A0A3Q2DRH6_CYPVA Loading...

Gamma-aminobutyric acid receptor-associated protein-like 2

Ubiquitin-like modifier involved in intra-Golgi traffic. Modulates intra-Golgi transport through coupling between NSF activity and SNAREs activation. It first stimulates the ATPase activity of NSF which in turn stimulates the association with GOSR1. Involved in autophagy. Plays a role in mitophagy which contributes to regulate mitochondrial quantity and quality by eliminating the mitochondria to a basal level to fulfill cellular energy requirements and preventing excess ROS production. Whereas LC3s are involved in elongation of the phagophore membrane, the GABARAP/GATE-16 subfamily is essential for a later stage in autophagosome maturation.

AlphaFold DB , UniProt , Accession A0A3Q2DRH6, Species CYPVA (Cyprinodon variegatus, Sheepshead minnow), Gene n/a, Length 116 aa.

						>A0A3Q2DRH6_CYPVA|A0A3Q2DRH6
MKWMFKEDHSLEHRCVESAKIRNKYPDRVPVIVEKVSGSQIVDIDKRKYLVPSDITVAQFMWIIRKRIQLPSEKAIFLFVDKTVPQSSLTMGQLYDKEKDEDGFLYVAYSGENTFG
					

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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	80.6	Confident	95.1	Very high	64 Å²	64	70.4 Å²	70.4	32%	0.315	35%	0.348	S	S	.	.				0	135.4	0	171.9	-174.1	-96.4	0	0	109.3	W3 K35 V36 A108 F115	M1-W3 HydrophobicContact SD-CD2 3.9Å; M1-W3 HydrophobicContact SD-CE3 3.82Å; M1-W3 HydrophobicContact SD-CH2 3.71Å; M1-W3 HydrophobicContact SD-CZ2 3.76Å; M1-W3 HydrophobicContact SD-CZ3 3.76Å; M1-K35 VanDerWaalsContact CE-C 3.45Å; M1-K35 WeakPolarHBondContact CE-O 3.5Å; M1-V36 HydrophobicContact CE-CB 4.17Å; M1-V36 HydrophobicContact CE-CG2 3.91Å; M1-A108 HydrophobicContact CE-CB 3.57Å; M1-A108 HydrophobicContact SD-CB 3.74Å; M1-F115 HydrophobicContact CB-CE1 4.26Å; M1-F115 HydrophobicContact CB-CZ 3.63Å
2	K	89.7	Confident	95.4	Very high	123 Å²	123	77.2 Å²	77.2	54%	0.535	38%	0.378	S	S	.	.			trans	-93.8	121.3	167.7	-174.5	177.7	-180	-173.6	0	107.8	M4 E7	K2-M4 HydrophobicContact CB-CE 4.47Å; K2-M4 HydrophobicContact CD-CE 4.22Å; K2-M4 HydrophobicContact CG-CE 4.05Å; K2-E7 VanDerWaalsContact CE-CG 3.43Å; K2-E7 WeakPolarHBondContact CE-OE1 3.36Å; K2-E7 WeakPolarHBondContact CE-OE2 3.4Å; K2-E7 HydrophobicContact CG-CG 4.39Å; K2-E7 IonicContact NZ-OE1 2.86Å; K2-E7 IonicContact NZ-OE2 3.55Å; K2-E7 PolarHBondContact NZ-OE2 3.36Å
3	W	95.9	Very high	95.6	Very high	44 Å²	44	78.5 Å²	78.5	17%	0.167	38%	0.383	C	S	.	.			trans	-83.5	119.5	-177.9	-64.4	98.8	0	0	0	110.3	M1 F5 K6 E7 E34 Y106 A108	M1-W3 HydrophobicContact SD-CD2 3.9Å; M1-W3 HydrophobicContact SD-CE3 3.82Å; M1-W3 HydrophobicContact SD-CH2 3.71Å; M1-W3 HydrophobicContact SD-CZ2 3.76Å; M1-W3 HydrophobicContact SD-CZ3 3.76Å; W3-F5 VanDerWaalsContact C-N 3.26Å; W3-F5 PolarHBondContact O-N 2.9Å; W3-K6 HydrophobicContact CB-CB 4.14Å; W3-K6 HydrophobicContact CB-CD 4.37Å; W3-K6 HydrophobicContact CB-CG 3.86Å; W3-K6 PolarHBondContact O-N 2.93Å; W3-K6 VanDerWaalsContact O-N 3.13Å; W3-E7 PolarHBondContact O-N 3.48Å; W3-E34 WeakPolarHBondContact CA-OE2 3.42Å; W3-E34 HydrophobicContact CE3-CB 3.91Å; W3-E34 HydrophobicContact CE3-CG 3.95Å; W3-E34 HydrophobicContact CZ3-CB 3.83Å; W3-E34 HydrophobicContact CZ3-CG 4.18Å; W3-Y106 HydrophobicContact CB-CE1 4.36Å; W3-Y106 AromaticContact CD2-CD1 3.49Å; W3-Y106 HydrophobicContact CD2-CD1 3.49Å; W3-Y106 VanDerWaalsContact CD2-CD1 3.49Å; W3-Y106 HydrophobicContact CD2-CE1 4.19Å; W3-Y106 HydrophobicContact CD2-CG 4.29Å; W3-Y106 AromaticContact CE2-CD1 3.83Å; W3-Y106 AromaticContact CE3-CD1 3.57Å; W3-Y106 HydrophobicContact CE3-CD1 3.57Å; W3-Y106 HydrophobicContact CE3-CE1 4.35Å; W3-Y106 HydrophobicContact CE3-CG 4.49Å; W3-Y106 AromaticContact CG-CD1 3.92Å; W3-Y106 HydrophobicContact CG-CD1 3.92Å; W3-Y106 HydrophobicContact CG-CE1 4.19Å; W3-Y106 HydrophobicContact CH2-CD1 4.28Å; W3-Y106 HydrophobicContact CH2-CG 4.47Å; W3-Y106 HydrophobicContact CZ2-CD1 4.25Å; W3-Y106 HydrophobicContact CZ2-CG 4.3Å; W3-Y106 AromaticContact CZ3-CD1 3.95Å; W3-Y106 HydrophobicContact CZ3-CD1 3.95Å; W3-A108 HydrophobicContact CH2-CB 3.89Å
