A0A2J8S830_PONAB Loading...

Elongin-B

SIII, also known as elongin, is a general transcription elongation factor that increases the RNA polymerase II transcription elongation past template-encoded arresting sites. Subunit A is transcriptionally active and its transcription activity is strongly enhanced by binding to the dimeric complex of the SIII regulatory subunits B and C (elongin BC complex). In embryonic stem cells, the elongin BC complex is recruited by EPOP to Polycomb group (PcG) target genes in order generate genomic region that display both active and repressive chromatin properties, an important feature of pluripotent stem cells.

AlphaFold DB , UniProt , Accession A0A2J8S830, Species PONAB (Pongo abelii, Sumatran orangutan), Gene n/a, Length 118 aa.

						>A0A2J8S830_PONAB|A0A2J8S830
MDVFLMIRRHKTTIFTDAKESSTVFELKRIVEGILKRPPDEQRLYKDDQLLDDGKTLGECGFTSQTARPQAPATVGLAFRADDTFEALCIEPFSSPPELPDVMKPQDSGSSANEQAVQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	92.6	Very high	98	Very high	164 Å²	164	59 Å²	59	81%	0.808	27%	0.27	S	S	*	.				0	151.9	0	-70.3	-55.9	-173.4	0	0	108.5	K19 E20	M1-K19 WeakPolarHBondContact O-CA 3.29Å; M1-E20 PolarHBondContact O-N 3.36Å
2	D	97.9	Very high	98.1	Very high	64 Å²	64	59 Å²	59	34%	0.342	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	144.9	179.9	-60.1	-24.8	0	0	0	110.3	F4 A18 K19	D2-F4 HydrophobicContact CB-CE2 4.25Å; D2-A18 WeakPolarHBondContact CA-O 3.36Å; D2-K19 WeakPolarHBondContact OD1-CD 3.5Å; D2-K19 WeakPolarHBondContact OD1-CE 3.4Å; D2-K19 IonicContact OD1-NZ 2.65Å; D2-K19 PolarHBondContact OD1-NZ 3.37Å; D2-K19 IonicContact OD2-NZ 2.93Å
3	V	98.6	Very high	98.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.4	173.9	-65.6	0	0	0	0	109.2	L5 D17 A18 E20 L57 A67	V3-L5 HydrophobicContact CG2-CD1 4.46Å; V3-L5 HydrophobicContact CG2-CD2 4.37Å; V3-L5 HydrophobicContact CG2-CG 4.39Å; V3-D17 WeakPolarHBondContact O-CA 3.39Å; V3-A18 HydrophobicContact CG2-CB 4.35Å; V3-A18 WeakPolarHBondContact CG2-O 3.3Å; V3-A18 PolarHBondContact N-O 2.9Å; V3-A18 PolarHBondContact O-N 3.11Å; V3-E20 HydrophobicContact CG1-CB 4.03Å; V3-E20 HydrophobicContact CG1-CG 4.35Å; V3-L57 HydrophobicContact CG2-CD1 3.9Å; V3-A67 HydrophobicContact CB-CB 3.82Å; V3-A67 HydrophobicContact CG1-CB 4.22Å
4	F	98.8	Very high	98.2	Very high	66 Å²	66	54.6 Å²	54.6	29%	0.289	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.2	-177.1	-63.3	-96.3	0	0	0	109.4	D2 D17 A67 P69 P72 A73	D2-F4 HydrophobicContact CB-CE2 4.25Å; F4-D17 HydrophobicContact CD1-CB 4.04Å; F4-D17 HydrophobicContact CE1-CB 4.06Å; F4-A67 WeakPolarHBondContact CD2-O 3.5Å; F4-A67 PolarHBondContact N-O 2.85Å; F4-A67 WeakPolarHBondContact O-CB 3.36Å; F4-P69 HydrophobicContact CD1-CB 4.12Å; F4-P69 HydrophobicContact CD1-CG 4.24Å; F4-P69 HydrophobicContact CD2-CB 4.28Å; F4-P69 VanDerWaalsContact CD2-CD 3.44Å; F4-P69 HydrophobicContact CD2-CG 3.68Å; F4-P69 HydrophobicContact CE1-CB 4.18Å; F4-P69 HydrophobicContact CE1-CG 4.04Å; F4-P69 HydrophobicContact CE2-CB 4.37Å; F4-P69 HydrophobicContact CE2-CG 3.48Å; F4-P69 VanDerWaalsContact CE2-CG 3.48Å; F4-P69 HydrophobicContact CG-CB 4.18Å; F4-P69 HydrophobicContact CG-CG 4.08Å; F4-P69 HydrophobicContact CZ-CB 4.31Å; F4-P69 HydrophobicContact CZ-CG 3.67Å; F4-P72 HydrophobicContact CB-CB 4.1Å; F4-P72 CarbonylContact O-C 3.54Å; F4-P72 WeakPolarHBondContact O-CA 3.44Å; F4-P72 WeakPolarHBondContact O-CB 3.33Å; F4-A73 PolarHBondContact O-N 2.96Å
5	L	98.8	Very high	98.2	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.9	-166.4	-56.1	175.8	0	0	0	111.7	V3 F15 T16 L27 L57 F62 A67 A73 V75	V3-L5 HydrophobicContact CG2-CD1 4.46Å; V3-L5 HydrophobicContact CG2-CD2 4.37Å; V3-L5 HydrophobicContact CG2-CG 4.39Å; L5-F15 WeakPolarHBondContact O-CA 3.47Å; L5-T16 HydrophobicContact CB-CG2 4.49Å; L5-T16 PolarHBondContact N-O 2.87Å; L5-T16 PolarHBondContact O-N 3.03Å; L5-T16 VanDerWaalsContact O-N 3.16Å; L5-L27 HydrophobicContact CD1-CD1 3.88Å; L5-L27 HydrophobicContact CD1-CD2 3.77Å; L5-L57 HydrophobicContact CD1-CD1 4.1Å; L5-F62 HydrophobicContact CD2-CB 4.39Å; L5-F62 HydrophobicContact CD2-CD1 4.03Å; L5-F62 HydrophobicContact CD2-CG 4.23Å; L5-A67 HydrophobicContact CD2-CB 4.37Å; L5-A73 CarbonylContact C-O 3.53Å; L5-A73 WeakPolarHBondContact CA-O 3.17Å; L5-A73 HydrophobicContact CD2-CB 4.17Å; L5-V75 HydrophobicContact CB-CG2 4.39Å; L5-V75 HydrophobicContact CD1-CG2 4.24Å; L5-V75 HydrophobicContact CD2-CG2 4.07Å; L5-V75 HydrophobicContact CG-CG2 4.47Å
6	M	98.8	Very high	98.2	Very high	28 Å²	28	58.6 Å²	58.6	14%	0.138	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	103.5	162.6	-73.1	-175.4	-63.4	0	0	108.4	R8 T13 I14 F15 P72 A73 T74 V75	M6-R8 HydrophobicContact CB-CG 4.11Å; M6-T13 HydrophobicContact CB-CG2 4.15Å; M6-T13 HydrophobicContact CG-CG2 4.2Å; M6-T13 HydrophobicContact SD-CG2 4.42Å; M6-I14 CarbonylContact C-O 3.51Å; M6-I14 WeakPolarHBondContact CA-O 3.28Å; M6-F15 HydrophobicContact CG-CD1 3.82Å; M6-F15 HydrophobicContact CG-CE1 3.39Å; M6-F15 HydrophobicContact CG-CE2 4.31Å; M6-F15 HydrophobicContact CG-CG 4.44Å; M6-F15 HydrophobicContact CG-CZ 3.67Å; M6-F15 HydrophobicContact SD-CE1 3.6Å; M6-F15 VanDerWaalsContact SD-CE1 3.6Å; M6-F15 HydrophobicContact SD-CE2 4.41Å; M6-F15 HydrophobicContact SD-CZ 3.49Å; M6-F15 WeakPolarHBondContact SD-CZ 3.3Å; M6-P72 HydrophobicContact CE-CG 4.02Å; M6-P72 WeakPolarHBondContact CE-O 3.19Å; M6-P72 HydrophobicContact CG-CB 4.08Å; M6-P72 HydrophobicContact CG-CG 3.7Å; M6-P72 HydrophobicContact SD-CG 3.98Å; M6-A73 PolarHBondContact N-O 3.15Å; M6-T74 WeakPolarHBondContact O-CA 3.46Å; M6-V75 PolarHBondContact O-N 3.14Å
7	I	98.9	Very high	98.3	Very high	3 Å²	3	60 Å²	60	2%	0.015	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	117.1	173.6	-50.3	176.5	0	0	0	107.9	T13 I14 T16 L27 V31 V75 L77	I7-T13 CarbonylContact O-C 3.56Å; I7-T13 WeakPolarHBondContact O-CA 3.45Å; I7-I14 HydrophobicContact CB-CB 4.3Å; I7-I14 PolarHBondContact N-O 2.9Å; I7-I14 PolarHBondContact O-N 3.2Å; I7-T16 HydrophobicContact CD1-CG2 3.98Å; I7-T16 HydrophobicContact CG1-CG2 4.43Å; I7-L27 HydrophobicContact CD1-CD1 3.86Å; I7-L27 HydrophobicContact CD1-CG 4.16Å; I7-V31 HydrophobicContact CD1-CG2 3.53Å; I7-V31 HydrophobicContact CG2-CG2 4.07Å; I7-V75 CarbonylContact C-O 3.46Å; I7-V75 WeakPolarHBondContact CA-O 3.2Å; I7-V75 HydrophobicContact CG1-CB 4.31Å; I7-L77 HydrophobicContact CG2-CB 3.91Å; I7-L77 HydrophobicContact CG2-CD2 4.14Å
8	R	98.8	Very high	98.3	Very high	25 Å²	25	57.2 Å²	57.2	9%	0.094	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134.4	-168.3	-56.1	-169.2	71.7	-141.3	-10.1	112.4	M6 T12 T13 T74 V75 L77 I90 E91 F93	M6-R8 HydrophobicContact CB-CG 4.11Å; R8-T12 WeakPolarHBondContact CA-O 2.98Å; R8-T13 HydrophobicContact CG-CG2 4.02Å; R8-T13 PolarHBondContact NE-OG1 2.79Å; R8-T13 VanDerWaalsContact NE-OG1 3.12Å; R8-T74 HydrophobicContact CB-CG2 4.44Å; R8-T74 HydrophobicContact CG-CG2 4.1Å; R8-V75 PolarHBondContact N-O 3.03Å; R8-L77 PolarHBondContact O-N 3.23Å; R8-I90 HydrophobicContact CB-CD1 4.29Å; R8-I90 HydrophobicContact CB-CG1 4.37Å; R8-I90 HydrophobicContact CB-CG2 4Å; R8-I90 VanDerWaalsContact CZ-CG2 3.45Å; R8-I90 VanDerWaalsContact NH1-CG2 3.3Å; R8-E91 PolarHBondContact NH2-O 3.22Å; R8-F93 VanDerWaalsContact NH2-CE1 3.29Å
9	R	98.6	Very high	98.3	Very high	55 Å²	55	59.6 Å²	59.6	21%	0.208	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	126.6	177.3	170.5	177.4	179.5	-80.1	-7.4	109.3	K11 T12 L77 E86	R9-K11 PolarHBondContact O-N 3.1Å; R9-K11 VanDerWaalsContact O-N 3.13Å; R9-T12 PolarHBondContact N-O 3.02Å; R9-T12 WeakPolarHBondContact O-CA 3.27Å; R9-T12 VanDerWaalsContact O-CB 3.28Å; R9-T12 WeakPolarHBondContact O-CB 3.15Å; R9-T12 PolarHBondContact O-N 2.81Å; R9-L77 HydrophobicContact CB-CB 4.04Å; R9-L77 HydrophobicContact CB-CD2 4.22Å; R9-L77 HydrophobicContact CB-CG 4.2Å; R9-L77 VanDerWaalsContact CB-O 3.31Å; R9-L77 WeakPolarHBondContact CB-O 3.49Å; R9-L77 WeakPolarHBondContact CG-O 3.49Å; R9-E86 IonicContact CZ-OE1 3.63Å; R9-E86 VanDerWaalsContact CZ-OE1 3.25Å; R9-E86 IonicContact CZ-OE2 3.96Å; R9-E86 IonicContact NE-OE1 2.71Å; R9-E86 PolarHBondContact NE-OE1 2.85Å; R9-E86 IonicContact NE-OE2 3Å; R9-E86 VanDerWaalsContact NH2-CD 3.32Å; R9-E86 IonicContact NH2-OE1 2.61Å; R9-E86 PolarHBondContact NH2-OE1 2.99Å; R9-E86 IonicContact NH2-OE2 3.25Å; R9-E86 PolarHBondContact NH2-OE2 3.16Å
