NE-OD1 3.45Å; R199-D216 PolarHBondContact NE-OD1 3.11Å; R199-D216 VanDerWaalsContact NE-OD1 3.11Å; R199-D216 IonicContact NE-OD2 2.78Å; R199-D216 PolarHBondContact NE-OD2 3.23Å; R199-D216 IonicContact NH2-OD1 2.84Å; R199-D216 IonicContact NH2-OD2 3.16Å; R199-D216 PolarHBondContact NH2-OD2 3.02Å; D216-K218 VanDerWaalsContact C-N 3.33Å; D216-K218 WeakPolarHBondContact OD1-CB 3.48Å; D216-K218 PolarHBondContact OD1-N 3.05Å
217	I	94.2	Very high	94.3	Very high	47 Å²	47	74.7 Å²	74.7	24%	0.241	39%	0.391	C	S	.	.			trans	-96.5	11.4	176	65.4	161.6	0	0	0	112	L198 V215 P219 I229	L198-I217 HydrophobicContact CB-CG1 4.3Å; L198-I217 HydrophobicContact CD2-CD1 4.3Å; L198-I217 HydrophobicContact CD2-CG1 4.1Å; L198-I217 VanDerWaalsContact O-CG1 3.31Å; L198-I217 WeakPolarHBondContact O-CG1 3.42Å; L198-I217 PolarHBondContact O-N 3.02Å; V215-I217 HydrophobicContact CG1-CG2 3.97Å; I217-P219 WeakPolarHBondContact O-CD 3.16Å; I217-I229 HydrophobicContact CD1-CD1 4.3Å; I217-I229 HydrophobicContact CD1-CG1 3.62Å; I217-I229 HydrophobicContact CG1-CD1 4.23Å; I217-I229 HydrophobicContact CG1-CG1 4.08Å
218	K	94.4	Very high	94.3	Very high	90 Å²	90	73.7 Å²	73.7	39%	0.391	39%	0.387	S	S	.	.			trans	-60.6	122.4	179.7	175.9	172.1	174.7	153.2	0	110.7	Y178 L198 D216 M222	Y178-K218 PolarHBondContact OH-NZ 2.98Å; L198-K218 HydrophobicContact CB-CB 4.45Å; L198-K218 HydrophobicContact CD1-CB 4.16Å; L198-K218 HydrophobicContact CD1-CG 4.28Å; D216-K218 VanDerWaalsContact C-N 3.33Å; D216-K218 WeakPolarHBondContact OD1-CB 3.48Å; D216-K218 PolarHBondContact OD1-N 3.05Å; K218-M222 HydrophobicContact CG-SD 4.37Å
219	P	92.9	Very high	94.4	Very high	27 Å²	27	71.3 Å²	71.3	18%	0.175	37%	0.373	C	S	.	.			trans	-68.7	155.6	175	31	-36.5	0	0	0	110.8	I217 N221 E224 L225	I217-P219 WeakPolarHBondContact O-CD 3.16Å; P219-N221 VanDerWaalsContact C-N 3.27Å; P219-N221 WeakPolarHBondContact CB-O 3.35Å; P219-N221 VanDerWaalsContact CG-O 3.26Å; P219-N221 WeakPolarHBondContact CG-O 3.34Å; P219-N221 PolarHBondContact O-N 3.24Å; P219-E224 HydrophobicContact CB-CB 4.48Å; P219-L225 HydrophobicContact CG-CB 4.22Å; P219-L225 HydrophobicContact CG-CD1 4.27Å
220	A	92.2	Very high	94.6	Very high	116 Å²	116	66.3 Å²	66.3	96%	0.959	35%	0.347	S	S	*	.	S	Bend	trans	-60.5	-39.3	175.2	0	0	0	0	0	111.7
221	N	93	Very high	94.7	Very high	65 Å²	65	58.7 Å²	58.7	35%	0.348	32%	0.319	S	S	.	.	S	Bend	trans	-109.8	124.6	169.9	-173.8	0.7	0	0	0	110	P219 E223 E224	P219-N221 VanDerWaalsContact C-N 3.27Å; P219-N221 WeakPolarHBondContact CB-O 3.35Å; P219-N221 VanDerWaalsContact CG-O 3.26Å; P219-N221 WeakPolarHBondContact CG-O 3.34Å; P219-N221 PolarHBondContact O-N 3.24Å; N221-E223 PolarHBondContact ND2-OE2 3.35Å; N221-E223 PolarHBondContact O-N 2.93Å; N221-E223 PolarHBondContact OD1-N 2.85Å; N221-E223 VanDerWaalsContact OD1-N 3.1Å; N221-E224 HydrophobicContact CB-CG 4.17Å; N221-E224 WeakPolarHBondContact O-CB 3.36Å; N221-E224 PolarHBondContact O-N 3.17Å
222	M	91.5	Very high	94.8	Very high	81 Å²	81	56.8 Å²	56.8	40%	0.399	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-63.3	-21.6	178	-75	-63.9	-56.4	0	0	113.1	Y178 L198 K218 E224 L225	Y178-M222 HydrophobicContact CE1-CE 4.36Å; L198-M222 HydrophobicContact CD1-CE 4.34Å; L198-M222 HydrophobicContact CD1-SD 4.34Å; K218-M222 HydrophobicContact CG-SD 4.37Å; M222-E224 PolarHBondContact O-N 2.62Å; M222-L225 HydrophobicContact CE-CD2 4.14Å; M222-L225 VanDerWaalsContact O-CB 3.23Å; M222-L225 WeakPolarHBondContact O-CB 3.29Å; M222-L225 PolarHBondContact O-N 2.82Å
223	E	91.9	Very high	94.9	Very high	171 Å²	171	53.3 Å²	53.3	80%	0.799	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-69.1	-21.6	174.2	-62.3	176	158.7	0	0	112.7	N221 L225	N221-E223 PolarHBondContact ND2-OE2 3.35Å; N221-E223 PolarHBondContact O-N 2.93Å; N221-E223 PolarHBondContact OD1-N 2.85Å; N221-E223 VanDerWaalsContact OD1-N 3.1Å; E223-L225 PolarHBondContact O-N 3.14Å
224	E	91.3	Very high	94.9	Very high	128 Å²	128	51.5 Å²	51.5	60%	0.598	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-89.4	11.5	176.7	-61.9	177.1	177.8	0	0	112.1	P219 N221 M222 T226	P219-E224 HydrophobicContact CB-CB 4.48Å; N221-E224 HydrophobicContact CB-CG 4.17Å; N221-E224 WeakPolarHBondContact O-CB 3.36Å; N221-E224 PolarHBondContact O-N 3.17Å; M222-E224 PolarHBondContact O-N 2.62Å; E224-T226 PolarHBondContact O-N 3.22Å
225	L	93.1	Very high	95	Very high	64 Å²	64	51.6 Å²	51.6	34%	0.335	28%	0.282	S	S	.	.			trans	-65.8	111	178.2	-179	65	0	0	0	110	L198 P219 M222 E223 E227 V228	L198-L225 HydrophobicContact CD1-CD1 4.49Å; L198-L225 HydrophobicContact CD2-CD1 3.51Å; P219-L225 HydrophobicContact CG-CB 4.22Å; P219-L225 HydrophobicContact CG-CD1 4.27Å; M222-L225 HydrophobicContact CE-CD2 4.14Å; M222-L225 VanDerWaalsContact O-CB 3.23Å; M222-L225 WeakPolarHBondContact O-CB 3.29Å; M222-L225 PolarHBondContact O-N 2.82Å; E223-L225 PolarHBondContact O-N 3.14Å; L225-E227 VanDerWaalsContact CD1-O 3.29Å; L225-E227 WeakPolarHBondContact CD1-O 3.19Å; L225-V228 HydrophobicContact CD1-CG1 4.24Å; L225-V228 HydrophobicContact CD2-CG1 4.11Å; L225-V228 HydrophobicContact CG-CG1 4.43Å
226	T	92.1	Very high	95	Very high	90 Å²	90	54.1 Å²	54.1	55%	0.552	30%	0.299	S	S	*	.			trans	-113.6	-16.8	177.3	65.9	0	0	0	0	113.4	E224 K248	E224-T226 PolarHBondContact O-N 3.22Å; T226-K248 VanDerWaalsContact CB-NZ 3.33Å; T226-K248 WeakPolarHBondContact O-CE 3.44Å; T226-K248 PolarHBondContact OG1-NZ 3.05Å
227	E	94	Very high	95	Very high	31 Å²	31	56 Å²	56	15%	0.145	31%	0.308	C	S	.	.			trans	-143.1	135.1	-170.1	-171.8	174.7	-166.7	0	0	110.3	L225 S246 K248 T250 R252	L225-E227 VanDerWaalsContact CD1-O 3.29Å; L225-E227 WeakPolarHBondContact CD1-O 3.19Å; E227-S246 WeakPolarHBondContact OE1-CB 3.1Å; E227-S246 PolarHBondContact OE1-OG 3.22Å; E227-K248 HydrophobicContact CB-CD 4.35Å; E227-K248 HydrophobicContact CB-CG 4.44Å; E227-K248 HydrophobicContact CG-CD 4.45Å; E227-K248 HydrophobicContact CG-CG 4.26Å; E227-T250 PolarHBondContact OE1-OG1 3.49Å; E227-R252 VanDerWaalsContact CD-NH2 3.31Å; E227-R252 IonicContact OE1-CZ 3.25Å; E227-R252 VanDerWaalsContact OE1-CZ 3.28Å; E227-R252 IonicContact OE1-NH1 3.8Å; E227-R252 PolarHBondContact OE1-NH1 3.34Å; E227-R252 IonicContact OE1-NH2 2.81Å; E227-R252 PolarHBondContact OE1-NH2 3.01Å; E227-R252 IonicContact OE2-CZ 3.94Å; E227-R252 IonicContact OE2-NH1 3.72Å; E227-R252 IonicContact OE2-NH2 3.55Å; E227-R252 PolarHBondContact OE2-NH2 2.71Å
228	V	96.9	Very high	95.1	Very high	39 Å²	39	58.2 Å²	58.2	24%	0.236	32%	0.318	C	S	.	.			trans	-124.9	150.3	173.4	-62.8	0	0	0	0	110.5	D197 L198 L225 T230 S246 S247	D197-V228 HydrophobicContact CB-CB 4.36Å; D197-V228 HydrophobicContact CB-CG1 4.48Å; D197-V228 CarbonylContact O-C 3.56Å; D197-V228 VanDerWaalsContact O-CA 3.31Å; D197-V228 WeakPolarHBondContact O-CA 3.43Å; D197-V228 WeakPolarHBondContact O-CB 3.32Å; L198-V228 HydrophobicContact CD2-CG1 4.12Å; L225-V228 HydrophobicContact CD1-CG1 4.24Å; L225-V228 HydrophobicContact CD2-CG1 4.11Å; L225-V228 HydrophobicContact CG-CG1 4.43Å; V228-T230 HydrophobicContact CG2-CG2 4.45Å; V228-S246 CarbonylContact O-C 3.28Å; V228-S246 WeakPolarHBondContact O-CA 3.3Å; V228-S247 PolarHBondContact N-OG 3.05Å; V228-S247 VanDerWaalsContact N-OG 3.16Å; V228-S247 PolarHBondContact O-N 3.4Å
229	I	97.9	Very high	95.2	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	129.9	172.1	-56.6	179.4	0	0	0	108.4	N181 A195 D196 D197 I200 V215 I217 Y244 S245	N181-I229 PolarHBondContact ND2-O 3.38Å; N181-I229 VanDerWaalsContact ND2-O 3.1Å; A195-I229 HydrophobicContact CB-CG2 4.34Å; D196-I229 WeakPolarHBondContact O-CB 3.3Å; D197-I229 PolarHBondContact O-N 3.2Å; I200-I229 HydrophobicContact CD1-CD1 4.09Å; I200-I229 HydrophobicContact CG1-CD1 3.78Å; V215-I229 HydrophobicContact CG1-CD1 4.35Å; I217-I229 HydrophobicContact CD1-CD1 4.3Å; I217-I229 HydrophobicContact CD1-CG1 3.62Å; I217-I229 HydrophobicContact CG1-CD1 4.23Å; I217-I229 HydrophobicContact CG1-CG1 4.08Å; I229-Y244 HydrophobicContact CD1-CD2 4.2Å; I229-Y244 HydrophobicContact CD1-CE2 4.4Å; I229-Y244 HydrophobicContact CG1-CD2 3.96Å; I229-Y244 HydrophobicContact CG1-CE2 4.23Å; I229-Y244 HydrophobicContact CG2-CD2 4.23Å; I229-S245 WeakPolarHBondContact CA-O 3.37Å
230	T	97.8	Very high	95.4	Very high	10 Å²	10	55.6 Å²	55.6	6%	0.061	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-33.8	-175.9	53.8	0	0	0	0	113.7	V228 S245 I288	V228-T230 HydrophobicContact CG2-CG2 4.45Å; T230-S245 PolarHBondContact N-O 2.62Å; T230-S245 PolarHBondContact OG1-O 2.95Å; T230-S245 PolarHBondContact OG1-OG 2.81Å; T230-I288 WeakPolarHBondContact CB-O 3.2Å; T230-I288 WeakPolarHBondContact CG2-O 3.38Å; T230-I288 PolarHBondContact OG1-O 3.05Å
231	A	98.1	Very high	95.6	Very high	4 Å²	4	50.4 Å²	50.4	3%	0.033	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	150.9	174.9	0	0	0	0	0	110.5	S182 Y244 S245 V291	S182-A231 VanDerWaalsContact OG-CA 3.32Å; S182-A231 WeakPolarHBondContact OG-CA 3.34Å; A231-Y244 CarbonylContact O-C 3.58Å; A231-Y244 WeakPolarHBondContact O-CA 3.21Å; A231-Y244 WeakPolarHBondContact O-CB 3.18Å; A231-S245 PolarHBondContact N-OG 3.01Å; A231-S245 PolarHBondContact O-N 2.94Å; A231-V291 HydrophobicContact CB-CB 4.37Å; A231-V291 HydrophobicContact CB-CG2 4.24Å
232	A	98.2	Very high	95.8	Very high	7 Å²	7	47.3 Å²	47.3	6%	0.058	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	141.1	173.6	0	0	0	0	0	111.7	S182 L193 A195 I200 V243	S182-A232 WeakPolarHBondContact CB-O 3.42Å; S182-A232 PolarHBondContact OG-N 2.93Å; L193-A232 HydrophobicContact CD1-CB 4.01Å; A195-A232 HydrophobicContact CB-CB 3.68Å; I200-A232 HydrophobicContact CD1-CB 4.09Å; A232-V243 CarbonylContact C-O 3.55Å; A232-V243 VanDerWaalsContact CA-O 3.25Å; A232-V243 WeakPolarHBondContact CA-O 3.38Å
233	E	98.1	Very high	96.1	Very high	26 Å²	26	43.5 Å²	43.5	12%	0.121	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	139.8	179.9	-159.3	174	-130.5	0	0	112.2	S184 F242 V243 K292 F293	S184-E233 WeakPolarHBondContact OG-CG 3.3Å; E233-F242 WeakPolarHBondContact O-CA 3.45Å; E233-F242 WeakPolarHBondContact O-CB 3.26Å; E233-V243 PolarHBondContact N-O 2.99Å; E233-V243 PolarHBondContact O-N 2.85Å; E233-K292 VanDerWaalsContact OE1-CD 3.27Å; E233-K292 WeakPolarHBondContact OE1-CD 3.34Å; E233-K292 IonicContact OE1-NZ 2.99Å; E233-K292 PolarHBondContact OE1-NZ 3.12Å; E233-K292 VanDerWaalsContact OE2-CA 3.23Å; E233-K292 WeakPolarHBondContact OE2-CA 3.32Å; E233-F293 HydrophobicContact CB-CD2 4.35Å; E233-F293 HydrophobicContact CG-CD2 4.39Å; E233-F293 PolarHBondContact OE2-N 2.95Å
234	C	98.1	Very high	96.4	Very high	7 Å²	7	35.7 Å²	35.7	5%	0.047	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	147.4	170.2	-68.1	0	0	0	0	110.8	S184 L193 F293	S184-C234 PolarHBondContact OG-N 2.82Å; L193-C234 WeakPolarHBondContact CD2-SG 3.34Å; C234-F293 WeakPolarHBondContact O-CD2 3.44Å
235	H	98.1	Very high	96.7	Very high	7 Å²	7	29.6 Å²	29.6	3%	0.032	17%	0.166	C	C	.	.			trans	-67.3	135.5	172.1	-174.9	-67.8	0	0	0	110.5	N237 Q238 V241 F293 G297	H235-N237 VanDerWaalsContact C-N 3.28Å; H235-N237 PolarHBondContact ND1-N 3.35Å; H235-N237 PolarHBondContact O-N 2.94Å; H235-N237 VanDerWaalsContact O-N 3.16Å; H235-Q238 HydrophobicContact CB-CB 4.15Å; H235-Q238 PolarHBondContact ND1-N 3.01Å; H235-V241 HydrophobicContact CB-CB 3.85Å; H235-V241 HydrophobicContact CB-CG1 4.06Å; H235-V241 VanDerWaalsContact CB-O 3.25Å; H235-V241 WeakPolarHBondContact CB-O 3.29Å; H235-V241 PolarHBondContact N-O 2.9Å; H235-F293 HydrophobicContact CB-CE2 4.1Å; H235-F293 HydrophobicContact CB-CZ 4.11Å; H235-F293 AromaticContact CD2-CE1 3.87Å; H235-G297 PolarHBondContact NE2-O 2.8Å
236	P	95.8	Very high	96.9	Very high	55 Å²	55	26.6 Å²	26.6	36%	0.357	15%	0.15	S	C	.	.	S	Bend	trans	-62	-29.8	-172.1	21.4	-33.8	0	0	0	114.4	S187 F293	S187-P236 WeakPolarHBondContact CB-O 3.34Å; P236-F293 HydrophobicContact CG-CB 4.24Å
237	N	95.7	Very high	97.1	Very high	109 Å²	109	23.6 Å²	23.6	58%	0.583	13%	0.133	S	C	*	.	S	Bend	trans	-117.8	-16.9	-178.7	-46.1	95.8	0	0	0	115.9	H235	H235-N237 VanDerWaalsContact C-N 3.28Å; H235-N237 PolarHBondContact ND1-N 3.35Å; H235-N237 PolarHBondContact O-N 2.94Å; H235-N237 VanDerWaalsContact O-N 3.16Å
238	Q	96.4	Very high	97	Very high	95 Å²	95	25.6 Å²	25.6	44%	0.444	14%	0.141	S	C	.	.			trans	-112.2	102.2	-171	-66	-174.6	12.3	0	0	108.2	H235 N240 V241	H235-Q238 HydrophobicContact CB-CB 4.15Å; H235-Q238 PolarHBondContact ND1-N 3.01Å; Q238-N240 PolarHBondContact O-N 2.88Å; Q238-V241 HydrophobicContact CB-CB 4.13Å; Q238-V241 HydrophobicContact CB-CG2 4.09Å; Q238-V241 PolarHBondContact O-N 2.87Å; Q238-V241 VanDerWaalsContact O-N 3.08Å; Q238-V241 VanDerWaalsContact OE1-CG2 3.29Å
239	C	96.5	Very high	96.9	Very high	50 Å²	50	24.7 Å²	24.7	34%	0.338	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-17.6	-170.4	61.2	0	0	0	0	115.2	N186 S187 D188	N186-C239 PolarHBondContact ND2-O 2.99Å; N186-C239 WeakPolarHBondContact OD1-CA 3.16Å; N186-C239 PolarHBondContact OD1-O 2.89Å; S187-C239 VanDerWaalsContact OG-CA 3.25Å; S187-C239 WeakPolarHBondContact OG-CA 3.49Å; S187-C239 PolarHBondContact OG-N 3.06Å; S187-C239 VanDerWaalsContact OG-N 3.16Å; D188-C239 HydrophobicContact CB-CB 4.11Å
240	N	96.1	Very high	96.8	Very high	11 Å²	11	25 Å²	25	6%	0.059	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-9.8	180	59	-67.8	0	0	0	113.7	Q238 D255 M256 R257	Q238-N240 PolarHBondContact O-N 2.88Å; N240-D255 PolarHBondContact ND2-OD1 2.91Å; N240-D255 PolarHBondContact ND2-OD2 2.76Å; N240-D255 WeakPolarHBondContact O-CA 3.4Å; N240-M256 HydrophobicContact CB-CB 4.37Å; N240-M256 WeakPolarHBondContact O-CB 3.38Å; N240-M256 WeakPolarHBondContact O-CG 3.4Å; N240-M256 PolarHBondContact O-N 3.13Å; N240-R257 HydrophobicContact CB-CG 3.74Å; N240-R257 VanDerWaalsContact CG-CZ 3.41Å; N240-R257 PolarHBondContact OD1-NH1 2.8Å; N240-R257 PolarHBondContact OD1-NH2 3.14Å
241	V	97	Very high	96.8	Very high	8 Å²	8	24.5 Å²	24.5	5%	0.048	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.4	-173.6	179	0	0	0	0	110.3	H235 Q238 L253 C254	H235-V241 HydrophobicContact CB-CB 3.85Å; H235-V241 HydrophobicContact CB-CG1 4.06Å; H235-V241 VanDerWaalsContact CB-O 3.25Å; H235-V241 WeakPolarHBondContact CB-O 3.29Å; H235-V241 PolarHBondContact N-O 2.9Å; Q238-V241 HydrophobicContact CB-CB 4.13Å; Q238-V241 HydrophobicContact CB-CG2 4.09Å; Q238-V241 PolarHBondContact O-N 2.87Å; Q238-V241 VanDerWaalsContact O-N 3.08Å; Q238-V241 VanDerWaalsContact OE1-CG2 3.29Å; V241-L253 HydrophobicContact CG1-CD1 4.07Å; V241-L253 HydrophobicContact CG1-CD2 3.78Å; V241-L253 HydrophobicContact CG1-CG 3.82Å; V241-C254 WeakPolarHBondContact CA-O 3.22Å
242	F	97.8	Very high	96.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	162	169.5	71	-80.9	0	0	0	109.9	L193 I200 I214 V215 E233 Y244 C254 M256 C262	L193-F242 HydrophobicContact CD2-CB 3.88Å; L193-F242 HydrophobicContact CD2-CD2 4.18Å; L193-F242 HydrophobicContact CD2-CG 4.17Å; I200-F242 HydrophobicContact CD1-CD2 4.46Å; I200-F242 HydrophobicContact CD1-CE2 3.88Å; I214-F242 HydrophobicContact CD1-CD1 4.45Å; I214-F242 HydrophobicContact CD1-CE1 3.79Å; I214-F242 HydrophobicContact CD1-CE2 4.24Å; I214-F242 HydrophobicContact CD1-CZ 3.67Å; I214-F242 HydrophobicContact CG1-CZ 4.4Å; V215-F242 HydrophobicContact CG2-CE2 4.02Å; V215-F242 HydrophobicContact CG2-CZ 3.76Å; E233-F242 WeakPolarHBondContact O-CA 3.45Å; E233-F242 WeakPolarHBondContact O-CB 3.26Å; F242-Y244 HydrophobicContact CE2-CD1 4.13Å; F242-C254 HydrophobicContact CD1-CB 3.96Å; F242-C254 HydrophobicContact CD2-CB 4.5Å; F242-C254 HydrophobicContact CE1-CB 3.38Å; F242-C254 HydrophobicContact CE2-CB 3.96Å; F242-C254 HydrophobicContact CG-CB 4.5Å; F242-C254 HydrophobicContact CZ-CB 3.38Å; F242-C254 PolarHBondContact N-O 3Å; F242-C254 PolarHBondContact O-N 3.27Å; F242-M256 HydrophobicContact CD1-CE 3.35Å; F242-M256 HydrophobicContact CD1-CG 4.04Å; F242-M256 HydrophobicContact CE1-CE 3.7Å; F242-M256 HydrophobicContact CE1-CG 3.89Å; F242-M256 HydrophobicContact CG-CE 4.18Å; F242-C262 HydrophobicContact CE1-CB 4.2Å; F242-C262 HydrophobicContact CZ-CB 3.9Å
243	V	97.9	Very high	96.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	153	174.3	-68.5	0	0	0	0	110.4	A232 E233 I251 R252 L253 V291 F293 M300	A232-V243 CarbonylContact C-O 3.55Å; A232-V243 VanDerWaalsContact CA-O 3.25Å; A232-V243 WeakPolarHBondContact CA-O 3.38Å; E233-V243 PolarHBondContact N-O 2.99Å; E233-V243 PolarHBondContact O-N 2.85Å; V243-I251 HydrophobicContact CB-CG2 4.21Å; V243-I251 HydrophobicContact CG1-CG2 4.46Å; V243-R252 CarbonylContact C-O 3.53Å; V243-R252 VanDerWaalsContact CA-O 3.25Å; V243-R252 WeakPolarHBondContact CA-O 3.35Å; V243-L253 HydrophobicContact CG1-CB 3.74Å; V243-L253 HydrophobicContact CG1-CD1 4.1Å; V243-L253 HydrophobicContact CG1-CG 3.9Å; V243-V291 HydrophobicContact CG2-CG1 3.63Å; V243-F293 HydrophobicContact CB-CE2 4.37Å; V243-F293 HydrophobicContact CB-CZ 4.18Å; V243-F293 HydrophobicContact CG1-CE1 4.23Å; V243-F293 HydrophobicContact CG1-CE2 4.19Å; V243-F293 HydrophobicContact CG1-CZ 3.52Å; V243-F293 HydrophobicContact CG2-CD2 4.28Å; V243-F293 HydrophobicContact CG2-CE2 3.53Å; V243-F293 HydrophobicContact CG2-CZ 3.72Å; V243-M300 HydrophobicContact CG1-SD 4.19Å
244	Y	98	Very high	96.6	Very high	8 Å²	8	24.7 Å²	24.7	3%	0.031	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	144.5	162.1	69.3	-85.1	0	0	0	110.9	I200 V215 I229 A231 F242 R252	I200-Y244 HydrophobicContact CD1-CD1 3.87Å; I200-Y244 HydrophobicContact CD1-CG 3.82Å; V215-Y244 HydrophobicContact CG1-CE1 4.22Å; V215-Y244 HydrophobicContact CG2-CE1 4.33Å; I229-Y244 HydrophobicContact CD1-CD2 4.2Å; I229-Y244 HydrophobicContact CD1-CE2 4.4Å; I229-Y244 HydrophobicContact CG1-CD2 3.96Å; I229-Y244 HydrophobicContact CG1-CE2 4.23Å; I229-Y244 HydrophobicContact CG2-CD2 4.23Å; A231-Y244 CarbonylContact O-C 3.58Å; A231-Y244 WeakPolarHBondContact O-CA 3.21Å; A231-Y244 WeakPolarHBondContact O-CB 3.18Å; F242-Y244 HydrophobicContact CE2-CD1 4.13Å; Y244-R252 HydrophobicContact CD1-CB 4.08Å; Y244-R252 HydrophobicContact CE1-CB 3.62Å; Y244-R252 HydrophobicContact CE2-CB 4.23Å; Y244-R252 VanDerWaalsContact CZ-CD 3.44Å; Y244-R252 PolarHBondContact N-O 3.5Å; Y244-R252 PolarHBondContact O-N 3.2Å; Y244-R252 WeakPolarHBondContact OH-CD 3.38Å
245	S	97.8	Very high	96.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	165.3	172.9	57.5	0	0	0	0	112	I229 T230 A231 T250 I288 V291	I229-S245 WeakPolarHBondContact CA-O 3.37Å; T230-S245 PolarHBondContact N-O 2.62Å; T230-S245 PolarHBondContact OG1-O 2.95Å; T230-S245 PolarHBondContact OG1-OG 2.81Å; A231-S245 PolarHBondContact N-OG 3.01Å; A231-S245 PolarHBondContact O-N 2.94Å; S245-T250 VanDerWaalsContact CA-O 3.32Å; S245-T250 WeakPolarHBondContact CA-O 3.36Å; S245-I288 WeakPolarHBondContact OG-CG2 3.48Å; S245-V291 VanDerWaalsContact OG-CG2 3.27Å; S245-V291 WeakPolarHBondContact OG-CG2 3.47Å