4	M	95.9	Very high	95.8	Very high	87 Å²	87	74.3 Å²	74.3	43%	0.429	36%	0.361	S	S	.	.	H	α-helix	trans	-63.2	-36.1	178.3	-65.3	-64.5	94.5	0	0	111	K2 K6 E7 D8 E34 R47	K2-M4 HydrophobicContact CB-CE 4.47Å; K2-M4 HydrophobicContact CD-CE 4.22Å; K2-M4 HydrophobicContact CG-CE 4.05Å; M4-K6 VanDerWaalsContact C-N 3.26Å; M4-K6 PolarHBondContact O-N 3.37Å; M4-E7 HydrophobicContact CE-CG 4.2Å; M4-E7 WeakPolarHBondContact O-CB 3.43Å; M4-E7 PolarHBondContact O-N 3.33Å; M4-D8 WeakPolarHBondContact O-CB 3.48Å; M4-D8 PolarHBondContact O-N 2.95Å; M4-E34 PolarHBondContact N-OE1 3.04Å; M4-E34 PolarHBondContact N-OE2 3.26Å; M4-R47 VanDerWaalsContact CB-NH1 3.33Å
5	F	97.2	Very high	96	Very high	4 Å²	4	72.3 Å²	72.3	2%	0.018	36%	0.357	C	S	.	.	H	α-helix	trans	-58.1	-34.8	174.7	-174.3	-107.1	0	0	0	113.8	W3 H9 R14 I32 E34 K48 F104 Y106	W3-F5 VanDerWaalsContact C-N 3.26Å; W3-F5 PolarHBondContact O-N 2.9Å; F5-H9 AromaticContact CD2-CD2 3.67Å; F5-H9 AromaticContact CD2-NE2 3.89Å; F5-H9 AromaticContact CE2-CD2 3.16Å; F5-H9 WeakPolarHBondContact CE2-CD2 3.24Å; F5-H9 AromaticContact CE2-NE2 3.48Å; F5-H9 WeakPolarHBondContact CE2-NE2 3.37Å; F5-H9 AromaticContact CZ-CD2 3.62Å; F5-H9 PolarHBondContact O-N 3.49Å; F5-R14 HydrophobicContact CD1-CG 4.37Å; F5-R14 HydrophobicContact CE1-CG 3.69Å; F5-R14 HydrophobicContact CZ-CG 4.19Å; F5-I32 HydrophobicContact CB-CG2 3.81Å; F5-I32 HydrophobicContact CD1-CD1 3.68Å; F5-I32 HydrophobicContact CD1-CG1 3.65Å; F5-I32 HydrophobicContact CD1-CG2 4.22Å; F5-I32 HydrophobicContact CD2-CD1 4.01Å; F5-I32 HydrophobicContact CE1-CD1 3.54Å; F5-I32 HydrophobicContact CE1-CG1 3.78Å; F5-I32 HydrophobicContact CE2-CD1 3.89Å; F5-I32 HydrophobicContact CG-CD1 3.91Å; F5-I32 HydrophobicContact CG-CG1 4.16Å; F5-I32 HydrophobicContact CG-CG2 4.04Å; F5-I32 HydrophobicContact CZ-CD1 3.65Å; F5-I32 HydrophobicContact CZ-CG1 4.41Å; F5-E34 WeakPolarHBondContact CB-OE1 3.26Å; F5-E34 PolarHBondContact N-OE1 3.34Å; F5-K48 HydrophobicContact CD2-CD 4.44Å; F5-K48 HydrophobicContact CE2-CD 3.7Å; F5-K48 HydrophobicContact CE2-CG 4.09Å; F5-K48 HydrophobicContact CZ-CD 4.4Å; F5-F104 HydrophobicContact CE1-CD2 4.1Å; F5-F104 HydrophobicContact CE1-CE2 4.01Å; F5-F104 HydrophobicContact CE1-CG 4.46Å; F5-F104 HydrophobicContact CE1-CZ 4.31Å; F5-F104 HydrophobicContact CZ-CE1 4.49Å; F5-F104 HydrophobicContact CZ-CE2 4.15Å; F5-F104 HydrophobicContact CZ-CZ 4.07Å; F5-Y106 HydrophobicContact CD1-CE1 4.06Å; F5-Y106 WeakPolarHBondContact CD1-OH 3.34Å
6	K	97.8	Very high	96.2	Very high	51 Å²	51	73.7 Å²	73.7	22%	0.222	37%	0.37	C	S	.	.	H	α-helix	trans	-76.7	-23.3	176.8	-63.6	-161.9	178	-165.6	0	112.9	W3 M4 D100 Y106	W3-K6 HydrophobicContact CB-CB 4.14Å; W3-K6 HydrophobicContact CB-CD 4.37Å; W3-K6 HydrophobicContact CB-CG 3.86Å; W3-K6 PolarHBondContact O-N 2.93Å; W3-K6 VanDerWaalsContact O-N 3.13Å; M4-K6 VanDerWaalsContact C-N 3.26Å; M4-K6 PolarHBondContact O-N 3.37Å; K6-D100 IonicContact NZ-OD1 2.72Å; K6-D100 PolarHBondContact NZ-OD1 2.77Å; K6-D100 IonicContact NZ-OD2 2.76Å; K6-D100 PolarHBondContact NZ-OD2 3.06Å; K6-Y106 HydrophobicContact CD-CE1 4.41Å; K6-Y106 WeakPolarHBondContact CE-OH 3.2Å; K6-Y106 HydrophobicContact CG-CE1 3.93Å; K6-Y106 WeakPolarHBondContact CG-OH 3.47Å