10	H	98.2	Very high	98.3	Very high	64 Å²	64	59.2 Å²	59.2	30%	0.296	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	47.5	-119.4	-174	-66.3	-85.5	0	0	0	109.7	E86 C89 E91	H10-E86 IonicContact CD2-OE2 3.89Å; H10-E86 IonicContact NE2-OE1 2.65Å; H10-E86 IonicContact NE2-OE2 2.83Å; H10-E86 PolarHBondContact NE2-OE2 2.78Å; H10-C89 PolarHBondContact N-O 3.12Å; H10-E91 WeakPolarHBondContact O-CB 3.5Å; H10-E91 PolarHBondContact O-N 2.99Å
11	K	98.4	Very high	98.3	Very high	179 Å²	179	60.6 Å²	60.6	78%	0.778	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	1.8	174.8	-63.5	-174	176.7	179.1	0	114.4	R9 E91	R9-K11 PolarHBondContact O-N 3.1Å; R9-K11 VanDerWaalsContact O-N 3.13Å; K11-E91 HydrophobicContact CG-CB 3.98Å; K11-E91 HydrophobicContact CG-CG 3.75Å
12	T	98.6	Very high	98.6	Very high	59 Å²	59	54 Å²	54	36%	0.362	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	135.7	178.8	-56.1	0	0	0	0	110.3	R8 R9 I14 L35	R8-T12 WeakPolarHBondContact CA-O 2.98Å; R9-T12 PolarHBondContact N-O 3.02Å; R9-T12 WeakPolarHBondContact O-CA 3.27Å; R9-T12 VanDerWaalsContact O-CB 3.28Å; R9-T12 WeakPolarHBondContact O-CB 3.15Å; R9-T12 PolarHBondContact O-N 2.81Å; T12-I14 HydrophobicContact CG2-CG1 4.4Å; T12-L35 HydrophobicContact CG2-CD2 4.46Å
13	T	98.8	Very high	98.7	Very high	38 Å²	38	52.6 Å²	52.6	23%	0.233	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	123	171.2	-64.8	0	0	0	0	108.9	M6 I7 R8 F15 F93	M6-T13 HydrophobicContact CB-CG2 4.15Å; M6-T13 HydrophobicContact CG-CG2 4.2Å; M6-T13 HydrophobicContact SD-CG2 4.42Å; I7-T13 CarbonylContact O-C 3.56Å; I7-T13 WeakPolarHBondContact O-CA 3.45Å; R8-T13 HydrophobicContact CG-CG2 4.02Å; R8-T13 PolarHBondContact NE-OG1 2.79Å; R8-T13 VanDerWaalsContact NE-OG1 3.12Å; T13-F15 HydrophobicContact CG2-CD2 4.14Å; T13-F15 HydrophobicContact CG2-CE2 3.68Å; T13-F15 HydrophobicContact CG2-CZ 4.3Å; T13-F93 HydrophobicContact CG2-CZ 4.42Å
14	I	98.8	Very high	98.7	Very high	18 Å²	18	52.7 Å²	52.7	9%	0.092	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.5	176.8	-61.4	167	0	0	0	108	M6 I7 T12 I34 L35	M6-I14 CarbonylContact C-O 3.51Å; M6-I14 WeakPolarHBondContact CA-O 3.28Å; I7-I14 HydrophobicContact CB-CB 4.3Å; I7-I14 PolarHBondContact N-O 2.9Å; I7-I14 PolarHBondContact O-N 3.2Å; T12-I14 HydrophobicContact CG2-CG1 4.4Å; I14-I34 HydrophobicContact CD1-CB 4.3Å; I14-I34 HydrophobicContact CD1-CD1 4.28Å; I14-I34 HydrophobicContact CD1-CG2 3.84Å; I14-I34 HydrophobicContact CG1-CG2 4.39Å; I14-I34 HydrophobicContact CG2-CD1 3.63Å; I14-L35 HydrophobicContact CD1-CD1 3.81Å; I14-L35 HydrophobicContact CD1-CD2 4.18Å; I14-L35 HydrophobicContact CD1-CG 3.84Å
15	F	98.7	Very high	98.7	Very high	140 Å²	140	53.4 Å²	53.4	61%	0.614	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	125.1	168.9	-73.1	-98.1	0	0	0	109.2	L5 M6 T13 P72	L5-F15 WeakPolarHBondContact O-CA 3.47Å; M6-F15 HydrophobicContact CG-CD1 3.82Å; M6-F15 HydrophobicContact CG-CE1 3.39Å; M6-F15 HydrophobicContact CG-CE2 4.31Å; M6-F15 HydrophobicContact CG-CG 4.44Å; M6-F15 HydrophobicContact CG-CZ 3.67Å; M6-F15 HydrophobicContact SD-CE1 3.6Å; M6-F15 VanDerWaalsContact SD-CE1 3.6Å; M6-F15 HydrophobicContact SD-CE2 4.41Å; M6-F15 HydrophobicContact SD-CZ 3.49Å; M6-F15 WeakPolarHBondContact SD-CZ 3.3Å; T13-F15 HydrophobicContact CG2-CD2 4.14Å; T13-F15 HydrophobicContact CG2-CE2 3.68Å; T13-F15 HydrophobicContact CG2-CZ 4.3Å; F15-P72 HydrophobicContact CD1-CG 4.16Å; F15-P72 HydrophobicContact CE1-CG 3.76Å
16	T	98.7	Very high	98.7	Very high	33 Å²	33	57.8 Å²	57.8	20%	0.202	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	162	178.1	-165.9	0	0	0	0	109.8	L5 I7 I30	L5-T16 HydrophobicContact CB-CG2 4.49Å; L5-T16 PolarHBondContact N-O 2.87Å; L5-T16 PolarHBondContact O-N 3.03Å; L5-T16 VanDerWaalsContact O-N 3.16Å; I7-T16 HydrophobicContact CD1-CG2 3.98Å; I7-T16 HydrophobicContact CG1-CG2 4.43Å; T16-I30 HydrophobicContact CG2-CG2 4.46Å
17	D	98.5	Very high	98.7	Very high	83 Å²	83	56.6 Å²	56.6	44%	0.444	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	156.1	169	64.2	-82.8	0	0	0	110.9	V3 F4	V3-D17 WeakPolarHBondContact O-CA 3.39Å; F4-D17 HydrophobicContact CD1-CB 4.04Å; F4-D17 HydrophobicContact CE1-CB 4.06Å
18	A	98.5	Very high	98.7	Very high	9 Å²	9	57 Å²	57	7%	0.074	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	168.5	173.8	0	0	0	0	0	109.7	D2 V3 L57	D2-A18 WeakPolarHBondContact CA-O 3.36Å; V3-A18 HydrophobicContact CG2-CB 4.35Å; V3-A18 WeakPolarHBondContact CG2-O 3.3Å; V3-A18 PolarHBondContact N-O 2.9Å; V3-A18 PolarHBondContact O-N 3.11Å; A18-L57 HydrophobicContact CB-CD1 3.58Å
19	K	98.6	Very high	98.7	Very high	103 Å²	103	61.4 Å²	61.4	45%	0.448	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	140	170.3	-56.6	-56.3	178.7	-173.9	0	109.1	M1 D2 S21 S22	M1-K19 WeakPolarHBondContact O-CA 3.29Å; D2-K19 WeakPolarHBondContact OD1-CD 3.5Å; D2-K19 WeakPolarHBondContact OD1-CE 3.4Å; D2-K19 IonicContact OD1-NZ 2.65Å; D2-K19 PolarHBondContact OD1-NZ 3.37Å; D2-K19 IonicContact OD2-NZ 2.93Å; K19-S21 PolarHBondContact O-N 3.07Å; K19-S21 VanDerWaalsContact O-N 3.13Å; K19-S22 VanDerWaalsContact O-CB 3.24Å; K19-S22 WeakPolarHBondContact O-CB 3.48Å; K19-S22 PolarHBondContact O-N 3.19Å
20	E	98.4	Very high	98.7	Very high	51 Å²	51	61.5 Å²	61.5	24%	0.238	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-30.2	171.6	-172.2	169.4	148.7	0	0	112.1	M1 V3 L57 G58 S64	M1-E20 PolarHBondContact O-N 3.36Å; V3-E20 HydrophobicContact CG1-CB 4.03Å; V3-E20 HydrophobicContact CG1-CG 4.35Å; E20-L57 PolarHBondContact O-N 3.44Å; E20-G58 PolarHBondContact O-N 2.97Å; E20-S64 PolarHBondContact OE2-N 2.68Å
21	S	98.6	Very high	98.7	Very high	89 Å²	89	58.5 Å²	58.5	62%	0.622	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-7.7	175.7	59.5	0	0	0	0	114.5	K19 T56	K19-S21 PolarHBondContact O-N 3.07Å; K19-S21 VanDerWaalsContact O-N 3.13Å; S21-T56 WeakPolarHBondContact O-CG2 3.38Å
22	S	98.8	Very high	98.7	Very high	25 Å²	25	52.5 Å²	52.5	18%	0.175	27%	0.266	C	S	.	.	S	Bend	trans	-69.2	151.2	175.8	-75.3	0	0	0	0	110.3	K19 E26 T56 L57	K19-S22 VanDerWaalsContact O-CB 3.24Å; K19-S22 WeakPolarHBondContact O-CB 3.48Å; K19-S22 PolarHBondContact O-N 3.19Å; S22-E26 WeakPolarHBondContact CA-OE2 3.41Å; S22-E26 WeakPolarHBondContact CB-OE2 3.47Å; S22-E26 PolarHBondContact OG-OE2 2.72Å; S22-T56 CarbonylContact O-C 3.59Å; S22-T56 WeakPolarHBondContact O-CA 3.38Å; S22-L57 WeakPolarHBondContact O-CG 3.43Å; S22-L57 PolarHBondContact O-N 2.97Å
23	T	98.9	Very high	98.7	Very high	36 Å²	36	51.7 Å²	51.7	22%	0.221	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-85.1	160.4	-179.6	63	0	0	0	0	112.2	F25 E26 L27 K55	T23-F25 PolarHBondContact O-N 2.92Å; T23-E26 PolarHBondContact N-OE2 3.19Å; T23-E26 PolarHBondContact O-N 2.99Å; T23-E26 VanDerWaalsContact OG1-CG 3.3Å; T23-E26 WeakPolarHBondContact OG1-CG 3.43Å; T23-E26 PolarHBondContact OG1-N 3.19Å; T23-L27 PolarHBondContact O-N 3.17Å; T23-K55 CarbonylContact C-O 3.55Å; T23-K55 VanDerWaalsContact CA-O 3.29Å; T23-K55 WeakPolarHBondContact CA-O 3.49Å
24	V	98.9	Very high	98.7	Very high	1 Å²	1	54 Å²	54	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-58.5	-37.2	170.6	171.8	0	0	0	0	110.7	L27 K28 L44 L51 D52 K55 L57	V24-L27 WeakPolarHBondContact O-CB 3.23Å; V24-L27 PolarHBondContact O-N 3.2Å; V24-K28 PolarHBondContact O-N 3.37Å; V24-L44 HydrophobicContact CG1-CB 4.25Å; V24-L44 HydrophobicContact CG1-CD1 4.06Å; V24-L51 HydrophobicContact CG1-CB 3.9Å; V24-L51 HydrophobicContact CG2-CB 3.92Å; V24-L51 HydrophobicContact CG2-CD1 4.24Å; V24-D52 VanDerWaalsContact CB-O 3.3Å; V24-D52 WeakPolarHBondContact CB-O 3.31Å; V24-D52 WeakPolarHBondContact CG2-O 3.35Å; V24-K55 WeakPolarHBondContact CG2-O 3.42Å; V24-K55 PolarHBondContact N-O 2.78Å; V24-L57 HydrophobicContact CG2-CD2 4.43Å