246	S	96.3	Very high	96.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	168.9	177.8	75.4	0	0	0	0	114.5	E227 V228 K248 G249 T250 I288	E227-S246 WeakPolarHBondContact OE1-CB 3.1Å; E227-S246 PolarHBondContact OE1-OG 3.22Å; V228-S246 CarbonylContact O-C 3.28Å; V228-S246 WeakPolarHBondContact O-CA 3.3Å; S246-K248 PolarHBondContact O-N 3.05Å; S246-K248 PolarHBondContact OG-N 3.12Å; S246-K248 VanDerWaalsContact OG-N 3.13Å; S246-G249 PolarHBondContact O-N 2.84Å; S246-T250 PolarHBondContact N-O 3.31Å; S246-T250 PolarHBondContact OG-N 3.43Å; S246-T250 PolarHBondContact OG-OG1 2.9Å; S246-I288 PolarHBondContact O-N 2.78Å
247	S	95.8	Very high	96.3	Very high	28 Å²	28	33.9 Å²	33.9	20%	0.196	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-10.2	169.5	61.2	0	0	0	0	114.5	V228 S287	V228-S247 PolarHBondContact N-OG 3.05Å; V228-S247 VanDerWaalsContact N-OG 3.16Å; V228-S247 PolarHBondContact O-N 3.4Å; S247-S287 WeakPolarHBondContact CA-OG 3.4Å; S247-S287 WeakPolarHBondContact O-CA 3.3Å; S247-S287 WeakPolarHBondContact O-CB 3.46Å
248	K	93.9	Very high	96.1	Very high	73 Å²	73	33.8 Å²	33.8	32%	0.317	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	7	176.9	-69.1	-165.7	-176.9	173.7	0	113.6	T226 E227 S246 T250	T226-K248 VanDerWaalsContact CB-NZ 3.33Å; T226-K248 WeakPolarHBondContact O-CE 3.44Å; T226-K248 PolarHBondContact OG1-NZ 3.05Å; E227-K248 HydrophobicContact CB-CD 4.35Å; E227-K248 HydrophobicContact CB-CG 4.44Å; E227-K248 HydrophobicContact CG-CD 4.45Å; E227-K248 HydrophobicContact CG-CG 4.26Å; S246-K248 PolarHBondContact O-N 3.05Å; S246-K248 PolarHBondContact OG-N 3.12Å; S246-K248 VanDerWaalsContact OG-N 3.13Å; K248-T250 VanDerWaalsContact C-N 3.33Å; K248-T250 HydrophobicContact CB-CG2 4.42Å; K248-T250 PolarHBondContact O-N 3.14Å
249	G	94.3	Very high	95.8	Very high	19 Å²	19	31.4 Å²	31.4	20%	0.196	17%	0.168	C	C	.	.	S	Bend	trans	77.2	19	-179.9	0	0	0	0	0	114.8	S246 S286	S246-G249 PolarHBondContact O-N 2.84Å; G249-S286 WeakPolarHBondContact CA-O 3.28Å; G249-S286 PolarHBondContact N-O 3.11Å
250	T	95.3	Very high	95.3	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.043	18%	0.182	C	C	.	.			trans	-101.5	148.7	179	65.6	0	0	0	0	110.7	E227 S245 S246 K248 R252 F268	E227-T250 PolarHBondContact OE1-OG1 3.49Å; S245-T250 VanDerWaalsContact CA-O 3.32Å; S245-T250 WeakPolarHBondContact CA-O 3.36Å; S246-T250 PolarHBondContact N-O 3.31Å; S246-T250 PolarHBondContact OG-N 3.43Å; S246-T250 PolarHBondContact OG-OG1 2.9Å; K248-T250 VanDerWaalsContact C-N 3.33Å; K248-T250 HydrophobicContact CB-CG2 4.42Å; K248-T250 PolarHBondContact O-N 3.14Å; T250-R252 PolarHBondContact OG1-NH1 2.93Å; T250-F268 HydrophobicContact CG2-CE2 4.09Å; T250-F268 HydrophobicContact CG2-CZ 3.64Å
251	I	97.6	Very high	94.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.3	175	-48.1	130.5	0	0	0	108.7	V243 F269 I288 M300 T302 W311	V243-I251 HydrophobicContact CB-CG2 4.21Å; V243-I251 HydrophobicContact CG1-CG2 4.46Å; I251-F269 HydrophobicContact CB-CB 4.13Å; I251-F269 HydrophobicContact CD1-CB 4.11Å; I251-F269 PolarHBondContact N-O 3.27Å; I251-F269 PolarHBondContact O-N 3.34Å; I251-I288 HydrophobicContact CD1-CD1 4.03Å; I251-I288 HydrophobicContact CG1-CD1 3.56Å; I251-M300 HydrophobicContact CB-CE 4.17Å; I251-M300 HydrophobicContact CD1-CE 3.91Å; I251-M300 HydrophobicContact CG2-CE 3.86Å; I251-M300 HydrophobicContact CG2-SD 3.91Å; I251-T302 HydrophobicContact CD1-CG2 3.4Å; I251-T302 VanDerWaalsContact CD1-CG2 3.4Å; I251-T302 HydrophobicContact CG1-CG2 3.83Å; I251-W311 HydrophobicContact CD1-CD2 4.34Å; I251-W311 HydrophobicContact CD1-CZ2 4.09Å
252	R	97	Very high	94.5	Very high	30 Å²	30	36.2 Å²	36.2	11%	0.113	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.7	178.3	-74	173.7	-169.7	98.8	-10.6	108.9	E227 V243 Y244 T250 H265 F268	E227-R252 VanDerWaalsContact CD-NH2 3.31Å; E227-R252 IonicContact OE1-CZ 3.25Å; E227-R252 VanDerWaalsContact OE1-CZ 3.28Å; E227-R252 IonicContact OE1-NH1 3.8Å; E227-R252 PolarHBondContact OE1-NH1 3.34Å; E227-R252 IonicContact OE1-NH2 2.81Å; E227-R252 PolarHBondContact OE1-NH2 3.01Å; E227-R252 IonicContact OE2-CZ 3.94Å; E227-R252 IonicContact OE2-NH1 3.72Å; E227-R252 IonicContact OE2-NH2 3.55Å; E227-R252 PolarHBondContact OE2-NH2 2.71Å; V243-R252 CarbonylContact C-O 3.53Å; V243-R252 VanDerWaalsContact CA-O 3.25Å; V243-R252 WeakPolarHBondContact CA-O 3.35Å; Y244-R252 HydrophobicContact CD1-CB 4.08Å; Y244-R252 HydrophobicContact CE1-CB 3.62Å; Y244-R252 HydrophobicContact CE2-CB 4.23Å; Y244-R252 VanDerWaalsContact CZ-CD 3.44Å; Y244-R252 PolarHBondContact N-O 3.5Å; Y244-R252 PolarHBondContact O-N 3.2Å; Y244-R252 WeakPolarHBondContact OH-CD 3.38Å; T250-R252 PolarHBondContact OG1-NH1 2.93Å; R252-H265 HydrophobicContact CB-CB 3.85Å; R252-H265 HydrophobicContact CG-CB 3.94Å; R252-F268 HydrophobicContact CG-CD2 3.78Å; R252-F268 HydrophobicContact CG-CE2 4.15Å
253	L	97.2	Very high	93.5	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.063	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.4	172.2	-178.1	160.2	0	0	0	108.5	V241 V243 T266 K267 F269 L313	V241-L253 HydrophobicContact CG1-CD1 4.07Å; V241-L253 HydrophobicContact CG1-CD2 3.78Å; V241-L253 HydrophobicContact CG1-CG 3.82Å; V243-L253 HydrophobicContact CG1-CB 3.74Å; V243-L253 HydrophobicContact CG1-CD1 4.1Å; V243-L253 HydrophobicContact CG1-CG 3.9Å; L253-T266 PolarHBondContact O-N 2.66Å; L253-K267 HydrophobicContact CB-CB 4.08Å; L253-K267 PolarHBondContact N-O 3.28Å; L253-K267 PolarHBondContact O-N 2.82Å; L253-K267 VanDerWaalsContact O-N 3.13Å; L253-F269 HydrophobicContact CB-CE2 3.92Å; L253-F269 HydrophobicContact CD1-CE2 4.27Å; L253-F269 HydrophobicContact CD1-CZ 4.49Å; L253-L313 HydrophobicContact CD1-CD2 4Å
254	C	96.9	Very high	92.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140.4	-176.5	-65.9	0	0	0	0	110.2	V241 F242 C262	V241-C254 WeakPolarHBondContact CA-O 3.22Å; F242-C254 HydrophobicContact CD1-CB 3.96Å; F242-C254 HydrophobicContact CD2-CB 4.5Å; F242-C254 HydrophobicContact CE1-CB 3.38Å; F242-C254 HydrophobicContact CE2-CB 3.96Å; F242-C254 HydrophobicContact CG-CB 4.5Å; F242-C254 HydrophobicContact CZ-CB 3.38Å; F242-C254 PolarHBondContact N-O 3Å; F242-C254 PolarHBondContact O-N 3.27Å; C254-C262 HydrophobicContact CB-CB 3.99Å
255	D	95.8	Very high	92	Very high	39 Å²	39	49.4 Å²	49.4	21%	0.209	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	110.6	170.8	-172.7	-17.6	0	0	0	110.2	N240 R257 T258 T266	N240-D255 PolarHBondContact ND2-OD1 2.91Å; N240-D255 PolarHBondContact ND2-OD2 2.76Å; N240-D255 WeakPolarHBondContact O-CA 3.4Å; D255-R257 PolarHBondContact O-N 2.86Å; D255-R257 VanDerWaalsContact O-N 3.09Å; D255-R257 VanDerWaalsContact OD1-CB 3.3Å; D255-R257 WeakPolarHBondContact OD1-CB 3.49Å; D255-R257 PolarHBondContact OD1-N 3.3Å; D255-T258 WeakPolarHBondContact O-CB 3.39Å; D255-T258 PolarHBondContact O-N 3.07Å; D255-T266 WeakPolarHBondContact CB-OG1 3.45Å; D255-T266 PolarHBondContact N-OG1 3.44Å
256	M	95.1	Very high	91.6	Very high	43 Å²	43	52.7 Å²	52.7	21%	0.212	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-12.3	179.4	-61.3	-177.9	-175.2	0	0	113.9	L202 I214 N240 F242	L202-M256 HydrophobicContact CD1-CE 4.35Å; I214-M256 HydrophobicContact CD1-CE 3.77Å; N240-M256 HydrophobicContact CB-CB 4.37Å; N240-M256 WeakPolarHBondContact O-CB 3.38Å; N240-M256 WeakPolarHBondContact O-CG 3.4Å; N240-M256 PolarHBondContact O-N 3.13Å; F242-M256 HydrophobicContact CD1-CE 3.35Å; F242-M256 HydrophobicContact CD1-CG 4.04Å; F242-M256 HydrophobicContact CE1-CE 3.7Å; F242-M256 HydrophobicContact CE1-CG 3.89Å; F242-M256 HydrophobicContact CG-CE 4.18Å
257	R	94.3	Very high	91.5	Very high	180 Å²	180	55.4 Å²	55.4	68%	0.679	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-25.4	174.9	-66.3	171.6	179.9	159.6	4	112.7	N240 D255	N240-R257 HydrophobicContact CB-CG 3.74Å; N240-R257 VanDerWaalsContact CG-CZ 3.41Å; N240-R257 PolarHBondContact OD1-NH1 2.8Å; N240-R257 PolarHBondContact OD1-NH2 3.14Å; D255-R257 PolarHBondContact O-N 2.86Å; D255-R257 VanDerWaalsContact O-N 3.09Å; D255-R257 VanDerWaalsContact OD1-CB 3.3Å; D255-R257 WeakPolarHBondContact OD1-CB 3.49Å; D255-R257 PolarHBondContact OD1-N 3.3Å
258	T	91.7	Very high	91.5	Very high	107 Å²	107	56.9 Å²	56.9	66%	0.656	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-42.1	-175.6	-57.4	0	0	0	0	110.9	D255	D255-T258 WeakPolarHBondContact O-CB 3.39Å; D255-T258 PolarHBondContact O-N 3.07Å
259	A	88.9	Confident	91.6	Very high	44 Å²	44	53.4 Å²	53.4	36%	0.364	30%	0.296	S	S	.	.			trans	-152.2	151.3	179.5	0	0	0	0	0	110.6	L261	A259-L261 VanDerWaalsContact C-N 3.29Å; A259-L261 WeakPolarHBondContact CB-O 3.36Å
260	A	86.1	Confident	91.6	Very high	76 Å²	76	57.3 Å²	57.3	63%	0.628	31%	0.309	S	S	*	.	S	Bend	trans	-64.9	-37.1	175.9	0	0	0	0	0	111.6	F212	F212-A260 VanDerWaalsContact CE1-O 3.27Å; F212-A260 WeakPolarHBondContact CE1-O 3.21Å
261	L	89.1	Confident	91.2	Very high	89 Å²	89	60.6 Å²	60.6	47%	0.466	32%	0.324	S	S	.	.	S	Bend	trans	-96.9	130.2	168.8	-58.1	177	0	0	0	107.3	F212 A259 D263	F212-L261 HydrophobicContact CE2-CD2 4.45Å; F212-L261 HydrophobicContact CZ-CD2 3.94Å; A259-L261 VanDerWaalsContact C-N 3.29Å; A259-L261 WeakPolarHBondContact CB-O 3.36Å; L261-D263 PolarHBondContact O-N 2.73Å
262	C	87.6	Confident	90.5	Very high	5 Å²	5	65.6 Å²	65.6	3%	0.034	36%	0.357	C	S	.	.			trans	-90.9	41.8	177.4	-62.6	0	0	0	0	110.3	I214 V215 F242 C254 S264	I214-C262 WeakPolarHBondContact O-CA 3.3Å; I214-C262 WeakPolarHBondContact O-CB 3.23Å; I214-C262 PolarHBondContact O-N 2.85Å; V215-C262 HydrophobicContact CG2-CB 3.9Å; F242-C262 HydrophobicContact CE1-CB 4.2Å; F242-C262 HydrophobicContact CZ-CB 3.9Å; C254-C262 HydrophobicContact CB-CB 3.99Å; C262-S264 VanDerWaalsContact C-N 3.34Å
263	D	77.1	Confident	89.6	Confident	125 Å²	125	68.8 Å²	68.8	67%	0.668	37%	0.373	S	S	*	.			trans	-70	-30.9	179.8	57.8	-14.1	0	0	0	112.3	L261	L261-D263 PolarHBondContact O-N 2.73Å
264	S	78.5	Confident	88.6	Confident	92 Å²	92	72.7 Å²	72.7	64%	0.643	39%	0.394	S	S	*	.	S	Bend	trans	-96.7	126.1	165.4	-171.1	0	0	0	0	110.7	C262	C262-S264 VanDerWaalsContact C-N 3.34Å
265	H	86.1	Confident	87.8	Confident	69 Å²	69	78 Å²	78	32%	0.319	43%	0.428	S	S	.	.			trans	-79.1	139.4	172.3	55.3	76.8	0	0	0	110.5	R252 F268	R252-H265 HydrophobicContact CB-CB 3.85Å; R252-H265 HydrophobicContact CG-CB 3.94Å; H265-F268 AromaticContact CE1-CD2 3.9Å; H265-F268 AromaticContact CE1-CG 3.95Å
266	T	88.4	Confident	86.8	Confident	69 Å²	69	81 Å²	81	42%	0.423	45%	0.453	S	S	.	.	S	Bend	trans	-74.3	-39.1	179	-51.7	0	0	0	0	111.3	L253 D255	L253-T266 PolarHBondContact O-N 2.66Å; D255-T266 WeakPolarHBondContact CB-OG1 3.45Å; D255-T266 PolarHBondContact N-OG1 3.44Å
267	K	94.4	Very high	85.8	Confident	57 Å²	57	82 Å²	82	25%	0.248	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	145.5	179.4	-70.9	-174.2	175.9	176.1	0	110.8	L253 F269 L313 E316	L253-K267 HydrophobicContact CB-CB 4.08Å; L253-K267 PolarHBondContact N-O 3.28Å; L253-K267 PolarHBondContact O-N 2.82Å; L253-K267 VanDerWaalsContact O-N 3.13Å; K267-F269 HydrophobicContact CB-CD2 4.49Å; K267-F269 HydrophobicContact CB-CE2 3.73Å; K267-F269 HydrophobicContact CB-CZ 4.24Å; K267-F269 HydrophobicContact CD-CE2 4.46Å; K267-F269 HydrophobicContact CD-CZ 4.19Å; K267-L313 PolarHBondContact NZ-O 2.82Å; K267-E316 WeakPolarHBondContact CA-OE1 3.13Å; K267-E316 HydrophobicContact CB-CG 4.3Å; K267-E316 WeakPolarHBondContact CB-OE1 3.33Å; K267-E316 HydrophobicContact CD-CG 4.36Å; K267-E316 HydrophobicContact CG-CG 4.49Å; K267-E316 WeakPolarHBondContact CG-OE1 3.38Å
268	F	96.1	Very high	85.1	Confident	59 Å²	59	81.3 Å²	81.3	26%	0.259	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	112.7	-176.7	-173.8	-107.9	0	0	0	110	T250 R252 H265 E270 E316	T250-F268 HydrophobicContact CG2-CE2 4.09Å; T250-F268 HydrophobicContact CG2-CZ 3.64Å; R252-F268 HydrophobicContact CG-CD2 3.78Å; R252-F268 HydrophobicContact CG-CE2 4.15Å; H265-F268 AromaticContact CE1-CD2 3.9Å; H265-F268 AromaticContact CE1-CG 3.95Å; F268-E270 HydrophobicContact CD1-CB 4.08Å; F268-E270 HydrophobicContact CE1-CB 3.57Å; F268-E270 HydrophobicContact CE1-CG 4.25Å; F268-E270 WeakPolarHBondContact CE1-OE2 3.42Å; F268-E270 HydrophobicContact CZ-CB 4.24Å; F268-E316 PolarHBondContact N-OE1 3.18Å; F268-E316 WeakPolarHBondContact O-CB 3.44Å
269	F	96.6	Very high	84.8	Confident	0 Å²	0	79 Å²	79	0%	0	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.2	-179.2	-55.6	-107.1	0	0	0	108.9	I251 L253 K267 M300 W311 L313 E316	I251-F269 HydrophobicContact CB-CB 4.13Å; I251-F269 HydrophobicContact CD1-CB 4.11Å; I251-F269 PolarHBondContact N-O 3.27Å; I251-F269 PolarHBondContact O-N 3.34Å; L253-F269 HydrophobicContact CB-CE2 3.92Å; L253-F269 HydrophobicContact CD1-CE2 4.27Å; L253-F269 HydrophobicContact CD1-CZ 4.49Å; K267-F269 HydrophobicContact CB-CD2 4.49Å; K267-F269 HydrophobicContact CB-CE2 3.73Å; K267-F269 HydrophobicContact CB-CZ 4.24Å; K267-F269 HydrophobicContact CD-CE2 4.46Å; K267-F269 HydrophobicContact CD-CZ 4.19Å; F269-M300 HydrophobicContact CB-CE 3.9Å; F269-M300 HydrophobicContact CD1-CE 3.42Å; F269-M300 VanDerWaalsContact CD1-CE 3.42Å; F269-M300 HydrophobicContact CD2-CE 3.55Å; F269-M300 HydrophobicContact CE1-CE 3.76Å; F269-M300 HydrophobicContact CE2-CE 3.88Å; F269-M300 HydrophobicContact CG-CE 3.33Å; F269-M300 HydrophobicContact CZ-CE 3.98Å; F269-W311 HydrophobicContact CB-CD2 4.42Å; F269-W311 HydrophobicContact CB-CE3 3.97Å; F269-W311 HydrophobicContact CB-CH2 4.44Å; F269-W311 HydrophobicContact CB-CZ3 3.96Å; F269-W311 HydrophobicContact CD1-CB 4.39Å; F269-W311 HydrophobicContact CD1-CD2 4.41Å; F269-W311 AromaticContact CD1-CE3 3.83Å; F269-W311 HydrophobicContact CD1-CE3 3.83Å; F269-W311 HydrophobicContact CD1-CZ3 4.47Å; F269-W311 HydrophobicContact CG-CE3 4.39Å; F269-L313 HydrophobicContact CZ-CD2 4.22Å; F269-E316 WeakPolarHBondContact CA-O 3.3Å; F269-E316 HydrophobicContact CD1-CB 4.26Å; F269-E316 HydrophobicContact CD1-CG 4.21Å; F269-E316 HydrophobicContact CE1-CB 4.43Å; F269-E316 HydrophobicContact CE1-CG 3.93Å; F269-E316 HydrophobicContact CE2-CG 4.44Å; F269-E316 HydrophobicContact CZ-CG 4.05Å
270	E	93.3	Very high	84.6	Confident	100 Å²	100	83.6 Å²	83.6	47%	0.467	46%	0.462	S	S	.	.			trans	-145.6	139.6	179.6	-177.2	179.5	-141.8	0	0	108.2	F268 E316 N317	F268-E270 HydrophobicContact CD1-CB 4.08Å; F268-E270 HydrophobicContact CE1-CB 3.57Å; F268-E270 HydrophobicContact CE1-CG 4.25Å; F268-E270 WeakPolarHBondContact CE1-OE2 3.42Å; F268-E270 HydrophobicContact CZ-CB 4.24Å; E270-E316 PolarHBondContact N-O 3.17Å; E270-N317 CarbonylContact O-C 3.57Å
271	E	88.3	Confident	84.9	Confident	76 Å²	76	82.1 Å²	82.1	36%	0.355	44%	0.441	S	S	.	.			trans	-97.4	120.3	171.6	-174.7	172.8	-162.7	0	0	108.1	E273 K309 W311	E271-E273 PolarHBondContact O-N 2.63Å; E271-E273 VanDerWaalsContact O-N 3.08Å; E271-K309 WeakPolarHBondContact OE2-CE 3.23Å; E271-K309 IonicContact OE2-NZ 3.72Å; E271-K309 PolarHBondContact OE2-NZ 3.25Å; E271-W311 HydrophobicContact CB-CH2 4.11Å
272	P	82.3	Confident	84.9	Confident	106 Å²	106	78.2 Å²	78.2	69%	0.688	42%	0.421	S	S	*	.			trans	-61	115.1	177	-21.3	31.4	0	0	0	110.6	N317	P272-N317 WeakPolarHBondContact CD-O 3.5Å
273	E	77.4	Confident	85	Confident	97 Å²	97	82.8 Å²	82.8	45%	0.453	44%	0.442	S	S	.	.			trans	-77.9	134.7	171.5	-73.3	-164	154.5	0	0	110.7	E271 P275	E271-E273 PolarHBondContact O-N 2.63Å; E271-E273 VanDerWaalsContact O-N 3.08Å; E273-P275 WeakPolarHBondContact O-CD 3.42Å
274	D	76.2	Confident	85.7	Confident	93 Å²	93	78.4 Å²	78.4	50%	0.497	42%	0.418	S	S	.	.			trans	-67.3	120.3	170.8	-176.1	-20.5	0	0	0	108.9	S276 S277 R278	D274-S276 PolarHBondContact O-N 3.05Å; D274-S276 WeakPolarHBondContact OD1-CB 3.4Å; D274-S276 PolarHBondContact OD1-N 3.4Å; D274-S276 PolarHBondContact OD1-OG 3.21Å; D274-S276 PolarHBondContact OD2-OG 2.99Å; D274-S276 VanDerWaalsContact OD2-OG 3.06Å; D274-S277 PolarHBondContact O-N 2.85Å; D274-S277 PolarHBondContact O-OG 2.98Å; D274-R278 PolarHBondContact O-N 3.01Å
275	P	79.8	Confident	86.5	Confident	111 Å²	111	75 Å²	75	72%	0.721	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-54.5	-27.5	179.3	-26	34.6	0	0	0	113.8	E273 S277 R278	E273-P275 WeakPolarHBondContact O-CD 3.42Å; P275-S277 VanDerWaalsContact C-N 3.3Å; P275-R278 PolarHBondContact O-N 3.49Å
276	S	76.4	Confident	86.8	Confident	104 Å²	104	72.8 Å²	72.8	73%	0.727	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-73.3	-21.7	177.8	70.6	0	0	0	0	113.6	D274	D274-S276 PolarHBondContact O-N 3.05Å; D274-S276 WeakPolarHBondContact OD1-CB 3.4Å; D274-S276 PolarHBondContact OD1-N 3.4Å; D274-S276 PolarHBondContact OD1-OG 3.21Å; D274-S276 PolarHBondContact OD2-OG 2.99Å; D274-S276 VanDerWaalsContact OD2-OG 3.06Å
277	S	73.9	Confident	87.2	Confident	63 Å²	63	71.2 Å²	71.2	44%	0.441	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-94.6	-6	178.2	73.1	0	0	0	0	113.6	D274 P275 S279	D274-S277 PolarHBondContact O-N 2.85Å; D274-S277 PolarHBondContact O-OG 2.98Å; P275-S277 VanDerWaalsContact C-N 3.3Å; S277-S279 PolarHBondContact O-N 3.27Å
278	R	79.5	Confident	87.4	Confident	166 Å²	166	68.8 Å²	68.8	63%	0.626	37%	0.366	S	S	*	.			trans	-72.1	119.3	-176.2	-162.6	172.9	179.9	169.8	1.2	110.3	D274 P275	D274-R278 PolarHBondContact O-N 3.01Å; P275-R278 PolarHBondContact O-N 3.49Å
279	S	84	Confident	87.5	Confident	59 Å²	59	66.9 Å²	66.9	41%	0.413	36%	0.36	S	S	.	.			trans	-116.4	167.2	174.8	72.1	0	0	0	0	109.7	S277 F281 S282	S277-S279 PolarHBondContact O-N 3.27Å; S279-F281 PolarHBondContact O-N 2.89Å; S279-F281 PolarHBondContact OG-N 2.81Å; S279-S282 PolarHBondContact N-OG 2.97Å; S279-S282 VanDerWaalsContact O-CB 3.28Å; S279-S282 WeakPolarHBondContact O-CB 3.37Å; S279-S282 PolarHBondContact O-N 2.83Å; S279-S282 PolarHBondContact O-OG 3.2Å; S279-S282 PolarHBondContact OG-N 3.44Å; S279-S282 PolarHBondContact OG-OG 2.84Å; S279-S282 VanDerWaalsContact OG-OG 3.1Å
280	F	86.6	Confident	87.5	Confident	140 Å²	140	67.3 Å²	67.3	61%	0.614	36%	0.363	S	S	*	.	H	α-helix	trans	-52.3	-40.5	170	170.6	-102.4	0	0	0	111.9	S282 I284 Y337	F280-S282 VanDerWaalsContact C-N 3.27Å; F280-S282 PolarHBondContact O-N 3.38Å; F280-I284 HydrophobicContact CD1-CD1 4.33Å; F280-I284 HydrophobicContact CE1-CD1 3.68Å; F280-I284 HydrophobicContact CZ-CD1 3.98Å; F280-Y337 HydrophobicContact CE1-CE2 4.38Å
281	F	91.3	Very high	87.8	Confident	44 Å²	44	62.6 Å²	62.6	19%	0.193	34%	0.341	C	S	.	.	H	α-helix	trans	-73.8	-15.8	-179.7	-63.2	-69	0	0	0	113.8	S279 E283 I284 I285 L333 C334 Y337 I342	S279-F281 PolarHBondContact O-N 2.89Å; S279-F281 PolarHBondContact OG-N 2.81Å; F281-E283 VanDerWaalsContact C-N 3.32Å; F281-E283 PolarHBondContact O-N 2.73Å; F281-I284 HydrophobicContact CD1-CD1 4.2Å; F281-I284 PolarHBondContact O-N 3Å; F281-I285 VanDerWaalsContact O-CG1 3.31Å; F281-I285 WeakPolarHBondContact O-CG1 3.31Å; F281-I285 PolarHBondContact O-N 2.86Å; F281-L333 HydrophobicContact CB-CD1 4.14Å; F281-L333 HydrophobicContact CD1-CB 4.38Å; F281-L333 HydrophobicContact CD2-CB 4.35Å; F281-L333 HydrophobicContact CG-CB 4.22Å; F281-L333 HydrophobicContact CG-CD1 4.5Å; F281-C334 HydrophobicContact CZ-CB 4.2Å; F281-Y337 HydrophobicContact CE1-CD2 4.3Å; F281-Y337 AromaticContact CE1-CG 4Å; F281-Y337 HydrophobicContact CE1-CG 4Å; F281-I342 HydrophobicContact CD1-CD1 4.02Å
