A0A087YAH3_POEFO Loading...

Guanine nucleotide binding protein (G protein), beta polypeptide 3a

AlphaFold DB , UniProt , Accession A0A087YAH3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 340 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	64.4	Low	92.6	Very high	176 Å²	176	113.1 Å²	113.1	87%	0.867	57%	0.566	S	S	*	*				0	126	0	-157.7	172.5	-67.2	0	0	105.5	E5 K9	M1-E5 HydrophobicContact CG-CB 4.1Å; M1-E5 HydrophobicContact CG-CG 3.79Å; M1-E5 HydrophobicContact SD-CG 4.19Å; M1-K9 HydrophobicContact SD-CD 4.23Å; M1-K9 PolarHBondContact SD-NZ 2.73Å
2	G	92	Very high	92.9	Very high	49 Å²	49	110.9 Å²	110.9	51%	0.505	55%	0.553	S	S	.	*			trans	-67	149.8	-176.1	0	0	0	0	0	111.4	M4 E5 Q6	G2-M4 PolarHBondContact O-N 2.79Å; G2-E5 WeakPolarHBondContact O-CB 3.44Å; G2-E5 PolarHBondContact O-N 3.34Å; G2-Q6 PolarHBondContact O-N 2.7Å
3	E	94.3	Very high	93.3	Very high	157 Å²	157	106.6 Å²	106.6	73%	0.734	54%	0.54	S	S	*	.	H	α-helix	trans	-50.4	-40.7	179.3	-175.4	178.6	177.6	0	0	112.6	E5 Q6 L7	E3-E5 PolarHBondContact O-N 2.95Å; E3-Q6 WeakPolarHBondContact O-CB 3.49Å; E3-Q6 PolarHBondContact O-N 3.14Å; E3-L7 HydrophobicContact CG-CD1 4.47Å; E3-L7 WeakPolarHBondContact O-CG 3.29Å; E3-L7 PolarHBondContact O-N 3.05Å
4	M	94.1	Very high	93.7	Very high	162 Å²	162	105.1 Å²	105.1	80%	0.798	53%	0.533	S	S	*	.	H	α-helix	trans	-61.1	-40.2	176.8	-172.2	-172.6	-65	0	0	113.3	G2 Q6 L7 R8	G2-M4 PolarHBondContact O-N 2.79Å; M4-Q6 VanDerWaalsContact C-N 3.33Å; M4-L7 PolarHBondContact O-N 3.12Å; M4-R8 WeakPolarHBondContact O-CB 3.42Å; M4-R8 PolarHBondContact O-N 3.26Å
5	E	95.4	Very high	93.8	Very high	78 Å²	78	107.4 Å²	107.4	36%	0.364	54%	0.538	S	S	.	.	H	α-helix	trans	-70.8	-33.6	179.2	-178.4	62.2	-166.9	0	0	111	M1 G2 E3 K9	M1-E5 HydrophobicContact CG-CB 4.1Å; M1-E5 HydrophobicContact CG-CG 3.79Å; M1-E5 HydrophobicContact SD-CG 4.19Å; G2-E5 WeakPolarHBondContact O-CB 3.44Å; G2-E5 PolarHBondContact O-N 3.34Å; E3-E5 PolarHBondContact O-N 2.95Å; E5-K9 WeakPolarHBondContact O-CG 3.48Å; E5-K9 PolarHBondContact O-N 2.74Å; E5-K9 VanDerWaalsContact O-N 3.1Å; E5-K9 WeakPolarHBondContact OE1-CE 2.8Å; E5-K9 IonicContact OE1-NZ 3.4Å
6	Q	96.2	Very high	94	Very high	122 Å²	122	107.8 Å²	107.8	57%	0.57	54%	0.543	S	S	*	.	H	α-helix	trans	-65.5	-48	174.2	-177.8	174.3	-6.7	0	0	111.2	G2 E3 M4 R8 K9 E10	G2-Q6 PolarHBondContact O-N 2.7Å; E3-Q6 WeakPolarHBondContact O-CB 3.49Å; E3-Q6 PolarHBondContact O-N 3.14Å; M4-Q6 VanDerWaalsContact C-N 3.33Å; Q6-R8 VanDerWaalsContact C-N 3.32Å; Q6-R8 PolarHBondContact O-N 3.35Å; Q6-K9 PolarHBondContact O-N 3.33Å; Q6-E10 WeakPolarHBondContact O-CB 3.2Å; Q6-E10 PolarHBondContact O-N 2.8Å
7	L	97	Very high	94.3	Very high	98 Å²	98	108.2 Å²	108.2	51%	0.513	54%	0.542	S	S	.	.	H	α-helix	trans	-62.2	-38.4	177.2	-70.5	172.4	0	0	0	112.3	E3 M4 E10 A11	E3-L7 HydrophobicContact CG-CD1 4.47Å; E3-L7 WeakPolarHBondContact O-CG 3.29Å; E3-L7 PolarHBondContact O-N 3.05Å; M4-L7 PolarHBondContact O-N 3.12Å; L7-E10 PolarHBondContact O-N 3.47Å; L7-A11 WeakPolarHBondContact O-CB 3.4Å; L7-A11 PolarHBondContact O-N 2.91Å
8	R	95.9	Very high	94.5	Very high	154 Å²	154	106.8 Å²	106.8	58%	0.581	54%	0.536	S	S	*	.	H	α-helix	trans	-61.4	-48.1	175.4	-177.4	-178.7	174.7	164.8	3.8	111.7	M4 Q6 E10 A11 E12	M4-R8 WeakPolarHBondContact O-CB 3.42Å; M4-R8 PolarHBondContact O-N 3.26Å; Q6-R8 VanDerWaalsContact C-N 3.32Å; Q6-R8 PolarHBondContact O-N 3.35Å; R8-E10 VanDerWaalsContact C-N 3.31Å; R8-E10 PolarHBondContact O-N 2.92Å; R8-A11 PolarHBondContact O-N 3.43Å; R8-E12 IonicContact CZ-OE1 2.76Å; R8-E12 IonicContact NE-OE1 3.97Å; R8-E12 PolarHBondContact NE-OE1 3.16Å; R8-E12 IonicContact NH2-OE1 2.87Å; R8-E12 WeakPolarHBondContact O-CG 3.46Å; R8-E12 PolarHBondContact O-N 3.04Å
9	K	96.1	Very high	94.6	Very high	95 Å²	95	105.7 Å²	105.7	41%	0.413	54%	0.535	S	S	.	.	H	α-helix	trans	-63.2	-38.5	177.5	-74.2	178.9	-177.7	179.6	0	112.4	M1 E5 Q6 E12 S13	M1-K9 HydrophobicContact SD-CD 4.23Å; M1-K9 PolarHBondContact SD-NZ 2.73Å; E5-K9 WeakPolarHBondContact O-CG 3.48Å; E5-K9 PolarHBondContact O-N 2.74Å; E5-K9 VanDerWaalsContact O-N 3.1Å; E5-K9 WeakPolarHBondContact OE1-CE 2.8Å; E5-K9 IonicContact OE1-NZ 3.4Å; Q6-K9 PolarHBondContact O-N 3.33Å; K9-E12 PolarHBondContact O-N 3.26Å; K9-S13 VanDerWaalsContact O-CB 3.31Å; K9-S13 WeakPolarHBondContact O-CB 3.23Å; K9-S13 PolarHBondContact O-N 2.83Å
10	E	97.6	Very high	94.7	Very high	107 Å²	107	103.5 Å²	103.5	50%	0.5	53%	0.533	S	S	.	.	H	α-helix	trans	-62.7	-45.2	174.8	-174.7	175.1	-176.9	0	0	111.2	Q6 L7 R8 E12 S13 L14	Q6-E10 WeakPolarHBondContact O-CB 3.2Å; Q6-E10 PolarHBondContact O-N 2.8Å; L7-E10 PolarHBondContact O-N 3.47Å; R8-E10 VanDerWaalsContact C-N 3.31Å; R8-E10 PolarHBondContact O-N 2.92Å; E10-E12 PolarHBondContact O-N 3.3Å; E10-S13 PolarHBondContact O-N 3.14Å; E10-L14 HydrophobicContact CG-CD1 4.28Å; E10-L14 WeakPolarHBondContact O-CG 3.28Å; E10-L14 PolarHBondContact O-N 3.07Å
11	A	95.8	Very high	94.9	Very high	46 Å²	46	101.3 Å²	101.3	38%	0.38	53%	0.531	S	S	.	.	H	α-helix	trans	-62.9	-42.1	176.7	0	0	0	0	0	112.8	L7 R8 L14 K15	L7-A11 WeakPolarHBondContact O-CB 3.4Å; L7-A11 PolarHBondContact O-N 2.91Å; R8-A11 PolarHBondContact O-N 3.43Å; A11-L14 PolarHBondContact O-N 2.82Å; A11-K15 WeakPolarHBondContact O-CG 3.31Å; A11-K15 PolarHBondContact O-N 3.3Å; A11-K15 VanDerWaalsContact O-N 3.09Å
12	E	96.3	Very high	96.4	Very high	87 Å²	87	94.7 Å²	94.7	41%	0.407	50%	0.496	S	S	.	.	H	α-helix	trans	-62.7	-45.8	174.5	-72.9	171.9	-172.9	0	0	111	R8 K9 E10 L14 K15 D16	R8-E12 IonicContact CZ-OE1 2.76Å; R8-E12 IonicContact NE-OE1 3.97Å; R8-E12 PolarHBondContact NE-OE1 3.16Å; R8-E12 IonicContact NH2-OE1 2.87Å; R8-E12 WeakPolarHBondContact O-CG 3.46Å; R8-E12 PolarHBondContact O-N 3.04Å; K9-E12 PolarHBondContact O-N 3.26Å; E10-E12 PolarHBondContact O-N 3.3Å; E12-L14 PolarHBondContact O-N 3.31Å; E12-K15 WeakPolarHBondContact O-CB 3.48Å; E12-K15 PolarHBondContact O-N 3.44Å; E12-K15 VanDerWaalsContact O-N 3.16Å; E12-D16 PolarHBondContact O-N 3.19Å
13	S	97.9	Very high	96.6	Very high	55 Å²	55	99.9 Å²	99.9	39%	0.385	51%	0.505	S	S	.	.	H	α-helix	trans	-59.2	-42.2	175.8	178.3	0	0	0	0	113	K9 E10 D16 Q17	K9-S13 VanDerWaalsContact O-CB 3.31Å; K9-S13 WeakPolarHBondContact O-CB 3.23Å; K9-S13 PolarHBondContact O-N 2.83Å; E10-S13 PolarHBondContact O-N 3.14Å; S13-D16 PolarHBondContact O-N 2.98Å; S13-Q17 VanDerWaalsContact O-CG 3.31Å; S13-Q17 WeakPolarHBondContact O-CG 3.43Å; S13-Q17 PolarHBondContact O-N 2.92Å; S13-Q17 PolarHBondContact OG-NE2 2.81Å
14	L	98.1	Very high	96.8	Very high	85 Å²	85	96.5 Å²	96.5	45%	0.445	50%	0.504	S	S	.	.	H	α-helix	trans	-65.2	-38.5	176.5	-73.6	170.3	0	0	0	112	E10 A11 E12 D16 Q17 I18	E10-L14 HydrophobicContact CG-CD1 4.28Å; E10-L14 WeakPolarHBondContact O-CG 3.28Å; E10-L14 PolarHBondContact O-N 3.07Å; A11-L14 PolarHBondContact O-N 2.82Å; E12-L14 PolarHBondContact O-N 3.31Å; L14-D16 VanDerWaalsContact C-N 3.34Å; L14-Q17 PolarHBondContact O-N 3.47Å; L14-I18 VanDerWaalsContact O-CG1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.41Å; L14-I18 PolarHBondContact O-N 3.03Å
15	K	96	Very high	96.9	Very high	140 Å²	140	93.1 Å²	93.1	61%	0.609	49%	0.492	S	S	*	.	H	α-helix	trans	-63.4	-40.7	174.5	-72.9	175.2	-178	-176.9	0	111.9	A11 E12 I18 T19	A11-K15 WeakPolarHBondContact O-CG 3.31Å; A11-K15 PolarHBondContact O-N 3.3Å; A11-K15 VanDerWaalsContact O-N 3.09Å; E12-K15 WeakPolarHBondContact O-CB 3.48Å; E12-K15 PolarHBondContact O-N 3.44Å; E12-K15 VanDerWaalsContact O-N 3.16Å; K15-I18 PolarHBondContact O-N 2.87Å; K15-T19 WeakPolarHBondContact O-CB 3.26Å; K15-T19 PolarHBondContact O-N 3.17Å; K15-T19 PolarHBondContact O-OG1 3.13Å
16	D	97.3	Very high	96.9	Very high	114 Å²	114	94.6 Å²	94.6	61%	0.61	50%	0.499	S	S	*	.	H	α-helix	trans	-65.1	-41.5	176.7	-70.6	-18.2	0	0	0	111.3	E12 S13 L14 T19 A20	E12-D16 PolarHBondContact O-N 3.19Å; S13-D16 PolarHBondContact O-N 2.98Å; L14-D16 VanDerWaalsContact C-N 3.34Å; D16-T19 PolarHBondContact O-N 3.17Å; D16-A20 WeakPolarHBondContact O-CB 3.48Å; D16-A20 PolarHBondContact O-N 3.36Å
17	Q	98.2	Very high	96.8	Very high	115 Å²	115	96 Å²	96	54%	0.537	51%	0.51	S	S	.	.	H	α-helix	trans	-61.4	-44.3	175	-71.8	172.2	37.6	0	0	112.1	S13 L14 A20 A21	S13-Q17 VanDerWaalsContact O-CG 3.31Å; S13-Q17 WeakPolarHBondContact O-CG 3.43Å; S13-Q17 PolarHBondContact O-N 2.92Å; S13-Q17 PolarHBondContact OG-NE2 2.81Å; L14-Q17 PolarHBondContact O-N 3.47Å; Q17-A20 PolarHBondContact O-N 3.43Å; Q17-A21 WeakPolarHBondContact O-CB 3.32Å; Q17-A21 PolarHBondContact O-N 2.84Å
18	I	97.7	Very high	96.8	Very high	83 Å²	83	94.5 Å²	94.5	43%	0.426	51%	0.505	S	S	.	.	H	α-helix	trans	-61.8	-45.6	175.8	-69.3	165	0	0	0	110.4	L14 K15 A20 A21 R22	L14-I18 VanDerWaalsContact O-CG1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.41Å; L14-I18 PolarHBondContact O-N 3.03Å; K15-I18 PolarHBondContact O-N 2.87Å; I18-A20 VanDerWaalsContact C-N 3.34Å; I18-A20 PolarHBondContact O-N 2.93Å; I18-A21 PolarHBondContact O-N 3.16Å; I18-R22 HydrophobicContact CG2-CG 4.45Å; I18-R22 WeakPolarHBondContact O-CG 3.46Å; I18-R22 PolarHBondContact O-N 3.5Å
19	T	96.3	Very high	96.8	Very high	86 Å²	86	89.7 Å²	89.7	53%	0.528	49%	0.493	S	S	.	.	H	α-helix	trans	-61.3	-43.6	179	-57.5	0	0	0	0	111.3	K15 D16 K23	K15-T19 WeakPolarHBondContact O-CB 3.26Å; K15-T19 PolarHBondContact O-N 3.17Å; K15-T19 PolarHBondContact O-OG1 3.13Å; D16-T19 PolarHBondContact O-N 3.17Å; T19-K23 WeakPolarHBondContact O-CB 3.4Å; T19-K23 PolarHBondContact O-N 3Å
20	A	97.7	Very high	96.8	Very high	60 Å²	60	87 Å²	87	50%	0.496	48%	0.483	S	S	.	.	H	α-helix	trans	-64	-41.3	175.7	0	0	0	0	0	112.1	D16 Q17 I18 K23 A24	D16-A20 WeakPolarHBondContact O-CB 3.48Å; D16-A20 PolarHBondContact O-N 3.36Å; Q17-A20 PolarHBondContact O-N 3.43Å; I18-A20 VanDerWaalsContact C-N 3.34Å; I18-A20 PolarHBondContact O-N 2.93Å; A20-K23 PolarHBondContact O-N 3.3Å; A20-A24 WeakPolarHBondContact O-CB 3.43Å; A20-A24 PolarHBondContact O-N 3.24Å
21	A	98.1	Very high	96.6	Very high	58 Å²	58	85.7 Å²	85.7	48%	0.479	48%	0.477	S	S	.	.	H	α-helix	trans	-64.5	-44.6	177.6	0	0	0	0	0	112.3	Q17 I18 A24 V25	Q17-A21 WeakPolarHBondContact O-CB 3.32Å; Q17-A21 PolarHBondContact O-N 2.84Å; I18-A21 PolarHBondContact O-N 3.16Å; A21-A24 PolarHBondContact O-N 3.34Å; A21-V25 PolarHBondContact O-N 3.38Å
22	R	97.4	Very high	96.5	Very high	37 Å²	37	89.2 Å²	89.2	14%	0.14	49%	0.486	C	S	.	.	H	α-helix	trans	-59.8	-46.8	174.9	-72.8	172.7	178.1	177.1	-8.3	111.5	I18 A24 V25 Q26 T221 S223 D258 Q259	I18-R22 HydrophobicContact CG2-CG 4.45Å; I18-R22 WeakPolarHBondContact O-CG 3.46Å; I18-R22 PolarHBondContact O-N 3.5Å; R22-A24 VanDerWaalsContact C-N 3.31Å; R22-A24 PolarHBondContact O-N 3.22Å; R22-V25 VanDerWaalsContact O-CG2 3.26Å; R22-V25 WeakPolarHBondContact O-CG2 3.33Å; R22-V25 PolarHBondContact O-N 3.39Å; R22-Q26 PolarHBondContact O-N 2.92Å; R22-T221 PolarHBondContact NH2-O 2.85Å; R22-S223 PolarHBondContact NH1-OG 2.97Å; R22-D258 WeakPolarHBondContact CD-O 3.35Å; R22-D258 VanDerWaalsContact CZ-O 3.23Å; R22-D258 IonicContact CZ-OD2 3.83Å; R22-D258 VanDerWaalsContact CZ-OD2 3.24Å; R22-D258 PolarHBondContact NE-O 2.86Å; R22-D258 IonicContact NE-OD2 3.92Å; R22-D258 PolarHBondContact NE-OD2 2.87Å; R22-D258 PolarHBondContact NH2-O 2.89Å; R22-D258 IonicContact NH2-OD1 2.84Å; R22-D258 IonicContact NH2-OD2 3.99Å; R22-D258 PolarHBondContact NH2-OD2 2.86Å; R22-Q259 HydrophobicContact CG-CB 4.43Å; R22-Q259 PolarHBondContact O-NE2 2.94Å; R22-Q259 PolarHBondContact O-OE1 2.76Å
23	K	96.1	Very high	96.5	Very high	159 Å²	159	88.7 Å²	88.7	69%	0.691	50%	0.496	S	S	*	.	H	α-helix	trans	-62.7	-36	177	-173	175.1	-178.1	176.6	0	112.6	T19 A20 V25 Q26	T19-K23 WeakPolarHBondContact O-CB 3.4Å; T19-K23 PolarHBondContact O-N 3Å; A20-K23 PolarHBondContact O-N 3.3Å; K23-V25 PolarHBondContact O-N 3.25Å; K23-Q26 PolarHBondContact O-N 2.82Å
24	A	97.5	Very high	96.4	Very high	86 Å²	86	86.3 Å²	86.3	71%	0.711	48%	0.479	S	S	*	.	H	α-helix	trans	-66.3	-24.7	179.4	0	0	0	0	0	113.3	A20 A21 R22	A20-A24 WeakPolarHBondContact O-CB 3.43Å; A20-A24 PolarHBondContact O-N 3.24Å; A21-A24 PolarHBondContact O-N 3.34Å; R22-A24 VanDerWaalsContact C-N 3.31Å; R22-A24 PolarHBondContact O-N 3.22Å
25	V	96.6	Very high	96.2	Very high	90 Å²	90	85.6 Å²	85.6	55%	0.545	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	4.6	178	-57.7	0	0	0	0	113.4	A21 R22 K23 D27	A21-V25 PolarHBondContact O-N 3.38Å; R22-V25 VanDerWaalsContact O-CG2 3.26Å; R22-V25 WeakPolarHBondContact O-CG2 3.33Å; R22-V25 PolarHBondContact O-N 3.39Å; K23-V25 PolarHBondContact O-N 3.25Å; V25-D27 PolarHBondContact O-N 2.92Å; V25-D27 VanDerWaalsContact O-N 3.14Å
26	Q	94.3	Very high	96.2	Very high	110 Å²	110	83 Å²	83	51%	0.514	50%	0.499	S	S	.	.			trans	-85.2	77.4	176.4	-167.9	-179.1	12.7	0	0	110.1	R22 K23	R22-Q26 PolarHBondContact O-N 2.92Å; K23-Q26 PolarHBondContact O-N 2.82Å
27	D	95.9	Very high	96.1	Very high	151 Å²	151	81 Å²	81	81%	0.807	49%	0.488	S	S	*	.			trans	-86.2	-26	-173.8	64	-24.1	0	0	0	114.4	V25	V25-D27 PolarHBondContact O-N 2.92Å; V25-D27 VanDerWaalsContact O-N 3.14Å
28	T	96.4	Very high	96	Very high	66 Å²	66	81.1 Å²	81.1	41%	0.405	50%	0.496	S	S	.	.			trans	-149.7	173.8	176.2	-168.2	0	0	0	0	111.5	E32	T28-E32 WeakPolarHBondContact OG1-CB 3.41Å; T28-E32 PolarHBondContact OG1-OE2 3.27Å
29	T	95.8	Very high	95.9	Very high	54 Å²	54	79.4 Å²	79.4	33%	0.331	49%	0.489	S	S	.	.			trans	-106.7	158	171.2	64.3	0	0	0	0	111.3	Q31 E32 A33	T29-Q31 PolarHBondContact O-N 3.06Å; T29-E32 PolarHBondContact N-OE2 3.28Å; T29-E32 VanDerWaalsContact N-OE2 3.16Å; T29-E32 PolarHBondContact O-N 3.03Å; T29-E32 VanDerWaalsContact OG1-CG 3.28Å; T29-E32 WeakPolarHBondContact OG1-CG 3.26Å; T29-E32 PolarHBondContact OG1-N 2.75Å; T29-E32 PolarHBondContact OG1-OE2 2.81Å; T29-A33 PolarHBondContact O-N 2.87Å
30	L	95.6	Very high	95.9	Very high	38 Å²	38	77 Å²	77	20%	0.199	48%	0.475	C	S	.	.	H	α-helix	trans	-60.7	-35.6	176	-177	61.1	0	0	0	111.8	A33 A34 L252 I262 L300	L30-A33 PolarHBondContact O-N 3.07Å; L30-A34 VanDerWaalsContact O-CB 3.23Å; L30-A34 WeakPolarHBondContact O-CB 3.38Å; L30-A34 PolarHBondContact O-N 3.13Å; L30-L252 HydrophobicContact CD2-CD2 4.08Å; L30-I262 HydrophobicContact CB-CB 4.41Å; L30-I262 HydrophobicContact CD2-CB 4.13Å; L30-I262 HydrophobicContact CD2-CD1 4.28Å; L30-I262 HydrophobicContact CD2-CG2 3.7Å; L30-L300 HydrophobicContact CD1-CD2 4.28Å
31	Q	93.2	Very high	95.8	Very high	80 Å²	80	76.7 Å²	76.7	37%	0.374	48%	0.478	S	S	.	.	H	α-helix	trans	-64.4	-41	178.4	-64.9	96.6	-39.6	0	0	112.4	T29 A34 A35 I262	T29-Q31 PolarHBondContact O-N 3.06Å; Q31-A34 CarbonylContact O-C 3.58Å; Q31-A34 PolarHBondContact O-N 2.93Å; Q31-A35 PolarHBondContact O-N 2.83Å; Q31-A35 VanDerWaalsContact O-N 3.12Å; Q31-I262 HydrophobicContact CG-CD1 3.88Å
32	E	95.3	Very high	95.7	Very high	120 Å²	120	83.7 Å²	83.7	56%	0.561	49%	0.491	S	S	*	.	H	α-helix	trans	-65.9	-47.9	175	-74.3	169.3	168.1	0	0	111.2	T28 T29 A34 A35	T28-E32 WeakPolarHBondContact OG1-CB 3.41Å; T28-E32 PolarHBondContact OG1-OE2 3.27Å; T29-E32 PolarHBondContact N-OE2 3.28Å; T29-E32 VanDerWaalsContact N-OE2 3.16Å; T29-E32 PolarHBondContact O-N 3.03Å; T29-E32 VanDerWaalsContact OG1-CG 3.28Å; T29-E32 WeakPolarHBondContact OG1-CG 3.26Å; T29-E32 PolarHBondContact OG1-N 2.75Å; T29-E32 PolarHBondContact OG1-OE2 2.81Å; E32-A34 PolarHBondContact O-N 2.86Å; E32-A35 WeakPolarHBondContact O-CB 3.12Å; E32-A35 PolarHBondContact O-N 3.03Å
33	A	95.9	Very high	95.7	Very high	75 Å²	75	84 Å²	84	62%	0.62	50%	0.495	S	S	*	.	H	α-helix	trans	-60.2	-33.6	177.6	0	0	0	0	0	112.3	T29 L30	T29-A33 PolarHBondContact O-N 2.87Å; L30-A33 PolarHBondContact O-N 3.07Å
34	A	95.5	Very high	95.6	Very high	5 Å²	5	82.7 Å²	82.7	4%	0.041	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	11.6	177.7	0	0	0	0	0	113.8	L30 Q31 E32 G36 I37 L300 K301	L30-A34 VanDerWaalsContact O-CB 3.23Å; L30-A34 WeakPolarHBondContact O-CB 3.38Å; L30-A34 PolarHBondContact O-N 3.13Å; Q31-A34 CarbonylContact O-C 3.58Å; Q31-A34 PolarHBondContact O-N 2.93Å; E32-A34 PolarHBondContact O-N 2.86Å; A34-G36 PolarHBondContact O-N 3.32Å; A34-G36 VanDerWaalsContact O-N 3.14Å; A34-I37 HydrophobicContact CB-CD1 4.23Å; A34-I37 WeakPolarHBondContact O-CB 3.36Å; A34-I37 PolarHBondContact O-N 2.79Å; A34-L300 HydrophobicContact CB-CB 4.13Å; A34-K301 WeakPolarHBondContact O-CE 3.33Å; A34-K301 PolarHBondContact O-NZ 2.98Å
35	A	93.9	Very high	95.6	Very high	71 Å²	71	80.8 Å²	80.8	59%	0.587	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-37.3	-172.4	0	0	0	0	0	113.5	Q31 E32 I37	Q31-A35 PolarHBondContact O-N 2.83Å; Q31-A35 VanDerWaalsContact O-N 3.12Å; E32-A35 WeakPolarHBondContact O-CB 3.12Å; E32-A35 PolarHBondContact O-N 3.03Å; A35-I37 VanDerWaalsContact C-N 3.27Å; A35-I37 PolarHBondContact O-N 2.85Å
36	G	95.3	Very high	95.7	Very high	85 Å²	85	82.8 Å²	82.8	88%	0.876	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-6.3	178.7	0	0	0	0	0	115.7	A34	A34-G36 PolarHBondContact O-N 3.32Å; A34-G36 VanDerWaalsContact O-N 3.14Å
37	I	96.3	Very high	95.9	Very high	73 Å²	73	80.1 Å²	80.1	37%	0.374	46%	0.461	S	S	.	.	S	Bend	trans	-91.2	135.3	180	-60.1	175.3	0	0	0	108.7	A34 A35 L300 K301	A34-I37 HydrophobicContact CB-CD1 4.23Å; A34-I37 WeakPolarHBondContact O-CB 3.36Å; A34-I37 PolarHBondContact O-N 2.79Å; A35-I37 VanDerWaalsContact C-N 3.27Å; A35-I37 PolarHBondContact O-N 2.85Å; I37-L300 HydrophobicContact CD1-CD1 3.73Å; I37-L300 HydrophobicContact CG2-CD1 4.2Å; I37-K301 WeakPolarHBondContact O-CE 3.43Å; I37-K301 PolarHBondContact O-NZ 2.52Å
38	T	95.4	Very high	96	Very high	117 Å²	117	79 Å²	79	72%	0.718	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-78.9	145.8	173.6	52.5	0	0	0	0	110.9	R283	T38-R283 PolarHBondContact O-NH2 3.29Å
39	V	95.1	Very high	96	Very high	46 Å²	46	80 Å²	80	28%	0.279	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-59.1	142	172.5	-174.6	0	0	0	0	109.2	G41 D298 K301 E303 V305	V39-G41 PolarHBondContact O-N 2.87Å; V39-D298 WeakPolarHBondContact CA-OD2 3.41Å; V39-D298 HydrophobicContact CG1-CB 4.46Å; V39-K301 HydrophobicContact CB-CG 4.49Å; V39-K301 HydrophobicContact CG2-CB 4.14Å; V39-K301 HydrophobicContact CG2-CD 4.38Å; V39-K301 HydrophobicContact CG2-CG 3.88Å; V39-E303 HydrophobicContact CG1-CB 4.06Å; V39-E303 WeakPolarHBondContact CG1-OE2 3.25Å; V39-E303 WeakPolarHBondContact CG2-OE2 3.3Å; V39-V305 HydrophobicContact CG1-CG1 3.74Å
40	V	95.8	Very high	96.1	Very high	36 Å²	36	78.8 Å²	78.8	22%	0.218	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-59.3	132.4	172.1	-175	0	0	0	0	109.1	I43 R283 L284 D298 V305	V40-I43 HydrophobicContact CG1-CD1 3.72Å; V40-I43 HydrophobicContact CG1-CG1 4.11Å; V40-R283 HydrophobicContact CG2-CG 3.72Å; V40-L284 HydrophobicContact CB-CD2 4.4Å; V40-L284 HydrophobicContact CG1-CD2 4.37Å; V40-L284 HydrophobicContact CG2-CD2 4.15Å; V40-D298 WeakPolarHBondContact CG2-OD2 3.33Å; V40-D298 PolarHBondContact N-OD2 3.34Å; V40-V305 HydrophobicContact CB-CG1 4.33Å; V40-V305 VanDerWaalsContact O-CG1 3.29Å; V40-V305 WeakPolarHBondContact O-CG1 3.32Å
41	G	95.5	Very high	96.3	Very high	54 Å²	54	77 Å²	77	56%	0.557	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-57.7	162.9	174.5	0	0	0	0	0	112.1	V39 I43	V39-G41 PolarHBondContact O-N 2.87Å; G41-I43 PolarHBondContact O-N 2.56Å
42	R	96.6	Very high	96.5	Very high	204 Å²	204	80.5 Å²	80.5	77%	0.77	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-52.7	118.1	-177.2	-174.7	178.2	178.7	178.3	3.9	111.7	Q44 V305	R42-Q44 HydrophobicContact CG-CG 4.28Å; R42-V305 CarbonylContact C-O 3.5Å; R42-V305 VanDerWaalsContact CA-O 3.31Å; R42-V305 WeakPolarHBondContact CA-O 3.25Å
43	I	97.1	Very high	96.6	Very high	43 Å²	43	76 Å²	76	22%	0.221	42%	0.423	C	S	.	.	B	Isolated β-bridge	trans	-85.5	122.5	177.8	-60.3	-59.3	0	0	0	109.3	V40 G41 M45 L284 I296 V305	V40-I43 HydrophobicContact CG1-CD1 3.72Å; V40-I43 HydrophobicContact CG1-CG1 4.11Å; G41-I43 PolarHBondContact O-N 2.56Å; I43-M45 HydrophobicContact CG2-CG 3.85Å; I43-M45 HydrophobicContact CG2-SD 4.46Å; I43-L284 HydrophobicContact CD1-CD1 4.47Å; I43-L284 HydrophobicContact CG1-CD1 4.26Å; I43-I296 HydrophobicContact CB-CD1 4.25Å; I43-I296 HydrophobicContact CG2-CD1 3.67Å; I43-V305 HydrophobicContact CG1-CB 4.47Å; I43-V305 HydrophobicContact CG1-CG2 3.97Å; I43-V305 PolarHBondContact N-O 3.41Å
44	Q	95.8	Very high	96.7	Very high	133 Å²	133	73 Å²	73	62%	0.621	40%	0.396	S	S	*	.			trans	-124.2	86.3	176.7	-65.2	-175.4	-0.6	0	0	109.5	R42	R42-Q44 HydrophobicContact CG-CG 4.28Å
45	M	97.2	Very high	96.7	Very high	45 Å²	45	79.4 Å²	79.4	22%	0.222	43%	0.429	C	S	.	.			trans	-80.9	149.4	172.1	-53	173.3	77.5	0	0	109.6	I43 M286 I296 L308 C327 W339	I43-M45 HydrophobicContact CG2-CG 3.85Å; I43-M45 HydrophobicContact CG2-SD 4.46Å; M45-M286 HydrophobicContact SD-SD 4.28Å; M45-I296 HydrophobicContact CG-CD1 4.46Å; M45-I296 HydrophobicContact SD-CD1 3.94Å; M45-L308 HydrophobicContact CB-CD2 3.69Å; M45-L308 HydrophobicContact CG-CD2 4.12Å; M45-L308 HydrophobicContact SD-CD1 4.31Å; M45-L308 HydrophobicContact SD-CD2 4.03Å; M45-C327 HydrophobicContact CE-CB 4.08Å; M45-W339 HydrophobicContact CB-CB 4.17Å; M45-W339 HydrophobicContact CE-CB 3.81Å; M45-W339 WeakPolarHBondContact CE-O 3.38Å; M45-W339 HydrophobicContact SD-CB 4.44Å
46	K	97.5	Very high	96.9	Very high	132 Å²	132	77.3 Å²	77.3	57%	0.574	41%	0.412	S	S	*	.			trans	-113.6	145.4	175.9	-66.3	-180	-179.7	178.9	0	109.6	R48 W339 N340	K46-R48 PolarHBondContact O-N 3.05Å; K46-R48 VanDerWaalsContact O-N 3.15Å; K46-W339 WeakPolarHBondContact O-CA 3.46Å; K46-N340 PolarHBondContact N-O 2.66Å; K46-N340 PolarHBondContact O-N 3.19Å
47	T	98.1	Very high	97.1	Very high	54 Å²	54	76.8 Å²	76.8	33%	0.331	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	117.2	167.8	-50	0	0	0	0	108.7	K49 K337 I338 W339	T47-K49 WeakPolarHBondContact CG2-O 3.26Å; T47-K337 HydrophobicContact CG2-CB 4.04Å; T47-K337 HydrophobicContact CG2-CD 4.27Å; T47-K337 HydrophobicContact CG2-CG 4.14Å; T47-I338 CarbonylContact C-O 3.57Å; T47-I338 WeakPolarHBondContact CA-O 3.48Å; T47-W339 WeakPolarHBondContact OG1-CH2 3.3Å; T47-W339 WeakPolarHBondContact OG1-CZ3 3.21Å
48	R	97.9	Very high	97.2	Very high	128 Å²	128	73.3 Å²	73.3	48%	0.483	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-36.4	175.4	-58	-51.9	173.8	165.2	2.1	112.2	K46 I338 N340	K46-R48 PolarHBondContact O-N 3.05Å; K46-R48 VanDerWaalsContact O-N 3.15Å; R48-I338 PolarHBondContact N-O 3.12Å; R48-N340 WeakPolarHBondContact CD-OD1 3.46Å; R48-N340 WeakPolarHBondContact CG-OD1 3.43Å; R48-N340 PolarHBondContact NE-O 3.2Å; R48-N340 PolarHBondContact NE-OD1 2.98Å; R48-N340 PolarHBondContact NH2-O 3.29Å
49	K	97.9	Very high	97.3	Very high	87 Å²	87	70.6 Å²	70.6	38%	0.378	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	148.5	-177.9	-54	-69.3	-176.8	169	0	110.1	T47 V85 T87 K337 I338	T47-K49 WeakPolarHBondContact CG2-O 3.26Å; K49-V85 WeakPolarHBondContact CE-O 3.34Å; K49-V85 PolarHBondContact NZ-O 2.83Å; K49-T87 HydrophobicContact CB-CG2 3.94Å; K49-T87 HydrophobicContact CD-CG2 3.7Å; K49-T87 HydrophobicContact CG-CG2 4.1Å; K49-K337 WeakPolarHBondContact O-CA 3.25Å; K49-I338 HydrophobicContact CB-CB 4.01Å; K49-I338 HydrophobicContact CB-CG1 4.01Å; K49-I338 PolarHBondContact N-O 2.86Å; K49-I338 PolarHBondContact O-N 2.98Å
50	T	98.2	Very high	97.5	Very high	28 Å²	28	69 Å²	69	17%	0.172	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	114.1	170.2	-55	0	0	0	0	107.8	R52 F335 L336 K337	T50-R52 HydrophobicContact CG2-CG 4.17Å; T50-R52 PolarHBondContact O-NH1 3.47Å; T50-F335 HydrophobicContact CG2-CB 4.23Å; T50-F335 HydrophobicContact CG2-CD1 4.08Å; T50-F335 HydrophobicContact CG2-CG 4.32Å; T50-L336 CarbonylContact C-O 3.5Å; T50-L336 WeakPolarHBondContact CA-O 3.24Å; T50-K337 HydrophobicContact CG2-CG 4.4Å
51	L	98.3	Very high	97.6	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	119.4	179	-48.8	-178.6	0	0	0	108.3	W82 T87 L336 I338	L51-W82 HydrophobicContact CB-CD2 4.11Å; L51-W82 HydrophobicContact CB-CE3 3.87Å; L51-W82 HydrophobicContact CB-CH2 4.27Å; L51-W82 HydrophobicContact CB-CZ3 3.95Å; L51-W82 HydrophobicContact CD1-CB 3.93Å; L51-W82 HydrophobicContact CD1-CD2 4Å; L51-W82 HydrophobicContact CD1-CE3 4.37Å; L51-W82 HydrophobicContact CD1-CG 3.81Å; L51-W82 HydrophobicContact CD2-CE3 4.42Å; L51-W82 HydrophobicContact CG-CE3 4.45Å; L51-T87 HydrophobicContact CD2-CG2 3.86Å; L51-L336 HydrophobicContact CB-CB 4.06Å; L51-L336 HydrophobicContact CB-CD1 4.38Å; L51-L336 HydrophobicContact CD1-CB 4.05Å; L51-L336 HydrophobicContact CG-CB 4.24Å; L51-L336 PolarHBondContact N-O 2.81Å; L51-L336 PolarHBondContact O-N 2.76Å; L51-I338 HydrophobicContact CD1-CD1 4.42Å
52	R	97.8	Very high	97.8	Very high	155 Å²	155	67.7 Å²	67.7	59%	0.585	31%	0.313	S	S	*	.			trans	-116.6	129.6	-176.2	-60.2	-173.2	174.8	77.9	-1.3	110.3	T50 W82 K89 F335	T50-R52 HydrophobicContact CG2-CG 4.17Å; T50-R52 PolarHBondContact O-NH1 3.47Å; R52-W82 WeakPolarHBondContact O-CH2 3.15Å; R52-K89 WeakPolarHBondContact O-CE 3.44Å; R52-K89 PolarHBondContact O-NZ 3.21Å; R52-F335 HydrophobicContact CB-CE1 4.44Å; R52-F335 HydrophobicContact CG-CD1 3.87Å; R52-F335 HydrophobicContact CG-CE1 3.8Å
53	G	96.6	Very high	97.9	Very high	25 Å²	25	58.6 Å²	58.6	26%	0.258	28%	0.279	S	S	.	.			trans	164.6	-19.4	174.8	0	0	0	0	0	116.5
54	H	98.3	Very high	97.9	Very high	13 Å²	13	56.8 Å²	56.8	6%	0.06	27%	0.27	C	S	.	.			trans	-73.2	148.9	168	-74.6	-61.6	0	0	0	110.8	I58 S72 S74 D76	H54-I58 HydrophobicContact CB-CD1 4.47Å; H54-I58 HydrophobicContact CB-CG1 4.21Å; H54-S72 PolarHBondContact NE2-OG 3.37Å; H54-S74 VanDerWaalsContact CE1-CB 3.4Å; H54-S74 WeakPolarHBondContact CE1-CB 3.41Å; H54-S74 WeakPolarHBondContact ND1-CB 3.49Å; H54-D76 VanDerWaalsContact CA-OD2 3.3Å; H54-D76 WeakPolarHBondContact CA-OD2 3.23Å; H54-D76 IonicContact CG-OD2 3.24Å; H54-D76 IonicContact ND1-OD1 2.81Å; H54-D76 PolarHBondContact ND1-OD1 2.81Å; H54-D76 IonicContact ND1-OD2 3.4Å; H54-D76 PolarHBondContact ND1-OD2 2.99Å
55	L	97.2	Very high	97.8	Very high	138 Å²	138	54.4 Å²	54.4	72%	0.723	27%	0.265	S	S	*	.	S	Bend	trans	-110.1	-2.6	-179.6	-58.2	178.6	0	0	0	112.6	D76	L55-D76 HydrophobicContact CB-CB 4.19Å; L55-D76 PolarHBondContact N-OD2 2.83Å