7	E	97.3	Very high	96.3	Very high	111 Å²	111	72.8 Å²	72.8	52%	0.519	36%	0.364	S	S	.	.	H	α-helix	trans	-80.1	-40.4	173	-61.5	-68	129.2	0	0	111.4	K2 W3 M4 H9	K2-E7 VanDerWaalsContact CE-CG 3.43Å; K2-E7 WeakPolarHBondContact CE-OE1 3.36Å; K2-E7 WeakPolarHBondContact CE-OE2 3.4Å; K2-E7 HydrophobicContact CG-CG 4.39Å; K2-E7 IonicContact NZ-OE1 2.86Å; K2-E7 IonicContact NZ-OE2 3.55Å; K2-E7 PolarHBondContact NZ-OE2 3.36Å; W3-E7 PolarHBondContact O-N 3.48Å; M4-E7 HydrophobicContact CE-CG 4.2Å; M4-E7 WeakPolarHBondContact O-CB 3.43Å; M4-E7 PolarHBondContact O-N 3.33Å; E7-H9 PolarHBondContact O-N 3.09Å
8	D	97.4	Very high	96.4	Very high	87 Å²	87	69.1 Å²	69.1	47%	0.465	35%	0.346	S	S	.	.	H	α-helix	trans	-66.4	-29.2	-179.8	-66.1	-24.9	0	0	0	110.8	M4 R47	M4-D8 WeakPolarHBondContact O-CB 3.48Å; M4-D8 PolarHBondContact O-N 2.95Å; D8-R47 IonicContact OD2-CZ 3.45Å; D8-R47 IonicContact OD2-NH1 3.03Å; D8-R47 PolarHBondContact OD2-NH1 3.02Å; D8-R47 IonicContact OD2-NH2 2.87Å; D8-R47 PolarHBondContact OD2-NH2 2.78Å
9	H	97.8	Very high	96.5	Very high	55 Å²	55	67.9 Å²	67.9	26%	0.255	35%	0.349	S	S	.	.	S	Bend	trans	-136.2	132.2	-169.3	-55.5	-14.5	0	0	0	113.4	F5 E7 H13 R14	F5-H9 AromaticContact CD2-CD2 3.67Å; F5-H9 AromaticContact CD2-NE2 3.89Å; F5-H9 AromaticContact CE2-CD2 3.16Å; F5-H9 WeakPolarHBondContact CE2-CD2 3.24Å; F5-H9 AromaticContact CE2-NE2 3.48Å; F5-H9 WeakPolarHBondContact CE2-NE2 3.37Å; F5-H9 AromaticContact CZ-CD2 3.62Å; F5-H9 PolarHBondContact O-N 3.49Å; E7-H9 PolarHBondContact O-N 3.09Å; H9-H13 AromaticContact CG-CD2 3.95Å; H9-R14 HydrophobicContact CB-CG 3.88Å; H9-R14 PolarHBondContact O-NE 3.41Å
10	S	98.3	Very high	96.6	Very high	74 Å²	74	72.3 Å²	72.3	52%	0.517	37%	0.365	S	S	.	.			trans	-60.3	156.3	175.1	69.8	0	0	0	0	112.2	E12 H13 R14	S10-E12 VanDerWaalsContact C-N 3.31Å; S10-E12 PolarHBondContact O-N 2.96Å; S10-H13 PolarHBondContact O-N 2.9Å; S10-H13 WeakPolarHBondContact OG-CB 3.45Å; S10-H13 PolarHBondContact OG-N 3.29Å; S10-R14 WeakPolarHBondContact O-CG 3.38Å; S10-R14 PolarHBondContact O-N 3.03Å; S10-R14 VanDerWaalsContact O-N 3.11Å; S10-R14 PolarHBondContact O-NE 2.73Å
11	L	98.4	Very high	96.7	Very high	74 Å²	74	71.1 Å²	71.1	39%	0.387	36%	0.359	S	S	.	.	H	α-helix	trans	-55.9	-47.6	177	176.3	60.2	0	0	0	111.3	H13 R14 C15 E101 D102	L11-H13 VanDerWaalsContact C-N 3.32Å; L11-H13 PolarHBondContact O-N 3.46Å; L11-R14 PolarHBondContact O-N 3.06Å; L11-R14 VanDerWaalsContact O-N 3.14Å; L11-C15 PolarHBondContact O-N 3.14Å; L11-C15 PolarHBondContact O-SG 2.6Å; L11-E101 HydrophobicContact CD1-CG 4.15Å; L11-D102 HydrophobicContact CD1-CB 3.72Å
12	E	98.4	Very high	97.5	Very high	152 Å²	152	71 Å²	71	71%	0.71	36%	0.355	S	S	*	.	H	α-helix	trans	-57.4	-44	178.9	-174.3	179.7	-173.2	0	0	112.2	S10 R14 C15 V16	S10-E12 VanDerWaalsContact C-N 3.31Å; S10-E12 PolarHBondContact O-N 2.96Å; E12-R14 VanDerWaalsContact C-N 3.35Å; E12-R14 PolarHBondContact O-N 3.49Å; E12-C15 PolarHBondContact O-N 3.26Å; E12-V16 WeakPolarHBondContact O-CG2 3.47Å; E12-V16 PolarHBondContact O-N 3.47Å
13	H	98.4	Very high	97.9	Very high	95 Å²	95	71.8 Å²	71.8	44%	0.44	37%	0.366	S	S	.	.	H	α-helix	trans	-60.9	-45	177.3	-176.4	78.1	0	0	0	111.7	H9 S10 L11 V16 E17	H9-H13 AromaticContact CG-CD2 3.95Å; S10-H13 PolarHBondContact O-N 2.9Å; S10-H13 WeakPolarHBondContact OG-CB 3.45Å; S10-H13 PolarHBondContact OG-N 3.29Å; L11-H13 VanDerWaalsContact C-N 3.32Å; L11-H13 PolarHBondContact O-N 3.46Å; H13-V16 PolarHBondContact O-N 3.32Å; H13-E17 WeakPolarHBondContact O-CB 3.49Å; H13-E17 PolarHBondContact O-N 3.44Å