282	S	89.6	Confident	88.3	Confident	8 Å²	8	60.3 Å²	60.3	6%	0.056	33%	0.33	C	S	.	.	H	α-helix	trans	-58.9	-44.9	-177.3	-64.7	0	0	0	0	111.3	S279 F280 I284 S286	S279-S282 PolarHBondContact N-OG 2.97Å; S279-S282 VanDerWaalsContact O-CB 3.28Å; S279-S282 WeakPolarHBondContact O-CB 3.37Å; S279-S282 PolarHBondContact O-N 2.83Å; S279-S282 PolarHBondContact O-OG 3.2Å; S279-S282 PolarHBondContact OG-N 3.44Å; S279-S282 PolarHBondContact OG-OG 2.84Å; S279-S282 VanDerWaalsContact OG-OG 3.1Å; F280-S282 VanDerWaalsContact C-N 3.27Å; F280-S282 PolarHBondContact O-N 3.38Å; S282-I284 PolarHBondContact O-N 3.29Å; S282-S286 WeakPolarHBondContact O-CB 3.46Å; S282-S286 PolarHBondContact O-N 2.85Å; S282-S286 PolarHBondContact O-OG 2.89Å
283	E	88.8	Confident	89	Confident	100 Å²	100	56 Å²	56	47%	0.467	30%	0.3	S	S	.	.	H	α-helix	trans	-64.7	-41.4	178.5	-171	165.3	-176.3	0	0	111.7	F281 S286	F281-E283 VanDerWaalsContact C-N 3.32Å; F281-E283 PolarHBondContact O-N 2.73Å; E283-S286 PolarHBondContact O-N 2.92Å; E283-S286 PolarHBondContact O-OG 3.46Å
284	I	93.2	Very high	90	Very high	34 Å²	34	51.3 Å²	51.3	17%	0.174	28%	0.278	C	S	.	.	H	α-helix	trans	-64	-49.5	179.9	-56.3	175.9	0	0	0	111	F280 F281 S282 S286 S287 Y337 I342 F343	F280-I284 HydrophobicContact CD1-CD1 4.33Å; F280-I284 HydrophobicContact CE1-CD1 3.68Å; F280-I284 HydrophobicContact CZ-CD1 3.98Å; F281-I284 HydrophobicContact CD1-CD1 4.2Å; F281-I284 PolarHBondContact O-N 3Å; S282-I284 PolarHBondContact O-N 3.29Å; I284-S286 VanDerWaalsContact C-N 3.31Å; I284-S286 PolarHBondContact O-N 2.86Å; I284-S287 WeakPolarHBondContact O-CB 3.41Å; I284-S287 PolarHBondContact O-N 2.74Å; I284-Y337 HydrophobicContact CD1-CD2 3.8Å; I284-Y337 HydrophobicContact CD1-CE2 3.69Å; I284-I342 HydrophobicContact CB-CD1 4.43Å; I284-I342 HydrophobicContact CG2-CD1 3.8Å; I284-I342 HydrophobicContact CG2-CG1 3.89Å; I284-I342 HydrophobicContact CG2-CG2 4.09Å; I284-F343 HydrophobicContact CG2-CD1 4.34Å; I284-F343 HydrophobicContact CG2-CE1 3.84Å
285	I	94.3	Very high	90.9	Very high	21 Å²	21	51.2 Å²	51.2	11%	0.108	27%	0.274	C	S	.	.	H	α-helix	trans	-77.9	-17.2	-177.3	70.5	-172.7	0	0	0	113.1	F281 S287 D304 Y305 L306 L333 I342	F281-I285 VanDerWaalsContact O-CG1 3.31Å; F281-I285 WeakPolarHBondContact O-CG1 3.31Å; F281-I285 PolarHBondContact O-N 2.86Å; I285-S287 VanDerWaalsContact C-N 3.26Å; I285-D304 WeakPolarHBondContact O-CB 3.5Å; I285-Y305 HydrophobicContact CG2-CD1 4.02Å; I285-Y305 HydrophobicContact CG2-CG 4.4Å; I285-Y305 PolarHBondContact O-N 3.22Å; I285-L306 HydrophobicContact CD1-CD1 3.95Å; I285-L333 HydrophobicContact CD1-CD1 4.32Å; I285-L333 HydrophobicContact CG2-CD1 4.47Å; I285-L333 HydrophobicContact CG2-CD2 3.92Å; I285-I342 HydrophobicContact CG2-CD1 3.89Å; I285-I342 HydrophobicContact CG2-CG1 4.14Å
286	S	93.4	Very high	91.6	Very high	21 Å²	21	49.1 Å²	49.1	15%	0.147	26%	0.263	C	S	.	.	H	α-helix	trans	-72.4	-20	174.5	73.1	0	0	0	0	112.9	G249 S282 E283 I284 I288	G249-S286 WeakPolarHBondContact CA-O 3.28Å; G249-S286 PolarHBondContact N-O 3.11Å; S282-S286 WeakPolarHBondContact O-CB 3.46Å; S282-S286 PolarHBondContact O-N 2.85Å; S282-S286 PolarHBondContact O-OG 2.89Å; E283-S286 PolarHBondContact O-N 2.92Å; E283-S286 PolarHBondContact O-OG 3.46Å; I284-S286 VanDerWaalsContact C-N 3.31Å; I284-S286 PolarHBondContact O-N 2.86Å; S286-I288 PolarHBondContact O-N 3.01Å
287	S	96.4	Very high	92.6	Very high	37 Å²	37	44.4 Å²	44.4	26%	0.259	23%	0.231	S	C	.	.			trans	-53.9	121	177.4	-177.3	0	0	0	0	111	S247 I284 I285	S247-S287 WeakPolarHBondContact CA-OG 3.4Å; S247-S287 WeakPolarHBondContact O-CA 3.3Å; S247-S287 WeakPolarHBondContact O-CB 3.46Å; I284-S287 WeakPolarHBondContact O-CB 3.41Å; I284-S287 PolarHBondContact O-N 2.74Å; I285-S287 VanDerWaalsContact C-N 3.26Å
288	I	98.1	Very high	93.6	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.031	23%	0.233	C	C	.	.			trans	-80.4	126	178.4	-68.2	159	0	0	0	108	T230 S245 S246 I251 S286 D290 V291 T302	T230-I288 WeakPolarHBondContact CB-O 3.2Å; T230-I288 WeakPolarHBondContact CG2-O 3.38Å; T230-I288 PolarHBondContact OG1-O 3.05Å; S245-I288 WeakPolarHBondContact OG-CG2 3.48Å; S246-I288 PolarHBondContact O-N 2.78Å; I251-I288 HydrophobicContact CD1-CD1 4.03Å; I251-I288 HydrophobicContact CG1-CD1 3.56Å; S286-I288 PolarHBondContact O-N 3.01Å; I288-D290 VanDerWaalsContact CG2-O 3.31Å; I288-D290 WeakPolarHBondContact CG2-O 3.41Å; I288-V291 HydrophobicContact CG2-CG2 3.73Å; I288-T302 HydrophobicContact CD1-CG2 4.44Å
289	S	97.5	Very high	94.5	Very high	19 Å²	19	41.6 Å²	41.6	13%	0.133	21%	0.21	C	C	.	.			trans	-91.8	-28.1	179.6	56.2	0	0	0	0	113.7	R303 F346	S289-R303 PolarHBondContact N-O 3.45Å; S289-R303 WeakPolarHBondContact OG-CG 3.37Å; S289-R303 PolarHBondContact OG-O 2.77Å; S289-F346 PolarHBondContact OG-O 2.61Å
290	D	98.3	Very high	95.2	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.043	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	147.2	-178.8	-166.1	26.2	0	0	0	111.3	I288 T302 R303 E347 C348	I288-D290 VanDerWaalsContact CG2-O 3.31Å; I288-D290 WeakPolarHBondContact CG2-O 3.41Å; D290-T302 WeakPolarHBondContact O-CA 3.41Å; D290-R303 HydrophobicContact CB-CB 4.38Å; D290-R303 PolarHBondContact O-N 3.3Å; D290-E347 WeakPolarHBondContact OD2-CA 3.32Å; D290-C348 PolarHBondContact OD2-N 2.96Å
291	V	98.3	Very high	95.7	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	129.2	176.9	179.6	0	0	0	0	108.8	A231 V243 S245 I288 M301 T302	A231-V291 HydrophobicContact CB-CB 4.37Å; A231-V291 HydrophobicContact CB-CG2 4.24Å; V243-V291 HydrophobicContact CG2-CG1 3.63Å; S245-V291 VanDerWaalsContact OG-CG2 3.27Å; S245-V291 WeakPolarHBondContact OG-CG2 3.47Å; I288-V291 HydrophobicContact CG2-CG2 3.73Å; V291-M301 CarbonylContact C-O 3.58Å; V291-M301 WeakPolarHBondContact CA-O 3.15Å; V291-T302 HydrophobicContact CG1-CG2 4.41Å; V291-T302 HydrophobicContact CG2-CG2 4.03Å
292	K	98.1	Very high	96.1	Very high	28 Å²	28	30.1 Å²	30.1	12%	0.122	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	117.6	-177.7	-69.9	-61.5	-176.7	173.2	0	113.8	E233 M300 M301 C348 W350	E233-K292 VanDerWaalsContact OE1-CD 3.27Å; E233-K292 WeakPolarHBondContact OE1-CD 3.34Å; E233-K292 IonicContact OE1-NZ 2.99Å; E233-K292 PolarHBondContact OE1-NZ 3.12Å; E233-K292 VanDerWaalsContact OE2-CA 3.23Å; E233-K292 WeakPolarHBondContact OE2-CA 3.32Å; K292-M300 CarbonylContact O-C 3.59Å; K292-M300 WeakPolarHBondContact O-CA 3.45Å; K292-M301 HydrophobicContact CB-CE 4.16Å; K292-M301 PolarHBondContact N-O 2.97Å; K292-M301 PolarHBondContact O-N 2.84Å; K292-C348 WeakPolarHBondContact CG-O 3.5Å; K292-W350 PolarHBondContact O-NE1 2.87Å
293	F	98.3	Very high	96.5	Very high	14 Å²	14	29.7 Å²	29.7	6%	0.061	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	141.6	165.8	-76.7	-71.4	0	0	0	110.7	E233 C234 H235 P236 V243 M300 L313 W350	E233-F293 HydrophobicContact CB-CD2 4.35Å; E233-F293 HydrophobicContact CG-CD2 4.39Å; E233-F293 PolarHBondContact OE2-N 2.95Å; C234-F293 WeakPolarHBondContact O-CD2 3.44Å; H235-F293 HydrophobicContact CB-CE2 4.1Å; H235-F293 HydrophobicContact CB-CZ 4.11Å; H235-F293 AromaticContact CD2-CE1 3.87Å; P236-F293 HydrophobicContact CG-CB 4.24Å; V243-F293 HydrophobicContact CB-CE2 4.37Å; V243-F293 HydrophobicContact CB-CZ 4.18Å; V243-F293 HydrophobicContact CG1-CE1 4.23Å; V243-F293 HydrophobicContact CG1-CE2 4.19Å; V243-F293 HydrophobicContact CG1-CZ 3.52Å; V243-F293 HydrophobicContact CG2-CD2 4.28Å; V243-F293 HydrophobicContact CG2-CE2 3.53Å; V243-F293 HydrophobicContact CG2-CZ 3.72Å; F293-M300 HydrophobicContact CD1-CB 4.06Å; F293-M300 HydrophobicContact CE1-CB 4.34Å; F293-L313 HydrophobicContact CD1-CD1 4.39Å; F293-L313 HydrophobicContact CE1-CD1 3.86Å; F293-L313 HydrophobicContact CE1-CD2 3.95Å; F293-L313 HydrophobicContact CE1-CG 4.5Å; F293-W350 VanDerWaalsContact O-CD1 3.23Å; F293-W350 PolarHBondContact O-NE1 3.27Å
294	S	97.5	Very high	96.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.			trans	-64.7	151.8	165	61.2	0	0	0	0	110.3	S296 G297 R298 Y299 D354	S294-S296 PolarHBondContact O-N 2.77Å; S294-S296 PolarHBondContact OG-OG 3.22Å; S294-G297 WeakPolarHBondContact O-CA 3.18Å; S294-G297 PolarHBondContact O-N 3.5Å; S294-R298 PolarHBondContact OG-N 3.14Å; S294-Y299 WeakPolarHBondContact CB-O 3.37Å; S294-Y299 PolarHBondContact N-O 2.95Å; S294-Y299 WeakPolarHBondContact OG-CA 3.17Å; S294-Y299 PolarHBondContact OG-N 3.12Å; S294-Y299 PolarHBondContact OG-O 3.4Å; S294-D354 WeakPolarHBondContact CB-OD2 3.3Å
295	H	95.7	Very high	97	Very high	90 Å²	90	24.4 Å²	24.4	42%	0.417	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-30	179.2	-59.4	90	0	0	0	112.3	G297 N351 D354	H295-G297 PolarHBondContact O-N 2.69Å; H295-N351 PolarHBondContact CE1-O 2.75Å; H295-N351 PolarHBondContact ND1-O 3.44Å; H295-D354 WeakPolarHBondContact CB-OD1 3.37Å; H295-D354 IonicContact CE1-OD1 3.49Å; H295-D354 IonicContact CG-OD1 2.73Å; H295-D354 VanDerWaalsContact N-CG 3.33Å; H295-D354 PolarHBondContact N-OD1 2.85Å; H295-D354 PolarHBondContact N-OD2 3.22Å; H295-D354 VanDerWaalsContact N-OD2 3.12Å; H295-D354 IonicContact ND1-OD1 2.63Å; H295-D354 PolarHBondContact ND1-OD1 3.4Å
296	S	95.3	Very high	97.2	Very high	68 Å²	68	23.8 Å²	23.8	48%	0.476	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-14.9	172.7	58.5	0	0	0	0	114.4	S294 R298 D354	S294-S296 PolarHBondContact O-N 2.77Å; S294-S296 PolarHBondContact OG-OG 3.22Å; S296-R298 PolarHBondContact O-N 3.5Å; S296-R298 VanDerWaalsContact O-N 3.16Å; S296-D354 WeakPolarHBondContact CB-OD2 3.42Å; S296-D354 PolarHBondContact N-OD2 2.67Å; S296-D354 PolarHBondContact OG-OD2 2.93Å
297	G	95.9	Very high	97.3	Very high	5 Å²	5	23 Å²	23	5%	0.052	12%	0.117	C	C	.	.	S	Bend	trans	70.6	-1.1	-175.5	0	0	0	0	0	114.6	H235 S294 H295 L313	H235-G297 PolarHBondContact NE2-O 2.8Å; S294-G297 WeakPolarHBondContact O-CA 3.18Å; S294-G297 PolarHBondContact O-N 3.5Å; H295-G297 PolarHBondContact O-N 2.69Å; G297-L313 WeakPolarHBondContact O-CD1 3.45Å
298	R	96.4	Very high	97.4	Very high	129 Å²	129	21.3 Å²	21.3	49%	0.487	10%	0.104	S	C	.	.	S	Bend	trans	-80.7	-34.5	-178.3	178.2	173.2	174.8	-156.6	-4.5	113	S294 S296 D312 L313	S294-R298 PolarHBondContact OG-N 3.14Å; S296-R298 PolarHBondContact O-N 3.5Å; S296-R298 VanDerWaalsContact O-N 3.16Å; R298-D312 IonicContact CZ-OD2 3.38Å; R298-D312 IonicContact NE-OD2 2.71Å; R298-D312 PolarHBondContact NE-OD2 3.47Å; R298-D312 IonicContact NH2-OD2 2.79Å; R298-D312 PolarHBondContact NH2-OD2 3.11Å; R298-L313 WeakPolarHBondContact O-CG 3.26Å; R298-L313 PolarHBondContact O-N 2.93Å
299	Y	97.9	Very high	97.4	Very high	40 Å²	40	22.8 Å²	22.8	16%	0.157	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	158.1	-177.5	-54.7	-81.4	0	0	0	110.8	S294 V310 W311 D312	S294-Y299 WeakPolarHBondContact CB-O 3.37Å; S294-Y299 PolarHBondContact N-O 2.95Å; S294-Y299 WeakPolarHBondContact OG-CA 3.17Å; S294-Y299 PolarHBondContact OG-N 3.12Å; S294-Y299 PolarHBondContact OG-O 3.4Å; Y299-V310 HydrophobicContact CD1-CG1 4.13Å; Y299-V310 HydrophobicContact CG-CG1 4.3Å; Y299-W311 CarbonylContact C-O 3.48Å; Y299-W311 WeakPolarHBondContact CA-O 3.03Å; Y299-W311 WeakPolarHBondContact CB-O 3.2Å; Y299-D312 HydrophobicContact CD1-CB 4.01Å; Y299-D312 HydrophobicContact CE1-CB 3.96Å
300	M	97.6	Very high	97.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.8	163.5	64.9	-179.4	-176	0	0	109.5	V243 I251 F269 K292 F293 V310 W311 L313	V243-M300 HydrophobicContact CG1-SD 4.19Å; I251-M300 HydrophobicContact CB-CE 4.17Å; I251-M300 HydrophobicContact CD1-CE 3.91Å; I251-M300 HydrophobicContact CG2-CE 3.86Å; I251-M300 HydrophobicContact CG2-SD 3.91Å; F269-M300 HydrophobicContact CB-CE 3.9Å; F269-M300 HydrophobicContact CD1-CE 3.42Å; F269-M300 VanDerWaalsContact CD1-CE 3.42Å; F269-M300 HydrophobicContact CD2-CE 3.55Å; F269-M300 HydrophobicContact CE1-CE 3.76Å; F269-M300 HydrophobicContact CE2-CE 3.88Å; F269-M300 HydrophobicContact CG-CE 3.33Å; F269-M300 HydrophobicContact CZ-CE 3.98Å; K292-M300 CarbonylContact O-C 3.59Å; K292-M300 WeakPolarHBondContact O-CA 3.45Å; F293-M300 HydrophobicContact CD1-CB 4.06Å; F293-M300 HydrophobicContact CE1-CB 4.34Å; M300-V310 WeakPolarHBondContact O-CA 3.41Å; M300-W311 HydrophobicContact CE-CB 3.6Å; M300-W311 HydrophobicContact CE-CD2 4.36Å; M300-W311 HydrophobicContact CE-CG 3.8Å; M300-W311 HydrophobicContact CG-CB 3.74Å; M300-W311 HydrophobicContact CG-CG 4.38Å; M300-W311 PolarHBondContact N-O 2.69Å; M300-W311 PolarHBondContact O-N 3.42Å; M300-L313 HydrophobicContact CB-CD2 4.23Å; M300-L313 HydrophobicContact CG-CD2 3.89Å; M300-L313 HydrophobicContact SD-CD2 3.82Å
301	M	98.2	Very high	97.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	141.7	176.7	171.8	171.1	59.2	0	0	109.3	V291 K292 V308 K309 C348 W350 I357	V291-M301 CarbonylContact C-O 3.58Å; V291-M301 WeakPolarHBondContact CA-O 3.15Å; K292-M301 HydrophobicContact CB-CE 4.16Å; K292-M301 PolarHBondContact N-O 2.97Å; K292-M301 PolarHBondContact O-N 2.84Å; M301-V308 HydrophobicContact CG-CG1 3.52Å; M301-V308 HydrophobicContact SD-CG1 3.46Å; M301-V308 WeakPolarHBondContact SD-CG1 3.39Å; M301-K309 CarbonylContact C-O 3.57Å; M301-K309 VanDerWaalsContact CA-O 3.31Å; M301-K309 WeakPolarHBondContact CA-O 3.45Å; M301-C348 HydrophobicContact CE-CB 3.64Å; M301-C348 VanDerWaalsContact CE-SG 3.55Å; M301-C348 HydrophobicContact CG-CB 4.5Å; M301-C348 HydrophobicContact SD-CB 3.93Å; M301-W350 HydrophobicContact CB-CH2 4.28Å; M301-W350 HydrophobicContact CB-CZ2 3.4Å; M301-W350 HydrophobicContact CE-CD2 4.2Å; M301-W350 HydrophobicContact CE-CG 4.18Å; M301-I357 HydrophobicContact CE-CG2 4.24Å; M301-I357 HydrophobicContact SD-CB 4.16Å; M301-I357 HydrophobicContact SD-CD1 3.84Å; M301-I357 HydrophobicContact SD-CG1 3.8Å; M301-I357 HydrophobicContact SD-CG2 3.31Å; M301-I357 WeakPolarHBondContact SD-CG2 3.37Å
302	T	98.3	Very high	97.4	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.012	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.1	174.7	58.8	0	0	0	0	110.4	I251 I288 D290 V291 V308 K309 W311	I251-T302 HydrophobicContact CD1-CG2 3.4Å; I251-T302 VanDerWaalsContact CD1-CG2 3.4Å; I251-T302 HydrophobicContact CG1-CG2 3.83Å; I288-T302 HydrophobicContact CD1-CG2 4.44Å; D290-T302 WeakPolarHBondContact O-CA 3.41Å; V291-T302 HydrophobicContact CG1-CG2 4.41Å; V291-T302 HydrophobicContact CG2-CG2 4.03Å; T302-V308 WeakPolarHBondContact O-CA 3.42Å; T302-K309 PolarHBondContact N-O 2.78Å; T302-K309 PolarHBondContact O-N 2.87Å; T302-W311 PolarHBondContact OG1-NE1 3.36Å; T302-W311 VanDerWaalsContact OG1-NE1 3.08Å
303	R	98.1	Very high	97.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	113.4	173.6	177.1	65.6	-159.9	-109.8	1.2	109.9	S289 D290 Y305 S307 V308 F346 C348 T359 G360	S289-R303 PolarHBondContact N-O 3.45Å; S289-R303 WeakPolarHBondContact OG-CG 3.37Å; S289-R303 PolarHBondContact OG-O 2.77Å; D290-R303 HydrophobicContact CB-CB 4.38Å; D290-R303 PolarHBondContact O-N 3.3Å; R303-Y305 PolarHBondContact NH2-O 3Å; R303-S307 WeakPolarHBondContact CD-O 3.39Å; R303-V308 HydrophobicContact CB-CG2 4.5Å; R303-V308 HydrophobicContact CG-CG2 4.49Å; R303-F346 HydrophobicContact CG-CB 4.1Å; R303-F346 WeakPolarHBondContact CG-O 3.28Å; R303-C348 HydrophobicContact CB-CB 4.14Å; R303-T359 PolarHBondContact NH1-OG1 3.34Å; R303-G360 PolarHBondContact NH1-O 3.27Å
304	D	97.1	Very high	97.2	Very high	14 Å²	14	27.1 Å²	27.1	8%	0.075	13%	0.134	C	C	.	.			trans	-95.5	-174.7	164	68.8	39.5	0	0	0	109.6	I285 L306 S307 K309	I285-D304 WeakPolarHBondContact O-CB 3.5Å; D304-L306 PolarHBondContact O-N 3.32Å; D304-L306 PolarHBondContact OD1-N 3.3Å; D304-L306 VanDerWaalsContact OD1-N 3.14Å; D304-S307 PolarHBondContact N-O 3.03Å; D304-S307 WeakPolarHBondContact OD1-CA 3.15Å; D304-S307 WeakPolarHBondContact OD1-CB 3.23Å; D304-S307 PolarHBondContact OD1-N 3.26Å; D304-S307 PolarHBondContact OD1-OG 3.12Å; D304-S307 PolarHBondContact OD2-OG 2.79Å; D304-K309 VanDerWaalsContact OD2-CE 3.22Å; D304-K309 WeakPolarHBondContact OD2-CE 3.43Å; D304-K309 IonicContact OD2-NZ 2.8Å
305	Y	97.2	Very high	97.1	Very high	9 Å²	9	30.1 Å²	30.1	4%	0.035	15%	0.148	C	C	.	.	S	Bend	trans	-59.7	-52.2	-174.5	-171.1	-112.7	0	0	0	111.9	I285 R303 H326 L333 L336 C341 I342 F346 Y362	I285-Y305 HydrophobicContact CG2-CD1 4.02Å; I285-Y305 HydrophobicContact CG2-CG 4.4Å; I285-Y305 PolarHBondContact O-N 3.22Å; R303-Y305 PolarHBondContact NH2-O 3Å; Y305-H326 PolarHBondContact O-NE2 3.15Å; Y305-L333 HydrophobicContact CD1-CD2 4.19Å; Y305-L333 HydrophobicContact CE1-CD2 4.02Å; Y305-L336 HydrophobicContact CE1-CD1 4.22Å; Y305-C341 WeakPolarHBondContact CE2-O 3.43Å; Y305-C341 PolarHBondContact OH-O 3.26Å; Y305-I342 HydrophobicContact CD1-CG1 4.29Å; Y305-I342 WeakPolarHBondContact CD2-O 3.47Å; Y305-I342 HydrophobicContact CE1-CG1 4.19Å; Y305-F346 HydrophobicContact CE2-CE2 4.21Å; Y305-Y362 HydrophobicContact CE2-CE2 4.45Å; Y305-Y362 WeakPolarHBondContact CE2-OH 3.5Å; Y305-Y362 WeakPolarHBondContact OH-CE2 3.26Å; Y305-Y362 PolarHBondContact OH-OH 3.35Å
306	L	96.8	Very high	97.1	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.042	15%	0.145	C	C	.	.	S	Bend	trans	-92.9	-21.5	-171.1	-65.1	-179.7	0	0	0	114.2	I285 D304 V325 L329 R330	I285-L306 HydrophobicContact CD1-CD1 3.95Å; D304-L306 PolarHBondContact O-N 3.32Å; D304-L306 PolarHBondContact OD1-N 3.3Å; D304-L306 VanDerWaalsContact OD1-N 3.14Å; L306-V325 WeakPolarHBondContact O-CB 3.36Å; L306-V325 PolarHBondContact O-N 3.44Å; L306-L329 HydrophobicContact CD2-CB 4.48Å; L306-R330 HydrophobicContact CD1-CB 4.46Å; L306-R330 HydrophobicContact CD1-CG 4.45Å
307	S	97.1	Very high	97	Very high	5 Å²	5	30.9 Å²	30.9	4%	0.035	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	155.7	-164.8	84.2	0	0	0	0	114	R303 D304 K309 Y323	R303-S307 WeakPolarHBondContact CD-O 3.39Å; D304-S307 PolarHBondContact N-O 3.03Å; D304-S307 WeakPolarHBondContact OD1-CA 3.15Å; D304-S307 WeakPolarHBondContact OD1-CB 3.23Å; D304-S307 PolarHBondContact OD1-N 3.26Å; D304-S307 PolarHBondContact OD1-OG 3.12Å; D304-S307 PolarHBondContact OD2-OG 2.79Å; S307-K309 VanDerWaalsContact OG-CE 3.31Å; S307-K309 WeakPolarHBondContact OG-CE 3.4Å; S307-Y323 CarbonylContact C-O 3.55Å; S307-Y323 VanDerWaalsContact CA-O 3.24Å; S307-Y323 WeakPolarHBondContact CA-O 3.42Å; S307-Y323 WeakPolarHBondContact CB-O 3.38Å
308	V	98.1	Very high	97	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.4	166.1	174.9	0	0	0	0	108.4	M301 T302 R303 Y323 V325 I357 T359	M301-V308 HydrophobicContact CG-CG1 3.52Å; M301-V308 HydrophobicContact SD-CG1 3.46Å; M301-V308 WeakPolarHBondContact SD-CG1 3.39Å; T302-V308 WeakPolarHBondContact O-CA 3.42Å; R303-V308 HydrophobicContact CB-CG2 4.5Å; R303-V308 HydrophobicContact CG-CG2 4.49Å; V308-Y323 PolarHBondContact N-O 3.44Å; V308-Y323 PolarHBondContact O-N 3.36Å; V308-V325 HydrophobicContact CG2-CG2 3.82Å; V308-I357 HydrophobicContact CG1-CG2 4.05Å; V308-T359 HydrophobicContact CG2-CG2 3.74Å