25	F	98.9	Very high	98.7	Very high	82 Å²	82	55.7 Å²	55.7	36%	0.36	29%	0.288	S	S	.	.	H	α-helix	trans	-62.1	-42.5	174.6	-174.6	-98.4	0	0	0	113.1	T23 L27 K28 R29 P39 D53	T23-F25 PolarHBondContact O-N 2.92Å; F25-L27 VanDerWaalsContact C-N 3.31Å; F25-L27 PolarHBondContact O-N 3.24Å; F25-K28 WeakPolarHBondContact O-CB 3.41Å; F25-K28 PolarHBondContact O-N 2.65Å; F25-R29 HydrophobicContact CD1-CG 4.48Å; F25-R29 HydrophobicContact CE1-CG 4.26Å; F25-R29 PolarHBondContact O-N 2.83Å; F25-R29 VanDerWaalsContact O-N 3.1Å; F25-P39 HydrophobicContact CD2-CB 4.2Å; F25-P39 HydrophobicContact CE2-CB 3.83Å; F25-P39 HydrophobicContact CE2-CG 4.26Å; F25-P39 HydrophobicContact CZ-CG 4.47Å; F25-D53 HydrophobicContact CB-CB 4.1Å; F25-D53 HydrophobicContact CD2-CB 4.47Å; F25-D53 PolarHBondContact N-O 3.2Å
26	E	98.8	Very high	98.6	Very high	93 Å²	93	56.7 Å²	56.7	44%	0.435	29%	0.292	S	S	.	.	H	α-helix	trans	-63.2	-38.4	174.8	-72.4	169.9	158.2	0	0	111.4	S22 T23 K28 R29 I30	S22-E26 WeakPolarHBondContact CA-OE2 3.41Å; S22-E26 WeakPolarHBondContact CB-OE2 3.47Å; S22-E26 PolarHBondContact OG-OE2 2.72Å; T23-E26 PolarHBondContact N-OE2 3.19Å; T23-E26 PolarHBondContact O-N 2.99Å; T23-E26 VanDerWaalsContact OG1-CG 3.3Å; T23-E26 WeakPolarHBondContact OG1-CG 3.43Å; T23-E26 PolarHBondContact OG1-N 3.19Å; E26-K28 VanDerWaalsContact C-N 3.32Å; E26-K28 PolarHBondContact O-N 2.71Å; E26-R29 WeakPolarHBondContact O-CB 3.23Å; E26-R29 PolarHBondContact O-N 2.83Å; E26-R29 VanDerWaalsContact O-N 3.09Å; E26-I30 PolarHBondContact O-N 3.2Å; E26-I30 VanDerWaalsContact O-N 3.14Å
27	L	98.9	Very high	98.6	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-63	-38.5	174	-170.7	61.4	0	0	0	111.8	L5 I7 T23 V24 F25 R29 I30 V31 L44 L57 V75	L5-L27 HydrophobicContact CD1-CD1 3.88Å; L5-L27 HydrophobicContact CD1-CD2 3.77Å; I7-L27 HydrophobicContact CD1-CD1 3.86Å; I7-L27 HydrophobicContact CD1-CG 4.16Å; T23-L27 PolarHBondContact O-N 3.17Å; V24-L27 WeakPolarHBondContact O-CB 3.23Å; V24-L27 PolarHBondContact O-N 3.2Å; F25-L27 VanDerWaalsContact C-N 3.31Å; F25-L27 PolarHBondContact O-N 3.24Å; L27-R29 VanDerWaalsContact C-N 3.28Å; L27-R29 PolarHBondContact O-N 2.91Å; L27-I30 HydrophobicContact CD1-CD1 4.12Å; L27-I30 WeakPolarHBondContact O-CB 3.27Å; L27-I30 PolarHBondContact O-N 3.47Å; L27-I30 VanDerWaalsContact O-N 3.16Å; L27-V31 PolarHBondContact O-N 3.1Å; L27-L44 HydrophobicContact CB-CD1 4.08Å; L27-L44 HydrophobicContact CD2-CD1 3.9Å; L27-L44 HydrophobicContact CG-CD1 3.98Å; L27-L57 HydrophobicContact CB-CD2 4.4Å; L27-L57 HydrophobicContact CD2-CD2 3.74Å; L27-V75 HydrophobicContact CD2-CG1 4.35Å; L27-V75 HydrophobicContact CD2-CG2 4.31Å
28	K	98.9	Very high	98.6	Very high	13 Å²	13	57.1 Å²	57.1	6%	0.057	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-32.3	172.2	-69.2	177.1	171.7	-176.1	0	112.8	V24 F25 E26 V31 E32 P39 Q42 L44 D53	V24-K28 PolarHBondContact O-N 3.37Å; F25-K28 WeakPolarHBondContact O-CB 3.41Å; F25-K28 PolarHBondContact O-N 2.65Å; E26-K28 VanDerWaalsContact C-N 3.32Å; E26-K28 PolarHBondContact O-N 2.71Å; K28-V31 PolarHBondContact O-N 3.11Å; K28-E32 WeakPolarHBondContact O-CB 3.3Å; K28-E32 PolarHBondContact O-N 2.97Å; K28-P39 HydrophobicContact CB-CB 3.75Å; K28-P39 HydrophobicContact CB-CG 4.09Å; K28-P39 HydrophobicContact CD-CB 3.94Å; K28-P39 WeakPolarHBondContact CD-O 3.21Å; K28-P39 PolarHBondContact NZ-O 3.38Å; K28-Q42 HydrophobicContact CD-CB 4.12Å; K28-Q42 WeakPolarHBondContact CE-O 3.16Å; K28-Q42 HydrophobicContact CG-CB 4.13Å; K28-Q42 PolarHBondContact NZ-O 3Å; K28-Q42 PolarHBondContact O-NE2 3.44Å; K28-Q42 PolarHBondContact O-OE1 3.16Å; K28-L44 HydrophobicContact CG-CD1 3.65Å; K28-L44 HydrophobicContact CG-CG 3.9Å; K28-D53 WeakPolarHBondContact CD-OD1 3.16Å; K28-D53 WeakPolarHBondContact CE-OD1 3.36Å; K28-D53 IonicContact NZ-OD1 2.68Å; K28-D53 PolarHBondContact NZ-OD1 3.47Å; K28-D53 IonicContact NZ-OD2 2.97Å; K28-D53 PolarHBondContact NZ-OD2 2.98Å
29	R	98.8	Very high	98.6	Very high	116 Å²	116	56.8 Å²	56.8	44%	0.438	29%	0.286	S	S	.	.	H	α-helix	trans	-67.5	-35.4	173.4	-68	-69.3	177.4	-172	-7.5	112.3	F25 E26 L27 E32 G33 P39	F25-R29 HydrophobicContact CD1-CG 4.48Å; F25-R29 HydrophobicContact CE1-CG 4.26Å; F25-R29 PolarHBondContact O-N 2.83Å; F25-R29 VanDerWaalsContact O-N 3.1Å; E26-R29 WeakPolarHBondContact O-CB 3.23Å; E26-R29 PolarHBondContact O-N 2.83Å; E26-R29 VanDerWaalsContact O-N 3.09Å; L27-R29 VanDerWaalsContact C-N 3.28Å; L27-R29 PolarHBondContact O-N 2.91Å; R29-E32 WeakPolarHBondContact CD-OE2 3.41Å; R29-E32 IonicContact CZ-OE2 3.11Å; R29-E32 IonicContact NE-OE2 3.96Å; R29-E32 VanDerWaalsContact NH1-CD 3.29Å; R29-E32 IonicContact NH1-OE1 3.75Å; R29-E32 PolarHBondContact NH1-OE1 2.83Å; R29-E32 VanDerWaalsContact NH1-OE1 3.11Å; R29-E32 IonicContact NH1-OE2 3.03Å; R29-E32 PolarHBondContact NH1-OE2 3Å; R29-E32 WeakPolarHBondContact O-CB 3.37Å; R29-E32 PolarHBondContact O-N 3.15Å; R29-G33 PolarHBondContact O-N 2.65Å; R29-P39 HydrophobicContact CG-CG 4.21Å
30	I	98.7	Very high	98.6	Very high	58 Å²	58	56.4 Å²	56.4	30%	0.297	29%	0.289	S	S	.	.	H	α-helix	trans	-62.3	-46.7	171	-63.5	170.8	0	0	0	109.8	T16 E26 L27 E32 G33 I34	T16-I30 HydrophobicContact CG2-CG2 4.46Å; E26-I30 PolarHBondContact O-N 3.2Å; E26-I30 VanDerWaalsContact O-N 3.14Å; L27-I30 HydrophobicContact CD1-CD1 4.12Å; L27-I30 WeakPolarHBondContact O-CB 3.27Å; L27-I30 PolarHBondContact O-N 3.47Å; L27-I30 VanDerWaalsContact O-N 3.16Å; I30-E32 VanDerWaalsContact C-N 3.35Å; I30-E32 PolarHBondContact O-N 3.23Å; I30-G33 PolarHBondContact O-N 2.85Å; I30-I34 HydrophobicContact CG2-CD1 4.16Å; I30-I34 WeakPolarHBondContact O-CG1 3.45Å; I30-I34 PolarHBondContact O-N 2.89Å
31	V	98.7	Very high	98.6	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.9	-41.9	176.1	175	0	0	0	0	111.7	I7 L27 K28 G33 I34 L35 Q42 L77 F79	I7-V31 HydrophobicContact CD1-CG2 3.53Å; I7-V31 HydrophobicContact CG2-CG2 4.07Å; L27-V31 PolarHBondContact O-N 3.1Å; K28-V31 PolarHBondContact O-N 3.11Å; V31-G33 VanDerWaalsContact C-N 3.32Å; V31-G33 PolarHBondContact O-N 3.18Å; V31-I34 PolarHBondContact O-N 3.06Å; V31-I34 VanDerWaalsContact O-N 3.13Å; V31-L35 HydrophobicContact CG1-CB 4.43Å; V31-L35 HydrophobicContact CG1-CD1 4.07Å; V31-L35 HydrophobicContact CG1-CG 4.44Å; V31-L35 PolarHBondContact O-N 3.31Å; V31-Q42 VanDerWaalsContact CB-OE1 3.26Å; V31-Q42 VanDerWaalsContact CG1-OE1 3.27Å; V31-L77 HydrophobicContact CG1-CD1 4.34Å; V31-L77 HydrophobicContact CG1-CD2 3.74Å; V31-F79 HydrophobicContact CG1-CE1 4.35Å
32	E	98.8	Very high	98.6	Very high	53 Å²	53	51.9 Å²	51.9	25%	0.248	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-44.2	174.6	177.9	-175.7	-130.9	0	0	111.1	K28 R29 I30 I34 K36 R37 P38	K28-E32 WeakPolarHBondContact O-CB 3.3Å; K28-E32 PolarHBondContact O-N 2.97Å; R29-E32 WeakPolarHBondContact CD-OE2 3.41Å; R29-E32 IonicContact CZ-OE2 3.11Å; R29-E32 IonicContact NE-OE2 3.96Å; R29-E32 VanDerWaalsContact NH1-CD 3.29Å; R29-E32 IonicContact NH1-OE1 3.75Å; R29-E32 PolarHBondContact NH1-OE1 2.83Å; R29-E32 VanDerWaalsContact NH1-OE1 3.11Å; R29-E32 IonicContact NH1-OE2 3.03Å; R29-E32 PolarHBondContact NH1-OE2 3Å; R29-E32 WeakPolarHBondContact O-CB 3.37Å; R29-E32 PolarHBondContact O-N 3.15Å; I30-E32 VanDerWaalsContact C-N 3.35Å; I30-E32 PolarHBondContact O-N 3.23Å; E32-I34 PolarHBondContact O-N 3.03Å; E32-K36 WeakPolarHBondContact O-CA 3.41Å; E32-K36 PolarHBondContact O-N 2.84Å; E32-R37 VanDerWaalsContact CA-O 3.27Å; E32-R37 WeakPolarHBondContact CA-O 3.18Å; E32-R37 VanDerWaalsContact CB-O 3.23Å; E32-R37 WeakPolarHBondContact CB-O 3.41Å; E32-R37 WeakPolarHBondContact CG-O 3.39Å; E32-P38 WeakPolarHBondContact OE1-CA 3.46Å
33	G	98.6	Very high	98.6	Very high	43 Å²	43	55.1 Å²	55.1	44%	0.443	27%	0.266	S	S	.	.	H	α-helix	trans	-56.9	-32.5	176.3	0	0	0	0	0	113.5	R29 I30 V31 K36	R29-G33 PolarHBondContact O-N 2.65Å; I30-G33 PolarHBondContact O-N 2.85Å; V31-G33 VanDerWaalsContact C-N 3.32Å; V31-G33 PolarHBondContact O-N 3.18Å; G33-K36 WeakPolarHBondContact O-CE 3.44Å; G33-K36 PolarHBondContact O-NZ 3.45Å
34	I	98.4	Very high	98.6	Very high	87 Å²	87	53.5 Å²	53.5	45%	0.446	26%	0.256	S	S	.	.	H	α-helix	trans	-95.1	-53.5	-175.6	-60.5	168.3	0	0	0	111.6	I14 I30 V31 E32	I14-I34 HydrophobicContact CD1-CB 4.3Å; I14-I34 HydrophobicContact CD1-CD1 4.28Å; I14-I34 HydrophobicContact CD1-CG2 3.84Å; I14-I34 HydrophobicContact CG1-CG2 4.39Å; I14-I34 HydrophobicContact CG2-CD1 3.63Å; I30-I34 HydrophobicContact CG2-CD1 4.16Å; I30-I34 WeakPolarHBondContact O-CG1 3.45Å; I30-I34 PolarHBondContact O-N 2.89Å; V31-I34 PolarHBondContact O-N 3.06Å; V31-I34 VanDerWaalsContact O-N 3.13Å; E32-I34 PolarHBondContact O-N 3.03Å