56	A	98	Very high	97.7	Very high	28 Å²	28	56 Å²	56	23%	0.231	27%	0.274	C	S	.	.	S	Bend	trans	-147.3	178.9	178.7	0	0	0	0	0	110.6	I58 S74 Q75 D76 S334	A56-I58 PolarHBondContact O-N 2.97Å; A56-S74 VanDerWaalsContact C-OG 3.31Å; A56-S74 PolarHBondContact O-OG 2.9Å; A56-Q75 HydrophobicContact CB-CB 4.24Å; A56-D76 HydrophobicContact CB-CB 3.93Å; A56-S334 WeakPolarHBondContact CA-OG 3.38Å; A56-S334 WeakPolarHBondContact O-CB 3.28Å; A56-S334 PolarHBondContact O-OG 3.23Å; A56-S334 VanDerWaalsContact O-OG 3.09Å
57	K	98.3	Very high	97.6	Very high	74 Å²	74	50.7 Å²	50.7	32%	0.322	25%	0.254	S	S	.	.			trans	-49	128.2	-178.7	-59.2	179.4	179.2	-175.3	0	111.9	Y59 S74 Q75 W332	K57-Y59 HydrophobicContact CB-CD2 4.35Å; K57-Y59 HydrophobicContact CB-CE2 4Å; K57-Y59 HydrophobicContact CD-CE2 4.48Å; K57-S74 VanDerWaalsContact O-CA 3.28Å; K57-S74 WeakPolarHBondContact O-CA 3.12Å; K57-S74 WeakPolarHBondContact O-CB 3.35Å; K57-S74 PolarHBondContact O-OG 3.34Å; K57-Q75 PolarHBondContact O-N 3.47Å; K57-W332 HydrophobicContact CB-CB 4.21Å; K57-W332 HydrophobicContact CB-CG 3.97Å; K57-W332 HydrophobicContact CD-CB 4.24Å; K57-W332 HydrophobicContact CD-CD2 3.77Å; K57-W332 HydrophobicContact CD-CE3 4.11Å; K57-W332 HydrophobicContact CD-CG 3.85Å; K57-W332 HydrophobicContact CG-CB 3.89Å; K57-W332 HydrophobicContact CG-CD2 4.36Å; K57-W332 HydrophobicContact CG-CG 3.9Å
58	I	98.7	Very high	97.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	141	169.3	-64.3	157.8	0	0	0	107.5	H54 A56 S316 S331 W332 S334 F335 L336	H54-I58 HydrophobicContact CB-CD1 4.47Å; H54-I58 HydrophobicContact CB-CG1 4.21Å; A56-I58 PolarHBondContact O-N 2.97Å; I58-S316 WeakPolarHBondContact O-CB 3.3Å; I58-S316 PolarHBondContact O-OG 3.48Å; I58-S331 WeakPolarHBondContact CB-O 3.4Å; I58-S331 PolarHBondContact N-O 3.42Å; I58-W332 VanDerWaalsContact O-CD1 3.25Å; I58-S334 VanDerWaalsContact CD1-C 3.41Å; I58-F335 WeakPolarHBondContact CD1-O 3.31Å; I58-L336 HydrophobicContact CD1-CD1 3.48Å; I58-L336 VanDerWaalsContact CD1-CD1 3.48Å; I58-L336 HydrophobicContact CD1-CG 3.86Å; I58-L336 HydrophobicContact CG1-CD1 4.5Å
59	Y	98.4	Very high	97.5	Very high	60 Å²	60	47.8 Å²	47.8	24%	0.235	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-45.2	178	-93.4	-108	0	0	0	111.5	K57 A73 Q75 M101 C317 W332	K57-Y59 HydrophobicContact CB-CD2 4.35Å; K57-Y59 HydrophobicContact CB-CE2 4Å; K57-Y59 HydrophobicContact CD-CE2 4.48Å; Y59-A73 PolarHBondContact N-O 3.28Å; Y59-Q75 HydrophobicContact CD2-CG 3.8Å; Y59-Q75 HydrophobicContact CE2-CG 3.63Å; Y59-Q75 PolarHBondContact OH-NE2 2.8Å; Y59-M101 HydrophobicContact CD1-CG 4.47Å; Y59-C317 WeakPolarHBondContact O-CB 3.3Å; Y59-W332 AromaticContact CE2-NE1 3.77Å; Y59-W332 AromaticContact CZ-NE1 3.99Å
60	A	98.4	Very high	97.5	Very high	13 Å²	13	43.6 Å²	43.6	11%	0.107	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	152.2	-176.1	0	0	0	0	0	111.5	S72 A73 M101 C103 C317	A60-S72 WeakPolarHBondContact O-CA 3.41Å; A60-A73 PolarHBondContact O-N 2.91Å; A60-M101 WeakPolarHBondContact CB-O 3.3Å; A60-C103 VanDerWaalsContact C-SG 3.57Å; A60-C317 VanDerWaalsContact C-SG 3.59Å
61	M	98.5	Very high	97.5	Very high	9 Å²	9	42.3 Å²	42.3	4%	0.044	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	150.8	166.9	72.9	79.9	50	0	0	109	W63 C70 V71 C317 C328 L336	M61-W63 HydrophobicContact CE-CD2 4.47Å; M61-W63 HydrophobicContact CE-CG 4.33Å; M61-C70 HydrophobicContact CE-CB 3.92Å; M61-V71 CarbonylContact C-O 3.56Å; M61-V71 WeakPolarHBondContact CA-O 3.38Å; M61-C317 HydrophobicContact CG-CB 4.07Å; M61-C317 VanDerWaalsContact CG-SG 3.54Å; M61-C328 HydrophobicContact CE-CB 3.48Å; M61-C328 VanDerWaalsContact CE-CB 3.48Å; M61-C328 VanDerWaalsContact CE-SG 3.56Å; M61-C328 HydrophobicContact SD-CB 4.19Å; M61-L336 HydrophobicContact CB-CD2 3.88Å; M61-L336 HydrophobicContact CG-CD2 4.34Å
62	H	98.6	Very high	97.6	Very high	52 Å²	52	42.3 Å²	42.3	24%	0.241	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	130.7	173.8	-166.1	-152.9	0	0	0	109.9	C70 V71 Y105	H62-C70 WeakPolarHBondContact O-CA 3.37Å; H62-V71 HydrophobicContact CB-CG1 4.07Å; H62-V71 PolarHBondContact N-O 3.44Å; H62-V71 PolarHBondContact O-N 3.03Å; H62-Y105 PolarHBondContact ND1-N 2.94Å; H62-Y105 VanDerWaalsContact ND1-N 3.1Å
63	W	98.3	Very high	97.6	Very high	14 Å²	14	34.9 Å²	34.9	5%	0.053	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	147.9	172	-76.3	105.7	0	0	0	111	M61 C70 S84 G319 A326 C328 I338	M61-W63 HydrophobicContact CE-CD2 4.47Å; M61-W63 HydrophobicContact CE-CG 4.33Å; W63-C70 HydrophobicContact CD2-CB 4.05Å; W63-C70 HydrophobicContact CE3-CB 3.77Å; W63-C70 HydrophobicContact CZ3-CB 4.2Å; W63-S84 WeakPolarHBondContact CZ3-OG 3.13Å; W63-G319 VanDerWaalsContact CD1-C 3.48Å; W63-G319 PolarHBondContact NE1-O 3.4Å; W63-A326 HydrophobicContact CZ2-CB 4.49Å; W63-C328 HydrophobicContact CZ2-CB 3.52Å; W63-I338 HydrophobicContact CH2-CD1 3.88Å; W63-I338 HydrophobicContact CZ2-CD1 3.86Å
64	S	97.1	Very high	97.7	Very high	5 Å²	5	33.7 Å²	33.7	4%	0.035	18%	0.175	C	C	.	.			trans	-79.9	160.5	162.6	-165.8	0	0	0	0	110.1	D66 S67 L69	S64-D66 WeakPolarHBondContact CB-OD1 3.33Å; S64-D66 PolarHBondContact O-N 2.92Å; S64-S67 PolarHBondContact O-N 3Å; S64-L69 VanDerWaalsContact CB-O 3.29Å; S64-L69 WeakPolarHBondContact CB-O 3.41Å; S64-L69 PolarHBondContact N-O 3.17Å
65	T	95.1	Very high	97.6	Very high	83 Å²	83	34.9 Å²	34.9	51%	0.509	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.4	179.3	47.6	0	0	0	0	113	S67 P107	T65-S67 PolarHBondContact O-N 3.49Å; T65-P107 HydrophobicContact CG2-CB 4.18Å; T65-P107 PolarHBondContact OG1-O 2.75Å
66	D	95.2	Very high	97.6	Very high	78 Å²	78	30 Å²	30	42%	0.417	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-2.2	176.8	73.5	-0.9	0	0	0	114.3	S64 K68 L69	S64-D66 WeakPolarHBondContact CB-OD1 3.33Å; S64-D66 PolarHBondContact O-N 2.92Å; D66-K68 PolarHBondContact O-N 3.19Å; D66-K68 PolarHBondContact OD1-N 3.38Å; D66-L69 PolarHBondContact OD1-N 3.5Å; D66-L69 WeakPolarHBondContact OD2-CG 3.38Å
67	S	95.8	Very high	97.5	Very high	20 Å²	20	29.1 Å²	29.1	14%	0.14	15%	0.149	C	C	.	.	S	Bend	trans	57.6	13.5	-177.5	-58.5	0	0	0	0	114.8	S64 T65 A322 D323	S64-S67 PolarHBondContact O-N 3Å; T65-S67 PolarHBondContact O-N 3.49Å; S67-A322 WeakPolarHBondContact OG-CB 3.39Å; S67-A322 PolarHBondContact OG-N 3.04Å; S67-A322 VanDerWaalsContact OG-N 3.11Å; S67-D323 VanDerWaalsContact CB-CG 3.43Å; S67-D323 WeakPolarHBondContact CB-OD2 3.36Å; S67-D323 PolarHBondContact OG-N 3.3Å
68	K	96.1	Very high	97.4	Very high	88 Å²	88	29.1 Å²	29.1	38%	0.383	15%	0.149	S	C	.	.	S	Bend	trans	-118.5	-48.9	-176.3	178	179.5	175.2	-174.3	0	111	D66 D83 S84 V85	D66-K68 PolarHBondContact O-N 3.19Å; D66-K68 PolarHBondContact OD1-N 3.38Å; K68-D83 WeakPolarHBondContact CE-OD1 3.37Å; K68-D83 WeakPolarHBondContact CE-OD2 3.3Å; K68-D83 IonicContact NZ-OD2 3.48Å; K68-D83 PolarHBondContact NZ-OD2 2.86Å; K68-S84 VanDerWaalsContact O-CB 3.28Å; K68-S84 WeakPolarHBondContact O-CB 3.21Å; K68-S84 PolarHBondContact O-N 2.91Å; K68-S84 PolarHBondContact O-OG 2.96Å; K68-V85 HydrophobicContact CG-CG2 4.11Å
69	L	97.7	Very high	97.4	Very high	33 Å²	33	29.1 Å²	29.1	17%	0.173	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	145.6	179.8	-61.1	-179.4	0	0	0	110.6	S64 D66 W82 D83 V90 Y105	S64-L69 VanDerWaalsContact CB-O 3.29Å; S64-L69 WeakPolarHBondContact CB-O 3.41Å; S64-L69 PolarHBondContact N-O 3.17Å; D66-L69 PolarHBondContact OD1-N 3.5Å; D66-L69 WeakPolarHBondContact OD2-CG 3.38Å; L69-W82 VanDerWaalsContact CA-O 3.27Å; L69-W82 WeakPolarHBondContact CA-O 3.42Å; L69-W82 WeakPolarHBondContact CD2-O 3.45Å; L69-D83 HydrophobicContact CD2-CB 4.13Å; L69-V90 HydrophobicContact CD2-CG2 3.95Å; L69-Y105 HydrophobicContact CB-CE2 4.2Å
70	C	97.9	Very high	97.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	150.5	168.2	66.7	0	0	0	0	110.3	M61 H62 W63 V81 W82	M61-C70 HydrophobicContact CE-CB 3.92Å; H62-C70 WeakPolarHBondContact O-CA 3.37Å; W63-C70 HydrophobicContact CD2-CB 4.05Å; W63-C70 HydrophobicContact CE3-CB 3.77Å; W63-C70 HydrophobicContact CZ3-CB 4.2Å; C70-V81 CarbonylContact O-C 3.52Å; C70-V81 WeakPolarHBondContact O-CA 3.39Å; C70-W82 PolarHBondContact N-O 3.26Å; C70-W82 VanDerWaalsContact N-O 3.1Å; C70-W82 PolarHBondContact O-N 3.23Å
71	V	98.6	Very high	97.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	143.4	173.2	65.7	0	0	0	0	109.6	M61 H62 L79 I80 V81 C103 Y105 V112	M61-V71 CarbonylContact C-O 3.56Å; M61-V71 WeakPolarHBondContact CA-O 3.38Å; H62-V71 HydrophobicContact CB-CG1 4.07Å; H62-V71 PolarHBondContact N-O 3.44Å; H62-V71 PolarHBondContact O-N 3.03Å; V71-L79 HydrophobicContact CG2-CD1 3.55Å; V71-L79 HydrophobicContact CG2-CD2 4.06Å; V71-L79 HydrophobicContact CG2-CG 3.55Å; V71-I80 CarbonylContact C-O 3.5Å; V71-I80 WeakPolarHBondContact CA-O 3.43Å; V71-V81 HydrophobicContact CB-CG2 4.38Å; V71-V81 HydrophobicContact CG2-CG2 4.14Å; V71-C103 HydrophobicContact CG1-CB 4.33Å; V71-Y105 HydrophobicContact CB-CD2 3.91Å; V71-Y105 HydrophobicContact CB-CE2 4.41Å; V71-Y105 HydrophobicContact CG1-CD2 3.9Å; V71-Y105 HydrophobicContact CG1-CG 4.46Å; V71-V112 HydrophobicContact CB-CG1 4.3Å; V71-V112 HydrophobicContact CG1-CG1 4.48Å; V71-V112 HydrophobicContact CG2-CG1 4.24Å
72	S	98.7	Very high	97.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.7	172.1	65.2	0	0	0	0	112	H54 A60 L79 I80 W82	H54-S72 PolarHBondContact NE2-OG 3.37Å; A60-S72 WeakPolarHBondContact O-CA 3.41Å; S72-L79 CarbonylContact O-C 3.59Å; S72-L79 WeakPolarHBondContact O-CA 3.01Å; S72-I80 PolarHBondContact N-O 2.93Å; S72-I80 PolarHBondContact O-N 2.96Å; S72-W82 PolarHBondContact OG-NE1 2.93Å
73	A	98.5	Very high	97.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.7	-179.5	0	0	0	0	0	111	Y59 A60 L79 V100 C103	Y59-A73 PolarHBondContact N-O 3.28Å; A60-A73 PolarHBondContact O-N 2.91Å; A73-L79 HydrophobicContact CB-CD1 3.72Å; A73-V100 HydrophobicContact CB-CB 4.35Å; A73-V100 HydrophobicContact CB-CG1 3.71Å; A73-V100 HydrophobicContact CB-CG2 3.68Å; A73-C103 HydrophobicContact CB-CB 3.9Å
74	S	98.3	Very high	97.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	154.9	-177.7	172.2	0	0	0	0	112.2	H54 A56 K57 D76 G77 K78 V100	H54-S74 VanDerWaalsContact CE1-CB 3.4Å; H54-S74 WeakPolarHBondContact CE1-CB 3.41Å; H54-S74 WeakPolarHBondContact ND1-CB 3.49Å; A56-S74 VanDerWaalsContact C-OG 3.31Å; A56-S74 PolarHBondContact O-OG 2.9Å; K57-S74 VanDerWaalsContact O-CA 3.28Å; K57-S74 WeakPolarHBondContact O-CA 3.12Å; K57-S74 WeakPolarHBondContact O-CB 3.35Å; K57-S74 PolarHBondContact O-OG 3.34Å; S74-D76 VanDerWaalsContact CB-OD1 3.3Å; S74-D76 WeakPolarHBondContact CB-OD1 3.45Å; S74-D76 PolarHBondContact O-N 3.29Å; S74-D76 VanDerWaalsContact O-N 3.09Å; S74-D76 PolarHBondContact OG-N 3.15Å; S74-D76 PolarHBondContact OG-OD1 2.89Å; S74-G77 PolarHBondContact O-N 2.77Å; S74-G77 VanDerWaalsContact O-N 3.12Å; S74-K78 PolarHBondContact N-O 2.8Å; S74-V100 WeakPolarHBondContact O-CG1 3.31Å
75	Q	97	Very high	97.1	Very high	37 Å²	37	27.3 Å²	27.3	17%	0.173	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-3.2	175	-74.9	-174.8	-22.6	0	0	114.7	A56 K57 Y59 G77 S98	A56-Q75 HydrophobicContact CB-CB 4.24Å; K57-Q75 PolarHBondContact O-N 3.47Å; Y59-Q75 HydrophobicContact CD2-CG 3.8Å; Y59-Q75 HydrophobicContact CE2-CG 3.63Å; Y59-Q75 PolarHBondContact OH-NE2 2.8Å; Q75-G77 PolarHBondContact O-N 3.15Å; Q75-S98 VanDerWaalsContact CA-O 3.25Å; Q75-S98 WeakPolarHBondContact CA-O 3.5Å
76	D	96.1	Very high	97.2	Very high	37 Å²	37	26.2 Å²	26.2	20%	0.198	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	3.1	168.2	67.8	5	0	0	0	112.9	H54 L55 A56 S74 K78	H54-D76 VanDerWaalsContact CA-OD2 3.3Å; H54-D76 WeakPolarHBondContact CA-OD2 3.23Å; H54-D76 IonicContact CG-OD2 3.24Å; H54-D76 IonicContact ND1-OD1 2.81Å; H54-D76 PolarHBondContact ND1-OD1 2.81Å; H54-D76 IonicContact ND1-OD2 3.4Å; H54-D76 PolarHBondContact ND1-OD2 2.99Å; L55-D76 HydrophobicContact CB-CB 4.19Å; L55-D76 PolarHBondContact N-OD2 2.83Å; A56-D76 HydrophobicContact CB-CB 3.93Å; S74-D76 VanDerWaalsContact CB-OD1 3.3Å; S74-D76 WeakPolarHBondContact CB-OD1 3.45Å; S74-D76 PolarHBondContact O-N 3.29Å; S74-D76 VanDerWaalsContact O-N 3.09Å; S74-D76 PolarHBondContact OG-N 3.15Å; S74-D76 PolarHBondContact OG-OD1 2.89Å; D76-K78 VanDerWaalsContact OD1-CB 3.23Å; D76-K78 WeakPolarHBondContact OD1-CB 3.23Å; D76-K78 PolarHBondContact OD1-N 3.05Å
77	G	96.3	Very high	97.3	Very high	9 Å²	9	25 Å²	25	9%	0.093	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	28.2	-178.7	0	0	0	0	0	112.7	S74 Q75 L95	S74-G77 PolarHBondContact O-N 2.77Å; S74-G77 VanDerWaalsContact O-N 3.12Å; Q75-G77 PolarHBondContact O-N 3.15Å; G77-L95 WeakPolarHBondContact O-CB 3.19Å; G77-L95 PolarHBondContact O-N 2.8Å
78	K	97.2	Very high	97.3	Very high	74 Å²	74	28.9 Å²	28.9	32%	0.322	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	140.7	176.8	-58.1	179.4	-177.1	169.4	0	112.2	S74 D76 I80 I93	S74-K78 PolarHBondContact N-O 2.8Å; D76-K78 VanDerWaalsContact OD1-CB 3.23Å; D76-K78 WeakPolarHBondContact OD1-CB 3.23Å; D76-K78 PolarHBondContact OD1-N 3.05Å; K78-I80 HydrophobicContact CB-CG1 4.21Å; K78-I93 WeakPolarHBondContact CA-O 3.46Å
79	L	97.6	Very high	97.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115.5	163.2	-168.9	74.1	0	0	0	107.8	V71 S72 A73 I93 L95 C103 V112 C114 Y124	V71-L79 HydrophobicContact CG2-CD1 3.55Å; V71-L79 HydrophobicContact CG2-CD2 4.06Å; V71-L79 HydrophobicContact CG2-CG 3.55Å; S72-L79 CarbonylContact O-C 3.59Å; S72-L79 WeakPolarHBondContact O-CA 3.01Å; A73-L79 HydrophobicContact CB-CD1 3.72Å; L79-I93 HydrophobicContact CB-CB 4.2Å; L79-I93 HydrophobicContact CD2-CD1 4.13Å; L79-I93 PolarHBondContact N-O 2.82Å; L79-I93 PolarHBondContact O-N 2.71Å; L79-L95 HydrophobicContact CB-CD1 4.42Å; L79-L95 HydrophobicContact CB-CD2 3.96Å; L79-L95 HydrophobicContact CB-CG 4.37Å; L79-C103 HydrophobicContact CD1-CB 3.54Å; L79-V112 HydrophobicContact CD2-CB 4.18Å; L79-V112 HydrophobicContact CD2-CG2 3.68Å; L79-C114 HydrophobicContact CD1-CB 4.16Å; L79-C114 HydrophobicContact CD2-CB 4.24Å; L79-Y124 HydrophobicContact CD2-CD2 4.38Å
80	I	98.3	Very high	97.2	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.3	-177.1	-56.5	178.1	0	0	0	109.2	V71 S72 K78 W82 K89 N91 A92	V71-I80 CarbonylContact C-O 3.5Å; V71-I80 WeakPolarHBondContact CA-O 3.43Å; S72-I80 PolarHBondContact N-O 2.93Å; S72-I80 PolarHBondContact O-N 2.96Å; K78-I80 HydrophobicContact CB-CG1 4.21Å; I80-W82 HydrophobicContact CB-CZ2 3.8Å; I80-W82 HydrophobicContact CD1-CH2 4.13Å; I80-W82 HydrophobicContact CD1-CZ2 3.72Å; I80-W82 HydrophobicContact CG1-CZ2 4.35Å; I80-W82 HydrophobicContact CG2-CD2 3.68Å; I80-W82 HydrophobicContact CG2-CE3 4.2Å; I80-W82 HydrophobicContact CG2-CG 4.17Å; I80-W82 HydrophobicContact CG2-CH2 4.06Å; I80-W82 HydrophobicContact CG2-CZ2 3.5Å; I80-W82 VanDerWaalsContact CG2-CZ2 3.5Å; I80-W82 HydrophobicContact CG2-CZ3 4.38Å; I80-W82 PolarHBondContact O-NE1 2.81Å; I80-K89 HydrophobicContact CG2-CB 4.2Å; I80-K89 HydrophobicContact CG2-CD 4.27Å; I80-K89 HydrophobicContact CG2-CG 3.97Å; I80-N91 WeakPolarHBondContact CA-O 3.37Å; I80-N91 WeakPolarHBondContact CG2-O 3.12Å; I80-A92 HydrophobicContact CG1-CB 4.49Å
81	V	97.9	Very high	97.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.5	169	-179	0	0	0	0	108.3	C70 V71 V90 N91 Y105 V112 L126	C70-V81 CarbonylContact O-C 3.52Å; C70-V81 WeakPolarHBondContact O-CA 3.39Å; V71-V81 HydrophobicContact CB-CG2 4.38Å; V71-V81 HydrophobicContact CG2-CG2 4.14Å; V81-V90 HydrophobicContact CB-CB 4.47Å; V81-V90 HydrophobicContact CG1-CB 4.22Å; V81-V90 PolarHBondContact O-N 3.38Å; V81-N91 HydrophobicContact CB-CB 4.07Å; V81-N91 HydrophobicContact CG2-CB 4.18Å; V81-N91 PolarHBondContact N-O 2.89Å; V81-N91 PolarHBondContact O-N 2.94Å; V81-Y105 HydrophobicContact CG1-CE2 3.95Å; V81-V112 HydrophobicContact CG2-CG1 4.38Å; V81-L126 HydrophobicContact CG2-CD1 4.21Å; V81-L126 HydrophobicContact CG2-CD2 4.17Å
82	W	98.4	Very high	96.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	147.6	-175.2	-50.7	85	0	0	0	110.9	L51 R52 L69 C70 S72 I80 N88 K89 L336	L51-W82 HydrophobicContact CB-CD2 4.11Å; L51-W82 HydrophobicContact CB-CE3 3.87Å; L51-W82 HydrophobicContact CB-CH2 4.27Å; L51-W82 HydrophobicContact CB-CZ3 3.95Å; L51-W82 HydrophobicContact CD1-CB 3.93Å; L51-W82 HydrophobicContact CD1-CD2 4Å; L51-W82 HydrophobicContact CD1-CE3 4.37Å; L51-W82 HydrophobicContact CD1-CG 3.81Å; L51-W82 HydrophobicContact CD2-CE3 4.42Å; L51-W82 HydrophobicContact CG-CE3 4.45Å; R52-W82 WeakPolarHBondContact O-CH2 3.15Å; L69-W82 VanDerWaalsContact CA-O 3.27Å; L69-W82 WeakPolarHBondContact CA-O 3.42Å; L69-W82 WeakPolarHBondContact CD2-O 3.45Å; C70-W82 PolarHBondContact N-O 3.26Å; C70-W82 VanDerWaalsContact N-O 3.1Å; C70-W82 PolarHBondContact O-N 3.23Å; S72-W82 PolarHBondContact OG-NE1 2.93Å; I80-W82 HydrophobicContact CB-CZ2 3.8Å; I80-W82 HydrophobicContact CD1-CH2 4.13Å; I80-W82 HydrophobicContact CD1-CZ2 3.72Å; I80-W82 HydrophobicContact CG1-CZ2 4.35Å; I80-W82 HydrophobicContact CG2-CD2 3.68Å; I80-W82 HydrophobicContact CG2-CE3 4.2Å; I80-W82 HydrophobicContact CG2-CG 4.17Å; I80-W82 HydrophobicContact CG2-CH2 4.06Å; I80-W82 HydrophobicContact CG2-CZ2 3.5Å; I80-W82 VanDerWaalsContact CG2-CZ2 3.5Å; I80-W82 HydrophobicContact CG2-CZ3 4.38Å; I80-W82 PolarHBondContact O-NE1 2.81Å; W82-N88 WeakPolarHBondContact CA-O 3.44Å; W82-K89 HydrophobicContact CE3-CG 3.83Å; W82-K89 HydrophobicContact CH2-CD 4.38Å; W82-K89 HydrophobicContact CH2-CG 4.15Å; W82-K89 HydrophobicContact CZ3-CD 4.2Å; W82-K89 HydrophobicContact CZ3-CG 3.55Å; W82-L336 HydrophobicContact CZ2-CD1 4.26Å
83	D	97.7	Very high	96.8	Very high	14 Å²	14	36.7 Å²	36.7	8%	0.075	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	109.8	157.1	178.1	-15.9	0	0	0	108.1	K68 L69 V85 T86 T87 N88 V90	K68-D83 WeakPolarHBondContact CE-OD1 3.37Å; K68-D83 WeakPolarHBondContact CE-OD2 3.3Å; K68-D83 IonicContact NZ-OD2 3.48Å; K68-D83 PolarHBondContact NZ-OD2 2.86Å; L69-D83 HydrophobicContact CD2-CB 4.13Å; D83-V85 PolarHBondContact O-N 3.05Å; D83-V85 WeakPolarHBondContact OD1-CB 3.45Å; D83-V85 PolarHBondContact OD1-N 3.47Å; D83-T86 WeakPolarHBondContact CB-OG1 3.4Å; D83-T86 PolarHBondContact OD1-N 2.59Å; D83-T86 PolarHBondContact OD2-OG1 3.34Å; D83-T87 WeakPolarHBondContact O-CA 3.49Å; D83-T87 PolarHBondContact O-N 3.3Å; D83-N88 PolarHBondContact N-O 3Å; D83-V90 HydrophobicContact CB-CG2 4.09Å
84	S	95.6	Very high	96.6	Very high	11 Å²	11	41.8 Å²	41.8	8%	0.077	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.1	-176.4	64.8	0	0	0	0	113.5	W63 K68	W63-S84 WeakPolarHBondContact CZ3-OG 3.13Å; K68-S84 VanDerWaalsContact O-CB 3.28Å; K68-S84 WeakPolarHBondContact O-CB 3.21Å; K68-S84 PolarHBondContact O-N 2.91Å; K68-S84 PolarHBondContact O-OG 2.96Å
85	V	95.3	Very high	96.4	Very high	87 Å²	87	43 Å²	43	53%	0.527	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-48.7	-178.5	179.4	0	0	0	0	110.1	K49 K68 D83	K49-V85 WeakPolarHBondContact CE-O 3.34Å; K49-V85 PolarHBondContact NZ-O 2.83Å; K68-V85 HydrophobicContact CG-CG2 4.11Å; D83-V85 PolarHBondContact O-N 3.05Å; D83-V85 WeakPolarHBondContact OD1-CB 3.45Å; D83-V85 PolarHBondContact OD1-N 3.47Å
86	T	96.8	Very high	96.1	Very high	61 Å²	61	48.5 Å²	48.5	37%	0.374	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-14.1	-176	64.1	0	0	0	0	113.6	D83 N88	D83-T86 WeakPolarHBondContact CB-OG1 3.4Å; D83-T86 PolarHBondContact OD1-N 2.59Å; D83-T86 PolarHBondContact OD2-OG1 3.34Å; T86-N88 PolarHBondContact O-N 3.38Å; T86-N88 WeakPolarHBondContact OG1-CB 3.47Å; T86-N88 PolarHBondContact OG1-N 3.22Å; T86-N88 PolarHBondContact OG1-ND2 2.91Å
87	T	96.9	Very high	95.8	Very high	53 Å²	53	48 Å²	48	33%	0.325	27%	0.27	S	S	.	.			trans	64.8	9.5	-172	70.6	0	0	0	0	114.9	K49 L51 D83	K49-T87 HydrophobicContact CB-CG2 3.94Å; K49-T87 HydrophobicContact CD-CG2 3.7Å; K49-T87 HydrophobicContact CG-CG2 4.1Å; L51-T87 HydrophobicContact CD2-CG2 3.86Å; D83-T87 WeakPolarHBondContact O-CA 3.49Å; D83-T87 PolarHBondContact O-N 3.3Å
88	N	97.3	Very high	95.6	Very high	100 Å²	100	50.1 Å²	50.1	54%	0.535	28%	0.283	S	S	.	.			trans	-74.1	145.8	179.1	-71.2	-24.8	0	0	0	111.2	W82 D83 T86 V90	W82-N88 WeakPolarHBondContact CA-O 3.44Å; D83-N88 PolarHBondContact N-O 3Å; T86-N88 PolarHBondContact O-N 3.38Å; T86-N88 WeakPolarHBondContact OG1-CB 3.47Å; T86-N88 PolarHBondContact OG1-N 3.22Å; T86-N88 PolarHBondContact OG1-ND2 2.91Å; N88-V90 PolarHBondContact O-N 3.11Å
89	K	96.7	Very high	95.4	Very high	105 Å²	105	53 Å²	53	46%	0.457	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	111.8	168.9	-59.1	179.4	-176.5	75	0	107.5	R52 I80 W82	R52-K89 WeakPolarHBondContact O-CE 3.44Å; R52-K89 PolarHBondContact O-NZ 3.21Å; I80-K89 HydrophobicContact CG2-CB 4.2Å; I80-K89 HydrophobicContact CG2-CD 4.27Å; I80-K89 HydrophobicContact CG2-CG 3.97Å; W82-K89 HydrophobicContact CE3-CG 3.83Å; W82-K89 HydrophobicContact CH2-CD 4.38Å; W82-K89 HydrophobicContact CH2-CG 4.15Å; W82-K89 HydrophobicContact CZ3-CD 4.2Å; W82-K89 HydrophobicContact CZ3-CG 3.55Å
90	V	95.1	Very high	95.4	Very high	74 Å²	74	53.2 Å²	53.2	45%	0.448	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	-46.2	176.7	-176.9	0	0	0	0	109.7	L69 V81 D83 N88	L69-V90 HydrophobicContact CD2-CG2 3.95Å; V81-V90 HydrophobicContact CB-CB 4.47Å; V81-V90 HydrophobicContact CG1-CB 4.22Å; V81-V90 PolarHBondContact O-N 3.38Å; D83-V90 HydrophobicContact CB-CG2 4.09Å; N88-V90 PolarHBondContact O-N 3.11Å
91	N	94.6	Very high	95.4	Very high	36 Å²	36	55.3 Å²	55.3	19%	0.193	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	146.8	175.8	-67.7	-67.6	0	0	0	110.3	I80 V81 I93 V133	I80-N91 WeakPolarHBondContact CA-O 3.37Å; I80-N91 WeakPolarHBondContact CG2-O 3.12Å; V81-N91 HydrophobicContact CB-CB 4.07Å; V81-N91 HydrophobicContact CG2-CB 4.18Å; V81-N91 PolarHBondContact N-O 2.89Å; V81-N91 PolarHBondContact O-N 2.94Å; N91-I93 HydrophobicContact CB-CG1 4.46Å; N91-V133 HydrophobicContact CB-CG2 4.28Å; N91-V133 WeakPolarHBondContact OD1-CG2 3.28Å
92	A	95.1	Very high	95.4	Very high	64 Å²	64	55.5 Å²	55.5	53%	0.529	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	104.8	169.4	0	0	0	0	0	108.4	I80	I80-A92 HydrophobicContact CG1-CB 4.49Å
93	I	95.6	Very high	95.4	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.036	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117.1	-171.2	-55.8	162.2	0	0	0	107.8	K78 L79 N91 V112 Y124 L126 V133	K78-I93 WeakPolarHBondContact CA-O 3.46Å; L79-I93 HydrophobicContact CB-CB 4.2Å; L79-I93 HydrophobicContact CD2-CD1 4.13Å; L79-I93 PolarHBondContact N-O 2.82Å; L79-I93 PolarHBondContact O-N 2.71Å; N91-I93 HydrophobicContact CB-CG1 4.46Å; I93-V112 HydrophobicContact CD1-CG2 3.86Å; I93-Y124 HydrophobicContact CD1-CG 4.44Å; I93-Y124 HydrophobicContact CG2-CD1 3.59Å; I93-Y124 HydrophobicContact CG2-CE1 3.45Å; I93-Y124 VanDerWaalsContact CG2-CE1 3.45Å; I93-Y124 HydrophobicContact CG2-CG 4.26Å; I93-L126 HydrophobicContact CD1-CD2 4Å; I93-V133 HydrophobicContact CD1-CG1 3.68Å; I93-V133 HydrophobicContact CG1-CB 4.19Å; I93-V133 HydrophobicContact CG1-CG1 3.78Å; I93-V133 HydrophobicContact CG1-CG2 4.44Å
94	P	95.2	Very high	95.4	Very high	106 Å²	106	54.8 Å²	54.8	69%	0.688	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	131.1	171.9	30.1	-32.2	0	0	0	109.8
95	L	94.7	Very high	95.5	Very high	26 Å²	26	54.8 Å²	54.8	14%	0.136	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-92.1	150.5	178.4	-56.9	-178.2	0	0	0	110.3	G77 L79 S97 V100 C114 Y124	G77-L95 WeakPolarHBondContact O-CB 3.19Å; G77-L95 PolarHBondContact O-N 2.8Å; L79-L95 HydrophobicContact CB-CD1 4.42Å; L79-L95 HydrophobicContact CB-CD2 3.96Å; L79-L95 HydrophobicContact CB-CG 4.37Å; L95-S97 VanDerWaalsContact CB-O 3.31Å; L95-S97 WeakPolarHBondContact CB-O 3.49Å; L95-V100 HydrophobicContact CD1-CB 3.92Å; L95-V100 HydrophobicContact CD1-CG1 4.17Å; L95-V100 HydrophobicContact CD1-CG2 4.06Å; L95-C114 WeakPolarHBondContact CD2-SG 3.35Å; L95-Y124 HydrophobicContact CD2-CE2 4.16Å; L95-Y124 VanDerWaalsContact CD2-OH 3.28Å; L95-Y124 WeakPolarHBondContact CD2-OH 3.4Å
96	K	89.1	Confident	95.6	Very high	153 Å²	153	50.7 Å²	50.7	67%	0.665	28%	0.275	S	S	*	.	S	Bend	trans	-69.9	-40.8	173.4	-69.8	179.7	178	174.5	0	111.4	E138	K96-E138 VanDerWaalsContact CE-OE1 3.32Å; K96-E138 WeakPolarHBondContact CE-OE1 3.46Å; K96-E138 VanDerWaalsContact NZ-CD 3.34Å; K96-E138 IonicContact NZ-OE1 3.2Å; K96-E138 PolarHBondContact NZ-OE1 3.15Å; K96-E138 IonicContact NZ-OE2 3.36Å; K96-E138 PolarHBondContact NZ-OE2 2.94Å
97	S	91.4	Very high	95.6	Very high	26 Å²	26	50 Å²	50	18%	0.182	27%	0.271	C	S	.	.			trans	-102.8	133.3	174.7	-177.1	0	0	0	0	110.1	L95 W99 D118	L95-S97 VanDerWaalsContact CB-O 3.31Å; L95-S97 WeakPolarHBondContact CB-O 3.49Å; S97-W99 VanDerWaalsContact C-N 3.33Å; S97-W99 PolarHBondContact OG-N 2.81Å; S97-D118 WeakPolarHBondContact CB-OD2 3.5Å
98	S	91.4	Very high	95.5	Very high	53 Å²	53	49.8 Å²	49.8	37%	0.371	27%	0.272	S	S	.	.	S	Bend	trans	-75.4	-24.6	174.1	55.5	0	0	0	0	112.4	Q75 V100	Q75-S98 VanDerWaalsContact CA-O 3.25Å; Q75-S98 WeakPolarHBondContact CA-O 3.5Å; S98-V100 VanDerWaalsContact C-N 3.3Å; S98-V100 PolarHBondContact O-N 3.06Å
99	W	93.8	Very high	95.3	Very high	136 Å²	136	45.7 Å²	45.7	52%	0.515	25%	0.253	S	S	.	.			trans	-87.4	66.5	-173.7	-64.6	97.3	0	0	0	112	S97 G116 L117	S97-W99 VanDerWaalsContact C-N 3.33Å; S97-W99 PolarHBondContact OG-N 2.81Å; W99-G116 VanDerWaalsContact O-CA 3.32Å; W99-G116 WeakPolarHBondContact O-CA 3.49Å; W99-L117 HydrophobicContact CB-CB 3.8Å; W99-L117 HydrophobicContact CB-CD1 3.68Å; W99-L117 HydrophobicContact CB-CG 3.77Å; W99-L117 HydrophobicContact CD2-CD1 3.88Å; W99-L117 HydrophobicContact CE3-CD1 3.97Å; W99-L117 HydrophobicContact CG-CD1 3.78Å; W99-L117 HydrophobicContact CG-CG 4.41Å; W99-L117 PolarHBondContact O-N 2.76Å