14	R	98.6	Very high	98	Very high	19 Å²	19	76.1 Å²	76.1	7%	0.072	39%	0.386	C	S	.	.	H	α-helix	trans	-63.5	-45.1	178.8	-68.6	179.3	-81.4	131.2	-7.3	111.4	F5 H9 S10 L11 E12 V16 E17 S18 D102 F104	F5-R14 HydrophobicContact CD1-CG 4.37Å; F5-R14 HydrophobicContact CE1-CG 3.69Å; F5-R14 HydrophobicContact CZ-CG 4.19Å; H9-R14 HydrophobicContact CB-CG 3.88Å; H9-R14 PolarHBondContact O-NE 3.41Å; S10-R14 WeakPolarHBondContact O-CG 3.38Å; S10-R14 PolarHBondContact O-N 3.03Å; S10-R14 VanDerWaalsContact O-N 3.11Å; S10-R14 PolarHBondContact O-NE 2.73Å; L11-R14 PolarHBondContact O-N 3.06Å; L11-R14 VanDerWaalsContact O-N 3.14Å; E12-R14 VanDerWaalsContact C-N 3.35Å; E12-R14 PolarHBondContact O-N 3.49Å; R14-V16 PolarHBondContact O-N 2.97Å; R14-E17 PolarHBondContact O-N 3.37Å; R14-S18 WeakPolarHBondContact O-CB 3.24Å; R14-S18 PolarHBondContact O-N 3.45Å; R14-S18 PolarHBondContact O-OG 3.11Å; R14-D102 HydrophobicContact CB-CB 3.79Å; R14-D102 WeakPolarHBondContact CD-OD2 3.37Å; R14-D102 IonicContact CZ-OD2 2.71Å; R14-D102 IonicContact NE-OD2 2.64Å; R14-D102 IonicContact NH1-OD2 3.88Å; R14-D102 PolarHBondContact NH1-OD2 3.03Å; R14-F104 HydrophobicContact CB-CD2 4.41Å; R14-F104 HydrophobicContact CB-CE2 4.23Å; R14-F104 WeakPolarHBondContact O-CE2 3.43Å
15	C	98.6	Very high	98.1	Very high	45 Å²	45	76.2 Å²	76.2	30%	0.304	38%	0.382	S	S	.	.	H	α-helix	trans	-58.5	-47.5	175.9	-66.2	0	0	0	0	112.6	L11 E12 E17 S18 A19 D102	L11-C15 PolarHBondContact O-N 3.14Å; L11-C15 PolarHBondContact O-SG 2.6Å; E12-C15 PolarHBondContact O-N 3.26Å; C15-E17 VanDerWaalsContact C-N 3.34Å; C15-E17 PolarHBondContact O-N 3.25Å; C15-S18 PolarHBondContact O-OG 3.35Å; C15-S18 VanDerWaalsContact O-OG 3.09Å; C15-A19 VanDerWaalsContact O-CB 3.24Å; C15-A19 WeakPolarHBondContact O-CB 3.39Å; C15-A19 PolarHBondContact O-N 3Å; C15-D102 WeakPolarHBondContact CA-O 3.47Å
16	V	98.5	Very high	98.1	Very high	94 Å²	94	79.8 Å²	79.8	57%	0.57	41%	0.405	S	S	*	.	H	α-helix	trans	-64.3	-42.3	179.5	170.9	0	0	0	0	110.6	E12 H13 R14 K20	E12-V16 WeakPolarHBondContact O-CG2 3.47Å; E12-V16 PolarHBondContact O-N 3.47Å; H13-V16 PolarHBondContact O-N 3.32Å; R14-V16 PolarHBondContact O-N 2.97Å; V16-K20 VanDerWaalsContact O-CB 3.26Å; V16-K20 WeakPolarHBondContact O-CB 3.17Å; V16-K20 PolarHBondContact O-N 3.38Å
17	E	98.2	Very high	98.1	Very high	58 Å²	58	83.5 Å²	83.5	27%	0.271	43%	0.428	S	S	.	.	H	α-helix	trans	-66.5	-48.5	-179.3	-171.7	178.2	-170.9	0	0	112.3	H13 R14 C15 K20 I21 K48 F104	H13-E17 WeakPolarHBondContact O-CB 3.49Å; H13-E17 PolarHBondContact O-N 3.44Å; R14-E17 PolarHBondContact O-N 3.37Å; C15-E17 VanDerWaalsContact C-N 3.34Å; C15-E17 PolarHBondContact O-N 3.25Å; E17-K20 PolarHBondContact O-N 3.37Å; E17-I21 PolarHBondContact O-N 2.65Å; E17-K48 WeakPolarHBondContact OE1-CE 3.3Å; E17-K48 IonicContact OE1-NZ 2.6Å; E17-K48 PolarHBondContact OE1-NZ 2.82Å; E17-K48 IonicContact OE2-NZ 2.73Å; E17-K48 PolarHBondContact OE2-NZ 2.83Å; E17-F104 HydrophobicContact CB-CZ 4.38Å; E17-F104 HydrophobicContact CG-CZ 4.23Å