309	K	97.9	Very high	97	Very high	37 Å²	37	31.9 Å²	31.9	16%	0.161	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.5	-178.6	-60.7	175.5	-174.4	-177.1	0	110.2	E271 M301 T302 D304 S307 P319 E321 T322	E271-K309 WeakPolarHBondContact OE2-CE 3.23Å; E271-K309 IonicContact OE2-NZ 3.72Å; E271-K309 PolarHBondContact OE2-NZ 3.25Å; M301-K309 CarbonylContact C-O 3.57Å; M301-K309 VanDerWaalsContact CA-O 3.31Å; M301-K309 WeakPolarHBondContact CA-O 3.45Å; T302-K309 PolarHBondContact N-O 2.78Å; T302-K309 PolarHBondContact O-N 2.87Å; D304-K309 VanDerWaalsContact OD2-CE 3.22Å; D304-K309 WeakPolarHBondContact OD2-CE 3.43Å; D304-K309 IonicContact OD2-NZ 2.8Å; S307-K309 VanDerWaalsContact OG-CE 3.31Å; S307-K309 WeakPolarHBondContact OG-CE 3.4Å; K309-P319 HydrophobicContact CB-CB 3.95Å; K309-P319 HydrophobicContact CB-CG 4.41Å; K309-P319 HydrophobicContact CD-CG 4.24Å; K309-P319 HydrophobicContact CG-CB 4.49Å; K309-P319 HydrophobicContact CG-CG 4.43Å; K309-E321 CarbonylContact C-O 3.6Å; K309-E321 WeakPolarHBondContact CA-O 3.36Å; K309-T322 HydrophobicContact CG-CG2 4.06Å
310	V	98.1	Very high	96.9	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.8	173.9	-178.5	0	0	0	0	109	Y299 M300 P319 V320 E321 Y323 W350 I357	Y299-V310 HydrophobicContact CD1-CG1 4.13Å; Y299-V310 HydrophobicContact CG-CG1 4.3Å; M300-V310 WeakPolarHBondContact O-CA 3.41Å; V310-P319 CarbonylContact O-C 3.54Å; V310-P319 WeakPolarHBondContact O-CA 3.4Å; V310-P319 WeakPolarHBondContact O-CB 2.92Å; V310-V320 PolarHBondContact O-N 2.86Å; V310-E321 HydrophobicContact CB-CB 3.91Å; V310-E321 HydrophobicContact CB-CG 4.22Å; V310-E321 HydrophobicContact CG2-CB 4.14Å; V310-E321 PolarHBondContact N-O 2.84Å; V310-E321 PolarHBondContact O-N 2.87Å; V310-Y323 HydrophobicContact CG2-CE2 4.24Å; V310-W350 HydrophobicContact CB-CH2 4.49Å; V310-W350 HydrophobicContact CG1-CH2 3.76Å; V310-W350 HydrophobicContact CG1-CZ2 4.43Å; V310-W350 HydrophobicContact CG2-CH2 3.92Å; V310-I357 HydrophobicContact CG2-CD1 3.49Å; V310-I357 VanDerWaalsContact CG2-CD1 3.49Å
311	W	98.2	Very high	96.9	Very high	5 Å²	5	33.9 Å²	33.9	2%	0.019	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.3	179.3	-57.4	82.8	0	0	0	109.7	I251 F269 E271 Y299 M300 T302 R318 P319	I251-W311 HydrophobicContact CD1-CD2 4.34Å; I251-W311 HydrophobicContact CD1-CZ2 4.09Å; F269-W311 HydrophobicContact CB-CD2 4.42Å; F269-W311 HydrophobicContact CB-CE3 3.97Å; F269-W311 HydrophobicContact CB-CH2 4.44Å; F269-W311 HydrophobicContact CB-CZ3 3.96Å; F269-W311 HydrophobicContact CD1-CB 4.39Å; F269-W311 HydrophobicContact CD1-CD2 4.41Å; F269-W311 AromaticContact CD1-CE3 3.83Å; F269-W311 HydrophobicContact CD1-CE3 3.83Å; F269-W311 HydrophobicContact CD1-CZ3 4.47Å; F269-W311 HydrophobicContact CG-CE3 4.39Å; E271-W311 HydrophobicContact CB-CH2 4.11Å; Y299-W311 CarbonylContact C-O 3.48Å; Y299-W311 WeakPolarHBondContact CA-O 3.03Å; Y299-W311 WeakPolarHBondContact CB-O 3.2Å; M300-W311 HydrophobicContact CE-CB 3.6Å; M300-W311 HydrophobicContact CE-CD2 4.36Å; M300-W311 HydrophobicContact CE-CG 3.8Å; M300-W311 HydrophobicContact CG-CB 3.74Å; M300-W311 HydrophobicContact CG-CG 4.38Å; M300-W311 PolarHBondContact N-O 2.69Å; M300-W311 PolarHBondContact O-N 3.42Å; T302-W311 PolarHBondContact OG1-NE1 3.36Å; T302-W311 VanDerWaalsContact OG1-NE1 3.08Å; W311-R318 VanDerWaalsContact CE3-C 3.47Å; W311-P319 HydrophobicContact CD2-CB 4.04Å; W311-P319 HydrophobicContact CE3-CB 4.35Å; W311-P319 HydrophobicContact CG-CB 4.48Å; W311-P319 HydrophobicContact CZ2-CB 4.28Å; W311-P319 HydrophobicContact CZ2-CG 4.43Å
312	D	97.4	Very high	96.8	Very high	15 Å²	15	36.8 Å²	36.8	8%	0.08	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	131	164.7	-174.6	-44.5	0	0	0	107	R298 Y299 N314 M315 V320	R298-D312 IonicContact CZ-OD2 3.38Å; R298-D312 IonicContact NE-OD2 2.71Å; R298-D312 PolarHBondContact NE-OD2 3.47Å; R298-D312 IonicContact NH2-OD2 2.79Å; R298-D312 PolarHBondContact NH2-OD2 3.11Å; Y299-D312 HydrophobicContact CD1-CB 4.01Å; Y299-D312 HydrophobicContact CE1-CB 3.96Å; D312-N314 PolarHBondContact O-N 2.94Å; D312-N314 WeakPolarHBondContact OD1-CB 3.22Å; D312-N314 PolarHBondContact OD1-N 2.87Å; D312-N314 PolarHBondContact OD1-ND2 3.31Å; D312-M315 HydrophobicContact CB-CB 4.34Å; D312-M315 CarbonylContact O-C 3.45Å; D312-M315 PolarHBondContact O-N 3.2Å; D312-V320 HydrophobicContact CB-CG2 3.67Å
313	L	96.3	Very high	96.8	Very high	17 Å²	17	37.4 Å²	37.4	9%	0.089	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-13	-178.1	-62.2	-177.4	0	0	0	113.5	L253 K267 F269 F293 G297 R298 M300	L253-L313 HydrophobicContact CD1-CD2 4Å; K267-L313 PolarHBondContact NZ-O 2.82Å; F269-L313 HydrophobicContact CZ-CD2 4.22Å; F293-L313 HydrophobicContact CD1-CD1 4.39Å; F293-L313 HydrophobicContact CE1-CD1 3.86Å; F293-L313 HydrophobicContact CE1-CD2 3.95Å; F293-L313 HydrophobicContact CE1-CG 4.5Å; G297-L313 WeakPolarHBondContact O-CD1 3.45Å; R298-L313 WeakPolarHBondContact O-CG 3.26Å; R298-L313 PolarHBondContact O-N 2.93Å; M300-L313 HydrophobicContact CB-CD2 4.23Å; M300-L313 HydrophobicContact CG-CD2 3.89Å; M300-L313 HydrophobicContact SD-CD2 3.82Å
314	N	96.4	Very high	96.7	Very high	125 Å²	125	41.8 Å²	41.8	67%	0.668	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-3.9	174.5	-59.2	-47.7	0	0	0	114	D312	D312-N314 PolarHBondContact O-N 2.94Å; D312-N314 WeakPolarHBondContact OD1-CB 3.22Å; D312-N314 PolarHBondContact OD1-N 2.87Å; D312-N314 PolarHBondContact OD1-ND2 3.31Å
315	M	95.7	Very high	96.7	Very high	63 Å²	63	41.1 Å²	41.1	31%	0.31	20%	0.204	S	C	.	.			trans	-126.5	97.2	-180	-173.5	170	-131.8	0	0	110.5	D312 N317 R318 V320	D312-M315 HydrophobicContact CB-CB 4.34Å; D312-M315 CarbonylContact O-C 3.45Å; D312-M315 PolarHBondContact O-N 3.2Å; M315-N317 VanDerWaalsContact CG-OD1 3.3Å; M315-N317 WeakPolarHBondContact CG-OD1 3.43Å; M315-R318 HydrophobicContact CE-CG 4.38Å; M315-R318 HydrophobicContact SD-CG 4.18Å; M315-V320 HydrophobicContact SD-CG2 4.44Å
316	E	95	Very high	96.6	Very high	74 Å²	74	40.7 Å²	40.7	35%	0.346	20%	0.202	S	C	.	.			trans	-83.9	-26.9	-172.8	-66.4	171.8	111.7	0	0	114.3	K267 F268 F269 E270 R318	K267-E316 WeakPolarHBondContact CA-OE1 3.13Å; K267-E316 HydrophobicContact CB-CG 4.3Å; K267-E316 WeakPolarHBondContact CB-OE1 3.33Å; K267-E316 HydrophobicContact CD-CG 4.36Å; K267-E316 HydrophobicContact CG-CG 4.49Å; K267-E316 WeakPolarHBondContact CG-OE1 3.38Å; F268-E316 PolarHBondContact N-OE1 3.18Å; F268-E316 WeakPolarHBondContact O-CB 3.44Å; F269-E316 WeakPolarHBondContact CA-O 3.3Å; F269-E316 HydrophobicContact CD1-CB 4.26Å; F269-E316 HydrophobicContact CD1-CG 4.21Å; F269-E316 HydrophobicContact CE1-CB 4.43Å; F269-E316 HydrophobicContact CE1-CG 3.93Å; F269-E316 HydrophobicContact CE2-CG 4.44Å; F269-E316 HydrophobicContact CZ-CG 4.05Å; E270-E316 PolarHBondContact N-O 3.17Å; E316-R318 PolarHBondContact O-N 2.89Å
317	N	93.7	Very high	96.4	Very high	100 Å²	100	43.6 Å²	43.6	54%	0.535	22%	0.215	S	C	.	.	S	Bend	trans	-83.4	-10.4	-166.2	63.1	-15.8	0	0	0	115.2	E270 P272 M315	E270-N317 CarbonylContact O-C 3.57Å; P272-N317 WeakPolarHBondContact CD-O 3.5Å; M315-N317 VanDerWaalsContact CG-OD1 3.3Å; M315-N317 WeakPolarHBondContact CG-OD1 3.43Å
318	R	94.9	Very high	96.2	Very high	143 Å²	143	44.5 Å²	44.5	54%	0.54	22%	0.218	S	C	.	.	S	Bend	trans	-167.8	154.6	176.7	62.1	-177.5	-177	-176.2	1	111.1	W311 M315 E316	W311-R318 VanDerWaalsContact CE3-C 3.47Å; M315-R318 HydrophobicContact CE-CG 4.38Å; M315-R318 HydrophobicContact SD-CG 4.18Å; E316-R318 PolarHBondContact O-N 2.89Å
319	P	96.8	Very high	96	Very high	13 Å²	13	44.5 Å²	44.5	8%	0.084	22%	0.218	C	C	.	.			trans	-66.1	149.9	168.3	30.4	-36.4	0	0	0	111	K309 V310 W311 T322	K309-P319 HydrophobicContact CB-CB 3.95Å; K309-P319 HydrophobicContact CB-CG 4.41Å; K309-P319 HydrophobicContact CD-CG 4.24Å; K309-P319 HydrophobicContact CG-CB 4.49Å; K309-P319 HydrophobicContact CG-CG 4.43Å; V310-P319 CarbonylContact O-C 3.54Å; V310-P319 WeakPolarHBondContact O-CA 3.4Å; V310-P319 WeakPolarHBondContact O-CB 2.92Å; W311-P319 HydrophobicContact CD2-CB 4.04Å; W311-P319 HydrophobicContact CE3-CB 4.35Å; W311-P319 HydrophobicContact CG-CB 4.48Å; W311-P319 HydrophobicContact CZ2-CB 4.28Å; W311-P319 HydrophobicContact CZ2-CG 4.43Å; P319-T322 WeakPolarHBondContact CG-OG1 3.31Å
320	V	96.6	Very high	95.8	Very high	63 Å²	63	49.2 Å²	49.2	38%	0.382	24%	0.235	S	C	.	.	S	Bend	trans	-78.1	-29.5	173.2	-179	0	0	0	0	110.8	V310 D312 M315	V310-V320 PolarHBondContact O-N 2.86Å; D312-V320 HydrophobicContact CB-CG2 3.67Å; M315-V320 HydrophobicContact SD-CG2 4.44Å
321	E	96.8	Very high	95.5	Very high	19 Å²	19	54.2 Å²	54.2	9%	0.089	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	136.1	-177.2	-46	175.9	-172.2	0	0	109.8	K309 V310 Y323 R371 R374	K309-E321 CarbonylContact C-O 3.6Å; K309-E321 WeakPolarHBondContact CA-O 3.36Å; V310-E321 HydrophobicContact CB-CB 3.91Å; V310-E321 HydrophobicContact CB-CG 4.22Å; V310-E321 HydrophobicContact CG2-CB 4.14Å; V310-E321 PolarHBondContact N-O 2.84Å; V310-E321 PolarHBondContact O-N 2.87Å; E321-Y323 HydrophobicContact CB-CD2 4.45Å; E321-Y323 HydrophobicContact CB-CE2 3.65Å; E321-Y323 PolarHBondContact OE2-OH 3.06Å; E321-R371 IonicContact OE1-CZ 3.74Å; E321-R371 IonicContact OE1-NE 3.89Å; E321-R371 PolarHBondContact OE1-NE 2.62Å; E321-R371 IonicContact OE1-NH2 3.74Å; E321-R371 PolarHBondContact OE1-NH2 2.67Å; E321-R371 WeakPolarHBondContact OE2-CG 3.38Å; E321-R371 IonicContact OE2-CZ 3.2Å; E321-R371 IonicContact OE2-NE 3.98Å; E321-R371 PolarHBondContact OE2-NE 3.43Å; E321-R371 IonicContact OE2-NH2 3.46Å; E321-R374 VanDerWaalsContact CB-NH1 3.33Å; E321-R374 IonicContact OE2-NH1 2.62Å
322	T	96.8	Very high	95.2	Very high	60 Å²	60	57.3 Å²	57.3	37%	0.368	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.4	175.8	-58.7	0	0	0	0	109	K309 P319	K309-T322 HydrophobicContact CG-CG2 4.06Å; P319-T322 WeakPolarHBondContact CG-OG1 3.31Å
323	Y	97.4	Very high	95	Very high	16 Å²	16	57.1 Å²	57.1	6%	0.063	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.7	-176.8	-64.2	-78.6	0	0	0	109.9	S307 V308 V310 E321 V325 I357 F369 R371 R374	S307-Y323 CarbonylContact C-O 3.55Å; S307-Y323 VanDerWaalsContact CA-O 3.24Å; S307-Y323 WeakPolarHBondContact CA-O 3.42Å; S307-Y323 WeakPolarHBondContact CB-O 3.38Å; V308-Y323 PolarHBondContact N-O 3.44Å; V308-Y323 PolarHBondContact O-N 3.36Å; V310-Y323 HydrophobicContact CG2-CE2 4.24Å; E321-Y323 HydrophobicContact CB-CD2 4.45Å; E321-Y323 HydrophobicContact CB-CE2 3.65Å; E321-Y323 PolarHBondContact OE2-OH 3.06Å; Y323-V325 PolarHBondContact O-N 2.78Å; Y323-I357 HydrophobicContact CD2-CD1 4.39Å; Y323-I357 HydrophobicContact CE2-CD1 4.1Å; Y323-F369 HydrophobicContact CD1-CB 3.73Å; Y323-F369 AromaticContact CD1-CD1 3.43Å; Y323-F369 HydrophobicContact CD1-CD1 3.43Å; Y323-F369 VanDerWaalsContact CD1-CD1 3.43Å; Y323-F369 HydrophobicContact CD1-CE1 4.2Å; Y323-F369 AromaticContact CD1-CG 3.69Å; Y323-F369 HydrophobicContact CD1-CG 3.69Å; Y323-F369 HydrophobicContact CE1-CB 3.87Å; Y323-F369 HydrophobicContact CE1-CD1 4.27Å; Y323-F369 HydrophobicContact CE1-CG 4.34Å; Y323-F369 HydrophobicContact CG-CB 4.07Å; Y323-F369 AromaticContact CG-CD1 3.85Å; Y323-F369 HydrophobicContact CG-CD1 3.85Å; Y323-F369 HydrophobicContact CG-CD2 4.38Å; Y323-F369 HydrophobicContact CG-CE1 4.39Å; Y323-F369 AromaticContact CG-CG 3.84Å; Y323-F369 HydrophobicContact CG-CG 3.84Å; Y323-R371 WeakPolarHBondContact OH-CA 3.41Å; Y323-R374 PolarHBondContact OH-NH1 3Å; Y323-R374 VanDerWaalsContact OH-NH1 3.13Å
324	Q	96.9	Very high	94.9	Very high	91 Å²	91	59.7 Å²	59.7	43%	0.425	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	117.9	177.2	-58.7	-56.8	-21.5	0	0	110	E327	Q324-E327 HydrophobicContact CB-CB 4.27Å; Q324-E327 PolarHBondContact OE1-OE2 2.95Å
325	V	96.8	Very high	94.8	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.006	29%	0.286	C	S	.	.	S	Bend	trans	-80.8	-54.4	-176.3	-177.6	0	0	0	0	110.3	L306 V308 Y323 T359 R367 F369	L306-V325 WeakPolarHBondContact O-CB 3.36Å; L306-V325 PolarHBondContact O-N 3.44Å; V308-V325 HydrophobicContact CG2-CG2 3.82Å; Y323-V325 PolarHBondContact O-N 2.78Å; V325-T359 HydrophobicContact CG1-CG2 4.08Å; V325-T359 HydrophobicContact CG2-CG2 3.82Å; V325-R367 HydrophobicContact CG1-CG 4.17Å; V325-R367 WeakPolarHBondContact O-CD 3.36Å; V325-R367 PolarHBondContact O-NH1 3.21Å; V325-F369 HydrophobicContact CG2-CE2 4.23Å; V325-F369 HydrophobicContact CG2-CZ 4.21Å
326	H	95	Very high	94.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.272	C	S	.	.			trans	-147.1	55.8	-175.3	49.5	-160.5	0	0	0	111.6	Y305 Y328 L329 S361 Y362	Y305-H326 PolarHBondContact O-NE2 3.15Å; H326-Y328 HydrophobicContact CB-CD1 4.34Å; H326-Y328 HydrophobicContact CB-CD2 4.39Å; H326-Y328 HydrophobicContact CB-CE1 3.7Å; H326-Y328 HydrophobicContact CB-CE2 3.74Å; H326-Y328 WeakPolarHBondContact CB-OH 3.38Å; H326-Y328 PolarHBondContact O-N 2.78Å; H326-L329 HydrophobicContact CB-CD1 3.98Å; H326-L329 HydrophobicContact CB-CG 4.17Å; H326-L329 WeakPolarHBondContact O-CB 3.28Å; H326-L329 PolarHBondContact O-N 2.85Å; H326-S361 PolarHBondContact ND1-OG 2.82Å; H326-Y362 AromaticContact CE1-CE2 3.9Å
327	E	93.3	Very high	94.7	Very high	68 Å²	68	54.3 Å²	54.3	32%	0.318	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-53.8	-24.7	178.5	-170	62.5	-170.3	0	0	113.3	Q324 L329 R330	Q324-E327 HydrophobicContact CB-CB 4.27Å; Q324-E327 PolarHBondContact OE1-OE2 2.95Å; E327-L329 PolarHBondContact O-N 2.84Å; E327-L329 VanDerWaalsContact O-N 3.08Å; E327-R330 VanDerWaalsContact O-CB 3.25Å; E327-R330 WeakPolarHBondContact O-CB 3.5Å; E327-R330 PolarHBondContact O-N 2.91Å; E327-R330 WeakPolarHBondContact OE1-CD 3.37Å; E327-R330 IonicContact OE1-CZ 2.8Å; E327-R330 IonicContact OE1-NE 3.59Å; E327-R330 IonicContact OE1-NH1 2.84Å; E327-R330 PolarHBondContact OE1-NH1 3.29Å
328	Y	92.5	Very high	94.7	Very high	25 Å²	25	56.1 Å²	56.1	10%	0.098	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-60.7	-13.8	173.3	55.4	-105.4	0	0	0	114.2	H326 V397 T399 V410 L413	H326-Y328 HydrophobicContact CB-CD1 4.34Å; H326-Y328 HydrophobicContact CB-CD2 4.39Å; H326-Y328 HydrophobicContact CB-CE1 3.7Å; H326-Y328 HydrophobicContact CB-CE2 3.74Å; H326-Y328 WeakPolarHBondContact CB-OH 3.38Å; H326-Y328 PolarHBondContact O-N 2.78Å; Y328-V397 HydrophobicContact CD1-CB 3.92Å; Y328-V397 HydrophobicContact CD1-CG1 4.05Å; Y328-V397 HydrophobicContact CD1-CG2 4.46Å; Y328-V397 HydrophobicContact CD2-CB 4.5Å; Y328-V397 HydrophobicContact CD2-CG1 3.82Å; Y328-V397 HydrophobicContact CE1-CB 3.85Å; Y328-V397 HydrophobicContact CE1-CG1 4.22Å; Y328-V397 HydrophobicContact CE1-CG2 3.89Å; Y328-V397 HydrophobicContact CE2-CB 4.45Å; Y328-V397 HydrophobicContact CE2-CG1 4.01Å; Y328-V397 HydrophobicContact CE2-CG2 4.35Å; Y328-V397 HydrophobicContact CG-CB 4.25Å; Y328-V397 HydrophobicContact CG-CG1 3.85Å; Y328-T399 VanDerWaalsContact CB-CG2 3.4Å; Y328-V410 HydrophobicContact CD2-CG1 4.5Å; Y328-V410 HydrophobicContact CD2-CG2 4.08Å; Y328-V410 HydrophobicContact CG-CG2 4.29Å; Y328-L413 HydrophobicContact CD2-CD1 4.07Å; Y328-L413 HydrophobicContact CE2-CD1 3.54Å
329	L	94.4	Very high	94.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-87.6	-9	174.1	-62	-177.4	0	0	0	113.7	L306 H326 E327 S331 K332 L333 L336 Y362 V410 L413 F415	L306-L329 HydrophobicContact CD2-CB 4.48Å; H326-L329 HydrophobicContact CB-CD1 3.98Å; H326-L329 HydrophobicContact CB-CG 4.17Å; H326-L329 WeakPolarHBondContact O-CB 3.28Å; H326-L329 PolarHBondContact O-N 2.85Å; E327-L329 PolarHBondContact O-N 2.84Å; E327-L329 VanDerWaalsContact O-N 3.08Å; L329-S331 VanDerWaalsContact C-N 3.25Å; L329-S331 PolarHBondContact O-N 2.86Å; L329-K332 CarbonylContact O-C 3.58Å; L329-K332 WeakPolarHBondContact O-CA 3.37Å; L329-K332 WeakPolarHBondContact O-CB 3.48Å; L329-K332 PolarHBondContact O-N 3.33Å; L329-L333 PolarHBondContact O-N 2.89Å; L329-L336 HydrophobicContact CB-CD1 3.98Å; L329-L336 HydrophobicContact CD1-CD1 4.42Å; L329-Y362 HydrophobicContact CD1-CD2 3.58Å; L329-Y362 HydrophobicContact CD1-CE2 3.79Å; L329-V410 HydrophobicContact CD2-CG1 4.27Å; L329-L413 HydrophobicContact CD2-CD1 4.08Å; L329-F415 HydrophobicContact CD1-CE1 4.4Å; L329-F415 HydrophobicContact CD2-CE1 3.73Å; L329-F415 HydrophobicContact CD2-CZ 3.97Å
330	R	92.6	Very high	94.6	Very high	135 Å²	135	59 Å²	59	51%	0.509	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-60	-34.4	-176.6	-170.5	167.1	-171.1	156.6	7.1	113.4	L306 E327 K332 L333	L306-R330 HydrophobicContact CD1-CB 4.46Å; L306-R330 HydrophobicContact CD1-CG 4.45Å; E327-R330 VanDerWaalsContact O-CB 3.25Å; E327-R330 WeakPolarHBondContact O-CB 3.5Å; E327-R330 PolarHBondContact O-N 2.91Å; E327-R330 WeakPolarHBondContact OE1-CD 3.37Å; E327-R330 IonicContact OE1-CZ 2.8Å; E327-R330 IonicContact OE1-NE 3.59Å; E327-R330 IonicContact OE1-NH1 2.84Å; E327-R330 PolarHBondContact OE1-NH1 3.29Å; R330-K332 PolarHBondContact O-N 3.41Å; R330-L333 HydrophobicContact CG-CD1 4.25Å; R330-L333 WeakPolarHBondContact O-CG 3.44Å
331	S	91.3	Very high	94.5	Very high	106 Å²	106	56.7 Å²	56.7	74%	0.741	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-75.8	-9.4	174.5	60	0	0	0	0	113.8	L329	L329-S331 VanDerWaalsContact C-N 3.25Å; L329-S331 PolarHBondContact O-N 2.86Å
332	K	92.8	Very high	94.5	Very high	69 Å²	69	56 Å²	56	30%	0.3	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-107.1	2.9	-178.2	-60.7	-63.3	-170.7	171.6	0	113.4	L329 R330 C334 S335 L336 V410 D411	L329-K332 CarbonylContact O-C 3.58Å; L329-K332 WeakPolarHBondContact O-CA 3.37Å; L329-K332 WeakPolarHBondContact O-CB 3.48Å; L329-K332 PolarHBondContact O-N 3.33Å; R330-K332 PolarHBondContact O-N 3.41Å; K332-C334 PolarHBondContact O-N 3.13Å; K332-C334 VanDerWaalsContact O-N 3.13Å; K332-S335 PolarHBondContact O-N 3.29Å; K332-L336 HydrophobicContact CB-CD1 4.12Å; K332-L336 HydrophobicContact CB-CG 4.38Å; K332-L336 WeakPolarHBondContact O-CG 3.24Å; K332-L336 PolarHBondContact O-N 3.14Å; K332-V410 HydrophobicContact CG-CG1 4.07Å; K332-D411 VanDerWaalsContact CE-OD1 3.24Å; K332-D411 WeakPolarHBondContact CE-OD1 3.35Å; K332-D411 IonicContact NZ-OD1 2.86Å; K332-D411 PolarHBondContact NZ-OD1 2.77Å
333	L	93.9	Very high	94.4	Very high	12 Å²	12	58.3 Å²	58.3	6%	0.063	29%	0.293	C	S	.	.	H	α-helix	trans	-52.7	-38	-176.9	-69.1	175.4	0	0	0	113.6	F281 I285 Y305 L329 R330 L336 Y337 I342	F281-L333 HydrophobicContact CB-CD1 4.14Å; F281-L333 HydrophobicContact CD1-CB 4.38Å; F281-L333 HydrophobicContact CD2-CB 4.35Å; F281-L333 HydrophobicContact CG-CB 4.22Å; F281-L333 HydrophobicContact CG-CD1 4.5Å; I285-L333 HydrophobicContact CD1-CD1 4.32Å; I285-L333 HydrophobicContact CG2-CD1 4.47Å; I285-L333 HydrophobicContact CG2-CD2 3.92Å; Y305-L333 HydrophobicContact CD1-CD2 4.19Å; Y305-L333 HydrophobicContact CE1-CD2 4.02Å; L329-L333 PolarHBondContact O-N 2.89Å; R330-L333 HydrophobicContact CG-CD1 4.25Å; R330-L333 WeakPolarHBondContact O-CG 3.44Å; L333-L336 PolarHBondContact O-N 3.34Å; L333-Y337 WeakPolarHBondContact O-CB 3.38Å; L333-Y337 PolarHBondContact O-N 2.99Å; L333-I342 HydrophobicContact CD2-CD1 4.11Å