100	V	96.5	Very high	95.1	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.024	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	137.5	175.5	68.1	0	0	0	0	111	A73 S74 L95 S98 T102 C114 G115	A73-V100 HydrophobicContact CB-CB 4.35Å; A73-V100 HydrophobicContact CB-CG1 3.71Å; A73-V100 HydrophobicContact CB-CG2 3.68Å; S74-V100 WeakPolarHBondContact O-CG1 3.31Å; L95-V100 HydrophobicContact CD1-CB 3.92Å; L95-V100 HydrophobicContact CD1-CG1 4.17Å; L95-V100 HydrophobicContact CD1-CG2 4.06Å; S98-V100 VanDerWaalsContact C-N 3.3Å; S98-V100 PolarHBondContact O-N 3.06Å; V100-T102 WeakPolarHBondContact CG2-O 3.22Å; V100-C114 HydrophobicContact CG2-CB 3.9Å; V100-G115 WeakPolarHBondContact CG2-O 3.32Å
101	M	97.6	Very high	95.2	Very high	46 Å²	46	39.5 Å²	39.5	23%	0.227	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	-29.3	179.1	-65.2	179.4	68.2	0	0	112	Y59 A60 G115 L117 Y145 L146	Y59-M101 HydrophobicContact CD1-CG 4.47Å; A60-M101 WeakPolarHBondContact CB-O 3.3Å; M101-G115 PolarHBondContact N-O 3.31Å; M101-L117 HydrophobicContact SD-CD2 3.94Å; M101-L117 HydrophobicContact SD-CG 4.45Å; M101-Y145 HydrophobicContact CE-CD2 3.61Å; M101-Y145 HydrophobicContact CE-CE2 3.67Å; M101-Y145 HydrophobicContact SD-CD2 3.54Å; M101-Y145 VanDerWaalsContact SD-CD2 3.54Å; M101-Y145 HydrophobicContact SD-CE2 4.24Å; M101-Y145 HydrophobicContact SD-CG 4.07Å; M101-L146 WeakPolarHBondContact CB-O 3.34Å
102	T	98.3	Very high	95.3	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	152.8	-178.6	-178.5	0	0	0	0	112.8	V100 C114 G115 L146 S147 C148 C149	V100-T102 WeakPolarHBondContact CG2-O 3.22Å; T102-C114 VanDerWaalsContact O-CA 3.23Å; T102-C114 WeakPolarHBondContact O-CA 3.28Å; T102-C114 WeakPolarHBondContact O-CB 3.46Å; T102-G115 PolarHBondContact N-O 2.87Å; T102-G115 VanDerWaalsContact N-O 3.08Å; T102-G115 PolarHBondContact O-N 3.35Å; T102-L146 HydrophobicContact CG2-CD2 3.61Å; T102-L146 HydrophobicContact CG2-CG 3.87Å; T102-S147 WeakPolarHBondContact CB-O 3.09Å; T102-C148 WeakPolarHBondContact OG1-CA 3.46Å; T102-C149 HydrophobicContact CG2-CB 4.36Å; T102-C149 PolarHBondContact OG1-N 2.85Å; T102-C149 VanDerWaalsContact OG1-N 3.12Å; T102-C149 PolarHBondContact OG1-SG 2.94Å; T102-C149 VanDerWaalsContact OG1-SG 3.42Å
103	C	98.3	Very high	95.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	155.1	159.8	61	0	0	0	0	111.6	A60 V71 A73 L79 A113 C114 R150	A60-C103 VanDerWaalsContact C-SG 3.57Å; V71-C103 HydrophobicContact CG1-CB 4.33Å; A73-C103 HydrophobicContact CB-CB 3.9Å; L79-C103 HydrophobicContact CD1-CB 3.54Å; C103-A113 CarbonylContact C-O 3.51Å; C103-A113 WeakPolarHBondContact CA-O 3.24Å; C103-A113 WeakPolarHBondContact CB-O 3.37Å; C103-C114 HydrophobicContact CB-CB 4.46Å; C103-R150 PolarHBondContact O-NH1 2.84Å
104	A	98.5	Very high	95.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	139.2	174.5	0	0	0	0	0	111.2	V112 A113 C149 F151	A104-V112 CarbonylContact O-C 3.56Å; A104-V112 WeakPolarHBondContact O-CA 3.49Å; A104-A113 HydrophobicContact CB-CB 4.5Å; A104-A113 PolarHBondContact N-O 3.05Å; A104-A113 PolarHBondContact O-N 3.31Å; A104-C149 WeakPolarHBondContact CB-O 3.45Å; A104-F151 HydrophobicContact CB-CD2 3.82Å; A104-F151 HydrophobicContact CB-CE2 3.97Å
105	Y	98	Very high	95.7	Very high	10 Å²	10	29.7 Å²	29.7	4%	0.039	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	133.9	162.3	-137.8	-59.5	0	0	0	110.5	H62 L69 V71 V81 V112 L126	H62-Y105 PolarHBondContact ND1-N 2.94Å; H62-Y105 VanDerWaalsContact ND1-N 3.1Å; L69-Y105 HydrophobicContact CB-CE2 4.2Å; V71-Y105 HydrophobicContact CB-CD2 3.91Å; V71-Y105 HydrophobicContact CB-CE2 4.41Å; V71-Y105 HydrophobicContact CG1-CD2 3.9Å; V71-Y105 HydrophobicContact CG1-CG 4.46Å; V81-Y105 HydrophobicContact CG1-CE2 3.95Å; Y105-V112 HydrophobicContact CD1-CG1 4.26Å; Y105-V112 HydrophobicContact CD2-CG1 4.06Å; Y105-V112 HydrophobicContact CE1-CG1 4.28Å; Y105-V112 HydrophobicContact CE2-CG1 4.15Å; Y105-V112 HydrophobicContact CG-CG1 4.13Å; Y105-L126 HydrophobicContact CE1-CD1 4.04Å; Y105-L126 HydrophobicContact CE2-CD1 4.47Å; Y105-L126 WeakPolarHBondContact OH-CD1 3.46Å
106	A	97.4	Very high	95.8	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.008	15%	0.15	C	C	.	.			trans	-73.2	145.6	172.5	0	0	0	0	0	112	S108 G109 L111 F151	A106-S108 PolarHBondContact O-N 3.44Å; A106-S108 VanDerWaalsContact O-N 3.11Å; A106-G109 PolarHBondContact O-N 3.03Å; A106-L111 HydrophobicContact CB-CB 3.78Å; A106-L111 WeakPolarHBondContact CB-O 3.38Å; A106-L111 PolarHBondContact N-O 3.3Å; A106-F151 HydrophobicContact CB-CB 4.25Å; A106-F151 HydrophobicContact CB-CD1 4.04Å; A106-F151 HydrophobicContact CB-CD2 3.78Å; A106-F151 HydrophobicContact CB-CE1 4.27Å; A106-F151 HydrophobicContact CB-CE2 4.03Å; A106-F151 HydrophobicContact CB-CG 3.77Å; A106-F151 HydrophobicContact CB-CZ 4.26Å
107	P	95.4	Very high	96.2	Very high	46 Å²	46	25.6 Å²	25.6	30%	0.299	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-28.2	-179.2	-27.5	34.3	0	0	0	115	T65 G109	T65-P107 HydrophobicContact CG2-CB 4.18Å; T65-P107 PolarHBondContact OG1-O 2.75Å; P107-G109 VanDerWaalsContact C-N 3.26Å; P107-G109 PolarHBondContact O-N 3.22Å
108	S	94.8	Very high	96.4	Very high	49 Å²	49	26.4 Å²	26.4	34%	0.343	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-17.5	177.4	67.1	0	0	0	0	114.4	A106 N110 D154	A106-S108 PolarHBondContact O-N 3.44Å; A106-S108 VanDerWaalsContact O-N 3.11Å; S108-N110 VanDerWaalsContact C-N 3.27Å; S108-N110 WeakPolarHBondContact CB-ND2 2.99Å; S108-N110 PolarHBondContact O-N 3.12Å; S108-N110 WeakPolarHBondContact OG-CB 3.31Å; S108-N110 PolarHBondContact OG-N 2.98Å; S108-N110 PolarHBondContact OG-ND2 2.99Å; S108-D154 WeakPolarHBondContact CB-OD1 3.29Å; S108-D154 WeakPolarHBondContact CB-OD2 3.3Å; S108-D154 PolarHBondContact OG-OD1 2.87Å; S108-D154 PolarHBondContact OG-OD2 3.38Å
109	G	93.6	Very high	96.6	Very high	14 Å²	14	26.4 Å²	26.4	14%	0.144	14%	0.14	C	C	.	.	S	Bend	trans	79.9	-0	-169.7	0	0	0	0	0	114.9	A106 P107	A106-G109 PolarHBondContact O-N 3.03Å; P107-G109 VanDerWaalsContact C-N 3.26Å; P107-G109 PolarHBondContact O-N 3.22Å
110	N	92.8	Very high	96.7	Very high	44 Å²	44	22.3 Å²	22.3	24%	0.235	13%	0.127	C	C	.	.	S	Bend	trans	-91	-32	-171.8	-60.8	-33.2	0	0	0	113.9	S108 L126 K127 D154	S108-N110 VanDerWaalsContact C-N 3.27Å; S108-N110 WeakPolarHBondContact CB-ND2 2.99Å; S108-N110 PolarHBondContact O-N 3.12Å; S108-N110 WeakPolarHBondContact OG-CB 3.31Å; S108-N110 PolarHBondContact OG-N 2.98Å; S108-N110 PolarHBondContact OG-ND2 2.99Å; N110-L126 WeakPolarHBondContact O-CB 3.34Å; N110-L126 PolarHBondContact O-N 3.19Å; N110-K127 WeakPolarHBondContact OD1-CD 2.98Å; N110-K127 VanDerWaalsContact OD1-CE 3.3Å; N110-K127 WeakPolarHBondContact OD1-CE 3.07Å; N110-K127 PolarHBondContact OD1-NZ 3.11Å; N110-D154 PolarHBondContact ND2-OD2 3.35Å; N110-D154 VanDerWaalsContact ND2-OD2 3.1Å
111	L	96.5	Very high	96.8	Very high	6 Å²	6	22.2 Å²	22.2	3%	0.031	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	150.1	-172.2	-51.8	177.3	0	0	0	111.4	A106 I123 Y124 N125 M136 F151 D154	A106-L111 HydrophobicContact CB-CB 3.78Å; A106-L111 WeakPolarHBondContact CB-O 3.38Å; A106-L111 PolarHBondContact N-O 3.3Å; L111-I123 HydrophobicContact CB-CG2 4.36Å; L111-I123 HydrophobicContact CD1-CG2 4.25Å; L111-Y124 VanDerWaalsContact CA-O 3.3Å; L111-Y124 WeakPolarHBondContact CA-O 3.25Å; L111-N125 HydrophobicContact CD2-CB 3.91Å; L111-M136 HydrophobicContact CD1-SD 4.48Å; L111-M136 HydrophobicContact CD2-SD 3.72Å; L111-F151 HydrophobicContact CB-CE1 4.22Å; L111-F151 HydrophobicContact CB-CZ 3.97Å; L111-F151 HydrophobicContact CD1-CE1 4.22Å; L111-D154 HydrophobicContact CD1-CB 4.18Å
112	V	97.9	Very high	96.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.5	164	-65.9	0	0	0	0	109.4	V71 L79 V81 I93 A104 Y105 Y124 L126	V71-V112 HydrophobicContact CB-CG1 4.3Å; V71-V112 HydrophobicContact CG1-CG1 4.48Å; V71-V112 HydrophobicContact CG2-CG1 4.24Å; L79-V112 HydrophobicContact CD2-CB 4.18Å; L79-V112 HydrophobicContact CD2-CG2 3.68Å; V81-V112 HydrophobicContact CG2-CG1 4.38Å; I93-V112 HydrophobicContact CD1-CG2 3.86Å; A104-V112 CarbonylContact O-C 3.56Å; A104-V112 WeakPolarHBondContact O-CA 3.49Å; Y105-V112 HydrophobicContact CD1-CG1 4.26Å; Y105-V112 HydrophobicContact CD2-CG1 4.06Å; Y105-V112 HydrophobicContact CE1-CG1 4.28Å; Y105-V112 HydrophobicContact CE2-CG1 4.15Å; Y105-V112 HydrophobicContact CG-CG1 4.13Å; V112-Y124 HydrophobicContact CG2-CD2 4.42Å; V112-Y124 HydrophobicContact CG2-CG 4.49Å; V112-Y124 PolarHBondContact N-O 2.64Å; V112-Y124 PolarHBondContact O-N 2.95Å; V112-L126 HydrophobicContact CG1-CD1 3.77Å; V112-L126 HydrophobicContact CG1-CD2 4.4Å; V112-L126 HydrophobicContact CG1-CG 4.24Å; V112-L126 HydrophobicContact CG2-CD2 3.82Å; V112-L126 HydrophobicContact CG2-CG 4.26Å
113	A	98.3	Very high	96.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	154.1	175.3	0	0	0	0	0	110.5	C103 A104 S122 I123 F151 I157	C103-A113 CarbonylContact C-O 3.51Å; C103-A113 WeakPolarHBondContact CA-O 3.24Å; C103-A113 WeakPolarHBondContact CB-O 3.37Å; A104-A113 HydrophobicContact CB-CB 4.5Å; A104-A113 PolarHBondContact N-O 3.05Å; A104-A113 PolarHBondContact O-N 3.31Å; A113-S122 CarbonylContact C-O 3.59Å; A113-S122 VanDerWaalsContact CA-O 3.23Å; A113-S122 WeakPolarHBondContact CA-O 3.33Å; A113-I123 HydrophobicContact CB-CG1 4.22Å; A113-F151 HydrophobicContact CB-CE2 3.58Å; A113-F151 HydrophobicContact CB-CZ 3.56Å; A113-I157 HydrophobicContact CB-CD1 3.58Å
114	C	98.1	Very high	96.7	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.027	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	167.3	167.7	70.3	0	0	0	0	111.5	L79 L95 V100 T102 C103 C121 S122	L79-C114 HydrophobicContact CD1-CB 4.16Å; L79-C114 HydrophobicContact CD2-CB 4.24Å; L95-C114 WeakPolarHBondContact CD2-SG 3.35Å; V100-C114 HydrophobicContact CG2-CB 3.9Å; T102-C114 VanDerWaalsContact O-CA 3.23Å; T102-C114 WeakPolarHBondContact O-CA 3.28Å; T102-C114 WeakPolarHBondContact O-CB 3.46Å; C103-C114 HydrophobicContact CB-CB 4.46Å; C114-C121 CarbonylContact O-C 3.54Å; C114-C121 WeakPolarHBondContact O-CA 3.46Å; C114-S122 PolarHBondContact N-O 2.8Å; C114-S122 PolarHBondContact O-N 2.88Å
115	G	97.4	Very high	96.5	Very high	3 Å²	3	23 Å²	23	3%	0.031	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.2	175.6	167.9	0	0	0	0	0	111.6	V100 M101 T102 M120	V100-G115 WeakPolarHBondContact CG2-O 3.32Å; M101-G115 PolarHBondContact N-O 3.31Å; T102-G115 PolarHBondContact N-O 2.87Å; T102-G115 VanDerWaalsContact N-O 3.08Å; T102-G115 PolarHBondContact O-N 3.35Å; G115-M120 VanDerWaalsContact CA-O 3.26Å; G115-M120 WeakPolarHBondContact CA-O 3.45Å
116	G	96.9	Very high	96.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	-124.9	177.7	0	0	0	0	0	112.2	W99 D118 N119 Y145 L146	W99-G116 VanDerWaalsContact O-CA 3.32Å; W99-G116 WeakPolarHBondContact O-CA 3.49Å; G116-D118 PolarHBondContact N-OD1 2.95Å; G116-D118 PolarHBondContact O-N 2.79Å; G116-D118 VanDerWaalsContact O-N 3.1Å; G116-N119 PolarHBondContact O-N 2.75Å; G116-N119 VanDerWaalsContact O-N 3.13Å; G116-Y145 WeakPolarHBondContact O-CA 3.14Å; G116-L146 WeakPolarHBondContact CA-O 3.18Å; G116-L146 PolarHBondContact O-N 3.01Å
117	L	96.7	Very high	95.4	Very high	92 Å²	92	30 Å²	30	48%	0.482	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-4.2	-175.1	-61.4	-175.3	0	0	0	114.6	W99 M101 N119 Y145	W99-L117 HydrophobicContact CB-CB 3.8Å; W99-L117 HydrophobicContact CB-CD1 3.68Å; W99-L117 HydrophobicContact CB-CG 3.77Å; W99-L117 HydrophobicContact CD2-CD1 3.88Å; W99-L117 HydrophobicContact CE3-CD1 3.97Å; W99-L117 HydrophobicContact CG-CD1 3.78Å; W99-L117 HydrophobicContact CG-CG 4.41Å; W99-L117 PolarHBondContact O-N 2.76Å; M101-L117 HydrophobicContact SD-CD2 3.94Å; M101-L117 HydrophobicContact SD-CG 4.45Å; L117-N119 PolarHBondContact O-OD1 3.06Å; L117-Y145 HydrophobicContact CD2-CD1 4.44Å; L117-Y145 HydrophobicContact CD2-CG 4.11Å
118	D	95.7	Very high	94.1	Very high	44 Å²	44	29 Å²	29	24%	0.235	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-1.2	172.3	59.7	-7.5	0	0	0	113.1	S97 G116 M120	S97-D118 WeakPolarHBondContact CB-OD2 3.5Å; G116-D118 PolarHBondContact N-OD1 2.95Å; G116-D118 PolarHBondContact O-N 2.79Å; G116-D118 VanDerWaalsContact O-N 3.1Å; D118-M120 HydrophobicContact CB-CE 4.12Å; D118-M120 WeakPolarHBondContact O-CG 3.17Å; D118-M120 PolarHBondContact O-N 3.3Å; D118-M120 PolarHBondContact OD1-N 3.3Å
119	N	96.6	Very high	92.6	Very high	52 Å²	52	37 Å²	37	28%	0.278	19%	0.189	S	C	.	.			trans	59.3	15.8	179.5	-53.4	-4.4	0	0	0	113.6	G116 L117 T143 G144 Y145	G116-N119 PolarHBondContact O-N 2.75Å; G116-N119 VanDerWaalsContact O-N 3.13Å; L117-N119 PolarHBondContact O-OD1 3.06Å; N119-T143 PolarHBondContact ND2-O 3.28Å; N119-G144 VanDerWaalsContact CB-O 3.25Å; N119-G144 WeakPolarHBondContact CB-O 3.45Å; N119-G144 VanDerWaalsContact CG-C 3.41Å; N119-G144 PolarHBondContact OD1-O 2.72Å; N119-Y145 VanDerWaalsContact OD1-CA 3.31Å; N119-Y145 WeakPolarHBondContact OD1-CA 3.31Å; N119-Y145 PolarHBondContact OD1-N 3.1Å
120	M	95.8	Very high	91.3	Very high	50 Å²	50	41.7 Å²	41.7	25%	0.246	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	143	-176.9	-68.7	-173.4	-61.1	0	0	110.7	G115 D118 L139 A140	G115-M120 VanDerWaalsContact CA-O 3.26Å; G115-M120 WeakPolarHBondContact CA-O 3.45Å; D118-M120 HydrophobicContact CB-CE 4.12Å; D118-M120 WeakPolarHBondContact O-CG 3.17Å; D118-M120 PolarHBondContact O-N 3.3Å; D118-M120 PolarHBondContact OD1-N 3.3Å; M120-L139 WeakPolarHBondContact CA-O 3.31Å; M120-A140 HydrophobicContact CG-CB 4.05Å; M120-A140 HydrophobicContact SD-CB 4.48Å
121	C	97.8	Very high	90.2	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.02	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	109.4	165.1	-165.2	0	0	0	0	109.3	C114 L139 L146 T159	C114-C121 CarbonylContact O-C 3.54Å; C114-C121 WeakPolarHBondContact O-CA 3.46Å; C121-L139 HydrophobicContact CB-CB 4.11Å; C121-L139 HydrophobicContact CB-CD1 4.31Å; C121-L139 PolarHBondContact N-O 2.93Å; C121-L139 PolarHBondContact O-N 3.11Å; C121-L146 HydrophobicContact CB-CD2 3.74Å; C121-T159 HydrophobicContact CB-CG2 3.96Å
122	S	97.6	Very high	89.3	Confident	5 Å²	5	47.5 Å²	47.5	4%	0.035	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.4	177.5	-64.3	0	0	0	0	110.2	A113 C114	A113-S122 CarbonylContact C-O 3.59Å; A113-S122 VanDerWaalsContact CA-O 3.23Å; A113-S122 WeakPolarHBondContact CA-O 3.33Å; C114-S122 PolarHBondContact N-O 2.8Å; C114-S122 PolarHBondContact O-N 2.88Å
123	I	97.6	Very high	88.7	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132	179.9	-59.4	171.9	0	0	0	108.9	L111 A113 M136 R137 L139 F151 I157 I171	L111-I123 HydrophobicContact CB-CG2 4.36Å; L111-I123 HydrophobicContact CD1-CG2 4.25Å; A113-I123 HydrophobicContact CB-CG1 4.22Å; I123-M136 PolarHBondContact O-N 2.86Å; I123-R137 HydrophobicContact CB-CB 4.36Å; I123-R137 HydrophobicContact CD1-CB 4.48Å; I123-R137 PolarHBondContact N-O 3.17Å; I123-R137 PolarHBondContact O-N 2.89Å; I123-L139 HydrophobicContact CD1-CD1 3.74Å; I123-L139 HydrophobicContact CD1-CG 4.24Å; I123-F151 HydrophobicContact CG2-CE1 4.44Å; I123-F151 HydrophobicContact CG2-CZ 4.29Å; I123-I157 HydrophobicContact CD1-CG2 4.24Å; I123-I171 HydrophobicContact CD1-CB 4.18Å; I123-I171 HydrophobicContact CD1-CD1 3.9Å; I123-I171 HydrophobicContact CD1-CG1 3.64Å; I123-I171 HydrophobicContact CD1-CG2 3.64Å
124	Y	96.4	Very high	88.1	Confident	7 Å²	7	54.9 Å²	54.9	3%	0.027	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.5	-177.4	-58.6	-96.8	0	0	0	110.2	L79 I93 L95 L111 V112 V133 V135	L79-Y124 HydrophobicContact CD2-CD2 4.38Å; I93-Y124 HydrophobicContact CD1-CG 4.44Å; I93-Y124 HydrophobicContact CG2-CD1 3.59Å; I93-Y124 HydrophobicContact CG2-CE1 3.45Å; I93-Y124 VanDerWaalsContact CG2-CE1 3.45Å; I93-Y124 HydrophobicContact CG2-CG 4.26Å; L95-Y124 HydrophobicContact CD2-CE2 4.16Å; L95-Y124 VanDerWaalsContact CD2-OH 3.28Å; L95-Y124 WeakPolarHBondContact CD2-OH 3.4Å; L111-Y124 VanDerWaalsContact CA-O 3.3Å; L111-Y124 WeakPolarHBondContact CA-O 3.25Å; V112-Y124 HydrophobicContact CG2-CD2 4.42Å; V112-Y124 HydrophobicContact CG2-CG 4.49Å; V112-Y124 PolarHBondContact N-O 2.64Å; V112-Y124 PolarHBondContact O-N 2.95Å; Y124-V133 HydrophobicContact CD1-CG1 4.32Å; Y124-V135 HydrophobicContact CD1-CG2 3.96Å; Y124-V135 HydrophobicContact CE1-CB 4.42Å; Y124-V135 HydrophobicContact CE1-CG2 3.42Å; Y124-V135 VanDerWaalsContact CE1-CG2 3.42Å
125	N	94.4	Very high	87.8	Confident	52 Å²	52	57.6 Å²	57.6	28%	0.278	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.9	173.2	-175.3	-11.2	0	0	0	110.2	L111 K127 K134 M136	L111-N125 HydrophobicContact CD2-CB 3.91Å; N125-K127 PolarHBondContact OD1-N 2.9Å; N125-K134 PolarHBondContact N-O 2.69Å; N125-M136 HydrophobicContact CB-CB 4.34Å; N125-M136 HydrophobicContact CB-SD 4.33Å
126	L	91.2	Very high	87.6	Confident	21 Å²	21	61.2 Å²	61.2	11%	0.11	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-22.3	-179.3	-61.6	-176.9	0	0	0	113.3	V81 I93 Y105 N110 V112 V133	V81-L126 HydrophobicContact CG2-CD1 4.21Å; V81-L126 HydrophobicContact CG2-CD2 4.17Å; I93-L126 HydrophobicContact CD1-CD2 4Å; Y105-L126 HydrophobicContact CE1-CD1 4.04Å; Y105-L126 HydrophobicContact CE2-CD1 4.47Å; Y105-L126 WeakPolarHBondContact OH-CD1 3.46Å; N110-L126 WeakPolarHBondContact O-CB 3.34Å; N110-L126 PolarHBondContact O-N 3.19Å; V112-L126 HydrophobicContact CG1-CD1 3.77Å; V112-L126 HydrophobicContact CG1-CD2 4.4Å; V112-L126 HydrophobicContact CG1-CG 4.24Å; V112-L126 HydrophobicContact CG2-CD2 3.82Å; V112-L126 HydrophobicContact CG2-CG 4.26Å; L126-V133 HydrophobicContact CD2-CG1 4.19Å; L126-V133 HydrophobicContact CD2-CG2 4.16Å
127	K	82.3	Confident	87.5	Confident	139 Å²	139	65.6 Å²	65.6	60%	0.604	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	42	-177.5	-63.8	-173.9	-172.9	159.3	0	112	N110 N125	N110-K127 WeakPolarHBondContact OD1-CD 2.98Å; N110-K127 VanDerWaalsContact OD1-CE 3.3Å; N110-K127 WeakPolarHBondContact OD1-CE 3.07Å; N110-K127 PolarHBondContact OD1-NZ 3.11Å; N125-K127 PolarHBondContact OD1-N 2.9Å
128	G	67.3	Low	87.4	Confident	24 Å²	24	64.5 Å²	64.5	25%	0.247	33%	0.334	C	S	.	.			trans	-57.7	144	174.6	0	0	0	0	0	111.9	D130 G131	G128-D130 PolarHBondContact O-N 3.31Å; G128-G131 PolarHBondContact O-N 2.96Å
129	K	64.8	Low	87.5	Confident	217 Å²	217	62.4 Å²	62.4	94%	0.943	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-24.3	-178.2	-67.1	-176.6	179.6	179.5	0	114
130	D	65.6	Low	87.4	Confident	113 Å²	113	63.3 Å²	63.3	60%	0.604	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	3.5	-175.9	-47.1	-33.6	0	0	0	113.2	G128 N132 K134	G128-D130 PolarHBondContact O-N 3.31Å; D130-N132 PolarHBondContact O-N 3.28Å; D130-N132 VanDerWaalsContact O-N 3.08Å; D130-K134 IonicContact OD2-NZ 2.66Å; D130-K134 PolarHBondContact OD2-NZ 2.95Å
131	G	69.1	Low	87.4	Confident	61 Å²	61	62.7 Å²	62.7	63%	0.629	34%	0.34	S	S	*	.	S	Bend	trans	73.3	-11.5	-174.2	0	0	0	0	0	115.3	G128	G128-G131 PolarHBondContact O-N 2.96Å
132	N	77.9	Confident	87.3	Confident	111 Å²	111	63.3 Å²	63.3	59%	0.594	34%	0.343	S	S	*	.	S	Bend	trans	-87.3	130.3	174.3	-73.6	-21.2	0	0	0	111.5	D130 K134	D130-N132 PolarHBondContact O-N 3.28Å; D130-N132 VanDerWaalsContact O-N 3.08Å; N132-K134 PolarHBondContact O-N 3.21Å
133	V	85.9	Confident	87.3	Confident	37 Å²	37	68.8 Å²	68.8	22%	0.224	38%	0.376	C	S	.	.			trans	-70.3	122.3	171.1	-175.2	0	0	0	0	109.2	N91 I93 Y124 L126	N91-V133 HydrophobicContact CB-CG2 4.28Å; N91-V133 WeakPolarHBondContact OD1-CG2 3.28Å; I93-V133 HydrophobicContact CD1-CG1 3.68Å; I93-V133 HydrophobicContact CG1-CB 4.19Å; I93-V133 HydrophobicContact CG1-CG1 3.78Å; I93-V133 HydrophobicContact CG1-CG2 4.44Å; Y124-V133 HydrophobicContact CD1-CG1 4.32Å; L126-V133 HydrophobicContact CD2-CG1 4.19Å; L126-V133 HydrophobicContact CD2-CG2 4.16Å
134	K	85.9	Confident	87.3	Confident	117 Å²	117	69.4 Å²	69.4	51%	0.509	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	150.8	178.5	-68.7	174.8	-180	168.4	0	109.7	N125 D130 N132 M136	N125-K134 PolarHBondContact N-O 2.69Å; D130-K134 IonicContact OD2-NZ 2.66Å; D130-K134 PolarHBondContact OD2-NZ 2.95Å; N132-K134 PolarHBondContact O-N 3.21Å; K134-M136 PolarHBondContact O-N 2.96Å
135	V	91.4	Very high	87.3	Confident	62 Å²	62	71.3 Å²	71.3	38%	0.376	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	121.5	166.5	-178.5	0	0	0	0	107.3	Y124 E138	Y124-V135 HydrophobicContact CD1-CG2 3.96Å; Y124-V135 HydrophobicContact CE1-CB 4.42Å; Y124-V135 HydrophobicContact CE1-CG2 3.42Å; Y124-V135 VanDerWaalsContact CE1-CG2 3.42Å; V135-E138 HydrophobicContact CG1-CG 3.76Å
136	M	92.3	Very high	87.5	Confident	79 Å²	79	68.9 Å²	68.9	39%	0.389	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-42.9	176.5	178.6	174.1	171	0	0	110.9	L111 I123 N125 K134 I171	L111-M136 HydrophobicContact CD1-SD 4.48Å; L111-M136 HydrophobicContact CD2-SD 3.72Å; I123-M136 PolarHBondContact O-N 2.86Å; N125-M136 HydrophobicContact CB-CB 4.34Å; N125-M136 HydrophobicContact CB-SD 4.33Å; K134-M136 PolarHBondContact O-N 2.96Å; M136-I171 HydrophobicContact CE-CG2 4.39Å
137	R	95	Very high	87.8	Confident	92 Å²	92	68.5 Å²	68.5	35%	0.347	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	147	-177	-167.9	68.4	65.5	-153.4	-1.2	110.6	I123 L139 I171 E172	I123-R137 HydrophobicContact CB-CB 4.36Å; I123-R137 HydrophobicContact CD1-CB 4.48Å; I123-R137 PolarHBondContact N-O 3.17Å; I123-R137 PolarHBondContact O-N 2.89Å; R137-L139 HydrophobicContact CG-CD2 3.66Å; R137-L139 HydrophobicContact CG-CG 4.32Å; R137-I171 PolarHBondContact NE-O 3.39Å; R137-E172 PolarHBondContact NH2-O 2.94Å
138	E	96.1	Very high	88.6	Confident	68 Å²	68	62.3 Å²	62.3	32%	0.318	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.6	167	-63.6	-178.4	158.3	0	0	107.2	K96 V135	K96-E138 VanDerWaalsContact CE-OE1 3.32Å; K96-E138 WeakPolarHBondContact CE-OE1 3.46Å; K96-E138 VanDerWaalsContact NZ-CD 3.34Å; K96-E138 IonicContact NZ-OE1 3.2Å; K96-E138 PolarHBondContact NZ-OE1 3.15Å; K96-E138 IonicContact NZ-OE2 3.36Å; K96-E138 PolarHBondContact NZ-OE2 2.94Å; V135-E138 HydrophobicContact CG1-CG 3.76Å
139	L	97	Very high	90.1	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	114.5	179.5	-54.8	175.2	0	0	0	108	M120 C121 I123 R137 I157 W169	M120-L139 WeakPolarHBondContact CA-O 3.31Å; C121-L139 HydrophobicContact CB-CB 4.11Å; C121-L139 HydrophobicContact CB-CD1 4.31Å; C121-L139 PolarHBondContact N-O 2.93Å; C121-L139 PolarHBondContact O-N 3.11Å; I123-L139 HydrophobicContact CD1-CD1 3.74Å; I123-L139 HydrophobicContact CD1-CG 4.24Å; R137-L139 HydrophobicContact CG-CD2 3.66Å; R137-L139 HydrophobicContact CG-CG 4.32Å; L139-I157 HydrophobicContact CD1-CG2 3.6Å; L139-W169 HydrophobicContact CB-CD2 4.05Å; L139-W169 HydrophobicContact CB-CE3 3.88Å; L139-W169 HydrophobicContact CB-CH2 4Å; L139-W169 HydrophobicContact CB-CZ2 4.25Å; L139-W169 HydrophobicContact CB-CZ3 3.85Å; L139-W169 HydrophobicContact CD1-CB 3.8Å; L139-W169 HydrophobicContact CD1-CD2 3.89Å; L139-W169 HydrophobicContact CD1-CE3 4.23Å; L139-W169 HydrophobicContact CD1-CG 3.71Å; L139-W169 HydrophobicContact CD2-CD2 4.41Å; L139-W169 HydrophobicContact CD2-CE3 3.9Å; L139-W169 HydrophobicContact CD2-CZ3 4.37Å; L139-W169 HydrophobicContact CG-CD2 4.34Å; L139-W169 HydrophobicContact CG-CE3 4.22Å
140	A	94.9	Very high	91.7	Very high	71 Å²	71	53.8 Å²	53.8	59%	0.587	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.6	111.3	-175.6	0	0	0	0	0	109.8	M120	M120-A140 HydrophobicContact CG-CB 4.05Å; M120-A140 HydrophobicContact SD-CB 4.48Å
141	A	94.5	Very high	93.3	Very high	36 Å²	36	48.9 Å²	48.9	30%	0.298	28%	0.278	S	S	.	.			trans	-159.5	-26.8	171.9	0	0	0	0	0	113.4	I167 W169 Q176	A141-I167 HydrophobicContact CB-CD1 4.29Å; A141-W169 HydrophobicContact CB-CH2 3.29Å; A141-W169 HydrophobicContact CB-CZ2 3.96Å; A141-W169 HydrophobicContact CB-CZ3 4.16Å; A141-Q176 HydrophobicContact CB-CG 3.84Å
142	H	97.1	Very high	94.6	Very high	16 Å²	16	47 Å²	47	7%	0.074	25%	0.254	C	S	.	.			trans	-60	141.4	174.1	-77.6	-59.3	0	0	0	110.9	T159 S161 D163 T165 I167	H142-T159 PolarHBondContact NE2-OG1 3.3Å; H142-S161 WeakPolarHBondContact CE1-CB 3.46Å; H142-S161 VanDerWaalsContact CG-CB 3.44Å; H142-S161 WeakPolarHBondContact ND1-CB 3.14Å; H142-S161 PolarHBondContact ND1-OG 3.39Å; H142-D163 WeakPolarHBondContact CA-OD2 3.28Å; H142-D163 VanDerWaalsContact CB-OD2 3.26Å; H142-D163 WeakPolarHBondContact CB-OD2 3.32Å; H142-D163 IonicContact CE1-OD1 3.21Å; H142-D163 IonicContact CG-OD2 3.49Å; H142-D163 IonicContact ND1-OD1 3.92Å; H142-D163 PolarHBondContact ND1-OD1 3.03Å; H142-D163 IonicContact ND1-OD2 2.78Å; H142-D163 PolarHBondContact ND1-OD2 2.78Å; H142-T165 PolarHBondContact CE1-OG1 3.36Å; H142-T165 PolarHBondContact ND1-OG1 2.95Å; H142-I167 VanDerWaalsContact CE1-CD1 3.4Å; H142-I167 WeakPolarHBondContact CE1-CD1 3.48Å
143	T	97.1	Very high	95.5	Very high	120 Å²	120	43.5 Å²	43.5	74%	0.736	24%	0.238	S	C	*	.	S	Bend	trans	-98.3	-8.1	175.9	58.5	0	0	0	0	112.2	N119 D163	N119-T143 PolarHBondContact ND2-O 3.28Å; T143-D163 PolarHBondContact N-OD2 3.21Å; T143-D163 VanDerWaalsContact OG1-CB 3.3Å; T143-D163 WeakPolarHBondContact OG1-CB 3.3Å
144	G	97	Very high	96	Very high	14 Å²	14	44.1 Å²	44.1	14%	0.144	24%	0.24	C	C	.	.	S	Bend	trans	-117.6	176.4	173.1	0	0	0	0	0	112.4	N119 S161 D163	N119-G144 VanDerWaalsContact CB-O 3.25Å; N119-G144 WeakPolarHBondContact CB-O 3.45Å; N119-G144 VanDerWaalsContact CG-C 3.41Å; N119-G144 PolarHBondContact OD1-O 2.72Å; G144-S161 PolarHBondContact O-OG 3.16Å; G144-D163 PolarHBondContact N-OD2 3.34Å
145	Y	97.6	Very high	96.5	Very high	47 Å²	47	41.9 Å²	41.9	18%	0.184	24%	0.236	C	C	.	.			trans	-65.5	146.7	-179.8	60.3	-94.1	0	0	0	111.4	M101 G116 L117 N119 S147 S161 G162 D186	M101-Y145 HydrophobicContact CE-CD2 3.61Å; M101-Y145 HydrophobicContact CE-CE2 3.67Å; M101-Y145 HydrophobicContact SD-CD2 3.54Å; M101-Y145 VanDerWaalsContact SD-CD2 3.54Å; M101-Y145 HydrophobicContact SD-CE2 4.24Å; M101-Y145 HydrophobicContact SD-CG 4.07Å; G116-Y145 WeakPolarHBondContact O-CA 3.14Å; L117-Y145 HydrophobicContact CD2-CD1 4.44Å; L117-Y145 HydrophobicContact CD2-CG 4.11Å; N119-Y145 VanDerWaalsContact OD1-CA 3.31Å; N119-Y145 WeakPolarHBondContact OD1-CA 3.31Å; N119-Y145 PolarHBondContact OD1-N 3.1Å; Y145-S147 PolarHBondContact O-N 2.84Å; Y145-S161 CarbonylContact O-C 3.5Å; Y145-S161 VanDerWaalsContact O-CA 3.22Å; Y145-S161 WeakPolarHBondContact O-CA 3.33Å; Y145-S161 PolarHBondContact O-OG 3.39Å; Y145-G162 PolarHBondContact O-N 2.81Å; Y145-D186 WeakPolarHBondContact CE1-OD2 3.32Å; Y145-D186 VanDerWaalsContact OH-CB 3.3Å; Y145-D186 WeakPolarHBondContact OH-CB 3.46Å; Y145-D186 PolarHBondContact OH-OD2 3.31Å