35	L	97.8	Very high	98.6	Very high	53 Å²	53	54.6 Å²	54.6	28%	0.277	26%	0.261	S	S	.	.	H	α-helix	trans	-97.3	-2.5	-172.1	-60.3	-176.5	0	0	0	113.8	T12 I14 V31 R37 L77 F79	T12-L35 HydrophobicContact CG2-CD2 4.46Å; I14-L35 HydrophobicContact CD1-CD1 3.81Å; I14-L35 HydrophobicContact CD1-CD2 4.18Å; I14-L35 HydrophobicContact CD1-CG 3.84Å; V31-L35 HydrophobicContact CG1-CB 4.43Å; V31-L35 HydrophobicContact CG1-CD1 4.07Å; V31-L35 HydrophobicContact CG1-CG 4.44Å; V31-L35 PolarHBondContact O-N 3.31Å; L35-R37 PolarHBondContact O-N 2.98Å; L35-L77 HydrophobicContact CD1-CD2 3.81Å; L35-F79 HydrophobicContact CB-CZ 3.96Å; L35-F79 HydrophobicContact CD1-CE2 4.21Å; L35-F79 HydrophobicContact CD1-CZ 3.64Å; L35-F79 HydrophobicContact CG-CZ 4.46Å
36	K	98	Very high	98.6	Very high	160 Å²	160	53.5 Å²	53.5	70%	0.696	26%	0.255	S	S	*	.			trans	59.1	32.4	174.3	-47.2	-54.6	-176.3	-173.7	0	113.9	E32 G33	E32-K36 WeakPolarHBondContact O-CA 3.41Å; E32-K36 PolarHBondContact O-N 2.84Å; G33-K36 WeakPolarHBondContact O-CE 3.44Å; G33-K36 PolarHBondContact O-NZ 3.45Å
37	R	98.3	Very high	98.4	Very high	87 Å²	87	54.6 Å²	54.6	33%	0.328	26%	0.264	S	S	.	.			trans	-112.4	127.6	172.9	-61.5	-58.7	-64.1	-149	-10.3	109.3	E32 L35 E41 Q42 F79 R80	E32-R37 VanDerWaalsContact CA-O 3.27Å; E32-R37 WeakPolarHBondContact CA-O 3.18Å; E32-R37 VanDerWaalsContact CB-O 3.23Å; E32-R37 WeakPolarHBondContact CB-O 3.41Å; E32-R37 WeakPolarHBondContact CG-O 3.39Å; L35-R37 PolarHBondContact O-N 2.98Å; R37-E41 IonicContact CZ-OE2 2.83Å; R37-E41 IonicContact NE-OE2 3.82Å; R37-E41 PolarHBondContact NE-OE2 3.39Å; R37-E41 IonicContact NH1-OE2 2.71Å; R37-E41 IonicContact NH2-OE2 3.62Å; R37-E41 PolarHBondContact NH2-OE2 2.82Å; R37-Q42 PolarHBondContact O-NE2 3.38Å; R37-F79 HydrophobicContact CB-CD1 4.09Å; R37-F79 HydrophobicContact CB-CE1 3.67Å; R37-F79 HydrophobicContact CB-CZ 3.93Å; R37-F79 HydrophobicContact CG-CD1 4.12Å; R37-F79 HydrophobicContact CG-CD2 4.09Å; R37-F79 HydrophobicContact CG-CE1 3.77Å; R37-F79 HydrophobicContact CG-CE2 3.75Å; R37-F79 HydrophobicContact CG-CG 4.28Å; R37-F79 HydrophobicContact CG-CZ 3.57Å; R37-R80 PolarHBondContact NH2-O 3.06Å
38	P	98.3	Very high	98.3	Very high	38 Å²	38	61.7 Å²	61.7	25%	0.247	30%	0.302	C	S	.	.			trans	-69.2	155.1	-177.9	31.4	-37.9	0	0	0	112.1	E32 D40 E41 Q42	E32-P38 WeakPolarHBondContact OE1-CA 3.46Å; P38-D40 VanDerWaalsContact C-N 3.28Å; P38-D40 VanDerWaalsContact CB-OD1 3.28Å; P38-D40 WeakPolarHBondContact CB-OD1 3.39Å; P38-D40 WeakPolarHBondContact CG-OD1 3.47Å; P38-D40 PolarHBondContact O-N 2.89Å; P38-E41 WeakPolarHBondContact CD-OE2 3.24Å; P38-E41 HydrophobicContact CG-CB 4.25Å; P38-E41 HydrophobicContact CG-CG 3.85Å; P38-E41 WeakPolarHBondContact O-CB 3.16Å; P38-E41 PolarHBondContact O-N 3.09Å; P38-Q42 WeakPolarHBondContact O-CG 3.43Å
39	P	98.6	Very high	98.2	Very high	3 Å²	3	67 Å²	67	2%	0.019	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-58.4	-29.4	-173.3	-30.4	37.7	0	0	0	116.7	F25 K28 R29 E41 Q42	F25-P39 HydrophobicContact CD2-CB 4.2Å; F25-P39 HydrophobicContact CE2-CB 3.83Å; F25-P39 HydrophobicContact CE2-CG 4.26Å; F25-P39 HydrophobicContact CZ-CG 4.47Å; K28-P39 HydrophobicContact CB-CB 3.75Å; K28-P39 HydrophobicContact CB-CG 4.09Å; K28-P39 HydrophobicContact CD-CB 3.94Å; K28-P39 WeakPolarHBondContact CD-O 3.21Å; K28-P39 PolarHBondContact NZ-O 3.38Å; R29-P39 HydrophobicContact CG-CG 4.21Å; P39-E41 PolarHBondContact O-N 2.94Å; P39-Q42 PolarHBondContact O-N 3.3Å; P39-Q42 VanDerWaalsContact O-N 3.11Å
40	D	98	Very high	98.2	Very high	94 Å²	94	65.6 Å²	65.6	50%	0.503	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-70.9	-16.4	177.5	67.4	-57.3	0	0	0	112.5	P38 R80 F85	P38-D40 VanDerWaalsContact C-N 3.28Å; P38-D40 VanDerWaalsContact CB-OD1 3.28Å; P38-D40 WeakPolarHBondContact CB-OD1 3.39Å; P38-D40 WeakPolarHBondContact CG-OD1 3.47Å; P38-D40 PolarHBondContact O-N 2.89Å; D40-R80 IonicContact OD2-NH2 3.1Å; D40-R80 PolarHBondContact OD2-NH2 2.88Å; D40-R80 VanDerWaalsContact OD2-NH2 3.1Å; D40-F85 WeakPolarHBondContact O-CZ 3.47Å
41	E	98.5	Very high	98.2	Very high	44 Å²	44	63.5 Å²	63.5	21%	0.206	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-97.1	9.4	172.3	-63.8	179.8	-178.4	0	0	112.7	R37 P38 P39 F79 R80	R37-E41 IonicContact CZ-OE2 2.83Å; R37-E41 IonicContact NE-OE2 3.82Å; R37-E41 PolarHBondContact NE-OE2 3.39Å; R37-E41 IonicContact NH1-OE2 2.71Å; R37-E41 IonicContact NH2-OE2 3.62Å; R37-E41 PolarHBondContact NH2-OE2 2.82Å; P38-E41 WeakPolarHBondContact CD-OE2 3.24Å; P38-E41 HydrophobicContact CG-CB 4.25Å; P38-E41 HydrophobicContact CG-CG 3.85Å; P38-E41 WeakPolarHBondContact O-CB 3.16Å; P38-E41 PolarHBondContact O-N 3.09Å; P39-E41 PolarHBondContact O-N 2.94Å; E41-F79 CarbonylContact O-C 3.52Å; E41-F79 VanDerWaalsContact O-CA 3.27Å; E41-F79 WeakPolarHBondContact O-CA 3.08Å; E41-R80 HydrophobicContact CB-CB 4.02Å; E41-R80 HydrophobicContact CG-CB 4.28Å; E41-R80 PolarHBondContact O-N 3.13Å
42	Q	98.8	Very high	98.2	Very high	1 Å²	1	68.2 Å²	68.2	1%	0.005	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.2	-178.9	-55.2	-180	32	0	0	111.8	K28 V31 R37 P38 P39 L77 F79	K28-Q42 HydrophobicContact CD-CB 4.12Å; K28-Q42 WeakPolarHBondContact CE-O 3.16Å; K28-Q42 HydrophobicContact CG-CB 4.13Å; K28-Q42 PolarHBondContact NZ-O 3Å; K28-Q42 PolarHBondContact O-NE2 3.44Å; K28-Q42 PolarHBondContact O-OE1 3.16Å; V31-Q42 VanDerWaalsContact CB-OE1 3.26Å; V31-Q42 VanDerWaalsContact CG1-OE1 3.27Å; R37-Q42 PolarHBondContact O-NE2 3.38Å; P38-Q42 WeakPolarHBondContact O-CG 3.43Å; P39-Q42 PolarHBondContact O-N 3.3Å; P39-Q42 VanDerWaalsContact O-N 3.11Å; Q42-L77 HydrophobicContact CB-CD1 4.05Å; Q42-L77 HydrophobicContact CG-CD1 4.31Å; Q42-F79 HydrophobicContact CG-CD1 4.05Å; Q42-F79 HydrophobicContact CG-CE1 3.88Å
43	R	98.8	Very high	98.2	Very high	94 Å²	94	68.2 Å²	68.2	36%	0.355	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.9	162	-77.6	177.3	-180	175.3	-1	109.3	Y45 L50 L77 A78 F85	R43-Y45 HydrophobicContact CB-CD2 4.41Å; R43-Y45 HydrophobicContact CB-CE2 3.51Å; R43-Y45 VanDerWaalsContact CD-OH 3.3Å; R43-Y45 WeakPolarHBondContact CD-OH 3.41Å; R43-L50 HydrophobicContact CB-CD1 3.7Å; R43-L50 HydrophobicContact CG-CD1 3.74Å; R43-L77 WeakPolarHBondContact O-CA 3.5Å; R43-A78 PolarHBondContact N-O 2.79Å; R43-A78 PolarHBondContact O-N 2.97Å; R43-F85 HydrophobicContact CB-CD1 4.23Å; R43-F85 HydrophobicContact CB-CE1 4.29Å; R43-F85 HydrophobicContact CG-CD1 3.64Å; R43-F85 HydrophobicContact CG-CE1 3.56Å; R43-F85 HydrophobicContact CG-CE2 4.48Å; R43-F85 HydrophobicContact CG-CG 4.14Å; R43-F85 HydrophobicContact CG-CZ 3.99Å; R43-F85 VanDerWaalsContact NE-CD2 3.29Å
44	L	98.9	Very high	98.2	Very high	1 Å²	1	69 Å²	69	1%	0.005	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	142.2	174.7	-61.6	-174.7	0	0	0	109.8	V24 L27 K28 L51 V75 G76 L77	V24-L44 HydrophobicContact CG1-CB 4.25Å; V24-L44 HydrophobicContact CG1-CD1 4.06Å; L27-L44 HydrophobicContact CB-CD1 4.08Å; L27-L44 HydrophobicContact CD2-CD1 3.9Å; L27-L44 HydrophobicContact CG-CD1 3.98Å; K28-L44 HydrophobicContact CG-CD1 3.65Å; K28-L44 HydrophobicContact CG-CG 3.9Å; L44-L51 HydrophobicContact CB-CD1 4.16Å; L44-L51 WeakPolarHBondContact O-CB 3.26Å; L44-L51 WeakPolarHBondContact O-CG 3.41Å; L44-L51 PolarHBondContact O-N 3.07Å; L44-V75 HydrophobicContact CB-CG1 4.05Å; L44-V75 HydrophobicContact CD1-CG1 4.43Å; L44-V75 HydrophobicContact CD2-CG1 4.1Å; L44-V75 HydrophobicContact CG-CG1 4.42Å; L44-G76 CarbonylContact C-O 3.49Å; L44-G76 VanDerWaalsContact CA-O 3.26Å; L44-G76 WeakPolarHBondContact CA-O 3.44Å; L44-L77 HydrophobicContact CD2-CB 4.13Å; L44-L77 HydrophobicContact CD2-CD1 3.63Å; L44-L77 HydrophobicContact CD2-CG 4.46Å