334	C	94.1	Very high	94.4	Very high	71 Å²	71	58.6 Å²	58.6	48%	0.48	30%	0.295	S	S	.	.	H	α-helix	trans	-61.4	-46.4	176.5	-165.8	0	0	0	0	112.3	F281 K332 Y337 E338	F281-C334 HydrophobicContact CZ-CB 4.2Å; K332-C334 PolarHBondContact O-N 3.13Å; K332-C334 VanDerWaalsContact O-N 3.13Å; C334-Y337 PolarHBondContact O-N 3.45Å; C334-E338 WeakPolarHBondContact O-CG 3.3Å; C334-E338 PolarHBondContact O-N 2.95Å; C334-E338 VanDerWaalsContact O-N 3.11Å
335	S	93.3	Very high	94.4	Very high	51 Å²	51	59.8 Å²	59.8	36%	0.357	30%	0.299	S	S	.	.	H	α-helix	trans	-70.6	-32.8	178.1	174.5	0	0	0	0	112.3	K332 Y337 E338 N339	K332-S335 PolarHBondContact O-N 3.29Å; S335-Y337 VanDerWaalsContact C-N 3.31Å; S335-E338 PolarHBondContact O-N 3.27Å; S335-N339 PolarHBondContact O-N 2.97Å; S335-N339 PolarHBondContact O-ND2 2.8Å
336	L	94.4	Very high	94.5	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-70.5	-30.2	176	-67	166.3	0	0	0	112.1	Y305 L329 K332 L333 D340 C341 I342 F415	Y305-L336 HydrophobicContact CE1-CD1 4.22Å; L329-L336 HydrophobicContact CB-CD1 3.98Å; L329-L336 HydrophobicContact CD1-CD1 4.42Å; K332-L336 HydrophobicContact CB-CD1 4.12Å; K332-L336 HydrophobicContact CB-CG 4.38Å; K332-L336 WeakPolarHBondContact O-CG 3.24Å; K332-L336 PolarHBondContact O-N 3.14Å; L333-L336 PolarHBondContact O-N 3.34Å; L336-D340 PolarHBondContact O-N 3.27Å; L336-C341 HydrophobicContact CB-CB 4.46Å; L336-C341 HydrophobicContact CD2-CB 3.84Å; L336-C341 PolarHBondContact O-N 2.83Å; L336-I342 HydrophobicContact CB-CB 4.35Å; L336-I342 PolarHBondContact O-N 3.45Å; L336-I342 VanDerWaalsContact O-N 3.09Å; L336-F415 HydrophobicContact CD2-CD1 3.68Å; L336-F415 HydrophobicContact CD2-CE1 3.59Å; L336-F415 HydrophobicContact CD2-CG 4.22Å; L336-F415 HydrophobicContact CD2-CZ 4.03Å
337	Y	95.3	Very high	94.6	Very high	96 Å²	96	60.6 Å²	60.6	38%	0.376	30%	0.303	S	S	.	.	H	α-helix	trans	-70.9	-42.1	172	178.7	-94.2	0	0	0	111.8	F280 F281 I284 L333 C334 S335 N339 D340 I342 F343	F280-Y337 HydrophobicContact CE1-CE2 4.38Å; F281-Y337 HydrophobicContact CE1-CD2 4.3Å; F281-Y337 AromaticContact CE1-CG 4Å; F281-Y337 HydrophobicContact CE1-CG 4Å; I284-Y337 HydrophobicContact CD1-CD2 3.8Å; I284-Y337 HydrophobicContact CD1-CE2 3.69Å; L333-Y337 WeakPolarHBondContact O-CB 3.38Å; L333-Y337 PolarHBondContact O-N 2.99Å; C334-Y337 PolarHBondContact O-N 3.45Å; S335-Y337 VanDerWaalsContact C-N 3.31Å; Y337-N339 PolarHBondContact O-N 2.91Å; Y337-D340 PolarHBondContact O-N 3.21Å; Y337-I342 HydrophobicContact CD2-CG2 3.99Å; Y337-F343 HydrophobicContact CD2-CE2 4.43Å; Y337-F343 HydrophobicContact CD2-CZ 4.1Å; Y337-F343 HydrophobicContact CE2-CE2 4.42Å; Y337-F343 AromaticContact CE2-CZ 3.87Å; Y337-F343 HydrophobicContact CE2-CZ 3.87Å
338	E	94	Very high	94.8	Very high	138 Å²	138	57.5 Å²	57.5	65%	0.645	29%	0.289	S	S	*	.	H	α-helix	trans	-63.2	-28.1	177	-72.5	172	-172.8	0	0	113.6	C334 S335	C334-E338 WeakPolarHBondContact O-CG 3.3Å; C334-E338 PolarHBondContact O-N 2.95Å; C334-E338 VanDerWaalsContact O-N 3.11Å; S335-E338 PolarHBondContact O-N 3.27Å
339	N	92.8	Very high	95.1	Very high	105 Å²	105	57.2 Å²	57.2	56%	0.561	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	15.6	-179.9	-66	-29.6	0	0	0	113.5	S335 Y337 C341	S335-N339 PolarHBondContact O-N 2.97Å; S335-N339 PolarHBondContact O-ND2 2.8Å; Y337-N339 PolarHBondContact O-N 2.91Å; N339-C341 PolarHBondContact O-N 2.93Å; N339-C341 PolarHBondContact O-SG 2.78Å
340	D	95.4	Very high	95.2	Very high	111 Å²	111	57.8 Å²	57.8	59%	0.594	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	0.5	-178.6	-63.5	-44.4	0	0	0	116.8	L336 Y337 I342 F343	L336-D340 PolarHBondContact O-N 3.27Å; Y337-D340 PolarHBondContact O-N 3.21Å; D340-I342 PolarHBondContact O-N 2.88Å; D340-F343 HydrophobicContact CB-CD2 4.18Å; D340-F343 PolarHBondContact O-N 3.18Å
341	C	95.7	Very high	95.4	Very high	14 Å²	14	51.6 Å²	51.6	10%	0.095	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-61.3	-28	179.4	-66.3	0	0	0	0	111.8	Y305 L336 N339 F343 D344 Y362	Y305-C341 WeakPolarHBondContact CE2-O 3.43Å; Y305-C341 PolarHBondContact OH-O 3.26Å; L336-C341 HydrophobicContact CB-CB 4.46Å; L336-C341 HydrophobicContact CD2-CB 3.84Å; L336-C341 PolarHBondContact O-N 2.83Å; N339-C341 PolarHBondContact O-N 2.93Å; N339-C341 PolarHBondContact O-SG 2.78Å; C341-F343 PolarHBondContact O-N 3.26Å; C341-F343 VanDerWaalsContact O-N 3.11Å; C341-D344 VanDerWaalsContact O-CB 3.3Å; C341-D344 WeakPolarHBondContact O-CB 3.49Å; C341-D344 PolarHBondContact O-N 3.31Å; C341-Y362 HydrophobicContact CB-CE1 4.35Å; C341-Y362 PolarHBondContact O-OH 2.92Å
342	I	95.4	Very high	95.4	Very high	6 Å²	6	48 Å²	48	3%	0.031	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-61.2	-19	176.7	-158.4	169	0	0	0	113.4	F281 I284 I285 Y305 L333 L336 Y337 D340	F281-I342 HydrophobicContact CD1-CD1 4.02Å; I284-I342 HydrophobicContact CB-CD1 4.43Å; I284-I342 HydrophobicContact CG2-CD1 3.8Å; I284-I342 HydrophobicContact CG2-CG1 3.89Å; I284-I342 HydrophobicContact CG2-CG2 4.09Å; I285-I342 HydrophobicContact CG2-CD1 3.89Å; I285-I342 HydrophobicContact CG2-CG1 4.14Å; Y305-I342 HydrophobicContact CD1-CG1 4.29Å; Y305-I342 WeakPolarHBondContact CD2-O 3.47Å; Y305-I342 HydrophobicContact CE1-CG1 4.19Å; L333-I342 HydrophobicContact CD2-CD1 4.11Å; L336-I342 HydrophobicContact CB-CB 4.35Å; L336-I342 PolarHBondContact O-N 3.45Å; L336-I342 VanDerWaalsContact O-N 3.09Å; Y337-I342 HydrophobicContact CD2-CG2 3.99Å; D340-I342 PolarHBondContact O-N 2.88Å
343	F	96.3	Very high	95.4	Very high	108 Å²	108	48.5 Å²	48.5	47%	0.474	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-94.3	3.5	178.7	-55.3	-65.4	0	0	0	113.5	I284 Y337 D340 C341 K345	I284-F343 HydrophobicContact CG2-CD1 4.34Å; I284-F343 HydrophobicContact CG2-CE1 3.84Å; Y337-F343 HydrophobicContact CD2-CE2 4.43Å; Y337-F343 HydrophobicContact CD2-CZ 4.1Å; Y337-F343 HydrophobicContact CE2-CE2 4.42Å; Y337-F343 AromaticContact CE2-CZ 3.87Å; Y337-F343 HydrophobicContact CE2-CZ 3.87Å; D340-F343 HydrophobicContact CB-CD2 4.18Å; D340-F343 PolarHBondContact O-N 3.18Å; C341-F343 PolarHBondContact O-N 3.26Å; C341-F343 VanDerWaalsContact O-N 3.11Å; F343-K345 PolarHBondContact O-N 2.83Å
344	D	96.9	Very high	95.5	Very high	21 Å²	21	48.6 Å²	48.6	11%	0.112	26%	0.261	C	S	.	.			trans	-61.4	127.1	175.2	-75.9	-38.3	0	0	0	111.2	C341 F346 Y362 K418 L420	C341-D344 VanDerWaalsContact O-CB 3.3Å; C341-D344 WeakPolarHBondContact O-CB 3.49Å; C341-D344 PolarHBondContact O-N 3.31Å; D344-F346 HydrophobicContact CB-CD2 4.26Å; D344-F346 HydrophobicContact CB-CE2 3.66Å; D344-F346 HydrophobicContact CB-CZ 4.18Å; D344-F346 PolarHBondContact O-N 3.3Å; D344-Y362 WeakPolarHBondContact OD2-CE1 3.42Å; D344-Y362 PolarHBondContact OD2-OH 3.46Å; D344-K418 IonicContact OD1-NZ 3.79Å; D344-K418 PolarHBondContact OD1-NZ 2.79Å; D344-K418 IonicContact OD2-NZ 3.98Å; D344-L420 HydrophobicContact CB-CD2 4.09Å
345	K	96.9	Very high	95.6	Very high	116 Å²	116	46.4 Å²	46.4	50%	0.504	25%	0.247	S	C	.	.			trans	-95.6	98.2	-178.9	-62.1	-177.4	-177.7	-178.9	0	109.9	F343	F343-K345 PolarHBondContact O-N 2.83Å
346	F	98.1	Very high	95.7	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.			trans	-83.5	132.8	178.6	-69.3	-87.5	0	0	0	111.2	S289 R303 Y305 D344 Y362 I419 L420	S289-F346 PolarHBondContact OG-O 2.61Å; R303-F346 HydrophobicContact CG-CB 4.1Å; R303-F346 WeakPolarHBondContact CG-O 3.28Å; Y305-F346 HydrophobicContact CE2-CE2 4.21Å; D344-F346 HydrophobicContact CB-CD2 4.26Å; D344-F346 HydrophobicContact CB-CE2 3.66Å; D344-F346 HydrophobicContact CB-CZ 4.18Å; D344-F346 PolarHBondContact O-N 3.3Å; F346-Y362 HydrophobicContact CE2-CE2 4.1Å; F346-Y362 AromaticContact CE2-CZ 3.95Å; F346-Y362 HydrophobicContact CZ-CD1 4.44Å; F346-Y362 HydrophobicContact CZ-CD2 4.26Å; F346-Y362 HydrophobicContact CZ-CE1 4.01Å; F346-Y362 AromaticContact CZ-CE2 3.8Å; F346-Y362 HydrophobicContact CZ-CE2 3.8Å; F346-Y362 AromaticContact CZ-CZ 3.66Å; F346-I419 WeakPolarHBondContact CD1-O 3.46Å; F346-I419 WeakPolarHBondContact CE1-O 3.36Å; F346-L420 HydrophobicContact CD1-CD2 3.84Å; F346-L420 HydrophobicContact CD2-CD2 4.49Å; F346-L420 HydrophobicContact CE1-CD2 3.75Å; F346-L420 HydrophobicContact CE2-CD2 4.41Å; F346-L420 HydrophobicContact CG-CD2 4.22Å; F346-L420 HydrophobicContact CZ-CD2 4.05Å
347	E	98	Very high	95.9	Very high	19 Å²	19	43.9 Å²	43.9	9%	0.089	23%	0.23	C	C	.	.			trans	-85.9	162	172.9	-64.8	173.6	-179.8	0	0	111.8	K98 D290 T359 L420 H421	K98-E347 IonicContact NZ-OE1 3.06Å; K98-E347 PolarHBondContact NZ-OE1 2.68Å; D290-E347 WeakPolarHBondContact OD2-CA 3.32Å; E347-T359 PolarHBondContact O-OG1 2.87Å; E347-L420 WeakPolarHBondContact CB-O 3.44Å; E347-L420 PolarHBondContact N-O 3.47Å; E347-H421 VanDerWaalsContact CD-ND1 3.27Å; E347-H421 IonicContact OE1-CE1 2.77Å; E347-H421 IonicContact OE1-ND1 3.91Å; E347-H421 PolarHBondContact OE1-ND1 3.04Å; E347-H421 IonicContact OE2-ND1 2.72Å; E347-H421 PolarHBondContact OE2-ND1 3.28Å
348	C	97.7	Very high	96	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.02	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	151.1	175.3	58.9	0	0	0	0	110.6	D290 K292 M301 R303 M358	D290-C348 PolarHBondContact OD2-N 2.96Å; K292-C348 WeakPolarHBondContact CG-O 3.5Å; M301-C348 HydrophobicContact CE-CB 3.64Å; M301-C348 VanDerWaalsContact CE-SG 3.55Å; M301-C348 HydrophobicContact CG-CB 4.5Å; M301-C348 HydrophobicContact SD-CB 3.93Å; R303-C348 HydrophobicContact CB-CB 4.14Å; C348-M358 WeakPolarHBondContact CA-O 3.27Å
349	C	97.4	Very high	96.2	Very high	18 Å²	18	32.8 Å²	32.8	12%	0.122	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	150.8	177.9	64.4	0	0	0	0	112.8	M358	C349-M358 PolarHBondContact N-O 3.31Å; C349-M358 PolarHBondContact O-N 3.4Å; C349-M358 WeakPolarHBondContact SG-CE 3.47Å
350	W	97.8	Very high	96.4	Very high	12 Å²	12	27.8 Å²	27.8	5%	0.045	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	150	173.4	-62.5	100.5	0	0	0	110.7	K292 F293 M301 V310 D354 I357 W424	K292-W350 PolarHBondContact O-NE1 2.87Å; F293-W350 VanDerWaalsContact O-CD1 3.23Å; F293-W350 PolarHBondContact O-NE1 3.27Å; M301-W350 HydrophobicContact CB-CH2 4.28Å; M301-W350 HydrophobicContact CB-CZ2 3.4Å; M301-W350 HydrophobicContact CE-CD2 4.2Å; M301-W350 HydrophobicContact CE-CG 4.18Å; V310-W350 HydrophobicContact CB-CH2 4.49Å; V310-W350 HydrophobicContact CG1-CH2 3.76Å; V310-W350 HydrophobicContact CG1-CZ2 4.43Å; V310-W350 HydrophobicContact CG2-CH2 3.92Å; W350-D354 HydrophobicContact CE3-CB 4.14Å; W350-D354 HydrophobicContact CZ3-CB 4.41Å; W350-I357 HydrophobicContact CE3-CD1 4.41Å; W350-I357 HydrophobicContact CE3-CG1 3.82Å; W350-I357 HydrophobicContact CH2-CD1 4.22Å; W350-I357 HydrophobicContact CH2-CG1 4.49Å; W350-I357 HydrophobicContact CZ3-CD1 3.92Å; W350-I357 HydrophobicContact CZ3-CG1 3.83Å; W350-W424 WeakPolarHBondContact O-CB 3.43Å
351	N	95.9	Very high	96.5	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.027	13%	0.126	C	C	.	.			trans	-72.3	164.6	158.3	82.6	-32	0	0	0	110.6	H295 S353 D354 S355 A356 W424	H295-N351 PolarHBondContact CE1-O 2.75Å; H295-N351 PolarHBondContact ND1-O 3.44Å; N351-S353 PolarHBondContact ND2-OG 3.34Å; N351-S353 PolarHBondContact O-N 3.12Å; N351-D354 PolarHBondContact O-N 3.38Å; N351-D354 WeakPolarHBondContact OD1-CA 3.07Å; N351-D354 PolarHBondContact OD1-N 3.01Å; N351-S355 PolarHBondContact ND2-OG 3.3Å; N351-S355 PolarHBondContact OD1-N 2.93Å; N351-A356 HydrophobicContact CB-CB 4.24Å; N351-A356 PolarHBondContact N-O 3.17Å; N351-A356 PolarHBondContact OD1-N 3.43Å; N351-A356 PolarHBondContact OD1-O 2.72Å; N351-W424 HydrophobicContact CB-CD2 3.56Å; N351-W424 HydrophobicContact CB-CE3 3.82Å; N351-W424 HydrophobicContact CB-CG 4.21Å; N351-W424 HydrophobicContact CB-CH2 3.62Å; N351-W424 HydrophobicContact CB-CZ2 3.36Å; N351-W424 HydrophobicContact CB-CZ3 3.84Å
352	G	91.3	Very high	96.6	Very high	31 Å²	31	21.8 Å²	21.8	32%	0.32	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.5	-176	0	0	0	0	0	116.1	P426	G352-P426 WeakPolarHBondContact CA-O 3.46Å
353	S	93.5	Very high	96.5	Very high	80 Å²	80	22.5 Å²	22.5	56%	0.559	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.4	8.5	179	62.8	0	0	0	0	114.3	N351 S355	N351-S353 PolarHBondContact ND2-OG 3.34Å; N351-S353 PolarHBondContact O-N 3.12Å; S353-S355 PolarHBondContact O-N 3.33Å; S353-S355 PolarHBondContact OG-OG 2.91Å
354	D	96.3	Very high	96.5	Very high	13 Å²	13	18.4 Å²	18.4	7%	0.07	11%	0.108	C	C	.	.	S	Bend	trans	56.5	15.5	-175.4	-55.4	-29.9	0	0	0	115.1	S294 H295 S296 W350 N351 R371	S294-D354 WeakPolarHBondContact CB-OD2 3.3Å; H295-D354 WeakPolarHBondContact CB-OD1 3.37Å; H295-D354 IonicContact CE1-OD1 3.49Å; H295-D354 IonicContact CG-OD1 2.73Å; H295-D354 VanDerWaalsContact N-CG 3.33Å; H295-D354 PolarHBondContact N-OD1 2.85Å; H295-D354 PolarHBondContact N-OD2 3.22Å; H295-D354 VanDerWaalsContact N-OD2 3.12Å; H295-D354 IonicContact ND1-OD1 2.63Å; H295-D354 PolarHBondContact ND1-OD1 3.4Å; S296-D354 WeakPolarHBondContact CB-OD2 3.42Å; S296-D354 PolarHBondContact N-OD2 2.67Å; S296-D354 PolarHBondContact OG-OD2 2.93Å; W350-D354 HydrophobicContact CE3-CB 4.14Å; W350-D354 HydrophobicContact CZ3-CB 4.41Å; N351-D354 PolarHBondContact O-N 3.38Å; N351-D354 WeakPolarHBondContact OD1-CA 3.07Å; N351-D354 PolarHBondContact OD1-N 3.01Å; D354-R371 WeakPolarHBondContact O-CD 3.23Å; D354-R371 PolarHBondContact O-NH1 3.22Å
355	S	95.2	Very high	96.5	Very high	25 Å²	25	17.4 Å²	17.4	18%	0.175	10%	0.103	C	C	.	.	S	Bend	trans	-92.5	-18.4	-176.5	64.8	0	0	0	0	113.7	N351 S353 R371	N351-S355 PolarHBondContact ND2-OG 3.3Å; N351-S355 PolarHBondContact OD1-N 2.93Å; S353-S355 PolarHBondContact O-N 3.33Å; S353-S355 PolarHBondContact OG-OG 2.91Å; S355-R371 WeakPolarHBondContact O-CB 3.39Å; S355-R371 PolarHBondContact O-N 3.06Å
356	A	96	Very high	96.5	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.008	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	150.8	178.3	0	0	0	0	0	110.6	F10 N351 F369 W424	F10-A356 HydrophobicContact CE2-CB 4.06Å; F10-A356 HydrophobicContact CZ-CB 4.21Å; N351-A356 HydrophobicContact CB-CB 4.24Å; N351-A356 PolarHBondContact N-O 3.17Å; N351-A356 PolarHBondContact OD1-N 3.43Å; N351-A356 PolarHBondContact OD1-O 2.72Å; A356-F369 CarbonylContact C-O 3.5Å; A356-F369 VanDerWaalsContact CA-O 3.25Å; A356-F369 WeakPolarHBondContact CA-O 3.44Å; A356-W424 HydrophobicContact CB-CH2 3.72Å; A356-W424 HydrophobicContact CB-CZ3 4.14Å
357	I	97.3	Very high	96.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	143	-178	-69.4	166.1	0	0	0	108.4	M301 V308 V310 Y323 W350 M368 F369 R371	M301-I357 HydrophobicContact CE-CG2 4.24Å; M301-I357 HydrophobicContact SD-CB 4.16Å; M301-I357 HydrophobicContact SD-CD1 3.84Å; M301-I357 HydrophobicContact SD-CG1 3.8Å; M301-I357 HydrophobicContact SD-CG2 3.31Å; M301-I357 WeakPolarHBondContact SD-CG2 3.37Å; V308-I357 HydrophobicContact CG1-CG2 4.05Å; V310-I357 HydrophobicContact CG2-CD1 3.49Å; V310-I357 VanDerWaalsContact CG2-CD1 3.49Å; Y323-I357 HydrophobicContact CD2-CD1 4.39Å; Y323-I357 HydrophobicContact CE2-CD1 4.1Å; W350-I357 HydrophobicContact CE3-CD1 4.41Å; W350-I357 HydrophobicContact CE3-CG1 3.82Å; W350-I357 HydrophobicContact CH2-CD1 4.22Å; W350-I357 HydrophobicContact CH2-CG1 4.49Å; W350-I357 HydrophobicContact CZ3-CD1 3.92Å; W350-I357 HydrophobicContact CZ3-CG1 3.83Å; I357-M368 CarbonylContact O-C 3.55Å; I357-M368 WeakPolarHBondContact O-CA 3.46Å; I357-F369 HydrophobicContact CB-CB 4.4Å; I357-F369 HydrophobicContact CG2-CD2 4.34Å; I357-F369 PolarHBondContact N-O 2.8Å; I357-F369 PolarHBondContact O-N 2.91Å; I357-R371 HydrophobicContact CD1-CG 4.09Å; I357-R371 HydrophobicContact CG1-CG 4.45Å
358	M	97.6	Very high	96.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	144.7	171.3	179.1	177	64.8	0	0	110.8	C348 C349 F366 R367 M368 T422 W424 I431 V433	C348-M358 WeakPolarHBondContact CA-O 3.27Å; C349-M358 PolarHBondContact N-O 3.31Å; C349-M358 PolarHBondContact O-N 3.4Å; C349-M358 WeakPolarHBondContact SG-CE 3.47Å; M358-F366 HydrophobicContact CG-CD2 4.43Å; M358-F366 HydrophobicContact SD-CD2 4.14Å; M358-R367 WeakPolarHBondContact CA-O 3.4Å; M358-M368 HydrophobicContact CB-CG 4.47Å; M358-M368 HydrophobicContact CG-CG 4.32Å; M358-T422 HydrophobicContact CE-CG2 4.49Å; M358-W424 HydrophobicContact CB-CE3 3.79Å; M358-W424 HydrophobicContact CB-CZ3 3.87Å; M358-I431 HydrophobicContact CE-CB 3.98Å; M358-I431 HydrophobicContact CE-CG2 3.94Å; M358-I431 HydrophobicContact SD-CB 4.01Å; M358-I431 HydrophobicContact SD-CD1 3.78Å; M358-I431 HydrophobicContact SD-CG1 4.46Å; M358-I431 HydrophobicContact SD-CG2 3.96Å; M358-V433 HydrophobicContact SD-CG2 4.42Å
359	T	98.4	Very high	96.2	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	160	172.7	-168	0	0	0	0	111.2	R303 V308 V325 E347 F366 R367 F369	R303-T359 PolarHBondContact NH1-OG1 3.34Å; V308-T359 HydrophobicContact CG2-CG2 3.74Å; V325-T359 HydrophobicContact CG1-CG2 4.08Å; V325-T359 HydrophobicContact CG2-CG2 3.82Å; E347-T359 PolarHBondContact O-OG1 2.87Å; T359-F366 CarbonylContact O-C 3.51Å; T359-F366 WeakPolarHBondContact O-CA 3.07Å; T359-R367 PolarHBondContact N-O 3.38Å; T359-R367 PolarHBondContact O-N 2.89Å; T359-F369 HydrophobicContact CG2-CE2 4.12Å
360	G	97.8	Very high	96.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	170.2	-179	0	0	0	0	0	115.6	R303 I419	R303-G360 PolarHBondContact NH1-O 3.27Å; G360-I419 VanDerWaalsContact CA-O 3.29Å; G360-I419 WeakPolarHBondContact CA-O 3.4Å
361	S	97.5	Very high	96	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.085	C	C	.	.			trans	-154.9	-171.8	175.2	-169.8	0	0	0	0	109.3	H326 F365 I419	H326-S361 PolarHBondContact ND1-OG 2.82Å; S361-F365 CarbonylContact C-O 3.54Å; S361-F365 WeakPolarHBondContact CA-O 3.37Å; S361-F365 WeakPolarHBondContact CB-O 3.31Å; S361-F365 PolarHBondContact N-O 2.75Å; S361-I419 PolarHBondContact O-N 2.8Å
362	Y	96.4	Very high	95.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-83.1	173.3	177.3	-61.2	-78.1	0	0	0	112.8	Y305 H326 L329 C341 D344 F346 N364 F365 F415 K417 K418	Y305-Y362 HydrophobicContact CE2-CE2 4.45Å; Y305-Y362 WeakPolarHBondContact CE2-OH 3.5Å; Y305-Y362 WeakPolarHBondContact OH-CE2 3.26Å; Y305-Y362 PolarHBondContact OH-OH 3.35Å; H326-Y362 AromaticContact CE1-CE2 3.9Å; L329-Y362 HydrophobicContact CD1-CD2 3.58Å; L329-Y362 HydrophobicContact CD1-CE2 3.79Å; C341-Y362 HydrophobicContact CB-CE1 4.35Å; C341-Y362 PolarHBondContact O-OH 2.92Å; D344-Y362 WeakPolarHBondContact OD2-CE1 3.42Å; D344-Y362 PolarHBondContact OD2-OH 3.46Å; F346-Y362 HydrophobicContact CE2-CE2 4.1Å; F346-Y362 AromaticContact CE2-CZ 3.95Å; F346-Y362 HydrophobicContact CZ-CD1 4.44Å; F346-Y362 HydrophobicContact CZ-CD2 4.26Å; F346-Y362 HydrophobicContact CZ-CE1 4.01Å; F346-Y362 AromaticContact CZ-CE2 3.8Å; F346-Y362 HydrophobicContact CZ-CE2 3.8Å; F346-Y362 AromaticContact CZ-CZ 3.66Å; Y362-N364 VanDerWaalsContact C-N 3.27Å; Y362-N364 PolarHBondContact O-N 2.87Å; Y362-F365 WeakPolarHBondContact O-CB 3.24Å; Y362-F365 WeakPolarHBondContact O-CD2 3.48Å; Y362-F365 WeakPolarHBondContact O-CG 3.42Å; Y362-F365 PolarHBondContact O-N 3.21Å; Y362-F415 HydrophobicContact CD1-CB 4.12Å; Y362-F415 AromaticContact CD1-CD1 3.73Å; Y362-F415 HydrophobicContact CD1-CD1 3.73Å; Y362-F415 HydrophobicContact CD1-CG 4.43Å; Y362-F415 WeakPolarHBondContact CD1-O 3.32Å; Y362-F415 AromaticContact CD2-CD1 3.93Å; Y362-F415 HydrophobicContact CD2-CD1 3.93Å; Y362-F415 HydrophobicContact CD2-CE1 4.19Å; Y362-F415 HydrophobicContact CE1-CB 4.43Å; Y362-F415 HydrophobicContact CE1-CD1 4.14Å; Y362-F415 HydrophobicContact CE2-CD1 4.32Å; Y362-F415 AromaticContact CG-CD1 3.6Å; Y362-F415 HydrophobicContact CG-CD1 3.6Å; Y362-F415 HydrophobicContact CG-CE1 4.2Å; Y362-K417 CarbonylContact C-O 3.56Å; Y362-K417 VanDerWaalsContact C-O 3.28Å; Y362-K417 WeakPolarHBondContact CA-O 3.44Å; Y362-K418 HydrophobicContact CD1-CB 4.02Å; Y362-K418 HydrophobicContact CE1-CB 4.23Å