146	L	98.2	Very high	96.8	Very high	1 Å²	1	41 Å²	41	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	115.9	175.8	-171.3	74.5	0	0	0	110.4	M101 T102 G116 C121 T159 S160	M101-L146 WeakPolarHBondContact CB-O 3.34Å; T102-L146 HydrophobicContact CG2-CD2 3.61Å; T102-L146 HydrophobicContact CG2-CG 3.87Å; G116-L146 WeakPolarHBondContact CA-O 3.18Å; G116-L146 PolarHBondContact O-N 3.01Å; C121-L146 HydrophobicContact CB-CD2 3.74Å; L146-T159 VanDerWaalsContact CD1-CB 3.44Å; L146-T159 HydrophobicContact CD1-CG2 3.64Å; L146-T159 HydrophobicContact CD2-CG2 4.49Å; L146-S160 WeakPolarHBondContact CD1-O 3.2Å
147	S	97.9	Very high	97.1	Very high	12 Å²	12	37.3 Å²	37.3	8%	0.084	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-40.7	-175.3	61.6	0	0	0	0	113.5	T102 Y145 S160 C187 M188	T102-S147 WeakPolarHBondContact CB-O 3.09Å; Y145-S147 PolarHBondContact O-N 2.84Å; S147-S160 PolarHBondContact N-O 2.77Å; S147-S160 VanDerWaalsContact OG-C 3.3Å; S147-S160 PolarHBondContact OG-O 2.86Å; S147-S160 VanDerWaalsContact OG-O 3.05Å; S147-S160 PolarHBondContact OG-OG 3.35Å; S147-C187 WeakPolarHBondContact CB-O 3.42Å; S147-C187 PolarHBondContact OG-O 3.27Å; S147-M188 WeakPolarHBondContact CB-O 3.14Å
148	C	98.4	Very high	97.3	Very high	10 Å²	10	32.9 Å²	32.9	7%	0.068	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	155.9	178.5	-165.5	0	0	0	0	111	T102 T159 S160 L190	T102-C148 WeakPolarHBondContact OG1-CA 3.46Å; C148-T159 WeakPolarHBondContact O-CA 3.29Å; C148-S160 VanDerWaalsContact CB-OG 3.26Å; C148-S160 WeakPolarHBondContact CB-OG 3.41Å; C148-S160 PolarHBondContact N-OG 3.01Å; C148-S160 PolarHBondContact O-N 2.89Å; C148-L190 HydrophobicContact CB-CD2 4.34Å; C148-L190 HydrophobicContact CB-CG 4.09Å
149	C	98.4	Very high	97.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	147.4	169.8	63.6	0	0	0	0	111.2	T102 A104 I157 I158 T159	T102-C149 HydrophobicContact CG2-CB 4.36Å; T102-C149 PolarHBondContact OG1-N 2.85Å; T102-C149 VanDerWaalsContact OG1-N 3.12Å; T102-C149 PolarHBondContact OG1-SG 2.94Å; T102-C149 VanDerWaalsContact OG1-SG 3.42Å; A104-C149 WeakPolarHBondContact CB-O 3.45Å; C149-I157 HydrophobicContact CB-CD1 4.06Å; C149-I157 HydrophobicContact CB-CG1 4.42Å; C149-I158 CarbonylContact C-O 3.44Å; C149-I158 WeakPolarHBondContact CA-O 3.44Å; C149-T159 HydrophobicContact CB-CG2 4.14Å
150	R	98.5	Very high	97.5	Very high	62 Å²	62	29.6 Å²	29.6	23%	0.234	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	132.9	174.7	-67.6	-66	178.2	-101.4	4.2	110.7	C103 I157 I158 L190 V192	C103-R150 PolarHBondContact O-NH1 2.84Å; R150-I157 WeakPolarHBondContact O-CG1 3.4Å; R150-I158 PolarHBondContact N-O 2.87Å; R150-I158 PolarHBondContact O-N 2.72Å; R150-L190 HydrophobicContact CB-CD1 3.73Å; R150-L190 HydrophobicContact CG-CD1 3.52Å; R150-V192 HydrophobicContact CB-CG2 3.68Å; R150-V192 HydrophobicContact CG-CG2 4.35Å
151	F	98.3	Very high	97.6	Very high	9 Å²	9	26.2 Å²	26.2	4%	0.039	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	138.5	173.1	-71.8	-84.8	0	0	0	110.5	A104 A106 L111 A113 I123 S153 I157 I171	A104-F151 HydrophobicContact CB-CD2 3.82Å; A104-F151 HydrophobicContact CB-CE2 3.97Å; A106-F151 HydrophobicContact CB-CB 4.25Å; A106-F151 HydrophobicContact CB-CD1 4.04Å; A106-F151 HydrophobicContact CB-CD2 3.78Å; A106-F151 HydrophobicContact CB-CE1 4.27Å; A106-F151 HydrophobicContact CB-CE2 4.03Å; A106-F151 HydrophobicContact CB-CG 3.77Å; A106-F151 HydrophobicContact CB-CZ 4.26Å; L111-F151 HydrophobicContact CB-CE1 4.22Å; L111-F151 HydrophobicContact CB-CZ 3.97Å; L111-F151 HydrophobicContact CD1-CE1 4.22Å; A113-F151 HydrophobicContact CB-CE2 3.58Å; A113-F151 HydrophobicContact CB-CZ 3.56Å; I123-F151 HydrophobicContact CG2-CE1 4.44Å; I123-F151 HydrophobicContact CG2-CZ 4.29Å; F151-S153 WeakPolarHBondContact CD1-O 3.37Å; F151-I157 HydrophobicContact CD1-CB 4.06Å; F151-I157 HydrophobicContact CD1-CD1 4.13Å; F151-I157 HydrophobicContact CD1-CG1 4.23Å; F151-I157 HydrophobicContact CD2-CD1 4.3Å; F151-I157 HydrophobicContact CE1-CB 4.38Å; F151-I157 HydrophobicContact CE1-CD1 3.96Å; F151-I157 HydrophobicContact CE2-CD1 4.13Å; F151-I157 HydrophobicContact CG-CD1 4.31Å; F151-I157 HydrophobicContact CG-CG1 4.37Å; F151-I157 HydrophobicContact CZ-CD1 3.97Å; F151-I171 HydrophobicContact CD1-CD1 3.86Å; F151-I171 HydrophobicContact CE1-CD1 3.66Å
152	I	97.3	Very high	97.8	Very high	23 Å²	23	25.1 Å²	25.1	12%	0.118	14%	0.141	C	C	.	.	S	Bend	trans	-88.3	-42.3	162.9	-58.6	178.9	0	0	0	108.5	E156 I158 L168 F196 I213	I152-E156 HydrophobicContact CB-CB 4.05Å; I152-E156 HydrophobicContact CD1-CB 4.35Å; I152-E156 PolarHBondContact N-O 3.24Å; I152-I158 HydrophobicContact CD1-CD1 3.83Å; I152-I158 HydrophobicContact CD1-CG1 3.89Å; I152-I158 HydrophobicContact CG1-CD1 4.14Å; I152-I158 HydrophobicContact CG1-CG1 4.15Å; I152-L168 HydrophobicContact CD1-CD1 3.5Å; I152-F196 HydrophobicContact CB-CD1 4.36Å; I152-F196 HydrophobicContact CG2-CB 4.21Å; I152-F196 HydrophobicContact CG2-CD1 3.9Å; I152-F196 HydrophobicContact CG2-CG 4.39Å; I152-I213 HydrophobicContact CD1-CD1 4.12Å; I152-I213 HydrophobicContact CD1-CG2 3.88Å
153	S	96.4	Very high	97.9	Very high	36 Å²	36	25.8 Å²	25.8	25%	0.252	15%	0.146	S	C	.	.	S	Bend	trans	-154.7	-176	-178.1	68.4	0	0	0	0	109.8	F151 T155 E156	F151-S153 WeakPolarHBondContact CD1-O 3.37Å; S153-T155 PolarHBondContact O-N 2.96Å; S153-T155 PolarHBondContact OG-N 3.46Å; S153-T155 PolarHBondContact OG-OG1 3.42Å; S153-E156 PolarHBondContact N-O 2.81Å; S153-E156 VanDerWaalsContact O-O 3.07Å; S153-E156 PolarHBondContact OG-N 2.87Å
154	D	96	Very high	97.9	Very high	51 Å²	51	21.7 Å²	21.7	27%	0.273	12%	0.121	S	C	.	.	S	Bend	trans	-69.3	-11.7	173.5	-77.9	1.8	0	0	0	113.1	S108 N110 L111	S108-D154 WeakPolarHBondContact CB-OD1 3.29Å; S108-D154 WeakPolarHBondContact CB-OD2 3.3Å; S108-D154 PolarHBondContact OG-OD1 2.87Å; S108-D154 PolarHBondContact OG-OD2 3.38Å; N110-D154 PolarHBondContact ND2-OD2 3.35Å; N110-D154 VanDerWaalsContact ND2-OD2 3.1Å; L111-D154 HydrophobicContact CD1-CB 4.18Å
155	T	96.8	Very high	98	Very high	70 Å²	70	22.3 Å²	22.3	43%	0.429	12%	0.122	S	C	.	.	S	Bend	trans	-109.2	-14.4	-179.1	60.6	0	0	0	0	113.1	S153 I171	S153-T155 PolarHBondContact O-N 2.96Å; S153-T155 PolarHBondContact OG-N 3.46Å; S153-T155 PolarHBondContact OG-OG1 3.42Å; T155-I171 WeakPolarHBondContact O-CB 3.34Å; T155-I171 WeakPolarHBondContact O-CG1 3.4Å; T155-I171 PolarHBondContact O-N 2.89Å
156	E	98	Very high	98	Very high	44 Å²	44	20.1 Å²	20.1	21%	0.206	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.3	-173.5	-67.6	177.8	142.6	0	0	112.4	I152 S153 L168 W169 K177	I152-E156 HydrophobicContact CB-CB 4.05Å; I152-E156 HydrophobicContact CD1-CB 4.35Å; I152-E156 PolarHBondContact N-O 3.24Å; S153-E156 PolarHBondContact N-O 2.81Å; S153-E156 VanDerWaalsContact O-O 3.07Å; S153-E156 PolarHBondContact OG-N 2.87Å; E156-L168 HydrophobicContact CB-CD1 4.25Å; E156-W169 WeakPolarHBondContact CA-O 3.5Å; E156-K177 IonicContact OE1-NZ 3.71Å; E156-K177 PolarHBondContact OE1-NZ 2.94Å
157	I	98.6	Very high	98	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143.1	176.7	-170.3	170.8	0	0	0	109.8	A113 I123 L139 C149 R150 F151 W169 I171	A113-I157 HydrophobicContact CB-CD1 3.58Å; I123-I157 HydrophobicContact CD1-CG2 4.24Å; L139-I157 HydrophobicContact CD1-CG2 3.6Å; C149-I157 HydrophobicContact CB-CD1 4.06Å; C149-I157 HydrophobicContact CB-CG1 4.42Å; R150-I157 WeakPolarHBondContact O-CG1 3.4Å; F151-I157 HydrophobicContact CD1-CB 4.06Å; F151-I157 HydrophobicContact CD1-CD1 4.13Å; F151-I157 HydrophobicContact CD1-CG1 4.23Å; F151-I157 HydrophobicContact CD2-CD1 4.3Å; F151-I157 HydrophobicContact CE1-CB 4.38Å; F151-I157 HydrophobicContact CE1-CD1 3.96Å; F151-I157 HydrophobicContact CE2-CD1 4.13Å; F151-I157 HydrophobicContact CG-CD1 4.31Å; F151-I157 HydrophobicContact CG-CG1 4.37Å; F151-I157 HydrophobicContact CZ-CD1 3.97Å; I157-W169 HydrophobicContact CG2-CB 3.82Å; I157-W169 HydrophobicContact CG2-CG 4.25Å; I157-W169 PolarHBondContact N-O 2.76Å; I157-W169 PolarHBondContact O-N 2.85Å; I157-I171 HydrophobicContact CB-CD1 4.11Å; I157-I171 HydrophobicContact CB-CG1 4.4Å; I157-I171 HydrophobicContact CG2-CD1 4.12Å; I157-I171 HydrophobicContact CG2-CG1 3.89Å
158	I	98.7	Very high	98.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.7	170.7	-58.3	175.1	0	0	0	108.8	C149 R150 I152 I167 L168 L190 V192 F199 I213	C149-I158 CarbonylContact C-O 3.44Å; C149-I158 WeakPolarHBondContact CA-O 3.44Å; R150-I158 PolarHBondContact N-O 2.87Å; R150-I158 PolarHBondContact O-N 2.72Å; I152-I158 HydrophobicContact CD1-CD1 3.83Å; I152-I158 HydrophobicContact CD1-CG1 3.89Å; I152-I158 HydrophobicContact CG1-CD1 4.14Å; I152-I158 HydrophobicContact CG1-CG1 4.15Å; I158-I167 CarbonylContact C-O 3.55Å; I158-I167 VanDerWaalsContact CA-O 3.29Å; I158-I167 WeakPolarHBondContact CA-O 3.44Å; I158-L168 HydrophobicContact CG1-CD1 3.87Å; I158-L190 HydrophobicContact CG2-CD1 4.4Å; I158-L190 HydrophobicContact CG2-CD2 3.84Å; I158-V192 HydrophobicContact CD1-CG2 4.32Å; I158-F199 HydrophobicContact CD1-CB 4.11Å; I158-F199 HydrophobicContact CD1-CD1 3.72Å; I158-F199 HydrophobicContact CD1-CE1 4.28Å; I158-F199 HydrophobicContact CD1-CG 3.96Å; I158-F199 HydrophobicContact CG2-CD2 4.38Å; I158-F199 HydrophobicContact CG2-CE2 4.3Å; I158-F199 HydrophobicContact CG2-CZ 4.39Å; I158-I213 HydrophobicContact CD1-CD1 3.8Å; I158-I213 HydrophobicContact CD1-CG1 3.97Å
159	T	98.7	Very high	98.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.7	173.9	54.2	0	0	0	0	111.3	C121 H142 L146 C148 C149 C166 I167 W169	C121-T159 HydrophobicContact CB-CG2 3.96Å; H142-T159 PolarHBondContact NE2-OG1 3.3Å; L146-T159 VanDerWaalsContact CD1-CB 3.44Å; L146-T159 HydrophobicContact CD1-CG2 3.64Å; L146-T159 HydrophobicContact CD2-CG2 4.49Å; C148-T159 WeakPolarHBondContact O-CA 3.29Å; C149-T159 HydrophobicContact CB-CG2 4.14Å; T159-C166 CarbonylContact O-C 3.6Å; T159-C166 WeakPolarHBondContact O-CA 3.31Å; T159-C166 VanDerWaalsContact O-CB 3.24Å; T159-C166 WeakPolarHBondContact O-CB 3.15Å; T159-I167 PolarHBondContact N-O 2.95Å; T159-I167 PolarHBondContact O-N 2.92Å; T159-I167 PolarHBondContact OG1-O 3Å; T159-W169 PolarHBondContact OG1-NE1 2.84Å
160	S	98.4	Very high	98.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	148.4	165.4	58.7	0	0	0	0	109.8	L146 S147 C148 C166	L146-S160 WeakPolarHBondContact CD1-O 3.2Å; S147-S160 PolarHBondContact N-O 2.77Å; S147-S160 VanDerWaalsContact OG-C 3.3Å; S147-S160 PolarHBondContact OG-O 2.86Å; S147-S160 VanDerWaalsContact OG-O 3.05Å; S147-S160 PolarHBondContact OG-OG 3.35Å; C148-S160 VanDerWaalsContact CB-OG 3.26Å; C148-S160 WeakPolarHBondContact CB-OG 3.41Å; C148-S160 PolarHBondContact N-OG 3.01Å; C148-S160 PolarHBondContact O-N 2.89Å; S160-C166 VanDerWaalsContact CB-SG 3.59Å
161	S	98.6	Very high	98	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	157.3	-172.1	172.9	0	0	0	0	113.2	H142 G144 Y145 D163 C164 T165 C187	H142-S161 WeakPolarHBondContact CE1-CB 3.46Å; H142-S161 VanDerWaalsContact CG-CB 3.44Å; H142-S161 WeakPolarHBondContact ND1-CB 3.14Å; H142-S161 PolarHBondContact ND1-OG 3.39Å; G144-S161 PolarHBondContact O-OG 3.16Å; Y145-S161 CarbonylContact O-C 3.5Å; Y145-S161 VanDerWaalsContact O-CA 3.22Å; Y145-S161 WeakPolarHBondContact O-CA 3.33Å; Y145-S161 PolarHBondContact O-OG 3.39Å; S161-D163 VanDerWaalsContact CB-OD1 3.3Å; S161-D163 WeakPolarHBondContact CB-OD1 3.34Å; S161-D163 PolarHBondContact O-N 3.09Å; S161-D163 PolarHBondContact OG-N 3.08Å; S161-D163 VanDerWaalsContact OG-N 3.16Å; S161-D163 PolarHBondContact OG-OD1 2.97Å; S161-D163 PolarHBondContact OG-OD2 2.77Å; S161-C164 PolarHBondContact O-N 3.46Å; S161-T165 PolarHBondContact N-O 3.33Å; S161-T165 VanDerWaalsContact N-O 3.08Å; S161-C187 WeakPolarHBondContact O-CB 3.29Å; S161-C187 PolarHBondContact O-N 3.25Å; S161-C187 VanDerWaalsContact O-N 3.12Å
162	G	98.2	Very high	97.8	Very high	12 Å²	12	24.7 Å²	24.7	12%	0.124	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-2.5	168.7	0	0	0	0	0	114.4	Y145 C164	Y145-G162 PolarHBondContact O-N 2.81Å; G162-C164 PolarHBondContact O-N 2.92Å
163	D	98	Very high	97.8	Very high	31 Å²	31	27.5 Å²	27.5	17%	0.166	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	15.4	170.3	61.3	30.2	0	0	0	114.1	H142 T143 G144 S161 T165	H142-D163 WeakPolarHBondContact CA-OD2 3.28Å; H142-D163 VanDerWaalsContact CB-OD2 3.26Å; H142-D163 WeakPolarHBondContact CB-OD2 3.32Å; H142-D163 IonicContact CE1-OD1 3.21Å; H142-D163 IonicContact CG-OD2 3.49Å; H142-D163 IonicContact ND1-OD1 3.92Å; H142-D163 PolarHBondContact ND1-OD1 3.03Å; H142-D163 IonicContact ND1-OD2 2.78Å; H142-D163 PolarHBondContact ND1-OD2 2.78Å; T143-D163 PolarHBondContact N-OD2 3.21Å; T143-D163 VanDerWaalsContact OG1-CB 3.3Å; T143-D163 WeakPolarHBondContact OG1-CB 3.3Å; G144-D163 PolarHBondContact N-OD2 3.34Å; S161-D163 VanDerWaalsContact CB-OD1 3.3Å; S161-D163 WeakPolarHBondContact CB-OD1 3.34Å; S161-D163 PolarHBondContact O-N 3.09Å; S161-D163 PolarHBondContact OG-N 3.08Å; S161-D163 VanDerWaalsContact OG-N 3.16Å; S161-D163 PolarHBondContact OG-OD1 2.97Å; S161-D163 PolarHBondContact OG-OD2 2.77Å; D163-T165 PolarHBondContact O-N 3.31Å; D163-T165 WeakPolarHBondContact OD1-CB 3.27Å; D163-T165 PolarHBondContact OD1-N 2.92Å; D163-T165 PolarHBondContact OD1-OG1 3.3Å
164	C	98.2	Very high	97.8	Very high	33 Å²	33	26.8 Å²	26.8	22%	0.223	15%	0.154	C	C	.	.	S	Bend	trans	67.4	14.2	-179.2	-48.5	0	0	0	0	114.5	S161 G162 H183 G185	S161-C164 PolarHBondContact O-N 3.46Å; G162-C164 PolarHBondContact O-N 2.92Å; C164-H183 HydrophobicContact CB-CB 4.49Å; C164-G185 PolarHBondContact SG-O 3.41Å; C164-G185 VanDerWaalsContact SG-O 3.41Å
165	T	98.3	Very high	97.8	Very high	27 Å²	27	28 Å²	28	17%	0.166	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	155.7	179.4	74.3	0	0	0	0	113.2	H142 S161 D163 V179 A181	H142-T165 PolarHBondContact CE1-OG1 3.36Å; H142-T165 PolarHBondContact ND1-OG1 2.95Å; S161-T165 PolarHBondContact N-O 3.33Å; S161-T165 VanDerWaalsContact N-O 3.08Å; D163-T165 PolarHBondContact O-N 3.31Å; D163-T165 WeakPolarHBondContact OD1-CB 3.27Å; D163-T165 PolarHBondContact OD1-N 2.92Å; D163-T165 PolarHBondContact OD1-OG1 3.3Å; T165-V179 HydrophobicContact CG2-CG1 4.4Å; T165-A181 HydrophobicContact CG2-CB 4.38Å
166	C	98.7	Very high	97.8	Very high	1 Å²	1	29 Å²	29	1%	0.007	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	151.3	160.9	-60.6	0	0	0	0	109.5	T159 S160 Y180 F199	T159-C166 CarbonylContact O-C 3.6Å; T159-C166 WeakPolarHBondContact O-CA 3.31Å; T159-C166 VanDerWaalsContact O-CB 3.24Å; T159-C166 WeakPolarHBondContact O-CB 3.15Å; S160-C166 VanDerWaalsContact CB-SG 3.59Å; C166-Y180 HydrophobicContact CB-CD2 4.19Å; C166-Y180 PolarHBondContact N-O 2.74Å; C166-Y180 WeakPolarHBondContact O-CD2 3.24Å; C166-Y180 PolarHBondContact O-N 3.37Å; C166-F199 HydrophobicContact CB-CE2 3.88Å; C166-F199 HydrophobicContact CB-CZ 3.9Å
167	I	98.7	Very high	97.8	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133.3	179.2	-62.4	173.1	0	0	0	110.2	A141 H142 I158 T159 W169 Q176 T178 V179	A141-I167 HydrophobicContact CB-CD1 4.29Å; H142-I167 VanDerWaalsContact CE1-CD1 3.4Å; H142-I167 WeakPolarHBondContact CE1-CD1 3.48Å; I158-I167 CarbonylContact C-O 3.55Å; I158-I167 VanDerWaalsContact CA-O 3.29Å; I158-I167 WeakPolarHBondContact CA-O 3.44Å; T159-I167 PolarHBondContact N-O 2.95Å; T159-I167 PolarHBondContact O-N 2.92Å; T159-I167 PolarHBondContact OG1-O 3Å; I167-W169 HydrophobicContact CB-CZ2 4.24Å; I167-W169 HydrophobicContact CD1-CZ2 3.97Å; I167-W169 HydrophobicContact CG2-CD2 3.81Å; I167-W169 VanDerWaalsContact CG2-CE2 3.4Å; I167-W169 HydrophobicContact CG2-CG 4.06Å; I167-W169 HydrophobicContact CG2-CZ2 3.89Å; I167-W169 VanDerWaalsContact CG2-NE1 3.33Å; I167-W169 VanDerWaalsContact O-CD1 3.3Å; I167-Q176 HydrophobicContact CD1-CG 4.39Å; I167-Q176 HydrophobicContact CG2-CB 3.87Å; I167-Q176 HydrophobicContact CG2-CG 3.87Å; I167-T178 WeakPolarHBondContact CA-O 3.46Å; I167-V179 HydrophobicContact CG1-CG1 4.31Å; I167-V179 HydrophobicContact CG1-CG2 4.24Å
168	L	98.7	Very high	97.8	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	129.1	162.9	173.7	66.7	0	0	0	109.1	I152 E156 I158 K177 T178 Y180 I213	I152-L168 HydrophobicContact CD1-CD1 3.5Å; E156-L168 HydrophobicContact CB-CD1 4.25Å; I158-L168 HydrophobicContact CG1-CD1 3.87Å; L168-K177 HydrophobicContact CD2-CB 4.14Å; L168-K177 HydrophobicContact CD2-CD 4.31Å; L168-K177 HydrophobicContact CG-CB 4.1Å; L168-K177 HydrophobicContact CG-CD 4.31Å; L168-K177 PolarHBondContact O-N 2.99Å; L168-T178 PolarHBondContact N-O 2.81Å; L168-T178 PolarHBondContact O-N 2.92Å; L168-Y180 HydrophobicContact CB-CE2 3.78Å; L168-I213 HydrophobicContact CD2-CG2 4.02Å
169	W	98.6	Very high	97.8	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	148	-176.7	-60.8	86.2	0	0	0	112.4	L139 A141 E156 I157 T159 I167 Q176	L139-W169 HydrophobicContact CB-CD2 4.05Å; L139-W169 HydrophobicContact CB-CE3 3.88Å; L139-W169 HydrophobicContact CB-CH2 4Å; L139-W169 HydrophobicContact CB-CZ2 4.25Å; L139-W169 HydrophobicContact CB-CZ3 3.85Å; L139-W169 HydrophobicContact CD1-CB 3.8Å; L139-W169 HydrophobicContact CD1-CD2 3.89Å; L139-W169 HydrophobicContact CD1-CE3 4.23Å; L139-W169 HydrophobicContact CD1-CG 3.71Å; L139-W169 HydrophobicContact CD2-CD2 4.41Å; L139-W169 HydrophobicContact CD2-CE3 3.9Å; L139-W169 HydrophobicContact CD2-CZ3 4.37Å; L139-W169 HydrophobicContact CG-CD2 4.34Å; L139-W169 HydrophobicContact CG-CE3 4.22Å; A141-W169 HydrophobicContact CB-CH2 3.29Å; A141-W169 HydrophobicContact CB-CZ2 3.96Å; A141-W169 HydrophobicContact CB-CZ3 4.16Å; E156-W169 WeakPolarHBondContact CA-O 3.5Å; I157-W169 HydrophobicContact CG2-CB 3.82Å; I157-W169 HydrophobicContact CG2-CG 4.25Å; I157-W169 PolarHBondContact N-O 2.76Å; I157-W169 PolarHBondContact O-N 2.85Å; T159-W169 PolarHBondContact OG1-NE1 2.84Å; I167-W169 HydrophobicContact CB-CZ2 4.24Å; I167-W169 HydrophobicContact CD1-CZ2 3.97Å; I167-W169 HydrophobicContact CG2-CD2 3.81Å; I167-W169 VanDerWaalsContact CG2-CE2 3.4Å; I167-W169 HydrophobicContact CG2-CG 4.06Å; I167-W169 HydrophobicContact CG2-CZ2 3.89Å; I167-W169 VanDerWaalsContact CG2-NE1 3.33Å; I167-W169 VanDerWaalsContact O-CD1 3.3Å; W169-Q176 HydrophobicContact CD2-CG 4.49Å; W169-Q176 HydrophobicContact CE3-CG 3.94Å; W169-Q176 HydrophobicContact CH2-CG 3.75Å; W169-Q176 HydrophobicContact CZ2-CG 4.25Å; W169-Q176 HydrophobicContact CZ3-CG 3.54Å
170	D	98	Very high	97.8	Very high	34 Å²	34	36.7 Å²	36.7	18%	0.182	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	116.9	158.5	-170.8	-53.7	0	0	0	108.4	E172 T173 G174 T175 K177	D170-E172 WeakPolarHBondContact OD1-CA 3.35Å; D170-E172 WeakPolarHBondContact OD1-CB 3.45Å; D170-E172 PolarHBondContact OD1-N 3.43Å; D170-T173 WeakPolarHBondContact CB-OG1 3.36Å; D170-T173 PolarHBondContact OD1-N 3.29Å; D170-T173 PolarHBondContact OD1-OG1 2.77Å; D170-G174 VanDerWaalsContact O-CA 3.23Å; D170-G174 WeakPolarHBondContact O-CA 3.44Å; D170-G174 PolarHBondContact O-N 3.21Å; D170-T175 PolarHBondContact N-O 3.47Å; D170-T175 PolarHBondContact O-N 2.82Å; D170-K177 HydrophobicContact CB-CD 3.94Å; D170-K177 HydrophobicContact CB-CG 3.87Å
171	I	97.1	Very high	97.7	Very high	1 Å²	1	40 Å²	40	1%	0.005	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-33.1	-177.2	-62	173.1	0	0	0	111.1	I123 M136 R137 F151 T155 I157	I123-I171 HydrophobicContact CD1-CB 4.18Å; I123-I171 HydrophobicContact CD1-CD1 3.9Å; I123-I171 HydrophobicContact CD1-CG1 3.64Å; I123-I171 HydrophobicContact CD1-CG2 3.64Å; M136-I171 HydrophobicContact CE-CG2 4.39Å; R137-I171 PolarHBondContact NE-O 3.39Å; F151-I171 HydrophobicContact CD1-CD1 3.86Å; F151-I171 HydrophobicContact CE1-CD1 3.66Å; T155-I171 WeakPolarHBondContact O-CB 3.34Å; T155-I171 WeakPolarHBondContact O-CG1 3.4Å; T155-I171 PolarHBondContact O-N 2.89Å; I157-I171 HydrophobicContact CB-CD1 4.11Å; I157-I171 HydrophobicContact CB-CG1 4.4Å; I157-I171 HydrophobicContact CG2-CD1 4.12Å; I157-I171 HydrophobicContact CG2-CG1 3.89Å
172	E	95	Very high	97.6	Very high	141 Å²	141	41.7 Å²	41.7	66%	0.659	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-49.2	-177.2	-175.3	174.1	-175.1	0	0	110.1	R137 D170	R137-E172 PolarHBondContact NH2-O 2.94Å; D170-E172 WeakPolarHBondContact OD1-CA 3.35Å; D170-E172 WeakPolarHBondContact OD1-CB 3.45Å; D170-E172 PolarHBondContact OD1-N 3.43Å
173	T	95.8	Very high	97.6	Very high	82 Å²	82	41.4 Å²	41.4	50%	0.503	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-22.4	179.6	66.2	0	0	0	0	113	D170 T175	D170-T173 WeakPolarHBondContact CB-OG1 3.36Å; D170-T173 PolarHBondContact OD1-N 3.29Å; D170-T173 PolarHBondContact OD1-OG1 2.77Å; T173-T175 VanDerWaalsContact C-N 3.27Å; T173-T175 PolarHBondContact OG1-N 3.31Å; T173-T175 PolarHBondContact OG1-OG1 2.88Å
174	G	95.8	Very high	97.5	Very high	22 Å²	22	47.6 Å²	47.6	23%	0.227	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	16.4	-173.2	0	0	0	0	0	113.8	D170	D170-G174 VanDerWaalsContact O-CA 3.23Å; D170-G174 WeakPolarHBondContact O-CA 3.44Å; D170-G174 PolarHBondContact O-N 3.21Å
175	T	96.6	Very high	97.5	Very high	77 Å²	77	46.6 Å²	46.6	47%	0.472	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	150.8	-176.1	61.2	0	0	0	0	112.3	D170 T173 K177	D170-T175 PolarHBondContact N-O 3.47Å; D170-T175 PolarHBondContact O-N 2.82Å; T173-T175 VanDerWaalsContact C-N 3.27Å; T173-T175 PolarHBondContact OG1-N 3.31Å; T173-T175 PolarHBondContact OG1-OG1 2.88Å; T175-K177 PolarHBondContact O-N 3.45Å
176	Q	97.4	Very high	97.5	Very high	89 Å²	89	48 Å²	48	42%	0.416	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	122.6	170	-52.6	173.6	58.9	0	0	109.2	A141 I167 W169	A141-Q176 HydrophobicContact CB-CG 3.84Å; I167-Q176 HydrophobicContact CD1-CG 4.39Å; I167-Q176 HydrophobicContact CG2-CB 3.87Å; I167-Q176 HydrophobicContact CG2-CG 3.87Å; W169-Q176 HydrophobicContact CD2-CG 4.49Å; W169-Q176 HydrophobicContact CE3-CG 3.94Å; W169-Q176 HydrophobicContact CH2-CG 3.75Å; W169-Q176 HydrophobicContact CZ2-CG 4.25Å; W169-Q176 HydrophobicContact CZ3-CG 3.54Å
177	K	97.6	Very high	97.5	Very high	99 Å²	99	48 Å²	48	43%	0.43	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-43.6	173.3	-64.9	-175.3	69.4	165.8	0	111.3	E156 L168 D170 T175	E156-K177 IonicContact OE1-NZ 3.71Å; E156-K177 PolarHBondContact OE1-NZ 2.94Å; L168-K177 HydrophobicContact CD2-CB 4.14Å; L168-K177 HydrophobicContact CD2-CD 4.31Å; L168-K177 HydrophobicContact CG-CB 4.1Å; L168-K177 HydrophobicContact CG-CD 4.31Å; L168-K177 PolarHBondContact O-N 2.99Å; D170-K177 HydrophobicContact CB-CD 3.94Å; D170-K177 HydrophobicContact CB-CG 3.87Å; T175-K177 PolarHBondContact O-N 3.45Å
178	T	98.4	Very high	97.5	Very high	35 Å²	35	50 Å²	50	22%	0.215	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	133.5	-174	-50.8	0	0	0	0	109.9	I167 L168 Y180	I167-T178 WeakPolarHBondContact CA-O 3.46Å; L168-T178 PolarHBondContact N-O 2.81Å; L168-T178 PolarHBondContact O-N 2.92Å; T178-Y180 HydrophobicContact CG2-CD1 4.4Å; T178-Y180 HydrophobicContact CG2-CE1 3.91Å; T178-Y180 HydrophobicContact CG2-CE2 4.15Å
179	V	98.3	Very high	97.4	Very high	70 Å²	70	50.3 Å²	50.3	42%	0.424	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.6	175	-176.7	0	0	0	0	108	T165 I167	T165-V179 HydrophobicContact CG2-CG1 4.4Å; I167-V179 HydrophobicContact CG1-CG1 4.31Å; I167-V179 HydrophobicContact CG1-CG2 4.24Å
180	Y	98.6	Very high	97.4	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.008	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	97.8	177.4	-52.9	-89.3	0	0	0	108.3	C166 L168 T178 F199 W211 D212 I213	C166-Y180 HydrophobicContact CB-CD2 4.19Å; C166-Y180 PolarHBondContact N-O 2.74Å; C166-Y180 WeakPolarHBondContact O-CD2 3.24Å; C166-Y180 PolarHBondContact O-N 3.37Å; L168-Y180 HydrophobicContact CB-CE2 3.78Å; T178-Y180 HydrophobicContact CG2-CD1 4.4Å; T178-Y180 HydrophobicContact CG2-CE1 3.91Å; T178-Y180 HydrophobicContact CG2-CE2 4.15Å; Y180-F199 AromaticContact CD1-CE1 3.83Å; Y180-F199 HydrophobicContact CD1-CE1 3.83Å; Y180-F199 AromaticContact CD1-CZ 3.98Å; Y180-F199 HydrophobicContact CD1-CZ 3.98Å; Y180-F199 AromaticContact CD2-CE1 3.78Å; Y180-F199 HydrophobicContact CD2-CE1 3.78Å; Y180-F199 AromaticContact CD2-CZ 3.6Å; Y180-F199 HydrophobicContact CD2-CZ 3.6Å; Y180-F199 AromaticContact CE1-CE1 3.7Å; Y180-F199 HydrophobicContact CE1-CE1 3.7Å; Y180-F199 HydrophobicContact CE1-CZ 4.3Å; Y180-F199 AromaticContact CE2-CE1 3.67Å; Y180-F199 HydrophobicContact CE2-CE1 3.67Å; Y180-F199 AromaticContact CE2-CZ 3.97Å; Y180-F199 HydrophobicContact CE2-CZ 3.97Å; Y180-F199 AromaticContact CG-CE1 3.88Å; Y180-F199 HydrophobicContact CG-CE1 3.88Å; Y180-F199 AromaticContact CG-CZ 3.62Å; Y180-F199 HydrophobicContact CG-CZ 3.62Å; Y180-F199 AromaticContact CZ-CE1 3.66Å; Y180-W211 HydrophobicContact CD1-CB 4.08Å; Y180-W211 HydrophobicContact CD1-CD2 4.21Å; Y180-W211 AromaticContact CD1-CE3 3.81Å; Y180-W211 HydrophobicContact CD1-CE3 3.81Å; Y180-W211 HydrophobicContact CD1-CG 4.35Å; Y180-W211 HydrophobicContact CE1-CB 4.38Å; Y180-W211 HydrophobicContact CG-CD2 4.43Å; Y180-W211 HydrophobicContact CG-CE3 4.21Å; Y180-D212 WeakPolarHBondContact CE1-O 3.46Å; Y180-I213 WeakPolarHBondContact OH-CA 3.36Å; Y180-I213 PolarHBondContact OH-O 3.15Å
181	A	97.3	Very high	97.4	Very high	71 Å²	71	49.3 Å²	49.3	59%	0.587	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.5	177.8	0	0	0	0	0	110.1	T165	T165-A181 HydrophobicContact CG2-CB 4.38Å
182	G	96	Very high	97.4	Very high	34 Å²	34	50.6 Å²	50.6	35%	0.351	29%	0.291	S	S	.	.			trans	166.7	-16	176.9	0	0	0	0	0	115.1	K209	G182-K209 VanDerWaalsContact O-CE 3.32Å; G182-K209 WeakPolarHBondContact O-CE 3.48Å