45	Y	98.9	Very high	98.2	Very high	25 Å²	25	69.1 Å²	69.1	10%	0.098	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.4	-176.3	-60.5	-99	0	0	0	110.8	R43 Q49 L50 V75 G76 A78 L88	R43-Y45 HydrophobicContact CB-CD2 4.41Å; R43-Y45 HydrophobicContact CB-CE2 3.51Å; R43-Y45 VanDerWaalsContact CD-OH 3.3Å; R43-Y45 WeakPolarHBondContact CD-OH 3.41Å; Y45-Q49 CarbonylContact C-O 3.6Å; Y45-Q49 VanDerWaalsContact CA-O 3.23Å; Y45-Q49 WeakPolarHBondContact CA-O 3.4Å; Y45-L50 HydrophobicContact CD1-CB 4.13Å; Y45-L50 HydrophobicContact CD1-CD1 4.32Å; Y45-L50 HydrophobicContact CE1-CB 3.87Å; Y45-L50 HydrophobicContact CE1-CD1 3.83Å; Y45-L50 HydrophobicContact CE1-CG 4.44Å; Y45-L50 HydrophobicContact CE2-CD1 4.32Å; Y45-V75 CarbonylContact O-C 3.5Å; Y45-V75 WeakPolarHBondContact O-CA 3.43Å; Y45-G76 PolarHBondContact N-O 3.23Å; Y45-G76 PolarHBondContact O-N 3.49Å; Y45-A78 HydrophobicContact CE2-CB 3.92Å; Y45-L88 HydrophobicContact CD1-CD2 4.23Å; Y45-L88 HydrophobicContact CD2-CD1 3.87Å; Y45-L88 HydrophobicContact CD2-CD2 4.17Å; Y45-L88 HydrophobicContact CD2-CG 4.41Å; Y45-L88 HydrophobicContact CE2-CB 4.35Å; Y45-L88 HydrophobicContact CE2-CD1 4.32Å; Y45-L88 HydrophobicContact CG-CD1 4.39Å; Y45-L88 HydrophobicContact CG-CD2 3.87Å
46	K	98.4	Very high	98.2	Very high	58 Å²	58	68.3 Å²	68.3	25%	0.252	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.6	158.9	-175.8	-179.3	171.5	-63.8	0	107.2	D48 Q49 L51 C60 F62	K46-D48 PolarHBondContact O-N 3.07Å; K46-Q49 PolarHBondContact N-O 3.29Å; K46-Q49 WeakPolarHBondContact O-CB 3.01Å; K46-Q49 PolarHBondContact O-N 2.84Å; K46-L51 HydrophobicContact CB-CD2 3.9Å; K46-C60 WeakPolarHBondContact CD-O 3.44Å; K46-F62 HydrophobicContact CB-CE1 4.4Å; K46-F62 HydrophobicContact CB-CE2 4.29Å; K46-F62 HydrophobicContact CB-CZ 3.67Å; K46-F62 HydrophobicContact CD-CE1 4.02Å; K46-F62 HydrophobicContact CD-CE2 4.39Å; K46-F62 HydrophobicContact CD-CZ 3.9Å; K46-F62 HydrophobicContact CG-CE1 3.97Å; K46-F62 HydrophobicContact CG-CZ 3.73Å
47	D	96.2	Very high	98.3	Very high	116 Å²	116	60.7 Å²	60.7	62%	0.62	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	-124.5	-168.6	-47.3	-55.4	0	0	0	108.6
48	D	95.1	Very high	98.3	Very high	151 Å²	151	57.5 Å²	57.5	81%	0.807	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	0.3	174.7	-61.2	-48	0	0	0	113.8	K46	K46-D48 PolarHBondContact O-N 3.07Å
49	Q	98.2	Very high	98.3	Very high	124 Å²	124	61.9 Å²	61.9	58%	0.579	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	118.7	-175.2	-174.1	175.4	7.8	0	0	111.5	Y45 K46 L51	Y45-Q49 CarbonylContact C-O 3.6Å; Y45-Q49 VanDerWaalsContact CA-O 3.23Å; Y45-Q49 WeakPolarHBondContact CA-O 3.4Å; K46-Q49 PolarHBondContact N-O 3.29Å; K46-Q49 WeakPolarHBondContact O-CB 3.01Å; K46-Q49 PolarHBondContact O-N 2.84Å; Q49-L51 PolarHBondContact O-N 2.86Å
50	L	98.5	Very high	98.3	Very high	87 Å²	87	62.5 Å²	62.5	46%	0.455	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	130.8	171.2	-179.1	64.4	0	0	0	110.5	R43 Y45	R43-L50 HydrophobicContact CB-CD1 3.7Å; R43-L50 HydrophobicContact CG-CD1 3.74Å; Y45-L50 HydrophobicContact CD1-CB 4.13Å; Y45-L50 HydrophobicContact CD1-CD1 4.32Å; Y45-L50 HydrophobicContact CE1-CB 3.87Å; Y45-L50 HydrophobicContact CE1-CD1 3.83Å; Y45-L50 HydrophobicContact CE1-CG 4.44Å; Y45-L50 HydrophobicContact CE2-CD1 4.32Å
51	L	98.8	Very high	98.3	Very high	15 Å²	15	59.6 Å²	59.6	8%	0.079	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-89.7	144.3	-179.9	-56	-178	0	0	0	111.7	V24 L44 K46 Q49 C60 F62	V24-L51 HydrophobicContact CG1-CB 3.9Å; V24-L51 HydrophobicContact CG2-CB 3.92Å; V24-L51 HydrophobicContact CG2-CD1 4.24Å; L44-L51 HydrophobicContact CB-CD1 4.16Å; L44-L51 WeakPolarHBondContact O-CB 3.26Å; L44-L51 WeakPolarHBondContact O-CG 3.41Å; L44-L51 PolarHBondContact O-N 3.07Å; K46-L51 HydrophobicContact CB-CD2 3.9Å; Q49-L51 PolarHBondContact O-N 2.86Å; L51-C60 HydrophobicContact CD1-CB 4.49Å; L51-C60 HydrophobicContact CD2-CB 3.95Å; L51-F62 HydrophobicContact CD1-CE2 3.79Å; L51-F62 HydrophobicContact CD1-CZ 4.31Å
52	D	98.6	Very high	98.3	Very high	98 Å²	98	57.7 Å²	57.7	52%	0.524	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-89.1	131.1	176.6	-173	-38.4	0	0	0	109.9	V24 G54 K55	V24-D52 VanDerWaalsContact CB-O 3.3Å; V24-D52 WeakPolarHBondContact CB-O 3.31Å; V24-D52 WeakPolarHBondContact CG2-O 3.35Å; D52-G54 PolarHBondContact O-N 3.13Å; D52-G54 PolarHBondContact OD1-N 2.87Å; D52-K55 HydrophobicContact CB-CD 4.13Å; D52-K55 HydrophobicContact CB-CG 4.06Å; D52-K55 PolarHBondContact O-N 3.26Å; D52-K55 VanDerWaalsContact O-N 3.07Å
53	D	98.6	Very high	98.3	Very high	54 Å²	54	59.3 Å²	59.3	29%	0.289	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-30.1	-178.1	-79.2	-7.6	0	0	0	113.6	F25 K28	F25-D53 HydrophobicContact CB-CB 4.1Å; F25-D53 HydrophobicContact CD2-CB 4.47Å; F25-D53 PolarHBondContact N-O 3.2Å; K28-D53 WeakPolarHBondContact CD-OD1 3.16Å; K28-D53 WeakPolarHBondContact CE-OD1 3.36Å; K28-D53 IonicContact NZ-OD1 2.68Å; K28-D53 PolarHBondContact NZ-OD1 3.47Å; K28-D53 IonicContact NZ-OD2 2.97Å; K28-D53 PolarHBondContact NZ-OD2 2.98Å
54	G	98.4	Very high	98.2	Very high	59 Å²	59	57 Å²	57	61%	0.608	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-15.1	179.6	0	0	0	0	0	114.6	D52	D52-G54 PolarHBondContact O-N 3.13Å; D52-G54 PolarHBondContact OD1-N 2.87Å
55	K	98.7	Very high	98.1	Very high	90 Å²	90	64.6 Å²	64.6	39%	0.391	36%	0.357	S	S	.	.	S	Bend	trans	-80.5	146.4	-179.5	-73.3	-175.6	179.3	-176.2	0	111.6	T23 V24 D52 E59	T23-K55 CarbonylContact C-O 3.55Å; T23-K55 VanDerWaalsContact CA-O 3.29Å; T23-K55 WeakPolarHBondContact CA-O 3.49Å; V24-K55 WeakPolarHBondContact CG2-O 3.42Å; V24-K55 PolarHBondContact N-O 2.78Å; D52-K55 HydrophobicContact CB-CD 4.13Å; D52-K55 HydrophobicContact CB-CG 4.06Å; D52-K55 PolarHBondContact O-N 3.26Å; D52-K55 VanDerWaalsContact O-N 3.07Å; K55-E59 WeakPolarHBondContact CA-OE2 3.34Å; K55-E59 HydrophobicContact CB-CB 4.36Å
56	T	98.8	Very high	98	Very high	36 Å²	36	67.3 Å²	67.3	22%	0.221	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-72.3	157.7	167.7	63.8	0	0	0	0	111.1	S21 S22 G58 E59 C60	S21-T56 WeakPolarHBondContact O-CG2 3.38Å; S22-T56 CarbonylContact O-C 3.59Å; S22-T56 WeakPolarHBondContact O-CA 3.38Å; T56-G58 PolarHBondContact O-N 3.13Å; T56-E59 PolarHBondContact N-OE2 3.44Å; T56-E59 PolarHBondContact O-N 3.17Å; T56-E59 WeakPolarHBondContact OG1-CB 3.49Å; T56-E59 VanDerWaalsContact OG1-CD 3.29Å; T56-E59 WeakPolarHBondContact OG1-CG 3.49Å; T56-E59 PolarHBondContact OG1-N 3.37Å; T56-E59 VanDerWaalsContact OG1-N 3.15Å; T56-E59 PolarHBondContact OG1-OE2 3.14Å; T56-C60 PolarHBondContact O-N 2.73Å; T56-C60 PolarHBondContact O-SG 3.06Å
57	L	98.8	Very high	98	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-37.9	174.5	-64.2	-179.3	0	0	0	111.4	V3 L5 A18 E20 S22 V24 L27 C60 G61 F62	V3-L57 HydrophobicContact CG2-CD1 3.9Å; L5-L57 HydrophobicContact CD1-CD1 4.1Å; A18-L57 HydrophobicContact CB-CD1 3.58Å; E20-L57 PolarHBondContact O-N 3.44Å; S22-L57 WeakPolarHBondContact O-CG 3.43Å; S22-L57 PolarHBondContact O-N 2.97Å; V24-L57 HydrophobicContact CG2-CD2 4.43Å; L27-L57 HydrophobicContact CB-CD2 4.4Å; L27-L57 HydrophobicContact CD2-CD2 3.74Å; L57-C60 CarbonylContact O-C 3.58Å; L57-C60 WeakPolarHBondContact O-CB 3.07Å; L57-C60 PolarHBondContact O-N 2.91Å; L57-G61 PolarHBondContact O-N 2.78Å; L57-F62 CarbonylContact C-O 3.55Å; L57-F62 HydrophobicContact CB-CB 4.17Å; L57-F62 HydrophobicContact CB-CD2 4.26Å; L57-F62 HydrophobicContact CD2-CD2 4.11Å; L57-F62 WeakPolarHBondContact O-CB 3.42Å; L57-F62 WeakPolarHBondContact O-CD2 3.37Å; L57-F62 PolarHBondContact O-N 3.5Å
58	G	98.6	Very high	98.1	Very high	19 Å²	19	64.5 Å²	64.5	20%	0.196	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-45.9	173.3	0	0	0	0	0	113.3	E20 T56 C60 G61 F62	E20-G58 PolarHBondContact O-N 2.97Å; T56-G58 PolarHBondContact O-N 3.13Å; G58-C60 PolarHBondContact O-N 3.25Å; G58-G61 WeakPolarHBondContact O-CA 3.28Å; G58-G61 PolarHBondContact O-N 2.85Å; G58-F62 WeakPolarHBondContact CA-O 3.38Å; G58-F62 PolarHBondContact N-O 3.22Å