18	S	98.3	Very high	98.2	Very high	6 Å²	6	83.3 Å²	83.3	4%	0.042	42%	0.422	C	S	.	.	H	α-helix	trans	-62.3	-44	179.9	69.5	0	0	0	0	111.3	R14 C15 K20 I21 R22 D102 G103	R14-S18 WeakPolarHBondContact O-CB 3.24Å; R14-S18 PolarHBondContact O-N 3.45Å; R14-S18 PolarHBondContact O-OG 3.11Å; C15-S18 PolarHBondContact O-OG 3.35Å; C15-S18 VanDerWaalsContact O-OG 3.09Å; S18-K20 PolarHBondContact O-N 3.41Å; S18-I21 WeakPolarHBondContact O-CG2 3.28Å; S18-I21 PolarHBondContact O-N 3.45Å; S18-R22 VanDerWaalsContact O-CB 3.28Å; S18-R22 WeakPolarHBondContact O-CB 3.46Å; S18-R22 WeakPolarHBondContact O-CG 3.37Å; S18-R22 PolarHBondContact O-N 3.48Å; S18-D102 VanDerWaalsContact CB-O 3.25Å; S18-D102 WeakPolarHBondContact CB-O 3.46Å; S18-D102 PolarHBondContact OG-O 3.3Å; S18-G103 WeakPolarHBondContact CB-O 3.49Å
19	A	98.4	Very high	98.2	Very high	47 Å²	47	79.2 Å²	79.2	39%	0.388	40%	0.4	S	S	.	.	H	α-helix	trans	-61.6	-45.2	177.2	0	0	0	0	0	111.2	C15 I21 R22 N23	C15-A19 VanDerWaalsContact O-CB 3.24Å; C15-A19 WeakPolarHBondContact O-CB 3.39Å; C15-A19 PolarHBondContact O-N 3Å; A19-I21 PolarHBondContact O-N 3.35Å; A19-R22 PolarHBondContact O-N 3.07Å; A19-N23 WeakPolarHBondContact O-CB 3.2Å; A19-N23 VanDerWaalsContact O-CG 3.22Å; A19-N23 PolarHBondContact O-N 2.97Å; A19-N23 PolarHBondContact O-ND2 3.45Å
20	K	98.4	Very high	98.3	Very high	156 Å²	156	76.7 Å²	76.7	68%	0.678	39%	0.389	S	S	*	.	H	α-helix	trans	-61.4	-46.1	178	-177.2	178.7	179.9	177.6	0	111.9	V16 E17 S18 K24	V16-K20 VanDerWaalsContact O-CB 3.26Å; V16-K20 WeakPolarHBondContact O-CB 3.17Å; V16-K20 PolarHBondContact O-N 3.38Å; E17-K20 PolarHBondContact O-N 3.37Å; S18-K20 PolarHBondContact O-N 3.41Å; K20-K24 WeakPolarHBondContact O-CB 3.28Å; K20-K24 PolarHBondContact O-N 2.91Å; K20-K24 VanDerWaalsContact O-N 3.09Å
21	I	97.9	Very high	98.3	Very high	47 Å²	47	73.2 Å²	73.2	24%	0.241	36%	0.364	C	S	.	.	H	α-helix	trans	-72.5	-34.8	-177.2	-159.2	68.6	0	0	0	112	E17 S18 A19 K24 Y25 P30 L50	E17-I21 PolarHBondContact O-N 2.65Å; S18-I21 WeakPolarHBondContact O-CG2 3.28Å; S18-I21 PolarHBondContact O-N 3.45Å; A19-I21 PolarHBondContact O-N 3.35Å; I21-K24 PolarHBondContact O-N 2.74Å; I21-Y25 HydrophobicContact CD1-CD2 3.59Å; I21-Y25 HydrophobicContact CD1-CE2 3.6Å; I21-Y25 HydrophobicContact CG1-CD2 4.02Å; I21-Y25 PolarHBondContact O-N 2.86Å; I21-P30 HydrophobicContact CG2-CB 3.82Å; I21-P30 HydrophobicContact CG2-CG 4.15Å; I21-L50 HydrophobicContact CD1-CD2 4.15Å; I21-L50 HydrophobicContact CG1-CD1 3.87Å; I21-L50 HydrophobicContact CG1-CD2 3.92Å; I21-L50 HydrophobicContact CG1-CG 4.48Å
22	R	97.8	Very high	98.3	Very high	62 Å²	62	69.7 Å²	69.7	23%	0.234	35%	0.346	C	S	.	.	H	α-helix	trans	-64.5	-43.6	173.3	-75.6	-72.6	-63.2	173	-7.1	112	S18 A19 K24 Y25 P26 R28 P30	S18-R22 VanDerWaalsContact O-CB 3.28Å; S18-R22 WeakPolarHBondContact O-CB 3.46Å; S18-R22 WeakPolarHBondContact O-CG 3.37Å; S18-R22 PolarHBondContact O-N 3.48Å; A19-R22 PolarHBondContact O-N 3.07Å; R22-K24 VanDerWaalsContact C-N 3.28Å; R22-K24 PolarHBondContact O-N 2.94Å; R22-Y25 CarbonylContact O-C 3.53Å; R22-Y25 VanDerWaalsContact O-C 3.23Å; R22-Y25 PolarHBondContact O-N 2.79Å; R22-P26 PolarHBondContact NH1-O 2.76Å; R22-P26 VanDerWaalsContact O-CA 3.28Å; R22-P26 WeakPolarHBondContact O-CA 3.16Å; R22-P26 VanDerWaalsContact O-N 3.15Å; R22-R28 WeakPolarHBondContact CD-O 3.47Å; R22-R28 PolarHBondContact NH1-O 2.87Å; R22-P30 VanDerWaalsContact CD-CD 3.46Å; R22-P30 HydrophobicContact CG-CG 4.1Å
23	N	97.9	Very high	98.3	Very high	140 Å²	140	62.4 Å²	62.4	75%	0.749	31%	0.312	S	S	*	.	H	α-helix	trans	-64.2	-35.4	175.6	-72.3	-16.8	0	0	0	112.1	A19	A19-N23 WeakPolarHBondContact O-CB 3.2Å; A19-N23 VanDerWaalsContact O-CG 3.22Å; A19-N23 PolarHBondContact O-N 2.97Å; A19-N23 PolarHBondContact O-ND2 3.45Å