183	H	98.1	Very high	97.5	Very high	7 Å²	7	44 Å²	44	3%	0.032	26%	0.261	C	S	.	.			trans	-70.7	154.1	166.3	-80.2	-66.7	0	0	0	111.3	C164 C187 S201 A203 D205	C164-H183 HydrophobicContact CB-CB 4.49Å; H183-C187 PolarHBondContact CD2-SG 3.4Å; H183-S201 PolarHBondContact CD2-OG 3.48Å; H183-S201 PolarHBondContact NE2-OG 3.1Å; H183-A203 HydrophobicContact CB-CB 4.24Å; H183-A203 VanDerWaalsContact ND1-CB 3.3Å; H183-A203 WeakPolarHBondContact ND1-CB 3.31Å; H183-D205 VanDerWaalsContact CA-OD2 3.25Å; H183-D205 WeakPolarHBondContact CA-OD2 3.22Å; H183-D205 WeakPolarHBondContact CB-OD2 3.17Å; H183-D205 IonicContact CE1-OD1 3.23Å; H183-D205 IonicContact CE1-OD2 2.71Å; H183-D205 IonicContact CG-OD2 2.83Å; H183-D205 IonicContact ND1-OD1 3.44Å; H183-D205 PolarHBondContact ND1-OD1 2.92Å; H183-D205 IonicContact ND1-OD2 3.67Å; H183-D205 PolarHBondContact ND1-OD2 3.29Å
184	Q	97.4	Very high	97.4	Very high	161 Å²	161	43.6 Å²	43.6	75%	0.752	26%	0.26	S	S	*	.	S	Bend	trans	-113.8	6.2	178.7	-59.6	-58	-51.3	0	0	112.9	D205	Q184-D205 HydrophobicContact CB-CB 4.18Å; Q184-D205 PolarHBondContact N-OD2 3.04Å
185	G	97.8	Very high	97.3	Very high	12 Å²	12	46.3 Å²	46.3	12%	0.124	27%	0.269	C	S	.	.	S	Bend	trans	-148.1	171.6	174.3	0	0	0	0	0	110.1	C164 C187	C164-G185 PolarHBondContact SG-O 3.41Å; C164-G185 VanDerWaalsContact SG-O 3.41Å; G185-C187 PolarHBondContact O-N 3.37Å
186	D	98.4	Very high	97.3	Very high	56 Å²	56	47 Å²	47	30%	0.299	27%	0.266	S	S	.	.			trans	-50.2	125.2	-177.8	-61	18.1	0	0	0	110.7	Y145 M188 A203 C204	Y145-D186 WeakPolarHBondContact CE1-OD2 3.32Å; Y145-D186 VanDerWaalsContact OH-CB 3.3Å; Y145-D186 WeakPolarHBondContact OH-CB 3.46Å; Y145-D186 PolarHBondContact OH-OD2 3.31Å; D186-M188 HydrophobicContact CB-SD 4.33Å; D186-M188 PolarHBondContact O-N 3.14Å; D186-A203 CarbonylContact O-C 3.54Å; D186-A203 WeakPolarHBondContact O-CA 3.35Å; D186-A203 VanDerWaalsContact O-CB 3.28Å; D186-A203 WeakPolarHBondContact O-CB 3.28Å; D186-C204 HydrophobicContact CB-CB 4.39Å; D186-C204 PolarHBondContact O-N 3.04Å
187	C	98.2	Very high	97.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	117	174	-65	0	0	0	0	107.5	S147 S161 H183 G185	S147-C187 WeakPolarHBondContact CB-O 3.42Å; S147-C187 PolarHBondContact OG-O 3.27Å; S161-C187 WeakPolarHBondContact O-CB 3.29Å; S161-C187 PolarHBondContact O-N 3.25Å; S161-C187 VanDerWaalsContact O-N 3.12Å; H183-C187 PolarHBondContact CD2-SG 3.4Å; G185-C187 PolarHBondContact O-N 3.37Å
188	M	98.3	Very high	97.3	Very high	47 Å²	47	46.9 Å²	46.9	23%	0.232	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-33.6	-171.8	-67.4	-59.7	-75.9	0	0	113.1	S147 D186 G202 C204	S147-M188 WeakPolarHBondContact CB-O 3.14Å; D186-M188 HydrophobicContact CB-SD 4.33Å; D186-M188 PolarHBondContact O-N 3.14Å; M188-G202 PolarHBondContact N-O 3.38Å; M188-C204 VanDerWaalsContact CG-SG 3.59Å
189	S	97.1	Very high	97.3	Very high	13 Å²	13	45.2 Å²	45.2	9%	0.091	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	158.1	-178.4	62	0	0	0	0	112.4	S201 G202 N230 A231 I232	S189-S201 VanDerWaalsContact O-CA 3.29Å; S189-S201 WeakPolarHBondContact O-CA 3.39Å; S189-G202 PolarHBondContact N-O 3.47Å; S189-G202 PolarHBondContact O-N 2.86Å; S189-N230 VanDerWaalsContact CB-O 3.3Å; S189-N230 WeakPolarHBondContact CB-O 3.46Å; S189-N230 PolarHBondContact OG-O 2.84Å; S189-A231 WeakPolarHBondContact OG-CA 3.36Å; S189-I232 WeakPolarHBondContact OG-CG2 3.41Å; S189-I232 PolarHBondContact OG-N 2.75Å
190	L	98.2	Very high	97.3	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	151.6	171.5	75.6	87.7	0	0	0	111	C148 R150 I158 V192 F199 I200	C148-L190 HydrophobicContact CB-CD2 4.34Å; C148-L190 HydrophobicContact CB-CG 4.09Å; R150-L190 HydrophobicContact CB-CD1 3.73Å; R150-L190 HydrophobicContact CG-CD1 3.52Å; I158-L190 HydrophobicContact CG2-CD1 4.4Å; I158-L190 HydrophobicContact CG2-CD2 3.84Å; L190-V192 HydrophobicContact CD1-CG2 4.32Å; L190-F199 HydrophobicContact CB-CD2 4.46Å; L190-I200 CarbonylContact C-O 3.51Å; L190-I200 WeakPolarHBondContact CA-O 3.43Å
191	A	98.1	Very high	97.3	Very high	13 Å²	13	41.8 Å²	41.8	11%	0.107	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	143.4	170	0	0	0	0	0	110.3	F199 I200 I232 F234	A191-F199 CarbonylContact O-C 3.46Å; A191-F199 VanDerWaalsContact O-CA 3.27Å; A191-F199 WeakPolarHBondContact O-CA 3.37Å; A191-F199 VanDerWaalsContact O-CB 3.31Å; A191-F199 WeakPolarHBondContact O-CB 3.44Å; A191-I200 HydrophobicContact CB-CG2 3.98Å; A191-I200 PolarHBondContact N-O 3.29Å; A191-I200 PolarHBondContact O-N 2.82Å; A191-I232 HydrophobicContact CB-CG2 4.2Å; A191-F234 HydrophobicContact CB-CD2 4.07Å; A191-F234 WeakPolarHBondContact O-CE2 3.13Å
192	V	98	Very high	97.4	Very high	28 Å²	28	38.4 Å²	38.4	17%	0.17	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	138.4	177.7	-177.4	0	0	0	0	108.9	R150 I158 L190 F196 F199 I213 F234	R150-V192 HydrophobicContact CB-CG2 3.68Å; R150-V192 HydrophobicContact CG-CG2 4.35Å; I158-V192 HydrophobicContact CD1-CG2 4.32Å; L190-V192 HydrophobicContact CD1-CG2 4.32Å; V192-F196 HydrophobicContact CG1-CD1 3.67Å; V192-F196 HydrophobicContact CG1-CE1 4.22Å; V192-F196 HydrophobicContact CG1-CG 4.39Å; V192-F199 HydrophobicContact CG2-CB 4.38Å; V192-I213 HydrophobicContact CG1-CD1 4.35Å; V192-F234 VanDerWaalsContact C-CD2 3.5Å; V192-F234 WeakPolarHBondContact O-CD2 3.31Å
193	A	96.9	Very high	97.5	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.033	19%	0.189	C	C	.	.			trans	-64.9	151.1	177.4	0	0	0	0	0	110.8	D195 F196 F198 F234	A193-D195 WeakPolarHBondContact CB-OD1 3.16Å; A193-D195 PolarHBondContact O-N 2.87Å; A193-F196 PolarHBondContact O-N 2.81Å; A193-F198 HydrophobicContact CB-CB 4.17Å; A193-F198 VanDerWaalsContact CB-O 3.24Å; A193-F198 WeakPolarHBondContact CB-O 3.37Å; A193-F198 PolarHBondContact N-O 3.21Å; A193-F234 HydrophobicContact CB-CD1 4.31Å; A193-F234 HydrophobicContact CB-CD2 4.23Å; A193-F234 HydrophobicContact CB-CE1 3.94Å; A193-F234 HydrophobicContact CB-CE2 3.85Å; A193-F234 HydrophobicContact CB-CG 4.44Å; A193-F234 HydrophobicContact CB-CZ 3.7Å; A193-F234 VanDerWaalsContact N-CE2 3.31Å
194	P	93.4	Very high	97.5	Very high	73 Å²	73	37.9 Å²	37.9	47%	0.474	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.7	178.7	-26	34.6	0	0	0	114.7
195	D	93.7	Very high	97.6	Very high	78 Å²	78	31.9 Å²	31.9	42%	0.417	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	0.2	178.5	76.8	-13.4	0	0	0	114.1	A193 K197	A193-D195 WeakPolarHBondContact CB-OD1 3.16Å; A193-D195 PolarHBondContact O-N 2.87Å; D195-K197 PolarHBondContact O-N 2.55Å; D195-K197 VanDerWaalsContact O-N 3.12Å; D195-K197 PolarHBondContact OD1-N 2.74Å; D195-K197 VanDerWaalsContact OD2-CD 3.29Å; D195-K197 WeakPolarHBondContact OD2-CD 3.27Å; D195-K197 IonicContact OD2-NZ 2.77Å
196	F	95.7	Very high	97.6	Very high	92 Å²	92	35.5 Å²	35.5	40%	0.404	18%	0.182	S	C	.	.	S	Bend	trans	56.7	19.3	-178.7	-61.9	-88.2	0	0	0	115.2	I152 V192 A193 I213	I152-F196 HydrophobicContact CB-CD1 4.36Å; I152-F196 HydrophobicContact CG2-CB 4.21Å; I152-F196 HydrophobicContact CG2-CD1 3.9Å; I152-F196 HydrophobicContact CG2-CG 4.39Å; V192-F196 HydrophobicContact CG1-CD1 3.67Å; V192-F196 HydrophobicContact CG1-CE1 4.22Å; V192-F196 HydrophobicContact CG1-CG 4.39Å; A193-F196 PolarHBondContact O-N 2.81Å; F196-I213 WeakPolarHBondContact O-CD1 3.49Å
197	K	96.6	Very high	97.6	Very high	129 Å²	129	33.9 Å²	33.9	56%	0.561	18%	0.175	S	C	*	.	S	Bend	trans	-93.4	-31.1	176.8	-62.9	-176.8	-164.4	155.2	0	112.9	D195 I213	D195-K197 PolarHBondContact O-N 2.55Å; D195-K197 VanDerWaalsContact O-N 3.12Å; D195-K197 PolarHBondContact OD1-N 2.74Å; D195-K197 VanDerWaalsContact OD2-CD 3.29Å; D195-K197 WeakPolarHBondContact OD2-CD 3.27Å; D195-K197 IonicContact OD2-NZ 2.77Å; K197-I213 WeakPolarHBondContact O-CB 3.2Å; K197-I213 WeakPolarHBondContact O-CG1 3.19Å; K197-I213 PolarHBondContact O-N 2.97Å
198	F	98.3	Very high	97.6	Very high	57 Å²	57	34 Å²	34	25%	0.25	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	156.6	-179.3	-58.3	-80.8	0	0	0	111	A193 L210 W211 D212 R219	A193-F198 HydrophobicContact CB-CB 4.17Å; A193-F198 VanDerWaalsContact CB-O 3.24Å; A193-F198 WeakPolarHBondContact CB-O 3.37Å; A193-F198 PolarHBondContact N-O 3.21Å; F198-L210 HydrophobicContact CB-CD1 3.88Å; F198-L210 HydrophobicContact CB-CG 4.5Å; F198-L210 HydrophobicContact CD1-CD2 4.42Å; F198-L210 HydrophobicContact CD1-CG 4.35Å; F198-L210 HydrophobicContact CG-CD1 4.43Å; F198-W211 VanDerWaalsContact CA-O 3.24Å; F198-W211 WeakPolarHBondContact CA-O 3.49Å; F198-W211 WeakPolarHBondContact CD1-O 3.3Å; F198-D212 HydrophobicContact CD1-CB 4.15Å; F198-D212 HydrophobicContact CE1-CB 3.9Å; F198-D212 WeakPolarHBondContact CE1-OD2 3.42Å; F198-R219 HydrophobicContact CE1-CG 4.15Å
199	F	98.7	Very high	97.6	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	159.7	160.5	76.6	-83.2	0	0	0	109.5	I158 C166 Y180 L190 A191 V192 W211 I213	I158-F199 HydrophobicContact CD1-CB 4.11Å; I158-F199 HydrophobicContact CD1-CD1 3.72Å; I158-F199 HydrophobicContact CD1-CE1 4.28Å; I158-F199 HydrophobicContact CD1-CG 3.96Å; I158-F199 HydrophobicContact CG2-CD2 4.38Å; I158-F199 HydrophobicContact CG2-CE2 4.3Å; I158-F199 HydrophobicContact CG2-CZ 4.39Å; C166-F199 HydrophobicContact CB-CE2 3.88Å; C166-F199 HydrophobicContact CB-CZ 3.9Å; Y180-F199 AromaticContact CD1-CE1 3.83Å; Y180-F199 HydrophobicContact CD1-CE1 3.83Å; Y180-F199 AromaticContact CD1-CZ 3.98Å; Y180-F199 HydrophobicContact CD1-CZ 3.98Å; Y180-F199 AromaticContact CD2-CE1 3.78Å; Y180-F199 HydrophobicContact CD2-CE1 3.78Å; Y180-F199 AromaticContact CD2-CZ 3.6Å; Y180-F199 HydrophobicContact CD2-CZ 3.6Å; Y180-F199 AromaticContact CE1-CE1 3.7Å; Y180-F199 HydrophobicContact CE1-CE1 3.7Å; Y180-F199 HydrophobicContact CE1-CZ 4.3Å; Y180-F199 AromaticContact CE2-CE1 3.67Å; Y180-F199 HydrophobicContact CE2-CE1 3.67Å; Y180-F199 AromaticContact CE2-CZ 3.97Å; Y180-F199 HydrophobicContact CE2-CZ 3.97Å; Y180-F199 AromaticContact CG-CE1 3.88Å; Y180-F199 HydrophobicContact CG-CE1 3.88Å; Y180-F199 AromaticContact CG-CZ 3.62Å; Y180-F199 HydrophobicContact CG-CZ 3.62Å; Y180-F199 AromaticContact CZ-CE1 3.66Å; L190-F199 HydrophobicContact CB-CD2 4.46Å; A191-F199 CarbonylContact O-C 3.46Å; A191-F199 VanDerWaalsContact O-CA 3.27Å; A191-F199 WeakPolarHBondContact O-CA 3.37Å; A191-F199 VanDerWaalsContact O-CB 3.31Å; A191-F199 WeakPolarHBondContact O-CB 3.44Å; V192-F199 HydrophobicContact CG2-CB 4.38Å; F199-W211 HydrophobicContact CD1-CB 3.63Å; F199-W211 HydrophobicContact CD1-CG 4.37Å; F199-W211 HydrophobicContact CD2-CB 4.46Å; F199-W211 AromaticContact CD2-CD1 3.83Å; F199-W211 HydrophobicContact CD2-CG 4.44Å; F199-W211 HydrophobicContact CE1-CB 3.21Å; F199-W211 AromaticContact CE1-CG 3.75Å; F199-W211 HydrophobicContact CE1-CG 3.75Å; F199-W211 HydrophobicContact CE2-CB 4.1Å; F199-W211 AromaticContact CE2-CD1 3.28Å; F199-W211 AromaticContact CE2-CG 3.79Å; F199-W211 HydrophobicContact CE2-CG 3.79Å; F199-W211 AromaticContact CE2-NE1 3.92Å; F199-W211 HydrophobicContact CG-CB 4.26Å; F199-W211 HydrophobicContact CZ-CB 3.46Å; F199-W211 VanDerWaalsContact CZ-CB 3.46Å; F199-W211 AromaticContact CZ-CD1 3.42Å; F199-W211 VanDerWaalsContact CZ-CD1 3.42Å; F199-W211 HydrophobicContact CZ-CD2 4.18Å; F199-W211 AromaticContact CZ-CG 3.4Å; F199-W211 HydrophobicContact CZ-CG 3.4Å; F199-W211 VanDerWaalsContact CZ-CG 3.4Å; F199-W211 PolarHBondContact N-O 3.1Å; F199-W211 VanDerWaalsContact N-O 3.08Å; F199-W211 PolarHBondContact O-N 3.23Å; F199-I213 HydrophobicContact CB-CD1 4.45Å; F199-I213 HydrophobicContact CD1-CD1 4.37Å; F199-I213 HydrophobicContact CD1-CG1 3.68Å; F199-I213 HydrophobicContact CE1-CG1 4.43Å
200	I	98.7	Very high	97.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140.2	175.3	-167.2	87.5	0	0	0	108.8	L190 A191 A208 K209 L210 F222 I232 F234 V241	L190-I200 CarbonylContact C-O 3.51Å; L190-I200 WeakPolarHBondContact CA-O 3.43Å; A191-I200 HydrophobicContact CB-CG2 3.98Å; A191-I200 PolarHBondContact N-O 3.29Å; A191-I200 PolarHBondContact O-N 2.82Å; I200-A208 HydrophobicContact CD1-CB 4.43Å; I200-A208 HydrophobicContact CG1-CB 4.37Å; I200-K209 VanDerWaalsContact CA-O 3.3Å; I200-K209 WeakPolarHBondContact CA-O 3.28Å; I200-K209 WeakPolarHBondContact CD1-O 3.15Å; I200-K209 WeakPolarHBondContact CG1-O 3.43Å; I200-L210 HydrophobicContact CD1-CB 3.88Å; I200-L210 HydrophobicContact CD1-CD1 4.19Å; I200-F222 HydrophobicContact CD1-CD2 3.97Å; I200-F222 HydrophobicContact CD1-CE2 3.85Å; I200-I232 HydrophobicContact CB-CD1 4.13Å; I200-I232 HydrophobicContact CG1-CD1 3.31Å; I200-I232 HydrophobicContact CG1-CG1 4.15Å; I200-I232 HydrophobicContact CG2-CD1 3.79Å; I200-I232 HydrophobicContact CG2-CG1 3.75Å; I200-I232 HydrophobicContact CG2-CG2 4.1Å; I200-F234 HydrophobicContact CB-CE2 3.95Å; I200-F234 HydrophobicContact CB-CZ 4.04Å; I200-F234 HydrophobicContact CG2-CD2 3.99Å; I200-F234 HydrophobicContact CG2-CE2 3.58Å; I200-F234 HydrophobicContact CG2-CZ 4.1Å; I200-V241 HydrophobicContact CB-CG2 4.44Å; I200-V241 HydrophobicContact CD1-CG1 4.34Å; I200-V241 HydrophobicContact CD1-CG2 4.18Å; I200-V241 HydrophobicContact CG1-CG1 3.88Å; I200-V241 HydrophobicContact CG1-CG2 4.25Å; I200-V241 HydrophobicContact CG2-CG1 4.19Å; I200-V241 HydrophobicContact CG2-CG2 4.47Å
201	S	98.7	Very high	97.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	144.5	171.9	56.4	0	0	0	0	111.1	H183 S189 A208 K209 W211	H183-S201 PolarHBondContact CD2-OG 3.48Å; H183-S201 PolarHBondContact NE2-OG 3.1Å; S189-S201 VanDerWaalsContact O-CA 3.29Å; S189-S201 WeakPolarHBondContact O-CA 3.39Å; S201-A208 CarbonylContact O-C 3.49Å; S201-A208 WeakPolarHBondContact O-CA 3.37Å; S201-K209 PolarHBondContact N-O 3.08Å; S201-K209 PolarHBondContact O-N 2.93Å; S201-W211 PolarHBondContact OG-NE1 2.93Å
202	G	98.6	Very high	97.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	142.8	170.4	0	0	0	0	0	110.5	M188 S189 V229	M188-G202 PolarHBondContact N-O 3.38Å; S189-G202 PolarHBondContact N-O 3.47Å; S189-G202 PolarHBondContact O-N 2.86Å; G202-V229 CarbonylContact C-O 3.59Å
203	A	98.6	Very high	97.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	170.7	-172	0	0	0	0	0	114.1	H183 D186 D205 F206 T207 V229	H183-A203 HydrophobicContact CB-CB 4.24Å; H183-A203 VanDerWaalsContact ND1-CB 3.3Å; H183-A203 WeakPolarHBondContact ND1-CB 3.31Å; D186-A203 CarbonylContact O-C 3.54Å; D186-A203 WeakPolarHBondContact O-CA 3.35Å; D186-A203 VanDerWaalsContact O-CB 3.28Å; D186-A203 WeakPolarHBondContact O-CB 3.28Å; A203-D205 PolarHBondContact O-N 2.89Å; A203-F206 PolarHBondContact O-N 3.45Å; A203-T207 PolarHBondContact N-O 2.81Å; A203-V229 PolarHBondContact O-N 3.11Å; A203-V229 VanDerWaalsContact O-N 3.08Å
204	C	98.6	Very high	97.7	Very high	30 Å²	30	43.3 Å²	43.3	20%	0.203	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	4.1	172.9	-61.9	0	0	0	0	114	D186 M188 F206 D228	D186-C204 HydrophobicContact CB-CB 4.39Å; D186-C204 PolarHBondContact O-N 3.04Å; M188-C204 VanDerWaalsContact CG-SG 3.59Å; C204-F206 WeakPolarHBondContact O-CD1 2.93Å; C204-F206 WeakPolarHBondContact O-CE1 3.47Å; C204-D228 VanDerWaalsContact CA-OD1 3.32Å; C204-D228 WeakPolarHBondContact CA-OD1 3.3Å; C204-D228 HydrophobicContact CB-CB 4.48Å; C204-D228 WeakPolarHBondContact CB-OD1 3.3Å; C204-D228 PolarHBondContact SG-OD2 2.51Å
205	D	98.3	Very high	97.9	Very high	35 Å²	35	45.2 Å²	45.2	19%	0.187	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	10.5	166.8	65.7	16	0	0	0	112.9	H183 Q184 A203 T207	H183-D205 VanDerWaalsContact CA-OD2 3.25Å; H183-D205 WeakPolarHBondContact CA-OD2 3.22Å; H183-D205 WeakPolarHBondContact CB-OD2 3.17Å; H183-D205 IonicContact CE1-OD1 3.23Å; H183-D205 IonicContact CE1-OD2 2.71Å; H183-D205 IonicContact CG-OD2 2.83Å; H183-D205 IonicContact ND1-OD1 3.44Å; H183-D205 PolarHBondContact ND1-OD1 2.92Å; H183-D205 IonicContact ND1-OD2 3.67Å; H183-D205 PolarHBondContact ND1-OD2 3.29Å; Q184-D205 HydrophobicContact CB-CB 4.18Å; Q184-D205 PolarHBondContact N-OD2 3.04Å; A203-D205 PolarHBondContact O-N 2.89Å; D205-T207 VanDerWaalsContact CG-OG1 3.31Å; D205-T207 PolarHBondContact O-N 3.4Å; D205-T207 WeakPolarHBondContact OD1-CB 3.27Å; D205-T207 PolarHBondContact OD1-N 2.88Å; D205-T207 PolarHBondContact OD1-OG1 3.2Å; D205-T207 PolarHBondContact OD2-OG1 3.33Å
206	F	98.4	Very high	98.1	Very high	87 Å²	87	42.5 Å²	42.5	38%	0.382	20%	0.195	S	C	.	.	S	Bend	trans	65.6	14.1	179.7	-40.8	-26.4	0	0	0	113.7	A203 C204 S227 D228	A203-F206 PolarHBondContact O-N 3.45Å; C204-F206 WeakPolarHBondContact O-CD1 2.93Å; C204-F206 WeakPolarHBondContact O-CE1 3.47Å; F206-S227 VanDerWaalsContact CD1-CA 3.48Å; F206-S227 WeakPolarHBondContact CD1-O 3.4Å; F206-D228 VanDerWaalsContact CE1-OD1 3.29Å; F206-D228 WeakPolarHBondContact CE1-OD1 3.32Å
207	T	98.3	Very high	98.1	Very high	23 Å²	23	40.9 Å²	40.9	14%	0.141	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	155.8	179.9	74.5	0	0	0	0	112.7	A203 D205 T221 F222	A203-T207 PolarHBondContact N-O 2.81Å; D205-T207 VanDerWaalsContact CG-OG1 3.31Å; D205-T207 PolarHBondContact O-N 3.4Å; D205-T207 WeakPolarHBondContact OD1-CB 3.27Å; D205-T207 PolarHBondContact OD1-N 2.88Å; D205-T207 PolarHBondContact OD1-OG1 3.2Å; D205-T207 PolarHBondContact OD2-OG1 3.33Å; T207-T221 HydrophobicContact CG2-CG2 4.01Å; T207-F222 WeakPolarHBondContact CA-O 3.16Å; T207-F222 WeakPolarHBondContact CB-O 3.29Å
208	A	98.6	Very high	98.2	Very high	3 Å²	3	37.3 Å²	37.3	3%	0.025	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	139.4	162.5	0	0	0	0	0	110.3	I200 S201 T221 F222 I232 T243	I200-A208 HydrophobicContact CD1-CB 4.43Å; I200-A208 HydrophobicContact CG1-CB 4.37Å; S201-A208 CarbonylContact O-C 3.49Å; S201-A208 WeakPolarHBondContact O-CA 3.37Å; A208-T221 CarbonylContact O-C 3.6Å; A208-T221 WeakPolarHBondContact O-CA 3.2Å; A208-F222 HydrophobicContact CB-CB 4.3Å; A208-F222 HydrophobicContact CB-CD2 4.43Å; A208-F222 PolarHBondContact N-O 3.47Å; A208-F222 PolarHBondContact O-N 3.01Å; A208-I232 HydrophobicContact CB-CD1 3.6Å; A208-T243 HydrophobicContact CB-CG2 3.97Å
209	K	98.8	Very high	98.2	Very high	26 Å²	26	39.9 Å²	39.9	11%	0.113	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.1	-178	-69	-179.3	-173.2	-74.1	0	111.8	G182 I200 S201 W211 Q220 T221	G182-K209 VanDerWaalsContact O-CE 3.32Å; G182-K209 WeakPolarHBondContact O-CE 3.48Å; I200-K209 VanDerWaalsContact CA-O 3.3Å; I200-K209 WeakPolarHBondContact CA-O 3.28Å; I200-K209 WeakPolarHBondContact CD1-O 3.15Å; I200-K209 WeakPolarHBondContact CG1-O 3.43Å; S201-K209 PolarHBondContact N-O 3.08Å; S201-K209 PolarHBondContact O-N 2.93Å; K209-W211 HydrophobicContact CB-CZ2 3.79Å; K209-W211 HydrophobicContact CD-CH2 4.2Å; K209-W211 HydrophobicContact CD-CZ2 3.64Å; K209-W211 HydrophobicContact CG-CZ2 4.35Å; K209-W211 PolarHBondContact O-NE1 3.25Å; K209-Q220 WeakPolarHBondContact CA-O 3.48Å; K209-T221 HydrophobicContact CG-CG2 4.14Å; K209-T221 PolarHBondContact NZ-OG1 3.1Å
210	L	98.8	Very high	98.2	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.6	174.1	-174.8	75.1	0	0	0	109.6	F198 I200 C218 R219 Q220 F222 F234 L255	F198-L210 HydrophobicContact CB-CD1 3.88Å; F198-L210 HydrophobicContact CB-CG 4.5Å; F198-L210 HydrophobicContact CD1-CD2 4.42Å; F198-L210 HydrophobicContact CD1-CG 4.35Å; F198-L210 HydrophobicContact CG-CD1 4.43Å; I200-L210 HydrophobicContact CD1-CB 3.88Å; I200-L210 HydrophobicContact CD1-CD1 4.19Å; L210-C218 CarbonylContact O-C 3.54Å; L210-C218 WeakPolarHBondContact O-CA 3.33Å; L210-R219 HydrophobicContact CD2-CB 4.2Å; L210-R219 PolarHBondContact O-N 2.91Å; L210-Q220 HydrophobicContact CB-CB 4.14Å; L210-Q220 PolarHBondContact N-O 3.28Å; L210-F222 HydrophobicContact CB-CE2 4.24Å; L210-F234 HydrophobicContact CD1-CE1 4.38Å; L210-F234 HydrophobicContact CD1-CZ 3.93Å; L210-L255 HydrophobicContact CD1-CD1 4.46Å; L210-L255 HydrophobicContact CD1-CD2 4.29Å; L210-L255 HydrophobicContact CD2-CD1 4.27Å; L210-L255 HydrophobicContact CD2-CD2 4.11Å
211	W	98.8	Very high	98.2	Very high	4 Å²	4	44 Å²	44	2%	0.015	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134.8	-175.8	-55.3	94.1	0	0	0	110.6	Y180 F198 F199 S201 K209 T217 C218	Y180-W211 HydrophobicContact CD1-CB 4.08Å; Y180-W211 HydrophobicContact CD1-CD2 4.21Å; Y180-W211 AromaticContact CD1-CE3 3.81Å; Y180-W211 HydrophobicContact CD1-CE3 3.81Å; Y180-W211 HydrophobicContact CD1-CG 4.35Å; Y180-W211 HydrophobicContact CE1-CB 4.38Å; Y180-W211 HydrophobicContact CG-CD2 4.43Å; Y180-W211 HydrophobicContact CG-CE3 4.21Å; F198-W211 VanDerWaalsContact CA-O 3.24Å; F198-W211 WeakPolarHBondContact CA-O 3.49Å; F198-W211 WeakPolarHBondContact CD1-O 3.3Å; F199-W211 HydrophobicContact CD1-CB 3.63Å; F199-W211 HydrophobicContact CD1-CG 4.37Å; F199-W211 HydrophobicContact CD2-CB 4.46Å; F199-W211 AromaticContact CD2-CD1 3.83Å; F199-W211 HydrophobicContact CD2-CG 4.44Å; F199-W211 HydrophobicContact CE1-CB 3.21Å; F199-W211 AromaticContact CE1-CG 3.75Å; F199-W211 HydrophobicContact CE1-CG 3.75Å; F199-W211 HydrophobicContact CE2-CB 4.1Å; F199-W211 AromaticContact CE2-CD1 3.28Å; F199-W211 AromaticContact CE2-CG 3.79Å; F199-W211 HydrophobicContact CE2-CG 3.79Å; F199-W211 AromaticContact CE2-NE1 3.92Å; F199-W211 HydrophobicContact CG-CB 4.26Å; F199-W211 HydrophobicContact CZ-CB 3.46Å; F199-W211 VanDerWaalsContact CZ-CB 3.46Å; F199-W211 AromaticContact CZ-CD1 3.42Å; F199-W211 VanDerWaalsContact CZ-CD1 3.42Å; F199-W211 HydrophobicContact CZ-CD2 4.18Å; F199-W211 AromaticContact CZ-CG 3.4Å; F199-W211 HydrophobicContact CZ-CG 3.4Å; F199-W211 VanDerWaalsContact CZ-CG 3.4Å; F199-W211 PolarHBondContact N-O 3.1Å; F199-W211 VanDerWaalsContact N-O 3.08Å; F199-W211 PolarHBondContact O-N 3.23Å; S201-W211 PolarHBondContact OG-NE1 2.93Å; K209-W211 HydrophobicContact CB-CZ2 3.79Å; K209-W211 HydrophobicContact CD-CH2 4.2Å; K209-W211 HydrophobicContact CD-CZ2 3.64Å; K209-W211 HydrophobicContact CG-CZ2 4.35Å; K209-W211 PolarHBondContact O-NE1 3.25Å; W211-T217 WeakPolarHBondContact CA-O 3.37Å; W211-C218 HydrophobicContact CD2-CB 4.34Å; W211-C218 HydrophobicContact CE3-CB 3.67Å; W211-C218 HydrophobicContact CH2-CB 3.99Å; W211-C218 HydrophobicContact CZ3-CB 3.49Å; W211-C218 VanDerWaalsContact CZ3-CB 3.49Å
212	D	98.4	Very high	98.1	Very high	16 Å²	16	44.1 Å²	44.1	9%	0.086	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	117.3	169.1	-169.3	-55.7	0	0	0	109.4	Y180 F198 R214 E215 G216 T217 R219	Y180-D212 WeakPolarHBondContact CE1-O 3.46Å; F198-D212 HydrophobicContact CD1-CB 4.15Å; F198-D212 HydrophobicContact CE1-CB 3.9Å; F198-D212 WeakPolarHBondContact CE1-OD2 3.42Å; D212-R214 VanDerWaalsContact C-N 3.28Å; D212-R214 PolarHBondContact O-N 3.02Å; D212-R214 PolarHBondContact OD1-N 3.23Å; D212-E215 HydrophobicContact CB-CB 4.07Å; D212-E215 PolarHBondContact OD1-N 2.87Å; D212-G216 PolarHBondContact O-N 3.23Å; D212-T217 PolarHBondContact N-O 2.96Å; D212-R219 HydrophobicContact CB-CG 4.12Å; D212-R219 IonicContact OD2-CZ 2.97Å; D212-R219 IonicContact OD2-NE 3.86Å; D212-R219 PolarHBondContact OD2-NE 2.61Å; D212-R219 IonicContact OD2-NH2 3.23Å; D212-R219 PolarHBondContact OD2-NH2 3.49Å
213	I	98	Very high	98.1	Very high	15 Å²	15	47.2 Å²	47.2	8%	0.077	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-39.6	-174.9	-69.5	170.4	0	0	0	110.5	I152 I158 L168 Y180 V192 F196 K197 F199	I152-I213 HydrophobicContact CD1-CD1 4.12Å; I152-I213 HydrophobicContact CD1-CG2 3.88Å; I158-I213 HydrophobicContact CD1-CD1 3.8Å; I158-I213 HydrophobicContact CD1-CG1 3.97Å; L168-I213 HydrophobicContact CD2-CG2 4.02Å; Y180-I213 WeakPolarHBondContact OH-CA 3.36Å; Y180-I213 PolarHBondContact OH-O 3.15Å; V192-I213 HydrophobicContact CG1-CD1 4.35Å; F196-I213 WeakPolarHBondContact O-CD1 3.49Å; K197-I213 WeakPolarHBondContact O-CB 3.2Å; K197-I213 WeakPolarHBondContact O-CG1 3.19Å; K197-I213 PolarHBondContact O-N 2.97Å; F199-I213 HydrophobicContact CB-CD1 4.45Å; F199-I213 HydrophobicContact CD1-CD1 4.37Å; F199-I213 HydrophobicContact CD1-CG1 3.68Å; F199-I213 HydrophobicContact CE1-CG1 4.43Å
214	R	96.7	Very high	97.9	Very high	236 Å²	236	49.1 Å²	49.1	89%	0.891	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-42.6	-174.6	-178.8	-179.8	175.7	-175.6	-1.3	112	D212	D212-R214 VanDerWaalsContact C-N 3.28Å; D212-R214 PolarHBondContact O-N 3.02Å; D212-R214 PolarHBondContact OD1-N 3.23Å
215	E	97.1	Very high	97.9	Very high	113 Å²	113	48.4 Å²	48.4	53%	0.528	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-21.8	-177.9	-70.4	-172.8	-162.7	0	0	113.2	D212 T217 R219	D212-E215 HydrophobicContact CB-CB 4.07Å; D212-E215 PolarHBondContact OD1-N 2.87Å; E215-T217 VanDerWaalsContact C-N 3.31Å; E215-T217 HydrophobicContact CB-CG2 4.48Å; E215-R219 IonicContact OE1-CZ 3.67Å; E215-R219 IonicContact OE1-NH1 3.7Å; E215-R219 IonicContact OE1-NH2 3.39Å; E215-R219 PolarHBondContact OE1-NH2 2.84Å; E215-R219 IonicContact OE2-CZ 3.8Å; E215-R219 IonicContact OE2-NE 3.59Å; E215-R219 IonicContact OE2-NH1 3.64Å; E215-R219 PolarHBondContact OE2-NH1 3.28Å; E215-R219 IonicContact OE2-NH2 2.82Å; E215-R219 PolarHBondContact OE2-NH2 2.8Å
216	G	96.8	Very high	97.9	Very high	20 Å²	20	54.8 Å²	54.8	21%	0.206	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	16.2	-178.9	0	0	0	0	0	114	D212	D212-G216 PolarHBondContact O-N 3.23Å
217	T	96.7	Very high	97.9	Very high	59 Å²	59	52.3 Å²	52.3	36%	0.362	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	147.6	-170.5	59.8	0	0	0	0	112.6	W211 D212 E215	W211-T217 WeakPolarHBondContact CA-O 3.37Å; D212-T217 PolarHBondContact N-O 2.96Å; E215-T217 VanDerWaalsContact C-N 3.31Å; E215-T217 HydrophobicContact CB-CG2 4.48Å
218	C	98.3	Very high	97.9	Very high	53 Å²	53	53.3 Å²	53.3	36%	0.358	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	122.1	168.8	-175.9	0	0	0	0	109	L210 W211 Q220	L210-C218 CarbonylContact O-C 3.54Å; L210-C218 WeakPolarHBondContact O-CA 3.33Å; W211-C218 HydrophobicContact CD2-CB 4.34Å; W211-C218 HydrophobicContact CE3-CB 3.67Å; W211-C218 HydrophobicContact CH2-CB 3.99Å; W211-C218 HydrophobicContact CZ3-CB 3.49Å; W211-C218 VanDerWaalsContact CZ3-CB 3.49Å; C218-Q220 PolarHBondContact SG-O 3.33Å; C218-Q220 VanDerWaalsContact SG-O 3.35Å