59	E	98.6	Very high	98.2	Very high	130 Å²	130	61.3 Å²	61.3	61%	0.607	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.9	175	-73.4	165.5	152.4	0	0	112.9	K55 T56	K55-E59 WeakPolarHBondContact CA-OE2 3.34Å; K55-E59 HydrophobicContact CB-CB 4.36Å; T56-E59 PolarHBondContact N-OE2 3.44Å; T56-E59 PolarHBondContact O-N 3.17Å; T56-E59 WeakPolarHBondContact OG1-CB 3.49Å; T56-E59 VanDerWaalsContact OG1-CD 3.29Å; T56-E59 WeakPolarHBondContact OG1-CG 3.49Å; T56-E59 PolarHBondContact OG1-N 3.37Å; T56-E59 VanDerWaalsContact OG1-N 3.15Å; T56-E59 PolarHBondContact OG1-OE2 3.14Å
60	C	98.5	Very high	98.2	Very high	17 Å²	17	62 Å²	62	12%	0.115	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-3.5	171.7	-60.6	0	0	0	0	112.7	K46 L51 T56 L57 G58 F62	K46-C60 WeakPolarHBondContact CD-O 3.44Å; L51-C60 HydrophobicContact CD1-CB 4.49Å; L51-C60 HydrophobicContact CD2-CB 3.95Å; T56-C60 PolarHBondContact O-N 2.73Å; T56-C60 PolarHBondContact O-SG 3.06Å; L57-C60 CarbonylContact O-C 3.58Å; L57-C60 WeakPolarHBondContact O-CB 3.07Å; L57-C60 PolarHBondContact O-N 2.91Å; G58-C60 PolarHBondContact O-N 3.25Å; C60-F62 HydrophobicContact CB-CD2 3.88Å; C60-F62 HydrophobicContact CB-CE2 3.92Å
61	G	97.9	Very high	98.2	Very high	33 Å²	33	59.8 Å²	59.8	34%	0.34	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	9.7	178.6	0	0	0	0	0	114.9	L57 G58 T63 T66	L57-G61 PolarHBondContact O-N 2.78Å; G58-G61 WeakPolarHBondContact O-CA 3.28Å; G58-G61 PolarHBondContact O-N 2.85Å; G61-T63 PolarHBondContact O-N 2.89Å; G61-T66 PolarHBondContact O-OG1 3.39Å
62	F	98.5	Very high	98.2	Very high	3 Å²	3	60.1 Å²	60.1	1%	0.013	34%	0.343	C	S	.	.			trans	-87.7	104.3	169.2	-54.1	-69	0	0	0	109	L5 K46 L51 L57 G58 C60 A73 V75	L5-F62 HydrophobicContact CD2-CB 4.39Å; L5-F62 HydrophobicContact CD2-CD1 4.03Å; L5-F62 HydrophobicContact CD2-CG 4.23Å; K46-F62 HydrophobicContact CB-CE1 4.4Å; K46-F62 HydrophobicContact CB-CE2 4.29Å; K46-F62 HydrophobicContact CB-CZ 3.67Å; K46-F62 HydrophobicContact CD-CE1 4.02Å; K46-F62 HydrophobicContact CD-CE2 4.39Å; K46-F62 HydrophobicContact CD-CZ 3.9Å; K46-F62 HydrophobicContact CG-CE1 3.97Å; K46-F62 HydrophobicContact CG-CZ 3.73Å; L51-F62 HydrophobicContact CD1-CE2 3.79Å; L51-F62 HydrophobicContact CD1-CZ 4.31Å; L57-F62 CarbonylContact C-O 3.55Å; L57-F62 HydrophobicContact CB-CB 4.17Å; L57-F62 HydrophobicContact CB-CD2 4.26Å; L57-F62 HydrophobicContact CD2-CD2 4.11Å; L57-F62 WeakPolarHBondContact O-CB 3.42Å; L57-F62 WeakPolarHBondContact O-CD2 3.37Å; L57-F62 PolarHBondContact O-N 3.5Å; G58-F62 WeakPolarHBondContact CA-O 3.38Å; G58-F62 PolarHBondContact N-O 3.22Å; C60-F62 HydrophobicContact CB-CD2 3.88Å; C60-F62 HydrophobicContact CB-CE2 3.92Å; F62-A73 HydrophobicContact CD1-CB 3.65Å; F62-A73 HydrophobicContact CE1-CB 4.04Å; F62-V75 HydrophobicContact CE1-CG2 3.94Å; F62-V75 HydrophobicContact CE2-CG2 4.24Å; F62-V75 HydrophobicContact CZ-CG2 3.7Å
63	T	98.4	Very high	98.2	Very high	35 Å²	35	56.3 Å²	56.3	22%	0.215	32%	0.324	C	S	.	.			trans	-121.3	159.5	-178.3	67	0	0	0	0	110.8	G61 Q65 T66 A67	G61-T63 PolarHBondContact O-N 2.89Å; T63-Q65 PolarHBondContact O-N 2.89Å; T63-T66 PolarHBondContact N-OG1 3.46Å; T63-T66 PolarHBondContact O-N 2.87Å; T63-T66 PolarHBondContact O-OG1 3.04Å; T63-T66 PolarHBondContact OG1-N 2.82Å; T63-T66 PolarHBondContact OG1-OG1 2.87Å; T63-A67 WeakPolarHBondContact O-CB 3.34Å; T63-A67 PolarHBondContact O-N 3.03Å
64	S	96.6	Very high	98.2	Very high	47 Å²	47	56.4 Å²	56.4	33%	0.329	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-23.4	176	49.5	0	0	0	0	114.7	E20 R68	E20-S64 PolarHBondContact OE2-N 2.68Å; S64-R68 WeakPolarHBondContact O-CG 3.46Å
65	Q	97.2	Very high	98.2	Very high	160 Å²	160	53.6 Å²	53.6	75%	0.748	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-30.8	177.4	-63	178.4	42.6	0	0	113.1	T63	T63-Q65 PolarHBondContact O-N 2.89Å
66	T	97.3	Very high	98.2	Very high	81 Å²	81	49.5 Å²	49.5	50%	0.497	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-26.3	-174.6	54.2	0	0	0	0	112.9	G61 T63	G61-T66 PolarHBondContact O-OG1 3.39Å; T63-T66 PolarHBondContact N-OG1 3.46Å; T63-T66 PolarHBondContact O-N 2.87Å; T63-T66 PolarHBondContact O-OG1 3.04Å; T63-T66 PolarHBondContact OG1-N 2.82Å; T63-T66 PolarHBondContact OG1-OG1 2.87Å
67	A	98.1	Very high	98.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	-114.2	70.9	-178.2	0	0	0	0	0	110.4	V3 F4 L5 T63 A73	V3-A67 HydrophobicContact CB-CB 3.82Å; V3-A67 HydrophobicContact CG1-CB 4.22Å; F4-A67 WeakPolarHBondContact CD2-O 3.5Å; F4-A67 PolarHBondContact N-O 2.85Å; F4-A67 WeakPolarHBondContact O-CB 3.36Å; L5-A67 HydrophobicContact CD2-CB 4.37Å; T63-A67 WeakPolarHBondContact O-CB 3.34Å; T63-A67 PolarHBondContact O-N 3.03Å; A67-A73 HydrophobicContact CB-CB 3.6Å
68	R	98.3	Very high	98.2	Very high	116 Å²	116	47.9 Å²	47.9	44%	0.438	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-90.9	156	-172.6	-67.9	177.7	-70.6	165.7	-0.9	111.7	S64 Q70 A71 P72	S64-R68 WeakPolarHBondContact O-CG 3.46Å; R68-Q70 VanDerWaalsContact C-N 3.29Å; R68-Q70 PolarHBondContact O-N 3.27Å; R68-A71 PolarHBondContact N-O 2.99Å; R68-A71 VanDerWaalsContact N-O 3.12Å; R68-A71 CarbonylContact O-C 2.95Å; R68-A71 PolarHBondContact O-N 2.61Å; R68-P72 VanDerWaalsContact O-CA 3.29Å; R68-P72 WeakPolarHBondContact O-CA 3.44Å
69	P	98.1	Very high	98.2	Very high	83 Å²	83	47.9 Å²	47.9	54%	0.539	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-43.9	178.8	-20	24.4	0	0	0	113.9	F4 A71	F4-P69 HydrophobicContact CD1-CB 4.12Å; F4-P69 HydrophobicContact CD1-CG 4.24Å; F4-P69 HydrophobicContact CD2-CB 4.28Å; F4-P69 VanDerWaalsContact CD2-CD 3.44Å; F4-P69 HydrophobicContact CD2-CG 3.68Å; F4-P69 HydrophobicContact CE1-CB 4.18Å; F4-P69 HydrophobicContact CE1-CG 4.04Å; F4-P69 HydrophobicContact CE2-CB 4.37Å; F4-P69 HydrophobicContact CE2-CG 3.48Å; F4-P69 VanDerWaalsContact CE2-CG 3.48Å; F4-P69 HydrophobicContact CG-CB 4.18Å; F4-P69 HydrophobicContact CG-CG 4.08Å; F4-P69 HydrophobicContact CZ-CB 4.31Å; F4-P69 HydrophobicContact CZ-CG 3.67Å; P69-A71 VanDerWaalsContact C-N 3.34Å
70	Q	97.5	Very high	98.2	Very high	140 Å²	140	44.9 Å²	44.9	65%	0.654	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-11.3	-179.7	72.4	-82.1	18.9	0	0	114	R68	R68-Q70 VanDerWaalsContact C-N 3.29Å; R68-Q70 PolarHBondContact O-N 3.27Å
71	A	98	Very high	97.8	Very high	39 Å²	39	46.5 Å²	46.5	32%	0.322	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-147.8	69.5	-179.2	0	0	0	0	0	108.9	R68 P69	R68-A71 PolarHBondContact N-O 2.99Å; R68-A71 VanDerWaalsContact N-O 3.12Å; R68-A71 CarbonylContact O-C 2.95Å; R68-A71 PolarHBondContact O-N 2.61Å; P69-A71 VanDerWaalsContact C-N 3.34Å
72	P	98.6	Very high	97.3	Very high	23 Å²	23	51.9 Å²	51.9	15%	0.149	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-68.2	148.6	-175.4	22.9	-29.6	0	0	0	111.2	F4 M6 F15 R68	F4-P72 HydrophobicContact CB-CB 4.1Å; F4-P72 CarbonylContact O-C 3.54Å; F4-P72 WeakPolarHBondContact O-CA 3.44Å; F4-P72 WeakPolarHBondContact O-CB 3.33Å; M6-P72 HydrophobicContact CE-CG 4.02Å; M6-P72 WeakPolarHBondContact CE-O 3.19Å; M6-P72 HydrophobicContact CG-CB 4.08Å; M6-P72 HydrophobicContact CG-CG 3.7Å; M6-P72 HydrophobicContact SD-CG 3.98Å; F15-P72 HydrophobicContact CD1-CG 4.16Å; F15-P72 HydrophobicContact CE1-CG 3.76Å; R68-P72 VanDerWaalsContact O-CA 3.29Å; R68-P72 WeakPolarHBondContact O-CA 3.44Å
73	A	98.6	Very high	97	Very high	17 Å²	17	58.9 Å²	58.9	14%	0.14	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	145.8	177.6	0	0	0	0	0	110.8	F4 L5 M6 F62 A67	F4-A73 PolarHBondContact O-N 2.96Å; L5-A73 CarbonylContact C-O 3.53Å; L5-A73 WeakPolarHBondContact CA-O 3.17Å; L5-A73 HydrophobicContact CD2-CB 4.17Å; M6-A73 PolarHBondContact N-O 3.15Å; F62-A73 HydrophobicContact CD1-CB 3.65Å; F62-A73 HydrophobicContact CE1-CB 4.04Å; A67-A73 HydrophobicContact CB-CB 3.6Å
74	T	98.8	Very high	96.9	Very high	56 Å²	56	61.9 Å²	61.9	34%	0.344	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133.5	179	-62.6	0	0	0	0	110.8	M6 R8	M6-T74 WeakPolarHBondContact O-CA 3.46Å; R8-T74 HydrophobicContact CB-CG2 4.44Å; R8-T74 HydrophobicContact CG-CG2 4.1Å