363	N	94.8	Very high	95.8	Very high	20 Å²	20	21.4 Å²	21.4	11%	0.107	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	36.9	-175.5	-160.3	77	0	0	0	113.9	F365 L413 D414 K417	N363-F365 HydrophobicContact CB-CD2 4.2Å; N363-F365 HydrophobicContact CB-CE1 4.42Å; N363-F365 HydrophobicContact CB-CE2 4.02Å; N363-F365 HydrophobicContact CB-CG 4.47Å; N363-F365 HydrophobicContact CB-CZ 4.12Å; N363-F365 WeakPolarHBondContact ND2-CE1 3.35Å; N363-F365 WeakPolarHBondContact ND2-CZ 3.42Å; N363-F365 VanDerWaalsContact O-CD1 3.3Å; N363-F365 WeakPolarHBondContact O-CD1 3.26Å; N363-F365 WeakPolarHBondContact O-CE1 3.38Å; N363-F365 PolarHBondContact O-N 2.82Å; N363-F365 VanDerWaalsContact O-N 3.12Å; N363-L413 HydrophobicContact CB-CB 4.43Å; N363-L413 HydrophobicContact CB-CD2 3.81Å; N363-D414 WeakPolarHBondContact CA-O 3.4Å; N363-D414 PolarHBondContact N-O 3.49Å; N363-D414 PolarHBondContact OD1-N 2.95Å; N363-D414 VanDerWaalsContact OD1-N 3.11Å; N363-K417 CarbonylContact C-O 3.53Å; N363-K417 WeakPolarHBondContact CA-O 3.44Å; N363-K417 PolarHBondContact N-O 2.93Å
364	N	95.1	Very high	95.5	Very high	22 Å²	22	23.9 Å²	23.9	12%	0.118	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	29.7	-170.9	-68	-17.5	0	0	0	113.3	Y362 E380 A381 K417 I419	Y362-N364 VanDerWaalsContact C-N 3.27Å; Y362-N364 PolarHBondContact O-N 2.87Å; N364-E380 WeakPolarHBondContact O-CA 3.25Å; N364-A381 HydrophobicContact CB-CB 4.38Å; N364-A381 VanDerWaalsContact CB-O 3.28Å; N364-A381 WeakPolarHBondContact CB-O 3.3Å; N364-A381 PolarHBondContact ND2-O 2.93Å; N364-A381 PolarHBondContact O-N 3.07Å; N364-K417 PolarHBondContact N-O 2.76Å; N364-K417 WeakPolarHBondContact OD1-CB 3.45Å; N364-I419 HydrophobicContact CB-CD1 4.36Å; N364-I419 WeakPolarHBondContact O-CD1 3.47Å
365	F	96.8	Very high	95.3	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	142.3	173.9	-62.6	-22.3	0	0	0	111.6	S361 Y362 N363 T378 L379 E380 R395 V397 I408 L413	S361-F365 CarbonylContact C-O 3.54Å; S361-F365 WeakPolarHBondContact CA-O 3.37Å; S361-F365 WeakPolarHBondContact CB-O 3.31Å; S361-F365 PolarHBondContact N-O 2.75Å; Y362-F365 WeakPolarHBondContact O-CB 3.24Å; Y362-F365 WeakPolarHBondContact O-CD2 3.48Å; Y362-F365 WeakPolarHBondContact O-CG 3.42Å; Y362-F365 PolarHBondContact O-N 3.21Å; N363-F365 HydrophobicContact CB-CD2 4.2Å; N363-F365 HydrophobicContact CB-CE1 4.42Å; N363-F365 HydrophobicContact CB-CE2 4.02Å; N363-F365 HydrophobicContact CB-CG 4.47Å; N363-F365 HydrophobicContact CB-CZ 4.12Å; N363-F365 WeakPolarHBondContact ND2-CE1 3.35Å; N363-F365 WeakPolarHBondContact ND2-CZ 3.42Å; N363-F365 VanDerWaalsContact O-CD1 3.3Å; N363-F365 WeakPolarHBondContact O-CD1 3.26Å; N363-F365 WeakPolarHBondContact O-CE1 3.38Å; N363-F365 PolarHBondContact O-N 2.82Å; N363-F365 VanDerWaalsContact O-N 3.12Å; F365-T378 HydrophobicContact CB-CG2 3.81Å; F365-T378 HydrophobicContact CD1-CG2 4.39Å; F365-T378 HydrophobicContact CD2-CG2 4.03Å; F365-T378 HydrophobicContact CG-CG2 3.83Å; F365-L379 VanDerWaalsContact CA-O 3.26Å; F365-L379 WeakPolarHBondContact CA-O 3.42Å; F365-E380 HydrophobicContact CD1-CB 3.81Å; F365-E380 HydrophobicContact CD1-CG 4Å; F365-E380 HydrophobicContact CE1-CB 3.88Å; F365-E380 HydrophobicContact CE1-CG 3.86Å; F365-R395 HydrophobicContact CE1-CB 4.24Å; F365-R395 HydrophobicContact CE1-CG 4.04Å; F365-R395 HydrophobicContact CZ-CB 4.33Å; F365-R395 HydrophobicContact CZ-CG 4.49Å; F365-V397 HydrophobicContact CD2-CG2 4.31Å; F365-V397 HydrophobicContact CE2-CG2 3.79Å; F365-I408 HydrophobicContact CE1-CD1 4.33Å; F365-I408 HydrophobicContact CZ-CD1 3.62Å; F365-L413 HydrophobicContact CE2-CD2 3.77Å; F365-L413 HydrophobicContact CZ-CD2 4.47Å
366	F	97.1	Very high	95.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	151.3	165.6	61.8	-81.7	0	0	0	108.4	M358 T359 M368 L379 A381 L392 I419 I431 V433 F442	M358-F366 HydrophobicContact CG-CD2 4.43Å; M358-F366 HydrophobicContact SD-CD2 4.14Å; T359-F366 CarbonylContact O-C 3.51Å; T359-F366 WeakPolarHBondContact O-CA 3.07Å; F366-M368 HydrophobicContact CD2-CG 4.28Å; F366-M368 HydrophobicContact CE2-CG 4.46Å; F366-M368 HydrophobicContact CE2-SD 4.15Å; F366-L379 HydrophobicContact CD1-CB 4.23Å; F366-L379 HydrophobicContact CD2-CB 4.19Å; F366-L379 HydrophobicContact CE1-CB 3.65Å; F366-L379 HydrophobicContact CE2-CB 3.62Å; F366-L379 HydrophobicContact CE2-CD1 3.69Å; F366-L379 HydrophobicContact CE2-CG 4.22Å; F366-L379 HydrophobicContact CG-CB 4.48Å; F366-L379 HydrophobicContact CZ-CB 3.32Å; F366-L379 HydrophobicContact CZ-CD1 3.84Å; F366-L379 HydrophobicContact CZ-CG 4.22Å; F366-L379 PolarHBondContact N-O 2.87Å; F366-L379 PolarHBondContact O-N 2.76Å; F366-A381 HydrophobicContact CE1-CB 4.49Å; F366-L392 HydrophobicContact CZ-CD1 4.1Å; F366-I419 HydrophobicContact CB-CD1 4.12Å; F366-I419 HydrophobicContact CD1-CD1 3.92Å; F366-I419 HydrophobicContact CG-CD1 4.49Å; F366-I431 HydrophobicContact CD2-CD1 4.48Å; F366-I431 HydrophobicContact CE2-CD1 3.67Å; F366-I431 HydrophobicContact CZ-CD1 4.19Å; F366-V433 HydrophobicContact CD1-CG1 4.25Å; F366-V433 HydrophobicContact CD1-CG2 4.43Å; F366-V433 HydrophobicContact CE1-CG2 4.48Å; F366-V433 HydrophobicContact CG-CG2 4.46Å; F366-F442 HydrophobicContact CE1-CD2 4.35Å; F366-F442 AromaticContact CE1-CE2 3.74Å; F366-F442 HydrophobicContact CE1-CE2 3.74Å; F366-F442 HydrophobicContact CE1-CZ 4.24Å; F366-F442 AromaticContact CZ-CD2 3.89Å; F366-F442 HydrophobicContact CZ-CD2 3.89Å; F366-F442 AromaticContact CZ-CE2 3.75Å; F366-F442 HydrophobicContact CZ-CE2 3.75Å; F366-F442 HydrophobicContact CZ-CZ 4.41Å
367	R	96.8	Very high	95.1	Very high	32 Å²	32	33.4 Å²	33.4	12%	0.121	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	146.5	-177	-58.8	-154.1	77.4	138.6	0.6	110.6	V325 M358 T359 F369 D376 I377 T378	V325-R367 HydrophobicContact CG1-CG 4.17Å; V325-R367 WeakPolarHBondContact O-CD 3.36Å; V325-R367 PolarHBondContact O-NH1 3.21Å; M358-R367 WeakPolarHBondContact CA-O 3.4Å; T359-R367 PolarHBondContact N-O 3.38Å; T359-R367 PolarHBondContact O-N 2.89Å; R367-F369 HydrophobicContact CB-CE2 3.85Å; R367-F369 HydrophobicContact CB-CZ 3.9Å; R367-D376 IonicContact CZ-OD2 2.66Å; R367-D376 IonicContact NE-OD2 3.88Å; R367-D376 IonicContact NH2-OD2 3.69Å; R367-D376 PolarHBondContact NH2-OD2 3.4Å; R367-I377 VanDerWaalsContact CA-O 3.32Å; R367-I377 WeakPolarHBondContact CA-O 3.06Å; R367-T378 HydrophobicContact CG-CG2 4.41Å; R367-T378 PolarHBondContact NE-OG1 2.79Å; R367-T378 VanDerWaalsContact NE-OG1 3.09Å; R367-T378 PolarHBondContact NH1-OG1 2.8Å; R367-T378 PolarHBondContact NH2-OG1 2.85Å
368	M	96.1	Very high	95	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.039	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	136.8	176	-47.7	-176.7	69.3	0	0	109.1	W12 I357 M358 F366 D376 I377 L379 W424 I431	W12-M368 HydrophobicContact CD2-SD 4.35Å; W12-M368 VanDerWaalsContact CE2-CE 3.49Å; W12-M368 HydrophobicContact CG-SD 4.45Å; W12-M368 HydrophobicContact CH2-CE 4.19Å; W12-M368 HydrophobicContact CZ2-CE 3.27Å; W12-M368 HydrophobicContact CZ2-SD 4.05Å; W12-M368 PolarHBondContact NE1-SD 2.79Å; I357-M368 CarbonylContact O-C 3.55Å; I357-M368 WeakPolarHBondContact O-CA 3.46Å; M358-M368 HydrophobicContact CB-CG 4.47Å; M358-M368 HydrophobicContact CG-CG 4.32Å; F366-M368 HydrophobicContact CD2-CG 4.28Å; F366-M368 HydrophobicContact CE2-CG 4.46Å; F366-M368 HydrophobicContact CE2-SD 4.15Å; M368-D376 VanDerWaalsContact O-CA 3.27Å; M368-D376 WeakPolarHBondContact O-CA 3.46Å; M368-I377 HydrophobicContact CB-CG2 3.77Å; M368-I377 HydrophobicContact CG-CG2 4.29Å; M368-I377 PolarHBondContact N-O 2.93Å; M368-I377 PolarHBondContact O-N 2.88Å; M368-L379 HydrophobicContact SD-CD1 4.06Å; M368-W424 HydrophobicContact CE-CE3 4.24Å; M368-W424 HydrophobicContact CE-CH2 3.14Å; M368-W424 HydrophobicContact CE-CZ2 3.96Å; M368-W424 HydrophobicContact CE-CZ3 3.32Å; M368-I431 HydrophobicContact SD-CD1 4.36Å
369	F	96.3	Very high	94.8	Very high	5 Å²	5	33.7 Å²	33.7	2%	0.022	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	123	-178	-56.7	-82	0	0	0	108.7	Y323 V325 A356 I357 T359 R367 D376	Y323-F369 HydrophobicContact CD1-CB 3.73Å; Y323-F369 AromaticContact CD1-CD1 3.43Å; Y323-F369 HydrophobicContact CD1-CD1 3.43Å; Y323-F369 VanDerWaalsContact CD1-CD1 3.43Å; Y323-F369 HydrophobicContact CD1-CE1 4.2Å; Y323-F369 AromaticContact CD1-CG 3.69Å; Y323-F369 HydrophobicContact CD1-CG 3.69Å; Y323-F369 HydrophobicContact CE1-CB 3.87Å; Y323-F369 HydrophobicContact CE1-CD1 4.27Å; Y323-F369 HydrophobicContact CE1-CG 4.34Å; Y323-F369 HydrophobicContact CG-CB 4.07Å; Y323-F369 AromaticContact CG-CD1 3.85Å; Y323-F369 HydrophobicContact CG-CD1 3.85Å; Y323-F369 HydrophobicContact CG-CD2 4.38Å; Y323-F369 HydrophobicContact CG-CE1 4.39Å; Y323-F369 AromaticContact CG-CG 3.84Å; Y323-F369 HydrophobicContact CG-CG 3.84Å; V325-F369 HydrophobicContact CG2-CE2 4.23Å; V325-F369 HydrophobicContact CG2-CZ 4.21Å; A356-F369 CarbonylContact C-O 3.5Å; A356-F369 VanDerWaalsContact CA-O 3.25Å; A356-F369 WeakPolarHBondContact CA-O 3.44Å; I357-F369 HydrophobicContact CB-CB 4.4Å; I357-F369 HydrophobicContact CG2-CD2 4.34Å; I357-F369 PolarHBondContact N-O 2.8Å; I357-F369 PolarHBondContact O-N 2.91Å; T359-F369 HydrophobicContact CG2-CE2 4.12Å; R367-F369 HydrophobicContact CB-CE2 3.85Å; R367-F369 HydrophobicContact CB-CZ 3.9Å; F369-D376 HydrophobicContact CD1-CB 3.42Å; F369-D376 VanDerWaalsContact CD1-CB 3.42Å; F369-D376 HydrophobicContact CE1-CB 3.61Å; F369-D376 HydrophobicContact CG-CB 4.46Å
370	D	95	Very high	94.6	Very high	24 Å²	24	35.2 Å²	35.2	13%	0.128	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	123.6	169.9	-180	-24.5	0	0	0	108.8	N372 T373 R374 K375	D370-N372 WeakPolarHBondContact OD1-CA 3.45Å; D370-N372 WeakPolarHBondContact OD1-CB 3.24Å; D370-N372 PolarHBondContact OD1-N 2.91Å; D370-T373 VanDerWaalsContact CB-OG1 3.26Å; D370-T373 WeakPolarHBondContact CB-OG1 3.43Å; D370-T373 PolarHBondContact OD1-N 3.21Å; D370-T373 VanDerWaalsContact OD2-CG2 3.29Å; D370-T373 WeakPolarHBondContact OD2-CG2 3.38Å; D370-T373 PolarHBondContact OD2-OG1 3.25Å; D370-R374 WeakPolarHBondContact O-CA 3.24Å; D370-R374 PolarHBondContact O-N 3.07Å; D370-K375 PolarHBondContact N-O 2.87Å
371	R	94.2	Very high	94.4	Very high	25 Å²	25	35.2 Å²	35.2	9%	0.094	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-32.6	-177.7	-63.5	-179.7	59.2	-149.9	-1.8	113.2	E321 Y323 D354 S355 I357	E321-R371 IonicContact OE1-CZ 3.74Å; E321-R371 IonicContact OE1-NE 3.89Å; E321-R371 PolarHBondContact OE1-NE 2.62Å; E321-R371 IonicContact OE1-NH2 3.74Å; E321-R371 PolarHBondContact OE1-NH2 2.67Å; E321-R371 WeakPolarHBondContact OE2-CG 3.38Å; E321-R371 IonicContact OE2-CZ 3.2Å; E321-R371 IonicContact OE2-NE 3.98Å; E321-R371 PolarHBondContact OE2-NE 3.43Å; E321-R371 IonicContact OE2-NH2 3.46Å; Y323-R371 WeakPolarHBondContact OH-CA 3.41Å; D354-R371 WeakPolarHBondContact O-CD 3.23Å; D354-R371 PolarHBondContact O-NH1 3.22Å; S355-R371 WeakPolarHBondContact O-CB 3.39Å; S355-R371 PolarHBondContact O-N 3.06Å; I357-R371 HydrophobicContact CD1-CG 4.09Å; I357-R371 HydrophobicContact CG1-CG 4.45Å
372	N	92.6	Very high	93.9	Very high	128 Å²	128	36.1 Å²	36.1	68%	0.684	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-47.9	-178.3	-62.5	-36.2	0	0	0	110.8	D370	D370-N372 WeakPolarHBondContact OD1-CA 3.45Å; D370-N372 WeakPolarHBondContact OD1-CB 3.24Å; D370-N372 PolarHBondContact OD1-N 2.91Å
373	T	90.6	Very high	93	Very high	66 Å²	66	40.1 Å²	40.1	41%	0.405	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-13	-176.2	67.3	0	0	0	0	113.4	D370 K375	D370-T373 VanDerWaalsContact CB-OG1 3.26Å; D370-T373 WeakPolarHBondContact CB-OG1 3.43Å; D370-T373 PolarHBondContact OD1-N 3.21Å; D370-T373 VanDerWaalsContact OD2-CG2 3.29Å; D370-T373 WeakPolarHBondContact OD2-CG2 3.38Å; D370-T373 PolarHBondContact OD2-OG1 3.25Å; T373-K375 PolarHBondContact O-N 3.35Å; T373-K375 VanDerWaalsContact O-N 3.1Å; T373-K375 PolarHBondContact OG1-N 3.29Å
374	R	88.8	Confident	91.7	Very high	131 Å²	131	48.3 Å²	48.3	49%	0.494	23%	0.229	S	C	.	.			trans	57.1	16.6	-173.4	-58.2	-65.8	-171.4	156.6	5.4	113.6	E321 Y323 D370	E321-R374 VanDerWaalsContact CB-NH1 3.33Å; E321-R374 IonicContact OE2-NH1 2.62Å; Y323-R374 PolarHBondContact OH-NH1 3Å; Y323-R374 VanDerWaalsContact OH-NH1 3.13Å; D370-R374 WeakPolarHBondContact O-CA 3.24Å; D370-R374 PolarHBondContact O-N 3.07Å
375	K	91.2	Very high	90.1	Very high	105 Å²	105	49.4 Å²	49.4	46%	0.457	24%	0.239	S	C	.	.			trans	-80.7	146.6	172.1	-67.1	-176.4	-176.3	176.1	0	109.7	D9 D370 T373	D9-K375 VanDerWaalsContact CG-NZ 3.33Å; D9-K375 IonicContact OD1-NZ 3.28Å; D9-K375 PolarHBondContact OD1-NZ 3.38Å; D9-K375 IonicContact OD2-NZ 3.71Å; D9-K375 PolarHBondContact OD2-NZ 3.11Å; D370-K375 PolarHBondContact N-O 2.87Å; T373-K375 PolarHBondContact O-N 3.35Å; T373-K375 VanDerWaalsContact O-N 3.1Å; T373-K375 PolarHBondContact OG1-N 3.29Å
376	D	92.9	Very high	88.6	Confident	88 Å²	88	50.2 Å²	50.2	47%	0.471	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	153.9	172.4	73.6	-82.1	0	0	0	111.4	R367 M368 F369	R367-D376 IonicContact CZ-OD2 2.66Å; R367-D376 IonicContact NE-OD2 3.88Å; R367-D376 IonicContact NH2-OD2 3.69Å; R367-D376 PolarHBondContact NH2-OD2 3.4Å; M368-D376 VanDerWaalsContact O-CA 3.27Å; M368-D376 WeakPolarHBondContact O-CA 3.46Å; F369-D376 HydrophobicContact CD1-CB 3.42Å; F369-D376 VanDerWaalsContact CD1-CB 3.42Å; F369-D376 HydrophobicContact CE1-CB 3.61Å; F369-D376 HydrophobicContact CG-CB 4.46Å
377	I	94.1	Very high	87.6	Confident	47 Å²	47	58.1 Å²	58.1	24%	0.241	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	142	177	-171.7	170.1	0	0	0	109.8	R367 M368 L379 P394	R367-I377 VanDerWaalsContact CA-O 3.32Å; R367-I377 WeakPolarHBondContact CA-O 3.06Å; M368-I377 HydrophobicContact CB-CG2 3.77Å; M368-I377 HydrophobicContact CG-CG2 4.29Å; M368-I377 PolarHBondContact N-O 2.93Å; M368-I377 PolarHBondContact O-N 2.88Å; I377-L379 HydrophobicContact CD1-CD2 3.68Å; I377-L379 HydrophobicContact CD1-CG 4.17Å; I377-L379 HydrophobicContact CG1-CD2 3.92Å; I377-L379 HydrophobicContact CG1-CG 4.09Å; I377-P394 HydrophobicContact CD1-CB 4.22Å; I377-P394 HydrophobicContact CD1-CG 3.83Å; I377-P394 HydrophobicContact CG1-CB 4.06Å; I377-P394 HydrophobicContact CG1-CG 4.22Å
378	T	94.9	Very high	86.4	Confident	4 Å²	4	61.6 Å²	61.6	3%	0.025	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.6	167	-50.3	0	0	0	0	109	F365 R367 P394 R395	F365-T378 HydrophobicContact CB-CG2 3.81Å; F365-T378 HydrophobicContact CD1-CG2 4.39Å; F365-T378 HydrophobicContact CD2-CG2 4.03Å; F365-T378 HydrophobicContact CG-CG2 3.83Å; R367-T378 HydrophobicContact CG-CG2 4.41Å; R367-T378 PolarHBondContact NE-OG1 2.79Å; R367-T378 VanDerWaalsContact NE-OG1 3.09Å; R367-T378 PolarHBondContact NH1-OG1 2.8Å; R367-T378 PolarHBondContact NH2-OG1 2.85Å; T378-P394 CarbonylContact O-C 3.58Å; T378-P394 WeakPolarHBondContact O-CA 3.18Å; T378-R395 WeakPolarHBondContact CB-O 3.28Å; T378-R395 HydrophobicContact CG2-CB 4.34Å; T378-R395 PolarHBondContact O-N 2.93Å
379	L	94.3	Very high	85.4	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	162.5	176.3	-63.1	176.8	0	0	0	109.2	W12 F365 F366 M368 I377 L392	W12-L379 HydrophobicContact CB-CD1 4.02Å; W12-L379 HydrophobicContact CG-CD1 3.92Å; F365-L379 VanDerWaalsContact CA-O 3.26Å; F365-L379 WeakPolarHBondContact CA-O 3.42Å; F366-L379 HydrophobicContact CD1-CB 4.23Å; F366-L379 HydrophobicContact CD2-CB 4.19Å; F366-L379 HydrophobicContact CE1-CB 3.65Å; F366-L379 HydrophobicContact CE2-CB 3.62Å; F366-L379 HydrophobicContact CE2-CD1 3.69Å; F366-L379 HydrophobicContact CE2-CG 4.22Å; F366-L379 HydrophobicContact CG-CB 4.48Å; F366-L379 HydrophobicContact CZ-CB 3.32Å; F366-L379 HydrophobicContact CZ-CD1 3.84Å; F366-L379 HydrophobicContact CZ-CG 4.22Å; F366-L379 PolarHBondContact N-O 2.87Å; F366-L379 PolarHBondContact O-N 2.76Å; M368-L379 HydrophobicContact SD-CD1 4.06Å; I377-L379 HydrophobicContact CD1-CD2 3.68Å; I377-L379 HydrophobicContact CD1-CG 4.17Å; I377-L379 HydrophobicContact CG1-CD2 3.92Å; I377-L379 HydrophobicContact CG1-CG 4.09Å; L379-L392 HydrophobicContact CB-CD1 4.28Å; L379-L392 HydrophobicContact CD1-CD1 4.02Å; L379-L392 HydrophobicContact CD2-CB 3.84Å; L379-L392 HydrophobicContact CD2-CD1 4.45Å; L379-L392 HydrophobicContact CG-CD1 4.49Å
380	E	93.9	Very high	84.8	Confident	32 Å²	32	69.5 Å²	69.5	15%	0.15	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.3	-175.3	179.7	-177.3	-157.2	0	0	110.1	N364 F365 S382 R395	N364-E380 WeakPolarHBondContact O-CA 3.25Å; F365-E380 HydrophobicContact CD1-CB 3.81Å; F365-E380 HydrophobicContact CD1-CG 4Å; F365-E380 HydrophobicContact CE1-CB 3.88Å; F365-E380 HydrophobicContact CE1-CG 3.86Å; E380-S382 PolarHBondContact O-N 3.15Å; E380-R395 HydrophobicContact CB-CG 4.02Å; E380-R395 IonicContact OE2-CZ 3.92Å; E380-R395 IonicContact OE2-NE 2.77Å; E380-R395 PolarHBondContact OE2-NE 3.16Å; E380-R395 IonicContact OE2-NH2 3.94Å; E380-R395 PolarHBondContact OE2-NH2 2.78Å
381	A	92.7	Very high	84.3	Confident	0 Å²	0	71 Å²	71	0%	0	35%	0.351	C	S	.	.			trans	-89.8	94.7	169.3	0	0	0	0	0	109.7	N364 F366 I419 V433 Y440 F442	N364-A381 HydrophobicContact CB-CB 4.38Å; N364-A381 VanDerWaalsContact CB-O 3.28Å; N364-A381 WeakPolarHBondContact CB-O 3.3Å; N364-A381 PolarHBondContact ND2-O 2.93Å; N364-A381 PolarHBondContact O-N 3.07Å; F366-A381 HydrophobicContact CE1-CB 4.49Å; A381-I419 HydrophobicContact CB-CD1 4.05Å; A381-V433 HydrophobicContact CB-CG1 4.23Å; A381-Y440 HydrophobicContact CB-CD1 4.31Å; A381-Y440 HydrophobicContact CB-CD2 3.87Å; A381-Y440 HydrophobicContact CB-CE2 4.09Å; A381-Y440 HydrophobicContact CB-CG 3.99Å; A381-F442 HydrophobicContact CB-CE2 4.44Å; A381-F442 HydrophobicContact CB-CZ 4.18Å
382	S	87.3	Confident	84	Confident	19 Å²	19	70.7 Å²	70.7	13%	0.133	35%	0.351	C	S	.	.			trans	-138.9	124.8	179.6	170	0	0	0	0	112.3	E380 E384 S385 S386	E380-S382 PolarHBondContact O-N 3.15Å; S382-E384 VanDerWaalsContact C-N 3.25Å; S382-E384 PolarHBondContact O-N 3.41Å; S382-E384 PolarHBondContact OG-N 2.77Å; S382-S385 PolarHBondContact O-N 3.32Å; S382-S385 VanDerWaalsContact O-N 3.13Å; S382-S385 PolarHBondContact O-OG 2.85Å; S382-S386 PolarHBondContact O-N 2.83Å; S382-S386 PolarHBondContact O-OG 2.88Å