219	R	98.3	Very high	97.9	Very high	111 Å²	111	53.2 Å²	53.2	42%	0.419	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-41.6	176.9	-62.5	-60.6	-158.4	176.8	6.3	112.3	F198 L210 D212 E215	F198-R219 HydrophobicContact CE1-CG 4.15Å; L210-R219 HydrophobicContact CD2-CB 4.2Å; L210-R219 PolarHBondContact O-N 2.91Å; D212-R219 HydrophobicContact CB-CG 4.12Å; D212-R219 IonicContact OD2-CZ 2.97Å; D212-R219 IonicContact OD2-NE 3.86Å; D212-R219 PolarHBondContact OD2-NE 2.61Å; D212-R219 IonicContact OD2-NH2 3.23Å; D212-R219 PolarHBondContact OD2-NH2 3.49Å; E215-R219 IonicContact OE1-CZ 3.67Å; E215-R219 IonicContact OE1-NH1 3.7Å; E215-R219 IonicContact OE1-NH2 3.39Å; E215-R219 PolarHBondContact OE1-NH2 2.84Å; E215-R219 IonicContact OE2-CZ 3.8Å; E215-R219 IonicContact OE2-NE 3.59Å; E215-R219 IonicContact OE2-NH1 3.64Å; E215-R219 PolarHBondContact OE2-NH1 3.28Å; E215-R219 IonicContact OE2-NH2 2.82Å; E215-R219 PolarHBondContact OE2-NH2 2.8Å
220	Q	98.3	Very high	97.9	Very high	41 Å²	41	52.9 Å²	52.9	19%	0.192	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	150.8	-174.1	-63.7	179.8	-69.6	0	0	111.1	K209 L210 C218 F222 L255 D258	K209-Q220 WeakPolarHBondContact CA-O 3.48Å; L210-Q220 HydrophobicContact CB-CB 4.14Å; L210-Q220 PolarHBondContact N-O 3.28Å; C218-Q220 PolarHBondContact SG-O 3.33Å; C218-Q220 VanDerWaalsContact SG-O 3.35Å; Q220-F222 HydrophobicContact CB-CE2 4.11Å; Q220-F222 HydrophobicContact CB-CZ 3.93Å; Q220-L255 PolarHBondContact NE2-O 3.28Å; Q220-L255 PolarHBondContact OE1-O 3.12Å; Q220-D258 PolarHBondContact NE2-OD1 2.91Å
221	T	98.4	Very high	97.8	Very high	46 Å²	46	52.9 Å²	52.9	28%	0.282	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.6	170.7	-62.3	0	0	0	0	108.9	R22 T207 A208 K209	R22-T221 PolarHBondContact NH2-O 2.85Å; T207-T221 HydrophobicContact CG2-CG2 4.01Å; A208-T221 CarbonylContact O-C 3.6Å; A208-T221 WeakPolarHBondContact O-CA 3.2Å; K209-T221 HydrophobicContact CG-CG2 4.14Å; K209-T221 PolarHBondContact NZ-OG1 3.1Å
222	F	98.4	Very high	97.8	Very high	3 Å²	3	53.4 Å²	53.4	1%	0.013	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	124.9	175.9	-55	-75.4	0	0	0	109.1	I200 T207 A208 L210 Q220 F253 L255	I200-F222 HydrophobicContact CD1-CD2 3.97Å; I200-F222 HydrophobicContact CD1-CE2 3.85Å; T207-F222 WeakPolarHBondContact CA-O 3.16Å; T207-F222 WeakPolarHBondContact CB-O 3.29Å; A208-F222 HydrophobicContact CB-CB 4.3Å; A208-F222 HydrophobicContact CB-CD2 4.43Å; A208-F222 PolarHBondContact N-O 3.47Å; A208-F222 PolarHBondContact O-N 3.01Å; L210-F222 HydrophobicContact CB-CE2 4.24Å; Q220-F222 HydrophobicContact CB-CE2 4.11Å; Q220-F222 HydrophobicContact CB-CZ 3.93Å; F222-F253 HydrophobicContact CB-CD1 3.81Å; F222-F253 HydrophobicContact CB-CE1 3.98Å; F222-F253 HydrophobicContact CB-CG 4.12Å; F222-F253 HydrophobicContact CB-CZ 4.4Å; F222-F253 HydrophobicContact CD1-CB 3.91Å; F222-F253 AromaticContact CD1-CD1 3.78Å; F222-F253 HydrophobicContact CD1-CD1 3.78Å; F222-F253 HydrophobicContact CD1-CG 4.06Å; F222-F253 HydrophobicContact CE1-CB 4.25Å; F222-F253 HydrophobicContact CG-CB 4.26Å; F222-F253 HydrophobicContact CG-CD1 4.07Å; F222-F253 HydrophobicContact CG-CG 4.17Å; F222-L255 HydrophobicContact CE2-CD2 3.85Å; F222-L255 HydrophobicContact CZ-CD2 3.48Å; F222-L255 VanDerWaalsContact CZ-CD2 3.48Å
223	S	96.7	Very high	97.7	Very high	64 Å²	64	53.1 Å²	53.1	45%	0.448	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.3	178	55.4	0	0	0	0	108.6	R22	R22-S223 PolarHBondContact NH1-OG 2.97Å
224	G	96.2	Very high	97.7	Very high	40 Å²	40	53.2 Å²	53.2	41%	0.412	28%	0.279	S	S	.	.			trans	157.2	-16.3	178.1	0	0	0	0	0	114.2	K251	G224-K251 VanDerWaalsContact O-CE 3.22Å; G224-K251 WeakPolarHBondContact O-CE 3.41Å
225	H	98.3	Very high	97.8	Very high	16 Å²	16	44 Å²	44	7%	0.074	25%	0.246	C	C	.	.			trans	-76.4	153	169	-79.6	-64.9	0	0	0	111.8	V229 T243 S245 D247 T249	H225-V229 HydrophobicContact CB-CG2 4.2Å; H225-T243 WeakPolarHBondContact NE2-CB 3.43Å; H225-T243 PolarHBondContact NE2-OG1 3.01Å; H225-S245 VanDerWaalsContact CE1-CB 3.42Å; H225-S245 WeakPolarHBondContact CE1-CB 3.49Å; H225-S245 WeakPolarHBondContact ND1-CB 3.36Å; H225-D247 VanDerWaalsContact CA-OD2 3.31Å; H225-D247 WeakPolarHBondContact CA-OD2 3.46Å; H225-D247 WeakPolarHBondContact CB-OD2 3.4Å; H225-D247 IonicContact CE1-OD1 2.74Å; H225-D247 IonicContact CE1-OD2 3.31Å; H225-D247 IonicContact CG-OD2 2.95Å; H225-D247 IonicContact ND1-OD1 3.86Å; H225-D247 PolarHBondContact ND1-OD1 2.96Å; H225-D247 IonicContact ND1-OD2 3.93Å; H225-D247 PolarHBondContact ND1-OD2 3.36Å; H225-T249 PolarHBondContact CE1-OG1 3.3Å; H225-T249 PolarHBondContact ND1-OG1 3.2Å
226	E	98	Very high	97.7	Very high	168 Å²	168	41.1 Å²	41.1	79%	0.785	24%	0.237	S	C	*	.	S	Bend	trans	-102.6	-4	178.5	-61.1	-175	174.8	0	0	112.6	D247	E226-D247 HydrophobicContact CB-CB 4.16Å; E226-D247 PolarHBondContact N-OD2 2.82Å
227	S	98.4	Very high	97.6	Very high	35 Å²	35	44.6 Å²	44.6	25%	0.245	25%	0.25	C	S	.	.	S	Bend	trans	-150.7	-172.6	179.5	-158.2	0	0	0	0	111.7	F206 S245	F206-S227 VanDerWaalsContact CD1-CA 3.48Å; F206-S227 WeakPolarHBondContact CD1-O 3.4Å; S227-S245 VanDerWaalsContact C-OG 3.3Å; S227-S245 PolarHBondContact O-OG 2.8Å; S227-S245 VanDerWaalsContact O-OG 3.1Å
228	D	98.6	Very high	97.6	Very high	45 Å²	45	42.5 Å²	42.5	24%	0.241	24%	0.24	C	C	.	.			trans	-57.1	136.8	-172.4	-68.1	-6.5	0	0	0	111.9	C204 F206 N230 S245 D246	C204-D228 VanDerWaalsContact CA-OD1 3.32Å; C204-D228 WeakPolarHBondContact CA-OD1 3.3Å; C204-D228 HydrophobicContact CB-CB 4.48Å; C204-D228 WeakPolarHBondContact CB-OD1 3.3Å; C204-D228 PolarHBondContact SG-OD2 2.51Å; F206-D228 VanDerWaalsContact CE1-OD1 3.29Å; F206-D228 WeakPolarHBondContact CE1-OD1 3.32Å; D228-N230 PolarHBondContact O-N 2.95Å; D228-S245 CarbonylContact O-C 3.48Å; D228-S245 WeakPolarHBondContact O-CA 3.42Å; D228-S245 WeakPolarHBondContact O-CB 3.49Å; D228-S245 PolarHBondContact O-OG 3.26Å; D228-D246 PolarHBondContact O-N 2.92Å
229	V	98.7	Very high	97.6	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	92.1	176.1	-176.1	0	0	0	0	109.4	G202 A203 H225 T243	G202-V229 CarbonylContact C-O 3.59Å; A203-V229 PolarHBondContact O-N 3.11Å; A203-V229 VanDerWaalsContact O-N 3.08Å; H225-V229 HydrophobicContact CB-CG2 4.2Å; V229-T243 HydrophobicContact CG1-CG2 3.99Å
230	N	98.3	Very high	97.5	Very high	18 Å²	18	38.4 Å²	38.4	10%	0.096	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-33.3	-174.7	-71.4	-43.2	0	0	0	114.1	S189 D228 G244 D246 V273	S189-N230 VanDerWaalsContact CB-O 3.3Å; S189-N230 WeakPolarHBondContact CB-O 3.46Å; S189-N230 PolarHBondContact OG-O 2.84Å; D228-N230 PolarHBondContact O-N 2.95Å; N230-G244 PolarHBondContact N-O 3.26Å; N230-D246 PolarHBondContact ND2-OD1 3.46Å; N230-D246 PolarHBondContact ND2-OD2 2.81Å; N230-V273 WeakPolarHBondContact CB-O 3.28Å; N230-V273 PolarHBondContact ND2-O 3.04Å
231	A	97.6	Very high	97.5	Very high	6 Å²	6	36.4 Å²	36.4	5%	0.05	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.3	-173.4	0	0	0	0	0	111.4	S189 T243 G244 L276	S189-A231 WeakPolarHBondContact OG-CA 3.36Å; A231-T243 CarbonylContact O-C 3.53Å; A231-T243 WeakPolarHBondContact O-CA 3.45Å; A231-G244 PolarHBondContact N-O 3.24Å; A231-G244 VanDerWaalsContact N-O 3.11Å; A231-G244 PolarHBondContact O-N 3.21Å; A231-L276 HydrophobicContact CB-CB 4.3Å; A231-L276 HydrophobicContact CB-CD1 3.84Å; A231-L276 HydrophobicContact CB-CG 3.84Å
232	I	98	Very high	97.5	Very high	16 Å²	16	34.3 Å²	34.3	8%	0.082	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	147.3	177.9	-154.4	158.4	0	0	0	111.6	S189 A191 I200 A208 V241 I242 T243	S189-I232 WeakPolarHBondContact OG-CG2 3.41Å; S189-I232 PolarHBondContact OG-N 2.75Å; A191-I232 HydrophobicContact CB-CG2 4.2Å; I200-I232 HydrophobicContact CB-CD1 4.13Å; I200-I232 HydrophobicContact CG1-CD1 3.31Å; I200-I232 HydrophobicContact CG1-CG1 4.15Å; I200-I232 HydrophobicContact CG2-CD1 3.79Å; I200-I232 HydrophobicContact CG2-CG1 3.75Å; I200-I232 HydrophobicContact CG2-CG2 4.1Å; A208-I232 HydrophobicContact CB-CD1 3.6Å; I232-V241 HydrophobicContact CD1-CG1 3.95Å; I232-V241 HydrophobicContact CG1-CG1 3.73Å; I232-I242 CarbonylContact C-O 3.48Å; I232-I242 VanDerWaalsContact CA-O 3.32Å; I232-I242 WeakPolarHBondContact CA-O 3.49Å; I232-T243 HydrophobicContact CD1-CG2 3.77Å; I232-T243 HydrophobicContact CG1-CG2 3.86Å
233	G	96.8	Very high	97.5	Very high	9 Å²	9	34.2 Å²	34.2	9%	0.093	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	149.7	177.2	0	0	0	0	0	112.2	V241 I242	G233-V241 WeakPolarHBondContact O-CA 3.19Å; G233-I242 PolarHBondContact N-O 3.23Å; G233-I242 PolarHBondContact O-N 3.41Å
234	F	97.9	Very high	97.6	Very high	18 Å²	18	31.1 Å²	31.1	8%	0.079	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	142	168.4	-86.3	-83.6	0	0	0	110.6	A191 V192 A193 I200 L210 V241 L255	A191-F234 HydrophobicContact CB-CD2 4.07Å; A191-F234 WeakPolarHBondContact O-CE2 3.13Å; V192-F234 VanDerWaalsContact C-CD2 3.5Å; V192-F234 WeakPolarHBondContact O-CD2 3.31Å; A193-F234 HydrophobicContact CB-CD1 4.31Å; A193-F234 HydrophobicContact CB-CD2 4.23Å; A193-F234 HydrophobicContact CB-CE1 3.94Å; A193-F234 HydrophobicContact CB-CE2 3.85Å; A193-F234 HydrophobicContact CB-CG 4.44Å; A193-F234 HydrophobicContact CB-CZ 3.7Å; A193-F234 VanDerWaalsContact N-CE2 3.31Å; I200-F234 HydrophobicContact CB-CE2 3.95Å; I200-F234 HydrophobicContact CB-CZ 4.04Å; I200-F234 HydrophobicContact CG2-CD2 3.99Å; I200-F234 HydrophobicContact CG2-CE2 3.58Å; I200-F234 HydrophobicContact CG2-CZ 4.1Å; L210-F234 HydrophobicContact CD1-CE1 4.38Å; L210-F234 HydrophobicContact CD1-CZ 3.93Å; F234-V241 HydrophobicContact CD1-CG2 4.08Å; F234-V241 HydrophobicContact CE1-CG2 3.92Å; F234-V241 HydrophobicContact CZ-CG2 4.44Å; F234-L255 HydrophobicContact CE1-CD1 4.34Å
235	F	97.3	Very high	97.7	Very high	43 Å²	43	29.2 Å²	29.2	19%	0.189	16%	0.16	C	C	.	.			trans	-63.1	147	161.1	-172.1	-92.8	0	0	0	109.5	N237 G238 A240 G282 M299	F235-N237 HydrophobicContact CD1-CB 4.07Å; F235-N237 VanDerWaalsContact CD1-CG 3.42Å; F235-N237 VanDerWaalsContact CD1-OD1 3.26Å; F235-N237 WeakPolarHBondContact CD1-OD1 3.32Å; F235-N237 HydrophobicContact CE1-CB 4.23Å; F235-N237 PolarHBondContact O-N 2.91Å; F235-G238 PolarHBondContact O-N 3.49Å; F235-A240 HydrophobicContact CB-CB 3.76Å; F235-A240 WeakPolarHBondContact CB-O 3.35Å; F235-A240 HydrophobicContact CG-CB 4.32Å; F235-A240 PolarHBondContact N-O 3Å; F235-G282 VanDerWaalsContact CE2-CA 3.46Å; F235-G282 WeakPolarHBondContact CE2-O 3.23Å; F235-M299 HydrophobicContact CD2-CE 3.41Å; F235-M299 VanDerWaalsContact CD2-CE 3.41Å; F235-M299 HydrophobicContact CE2-CE 3.61Å
236	P	95.2	Very high	97.8	Very high	52 Å²	52	31.3 Å²	31.3	34%	0.338	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-27.7	-172.1	-31.1	36.9	0	0	0	116.3	L280	P236-L280 WeakPolarHBondContact CG-O 3.44Å
237	N	95.4	Very high	97.8	Very high	93 Å²	93	25 Å²	25	50%	0.497	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-6	177.4	76.3	8	0	0	0	114.7	F235 N239	F235-N237 HydrophobicContact CD1-CB 4.07Å; F235-N237 VanDerWaalsContact CD1-CG 3.42Å; F235-N237 VanDerWaalsContact CD1-OD1 3.26Å; F235-N237 WeakPolarHBondContact CD1-OD1 3.32Å; F235-N237 HydrophobicContact CE1-CB 4.23Å; F235-N237 PolarHBondContact O-N 2.91Å; N237-N239 VanDerWaalsContact C-N 3.3Å; N237-N239 PolarHBondContact O-N 2.95Å; N237-N239 WeakPolarHBondContact OD1-CB 3.49Å; N237-N239 PolarHBondContact OD1-N 3.48Å
238	G	96.6	Very high	97.7	Very high	14 Å²	14	24 Å²	24	14%	0.144	14%	0.137	C	C	.	.	S	Bend	trans	78.7	-4.4	-179.7	0	0	0	0	0	116.6	F235 L255	F235-G238 PolarHBondContact O-N 3.49Å; G238-L255 WeakPolarHBondContact O-CD1 3.47Å
239	N	97.5	Very high	97.7	Very high	70 Å²	70	22.4 Å²	22.4	37%	0.374	13%	0.129	S	C	.	.	S	Bend	trans	-95.1	-3.2	-175.7	-64.8	-43.8	0	0	0	114.4	N237 L255	N237-N239 VanDerWaalsContact C-N 3.3Å; N237-N239 PolarHBondContact O-N 2.95Å; N237-N239 WeakPolarHBondContact OD1-CB 3.49Å; N237-N239 PolarHBondContact OD1-N 3.48Å; N239-L255 WeakPolarHBondContact O-CG 3.38Å; N239-L255 PolarHBondContact O-N 3.38Å
240	A	97.8	Very high	97.7	Very high	8 Å²	8	22.4 Å²	22.4	7%	0.066	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	158	179.4	0	0	0	0	0	110.7	F235 L252 F253	F235-A240 HydrophobicContact CB-CB 3.76Å; F235-A240 WeakPolarHBondContact CB-O 3.35Å; F235-A240 HydrophobicContact CG-CB 4.32Å; F235-A240 PolarHBondContact N-O 3Å; A240-L252 HydrophobicContact CB-CD1 3.8Å; A240-F253 CarbonylContact C-O 3.51Å; A240-F253 WeakPolarHBondContact CA-O 3.29Å; A240-F253 VanDerWaalsContact CB-O 3.24Å; A240-F253 WeakPolarHBondContact CB-O 3.34Å
241	V	98.1	Very high	97.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.3	-175.3	172.7	0	0	0	0	108.5	I200 I232 G233 F234 T243 L252 F253 L255	I200-V241 HydrophobicContact CB-CG2 4.44Å; I200-V241 HydrophobicContact CD1-CG1 4.34Å; I200-V241 HydrophobicContact CD1-CG2 4.18Å; I200-V241 HydrophobicContact CG1-CG1 3.88Å; I200-V241 HydrophobicContact CG1-CG2 4.25Å; I200-V241 HydrophobicContact CG2-CG1 4.19Å; I200-V241 HydrophobicContact CG2-CG2 4.47Å; I232-V241 HydrophobicContact CD1-CG1 3.95Å; I232-V241 HydrophobicContact CG1-CG1 3.73Å; G233-V241 WeakPolarHBondContact O-CA 3.19Å; F234-V241 HydrophobicContact CD1-CG2 4.08Å; F234-V241 HydrophobicContact CE1-CG2 3.92Å; F234-V241 HydrophobicContact CZ-CG2 4.44Å; V241-T243 HydrophobicContact CG1-CG2 4.33Å; V241-L252 CarbonylContact O-C 3.55Å; V241-L252 WeakPolarHBondContact O-CA 3.32Å; V241-F253 PolarHBondContact N-O 2.92Å; V241-F253 PolarHBondContact O-N 2.89Å; V241-L255 HydrophobicContact CG2-CD2 3.85Å
242	I	98.3	Very high	97.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.8	175.9	-46.5	153.8	0	0	0	108.9	I232 G233 K251 L252 L276 P278 I285 M299	I232-I242 CarbonylContact C-O 3.48Å; I232-I242 VanDerWaalsContact CA-O 3.32Å; I232-I242 WeakPolarHBondContact CA-O 3.49Å; G233-I242 PolarHBondContact N-O 3.23Å; G233-I242 PolarHBondContact O-N 3.41Å; I242-K251 CarbonylContact C-O 3.59Å; I242-K251 VanDerWaalsContact CA-O 3.31Å; I242-K251 WeakPolarHBondContact CA-O 3.38Å; I242-K251 WeakPolarHBondContact CG2-O 3.36Å; I242-L252 HydrophobicContact CG1-CD1 3.77Å; I242-L276 HydrophobicContact CG2-CD1 4.2Å; I242-P278 HydrophobicContact CD1-CB 3.91Å; I242-P278 HydrophobicContact CD1-CG 4.24Å; I242-I285 HydrophobicContact CB-CD1 4.12Å; I242-I285 HydrophobicContact CD1-CD1 4.04Å; I242-I285 HydrophobicContact CG1-CD1 4.45Å; I242-I285 HydrophobicContact CG2-CD1 3.15Å; I242-M299 HydrophobicContact CD1-CE 3.53Å; I242-M299 HydrophobicContact CD1-SD 4.03Å; I242-M299 HydrophobicContact CG1-CE 3.93Å; I242-M299 HydrophobicContact CG1-SD 4.34Å
243	T	98.7	Very high	97.8	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	154.2	178.7	53.3	0	0	0	0	110.8	A208 H225 V229 A231 I232 V241 C250 K251 F253	A208-T243 HydrophobicContact CB-CG2 3.97Å; H225-T243 WeakPolarHBondContact NE2-CB 3.43Å; H225-T243 PolarHBondContact NE2-OG1 3.01Å; V229-T243 HydrophobicContact CG1-CG2 3.99Å; A231-T243 CarbonylContact O-C 3.53Å; A231-T243 WeakPolarHBondContact O-CA 3.45Å; I232-T243 HydrophobicContact CD1-CG2 3.77Å; I232-T243 HydrophobicContact CG1-CG2 3.86Å; V241-T243 HydrophobicContact CG1-CG2 4.33Å; T243-C250 CarbonylContact O-C 3.56Å; T243-C250 WeakPolarHBondContact O-CA 3.41Å; T243-C250 WeakPolarHBondContact O-CB 3.35Å; T243-K251 PolarHBondContact N-O 2.89Å; T243-K251 PolarHBondContact O-N 2.78Å; T243-K251 PolarHBondContact OG1-O 3.37Å; T243-F253 HydrophobicContact CG2-CD2 4.39Å; T243-F253 HydrophobicContact CG2-CE2 4.27Å; T243-F253 WeakPolarHBondContact OG1-CE2 3.37Å
244	G	98.6	Very high	97.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	133.1	177	0	0	0	0	0	108.9	N230 A231	N230-G244 PolarHBondContact N-O 3.26Å; A231-G244 PolarHBondContact N-O 3.24Å; A231-G244 VanDerWaalsContact N-O 3.11Å; A231-G244 PolarHBondContact O-N 3.21Å
245	S	98.7	Very high	97.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	164	-167.5	175.5	0	0	0	0	113.2	H225 S227 D228 D247 A248 T249 V273	H225-S245 VanDerWaalsContact CE1-CB 3.42Å; H225-S245 WeakPolarHBondContact CE1-CB 3.49Å; H225-S245 WeakPolarHBondContact ND1-CB 3.36Å; S227-S245 VanDerWaalsContact C-OG 3.3Å; S227-S245 PolarHBondContact O-OG 2.8Å; S227-S245 VanDerWaalsContact O-OG 3.1Å; D228-S245 CarbonylContact O-C 3.48Å; D228-S245 WeakPolarHBondContact O-CA 3.42Å; D228-S245 WeakPolarHBondContact O-CB 3.49Å; D228-S245 PolarHBondContact O-OG 3.26Å; S245-D247 WeakPolarHBondContact CB-OD1 3.37Å; S245-D247 PolarHBondContact O-N 2.94Å; S245-D247 PolarHBondContact OG-N 3.38Å; S245-A248 PolarHBondContact O-N 3.44Å; S245-T249 PolarHBondContact N-O 2.9Å; S245-T249 VanDerWaalsContact N-O 3.15Å; S245-V273 PolarHBondContact O-N 2.91Å
246	D	98.5	Very high	97.9	Very high	60 Å²	60	29.9 Å²	29.9	32%	0.321	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-10	167.6	-79.6	-28.4	0	0	0	114.1	D228 N230 A248	D228-D246 PolarHBondContact O-N 2.92Å; N230-D246 PolarHBondContact ND2-OD1 3.46Å; N230-D246 PolarHBondContact ND2-OD2 2.81Å; D246-A248 PolarHBondContact O-N 3.09Å; D246-A248 VanDerWaalsContact O-N 3.11Å
247	D	98.1	Very high	98	Very high	36 Å²	36	28.9 Å²	28.9	19%	0.193	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	9.6	168.5	70.2	17	0	0	0	113.8	H225 E226 S245 T249	H225-D247 VanDerWaalsContact CA-OD2 3.31Å; H225-D247 WeakPolarHBondContact CA-OD2 3.46Å; H225-D247 WeakPolarHBondContact CB-OD2 3.4Å; H225-D247 IonicContact CE1-OD1 2.74Å; H225-D247 IonicContact CE1-OD2 3.31Å; H225-D247 IonicContact CG-OD2 2.95Å; H225-D247 IonicContact ND1-OD1 3.86Å; H225-D247 PolarHBondContact ND1-OD1 2.96Å; H225-D247 IonicContact ND1-OD2 3.93Å; H225-D247 PolarHBondContact ND1-OD2 3.36Å; E226-D247 HydrophobicContact CB-CB 4.16Å; E226-D247 PolarHBondContact N-OD2 2.82Å; S245-D247 WeakPolarHBondContact CB-OD1 3.37Å; S245-D247 PolarHBondContact O-N 2.94Å; S245-D247 PolarHBondContact OG-N 3.38Å; D247-T249 PolarHBondContact O-N 3.16Å; D247-T249 WeakPolarHBondContact OD1-CA 3.34Å; D247-T249 VanDerWaalsContact OD1-CB 3.28Å; D247-T249 WeakPolarHBondContact OD1-CB 3.48Å; D247-T249 PolarHBondContact OD1-N 3.26Å; D247-T249 PolarHBondContact OD1-OG1 2.76Å; D247-T249 PolarHBondContact OD2-OG1 3.33Å
248	A	98	Very high	98.1	Very high	12 Å²	12	26.3 Å²	26.3	10%	0.099	14%	0.136	C	C	.	.	S	Bend	trans	64.6	7.8	-177.5	0	0	0	0	0	115.2	S245 D246 C271	S245-A248 PolarHBondContact O-N 3.44Å; D246-A248 PolarHBondContact O-N 3.09Å; D246-A248 VanDerWaalsContact O-N 3.11Å; A248-C271 WeakPolarHBondContact CA-O 3.41Å; A248-C271 VanDerWaalsContact CB-O 3.25Å; A248-C271 WeakPolarHBondContact CB-O 3.11Å
249	T	98.3	Very high	98.2	Very high	13 Å²	13	26.9 Å²	26.9	8%	0.08	14%	0.135	C	C	.	.			trans	-104.1	151.9	178.5	77.5	0	0	0	0	112.5	H225 S245 D247 T263 Q265	H225-T249 PolarHBondContact CE1-OG1 3.3Å; H225-T249 PolarHBondContact ND1-OG1 3.2Å; S245-T249 PolarHBondContact N-O 2.9Å; S245-T249 VanDerWaalsContact N-O 3.15Å; D247-T249 PolarHBondContact O-N 3.16Å; D247-T249 WeakPolarHBondContact OD1-CA 3.34Å; D247-T249 VanDerWaalsContact OD1-CB 3.28Å; D247-T249 WeakPolarHBondContact OD1-CB 3.48Å; D247-T249 PolarHBondContact OD1-N 3.26Å; D247-T249 PolarHBondContact OD1-OG1 2.76Å; D247-T249 PolarHBondContact OD2-OG1 3.33Å; T249-T263 HydrophobicContact CG2-CG2 4.12Å; T249-Q265 HydrophobicContact CG2-CB 4.13Å
250	C	98.6	Very high	98.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	147.9	157.2	-53.2	0	0	0	0	108.8	T243 Y264 L276	T243-C250 CarbonylContact O-C 3.56Å; T243-C250 WeakPolarHBondContact O-CA 3.41Å; T243-C250 WeakPolarHBondContact O-CB 3.35Å; C250-Y264 HydrophobicContact CB-CD2 3.86Å; C250-Y264 HydrophobicContact CB-CG 4.39Å; C250-Y264 PolarHBondContact N-O 3.3Å; C250-Y264 WeakPolarHBondContact O-CD2 3.46Å; C250-Y264 PolarHBondContact O-N 2.88Å; C250-L276 HydrophobicContact CB-CD2 4.42Å; C250-L276 VanDerWaalsContact SG-CD2 3.58Å
251	K	98.6	Very high	98.2	Very high	21 Å²	21	28.7 Å²	28.7	9%	0.091	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.1	178.8	-69.9	174.4	-178.4	-75.2	0	110.9	G224 I242 T243 F253 E260 T263	G224-K251 VanDerWaalsContact O-CE 3.22Å; G224-K251 WeakPolarHBondContact O-CE 3.41Å; I242-K251 CarbonylContact C-O 3.59Å; I242-K251 VanDerWaalsContact CA-O 3.31Å; I242-K251 WeakPolarHBondContact CA-O 3.38Å; I242-K251 WeakPolarHBondContact CG2-O 3.36Å; T243-K251 PolarHBondContact N-O 2.89Å; T243-K251 PolarHBondContact O-N 2.78Å; T243-K251 PolarHBondContact OG1-O 3.37Å; K251-F253 HydrophobicContact CB-CD2 4.23Å; K251-F253 HydrophobicContact CB-CE2 3.5Å; K251-F253 HydrophobicContact CB-CZ 4Å; K251-F253 HydrophobicContact CD-CE2 4.3Å; K251-F253 HydrophobicContact CD-CZ 4.02Å; K251-E260 HydrophobicContact CB-CG 4.27Å; K251-E260 VanDerWaalsContact CD-OE2 3.28Å; K251-E260 WeakPolarHBondContact CD-OE2 3.5Å; K251-E260 HydrophobicContact CG-CG 4.41Å; K251-E260 IonicContact NZ-OE1 3.69Å; K251-E260 IonicContact NZ-OE2 2.76Å; K251-E260 PolarHBondContact NZ-OE2 3.05Å; K251-T263 HydrophobicContact CG-CG2 4.5Å; K251-T263 PolarHBondContact NZ-OG1 3.12Å
252	L	98.6	Very high	98.1	Very high	10 Å²	10	28.8 Å²	28.8	5%	0.052	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126.4	171.9	174.8	67	0	0	0	108.9	L30 A240 V241 I242 E260 L261 I262 Y264 M299	L30-L252 HydrophobicContact CD2-CD2 4.08Å; A240-L252 HydrophobicContact CB-CD1 3.8Å; V241-L252 CarbonylContact O-C 3.55Å; V241-L252 WeakPolarHBondContact O-CA 3.32Å; I242-L252 HydrophobicContact CG1-CD1 3.77Å; L252-E260 CarbonylContact O-C 3.57Å; L252-L261 HydrophobicContact CD2-CD1 4.33Å; L252-L261 HydrophobicContact CG-CB 4.46Å; L252-L261 HydrophobicContact CG-CD1 4.48Å; L252-L261 PolarHBondContact O-N 2.51Å; L252-I262 HydrophobicContact CB-CG2 3.73Å; L252-I262 HydrophobicContact CD2-CG2 3.96Å; L252-I262 HydrophobicContact CG-CG2 4.43Å; L252-I262 PolarHBondContact N-O 2.78Å; L252-Y264 HydrophobicContact CB-CE2 4.07Å; L252-M299 HydrophobicContact CD1-CE 4.02Å; L252-M299 HydrophobicContact CD2-CE 4.19Å
253	F	98.6	Very high	98.1	Very high	3 Å²	3	30 Å²	30	1%	0.013	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	140.2	176.2	-64.4	-91.8	0	0	0	109.8	F222 A240 V241 T243 K251 Q259 E260	F222-F253 HydrophobicContact CB-CD1 3.81Å; F222-F253 HydrophobicContact CB-CE1 3.98Å; F222-F253 HydrophobicContact CB-CG 4.12Å; F222-F253 HydrophobicContact CB-CZ 4.4Å; F222-F253 HydrophobicContact CD1-CB 3.91Å; F222-F253 AromaticContact CD1-CD1 3.78Å; F222-F253 HydrophobicContact CD1-CD1 3.78Å; F222-F253 HydrophobicContact CD1-CG 4.06Å; F222-F253 HydrophobicContact CE1-CB 4.25Å; F222-F253 HydrophobicContact CG-CB 4.26Å; F222-F253 HydrophobicContact CG-CD1 4.07Å; F222-F253 HydrophobicContact CG-CG 4.17Å; A240-F253 CarbonylContact C-O 3.51Å; A240-F253 WeakPolarHBondContact CA-O 3.29Å; A240-F253 VanDerWaalsContact CB-O 3.24Å; A240-F253 WeakPolarHBondContact CB-O 3.34Å; V241-F253 PolarHBondContact N-O 2.92Å; V241-F253 PolarHBondContact O-N 2.89Å; T243-F253 HydrophobicContact CG2-CD2 4.39Å; T243-F253 HydrophobicContact CG2-CE2 4.27Å; T243-F253 WeakPolarHBondContact OG1-CE2 3.37Å; K251-F253 HydrophobicContact CB-CD2 4.23Å; K251-F253 HydrophobicContact CB-CE2 3.5Å; K251-F253 HydrophobicContact CB-CZ 4Å; K251-F253 HydrophobicContact CD-CE2 4.3Å; K251-F253 HydrophobicContact CD-CZ 4.02Å; F253-Q259 WeakPolarHBondContact CA-O 3.36Å; F253-E260 HydrophobicContact CD1-CB 3.94Å; F253-E260 HydrophobicContact CE1-CB 3.65Å; F253-E260 HydrophobicContact CE1-CG 4.27Å; F253-E260 HydrophobicContact CZ-CB 4.26Å; F253-E260 HydrophobicContact CZ-CG 4.42Å
254	D	98.3	Very high	98.1	Very high	16 Å²	16	30 Å²	30	9%	0.086	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.7	170.7	177.8	-71.2	0	0	0	110	R256 A257 D258 Q259 L261	D254-R256 VanDerWaalsContact C-N 3.28Å; D254-R256 PolarHBondContact O-N 2.94Å; D254-R256 WeakPolarHBondContact OD1-CA 3.46Å; D254-R256 VanDerWaalsContact OD1-CB 3.3Å; D254-R256 WeakPolarHBondContact OD1-CB 3.14Å; D254-R256 PolarHBondContact OD1-N 2.91Å; D254-R256 IonicContact OD1-NE 2.85Å; D254-R256 IonicContact OD2-CZ 3.37Å; D254-R256 IonicContact OD2-NE 3.01Å; D254-R256 IonicContact OD2-NH2 3.63Å; D254-R256 PolarHBondContact OD2-NH2 3.42Å; D254-A257 HydrophobicContact CB-CB 4.01Å; D254-A257 PolarHBondContact O-N 3.08Å; D254-A257 PolarHBondContact OD1-N 3.21Å; D254-D258 PolarHBondContact O-N 3.36Å; D254-Q259 PolarHBondContact N-O 2.91Å; D254-L261 HydrophobicContact CB-CD1 3.67Å; D254-L261 HydrophobicContact CB-CD2 4.05Å; D254-L261 HydrophobicContact CB-CG 3.85Å
255	L	98.1	Very high	98	Very high	26 Å²	26	36 Å²	36	14%	0.136	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-30.5	-175.3	-60.1	-175.3	0	0	0	112.3	L210 Q220 F222 F234 G238 N239 V241	L210-L255 HydrophobicContact CD1-CD1 4.46Å; L210-L255 HydrophobicContact CD1-CD2 4.29Å; L210-L255 HydrophobicContact CD2-CD1 4.27Å; L210-L255 HydrophobicContact CD2-CD2 4.11Å; Q220-L255 PolarHBondContact NE2-O 3.28Å; Q220-L255 PolarHBondContact OE1-O 3.12Å; F222-L255 HydrophobicContact CE2-CD2 3.85Å; F222-L255 HydrophobicContact CZ-CD2 3.48Å; F222-L255 VanDerWaalsContact CZ-CD2 3.48Å; F234-L255 HydrophobicContact CE1-CD1 4.34Å; G238-L255 WeakPolarHBondContact O-CD1 3.47Å; N239-L255 WeakPolarHBondContact O-CG 3.38Å; N239-L255 PolarHBondContact O-N 3.38Å; V241-L255 HydrophobicContact CG2-CD2 3.85Å
256	R	97.8	Very high	97.8	Very high	192 Å²	192	38.4 Å²	38.4	73%	0.725	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-33.5	-178	-56.2	166.2	-64.4	158.3	5	111.4	D254 D258	D254-R256 VanDerWaalsContact C-N 3.28Å; D254-R256 PolarHBondContact O-N 2.94Å; D254-R256 WeakPolarHBondContact OD1-CA 3.46Å; D254-R256 VanDerWaalsContact OD1-CB 3.3Å; D254-R256 WeakPolarHBondContact OD1-CB 3.14Å; D254-R256 PolarHBondContact OD1-N 2.91Å; D254-R256 IonicContact OD1-NE 2.85Å; D254-R256 IonicContact OD2-CZ 3.37Å; D254-R256 IonicContact OD2-NE 3.01Å; D254-R256 IonicContact OD2-NH2 3.63Å; D254-R256 PolarHBondContact OD2-NH2 3.42Å; R256-D258 VanDerWaalsContact C-N 3.27Å
257	A	97.4	Very high	97.6	Very high	30 Å²	30	41.3 Å²	41.3	25%	0.248	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-19.8	173.7	0	0	0	0	0	112.5	D254 Q259 L261	D254-A257 HydrophobicContact CB-CB 4.01Å; D254-A257 PolarHBondContact O-N 3.08Å; D254-A257 PolarHBondContact OD1-N 3.21Å; A257-Q259 HydrophobicContact CB-CG 4.07Å; A257-Q259 WeakPolarHBondContact O-CG 3.23Å; A257-Q259 PolarHBondContact O-N 3.03Å; A257-Q259 PolarHBondContact O-NE2 3.2Å; A257-L261 HydrophobicContact CB-CD2 4.38Å