75	V	98.9	Very high	96.9	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.4	168.9	-176.6	0	0	0	0	107.7	L5 M6 I7 R8 L27 L44 Y45 F62	L5-V75 HydrophobicContact CB-CG2 4.39Å; L5-V75 HydrophobicContact CD1-CG2 4.24Å; L5-V75 HydrophobicContact CD2-CG2 4.07Å; L5-V75 HydrophobicContact CG-CG2 4.47Å; M6-V75 PolarHBondContact O-N 3.14Å; I7-V75 CarbonylContact C-O 3.46Å; I7-V75 WeakPolarHBondContact CA-O 3.2Å; I7-V75 HydrophobicContact CG1-CB 4.31Å; R8-V75 PolarHBondContact N-O 3.03Å; L27-V75 HydrophobicContact CD2-CG1 4.35Å; L27-V75 HydrophobicContact CD2-CG2 4.31Å; L44-V75 HydrophobicContact CB-CG1 4.05Å; L44-V75 HydrophobicContact CD1-CG1 4.43Å; L44-V75 HydrophobicContact CD2-CG1 4.1Å; L44-V75 HydrophobicContact CG-CG1 4.42Å; Y45-V75 CarbonylContact O-C 3.5Å; Y45-V75 WeakPolarHBondContact O-CA 3.43Å; F62-V75 HydrophobicContact CE1-CG2 3.94Å; F62-V75 HydrophobicContact CE2-CG2 4.24Å; F62-V75 HydrophobicContact CZ-CG2 3.7Å
76	G	98.8	Very high	96.9	Very high	4 Å²	4	56.6 Å²	56.6	4%	0.041	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	142	173.6	0	0	0	0	0	110.9	L44 Y45	L44-G76 CarbonylContact C-O 3.49Å; L44-G76 VanDerWaalsContact CA-O 3.26Å; L44-G76 WeakPolarHBondContact CA-O 3.44Å; Y45-G76 PolarHBondContact N-O 3.23Å; Y45-G76 PolarHBondContact O-N 3.49Å
77	L	98.8	Very high	96.9	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.9	177.1	168.9	68.8	0	0	0	110	I7 R8 R9 V31 L35 Q42 R43 L44 F79	I7-L77 HydrophobicContact CG2-CB 3.91Å; I7-L77 HydrophobicContact CG2-CD2 4.14Å; R8-L77 PolarHBondContact O-N 3.23Å; R9-L77 HydrophobicContact CB-CB 4.04Å; R9-L77 HydrophobicContact CB-CD2 4.22Å; R9-L77 HydrophobicContact CB-CG 4.2Å; R9-L77 VanDerWaalsContact CB-O 3.31Å; R9-L77 WeakPolarHBondContact CB-O 3.49Å; R9-L77 WeakPolarHBondContact CG-O 3.49Å; V31-L77 HydrophobicContact CG1-CD1 4.34Å; V31-L77 HydrophobicContact CG1-CD2 3.74Å; L35-L77 HydrophobicContact CD1-CD2 3.81Å; Q42-L77 HydrophobicContact CB-CD1 4.05Å; Q42-L77 HydrophobicContact CG-CD1 4.31Å; R43-L77 WeakPolarHBondContact O-CA 3.5Å; L44-L77 HydrophobicContact CD2-CB 4.13Å; L44-L77 HydrophobicContact CD2-CD1 3.63Å; L44-L77 HydrophobicContact CD2-CG 4.46Å; L77-F79 HydrophobicContact CD1-CD1 4.1Å; L77-F79 HydrophobicContact CD1-CE1 3.79Å; L77-F79 HydrophobicContact CD2-CE1 3.79Å; L77-F79 HydrophobicContact CD2-CZ 3.79Å; L77-F79 HydrophobicContact CG-CD1 4.42Å; L77-F79 HydrophobicContact CG-CE1 4.03Å; L77-F79 HydrophobicContact CG-CZ 4.41Å
78	A	98.6	Very high	96.9	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	140	169.6	0	0	0	0	0	109.9	R43 Y45 E86	R43-A78 PolarHBondContact N-O 2.79Å; R43-A78 PolarHBondContact O-N 2.97Å; Y45-A78 HydrophobicContact CE2-CB 3.92Å; A78-E86 HydrophobicContact CB-CG 3.97Å
79	F	98.4	Very high	96.9	Very high	20 Å²	20	55.6 Å²	55.6	9%	0.088	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	154.6	176.3	-68.8	-36.7	0	0	0	112.9	V31 L35 R37 E41 Q42 L77 E86	V31-F79 HydrophobicContact CG1-CE1 4.35Å; L35-F79 HydrophobicContact CB-CZ 3.96Å; L35-F79 HydrophobicContact CD1-CE2 4.21Å; L35-F79 HydrophobicContact CD1-CZ 3.64Å; L35-F79 HydrophobicContact CG-CZ 4.46Å; R37-F79 HydrophobicContact CB-CD1 4.09Å; R37-F79 HydrophobicContact CB-CE1 3.67Å; R37-F79 HydrophobicContact CB-CZ 3.93Å; R37-F79 HydrophobicContact CG-CD1 4.12Å; R37-F79 HydrophobicContact CG-CD2 4.09Å; R37-F79 HydrophobicContact CG-CE1 3.77Å; R37-F79 HydrophobicContact CG-CE2 3.75Å; R37-F79 HydrophobicContact CG-CG 4.28Å; R37-F79 HydrophobicContact CG-CZ 3.57Å; E41-F79 CarbonylContact O-C 3.52Å; E41-F79 VanDerWaalsContact O-CA 3.27Å; E41-F79 WeakPolarHBondContact O-CA 3.08Å; Q42-F79 HydrophobicContact CG-CD1 4.05Å; Q42-F79 HydrophobicContact CG-CE1 3.88Å; L77-F79 HydrophobicContact CD1-CD1 4.1Å; L77-F79 HydrophobicContact CD1-CE1 3.79Å; L77-F79 HydrophobicContact CD2-CE1 3.79Å; L77-F79 HydrophobicContact CD2-CZ 3.79Å; L77-F79 HydrophobicContact CG-CD1 4.42Å; L77-F79 HydrophobicContact CG-CE1 4.03Å; L77-F79 HydrophobicContact CG-CZ 4.41Å; F79-E86 PolarHBondContact N-OE1 2.84Å; F79-E86 WeakPolarHBondContact O-CG 3.29Å; F79-E86 PolarHBondContact O-N 2.94Å
80	R	97.6	Very high	96.9	Very high	67 Å²	67	54.4 Å²	54.4	25%	0.253	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	120.4	166.5	-169.6	157.9	61.9	98.4	-6.1	109.9	R37 D40 E41 D82 T84 F85	R37-R80 PolarHBondContact NH2-O 3.06Å; D40-R80 IonicContact OD2-NH2 3.1Å; D40-R80 PolarHBondContact OD2-NH2 2.88Å; D40-R80 VanDerWaalsContact OD2-NH2 3.1Å; E41-R80 HydrophobicContact CB-CB 4.02Å; E41-R80 HydrophobicContact CG-CB 4.28Å; E41-R80 PolarHBondContact O-N 3.13Å; R80-D82 WeakPolarHBondContact CG-O 3.49Å; R80-D82 PolarHBondContact NH1-O 2.9Å; R80-T84 CarbonylContact C-O 3.6Å; R80-F85 HydrophobicContact CB-CD1 3.95Å; R80-F85 HydrophobicContact CB-CD2 4.43Å; R80-F85 HydrophobicContact CB-CE1 3.77Å; R80-F85 HydrophobicContact CB-CE2 4.29Å; R80-F85 HydrophobicContact CB-CG 4.3Å; R80-F85 HydrophobicContact CB-CZ 3.97Å; R80-F85 HydrophobicContact CG-CD2 4.39Å; R80-F85 HydrophobicContact CG-CE2 4.32Å; R80-F85 HydrophobicContact CG-CZ 4.45Å
81	A	90.5	Very high	96.9	Very high	50 Å²	50	51.6 Å²	51.6	41%	0.413	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	110.7	169	0	0	0	0	0	107.5	D83 T84	A81-D83 PolarHBondContact O-N 2.84Å; A81-T84 CarbonylContact C-O 3.49Å; A81-T84 PolarHBondContact N-O 2.93Å; A81-T84 PolarHBondContact O-N 2.8Å; A81-T84 VanDerWaalsContact O-N 3.14Å
82	D	88.8	Confident	96.9	Very high	146 Å²	146	54.8 Å²	54.8	78%	0.781	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	-115.3	-174.2	-47.7	-43.4	0	0	0	111.9	R80	R80-D82 WeakPolarHBondContact CG-O 3.49Å; R80-D82 PolarHBondContact NH1-O 2.9Å
83	D	90.8	Very high	96.9	Very high	151 Å²	151	59.6 Å²	59.6	81%	0.807	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-6.7	-177.7	-67.1	-38.6	0	0	0	113.7	A81	A81-D83 PolarHBondContact O-N 2.84Å
84	T	96.1	Very high	96.9	Very high	98 Å²	98	64.2 Å²	64.2	60%	0.601	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.5	-173.7	64.2	0	0	0	0	112.6	R80 A81	R80-T84 CarbonylContact C-O 3.6Å; A81-T84 CarbonylContact C-O 3.49Å; A81-T84 PolarHBondContact N-O 2.93Å; A81-T84 PolarHBondContact O-N 2.8Å; A81-T84 VanDerWaalsContact O-N 3.14Å
85	F	97.5	Very high	96.8	Very high	52 Å²	52	66.7 Å²	66.7	23%	0.228	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	136.6	172.5	-77.5	-91.8	0	0	0	110.4	D40 R43 R80	D40-F85 WeakPolarHBondContact O-CZ 3.47Å; R43-F85 HydrophobicContact CB-CD1 4.23Å; R43-F85 HydrophobicContact CB-CE1 4.29Å; R43-F85 HydrophobicContact CG-CD1 3.64Å; R43-F85 HydrophobicContact CG-CE1 3.56Å; R43-F85 HydrophobicContact CG-CE2 4.48Å; R43-F85 HydrophobicContact CG-CG 4.14Å; R43-F85 HydrophobicContact CG-CZ 3.99Å; R43-F85 VanDerWaalsContact NE-CD2 3.29Å; R80-F85 HydrophobicContact CB-CD1 3.95Å; R80-F85 HydrophobicContact CB-CD2 4.43Å; R80-F85 HydrophobicContact CB-CE1 3.77Å; R80-F85 HydrophobicContact CB-CE2 4.29Å; R80-F85 HydrophobicContact CB-CG 4.3Å; R80-F85 HydrophobicContact CB-CZ 3.97Å; R80-F85 HydrophobicContact CG-CD2 4.39Å; R80-F85 HydrophobicContact CG-CE2 4.32Å; R80-F85 HydrophobicContact CG-CZ 4.45Å
86	E	97.1	Very high	96.7	Very high	44 Å²	44	72.2 Å²	72.2	21%	0.206	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-63	156	168.4	76.6	-170.2	158.5	0	0	110.2	R9 H10 A78 F79	R9-E86 IonicContact CZ-OE1 3.63Å; R9-E86 VanDerWaalsContact CZ-OE1 3.25Å; R9-E86 IonicContact CZ-OE2 3.96Å; R9-E86 IonicContact NE-OE1 2.71Å; R9-E86 PolarHBondContact NE-OE1 2.85Å; R9-E86 IonicContact NE-OE2 3Å; R9-E86 VanDerWaalsContact NH2-CD 3.32Å; R9-E86 IonicContact NH2-OE1 2.61Å; R9-E86 PolarHBondContact NH2-OE1 2.99Å; R9-E86 IonicContact NH2-OE2 3.25Å; R9-E86 PolarHBondContact NH2-OE2 3.16Å; H10-E86 IonicContact CD2-OE2 3.89Å; H10-E86 IonicContact NE2-OE1 2.65Å; H10-E86 IonicContact NE2-OE2 2.83Å; H10-E86 PolarHBondContact NE2-OE2 2.78Å; A78-E86 HydrophobicContact CB-CG 3.97Å; F79-E86 PolarHBondContact N-OE1 2.84Å; F79-E86 WeakPolarHBondContact O-CG 3.29Å; F79-E86 PolarHBondContact O-N 2.94Å
87	A	96.8	Very high	96.6	Very high	82 Å²	82	77.8 Å²	77.8	68%	0.678	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-64.8	146	171.6	0	0	0	0	0	110.4	C89	A87-C89 PolarHBondContact O-N 3.12Å
88	L	97.9	Very high	96.4	Very high	50 Å²	50	86.3 Å²	86.3	26%	0.262	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-58.9	116.2	171	178	64	0	0	0	109	Y45 I90	Y45-L88 HydrophobicContact CD1-CD2 4.23Å; Y45-L88 HydrophobicContact CD2-CD1 3.87Å; Y45-L88 HydrophobicContact CD2-CD2 4.17Å; Y45-L88 HydrophobicContact CD2-CG 4.41Å; Y45-L88 HydrophobicContact CE2-CB 4.35Å; Y45-L88 HydrophobicContact CE2-CD1 4.32Å; Y45-L88 HydrophobicContact CG-CD1 4.39Å; Y45-L88 HydrophobicContact CG-CD2 3.87Å; L88-I90 HydrophobicContact CD1-CD1 4.19Å; L88-I90 HydrophobicContact CD1-CG1 4.15Å