383	R	77.3	Confident	83.8	Confident	84 Å²	84	72.5 Å²	72.5	32%	0.317	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-58.6	-33.8	177.9	-147.6	-177.3	-112.9	-108.5	10.5	112.8	V17 G19 A20 I21 S385 S386 N438 Y440	V17-R383 HydrophobicContact CG1-CG 4.44Å; G19-R383 PolarHBondContact O-NH2 3.06Å; A20-R383 PolarHBondContact O-NH2 2.99Å; I21-R383 VanDerWaalsContact CG1-NH1 3.32Å; R383-S385 PolarHBondContact O-N 3.29Å; R383-S386 WeakPolarHBondContact CA-OG 3.34Å; R383-S386 VanDerWaalsContact O-CB 3.26Å; R383-S386 WeakPolarHBondContact O-CB 3.37Å; R383-S386 PolarHBondContact O-N 3.26Å; R383-N438 PolarHBondContact NH2-OD1 3.24Å; R383-Y440 PolarHBondContact N-OH 2.97Å
384	E	68.9	Low	83.7	Confident	191 Å²	191	73.3 Å²	73.3	89%	0.893	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-64.8	-27.1	179.5	-63.3	171.9	-177.8	0	0	112.8	S382	S382-E384 VanDerWaalsContact C-N 3.25Å; S382-E384 PolarHBondContact O-N 3.41Å; S382-E384 PolarHBondContact OG-N 2.77Å
385	S	60.8	Low	83.8	Confident	46 Å²	46	70.6 Å²	70.6	32%	0.322	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-97.7	4.1	176.4	64.3	0	0	0	0	113.9	S382 R383 K387	S382-S385 PolarHBondContact O-N 3.32Å; S382-S385 VanDerWaalsContact O-N 3.13Å; S382-S385 PolarHBondContact O-OG 2.85Å; R383-S385 PolarHBondContact O-N 3.29Å; S385-K387 PolarHBondContact O-N 3.13Å
386	S	65.8	Low	83.6	Confident	18 Å²	18	72.1 Å²	72.1	13%	0.126	36%	0.356	C	S	.	.			trans	-98.6	58.7	-167.3	-62.6	0	0	0	0	113.8	F14 S382 R383	F14-S386 WeakPolarHBondContact CD2-OG 3.37Å; F14-S386 WeakPolarHBondContact CE1-O 3.49Å; F14-S386 WeakPolarHBondContact CE2-OG 3.14Å; S382-S386 PolarHBondContact O-N 2.83Å; S382-S386 PolarHBondContact O-OG 2.88Å; R383-S386 WeakPolarHBondContact CA-OG 3.34Å; R383-S386 VanDerWaalsContact O-CB 3.26Å; R383-S386 WeakPolarHBondContact O-CB 3.37Å; R383-S386 PolarHBondContact O-N 3.26Å
387	K	75.2	Confident	83.3	Confident	166 Å²	166	69.4 Å²	69.4	72%	0.722	34%	0.342	S	S	*	.			trans	-70	138.5	163.3	-67.9	-176	-178.4	-177.9	0	108.4	S385 R389 A390	S385-K387 PolarHBondContact O-N 3.13Å; K387-R389 PolarHBondContact O-N 2.77Å; K387-A390 HydrophobicContact CB-CB 4.09Å; K387-A390 WeakPolarHBondContact O-CB 3.32Å; K387-A390 PolarHBondContact O-N 2.96Å
388	P	71.9	Confident	82.8	Confident	105 Å²	105	67.8 Å²	67.8	68%	0.682	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	127	176.2	-28.5	35.1	0	0	0	111.2	A390	P388-A390 PolarHBondContact O-N 3.29Å
389	R	75.1	Confident	81.9	Confident	149 Å²	149	73.1 Å²	73.1	56%	0.562	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	14.5	-176.8	-50.6	175.9	178.2	-178.6	-6.2	115.8	F14 K387 T391	F14-R389 VanDerWaalsContact O-CA 3.3Å; F14-R389 WeakPolarHBondContact O-CA 3.33Å; F14-R389 PolarHBondContact O-N 3.38Å; K387-R389 PolarHBondContact O-N 2.77Å; R389-T391 PolarHBondContact O-N 3.04Å
390	A	82.6	Confident	80.6	Confident	29 Å²	29	75.2 Å²	75.2	24%	0.24	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-65.7	127.3	170.1	0	0	0	0	0	109.7	C13 F14 K387 P388 L392	C13-A390 VanDerWaalsContact CA-O 3.3Å; C13-A390 WeakPolarHBondContact CA-O 3.39Å; F14-A390 PolarHBondContact N-O 3.15Å; K387-A390 HydrophobicContact CB-CB 4.09Å; K387-A390 WeakPolarHBondContact O-CB 3.32Å; K387-A390 PolarHBondContact O-N 2.96Å; P388-A390 PolarHBondContact O-N 3.29Å; A390-L392 PolarHBondContact O-N 2.86Å
391	T	85.6	Confident	79	Confident	56 Å²	56	78.1 Å²	78.1	34%	0.344	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-65.4	129.1	169.6	-59.9	0	0	0	0	109.6	Q11 W12 R389	Q11-T391 HydrophobicContact CG-CG2 3.45Å; Q11-T391 VanDerWaalsContact CG-CG2 3.45Å; Q11-T391 PolarHBondContact NE2-OG1 3.48Å; W12-T391 WeakPolarHBondContact O-CA 3.15Å; R389-T391 PolarHBondContact O-N 3.04Å
392	L	87.6	Confident	77.5	Confident	18 Å²	18	87.6 Å²	87.6	9%	0.094	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-67.7	138.1	174.2	-62.1	178.6	0	0	0	110.4	W12 F366 L379 A390 F442	W12-L392 HydrophobicContact CB-CD1 3.96Å; W12-L392 HydrophobicContact CB-CG 4.47Å; W12-L392 PolarHBondContact O-N 2.96Å; F366-L392 HydrophobicContact CZ-CD1 4.1Å; L379-L392 HydrophobicContact CB-CD1 4.28Å; L379-L392 HydrophobicContact CD1-CD1 4.02Å; L379-L392 HydrophobicContact CD2-CB 3.84Å; L379-L392 HydrophobicContact CD2-CD1 4.45Å; L379-L392 HydrophobicContact CG-CD1 4.49Å; A390-L392 PolarHBondContact O-N 2.86Å; L392-F442 HydrophobicContact CD1-CD1 3.6Å; L392-F442 HydrophobicContact CD1-CE1 3.74Å; L392-F442 HydrophobicContact CD1-CG 4.06Å; L392-F442 HydrophobicContact CD1-CZ 4.29Å; L392-F442 HydrophobicContact CD2-CD1 4.31Å; L392-F442 HydrophobicContact CD2-CE1 3.91Å; L392-F442 HydrophobicContact CG-CD1 4.22Å; L392-F442 HydrophobicContact CG-CE1 4.28Å
393	K	87.7	Confident	76.3	Confident	166 Å²	166	94.8 Å²	94.8	72%	0.722	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-95.4	133.6	176.1	-67.4	-176.2	-179.8	180	0	109.5	R395	K393-R395 PolarHBondContact O-N 3.48Å
394	P	89.3	Confident	76	Confident	83 Å²	83	97.6 Å²	97.6	54%	0.539	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-54.2	133.6	171.9	-20.8	27.3	0	0	0	111.3	I377 T378	I377-P394 HydrophobicContact CD1-CB 4.22Å; I377-P394 HydrophobicContact CD1-CG 3.83Å; I377-P394 HydrophobicContact CG1-CB 4.06Å; I377-P394 HydrophobicContact CG1-CG 4.22Å; T378-P394 CarbonylContact O-C 3.58Å; T378-P394 WeakPolarHBondContact O-CA 3.18Å
395	R	90.3	Very high	76	Confident	75 Å²	75	98 Å²	98	28%	0.283	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-97	149.7	170.3	-63	-56.2	-166.5	177	3.2	110.1	F365 T378 E380 K393	F365-R395 HydrophobicContact CE1-CB 4.24Å; F365-R395 HydrophobicContact CE1-CG 4.04Å; F365-R395 HydrophobicContact CZ-CB 4.33Å; F365-R395 HydrophobicContact CZ-CG 4.49Å; T378-R395 WeakPolarHBondContact CB-O 3.28Å; T378-R395 HydrophobicContact CG2-CB 4.34Å; T378-R395 PolarHBondContact O-N 2.93Å; E380-R395 HydrophobicContact CB-CG 4.02Å; E380-R395 IonicContact OE2-CZ 3.92Å; E380-R395 IonicContact OE2-NE 2.77Å; E380-R395 PolarHBondContact OE2-NE 3.16Å; E380-R395 IonicContact OE2-NH2 3.94Å; E380-R395 PolarHBondContact OE2-NH2 2.78Å; K393-R395 PolarHBondContact O-N 3.48Å
396	K	87.6	Confident	76.6	Confident	137 Å²	137	102 Å²	102	60%	0.596	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.5	174.3	-72.4	-172.9	-179.7	-174.7	0	109.4	E407 I408	K396-E407 HydrophobicContact CB-CG 3.92Å; K396-E407 WeakPolarHBondContact O-CA 3.48Å; K396-I408 PolarHBondContact O-N 3.28Å
397	V	87.4	Confident	77.5	Confident	30 Å²	30	102.6 Å²	102.6	18%	0.182	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	124.7	175.8	-176	0	0	0	0	108.4	Y328 F365 I408 V410 L413	Y328-V397 HydrophobicContact CD1-CB 3.92Å; Y328-V397 HydrophobicContact CD1-CG1 4.05Å; Y328-V397 HydrophobicContact CD1-CG2 4.46Å; Y328-V397 HydrophobicContact CD2-CB 4.5Å; Y328-V397 HydrophobicContact CD2-CG1 3.82Å; Y328-V397 HydrophobicContact CE1-CB 3.85Å; Y328-V397 HydrophobicContact CE1-CG1 4.22Å; Y328-V397 HydrophobicContact CE1-CG2 3.89Å; Y328-V397 HydrophobicContact CE2-CB 4.45Å; Y328-V397 HydrophobicContact CE2-CG1 4.01Å; Y328-V397 HydrophobicContact CE2-CG2 4.35Å; Y328-V397 HydrophobicContact CG-CB 4.25Å; Y328-V397 HydrophobicContact CG-CG1 3.85Å; F365-V397 HydrophobicContact CD2-CG2 4.31Å; F365-V397 HydrophobicContact CE2-CG2 3.79Å; V397-I408 CarbonylContact C-O 3.6Å; V397-I408 VanDerWaalsContact CA-O 3.31Å; V397-I408 WeakPolarHBondContact CA-O 3.45Å; V397-V410 HydrophobicContact CG1-CG2 3.63Å; V397-L413 HydrophobicContact CG1-CD1 4.32Å; V397-L413 HydrophobicContact CG2-CD2 4.42Å
398	S	82.9	Confident	78	Confident	13 Å²	13	96.1 Å²	96.1	9%	0.091	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	130.1	-180	61.7	0	0	0	0	110.8	I408 V410	S398-I408 PolarHBondContact N-O 2.79Å; S398-I408 PolarHBondContact OG-O 2.77Å; S398-V410 PolarHBondContact O-N 2.71Å
399	T	75.3	Confident	78.8	Confident	116 Å²	116	92.5 Å²	92.5	71%	0.712	48%	0.476	S	S	*	.			trans	-93.2	1	178.1	50.1	0	0	0	0	114	Y328 V410	Y328-T399 VanDerWaalsContact CB-CG2 3.4Å; T399-V410 HydrophobicContact CG2-CG2 3.96Å
400	G	67.3	Low	79.5	Confident	47 Å²	47	85.8 Å²	85.8	49%	0.485	45%	0.451	S	S	.	.	S	Bend	trans	-129.5	164.1	-173.5	0	0	0	0	0	114.8	K402	G400-K402 PolarHBondContact O-N 3.08Å
401	G	60.6	Low	79.7	Confident	92 Å²	92	90.2 Å²	90.2	95%	0.948	47%	0.471	S	S	*	.	S	Bend	trans	-71.7	-12.3	-169.8	0	0	0	0	0	117.3	R403	G401-R403 PolarHBondContact O-N 2.9Å
402	K	60.3	Low	79.9	Confident	200 Å²	200	91.1 Å²	91.1	87%	0.87	48%	0.48	S	S	*	.	S	Bend	trans	-93.4	88.5	173.7	-77.9	-170.4	179.5	179.7	0	110.2	G400	G400-K402 PolarHBondContact O-N 3.08Å
403	R	62.1	Low	80.1	Confident	170 Å²	170	90.9 Å²	90.9	64%	0.642	48%	0.478	S	S	*	.			trans	-68.6	125.3	176.5	-174.9	173.8	-177.9	-173.1	-0.7	111.2	G401 E407	G401-R403 PolarHBondContact O-N 2.9Å; R403-E407 PolarHBondContact NE-O 3.38Å
404	K	72.1	Confident	80.3	Confident	142 Å²	142	85.4 Å²	85.4	62%	0.617	46%	0.457	S	S	*	.			trans	-79.8	154.9	162.3	-66.4	-177.3	-169.9	157.9	0	110	D406 E407	K404-D406 PolarHBondContact O-N 3.43Å; K404-E407 HydrophobicContact CB-CB 4.42Å; K404-E407 HydrophobicContact CB-CG 4.09Å; K404-E407 WeakPolarHBondContact CD-OE1 3.5Å; K404-E407 IonicContact NZ-OE1 3.72Å; K404-E407 PolarHBondContact O-N 3.26Å
405	K	67.8	Low	80.5	Confident	199 Å²	199	83.7 Å²	83.7	87%	0.865	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-28.5	-171.9	-168.1	176.3	177	-178.5	0	114.5
406	D	74.1	Confident	80.6	Confident	130 Å²	130	86.6 Å²	86.6	70%	0.695	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	9.8	-176.5	-56.3	-49.6	0	0	0	114	K404	K404-D406 PolarHBondContact O-N 3.43Å
407	E	84.5	Confident	80.9	Confident	32 Å²	32	84.7 Å²	84.7	15%	0.15	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	144.6	177.8	-74.2	173.9	-176	0	0	111.7	K396 R403 K404	K396-E407 HydrophobicContact CB-CG 3.92Å; K396-E407 WeakPolarHBondContact O-CA 3.48Å; R403-E407 PolarHBondContact NE-O 3.38Å; K404-E407 HydrophobicContact CB-CB 4.42Å; K404-E407 HydrophobicContact CB-CG 4.09Å; K404-E407 WeakPolarHBondContact CD-OE1 3.5Å; K404-E407 IonicContact NZ-OE1 3.72Å; K404-E407 PolarHBondContact O-N 3.26Å
408	I	86.4	Confident	81.2	Confident	30 Å²	30	86.6 Å²	86.6	15%	0.154	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.9	178.8	-63	167.6	0	0	0	108.3	F365 K396 V397 S398 L413	F365-I408 HydrophobicContact CE1-CD1 4.33Å; F365-I408 HydrophobicContact CZ-CD1 3.62Å; K396-I408 PolarHBondContact O-N 3.28Å; V397-I408 CarbonylContact C-O 3.6Å; V397-I408 VanDerWaalsContact CA-O 3.31Å; V397-I408 WeakPolarHBondContact CA-O 3.45Å; S398-I408 PolarHBondContact N-O 2.79Å; S398-I408 PolarHBondContact OG-O 2.77Å; I408-L413 HydrophobicContact CG2-CD2 3.94Å
409	S	88.6	Confident	82	Confident	29 Å²	29	86 Å²	86	20%	0.203	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	145.6	176.8	-173.6	0	0	0	0	110.4	D411 S412	S409-D411 PolarHBondContact O-N 2.67Å; S409-D411 PolarHBondContact OG-N 2.77Å; S409-S412 PolarHBondContact O-N 2.62Å
410	V	88.8	Confident	83	Confident	8 Å²	8	82 Å²	82	5%	0.048	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-55.6	-38.9	171.6	179.7	0	0	0	0	111.2	Y328 L329 K332 V397 S398 T399 S412 L413	Y328-V410 HydrophobicContact CD2-CG1 4.5Å; Y328-V410 HydrophobicContact CD2-CG2 4.08Å; Y328-V410 HydrophobicContact CG-CG2 4.29Å; L329-V410 HydrophobicContact CD2-CG1 4.27Å; K332-V410 HydrophobicContact CG-CG1 4.07Å; V397-V410 HydrophobicContact CG1-CG2 3.63Å; S398-V410 PolarHBondContact O-N 2.71Å; T399-V410 HydrophobicContact CG2-CG2 3.96Å; V410-S412 PolarHBondContact O-N 3.27Å; V410-L413 HydrophobicContact CG1-CD1 4.36Å; V410-L413 WeakPolarHBondContact O-CB 3.49Å; V410-L413 WeakPolarHBondContact O-CG 3.02Å; V410-L413 PolarHBondContact O-N 3.29Å
411	D	87.2	Confident	84.5	Confident	121 Å²	121	81.1 Å²	81.1	65%	0.647	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-71.3	-9.2	179.8	-57.9	-48.4	0	0	0	113.5	K332 S409	K332-D411 VanDerWaalsContact CE-OD1 3.24Å; K332-D411 WeakPolarHBondContact CE-OD1 3.35Å; K332-D411 IonicContact NZ-OD1 2.86Å; K332-D411 PolarHBondContact NZ-OD1 2.77Å; S409-D411 PolarHBondContact O-N 2.67Å; S409-D411 PolarHBondContact OG-N 2.77Å
412	S	90	Very high	86.3	Confident	76 Å²	76	77 Å²	77	53%	0.531	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-104.8	6.4	178.6	-53.6	0	0	0	0	112.8	S409 V410	S409-S412 PolarHBondContact O-N 2.62Å; V410-S412 PolarHBondContact O-N 3.27Å
413	L	92.2	Very high	88	Confident	12 Å²	12	67.7 Å²	67.7	6%	0.063	33%	0.33	C	S	.	.			trans	-74.8	133.7	177.6	-63.2	176.1	0	0	0	110.4	Y328 L329 N363 F365 V397 I408 V410 F415	Y328-L413 HydrophobicContact CD2-CD1 4.07Å; Y328-L413 HydrophobicContact CE2-CD1 3.54Å; L329-L413 HydrophobicContact CD2-CD1 4.08Å; N363-L413 HydrophobicContact CB-CB 4.43Å; N363-L413 HydrophobicContact CB-CD2 3.81Å; F365-L413 HydrophobicContact CE2-CD2 3.77Å; F365-L413 HydrophobicContact CZ-CD2 4.47Å; V397-L413 HydrophobicContact CG1-CD1 4.32Å; V397-L413 HydrophobicContact CG2-CD2 4.42Å; I408-L413 HydrophobicContact CG2-CD2 3.94Å; V410-L413 HydrophobicContact CG1-CD1 4.36Å; V410-L413 WeakPolarHBondContact O-CB 3.49Å; V410-L413 WeakPolarHBondContact O-CG 3.02Å; V410-L413 PolarHBondContact O-N 3.29Å; L413-F415 HydrophobicContact CB-CZ 4.25Å
414	D	92.3	Very high	89.7	Confident	51 Å²	51	60.4 Å²	60.4	27%	0.273	30%	0.303	S	S	.	.			trans	-88.4	110.1	171.3	-173.5	-12.5	0	0	0	110.1	N363 N416 K417	N363-D414 WeakPolarHBondContact CA-O 3.4Å; N363-D414 PolarHBondContact N-O 3.49Å; N363-D414 PolarHBondContact OD1-N 2.95Å; N363-D414 VanDerWaalsContact OD1-N 3.11Å; D414-N416 VanDerWaalsContact C-N 3.34Å; D414-N416 WeakPolarHBondContact OD1-CB 3.48Å; D414-N416 PolarHBondContact OD1-N 3.24Å; D414-K417 HydrophobicContact CB-CB 4.23Å; D414-K417 HydrophobicContact CB-CD 4.1Å; D414-K417 HydrophobicContact CB-CG 4.31Å; D414-K417 PolarHBondContact O-N 2.94Å; D414-K417 PolarHBondContact OD1-N 3.19Å; D414-K417 VanDerWaalsContact OD2-CD 3.23Å; D414-K417 WeakPolarHBondContact OD2-CD 3.46Å; D414-K417 WeakPolarHBondContact OD2-CE 3.39Å; D414-K417 WeakPolarHBondContact OD2-CG 3.13Å; D414-K417 IonicContact OD2-NZ 3.16Å
415	F	93.3	Very high	90.9	Very high	47 Å²	47	54.1 Å²	54.1	21%	0.206	28%	0.275	C	S	.	.	S	Bend	trans	-78.4	-16	-179.6	-63.5	-73.2	0	0	0	113.5	L329 L336 Y362 L413 K417	L329-F415 HydrophobicContact CD1-CE1 4.4Å; L329-F415 HydrophobicContact CD2-CE1 3.73Å; L329-F415 HydrophobicContact CD2-CZ 3.97Å; L336-F415 HydrophobicContact CD2-CD1 3.68Å; L336-F415 HydrophobicContact CD2-CE1 3.59Å; L336-F415 HydrophobicContact CD2-CG 4.22Å; L336-F415 HydrophobicContact CD2-CZ 4.03Å; Y362-F415 HydrophobicContact CD1-CB 4.12Å; Y362-F415 AromaticContact CD1-CD1 3.73Å; Y362-F415 HydrophobicContact CD1-CD1 3.73Å; Y362-F415 HydrophobicContact CD1-CG 4.43Å; Y362-F415 WeakPolarHBondContact CD1-O 3.32Å; Y362-F415 AromaticContact CD2-CD1 3.93Å; Y362-F415 HydrophobicContact CD2-CD1 3.93Å; Y362-F415 HydrophobicContact CD2-CE1 4.19Å; Y362-F415 HydrophobicContact CE1-CB 4.43Å; Y362-F415 HydrophobicContact CE1-CD1 4.14Å; Y362-F415 HydrophobicContact CE2-CD1 4.32Å; Y362-F415 AromaticContact CG-CD1 3.6Å; Y362-F415 HydrophobicContact CG-CD1 3.6Å; Y362-F415 HydrophobicContact CG-CE1 4.2Å; L413-F415 HydrophobicContact CB-CZ 4.25Å; F415-K417 VanDerWaalsContact C-N 3.3Å
416	N	91.8	Very high	92.1	Very high	137 Å²	137	46 Å²	46	73%	0.733	24%	0.243	S	C	*	.	S	Bend	trans	-74.9	-27.1	173.2	-65.2	-40.8	0	0	0	111.3	D414 K418	D414-N416 VanDerWaalsContact C-N 3.34Å; D414-N416 WeakPolarHBondContact OD1-CB 3.48Å; D414-N416 PolarHBondContact OD1-N 3.24Å; N416-K418 PolarHBondContact O-N 3.29Å; N416-K418 VanDerWaalsContact O-N 3.14Å
417	K	93.6	Very high	93	Very high	97 Å²	97	47.4 Å²	47.4	42%	0.422	24%	0.243	S	C	.	.	S	Bend	trans	-82.8	80.2	174.6	-73.5	179.6	-172.1	170.4	0	110.6	Y362 N363 N364 D414 F415	Y362-K417 CarbonylContact C-O 3.56Å; Y362-K417 VanDerWaalsContact C-O 3.28Å; Y362-K417 WeakPolarHBondContact CA-O 3.44Å; N363-K417 CarbonylContact C-O 3.53Å; N363-K417 WeakPolarHBondContact CA-O 3.44Å; N363-K417 PolarHBondContact N-O 2.93Å; N364-K417 PolarHBondContact N-O 2.76Å; N364-K417 WeakPolarHBondContact OD1-CB 3.45Å; D414-K417 HydrophobicContact CB-CB 4.23Å; D414-K417 HydrophobicContact CB-CD 4.1Å; D414-K417 HydrophobicContact CB-CG 4.31Å; D414-K417 PolarHBondContact O-N 2.94Å; D414-K417 PolarHBondContact OD1-N 3.19Å; D414-K417 VanDerWaalsContact OD2-CD 3.23Å; D414-K417 WeakPolarHBondContact OD2-CD 3.46Å; D414-K417 WeakPolarHBondContact OD2-CE 3.39Å; D414-K417 WeakPolarHBondContact OD2-CG 3.13Å; D414-K417 IonicContact OD2-NZ 3.16Å; F415-K417 VanDerWaalsContact C-N 3.3Å
418	K	95.3	Very high	93.3	Very high	70 Å²	70	49.2 Å²	49.2	30%	0.304	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-110.4	135.8	-179.4	55.9	-168.8	177	-173.4	0	111.9	D344 Y362 N416 L420	D344-K418 IonicContact OD1-NZ 3.79Å; D344-K418 PolarHBondContact OD1-NZ 2.79Å; D344-K418 IonicContact OD2-NZ 3.98Å; Y362-K418 HydrophobicContact CD1-CB 4.02Å; Y362-K418 HydrophobicContact CE1-CB 4.23Å; N416-K418 PolarHBondContact O-N 3.29Å; N416-K418 VanDerWaalsContact O-N 3.14Å; K418-L420 HydrophobicContact CB-CD2 4.28Å; K418-L420 HydrophobicContact CB-CG 4.42Å; K418-L420 HydrophobicContact CD-CD1 4.08Å; K418-L420 HydrophobicContact CD-CD2 4.09Å; K418-L420 HydrophobicContact CD-CG 4.16Å; K418-L420 HydrophobicContact CG-CD1 4.3Å; K418-L420 HydrophobicContact CG-CD2 4.22Å; K418-L420 HydrophobicContact CG-CG 4.01Å
419	I	97.7	Very high	93.6	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.256	C	S	.	.			trans	-96	102.2	168.7	-70.4	170.3	0	0	0	106.8	F346 G360 S361 N364 F366 A381 T422 V433 A435	F346-I419 WeakPolarHBondContact CD1-O 3.46Å; F346-I419 WeakPolarHBondContact CE1-O 3.36Å; G360-I419 VanDerWaalsContact CA-O 3.29Å; G360-I419 WeakPolarHBondContact CA-O 3.4Å; S361-I419 PolarHBondContact O-N 2.8Å; N364-I419 HydrophobicContact CB-CD1 4.36Å; N364-I419 WeakPolarHBondContact O-CD1 3.47Å; F366-I419 HydrophobicContact CB-CD1 4.12Å; F366-I419 HydrophobicContact CD1-CD1 3.92Å; F366-I419 HydrophobicContact CG-CD1 4.49Å; A381-I419 HydrophobicContact CB-CD1 4.05Å; I419-T422 HydrophobicContact CG2-CG2 3.32Å; I419-V433 HydrophobicContact CD1-CG1 3.5Å; I419-V433 VanDerWaalsContact CD1-CG1 3.5Å; I419-V433 HydrophobicContact CG1-CG1 3.97Å; I419-V433 HydrophobicContact CG2-CG1 3.75Å; I419-A435 HydrophobicContact CG1-CB 4.4Å
420	L	97.8	Very high	93.9	Very high	31 Å²	31	48.8 Å²	48.8	16%	0.162	25%	0.247	C	C	.	.			trans	-94.4	-35.8	177.8	-60.3	-179.4	0	0	0	112.1	D344 F346 E347 K418	D344-L420 HydrophobicContact CB-CD2 4.09Å; F346-L420 HydrophobicContact CD1-CD2 3.84Å; F346-L420 HydrophobicContact CD2-CD2 4.49Å; F346-L420 HydrophobicContact CE1-CD2 3.75Å; F346-L420 HydrophobicContact CE2-CD2 4.41Å; F346-L420 HydrophobicContact CG-CD2 4.22Å; F346-L420 HydrophobicContact CZ-CD2 4.05Å; E347-L420 WeakPolarHBondContact CB-O 3.44Å; E347-L420 PolarHBondContact N-O 3.47Å; K418-L420 HydrophobicContact CB-CD2 4.28Å; K418-L420 HydrophobicContact CB-CG 4.42Å; K418-L420 HydrophobicContact CD-CD1 4.08Å; K418-L420 HydrophobicContact CD-CD2 4.09Å; K418-L420 HydrophobicContact CD-CG 4.16Å; K418-L420 HydrophobicContact CG-CD1 4.3Å; K418-L420 HydrophobicContact CG-CD2 4.22Å; K418-L420 HydrophobicContact CG-CG 4.01Å