258	D	98.1	Very high	97.2	Very high	39 Å²	39	42.7 Å²	42.7	21%	0.209	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	26.5	-176.4	-166.7	61.6	0	0	0	113.4	R22 Q220 D254 R256	R22-D258 WeakPolarHBondContact CD-O 3.35Å; R22-D258 VanDerWaalsContact CZ-O 3.23Å; R22-D258 IonicContact CZ-OD2 3.83Å; R22-D258 VanDerWaalsContact CZ-OD2 3.24Å; R22-D258 PolarHBondContact NE-O 2.86Å; R22-D258 IonicContact NE-OD2 3.92Å; R22-D258 PolarHBondContact NE-OD2 2.87Å; R22-D258 PolarHBondContact NH2-O 2.89Å; R22-D258 IonicContact NH2-OD1 2.84Å; R22-D258 IonicContact NH2-OD2 3.99Å; R22-D258 PolarHBondContact NH2-OD2 2.86Å; Q220-D258 PolarHBondContact NE2-OD1 2.91Å; D254-D258 PolarHBondContact O-N 3.36Å; R256-D258 VanDerWaalsContact C-N 3.27Å
259	Q	96.8	Very high	97	Very high	26 Å²	26	42.7 Å²	42.7	12%	0.121	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	169.5	-175.4	68.2	-171.4	-53.5	0	0	112.5	R22 F253 D254 A257	R22-Q259 HydrophobicContact CG-CB 4.43Å; R22-Q259 PolarHBondContact O-NE2 2.94Å; R22-Q259 PolarHBondContact O-OE1 2.76Å; F253-Q259 WeakPolarHBondContact CA-O 3.36Å; D254-Q259 PolarHBondContact N-O 2.91Å; A257-Q259 HydrophobicContact CB-CG 4.07Å; A257-Q259 WeakPolarHBondContact O-CG 3.23Å; A257-Q259 PolarHBondContact O-N 3.03Å; A257-Q259 PolarHBondContact O-NE2 3.2Å
260	E	97.8	Very high	96.8	Very high	59 Å²	59	50 Å²	50	28%	0.276	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	132.8	174.1	-170	-166	128.5	0	0	110.3	K251 L252 F253 T263	K251-E260 HydrophobicContact CB-CG 4.27Å; K251-E260 VanDerWaalsContact CD-OE2 3.28Å; K251-E260 WeakPolarHBondContact CD-OE2 3.5Å; K251-E260 HydrophobicContact CG-CG 4.41Å; K251-E260 IonicContact NZ-OE1 3.69Å; K251-E260 IonicContact NZ-OE2 2.76Å; K251-E260 PolarHBondContact NZ-OE2 3.05Å; L252-E260 CarbonylContact O-C 3.57Å; F253-E260 HydrophobicContact CD1-CB 3.94Å; F253-E260 HydrophobicContact CE1-CB 3.65Å; F253-E260 HydrophobicContact CE1-CG 4.27Å; F253-E260 HydrophobicContact CZ-CB 4.26Å; F253-E260 HydrophobicContact CZ-CG 4.42Å; E260-T263 VanDerWaalsContact CD-OG1 3.27Å; E260-T263 PolarHBondContact OE1-N 3.34Å; E260-T263 PolarHBondContact OE1-OG1 3.25Å
261	L	97.6	Very high	96.6	Very high	57 Å²	57	51.4 Å²	51.4	30%	0.298	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-39.2	172.6	-65.6	-170.3	0	0	0	112.8	L252 D254 A257	L252-L261 HydrophobicContact CD2-CD1 4.33Å; L252-L261 HydrophobicContact CG-CB 4.46Å; L252-L261 HydrophobicContact CG-CD1 4.48Å; L252-L261 PolarHBondContact O-N 2.51Å; D254-L261 HydrophobicContact CB-CD1 3.67Å; D254-L261 HydrophobicContact CB-CD2 4.05Å; D254-L261 HydrophobicContact CB-CG 3.85Å; A257-L261 HydrophobicContact CB-CD2 4.38Å
262	I	97.9	Very high	96.5	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	144.7	-174.9	-168	163.9	0	0	0	111.3	L30 Q31 L252 Y264 A302	L30-I262 HydrophobicContact CB-CB 4.41Å; L30-I262 HydrophobicContact CD2-CB 4.13Å; L30-I262 HydrophobicContact CD2-CD1 4.28Å; L30-I262 HydrophobicContact CD2-CG2 3.7Å; Q31-I262 HydrophobicContact CG-CD1 3.88Å; L252-I262 HydrophobicContact CB-CG2 3.73Å; L252-I262 HydrophobicContact CD2-CG2 3.96Å; L252-I262 HydrophobicContact CG-CG2 4.43Å; L252-I262 PolarHBondContact N-O 2.78Å; I262-Y264 HydrophobicContact CG2-CE1 4.28Å; I262-Y264 HydrophobicContact CG2-CE2 3.94Å; I262-Y264 WeakPolarHBondContact CG2-OH 3.44Å; I262-A302 HydrophobicContact CD1-CB 3.59Å; I262-A302 HydrophobicContact CG1-CB 3.85Å
263	T	98.2	Very high	96.5	Very high	27 Å²	27	50.2 Å²	50.2	17%	0.166	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135.2	170.8	-71.9	0	0	0	0	110.3	T249 K251 E260 Q265 A302	T249-T263 HydrophobicContact CG2-CG2 4.12Å; K251-T263 HydrophobicContact CG-CG2 4.5Å; K251-T263 PolarHBondContact NZ-OG1 3.12Å; E260-T263 VanDerWaalsContact CD-OG1 3.27Å; E260-T263 PolarHBondContact OE1-N 3.34Å; E260-T263 PolarHBondContact OE1-OG1 3.25Å; T263-Q265 HydrophobicContact CG2-CB 4.17Å; T263-Q265 HydrophobicContact CG2-CG 4.04Å; T263-A302 WeakPolarHBondContact O-CB 3.3Å
264	Y	98.1	Very high	96.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114	171.6	-49.4	-84.8	0	0	0	109.2	C250 L252 I262 W297 M299 A302	C250-Y264 HydrophobicContact CB-CD2 3.86Å; C250-Y264 HydrophobicContact CB-CG 4.39Å; C250-Y264 PolarHBondContact N-O 3.3Å; C250-Y264 WeakPolarHBondContact O-CD2 3.46Å; C250-Y264 PolarHBondContact O-N 2.88Å; L252-Y264 HydrophobicContact CB-CE2 4.07Å; I262-Y264 HydrophobicContact CG2-CE1 4.28Å; I262-Y264 HydrophobicContact CG2-CE2 3.94Å; I262-Y264 WeakPolarHBondContact CG2-OH 3.44Å; Y264-W297 HydrophobicContact CD1-CB 3.92Å; Y264-W297 HydrophobicContact CD1-CG 4.35Å; Y264-M299 HydrophobicContact CE2-SD 4.11Å; Y264-M299 VanDerWaalsContact OH-CA 3.26Å; Y264-M299 WeakPolarHBondContact OH-CA 3.49Å; Y264-M299 PolarHBondContact OH-O 2.83Å; Y264-M299 PolarHBondContact OH-SD 3.26Å; Y264-A302 HydrophobicContact CD1-CB 3.86Å; Y264-A302 HydrophobicContact CE1-CB 4.16Å
265	Q	96.3	Very high	96.5	Very high	128 Å²	128	50.5 Å²	50.5	60%	0.598	28%	0.279	S	S	*	.			trans	-152.3	153.3	-177.8	63	-176.9	4.6	0	0	110.6	T249 T263	T249-Q265 HydrophobicContact CG2-CB 4.13Å; T263-Q265 HydrophobicContact CG2-CB 4.17Å; T263-Q265 HydrophobicContact CG2-CG 4.04Å
266	D	95.3	Very high	96.5	Very high	50 Å²	50	50.2 Å²	50.2	27%	0.267	28%	0.278	S	S	.	.			trans	-141.1	131.5	172.8	178.1	-39.3	0	0	0	107.1	G268 I269 W297 R304	D266-G268 PolarHBondContact O-N 2.9Å; D266-G268 PolarHBondContact OD1-N 3.41Å; D266-I269 HydrophobicContact CB-CD1 3.91Å; D266-I269 HydrophobicContact CB-CG1 4.09Å; D266-I269 PolarHBondContact O-N 2.89Å; D266-W297 HydrophobicContact CB-CH2 3.74Å; D266-W297 HydrophobicContact CB-CZ3 4.46Å; D266-R304 IonicContact OD2-CZ 2.8Å; D266-R304 IonicContact OD2-NE 3Å; D266-R304 IonicContact OD2-NH2 3.57Å; D266-R304 PolarHBondContact OD2-NH2 2.95Å
267	S	92.4	Very high	96.4	Very high	121 Å²	121	41.4 Å²	41.4	85%	0.846	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-18.9	-178	52.4	0	0	0	0	114.4	I269	S267-I269 VanDerWaalsContact C-N 3.34Å
268	G	91.7	Very high	96.4	Very high	64 Å²	64	41.3 Å²	41.3	66%	0.66	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-9.3	174.2	0	0	0	0	0	114.1	D266	D266-G268 PolarHBondContact O-N 2.9Å; D266-G268 PolarHBondContact OD1-N 3.41Å
269	I	93.2	Very high	96.3	Very high	12 Å²	12	40.3 Å²	40.3	6%	0.062	24%	0.239	C	C	.	.			trans	-106.2	108.7	-179.2	-55.5	174.6	0	0	0	108.5	D266 S267 Y289 N295 W297	D266-I269 HydrophobicContact CB-CD1 3.91Å; D266-I269 HydrophobicContact CB-CG1 4.09Å; D266-I269 PolarHBondContact O-N 2.89Å; S267-I269 VanDerWaalsContact C-N 3.34Å; I269-Y289 HydrophobicContact CG2-CD1 3.65Å; I269-Y289 HydrophobicContact CG2-CE1 3.52Å; I269-N295 WeakPolarHBondContact CD1-ND2 3.43Å; I269-W297 HydrophobicContact CD1-CH2 4.12Å; I269-W297 HydrophobicContact CD1-CZ2 3.77Å
270	M	92.9	Very high	96.3	Very high	168 Å²	168	44 Å²	44	83%	0.828	26%	0.259	S	S	*	.			trans	-116.4	17.4	-178.7	-60.7	-62.9	-63.9	0	0	112.2
271	C	95.7	Very high	96.3	Very high	28 Å²	28	45.4 Å²	45.4	19%	0.189	28%	0.276	C	S	.	.	S	Bend	trans	-119.6	151.6	-173.1	69.7	0	0	0	0	110.8	A248 D290 D291	A248-C271 WeakPolarHBondContact CA-O 3.41Å; A248-C271 VanDerWaalsContact CB-O 3.25Å; A248-C271 WeakPolarHBondContact CB-O 3.11Å; C271-D290 HydrophobicContact CB-CB 3.97Å; C271-D291 VanDerWaalsContact SG-CB 3.59Å
272	G	96.9	Very high	96.2	Very high	6 Å²	6	42.9 Å²	42.9	6%	0.062	26%	0.263	C	S	.	.			trans	-66	148.7	-174.5	0	0	0	0	0	113.4	D290	G272-D290 PolarHBondContact O-N 3.23Å; G272-D290 VanDerWaalsContact O-N 3.14Å
273	V	98.4	Very high	96.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	130.6	171.8	-176.8	0	0	0	0	108.6	N230 S245 L276 A287 Y289	N230-V273 WeakPolarHBondContact CB-O 3.28Å; N230-V273 PolarHBondContact ND2-O 3.04Å; S245-V273 PolarHBondContact O-N 2.91Å; V273-L276 HydrophobicContact CG1-CD2 3.97Å; V273-L276 HydrophobicContact CG1-CG 4.15Å; V273-A287 HydrophobicContact CG1-CB 4.3Å; V273-Y289 HydrophobicContact CG2-CD1 4.07Å; V273-Y289 HydrophobicContact CG2-CE1 3.5Å; V273-Y289 VanDerWaalsContact CG2-CE1 3.5Å
274	T	98.4	Very high	96.2	Very high	13 Å²	13	46 Å²	46	8%	0.08	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-31.1	-174.3	69	0	0	0	0	112.9	G288 D290 R314 V315	T274-G288 PolarHBondContact N-O 2.62Å; T274-G288 PolarHBondContact OG1-O 2.89Å; T274-D290 WeakPolarHBondContact CG2-OD1 3.25Å; T274-R314 HydrophobicContact CG2-CG 4.01Å; T274-R314 VanDerWaalsContact CG2-CZ 3.47Å; T274-R314 VanDerWaalsContact CG2-NE 3.3Å; T274-V315 VanDerWaalsContact CB-O 3.28Å; T274-V315 WeakPolarHBondContact CB-O 3.49Å; T274-V315 WeakPolarHBondContact CG2-O 3.47Å; T274-V315 PolarHBondContact OG1-O 2.83Å
275	S	97.7	Very high	96.1	Very high	12 Å²	12	46 Å²	46	8%	0.084	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	151	-168.7	58.6	0	0	0	0	110.8	A287 G288 C317	S275-A287 WeakPolarHBondContact O-CA 3.26Å; S275-G288 PolarHBondContact O-N 3.26Å; S275-C317 WeakPolarHBondContact OG-CA 3.16Å
276	L	97	Very high	96.2	Very high	20 Å²	20	40.3 Å²	40.3	11%	0.105	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	142.4	-175.2	-68.2	166.1	0	0	0	110.8	A231 I242 C250 V273 I285 M286 A287 I318	A231-L276 HydrophobicContact CB-CB 4.3Å; A231-L276 HydrophobicContact CB-CD1 3.84Å; A231-L276 HydrophobicContact CB-CG 3.84Å; I242-L276 HydrophobicContact CG2-CD1 4.2Å; C250-L276 HydrophobicContact CB-CD2 4.42Å; C250-L276 VanDerWaalsContact SG-CD2 3.58Å; V273-L276 HydrophobicContact CG1-CD2 3.97Å; V273-L276 HydrophobicContact CG1-CG 4.15Å; L276-I285 HydrophobicContact CB-CD1 4.47Å; L276-I285 HydrophobicContact CD2-CD1 3.54Å; L276-I285 HydrophobicContact CD2-CG1 4.1Å; L276-I285 HydrophobicContact CG-CD1 4.43Å; L276-M286 WeakPolarHBondContact CA-O 3.47Å; L276-A287 HydrophobicContact CD2-CB 3.46Å; L276-A287 VanDerWaalsContact CD2-CB 3.46Å; L276-I318 VanDerWaalsContact C-CG2 3.45Å
277	A	96.7	Very high	96.4	Very high	7 Å²	7	38 Å²	38	6%	0.058	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	120.1	166.9	0	0	0	0	0	111.1	M286 I318 V320	A277-M286 PolarHBondContact N-O 3.22Å; A277-M286 PolarHBondContact O-N 3.2Å; A277-I318 HydrophobicContact CB-CG1 4.24Å; A277-I318 HydrophobicContact CB-CG2 3.93Å; A277-V320 HydrophobicContact CB-CB 4.49Å; A277-V320 HydrophobicContact CB-CG2 3.78Å
278	P	96.9	Very high	96.7	Very high	28 Å²	28	32.2 Å²	32.2	18%	0.182	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	146.4	168.7	29.6	-31.7	0	0	0	110.4	I242	I242-P278 HydrophobicContact CD1-CB 3.91Å; I242-P278 HydrophobicContact CD1-CG 4.24Å
279	S	97.4	Very high	97	Very high	18 Å²	18	29.1 Å²	29.1	13%	0.126	16%	0.163	C	C	.	.			trans	-64.3	159.8	164.6	60.4	0	0	0	0	111.2	S281 G282 R283 L284	S279-S281 PolarHBondContact O-N 3.46Å; S279-G282 WeakPolarHBondContact O-CA 3.41Å; S279-G282 PolarHBondContact O-N 2.83Å; S279-R283 PolarHBondContact OG-N 2.87Å; S279-L284 PolarHBondContact N-O 3.47Å; S279-L284 PolarHBondContact OG-N 3.1Å; S279-L284 PolarHBondContact OG-O 3.02Å
280	L	96.3	Very high	97.2	Very high	103 Å²	103	30.8 Å²	30.8	54%	0.539	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-37.6	-179.3	-177.6	64	0	0	0	113.5	P236 G282	P236-L280 WeakPolarHBondContact CG-O 3.44Å; L280-G282 VanDerWaalsContact C-N 3.29Å; L280-G282 PolarHBondContact O-N 2.87Å
281	S	96.8	Very high	97.4	Very high	90 Å²	90	25.6 Å²	25.6	63%	0.629	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-16.2	176.6	67	0	0	0	0	113.8	S279 R283	S279-S281 PolarHBondContact O-N 3.46Å; S281-R283 PolarHBondContact O-N 2.78Å; S281-R283 WeakPolarHBondContact OG-CB 3.39Å; S281-R283 PolarHBondContact OG-N 2.98Å; S281-R283 VanDerWaalsContact OG-N 3.13Å
282	G	95.9	Very high	97.5	Very high	3 Å²	3	28.4 Å²	28.4	3%	0.031	16%	0.157	C	C	.	.	S	Bend	trans	74.1	2	-169	0	0	0	0	0	114.4	F235 S279 L280 M299	F235-G282 VanDerWaalsContact CE2-CA 3.46Å; F235-G282 WeakPolarHBondContact CE2-O 3.23Å; S279-G282 WeakPolarHBondContact O-CA 3.41Å; S279-G282 PolarHBondContact O-N 2.83Å; L280-G282 VanDerWaalsContact C-N 3.29Å; L280-G282 PolarHBondContact O-N 2.87Å; G282-M299 WeakPolarHBondContact O-CB 3.46Å; G282-M299 WeakPolarHBondContact O-CG 3.22Å
283	R	97.3	Very high	97.5	Very high	64 Å²	64	30.1 Å²	30.1	24%	0.242	17%	0.165	C	C	.	.	S	Bend	trans	-71.7	-34	-179.8	-178	57.2	-174.6	-85.3	0.2	113	T38 V40 S279 S281 D298 M299	T38-R283 PolarHBondContact O-NH2 3.29Å; V40-R283 HydrophobicContact CG2-CG 3.72Å; S279-R283 PolarHBondContact OG-N 2.87Å; S281-R283 PolarHBondContact O-N 2.78Å; S281-R283 WeakPolarHBondContact OG-CB 3.39Å; S281-R283 PolarHBondContact OG-N 2.98Å; S281-R283 VanDerWaalsContact OG-N 3.13Å; R283-D298 IonicContact CZ-OD1 3.47Å; R283-D298 IonicContact CZ-OD2 3.89Å; R283-D298 IonicContact NE-OD1 3.33Å; R283-D298 PolarHBondContact NE-OD1 3.43Å; R283-D298 IonicContact NE-OD2 2.74Å; R283-D298 PolarHBondContact NE-OD2 3.04Å; R283-D298 IonicContact NH2-OD1 2.74Å; R283-D298 IonicContact NH2-OD2 3.47Å; R283-D298 PolarHBondContact NH2-OD2 3.38Å; R283-M299 WeakPolarHBondContact O-CB 3.4Å; R283-M299 PolarHBondContact O-N 2.79Å
284	L	98	Very high	97.5	Very high	31 Å²	31	30.2 Å²	30.2	16%	0.162	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	144.5	177.4	-54.8	176.7	0	0	0	110.4	V40 I43 S279 I296 W297 V305	V40-L284 HydrophobicContact CB-CD2 4.4Å; V40-L284 HydrophobicContact CG1-CD2 4.37Å; V40-L284 HydrophobicContact CG2-CD2 4.15Å; I43-L284 HydrophobicContact CD1-CD1 4.47Å; I43-L284 HydrophobicContact CG1-CD1 4.26Å; S279-L284 PolarHBondContact N-O 3.47Å; S279-L284 PolarHBondContact OG-N 3.1Å; S279-L284 PolarHBondContact OG-O 3.02Å; L284-I296 HydrophobicContact CB-CG2 4.11Å; L284-I296 HydrophobicContact CD1-CG2 4.17Å; L284-I296 HydrophobicContact CD2-CG2 4.19Å; L284-I296 HydrophobicContact CG-CG2 4.39Å; L284-W297 WeakPolarHBondContact CA-O 3.19Å; L284-V305 HydrophobicContact CD2-CG2 3.9Å
285	I	97.8	Very high	97.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.2	161	-178.7	173.9	0	0	0	109.9	I242 L276 I296 W297 M299	I242-I285 HydrophobicContact CB-CD1 4.12Å; I242-I285 HydrophobicContact CD1-CD1 4.04Å; I242-I285 HydrophobicContact CG1-CD1 4.45Å; I242-I285 HydrophobicContact CG2-CD1 3.15Å; L276-I285 HydrophobicContact CB-CD1 4.47Å; L276-I285 HydrophobicContact CD2-CD1 3.54Å; L276-I285 HydrophobicContact CD2-CG1 4.1Å; L276-I285 HydrophobicContact CG-CD1 4.43Å; I285-I296 WeakPolarHBondContact O-CA 3.48Å; I285-W297 HydrophobicContact CG2-CB 3.64Å; I285-W297 HydrophobicContact CG2-CG 4.25Å; I285-W297 PolarHBondContact N-O 2.87Å; I285-W297 PolarHBondContact O-N 3.17Å; I285-M299 HydrophobicContact CB-CG 4.03Å; I285-M299 HydrophobicContact CB-SD 3.89Å; I285-M299 HydrophobicContact CG2-CG 3.89Å; I285-M299 HydrophobicContact CG2-SD 3.81Å
286	M	98.3	Very high	97.6	Very high	9 Å²	9	29.1 Å²	29.1	4%	0.044	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120.4	172.1	-67.9	167.7	-81.3	0	0	108.6	M45 L276 A277 V294 I296 I318 V320 C327	M45-M286 HydrophobicContact SD-SD 4.28Å; L276-M286 WeakPolarHBondContact CA-O 3.47Å; A277-M286 PolarHBondContact N-O 3.22Å; A277-M286 PolarHBondContact O-N 3.2Å; M286-V294 HydrophobicContact CB-CG1 3.92Å; M286-I296 HydrophobicContact CG-CG1 4.08Å; M286-I296 HydrophobicContact CG-CG2 4.17Å; M286-I318 HydrophobicContact CB-CD1 3.4Å; M286-I318 HydrophobicContact CG-CD1 4.49Å; M286-V320 HydrophobicContact CE-CG2 3.13Å; M286-C327 HydrophobicContact CE-CB 4.21Å; M286-C327 HydrophobicContact SD-CB 3.81Å
287	A	98.4	Very high	97.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.1	-178.4	0	0	0	0	0	109	V273 S275 L276 Y289 V294 N295	V273-A287 HydrophobicContact CG1-CB 4.3Å; S275-A287 WeakPolarHBondContact O-CA 3.26Å; L276-A287 HydrophobicContact CD2-CB 3.46Å; L276-A287 VanDerWaalsContact CD2-CB 3.46Å; A287-Y289 HydrophobicContact CB-CD2 4.37Å; A287-Y289 HydrophobicContact CB-CE2 3.51Å; A287-Y289 WeakPolarHBondContact O-CD2 3.39Å; A287-Y289 WeakPolarHBondContact O-CE2 3.47Å; A287-V294 CarbonylContact O-C 3.54Å; A287-V294 VanDerWaalsContact O-CA 3.23Å; A287-V294 WeakPolarHBondContact O-CA 3.42Å; A287-V294 VanDerWaalsContact O-CG1 3.3Å; A287-V294 WeakPolarHBondContact O-CG1 3.37Å; A287-N295 PolarHBondContact N-O 3.12Å; A287-N295 PolarHBondContact O-N 3.19Å
288	G	98.4	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	140.4	173.6	0	0	0	0	0	110.9	T274 S275	T274-G288 PolarHBondContact N-O 2.62Å; T274-G288 PolarHBondContact OG1-O 2.89Å; S275-G288 PolarHBondContact O-N 3.26Å
289	Y	98.4	Very high	97.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	162.3	-173.6	-71.7	-95.9	0	0	0	112.3	I269 V273 A287 D291 F292 N293 N295 W297 V315	I269-Y289 HydrophobicContact CG2-CD1 3.65Å; I269-Y289 HydrophobicContact CG2-CE1 3.52Å; V273-Y289 HydrophobicContact CG2-CD1 4.07Å; V273-Y289 HydrophobicContact CG2-CE1 3.5Å; V273-Y289 VanDerWaalsContact CG2-CE1 3.5Å; A287-Y289 HydrophobicContact CB-CD2 4.37Å; A287-Y289 HydrophobicContact CB-CE2 3.51Å; A287-Y289 WeakPolarHBondContact O-CD2 3.39Å; A287-Y289 WeakPolarHBondContact O-CE2 3.47Å; Y289-D291 WeakPolarHBondContact CB-OD1 3.29Å; Y289-D291 PolarHBondContact O-N 3.31Å; Y289-F292 PolarHBondContact O-N 2.97Å; Y289-N293 PolarHBondContact N-O 3.03Å; Y289-N295 HydrophobicContact CD2-CB 4.34Å; Y289-N295 WeakPolarHBondContact CD2-ND2 3.47Å; Y289-N295 HydrophobicContact CE2-CB 3.73Å; Y289-N295 WeakPolarHBondContact CE2-ND2 3.39Å; Y289-W297 PolarHBondContact OH-NE1 2.62Å; Y289-V315 PolarHBondContact O-N 2.79Å
290	D	97.4	Very high	97.6	Very high	47 Å²	47	28.1 Å²	28.1	25%	0.251	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-17.9	174.7	-85.1	-10.4	0	0	0	114	C271 G272 T274 F292 R314	C271-D290 HydrophobicContact CB-CB 3.97Å; G272-D290 PolarHBondContact O-N 3.23Å; G272-D290 VanDerWaalsContact O-N 3.14Å; T274-D290 WeakPolarHBondContact CG2-OD1 3.25Å; D290-F292 WeakPolarHBondContact O-CD1 3.07Å; D290-F292 VanDerWaalsContact O-CE1 3.29Å; D290-F292 WeakPolarHBondContact O-CE1 3.45Å; D290-F292 PolarHBondContact O-N 3.03Å; D290-R314 WeakPolarHBondContact OD1-CD 3.43Å; D290-R314 VanDerWaalsContact OD1-CG 3.22Å; D290-R314 WeakPolarHBondContact OD1-CG 3.47Å; D290-R314 IonicContact OD1-CZ 3.53Å; D290-R314 IonicContact OD1-NE 3.82Å; D290-R314 PolarHBondContact OD1-NE 3.44Å; D290-R314 IonicContact OD1-NH1 3.68Å; D290-R314 PolarHBondContact OD1-NH1 2.98Å; D290-R314 IonicContact OD1-NH2 3.79Å; D290-R314 IonicContact OD2-NH1 2.62Å; D290-R314 PolarHBondContact OD2-NH1 3.35Å
291	D	96.8	Very high	97.6	Very high	58 Å²	58	25 Å²	25	31%	0.31	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	11.5	174.1	77.4	-18.7	0	0	0	114.3	C271 Y289 N293	C271-D291 VanDerWaalsContact SG-CB 3.59Å; Y289-D291 WeakPolarHBondContact CB-OD1 3.29Å; Y289-D291 PolarHBondContact O-N 3.31Å; D291-N293 PolarHBondContact O-N 3.09Å; D291-N293 PolarHBondContact O-ND2 2.94Å; D291-N293 WeakPolarHBondContact OD1-CB 3.13Å; D291-N293 PolarHBondContact OD1-N 2.82Å; D291-N293 PolarHBondContact OD2-ND2 2.82Å
292	F	98	Very high	97.5	Very high	87 Å²	87	21.6 Å²	21.6	38%	0.382	11%	0.108	S	C	.	.	S	Bend	trans	77.5	-0.4	176.3	-38.3	-22.9	0	0	0	114.2	Y289 D290 N313 V315	Y289-F292 PolarHBondContact O-N 2.97Å; D290-F292 WeakPolarHBondContact O-CD1 3.07Å; D290-F292 VanDerWaalsContact O-CE1 3.29Å; D290-F292 WeakPolarHBondContact O-CE1 3.45Å; D290-F292 PolarHBondContact O-N 3.03Å; F292-N313 WeakPolarHBondContact CB-O 3.24Å; F292-N313 VanDerWaalsContact CD1-CA 3.49Å; F292-N313 VanDerWaalsContact CG-C 3.45Å; F292-V315 WeakPolarHBondContact O-CG2 3.36Å
293	N	97.9	Very high	97.6	Very high	43 Å²	43	26.4 Å²	26.4	23%	0.23	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	160.5	-179.1	-60.5	-57.1	0	0	0	111.9	Y289 D291 V307 A309	Y289-N293 PolarHBondContact N-O 3.03Å; D291-N293 PolarHBondContact O-N 3.09Å; D291-N293 PolarHBondContact O-ND2 2.94Å; D291-N293 WeakPolarHBondContact OD1-CB 3.13Å; D291-N293 PolarHBondContact OD1-N 2.82Å; D291-N293 PolarHBondContact OD2-ND2 2.82Å; N293-V307 HydrophobicContact CB-CG1 4.09Å; N293-A309 WeakPolarHBondContact OD1-CB 3.45Å
294	V	98.4	Very high	97.6	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.7	161.4	-178.1	0	0	0	0	108.4	M286 A287 V307 L308 V315 I318 T329	M286-V294 HydrophobicContact CB-CG1 3.92Å; A287-V294 CarbonylContact O-C 3.54Å; A287-V294 VanDerWaalsContact O-CA 3.23Å; A287-V294 WeakPolarHBondContact O-CA 3.42Å; A287-V294 VanDerWaalsContact O-CG1 3.3Å; A287-V294 WeakPolarHBondContact O-CG1 3.37Å; V294-V307 CarbonylContact O-C 3.56Å; V294-V307 WeakPolarHBondContact O-CA 3.28Å; V294-L308 HydrophobicContact CB-CB 3.98Å; V294-L308 HydrophobicContact CB-CD1 4.2Å; V294-L308 HydrophobicContact CB-CG 4.21Å; V294-L308 HydrophobicContact CG1-CD1 4.2Å; V294-L308 PolarHBondContact N-O 3.29Å; V294-L308 VanDerWaalsContact N-O 3.15Å; V294-L308 PolarHBondContact O-N 3.01Å; V294-V315 HydrophobicContact CG2-CB 4.35Å; V294-V315 HydrophobicContact CG2-CG1 3.9Å; V294-V315 HydrophobicContact CG2-CG2 3.95Å; V294-I318 HydrophobicContact CG1-CD1 3.64Å; V294-I318 HydrophobicContact CG2-CD1 4.39Å; V294-T329 HydrophobicContact CG2-CG2 3.77Å
295	N	98.3	Very high	97.6	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	137.6	172	-63.2	-72.3	0	0	0	109.7	I269 A287 Y289 W297 R304	I269-N295 WeakPolarHBondContact CD1-ND2 3.43Å; A287-N295 PolarHBondContact N-O 3.12Å; A287-N295 PolarHBondContact O-N 3.19Å; Y289-N295 HydrophobicContact CD2-CB 4.34Å; Y289-N295 WeakPolarHBondContact CD2-ND2 3.47Å; Y289-N295 HydrophobicContact CE2-CB 3.73Å; Y289-N295 WeakPolarHBondContact CE2-ND2 3.39Å; N295-W297 HydrophobicContact CB-CZ2 4.22Å; N295-R304 HydrophobicContact CB-CG 4.41Å; N295-R304 WeakPolarHBondContact OD1-CD 3.06Å; N295-R304 PolarHBondContact OD1-NH1 3.08Å
296	I	98.4	Very high	97.5	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	119.4	175.8	-44.8	-176.6	0	0	0	107.8	I43 M45 L284 I285 M286 R304 V305 G306 L308	I43-I296 HydrophobicContact CB-CD1 4.25Å; I43-I296 HydrophobicContact CG2-CD1 3.67Å; M45-I296 HydrophobicContact CG-CD1 4.46Å; M45-I296 HydrophobicContact SD-CD1 3.94Å; L284-I296 HydrophobicContact CB-CG2 4.11Å; L284-I296 HydrophobicContact CD1-CG2 4.17Å; L284-I296 HydrophobicContact CD2-CG2 4.19Å; L284-I296 HydrophobicContact CG-CG2 4.39Å; I285-I296 WeakPolarHBondContact O-CA 3.48Å; M286-I296 HydrophobicContact CG-CG1 4.08Å; M286-I296 HydrophobicContact CG-CG2 4.17Å; I296-R304 CarbonylContact O-C 3.57Å; I296-V305 HydrophobicContact CB-CG2 4.34Å; I296-V305 HydrophobicContact CG2-CG2 4.03Å; I296-V305 WeakPolarHBondContact O-CG2 3.5Å; I296-V305 PolarHBondContact O-N 3.44Å; I296-G306 PolarHBondContact N-O 3.2Å; I296-G306 PolarHBondContact O-N 3.36Å; I296-L308 HydrophobicContact CD1-CD2 3.9Å; I296-L308 HydrophobicContact CD1-CG 4.13Å; I296-L308 HydrophobicContact CG1-CG 4.4Å
297	W	98.4	Very high	97.5	Very high	3 Å²	3	30.8 Å²	30.8	1%	0.011	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	142.2	-178.7	-52.4	88.9	0	0	0	111.3	Y264 D266 I269 L284 I285 Y289 N295 M299 E303 R304	Y264-W297 HydrophobicContact CD1-CB 3.92Å; Y264-W297 HydrophobicContact CD1-CG 4.35Å; D266-W297 HydrophobicContact CB-CH2 3.74Å; D266-W297 HydrophobicContact CB-CZ3 4.46Å; I269-W297 HydrophobicContact CD1-CH2 4.12Å; I269-W297 HydrophobicContact CD1-CZ2 3.77Å; L284-W297 WeakPolarHBondContact CA-O 3.19Å; I285-W297 HydrophobicContact CG2-CB 3.64Å; I285-W297 HydrophobicContact CG2-CG 4.25Å; I285-W297 PolarHBondContact N-O 2.87Å; I285-W297 PolarHBondContact O-N 3.17Å; Y289-W297 PolarHBondContact OH-NE1 2.62Å; N295-W297 HydrophobicContact CB-CZ2 4.22Å; W297-M299 PolarHBondContact O-N 2.95Å; W297-E303 WeakPolarHBondContact CA-O 3.23Å; W297-R304 HydrophobicContact CD2-CB 4.38Å; W297-R304 HydrophobicContact CE3-CB 3.86Å; W297-R304 HydrophobicContact CH2-CB 4.25Å; W297-R304 HydrophobicContact CZ3-CB 3.8Å
298	D	97.8	Very high	97.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	112.8	165	-174.4	-22.1	0	0	0	109.3	V39 V40 R283 L300 K301 A302 E303 V305	V39-D298 WeakPolarHBondContact CA-OD2 3.41Å; V39-D298 HydrophobicContact CG1-CB 4.46Å; V40-D298 WeakPolarHBondContact CG2-OD2 3.33Å; V40-D298 PolarHBondContact N-OD2 3.34Å; R283-D298 IonicContact CZ-OD1 3.47Å; R283-D298 IonicContact CZ-OD2 3.89Å; R283-D298 IonicContact NE-OD1 3.33Å; R283-D298 PolarHBondContact NE-OD1 3.43Å; R283-D298 IonicContact NE-OD2 2.74Å; R283-D298 PolarHBondContact NE-OD2 3.04Å; R283-D298 IonicContact NH2-OD1 2.74Å; R283-D298 IonicContact NH2-OD2 3.47Å; R283-D298 PolarHBondContact NH2-OD2 3.38Å; D298-L300 PolarHBondContact O-N 3.3Å; D298-L300 PolarHBondContact OD1-N 3.08Å; D298-K301 HydrophobicContact CB-CB 4.21Å; D298-K301 PolarHBondContact O-N 3.43Å; D298-K301 VanDerWaalsContact O-N 3.16Å; D298-A302 PolarHBondContact O-N 2.91Å; D298-E303 PolarHBondContact N-O 3.16Å; D298-V305 HydrophobicContact CB-CG1 3.86Å
299	M	95.9	Very high	97.5	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.015	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.9	-175.5	-77.9	-94.8	-77.8	0	0	113.7	F235 I242 L252 Y264 G282 R283 I285 W297	F235-M299 HydrophobicContact CD2-CE 3.41Å; F235-M299 VanDerWaalsContact CD2-CE 3.41Å; F235-M299 HydrophobicContact CE2-CE 3.61Å; I242-M299 HydrophobicContact CD1-CE 3.53Å; I242-M299 HydrophobicContact CD1-SD 4.03Å; I242-M299 HydrophobicContact CG1-CE 3.93Å; I242-M299 HydrophobicContact CG1-SD 4.34Å; L252-M299 HydrophobicContact CD1-CE 4.02Å; L252-M299 HydrophobicContact CD2-CE 4.19Å; Y264-M299 HydrophobicContact CE2-SD 4.11Å; Y264-M299 VanDerWaalsContact OH-CA 3.26Å; Y264-M299 WeakPolarHBondContact OH-CA 3.49Å; Y264-M299 PolarHBondContact OH-O 2.83Å; Y264-M299 PolarHBondContact OH-SD 3.26Å; G282-M299 WeakPolarHBondContact O-CB 3.46Å; G282-M299 WeakPolarHBondContact O-CG 3.22Å; R283-M299 WeakPolarHBondContact O-CB 3.4Å; R283-M299 PolarHBondContact O-N 2.79Å; I285-M299 HydrophobicContact CB-CG 4.03Å; I285-M299 HydrophobicContact CB-SD 3.89Å; I285-M299 HydrophobicContact CG2-CG 3.89Å; I285-M299 HydrophobicContact CG2-SD 3.81Å; W297-M299 PolarHBondContact O-N 2.95Å