24	K	98.4	Very high	98.3	Very high	135 Å²	135	58.4 Å²	58.4	59%	0.587	29%	0.293	S	S	*	.	H	α-helix	trans	-75.6	-32.8	178.7	-169	175.7	179.4	-168.1	0	113	K20 I21 R22	K20-K24 WeakPolarHBondContact O-CB 3.28Å; K20-K24 PolarHBondContact O-N 2.91Å; K20-K24 VanDerWaalsContact O-N 3.09Å; I21-K24 PolarHBondContact O-N 2.74Å; R22-K24 VanDerWaalsContact C-N 3.28Å; R22-K24 PolarHBondContact O-N 2.94Å
25	Y	98.3	Very high	98.2	Very high	89 Å²	89	59.9 Å²	59.9	35%	0.349	30%	0.3	S	S	.	.			trans	-136	76.2	-177.1	-55.8	-75.4	0	0	0	110.2	I21 R22 D27 R28 L50	I21-Y25 HydrophobicContact CD1-CD2 3.59Å; I21-Y25 HydrophobicContact CD1-CE2 3.6Å; I21-Y25 HydrophobicContact CG1-CD2 4.02Å; I21-Y25 PolarHBondContact O-N 2.86Å; R22-Y25 CarbonylContact O-C 3.53Å; R22-Y25 VanDerWaalsContact O-C 3.23Å; R22-Y25 PolarHBondContact O-N 2.79Å; Y25-D27 PolarHBondContact O-N 3.21Å; Y25-R28 PolarHBondContact O-N 3.28Å; Y25-R28 VanDerWaalsContact O-N 3.08Å; Y25-L50 HydrophobicContact CD2-CD2 3.44Å; Y25-L50 VanDerWaalsContact CD2-CD2 3.44Å; Y25-L50 HydrophobicContact CE2-CD2 3.97Å; Y25-L50 HydrophobicContact CG-CD2 3.81Å
26	P	97.4	Very high	98	Very high	79 Å²	79	58.1 Å²	58.1	51%	0.513	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-32	-173.1	23.4	-33.8	0	0	0	113.2	R22 R28	R22-P26 PolarHBondContact NH1-O 2.76Å; R22-P26 VanDerWaalsContact O-CA 3.28Å; R22-P26 WeakPolarHBondContact O-CA 3.16Å; R22-P26 VanDerWaalsContact O-N 3.15Å; P26-R28 PolarHBondContact O-N 2.84Å
27	D	97.7	Very high	97.6	Very high	129 Å²	129	58.1 Å²	58.1	69%	0.69	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	12.1	179.4	-52.9	-43.2	0	0	0	113.5	Y25 S53	Y25-D27 PolarHBondContact O-N 3.21Å; D27-S53 VanDerWaalsContact C-OG 3.28Å; D27-S53 PolarHBondContact O-N 3.08Å; D27-S53 PolarHBondContact O-OG 3.26Å; D27-S53 VanDerWaalsContact O-OG 3.07Å
28	R	98.6	Very high	97.3	Very high	107 Å²	107	58.6 Å²	58.6	40%	0.404	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145.8	-179.7	-58	-168.1	177.9	-142.2	1.2	112.6	R22 Y25 P26 L50 V51	R22-R28 WeakPolarHBondContact CD-O 3.47Å; R22-R28 PolarHBondContact NH1-O 2.87Å; Y25-R28 PolarHBondContact O-N 3.28Å; Y25-R28 VanDerWaalsContact O-N 3.08Å; P26-R28 PolarHBondContact O-N 2.84Å; R28-L50 HydrophobicContact CB-CD1 3.68Å; R28-L50 HydrophobicContact CB-CD2 4.35Å; R28-L50 HydrophobicContact CB-CG 3.71Å; R28-L50 HydrophobicContact CG-CG 4.36Å; R28-L50 PolarHBondContact NH1-O 3.12Å; R28-V51 CarbonylContact C-O 3.6Å; R28-V51 WeakPolarHBondContact CA-O 3.45Å; R28-V51 WeakPolarHBondContact CB-O 3.46Å
29	V	98.5	Very high	97	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	130	177.8	-61.9	0	0	0	0	110.5	V31 V51 M91 Y95	V29-V31 HydrophobicContact CB-CG2 4.5Å; V29-V31 HydrophobicContact CG2-CG2 3.82Å; V29-V51 HydrophobicContact CG2-CB 3.94Å; V29-V51 PolarHBondContact N-O 3.03Å; V29-V51 PolarHBondContact O-N 3.42Å; V29-M91 HydrophobicContact CG2-CB 3.91Å; V29-Y95 HydrophobicContact CB-CD2 3.88Å; V29-Y95 HydrophobicContact CB-CG 4.03Å; V29-Y95 HydrophobicContact CG1-CD1 4.1Å; V29-Y95 HydrophobicContact CG1-CD2 4.02Å; V29-Y95 HydrophobicContact CG1-CG 3.64Å
30	P	98.6	Very high	96.7	Very high	3 Å²	3	64.6 Å²	64.6	2%	0.019	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	123.6	172.5	33.4	-34.9	0	0	0	109.5	I21 R22 Y49 L50 Y95 G103 F104 L105	I21-P30 HydrophobicContact CG2-CB 3.82Å; I21-P30 HydrophobicContact CG2-CG 4.15Å; R22-P30 VanDerWaalsContact CD-CD 3.46Å; R22-P30 HydrophobicContact CG-CG 4.1Å; P30-Y49 WeakPolarHBondContact CA-O 3.38Å; P30-L50 HydrophobicContact CB-CD1 4.46Å; P30-Y95 HydrophobicContact CG-CE2 4.16Å; P30-G103 WeakPolarHBondContact CG-O 3.25Å; P30-F104 HydrophobicContact CB-CD1 3.62Å; P30-F104 HydrophobicContact CB-CE1 3.69Å; P30-F104 HydrophobicContact CG-CD1 4.22Å; P30-L105 PolarHBondContact O-N 2.98Å