421	H	97.9	Very high	94.2	Very high	29 Å²	29	48.4 Å²	48.4	13%	0.134	25%	0.245	C	C	.	.			trans	-116.2	125.3	-171.8	-48.2	-66.5	0	0	0	110.7	S32 V34 E347 A434	S32-H421 VanDerWaalsContact C-CD2 3.49Å; S32-H421 PolarHBondContact O-CE1 3.14Å; S32-H421 PolarHBondContact O-ND1 3.33Å; S32-H421 PolarHBondContact O-NE2 3.2Å; S32-H421 VanDerWaalsContact O-NE2 3.12Å; V34-H421 HydrophobicContact CG2-CB 4.18Å; E347-H421 VanDerWaalsContact CD-ND1 3.27Å; E347-H421 IonicContact OE1-CE1 2.77Å; E347-H421 IonicContact OE1-ND1 3.91Å; E347-H421 PolarHBondContact OE1-ND1 3.04Å; E347-H421 IonicContact OE2-ND1 2.72Å; E347-H421 PolarHBondContact OE2-ND1 3.28Å; H421-A434 HydrophobicContact CB-CB 4.24Å; H421-A434 PolarHBondContact O-N 2.8Å; H421-A434 VanDerWaalsContact O-N 3.11Å
422	T	97.8	Very high	94.7	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	144.3	179.2	68	0	0	0	0	110.1	M358 I419 A432 V433	M358-T422 HydrophobicContact CE-CG2 4.49Å; I419-T422 HydrophobicContact CG2-CG2 3.32Å; T422-A432 CarbonylContact C-O 3.5Å; T422-A432 WeakPolarHBondContact CA-O 3.15Å; T422-V433 HydrophobicContact CG2-CG1 4.42Å; T422-V433 HydrophobicContact CG2-CG2 4.46Å
423	A	97.8	Very high	95.1	Very high	6 Å²	6	39 Å²	39	5%	0.05	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.5	176.1	0	0	0	0	0	111	V34 F36 I431 A432	V34-A423 HydrophobicContact CB-CB 4.4Å; V34-A423 HydrophobicContact CG1-CB 3.9Å; F36-A423 HydrophobicContact CD2-CB 3.75Å; F36-A423 HydrophobicContact CE2-CB 3.96Å; A423-I431 WeakPolarHBondContact O-CA 3.45Å; A423-A432 HydrophobicContact CB-CB 4.45Å; A423-A432 PolarHBondContact N-O 2.72Å; A423-A432 PolarHBondContact O-N 2.88Å
424	W	97.4	Very high	95.3	Very high	17 Å²	17	38.6 Å²	38.6	6%	0.064	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	136.1	172.4	-155.1	-49.4	0	0	0	109.1	W12 F36 W350 N351 A356 M358 M368 E428 I431	W12-W424 HydrophobicContact CH2-CH2 4.49Å; W12-W424 AromaticContact CH2-CZ2 3.8Å; W12-W424 HydrophobicContact CH2-CZ2 3.8Å; W12-W424 HydrophobicContact CZ2-CH2 4.04Å; W12-W424 AromaticContact CZ2-CZ2 3.72Å; W12-W424 HydrophobicContact CZ2-CZ2 3.72Å; F36-W424 WeakPolarHBondContact CD2-O 3.5Å; W350-W424 WeakPolarHBondContact O-CB 3.43Å; N351-W424 HydrophobicContact CB-CD2 3.56Å; N351-W424 HydrophobicContact CB-CE3 3.82Å; N351-W424 HydrophobicContact CB-CG 4.21Å; N351-W424 HydrophobicContact CB-CH2 3.62Å; N351-W424 HydrophobicContact CB-CZ2 3.36Å; N351-W424 HydrophobicContact CB-CZ3 3.84Å; A356-W424 HydrophobicContact CB-CH2 3.72Å; A356-W424 HydrophobicContact CB-CZ3 4.14Å; M358-W424 HydrophobicContact CB-CE3 3.79Å; M358-W424 HydrophobicContact CB-CZ3 3.87Å; M368-W424 HydrophobicContact CE-CE3 4.24Å; M368-W424 HydrophobicContact CE-CH2 3.14Å; M368-W424 HydrophobicContact CE-CZ2 3.96Å; M368-W424 HydrophobicContact CE-CZ3 3.32Å; W424-E428 PolarHBondContact NE1-O 2.93Å; W424-I431 HydrophobicContact CB-CG2 4.38Å; W424-I431 HydrophobicContact CD2-CG2 3.65Å; W424-I431 HydrophobicContact CE3-CG2 4.12Å; W424-I431 HydrophobicContact CG-CG2 3.79Å; W424-I431 HydrophobicContact CZ2-CG2 4.49Å
425	H	96.7	Very high	95.3	Very high	10 Å²	10	36.3 Å²	36.3	5%	0.046	18%	0.175	C	C	.	.			trans	-57.9	134.7	172.7	-173.1	-82.3	0	0	0	111.3	F36 G40 Y71 K427 E428 V430	F36-H425 HydrophobicContact CE2-CB 4.35Å; F36-H425 HydrophobicContact CZ-CB 4.34Å; G40-H425 WeakPolarHBondContact CA-NE2 3.3Å; G40-H425 PolarHBondContact O-CD2 2.89Å; G40-H425 PolarHBondContact O-NE2 2.89Å; Y71-H425 PolarHBondContact OH-CD2 2.81Å; Y71-H425 VanDerWaalsContact OH-CD2 3.27Å; H425-K427 PolarHBondContact ND1-N 2.69Å; H425-K427 PolarHBondContact O-N 3.16Å; H425-E428 WeakPolarHBondContact ND1-CB 3.47Å; H425-E428 PolarHBondContact ND1-N 3.1Å; H425-V430 HydrophobicContact CB-CB 3.86Å; H425-V430 VanDerWaalsContact CB-O 3.23Å; H425-V430 WeakPolarHBondContact CB-O 2.91Å; H425-V430 PolarHBondContact N-O 2.91Å
426	P	93.9	Very high	95.2	Very high	29 Å²	29	36.6 Å²	36.6	19%	0.188	18%	0.181	C	C	.	.	S	Bend	trans	-64.7	-17.7	-170.2	24.8	-36.5	0	0	0	114.5	G352	G352-P426 WeakPolarHBondContact CA-O 3.46Å
427	K	91.3	Very high	95.1	Very high	158 Å²	158	30.7 Å²	30.7	69%	0.687	15%	0.149	S	C	*	.	S	Bend	trans	-132.6	-13.1	-174.1	-61.8	-179.7	-175.2	173.3	0	115.3	H425	H425-K427 PolarHBondContact ND1-N 2.69Å; H425-K427 PolarHBondContact O-N 3.16Å
428	E	91.8	Very high	95	Very high	70 Å²	70	27.1 Å²	27.1	33%	0.327	14%	0.135	S	C	.	.	S	Bend	trans	-133.3	161.7	-167.1	-59.5	-171.4	171.2	0	0	110.4	R68 W424 H425 V430	R68-E428 IonicContact CZ-OE2 2.75Å; R68-E428 IonicContact NH1-OE2 3.76Å; R68-E428 PolarHBondContact NH1-OE2 2.94Å; R68-E428 IonicContact NH2-OE2 2.68Å; W424-E428 PolarHBondContact NE1-O 2.93Å; H425-E428 WeakPolarHBondContact ND1-CB 3.47Å; H425-E428 PolarHBondContact ND1-N 3.1Å; E428-V430 HydrophobicContact CB-CG2 4.35Å; E428-V430 PolarHBondContact O-N 3.42Å
429	N	92.6	Very high	95.1	Very high	46 Å²	46	23.9 Å²	23.9	25%	0.246	12%	0.121	C	C	.	.	S	Bend	trans	-82.3	65.3	174.8	-62.2	-21.7	0	0	0	110	W12 Q443 D444	W12-N429 HydrophobicContact CH2-CB 3.96Å; W12-N429 HydrophobicContact CZ3-CB 4.37Å; W12-N429 WeakPolarHBondContact CZ3-O 3.28Å; N429-Q443 WeakPolarHBondContact O-CA 3.43Å; N429-D444 HydrophobicContact CB-CB 3.52Å; N429-D444 PolarHBondContact ND2-OD2 2.83Å; N429-D444 PolarHBondContact O-N 3.33Å
430	V	94.4	Very high	95	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.024	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.2	171.6	-179.6	0	0	0	0	107.3	F36 Y71 H425 E428 I441 F442 Q443	F36-V430 HydrophobicContact CZ-CG1 4.44Å; Y71-V430 HydrophobicContact CE2-CG1 4.22Å; H425-V430 HydrophobicContact CB-CB 3.86Å; H425-V430 VanDerWaalsContact CB-O 3.23Å; H425-V430 WeakPolarHBondContact CB-O 2.91Å; H425-V430 PolarHBondContact N-O 2.91Å; E428-V430 HydrophobicContact CB-CG2 4.35Å; E428-V430 PolarHBondContact O-N 3.42Å; V430-I441 HydrophobicContact CG1-CG2 3.9Å; V430-F442 WeakPolarHBondContact CA-O 3.43Å; V430-Q443 HydrophobicContact CG2-CB 4.22Å
431	I	96.3	Very high	94.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.1	179.1	59.4	173.4	0	0	0	110	W12 M358 F366 M368 A423 W424 V433 I441 F442	W12-I431 HydrophobicContact CD2-CD1 4.21Å; W12-I431 HydrophobicContact CE3-CD1 3.95Å; W12-I431 HydrophobicContact CE3-CG1 3.98Å; W12-I431 HydrophobicContact CH2-CD1 4.43Å; W12-I431 HydrophobicContact CH2-CG1 4.33Å; W12-I431 HydrophobicContact CH2-CG2 3.7Å; W12-I431 HydrophobicContact CZ2-CG2 4.44Å; W12-I431 HydrophobicContact CZ3-CB 4.36Å; W12-I431 HydrophobicContact CZ3-CD1 4.06Å; W12-I431 HydrophobicContact CZ3-CG1 3.75Å; W12-I431 HydrophobicContact CZ3-CG2 3.92Å; M358-I431 HydrophobicContact CE-CB 3.98Å; M358-I431 HydrophobicContact CE-CG2 3.94Å; M358-I431 HydrophobicContact SD-CB 4.01Å; M358-I431 HydrophobicContact SD-CD1 3.78Å; M358-I431 HydrophobicContact SD-CG1 4.46Å; M358-I431 HydrophobicContact SD-CG2 3.96Å; F366-I431 HydrophobicContact CD2-CD1 4.48Å; F366-I431 HydrophobicContact CE2-CD1 3.67Å; F366-I431 HydrophobicContact CZ-CD1 4.19Å; M368-I431 HydrophobicContact SD-CD1 4.36Å; A423-I431 WeakPolarHBondContact O-CA 3.45Å; W424-I431 HydrophobicContact CB-CG2 4.38Å; W424-I431 HydrophobicContact CD2-CG2 3.65Å; W424-I431 HydrophobicContact CE3-CG2 4.12Å; W424-I431 HydrophobicContact CG-CG2 3.79Å; W424-I431 HydrophobicContact CZ2-CG2 4.49Å; I431-V433 HydrophobicContact CD1-CG2 4.39Å; I431-I441 WeakPolarHBondContact O-CA 3.45Å; I431-F442 HydrophobicContact CD1-CB 3.97Å; I431-F442 HydrophobicContact CD1-CD2 3.92Å; I431-F442 HydrophobicContact CD1-CG 4.37Å; I431-F442 HydrophobicContact CG1-CB 3.65Å; I431-F442 HydrophobicContact CG1-CD2 4Å; I431-F442 HydrophobicContact CG1-CG 4.32Å; I431-F442 PolarHBondContact N-O 3.27Å; I431-F442 PolarHBondContact O-N 2.7Å
432	A	97.3	Very high	94.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.8	174.5	0	0	0	0	0	108.9	V34 F36 L43 T422 A423 L439 Y440	V34-A432 HydrophobicContact CG1-CB 3.85Å; F36-A432 HydrophobicContact CE2-CB 3.91Å; F36-A432 HydrophobicContact CZ-CB 4.02Å; L43-A432 HydrophobicContact CD1-CB 4.05Å; L43-A432 HydrophobicContact CD2-CB 3.83Å; T422-A432 CarbonylContact C-O 3.5Å; T422-A432 WeakPolarHBondContact CA-O 3.15Å; A423-A432 HydrophobicContact CB-CB 4.45Å; A423-A432 PolarHBondContact N-O 2.72Å; A423-A432 PolarHBondContact O-N 2.88Å; A432-L439 HydrophobicContact CB-CD1 4.22Å; A432-Y440 CarbonylContact C-O 3.56Å; A432-Y440 WeakPolarHBondContact CA-O 3.34Å
433	V	97.4	Very high	94.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	116.9	-174.4	177.2	0	0	0	0	108.5	M358 F366 A381 I419 T422 I431 Y440 F442	M358-V433 HydrophobicContact SD-CG2 4.42Å; F366-V433 HydrophobicContact CD1-CG1 4.25Å; F366-V433 HydrophobicContact CD1-CG2 4.43Å; F366-V433 HydrophobicContact CE1-CG2 4.48Å; F366-V433 HydrophobicContact CG-CG2 4.46Å; A381-V433 HydrophobicContact CB-CG1 4.23Å; I419-V433 HydrophobicContact CD1-CG1 3.5Å; I419-V433 VanDerWaalsContact CD1-CG1 3.5Å; I419-V433 HydrophobicContact CG1-CG1 3.97Å; I419-V433 HydrophobicContact CG2-CG1 3.75Å; T422-V433 HydrophobicContact CG2-CG1 4.42Å; T422-V433 HydrophobicContact CG2-CG2 4.46Å; I431-V433 HydrophobicContact CD1-CG2 4.39Å; V433-Y440 PolarHBondContact N-O 2.77Å; V433-Y440 PolarHBondContact O-N 3.37Å; V433-F442 HydrophobicContact CB-CE2 4.07Å; V433-F442 HydrophobicContact CG2-CD2 4.03Å; V433-F442 HydrophobicContact CG2-CE2 3.95Å
434	A	96.6	Very high	93.7	Very high	3 Å²	3	24 Å²	24	3%	0.025	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	127.3	174.3	0	0	0	0	0	110.4	I31 V34 H421	I31-A434 HydrophobicContact CB-CB 4Å; I31-A434 HydrophobicContact CD1-CB 4.38Å; I31-A434 HydrophobicContact CG2-CB 3.7Å; V34-A434 HydrophobicContact CG2-CB 3.79Å; H421-A434 HydrophobicContact CB-CB 4.24Å; H421-A434 PolarHBondContact O-N 2.8Å; H421-A434 VanDerWaalsContact O-N 3.11Å
435	A	93.9	Very high	92.6	Very high	3 Å²	3	27.8 Å²	27.8	3%	0.025	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	103	169.4	0	0	0	0	0	108.4	I419 N437 N438 Y440	I419-A435 HydrophobicContact CG1-CB 4.4Å; A435-N437 PolarHBondContact O-N 3.36Å; A435-N438 PolarHBondContact N-O 3.19Å; A435-N438 PolarHBondContact O-N 2.82Å; A435-Y440 HydrophobicContact CB-CD2 4.23Å; A435-Y440 HydrophobicContact CB-CE2 3.91Å
436	T	90.4	Very high	91.1	Very high	53 Å²	53	31.7 Å²	31.7	33%	0.325	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	-113.6	-173.8	-44.6	0	0	0	0	111.3	V25 I30 I31	V25-T436 HydrophobicContact CB-CG2 4.18Å; V25-T436 HydrophobicContact CG1-CG2 3.87Å; V25-T436 HydrophobicContact CG2-CG2 4.19Å; I30-T436 HydrophobicContact CD1-CG2 4.35Å; I30-T436 HydrophobicContact CG1-CG2 4.01Å; I31-T436 PolarHBondContact N-O 2.79Å
437	N	88.9	Confident	89	Confident	13 Å²	13	40.1 Å²	40.1	7%	0.07	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-1.8	175.1	63.8	-20.2	0	0	0	113.6	V25 D29 A435	V25-N437 HydrophobicContact CG1-CB 3.47Å; V25-N437 VanDerWaalsContact CG1-CB 3.47Å; V25-N437 WeakPolarHBondContact CG1-ND2 3.22Å; V25-N437 WeakPolarHBondContact CG2-ND2 3.35Å; V25-N437 WeakPolarHBondContact CG2-OD1 3.35Å; D29-N437 HydrophobicContact CB-CB 4.21Å; D29-N437 WeakPolarHBondContact O-CA 3.38Å; D29-N437 VanDerWaalsContact O-CB 3.24Å; D29-N437 WeakPolarHBondContact O-CB 3.45Å; A435-N437 PolarHBondContact O-N 3.36Å
438	N	93.3	Very high	88.9	Confident	22 Å²	22	34.2 Å²	34.2	12%	0.118	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.5	-178.5	-74	-72.5	0	0	0	110.4	V17 K18 A20 R383 A435 Y440	V17-N438 HydrophobicContact CG2-CB 4.03Å; K18-N438 CarbonylContact O-C 3.59Å; K18-N438 VanDerWaalsContact O-CA 3.26Å; K18-N438 WeakPolarHBondContact O-CA 3.03Å; A20-N438 PolarHBondContact O-OD1 3.46Å; R383-N438 PolarHBondContact NH2-OD1 3.24Å; A435-N438 PolarHBondContact N-O 3.19Å; A435-N438 PolarHBondContact O-N 2.82Å; N438-Y440 HydrophobicContact CB-CD2 4.17Å; N438-Y440 HydrophobicContact CB-CE2 3.54Å
439	L	95.6	Very high	88.8	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	111.3	169.3	-176.8	68.5	0	0	0	109.2	V17 K18 I31 V34 L43 T45 F55 A432	V17-L439 CarbonylContact C-O 3.43Å; V17-L439 WeakPolarHBondContact CA-O 2.92Å; K18-L439 HydrophobicContact CB-CB 4.3Å; K18-L439 PolarHBondContact N-O 2.87Å; K18-L439 PolarHBondContact O-N 2.94Å; I31-L439 HydrophobicContact CD1-CB 3.84Å; V34-L439 HydrophobicContact CG1-CD1 4.1Å; V34-L439 HydrophobicContact CG2-CD1 4.13Å; L43-L439 HydrophobicContact CD2-CD2 3.95Å; T45-L439 HydrophobicContact CG2-CD1 4Å; T45-L439 HydrophobicContact CG2-CD2 3.72Å; T45-L439 HydrophobicContact CG2-CG 4.4Å; F55-L439 HydrophobicContact CD2-CD2 4.1Å; F55-L439 HydrophobicContact CE2-CD2 3.67Å; F55-L439 HydrophobicContact CZ-CD2 4.14Å; A432-L439 HydrophobicContact CB-CD1 4.22Å
440	Y	95.4	Very high	88.6	Confident	9 Å²	9	31.6 Å²	31.6	4%	0.035	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	134.3	174.5	-67.2	-99.1	0	0	0	110.1	F14 V17 A381 R383 A432 V433 A435 N438 F442	F14-Y440 HydrophobicContact CD2-CD1 4.37Å; F14-Y440 AromaticContact CE2-CD1 3.94Å; F14-Y440 HydrophobicContact CE2-CD1 3.94Å; F14-Y440 HydrophobicContact CE2-CE1 4.42Å; V17-Y440 HydrophobicContact CB-CD1 4.3Å; V17-Y440 HydrophobicContact CB-CE1 4.31Å; V17-Y440 HydrophobicContact CG2-CD1 4.09Å; V17-Y440 HydrophobicContact CG2-CD2 4.46Å; V17-Y440 HydrophobicContact CG2-CE1 3.86Å; V17-Y440 HydrophobicContact CG2-CE2 4.25Å; V17-Y440 HydrophobicContact CG2-CG 4.38Å; A381-Y440 HydrophobicContact CB-CD1 4.31Å; A381-Y440 HydrophobicContact CB-CD2 3.87Å; A381-Y440 HydrophobicContact CB-CE2 4.09Å; A381-Y440 HydrophobicContact CB-CG 3.99Å; R383-Y440 PolarHBondContact N-OH 2.97Å; A432-Y440 CarbonylContact C-O 3.56Å; A432-Y440 WeakPolarHBondContact CA-O 3.34Å; V433-Y440 PolarHBondContact N-O 2.77Å; V433-Y440 PolarHBondContact O-N 3.37Å; A435-Y440 HydrophobicContact CB-CD2 4.23Å; A435-Y440 HydrophobicContact CB-CE2 3.91Å; N438-Y440 HydrophobicContact CB-CD2 4.17Å; N438-Y440 HydrophobicContact CB-CE2 3.54Å; Y440-F442 AromaticContact CD1-CZ 3.99Å; Y440-F442 HydrophobicContact CD1-CZ 3.99Å; Y440-F442 HydrophobicContact CG-CE2 4.46Å; Y440-F442 HydrophobicContact CG-CZ 4.09Å
441	I	94.8	Very high	88.2	Confident	2 Å²	2	33.2 Å²	33.2	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.2	173	-58	177.1	0	0	0	107.7	S15 Q16 L43 Y71 V430 I431	S15-I441 WeakPolarHBondContact CA-O 3.42Å; S15-I441 VanDerWaalsContact CB-O 3.22Å; S15-I441 WeakPolarHBondContact CB-O 3.44Å; S15-I441 PolarHBondContact N-O 2.96Å; Q16-I441 HydrophobicContact CB-CB 4.27Å; Q16-I441 HydrophobicContact CB-CD1 4.45Å; Q16-I441 PolarHBondContact N-O 2.74Å; Q16-I441 PolarHBondContact O-N 3.17Å; L43-I441 HydrophobicContact CD2-CD1 4.21Å; Y71-I441 HydrophobicContact CD2-CD1 3.94Å; Y71-I441 HydrophobicContact CD2-CG2 4.47Å; Y71-I441 HydrophobicContact CG-CD1 4.02Å; V430-I441 HydrophobicContact CG1-CG2 3.9Å; I431-I441 WeakPolarHBondContact O-CA 3.45Å
442	F	93.5	Very high	87.7	Confident	1 Å²	1	35.3 Å²	35.3	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	144.8	174.1	-50.5	-76.3	0	0	0	109.8	W12 C13 F14 F366 A381 L392 V430 I431 V433 Y440	W12-F442 HydrophobicContact CE3-CB 4.12Å; C13-F442 VanDerWaalsContact O-CA 3.31Å; C13-F442 WeakPolarHBondContact O-CA 3.37Å; F14-F442 HydrophobicContact CB-CD1 4.36Å; F14-F442 HydrophobicContact CB-CE1 4.37Å; F14-F442 HydrophobicContact CD2-CD1 4.34Å; F14-F442 AromaticContact CD2-CE1 3.87Å; F14-F442 HydrophobicContact CD2-CE1 3.87Å; F366-F442 HydrophobicContact CE1-CD2 4.35Å; F366-F442 AromaticContact CE1-CE2 3.74Å; F366-F442 HydrophobicContact CE1-CE2 3.74Å; F366-F442 HydrophobicContact CE1-CZ 4.24Å; F366-F442 AromaticContact CZ-CD2 3.89Å; F366-F442 HydrophobicContact CZ-CD2 3.89Å; F366-F442 AromaticContact CZ-CE2 3.75Å; F366-F442 HydrophobicContact CZ-CE2 3.75Å; F366-F442 HydrophobicContact CZ-CZ 4.41Å; A381-F442 HydrophobicContact CB-CE2 4.44Å; A381-F442 HydrophobicContact CB-CZ 4.18Å; L392-F442 HydrophobicContact CD1-CD1 3.6Å; L392-F442 HydrophobicContact CD1-CE1 3.74Å; L392-F442 HydrophobicContact CD1-CG 4.06Å; L392-F442 HydrophobicContact CD1-CZ 4.29Å; L392-F442 HydrophobicContact CD2-CD1 4.31Å; L392-F442 HydrophobicContact CD2-CE1 3.91Å; L392-F442 HydrophobicContact CG-CD1 4.22Å; L392-F442 HydrophobicContact CG-CE1 4.28Å; V430-F442 WeakPolarHBondContact CA-O 3.43Å; I431-F442 HydrophobicContact CD1-CB 3.97Å; I431-F442 HydrophobicContact CD1-CD2 3.92Å; I431-F442 HydrophobicContact CD1-CG 4.37Å; I431-F442 HydrophobicContact CG1-CB 3.65Å; I431-F442 HydrophobicContact CG1-CD2 4Å; I431-F442 HydrophobicContact CG1-CG 4.32Å; I431-F442 PolarHBondContact N-O 3.27Å; I431-F442 PolarHBondContact O-N 2.7Å; V433-F442 HydrophobicContact CB-CE2 4.07Å; V433-F442 HydrophobicContact CG2-CD2 4.03Å; V433-F442 HydrophobicContact CG2-CE2 3.95Å; Y440-F442 AromaticContact CD1-CZ 3.99Å; Y440-F442 HydrophobicContact CD1-CZ 3.99Å; Y440-F442 HydrophobicContact CG-CE2 4.46Å; Y440-F442 HydrophobicContact CG-CZ 4.09Å
443	Q	90.3	Very high	87.1	Confident	24 Å²	24	37.6 Å²	37.6	11%	0.112	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	149.2	178.9	64.3	-171.3	-8.8	0	0	110	C13 S15 R68 N429 V430	C13-Q443 PolarHBondContact N-O 3.18Å; C13-Q443 PolarHBondContact O-N 3.29Å; S15-Q443 PolarHBondContact OG-NE2 3.29Å; R68-Q443 VanDerWaalsContact CB-OE1 3.28Å; N429-Q443 WeakPolarHBondContact O-CA 3.43Å; V430-Q443 HydrophobicContact CG2-CB 4.22Å
444	D	86.6	Confident	86.3	Confident	39 Å²	39	40.3 Å²	40.3	21%	0.209	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	149.2	175.1	-162	9.6	0	0	0	111.3	Q11 N429 I446	Q11-D444 PolarHBondContact N-OD1 3.08Å; N429-D444 HydrophobicContact CB-CB 3.52Å; N429-D444 PolarHBondContact ND2-OD2 2.83Å; N429-D444 PolarHBondContact O-N 3.33Å; D444-I446 PolarHBondContact O-N 3.33Å
445	K	75	Confident	85.6	Confident	96 Å²	96	43.2 Å²	43.2	42%	0.417	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-71.7	119.3	-179	-168	178.5	173.8	-169.5	0	109.3	Q11 N447	Q11-K445 HydrophobicContact CB-CB 4.02Å; Q11-K445 HydrophobicContact CG-CB 4.11Å; Q11-K445 HydrophobicContact CG-CD 4.14Å; Q11-K445 WeakPolarHBondContact O-CB 3.3Å; Q11-K445 PolarHBondContact O-N 3.12Å; K445-N447 PolarHBondContact O-N 2.95Å
446	I	64.7	Low	84.9	Confident	92 Å²	92	46.5 Å²	46.5	47%	0.472	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-71.5	120.8	168.3	-51.2	173.1	0	0	0	107	R68 D444	R68-I446 HydrophobicContact CB-CD1 4.43Å; R68-I446 HydrophobicContact CG-CD1 3.84Å; D444-I446 PolarHBondContact O-N 3.33Å
447	N	49.8	Very low	84.3	Confident	205 Å²	205	45.9 Å²	45.9	100%	1.096	23%	0.232	S	C	*	.			trans	-75.8	0	172.8	-83.4	-25.9	0	0	0	111.8	K445	K445-N447 PolarHBondContact O-N 2.95Å

Retrieved 447 of 447 residues in 3322.2 ms (Link to these results)

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