300	L	96.6	Very high	97.4	Very high	46 Å²	46	35.4 Å²	35.4	24%	0.241	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-18.8	-178.4	-63.7	178.1	0	0	0	112.9	L30 A34 I37 D298	L30-L300 HydrophobicContact CD1-CD2 4.28Å; A34-L300 HydrophobicContact CB-CB 4.13Å; I37-L300 HydrophobicContact CD1-CD1 3.73Å; I37-L300 HydrophobicContact CG2-CD1 4.2Å; D298-L300 PolarHBondContact O-N 3.3Å; D298-L300 PolarHBondContact OD1-N 3.08Å
301	K	95.9	Very high	97.4	Very high	37 Å²	37	33.7 Å²	33.7	16%	0.161	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-12.6	-168.5	-62.6	-62.7	-169.7	174.9	0	113.9	A34 I37 V39 D298 E303	A34-K301 WeakPolarHBondContact O-CE 3.33Å; A34-K301 PolarHBondContact O-NZ 2.98Å; I37-K301 WeakPolarHBondContact O-CE 3.43Å; I37-K301 PolarHBondContact O-NZ 2.52Å; V39-K301 HydrophobicContact CB-CG 4.49Å; V39-K301 HydrophobicContact CG2-CB 4.14Å; V39-K301 HydrophobicContact CG2-CD 4.38Å; V39-K301 HydrophobicContact CG2-CG 3.88Å; D298-K301 HydrophobicContact CB-CB 4.21Å; D298-K301 PolarHBondContact O-N 3.43Å; D298-K301 VanDerWaalsContact O-N 3.16Å; K301-E303 HydrophobicContact CB-CB 4.35Å; K301-E303 HydrophobicContact CB-CG 4.2Å; K301-E303 PolarHBondContact O-N 3.24Å
302	A	96.3	Very high	97.5	Very high	20 Å²	20	37.2 Å²	37.2	17%	0.165	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	28.7	-170.1	0	0	0	0	0	113.9	I262 T263 Y264 D298	I262-A302 HydrophobicContact CD1-CB 3.59Å; I262-A302 HydrophobicContact CG1-CB 3.85Å; T263-A302 WeakPolarHBondContact O-CB 3.3Å; Y264-A302 HydrophobicContact CD1-CB 3.86Å; Y264-A302 HydrophobicContact CE1-CB 4.16Å; D298-A302 PolarHBondContact O-N 2.91Å
303	E	96.2	Very high	97.5	Very high	103 Å²	103	35.6 Å²	35.6	48%	0.481	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	137.6	177.1	-71.1	-170.4	-158.2	0	0	110.5	V39 W297 D298 K301 V305	V39-E303 HydrophobicContact CG1-CB 4.06Å; V39-E303 WeakPolarHBondContact CG1-OE2 3.25Å; V39-E303 WeakPolarHBondContact CG2-OE2 3.3Å; W297-E303 WeakPolarHBondContact CA-O 3.23Å; D298-E303 PolarHBondContact N-O 3.16Å; K301-E303 HydrophobicContact CB-CB 4.35Å; K301-E303 HydrophobicContact CB-CG 4.2Å; K301-E303 PolarHBondContact O-N 3.24Å; E303-V305 PolarHBondContact O-N 2.89Å
304	R	97.3	Very high	97.5	Very high	110 Å²	110	36.3 Å²	36.3	42%	0.415	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	112	171.8	-177.5	174.5	56.3	173.8	-12	109.4	D266 N295 I296 W297	D266-R304 IonicContact OD2-CZ 2.8Å; D266-R304 IonicContact OD2-NE 3Å; D266-R304 IonicContact OD2-NH2 3.57Å; D266-R304 PolarHBondContact OD2-NH2 2.95Å; N295-R304 HydrophobicContact CB-CG 4.41Å; N295-R304 WeakPolarHBondContact OD1-CD 3.06Å; N295-R304 PolarHBondContact OD1-NH1 3.08Å; I296-R304 CarbonylContact O-C 3.57Å; W297-R304 HydrophobicContact CD2-CB 4.38Å; W297-R304 HydrophobicContact CE3-CB 3.86Å; W297-R304 HydrophobicContact CH2-CB 4.25Å; W297-R304 HydrophobicContact CZ3-CB 3.8Å
305	V	97.8	Very high	97.5	Very high	11 Å²	11	36.3 Å²	36.3	7%	0.067	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-11.7	-176.4	-63.4	0	0	0	0	113.4	V39 V40 R42 I43 L284 I296 D298 E303	V39-V305 HydrophobicContact CG1-CG1 3.74Å; V40-V305 HydrophobicContact CB-CG1 4.33Å; V40-V305 VanDerWaalsContact O-CG1 3.29Å; V40-V305 WeakPolarHBondContact O-CG1 3.32Å; R42-V305 CarbonylContact C-O 3.5Å; R42-V305 VanDerWaalsContact CA-O 3.31Å; R42-V305 WeakPolarHBondContact CA-O 3.25Å; I43-V305 HydrophobicContact CG1-CB 4.47Å; I43-V305 HydrophobicContact CG1-CG2 3.97Å; I43-V305 PolarHBondContact N-O 3.41Å; L284-V305 HydrophobicContact CD2-CG2 3.9Å; I296-V305 HydrophobicContact CB-CG2 4.34Å; I296-V305 HydrophobicContact CG2-CG2 4.03Å; I296-V305 WeakPolarHBondContact O-CG2 3.5Å; I296-V305 PolarHBondContact O-N 3.44Å; D298-V305 HydrophobicContact CB-CG1 3.86Å; E303-V305 PolarHBondContact O-N 2.89Å
306	G	97.5	Very high	97.5	Very high	7 Å²	7	37 Å²	37	7%	0.072	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	164.6	179.1	0	0	0	0	0	113.3	I296	I296-G306 PolarHBondContact N-O 3.2Å; I296-G306 PolarHBondContact O-N 3.36Å
307	V	97.9	Very high	97.5	Very high	68 Å²	68	37.4 Å²	37.4	41%	0.412	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	129.8	175	-177.2	0	0	0	0	108.6	N293 V294 A309	N293-V307 HydrophobicContact CB-CG1 4.09Å; V294-V307 CarbonylContact O-C 3.56Å; V294-V307 WeakPolarHBondContact O-CA 3.28Å; V307-A309 HydrophobicContact CG1-CB 4.38Å
308	L	98.1	Very high	97.5	Very high	4 Å²	4	38 Å²	38	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	94.2	168.7	-43.7	178.3	0	0	0	108	M45 V294 I296 W339	M45-L308 HydrophobicContact CB-CD2 3.69Å; M45-L308 HydrophobicContact CG-CD2 4.12Å; M45-L308 HydrophobicContact SD-CD1 4.31Å; M45-L308 HydrophobicContact SD-CD2 4.03Å; V294-L308 HydrophobicContact CB-CB 3.98Å; V294-L308 HydrophobicContact CB-CD1 4.2Å; V294-L308 HydrophobicContact CB-CG 4.21Å; V294-L308 HydrophobicContact CG1-CD1 4.2Å; V294-L308 PolarHBondContact N-O 3.29Å; V294-L308 VanDerWaalsContact N-O 3.15Å; V294-L308 PolarHBondContact O-N 3.01Å; I296-L308 HydrophobicContact CD1-CD2 3.9Å; I296-L308 HydrophobicContact CD1-CG 4.13Å; I296-L308 HydrophobicContact CG1-CG 4.4Å; L308-W339 HydrophobicContact CB-CD2 4.25Å; L308-W339 HydrophobicContact CB-CE3 4.12Å; L308-W339 HydrophobicContact CB-CH2 3.96Å; L308-W339 HydrophobicContact CB-CZ2 4.09Å; L308-W339 HydrophobicContact CB-CZ3 3.97Å; L308-W339 HydrophobicContact CD1-CB 4.37Å; L308-W339 HydrophobicContact CD1-CD2 3.96Å; L308-W339 HydrophobicContact CD1-CE3 4.41Å; L308-W339 HydrophobicContact CD1-CG 3.94Å; L308-W339 HydrophobicContact CD2-CD2 4.34Å; L308-W339 HydrophobicContact CD2-CE3 3.96Å; L308-W339 HydrophobicContact CD2-CZ3 4.38Å; L308-W339 HydrophobicContact CG-CD2 4.43Å; L308-W339 HydrophobicContact CG-CE3 4.41Å
309	A	97.4	Very high	97.5	Very high	69 Å²	69	38.5 Å²	38.5	57%	0.57	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	114	173.8	0	0	0	0	0	108.5	N293 V307	N293-A309 WeakPolarHBondContact OD1-CB 3.45Å; V307-A309 HydrophobicContact CG1-CB 4.38Å
310	G	96.9	Very high	97.6	Very high	25 Å²	25	39.9 Å²	39.9	26%	0.258	22%	0.223	S	C	.	.			trans	-174	1.5	177	0	0	0	0	0	115.4	K337	G310-K337 WeakPolarHBondContact O-CE 3.17Å; G310-K337 PolarHBondContact O-NZ 2.84Å
311	H	98.4	Very high	97.7	Very high	11 Å²	11	37.9 Å²	37.9	5%	0.051	21%	0.213	C	C	.	.			trans	-99	149.8	170.1	-75.4	-70.8	0	0	0	110	V315 T329 S331 D333 F335	H311-V315 HydrophobicContact CB-CG2 4.38Å; H311-T329 PolarHBondContact NE2-OG1 2.76Å; H311-S331 VanDerWaalsContact CG-CB 3.45Å; H311-S331 WeakPolarHBondContact ND1-CB 3.46Å; H311-D333 WeakPolarHBondContact CA-OD2 3.26Å; H311-D333 WeakPolarHBondContact CB-OD2 3.32Å; H311-D333 IonicContact CE1-OD1 3Å; H311-D333 IonicContact CE1-OD2 3.28Å; H311-D333 IonicContact CG-OD2 2.84Å; H311-D333 IonicContact ND1-OD1 3.88Å; H311-D333 PolarHBondContact ND1-OD1 3.38Å; H311-D333 IonicContact ND1-OD2 4Å; H311-D333 PolarHBondContact ND1-OD2 3.13Å; H311-F335 PolarHBondContact CE1-O 3.07Å
312	D	98	Very high	97.6	Very high	132 Å²	132	39 Å²	39	71%	0.706	23%	0.229	S	C	*	.	S	Bend	trans	-98	7.5	-180	-60.6	-43.3	0	0	0	112.1	D333	D312-D333 HydrophobicContact CB-CB 4.4Å; D312-D333 PolarHBondContact N-OD2 2.83Å
313	N	98.4	Very high	97.6	Very high	52 Å²	52	41.6 Å²	41.6	28%	0.278	24%	0.24	S	C	.	.	S	Bend	trans	-158	172.7	-179.8	-149.8	-36.2	0	0	0	110.5	F292 V315 S331 W332 D333	F292-N313 WeakPolarHBondContact CB-O 3.24Å; F292-N313 VanDerWaalsContact CD1-CA 3.49Å; F292-N313 VanDerWaalsContact CG-C 3.45Å; N313-V315 PolarHBondContact O-N 3.44Å; N313-S331 PolarHBondContact O-OG 3.27Å; N313-W332 HydrophobicContact CB-CB 3.9Å; N313-D333 HydrophobicContact CB-CB 4.09Å
314	R	98	Very high	97.6	Very high	59 Å²	59	38.4 Å²	38.4	22%	0.223	23%	0.234	C	C	.	.			trans	-41.4	126.1	-179.3	171.2	-178.8	174.2	139.3	-3.4	111.3	T274 D290 S316 S331 W332	T274-R314 HydrophobicContact CG2-CG 4.01Å; T274-R314 VanDerWaalsContact CG2-CZ 3.47Å; T274-R314 VanDerWaalsContact CG2-NE 3.3Å; D290-R314 WeakPolarHBondContact OD1-CD 3.43Å; D290-R314 VanDerWaalsContact OD1-CG 3.22Å; D290-R314 WeakPolarHBondContact OD1-CG 3.47Å; D290-R314 IonicContact OD1-CZ 3.53Å; D290-R314 IonicContact OD1-NE 3.82Å; D290-R314 PolarHBondContact OD1-NE 3.44Å; D290-R314 IonicContact OD1-NH1 3.68Å; D290-R314 PolarHBondContact OD1-NH1 2.98Å; D290-R314 IonicContact OD1-NH2 3.79Å; D290-R314 IonicContact OD2-NH1 2.62Å; D290-R314 PolarHBondContact OD2-NH1 3.35Å; R314-S316 PolarHBondContact O-N 2.78Å; R314-S331 VanDerWaalsContact O-CA 3.27Å; R314-S331 WeakPolarHBondContact O-CA 3.43Å; R314-S331 WeakPolarHBondContact O-CB 3.34Å; R314-S331 PolarHBondContact O-OG 2.8Å; R314-W332 HydrophobicContact CB-CD2 4.07Å; R314-W332 HydrophobicContact CB-CE3 4.05Å; R314-W332 HydrophobicContact CB-CG 4.29Å; R314-W332 HydrophobicContact CG-CD2 4.46Å; R314-W332 PolarHBondContact O-N 3.33Å
315	V	98.6	Very high	97.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	117.3	168	-179.5	0	0	0	0	106	T274 Y289 F292 V294 H311 N313	T274-V315 VanDerWaalsContact CB-O 3.28Å; T274-V315 WeakPolarHBondContact CB-O 3.49Å; T274-V315 WeakPolarHBondContact CG2-O 3.47Å; T274-V315 PolarHBondContact OG1-O 2.83Å; Y289-V315 PolarHBondContact O-N 2.79Å; F292-V315 WeakPolarHBondContact O-CG2 3.36Å; V294-V315 HydrophobicContact CG2-CB 4.35Å; V294-V315 HydrophobicContact CG2-CG1 3.9Å; V294-V315 HydrophobicContact CG2-CG2 3.95Å; H311-V315 HydrophobicContact CB-CG2 4.38Å; N313-V315 PolarHBondContact O-N 3.44Å
316	S	98.4	Very high	97.6	Very high	15 Å²	15	39.7 Å²	39.7	11%	0.105	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-27.3	-173.7	61.4	0	0	0	0	112.6	I58 R314 G330	I58-S316 WeakPolarHBondContact O-CB 3.3Å; I58-S316 PolarHBondContact O-OG 3.48Å; R314-S316 PolarHBondContact O-N 2.78Å; S316-G330 PolarHBondContact N-O 3.41Å; S316-G330 PolarHBondContact OG-O 3.27Å
317	C	98.3	Very high	97.6	Very high	10 Å²	10	39.4 Å²	39.4	7%	0.068	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	150.8	-176.6	55.7	0	0	0	0	111.7	Y59 A60 M61 S275 T329 G330	Y59-C317 WeakPolarHBondContact O-CB 3.3Å; A60-C317 VanDerWaalsContact C-SG 3.59Å; M61-C317 HydrophobicContact CG-CB 4.07Å; M61-C317 VanDerWaalsContact CG-SG 3.54Å; S275-C317 WeakPolarHBondContact OG-CA 3.16Å; C317-T329 WeakPolarHBondContact O-CA 3.44Å; C317-G330 PolarHBondContact N-O 2.97Å; C317-G330 PolarHBondContact O-N 2.73Å
318	I	98.4	Very high	97.6	Very high	16 Å²	16	36.1 Å²	36.1	8%	0.082	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	148.4	178	-168.4	168.3	0	0	0	109.8	L276 A277 M286 V294 C327 C328 T329	L276-I318 VanDerWaalsContact C-CG2 3.45Å; A277-I318 HydrophobicContact CB-CG1 4.24Å; A277-I318 HydrophobicContact CB-CG2 3.93Å; M286-I318 HydrophobicContact CB-CD1 3.4Å; M286-I318 HydrophobicContact CG-CD1 4.49Å; V294-I318 HydrophobicContact CG1-CD1 3.64Å; V294-I318 HydrophobicContact CG2-CD1 4.39Å; I318-C327 WeakPolarHBondContact CG1-SG 3.38Å; I318-C328 CarbonylContact C-O 3.6Å; I318-C328 WeakPolarHBondContact CA-O 3.23Å; I318-T329 HydrophobicContact CD1-CG2 4.02Å; I318-T329 HydrophobicContact CG1-CG2 3.99Å
319	G	97.8	Very high	97.6	Very high	11 Å²	11	36 Å²	36	11%	0.113	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	140.5	173.5	0	0	0	0	0	111.5	W63 C327 C328	W63-G319 VanDerWaalsContact CD1-C 3.48Å; W63-G319 PolarHBondContact NE1-O 3.4Å; G319-C327 CarbonylContact O-C 3.49Å; G319-C327 WeakPolarHBondContact O-CA 3.22Å; G319-C328 PolarHBondContact N-O 2.88Å; G319-C328 PolarHBondContact O-N 2.58Å
320	V	98.1	Very high	97.7	Very high	32 Å²	32	32.7 Å²	32.7	19%	0.194	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	139	171.3	177.5	0	0	0	0	108.7	A277 M286 C327	A277-V320 HydrophobicContact CB-CB 4.49Å; A277-V320 HydrophobicContact CB-CG2 3.78Å; M286-V320 HydrophobicContact CE-CG2 3.13Å; V320-C327 HydrophobicContact CG2-CB 4.46Å
321	S	97.4	Very high	97.8	Very high	4 Å²	4	31.5 Å²	31.5	3%	0.028	19%	0.185	C	C	.	.			trans	-63.4	151.8	175.5	61.1	0	0	0	0	111.2	D323 G324 M325 A326	S321-D323 VanDerWaalsContact CB-OD1 3.3Å; S321-D323 WeakPolarHBondContact CB-OD1 3.48Å; S321-D323 PolarHBondContact O-N 2.99Å; S321-D323 PolarHBondContact OG-OD1 3.39Å; S321-G324 WeakPolarHBondContact O-CA 3.33Å; S321-G324 PolarHBondContact O-N 2.88Å; S321-M325 PolarHBondContact OG-N 2.77Å; S321-M325 VanDerWaalsContact OG-N 3.13Å; S321-A326 PolarHBondContact N-O 3.2Å; S321-A326 PolarHBondContact OG-N 3.41Å; S321-A326 PolarHBondContact OG-O 2.97Å
322	A	94.8	Very high	97.8	Very high	60 Å²	60	33.8 Å²	33.8	50%	0.496	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.8	-175.3	0	0	0	0	0	113.1	S67	S67-A322 WeakPolarHBondContact OG-CB 3.39Å; S67-A322 PolarHBondContact OG-N 3.04Å; S67-A322 VanDerWaalsContact OG-N 3.11Å
323	D	96.4	Very high	97.8	Very high	75 Å²	75	28.6 Å²	28.6	40%	0.401	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-4.7	173	66.9	0.5	0	0	0	114.3	S67 S321 M325	S67-D323 VanDerWaalsContact CB-CG 3.43Å; S67-D323 WeakPolarHBondContact CB-OD2 3.36Å; S67-D323 PolarHBondContact OG-N 3.3Å; S321-D323 VanDerWaalsContact CB-OD1 3.3Å; S321-D323 WeakPolarHBondContact CB-OD1 3.48Å; S321-D323 PolarHBondContact O-N 2.99Å; S321-D323 PolarHBondContact OG-OD1 3.39Å; D323-M325 HydrophobicContact CB-CG 4.23Å; D323-M325 VanDerWaalsContact CG-CG 3.41Å; D323-M325 PolarHBondContact O-N 3.3Å; D323-M325 VanDerWaalsContact OD1-CB 3.32Å; D323-M325 WeakPolarHBondContact OD1-CB 3.1Å; D323-M325 PolarHBondContact OD1-N 2.98Å; D323-M325 VanDerWaalsContact OD2-CG 3.25Å; D323-M325 WeakPolarHBondContact OD2-CG 3.3Å
324	G	96.3	Very high	97.8	Very high	35 Å²	35	27.1 Å²	27.1	36%	0.361	16%	0.16	S	C	.	.	S	Bend	trans	71.2	7.5	-177.9	0	0	0	0	0	115.5	S321	S321-G324 WeakPolarHBondContact O-CA 3.33Å; S321-G324 PolarHBondContact O-N 2.88Å
325	M	96.9	Very high	97.8	Very high	133 Å²	133	27.6 Å²	27.6	66%	0.655	16%	0.164	S	C	*	.	S	Bend	trans	-74.7	-24.5	-175	-71.6	-69.6	176.1	0	0	114.3	S321 D323 N340	S321-M325 PolarHBondContact OG-N 2.77Å; S321-M325 VanDerWaalsContact OG-N 3.13Å; D323-M325 HydrophobicContact CB-CG 4.23Å; D323-M325 VanDerWaalsContact CG-CG 3.41Å; D323-M325 PolarHBondContact O-N 3.3Å; D323-M325 VanDerWaalsContact OD1-CB 3.32Å; D323-M325 WeakPolarHBondContact OD1-CB 3.1Å; D323-M325 PolarHBondContact OD1-N 2.98Å; D323-M325 VanDerWaalsContact OD2-CG 3.25Å; D323-M325 WeakPolarHBondContact OD2-CG 3.3Å; M325-N340 WeakPolarHBondContact O-CB 3.32Å
326	A	97.1	Very high	97.8	Very high	15 Å²	15	27.6 Å²	27.6	12%	0.124	16%	0.164	C	C	.	.			trans	-147.3	151.5	-177.5	0	0	0	0	0	112.6	W63 S321 I338 W339	W63-A326 HydrophobicContact CZ2-CB 4.49Å; S321-A326 PolarHBondContact N-O 3.2Å; S321-A326 PolarHBondContact OG-N 3.41Å; S321-A326 PolarHBondContact OG-O 2.97Å; A326-I338 HydrophobicContact CB-CG2 3.79Å; A326-W339 WeakPolarHBondContact CA-O 3.3Å
327	C	97.6	Very high	97.8	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137.6	166.3	-178.8	0	0	0	0	109.1	M45 M286 I318 G319 V320 I338 W339	M45-C327 HydrophobicContact CE-CB 4.08Å; M286-C327 HydrophobicContact CE-CB 4.21Å; M286-C327 HydrophobicContact SD-CB 3.81Å; I318-C327 WeakPolarHBondContact CG1-SG 3.38Å; G319-C327 CarbonylContact O-C 3.49Å; G319-C327 WeakPolarHBondContact O-CA 3.22Å; V320-C327 HydrophobicContact CG2-CB 4.46Å; C327-I338 CarbonylContact O-C 3.59Å; C327-I338 WeakPolarHBondContact O-CA 3.4Å; C327-W339 HydrophobicContact CB-CB 4.43Å; C327-W339 PolarHBondContact N-O 2.73Å; C327-W339 PolarHBondContact O-N 2.93Å
328	C	98.5	Very high	97.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.7	170.1	-173.9	0	0	0	0	109.7	M61 W63 I318 G319 K337 I338	M61-C328 HydrophobicContact CE-CB 3.48Å; M61-C328 VanDerWaalsContact CE-CB 3.48Å; M61-C328 VanDerWaalsContact CE-SG 3.56Å; M61-C328 HydrophobicContact SD-CB 4.19Å; W63-C328 HydrophobicContact CZ2-CB 3.52Å; I318-C328 CarbonylContact C-O 3.6Å; I318-C328 WeakPolarHBondContact CA-O 3.23Å; G319-C328 PolarHBondContact N-O 2.88Å; G319-C328 PolarHBondContact O-N 2.58Å; C328-K337 CarbonylContact C-O 3.58Å; C328-K337 VanDerWaalsContact CA-O 3.31Å; C328-K337 WeakPolarHBondContact CA-O 3.26Å; C328-I338 HydrophobicContact CB-CD1 3.58Å; C328-I338 WeakPolarHBondContact SG-CD1 3.19Å
329	T	98.8	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138	171.7	59	0	0	0	0	109.1	V294 H311 C317 I318 L336 K337 W339	V294-T329 HydrophobicContact CG2-CG2 3.77Å; H311-T329 PolarHBondContact NE2-OG1 2.76Å; C317-T329 WeakPolarHBondContact O-CA 3.44Å; I318-T329 HydrophobicContact CD1-CG2 4.02Å; I318-T329 HydrophobicContact CG1-CG2 3.99Å; T329-L336 CarbonylContact O-C 3.59Å; T329-L336 WeakPolarHBondContact O-CA 3.37Å; T329-K337 PolarHBondContact N-O 3.49Å; T329-K337 PolarHBondContact O-N 3.01Å; T329-W339 PolarHBondContact OG1-NE1 3.4Å
330	G	98.7	Very high	97.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145.9	170.4	0	0	0	0	0	110.3	S316 C317	S316-G330 PolarHBondContact N-O 3.41Å; S316-G330 PolarHBondContact OG-O 3.27Å; C317-G330 PolarHBondContact N-O 2.97Å; C317-G330 PolarHBondContact O-N 2.73Å
331	S	98.8	Very high	97.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	163.2	-174.7	167.5	0	0	0	0	112.3	I58 H311 N313 R314 D333 S334 F335	I58-S331 WeakPolarHBondContact CB-O 3.4Å; I58-S331 PolarHBondContact N-O 3.42Å; H311-S331 VanDerWaalsContact CG-CB 3.45Å; H311-S331 WeakPolarHBondContact ND1-CB 3.46Å; N313-S331 PolarHBondContact O-OG 3.27Å; R314-S331 VanDerWaalsContact O-CA 3.27Å; R314-S331 WeakPolarHBondContact O-CA 3.43Å; R314-S331 WeakPolarHBondContact O-CB 3.34Å; R314-S331 PolarHBondContact O-OG 2.8Å; S331-D333 VanDerWaalsContact CB-OD1 3.31Å; S331-D333 WeakPolarHBondContact CB-OD1 3.31Å; S331-D333 PolarHBondContact O-N 3.03Å; S331-D333 PolarHBondContact OG-N 3Å; S331-D333 VanDerWaalsContact OG-N 3.15Å; S331-D333 PolarHBondContact OG-OD1 3.47Å; S331-S334 PolarHBondContact O-N 2.88Å; S331-S334 VanDerWaalsContact O-N 3.16Å; S331-F335 PolarHBondContact N-O 3.25Å
332	W	98.6	Very high	97.6	Very high	60 Å²	60	33.6 Å²	33.6	23%	0.227	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-10.1	169.8	-74.3	9.9	0	0	0	114.1	K57 I58 Y59 N313 R314 S334	K57-W332 HydrophobicContact CB-CB 4.21Å; K57-W332 HydrophobicContact CB-CG 3.97Å; K57-W332 HydrophobicContact CD-CB 4.24Å; K57-W332 HydrophobicContact CD-CD2 3.77Å; K57-W332 HydrophobicContact CD-CE3 4.11Å; K57-W332 HydrophobicContact CD-CG 3.85Å; K57-W332 HydrophobicContact CG-CB 3.89Å; K57-W332 HydrophobicContact CG-CD2 4.36Å; K57-W332 HydrophobicContact CG-CG 3.9Å; I58-W332 VanDerWaalsContact O-CD1 3.25Å; Y59-W332 AromaticContact CE2-NE1 3.77Å; Y59-W332 AromaticContact CZ-NE1 3.99Å; N313-W332 HydrophobicContact CB-CB 3.9Å; R314-W332 HydrophobicContact CB-CD2 4.07Å; R314-W332 HydrophobicContact CB-CE3 4.05Å; R314-W332 HydrophobicContact CB-CG 4.29Å; R314-W332 HydrophobicContact CG-CD2 4.46Å; R314-W332 PolarHBondContact O-N 3.33Å; W332-S334 PolarHBondContact O-N 3.26Å
333	D	98.3	Very high	97.8	Very high	22 Å²	22	32.1 Å²	32.1	12%	0.118	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	1.3	169.5	71.2	7.9	0	0	0	113.9	H311 D312 N313 S331 F335	H311-D333 WeakPolarHBondContact CA-OD2 3.26Å; H311-D333 WeakPolarHBondContact CB-OD2 3.32Å; H311-D333 IonicContact CE1-OD1 3Å; H311-D333 IonicContact CE1-OD2 3.28Å; H311-D333 IonicContact CG-OD2 2.84Å; H311-D333 IonicContact ND1-OD1 3.88Å; H311-D333 PolarHBondContact ND1-OD1 3.38Å; H311-D333 IonicContact ND1-OD2 4Å; H311-D333 PolarHBondContact ND1-OD2 3.13Å; D312-D333 HydrophobicContact CB-CB 4.4Å; D312-D333 PolarHBondContact N-OD2 2.83Å; N313-D333 HydrophobicContact CB-CB 4.09Å; S331-D333 VanDerWaalsContact CB-OD1 3.31Å; S331-D333 WeakPolarHBondContact CB-OD1 3.31Å; S331-D333 PolarHBondContact O-N 3.03Å; S331-D333 PolarHBondContact OG-N 3Å; S331-D333 VanDerWaalsContact OG-N 3.15Å; S331-D333 PolarHBondContact OG-OD1 3.47Å; D333-F335 VanDerWaalsContact C-N 3.27Å; D333-F335 HydrophobicContact CB-CD2 4.18Å; D333-F335 VanDerWaalsContact O-CD2 3.28Å; D333-F335 WeakPolarHBondContact O-CD2 3.45Å; D333-F335 WeakPolarHBondContact O-CE2 3.39Å; D333-F335 PolarHBondContact O-N 2.93Å; D333-F335 WeakPolarHBondContact OD1-CB 3.42Å; D333-F335 PolarHBondContact OD1-N 3.1Å
334	S	98.4	Very high	97.8	Very high	22 Å²	22	29.6 Å²	29.6	15%	0.154	16%	0.158	C	C	.	.	S	Bend	trans	72.6	10.7	179.9	-39.9	0	0	0	0	114.9	A56 I58 S331 W332	A56-S334 WeakPolarHBondContact CA-OG 3.38Å; A56-S334 WeakPolarHBondContact O-CB 3.28Å; A56-S334 PolarHBondContact O-OG 3.23Å; A56-S334 VanDerWaalsContact O-OG 3.09Å; I58-S334 VanDerWaalsContact CD1-C 3.41Å; S331-S334 PolarHBondContact O-N 2.88Å; S331-S334 VanDerWaalsContact O-N 3.16Å; W332-S334 PolarHBondContact O-N 3.26Å
335	F	98.4	Very high	97.9	Very high	69 Å²	69	29.3 Å²	29.3	30%	0.303	15%	0.145	S	C	.	.			trans	-108.9	148.1	176.7	-59.5	-66.5	0	0	0	112.4	T50 R52 I58 H311 S331 D333	T50-F335 HydrophobicContact CG2-CB 4.23Å; T50-F335 HydrophobicContact CG2-CD1 4.08Å; T50-F335 HydrophobicContact CG2-CG 4.32Å; R52-F335 HydrophobicContact CB-CE1 4.44Å; R52-F335 HydrophobicContact CG-CD1 3.87Å; R52-F335 HydrophobicContact CG-CE1 3.8Å; I58-F335 WeakPolarHBondContact CD1-O 3.31Å; H311-F335 PolarHBondContact CE1-O 3.07Å; S331-F335 PolarHBondContact N-O 3.25Å; D333-F335 VanDerWaalsContact C-N 3.27Å; D333-F335 HydrophobicContact CB-CD2 4.18Å; D333-F335 VanDerWaalsContact O-CD2 3.28Å; D333-F335 WeakPolarHBondContact O-CD2 3.45Å; D333-F335 WeakPolarHBondContact O-CE2 3.39Å; D333-F335 PolarHBondContact O-N 2.93Å; D333-F335 WeakPolarHBondContact OD1-CB 3.42Å; D333-F335 PolarHBondContact OD1-N 3.1Å
336	L	98.8	Very high	98	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	141.4	158.1	-57	93.9	0	0	0	110.1	T50 L51 I58 M61 W82 T329	T50-L336 CarbonylContact C-O 3.5Å; T50-L336 WeakPolarHBondContact CA-O 3.24Å; L51-L336 HydrophobicContact CB-CB 4.06Å; L51-L336 HydrophobicContact CB-CD1 4.38Å; L51-L336 HydrophobicContact CD1-CB 4.05Å; L51-L336 HydrophobicContact CG-CB 4.24Å; L51-L336 PolarHBondContact N-O 2.81Å; L51-L336 PolarHBondContact O-N 2.76Å; I58-L336 HydrophobicContact CD1-CD1 3.48Å; I58-L336 VanDerWaalsContact CD1-CD1 3.48Å; I58-L336 HydrophobicContact CD1-CG 3.86Å; I58-L336 HydrophobicContact CG1-CD1 4.5Å; M61-L336 HydrophobicContact CB-CD2 3.88Å; M61-L336 HydrophobicContact CG-CD2 4.34Å; W82-L336 HydrophobicContact CZ2-CD1 4.26Å; T329-L336 CarbonylContact O-C 3.59Å; T329-L336 WeakPolarHBondContact O-CA 3.37Å
337	K	98.7	Very high	98.1	Very high	33 Å²	33	22.9 Å²	22.9	14%	0.143	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.3	178.1	-67.3	-177.5	-172.7	-131.4	0	110.1	T47 K49 T50 G310 C328 T329 W339	T47-K337 HydrophobicContact CG2-CB 4.04Å; T47-K337 HydrophobicContact CG2-CD 4.27Å; T47-K337 HydrophobicContact CG2-CG 4.14Å; K49-K337 WeakPolarHBondContact O-CA 3.25Å; T50-K337 HydrophobicContact CG2-CG 4.4Å; G310-K337 WeakPolarHBondContact O-CE 3.17Å; G310-K337 PolarHBondContact O-NZ 2.84Å; C328-K337 CarbonylContact C-O 3.58Å; C328-K337 VanDerWaalsContact CA-O 3.31Å; C328-K337 WeakPolarHBondContact CA-O 3.26Å; T329-K337 PolarHBondContact N-O 3.49Å; T329-K337 PolarHBondContact O-N 3.01Å; K337-W339 HydrophobicContact CB-CZ2 3.88Å; K337-W339 HydrophobicContact CD-CH2 4.41Å; K337-W339 HydrophobicContact CD-CZ2 3.9Å; K337-W339 VanDerWaalsContact O-CD1 3.27Å; K337-W339 PolarHBondContact O-NE1 2.81Å
338	I	98.5	Very high	98.1	Very high	8 Å²	8	24.5 Å²	24.5	4%	0.041	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126	174.4	-50.7	-62.7	0	0	0	108.5	T47 R48 K49 L51 W63 A326 C327 C328	T47-I338 CarbonylContact C-O 3.57Å; T47-I338 WeakPolarHBondContact CA-O 3.48Å; R48-I338 PolarHBondContact N-O 3.12Å; K49-I338 HydrophobicContact CB-CB 4.01Å; K49-I338 HydrophobicContact CB-CG1 4.01Å; K49-I338 PolarHBondContact N-O 2.86Å; K49-I338 PolarHBondContact O-N 2.98Å; L51-I338 HydrophobicContact CD1-CD1 4.42Å; W63-I338 HydrophobicContact CH2-CD1 3.88Å; W63-I338 HydrophobicContact CZ2-CD1 3.86Å; A326-I338 HydrophobicContact CB-CG2 3.79Å; C327-I338 CarbonylContact O-C 3.59Å; C327-I338 WeakPolarHBondContact O-CA 3.4Å; C328-I338 HydrophobicContact CB-CD1 3.58Å; C328-I338 WeakPolarHBondContact SG-CD1 3.19Å
339	W	98.4	Very high	98.1	Very high	7 Å²	7	26.6 Å²	26.6	3%	0.027	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.7	-174.8	-48.8	84.2	0	0	0	110.5	M45 K46 T47 L308 A326 C327 T329 K337	M45-W339 HydrophobicContact CB-CB 4.17Å; M45-W339 HydrophobicContact CE-CB 3.81Å; M45-W339 WeakPolarHBondContact CE-O 3.38Å; M45-W339 HydrophobicContact SD-CB 4.44Å; K46-W339 WeakPolarHBondContact O-CA 3.46Å; T47-W339 WeakPolarHBondContact OG1-CH2 3.3Å; T47-W339 WeakPolarHBondContact OG1-CZ3 3.21Å; L308-W339 HydrophobicContact CB-CD2 4.25Å; L308-W339 HydrophobicContact CB-CE3 4.12Å; L308-W339 HydrophobicContact CB-CH2 3.96Å; L308-W339 HydrophobicContact CB-CZ2 4.09Å; L308-W339 HydrophobicContact CB-CZ3 3.97Å; L308-W339 HydrophobicContact CD1-CB 4.37Å; L308-W339 HydrophobicContact CD1-CD2 3.96Å; L308-W339 HydrophobicContact CD1-CE3 4.41Å; L308-W339 HydrophobicContact CD1-CG 3.94Å; L308-W339 HydrophobicContact CD2-CD2 4.34Å; L308-W339 HydrophobicContact CD2-CE3 3.96Å; L308-W339 HydrophobicContact CD2-CZ3 4.38Å; L308-W339 HydrophobicContact CG-CD2 4.43Å; L308-W339 HydrophobicContact CG-CE3 4.41Å; A326-W339 WeakPolarHBondContact CA-O 3.3Å; C327-W339 HydrophobicContact CB-CB 4.43Å; C327-W339 PolarHBondContact N-O 2.73Å; C327-W339 PolarHBondContact O-N 2.93Å; T329-W339 PolarHBondContact OG1-NE1 3.4Å; K337-W339 HydrophobicContact CB-CZ2 3.88Å; K337-W339 HydrophobicContact CD-CH2 4.41Å; K337-W339 HydrophobicContact CD-CZ2 3.9Å; K337-W339 VanDerWaalsContact O-CD1 3.27Å; K337-W339 PolarHBondContact O-NE1 2.81Å
340	N	92.6	Very high	98	Very high	98 Å²	98	29 Å²	29	52%	0.524	14%	0.14	S	C	.	.			trans	-160.3	0	161	72.9	15.7	0	0	0	111.8	K46 R48 M325	K46-N340 PolarHBondContact N-O 2.66Å; K46-N340 PolarHBondContact O-N 3.19Å; R48-N340 WeakPolarHBondContact CD-OD1 3.46Å; R48-N340 WeakPolarHBondContact CG-OD1 3.43Å; R48-N340 PolarHBondContact NE-O 3.2Å; R48-N340 PolarHBondContact NE-OD1 2.98Å; R48-N340 PolarHBondContact NH2-O 3.29Å; M325-N340 WeakPolarHBondContact O-CB 3.32Å

Retrieved 340 of 340 residues in 314.1 ms (Link to these results)

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