31	V	98.8	Very high	96.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.6	-174.1	-170.5	0	0	0	0	110.1	V29 V33 Y49 V51 F60 M91 L105 V107	V29-V31 HydrophobicContact CB-CG2 4.5Å; V29-V31 HydrophobicContact CG2-CG2 3.82Å; V31-V33 HydrophobicContact CG1-CG2 4.03Å; V31-Y49 PolarHBondContact N-O 2.8Å; V31-Y49 PolarHBondContact O-N 2.99Å; V31-V51 HydrophobicContact CB-CG2 4.3Å; V31-V51 HydrophobicContact CG2-CB 4.33Å; V31-V51 HydrophobicContact CG2-CG2 3.77Å; V31-F60 HydrophobicContact CB-CZ 4.44Å; V31-F60 HydrophobicContact CG1-CE1 4.22Å; V31-F60 HydrophobicContact CG1-CZ 3.9Å; V31-M91 HydrophobicContact CG2-CE 3.95Å; V31-L105 CarbonylContact C-O 3.46Å; V31-L105 VanDerWaalsContact CA-O 3.3Å; V31-L105 WeakPolarHBondContact CA-O 3.47Å; V31-L105 WeakPolarHBondContact CG1-O 3.41Å; V31-L105 HydrophobicContact CG2-CB 4.4Å; V31-L105 HydrophobicContact CG2-CD2 4.31Å; V31-V107 HydrophobicContact CG1-CB 4.24Å; V31-V107 HydrophobicContact CG1-CG2 3.6Å
32	I	98.6	Very high	96.5	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.1	170	-56.3	-57.9	0	0	0	108.3	F5 E34 R47 K48 F104 L105 Y106 V107	F5-I32 HydrophobicContact CB-CG2 3.81Å; F5-I32 HydrophobicContact CD1-CD1 3.68Å; F5-I32 HydrophobicContact CD1-CG1 3.65Å; F5-I32 HydrophobicContact CD1-CG2 4.22Å; F5-I32 HydrophobicContact CD2-CD1 4.01Å; F5-I32 HydrophobicContact CE1-CD1 3.54Å; F5-I32 HydrophobicContact CE1-CG1 3.78Å; F5-I32 HydrophobicContact CE2-CD1 3.89Å; F5-I32 HydrophobicContact CG-CD1 3.91Å; F5-I32 HydrophobicContact CG-CG1 4.16Å; F5-I32 HydrophobicContact CG-CG2 4.04Å; F5-I32 HydrophobicContact CZ-CD1 3.65Å; F5-I32 HydrophobicContact CZ-CG1 4.41Å; I32-E34 HydrophobicContact CG2-CG 4.17Å; I32-R47 CarbonylContact C-O 3.23Å; I32-R47 WeakPolarHBondContact CA-O 3.28Å; I32-K48 HydrophobicContact CD1-CB 4.43Å; I32-K48 HydrophobicContact CD1-CG 3.7Å; I32-F104 HydrophobicContact CD1-CD1 3.68Å; I32-F104 HydrophobicContact CD1-CE1 3.9Å; I32-F104 HydrophobicContact CD1-CG 4.29Å; I32-F104 HydrophobicContact CG1-CB 3.96Å; I32-F104 HydrophobicContact CG1-CD1 3.71Å; I32-F104 HydrophobicContact CG1-CE1 4.42Å; I32-F104 HydrophobicContact CG1-CG 3.93Å; I32-L105 PolarHBondContact N-O 2.86Å; I32-Y106 HydrophobicContact CB-CD1 3.78Å; I32-Y106 HydrophobicContact CB-CE1 3.89Å; I32-Y106 HydrophobicContact CB-CG 4.41Å; I32-Y106 HydrophobicContact CG1-CD1 4.29Å; I32-Y106 HydrophobicContact CG1-CE1 3.95Å; I32-Y106 HydrophobicContact CG2-CD1 3.94Å; I32-Y106 HydrophobicContact CG2-CE1 3.93Å; I32-V107 PolarHBondContact O-N 2.55Å
33	V	98.3	Very high	96.3	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.9	-178.9	-175.8	0	0	0	0	109.3	V31 I44 R47 Y49 F60 I64 V107 Y109	V31-V33 HydrophobicContact CG1-CG2 4.03Å; V33-I44 HydrophobicContact CG1-CD1 4.06Å; V33-R47 PolarHBondContact N-O 3.29Å; V33-R47 WeakPolarHBondContact O-CA 3.42Å; V33-Y49 HydrophobicContact CB-CD2 4.07Å; V33-Y49 HydrophobicContact CB-CE2 3.91Å; V33-Y49 HydrophobicContact CG2-CD2 3.52Å; V33-Y49 HydrophobicContact CG2-CE2 3.79Å; V33-Y49 HydrophobicContact CG2-CG 4.48Å; V33-F60 HydrophobicContact CG2-CE1 4.25Å; V33-F60 HydrophobicContact CG2-CZ 3.69Å; V33-I64 HydrophobicContact CG1-CD1 4.11Å; V33-I64 HydrophobicContact CG2-CD1 4.05Å; V33-V107 VanDerWaalsContact CA-O 3.28Å; V33-V107 WeakPolarHBondContact CA-O 3.46Å; V33-Y109 HydrophobicContact CG1-CD1 3.64Å; V33-Y109 HydrophobicContact CG1-CE1 3.97Å