89	C	97.9	Very high	96.3	Very high	44 Å²	44	90.4 Å²	90.4	30%	0.297	52%	0.52	S	S	.	.			trans	-130.1	120.8	178.4	-177.5	0	0	0	0	108.7	H10 A87	H10-C89 PolarHBondContact N-O 3.12Å; A87-C89 PolarHBondContact O-N 3.12Å
90	I	98.4	Very high	96.2	Very high	57 Å²	57	92.8 Å²	92.8	29%	0.292	54%	0.537	S	S	.	.	B	Isolated β-bridge	trans	-128.3	115.1	176.5	-58.9	174.9	0	0	0	107	R8 L88	R8-I90 HydrophobicContact CB-CD1 4.29Å; R8-I90 HydrophobicContact CB-CG1 4.37Å; R8-I90 HydrophobicContact CB-CG2 4Å; R8-I90 VanDerWaalsContact CZ-CG2 3.45Å; R8-I90 VanDerWaalsContact NH1-CG2 3.3Å; L88-I90 HydrophobicContact CD1-CD1 4.19Å; L88-I90 HydrophobicContact CD1-CG1 4.15Å
91	E	98.4	Very high	96	Very high	81 Å²	81	95.5 Å²	95.5	38%	0.379	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-71.2	132.3	176.6	-69.7	-66.9	153.1	0	0	109.7	R8 H10 K11	R8-E91 PolarHBondContact NH2-O 3.22Å; H10-E91 WeakPolarHBondContact O-CB 3.5Å; H10-E91 PolarHBondContact O-N 2.99Å; K11-E91 HydrophobicContact CG-CB 3.98Å; K11-E91 HydrophobicContact CG-CG 3.75Å
92	P	98.1	Very high	96.2	Very high	106 Å²	106	99.5 Å²	99.5	69%	0.688	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-63.3	148.3	175.3	27.9	-33.7	0	0	0	110
93	F	97.9	Very high	96.5	Very high	124 Å²	124	98.4 Å²	98.4	54%	0.544	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-67.1	163.1	166.9	-63.9	-47.5	0	0	0	110.2	R8 T13	R8-F93 VanDerWaalsContact NH2-CE1 3.29Å; T13-F93 HydrophobicContact CG2-CZ 4.42Å
94	S	98	Very high	96.6	Very high	115 Å²	115	95.5 Å²	95.5	80%	0.804	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-59.2	143.5	173.9	53	0	0	0	0	111.3
95	S	97.8	Very high	96.4	Very high	108 Å²	108	96.5 Å²	96.5	76%	0.755	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-71.7	143.5	170.8	-53.5	0	0	0	0	110.9
96	P	96.9	Very high	95.6	Very high	116 Å²	116	102.3 Å²	102.3	75%	0.753	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-63.9	153.1	172.4	28.4	-34.4	0	0	0	110.9
97	P	95.9	Very high	94.4	Very high	121 Å²	121	108 Å²	108	79%	0.786	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-67.2	166.8	172.5	31.3	-35.8	0	0	0	111.1
98	E	95.7	Very high	92.6	Very high	180 Å²	180	110.3 Å²	110.3	84%	0.841	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-58.1	140.7	171.4	-69.7	-168.4	-179.3	0	0	111.3	P100	E98-P100 WeakPolarHBondContact O-CD 3.48Å
99	L	95.8	Very high	90.7	Very high	87 Å²	87	111 Å²	111	46%	0.455	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-67.3	124	178.7	-168.9	68.2	0	0	0	109.1	M103 K104	L99-M103 HydrophobicContact CD1-CB 3.76Å; L99-M103 HydrophobicContact CD1-CE 3.93Å; L99-M103 HydrophobicContact CD1-SD 4.07Å; L99-M103 HydrophobicContact CD2-CB 4.26Å; L99-M103 HydrophobicContact CG-CB 3.82Å; L99-K104 HydrophobicContact CD2-CG 4.13Å; L99-K104 HydrophobicContact CG-CG 4.46Å; L99-K104 WeakPolarHBondContact O-CE 3.15Å
100	P	95.5	Very high	88.4	Confident	69 Å²	69	114.7 Å²	114.7	45%	0.448	67%	0.672	S	S	.	*	P	Polyproline II helix	trans	-57.1	146.2	176.8	-25.2	34.5	0	0	0	111.8	E98 V102 M103 K104	E98-P100 WeakPolarHBondContact O-CD 3.48Å; P100-V102 HydrophobicContact CB-CG2 4.11Å; P100-V102 PolarHBondContact O-N 2.71Å; P100-V102 VanDerWaalsContact O-N 3.13Å; P100-M103 HydrophobicContact CG-SD 4.13Å; P100-M103 WeakPolarHBondContact O-CA 3.41Å; P100-M103 WeakPolarHBondContact O-CB 3.4Å; P100-M103 PolarHBondContact O-N 3.4Å; P100-K104 PolarHBondContact O-N 3.31Å
101	D	94.6	Very high	86.2	Confident	124 Å²	124	118.4 Å²	118.4	66%	0.663	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-56.8	-34.1	-177.1	-68.4	-30.5	0	0	0	113.1	M103 K104	D101-M103 PolarHBondContact O-N 3.15Å; D101-K104 PolarHBondContact O-N 3.22Å; D101-K104 VanDerWaalsContact O-N 3.15Å; D101-K104 WeakPolarHBondContact OD1-CE 3.5Å; D101-K104 IonicContact OD1-NZ 3.95Å; D101-K104 PolarHBondContact OD1-NZ 3.13Å
102	V	95.4	Very high	83.7	Confident	134 Å²	134	118.9 Å²	118.9	81%	0.812	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-66.7	-17	176.8	-61	0	0	0	0	114.2	P100	P100-V102 HydrophobicContact CB-CG2 4.11Å; P100-V102 PolarHBondContact O-N 2.71Å; P100-V102 VanDerWaalsContact O-N 3.13Å
103	M	94.1	Very high	81.4	Confident	124 Å²	124	120.9 Å²	120.9	61%	0.611	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-101.4	-10.1	176.8	-64.8	-178.9	69.9	0	0	112.5	L99 P100 D101	L99-M103 HydrophobicContact CD1-CB 3.76Å; L99-M103 HydrophobicContact CD1-CE 3.93Å; L99-M103 HydrophobicContact CD1-SD 4.07Å; L99-M103 HydrophobicContact CD2-CB 4.26Å; L99-M103 HydrophobicContact CG-CB 3.82Å; P100-M103 HydrophobicContact CG-SD 4.13Å; P100-M103 WeakPolarHBondContact O-CA 3.41Å; P100-M103 WeakPolarHBondContact O-CB 3.4Å; P100-M103 PolarHBondContact O-N 3.4Å; D101-M103 PolarHBondContact O-N 3.15Å
104	K	93.9	Very high	78.9	Confident	89 Å²	89	123.8 Å²	123.8	39%	0.387	74%	0.741	S	S	.	*	S	Bend	trans	-70.7	142.6	172.6	-65.3	177.5	-173.6	163.4	0	108.4	L99 P100 D101 Q106	L99-K104 HydrophobicContact CD2-CG 4.13Å; L99-K104 HydrophobicContact CG-CG 4.46Å; L99-K104 WeakPolarHBondContact O-CE 3.15Å; P100-K104 PolarHBondContact O-N 3.31Å; D101-K104 PolarHBondContact O-N 3.22Å; D101-K104 VanDerWaalsContact O-N 3.15Å; D101-K104 WeakPolarHBondContact OD1-CE 3.5Å; D101-K104 IonicContact OD1-NZ 3.95Å; D101-K104 PolarHBondContact OD1-NZ 3.13Å; K104-Q106 PolarHBondContact O-N 2.88Å
105	P	90.3	Very high	76.5	Confident	119 Å²	119	126.8 Å²	126.8	77%	0.773	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-52.4	126.8	172	-21.3	31.3	0	0	0	109	D107	P105-D107 PolarHBondContact O-N 3.18Å
106	Q	80.4	Confident	73.9	Confident	175 Å²	175	125.4 Å²	125.4	82%	0.818	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-71.4	125.4	168.1	-65.5	-167.5	-16.3	0	0	106.7	K104 S108	K104-Q106 PolarHBondContact O-N 2.88Å; Q106-S108 VanDerWaalsContact C-N 3.29Å; Q106-S108 PolarHBondContact O-N 2.88Å
107	D	72.1	Confident	71.4	Confident	164 Å²	164	126.6 Å²	126.6	88%	0.877	74%	0.742	S	S	*	*			trans	-58.9	97.5	170.1	-75.2	-38.1	0	0	0	108.1	P105 G109	P105-D107 PolarHBondContact O-N 3.18Å; D107-G109 PolarHBondContact O-N 2.79Å
108	S	59.9	Low	69	Low	130 Å²	130	133.3 Å²	133.3	91%	0.909	76%	0.763	S	S	*	*			trans	-76.8	68.9	172	37.7	0	0	0	0	108.5	Q106	Q106-S108 VanDerWaalsContact C-N 3.29Å; Q106-S108 PolarHBondContact O-N 2.88Å
109	G	57.9	Low	67.7	Low	63 Å²	63	131 Å²	131	65%	0.649	76%	0.759	S	S	*	*			trans	-154.1	61.8	-172.4	0	0	0	0	0	114	D107	D107-G109 PolarHBondContact O-N 2.79Å
110	S	49.3	Very low	66.2	Low	123 Å²	123	133.3 Å²	133.3	86%	0.86	78%	0.775	S	S	*	*			trans	-159	63	145.6	-122.5	0	0	0	0	111.9
111	S	51.9	Low	64.6	Low	134 Å²	134	136.9 Å²	136.9	94%	0.937	79%	0.793	S	S	*	*			trans	-111.3	77	154.2	-59.4	0	0	0	0	107.2
112	A	46.8	Very low	62.8	Low	92 Å²	92	137.6 Å²	137.6	76%	0.76	80%	0.801	S	S	*	*			trans	-131.4	115.9	167.3	0	0	0	0	0	108.1
113	N	49.5	Very low	60.8	Low	147 Å²	147	137.9 Å²	137.9	79%	0.786	80%	0.8	S	S	*	*			trans	-38.4	129.5	174.1	-90.1	-6.3	0	0	0	113.4
114	E	45.5	Very low	58.6	Low	186 Å²	186	138.8 Å²	138.8	87%	0.869	81%	0.813	S	S	*	*			trans	-127.2	73	146.7	-131.5	170.6	119.6	0	0	108.5	A116	E114-A116 PolarHBondContact O-N 3.19Å
115	Q	47.6	Very low	56	Low	177 Å²	177	142.4 Å²	142.4	83%	0.827	84%	0.843	S	S	*	*			trans	-69.8	91.5	147.3	-88.9	-178.4	-29.6	0	0	106.6
116	A	43.5	Very low	53.4	Low	80 Å²	80	144.2 Å²	144.2	66%	0.661	85%	0.849	S	S	*	*			trans	-107.3	104.9	157.3	0	0	0	0	0	107.3	E114 Q118	E114-A116 PolarHBondContact O-N 3.19Å; A116-Q118 PolarHBondContact O-N 3.49Å
117	V	44.1	Very low	51.2	Low	140 Å²	140	141.6 Å²	141.6	85%	0.848	85%	0.851	S	S	*	*			trans	-61.4	123.8	168.5	176.7	0	0	0	0	108.7
118	Q	45.7	Very low	49.2	Very low	263 Å²	263	139.5 Å²	139.5	100%	1.229	85%	0.849	S	S	*	*			trans	-151	0	143.1	-106.8	-178.6	21.9	0	0	109.7	A116	A116-Q118 PolarHBondContact O-N 3.49Å

Retrieved 118 of 118 residues in 32.3 ms (Link to these results)

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