34	E	97.6	Very high	96.2	Very high	11 Å²	11	56 Å²	56	5%	0.051	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	150.6	177.1	-62.9	-165.8	167.9	0	0	111.6	W3 M4 F5 I32 R47 V107 A108 Y109	W3-E34 WeakPolarHBondContact CA-OE2 3.42Å; W3-E34 HydrophobicContact CE3-CB 3.91Å; W3-E34 HydrophobicContact CE3-CG 3.95Å; W3-E34 HydrophobicContact CZ3-CB 3.83Å; W3-E34 HydrophobicContact CZ3-CG 4.18Å; M4-E34 PolarHBondContact N-OE1 3.04Å; M4-E34 PolarHBondContact N-OE2 3.26Å; F5-E34 WeakPolarHBondContact CB-OE1 3.26Å; F5-E34 PolarHBondContact N-OE1 3.34Å; I32-E34 HydrophobicContact CG2-CG 4.17Å; E34-R47 HydrophobicContact CG-CG 4.33Å; E34-R47 WeakPolarHBondContact OE1-CD 3.49Å; E34-R47 IonicContact OE1-NH1 3.12Å; E34-R47 PolarHBondContact OE1-NH1 2.93Å; E34-R47 VanDerWaalsContact OE1-NH1 3.12Å; E34-V107 PolarHBondContact N-O 3.09Å; E34-V107 VanDerWaalsContact N-O 3.12Å; E34-A108 CarbonylContact O-C 3.54Å; E34-A108 WeakPolarHBondContact O-CA 3.44Å; E34-Y109 VanDerWaalsContact C-CE1 3.45Å; E34-Y109 WeakPolarHBondContact O-CD1 3.35Å; E34-Y109 PolarHBondContact O-N 2.85Å
35	K	96.3	Very high	95.9	Very high	49 Å²	49	55.1 Å²	55.1	21%	0.213	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	140.7	178.8	-168	-177	63.7	178.5	0	110.1	M1 S37 S39 I41 D43 Y109	M1-K35 VanDerWaalsContact CE-C 3.45Å; M1-K35 WeakPolarHBondContact CE-O 3.5Å; K35-S37 PolarHBondContact O-N 2.92Å; K35-S39 PolarHBondContact NZ-O 3.24Å; K35-I41 HydrophobicContact CD-CG2 3.67Å; K35-I41 WeakPolarHBondContact CD-O 3.36Å; K35-I41 HydrophobicContact CG-CG2 3.67Å; K35-D43 VanDerWaalsContact CD-OD1 3.32Å; K35-D43 WeakPolarHBondContact CD-OD1 3.1Å; K35-D43 WeakPolarHBondContact CE-OD1 3.01Å; K35-D43 VanDerWaalsContact NZ-CG 3.32Å; K35-D43 IonicContact NZ-OD1 3.66Å; K35-D43 PolarHBondContact NZ-OD1 3.37Å; K35-D43 IonicContact NZ-OD2 3.18Å; K35-D43 PolarHBondContact NZ-OD2 2.94Å; K35-Y109 VanDerWaalsContact CA-CE1 3.5Å; K35-Y109 HydrophobicContact CB-CE1 3.82Å; K35-Y109 HydrophobicContact CB-CE2 4.24Å; K35-Y109 HydrophobicContact CG-CE1 4.46Å; K35-Y109 HydrophobicContact CG-CE2 4.02Å; K35-Y109 VanDerWaalsContact N-CE1 3.34Å
36	V	95.2	Very high	95.6	Very high	9 Å²	9	56.3 Å²	56.3	6%	0.055	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-57.4	127.8	167.9	178.3	0	0	0	0	110.7	M1 G38 S39 F79 A108 Y109 F115	M1-V36 HydrophobicContact CE-CB 4.17Å; M1-V36 HydrophobicContact CE-CG2 3.91Å; V36-G38 PolarHBondContact O-N 3.13Å; V36-S39 WeakPolarHBondContact O-CB 3.43Å; V36-S39 PolarHBondContact O-N 2.71Å; V36-F79 HydrophobicContact CG2-CD2 4.43Å; V36-A108 HydrophobicContact CG2-CB 3.96Å; V36-Y109 PolarHBondContact N-O 3.32Å; V36-F115 HydrophobicContact CG2-CD2 4.43Å; V36-F115 HydrophobicContact CG2-CE2 4.3Å
37	S	91.1	Very high	95.5	Very high	93 Å²	93	56.9 Å²	56.9	65%	0.65	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	130.6	177	-54.1	0	0	0	0	110.1	K35 S39	K35-S37 PolarHBondContact O-N 2.92Å; S37-S39 VanDerWaalsContact C-N 3.27Å; S37-S39 PolarHBondContact O-N 2.53Å
38	G	90	Very high	95.5	Very high	69 Å²	69	53.9 Å²	53.9	71%	0.711	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-12.2	-176.5	0	0	0	0	0	115.3	V36 Q40	V36-G38 PolarHBondContact O-N 3.13Å; G38-Q40 PolarHBondContact O-N 3Å; G38-Q40 PolarHBondContact O-NE2 3.39Å
39	S	93.2	Very high	95.5	Very high	7 Å²	7	50.4 Å²	50.4	5%	0.049	27%	0.271	C	S	.	.			trans	-65.3	136	175.2	-165.4	0	0	0	0	111.4	K35 V36 S37 I41 S110 G111	K35-S39 PolarHBondContact NZ-O 3.24Å; V36-S39 WeakPolarHBondContact O-CB 3.43Å; V36-S39 PolarHBondContact O-N 2.71Å; S37-S39 VanDerWaalsContact C-N 3.27Å; S37-S39 PolarHBondContact O-N 2.53Å; S39-I41 PolarHBondContact O-N 3.24Å; S39-I41 WeakPolarHBondContact OG-CG2 3.43Å; S39-S110 PolarHBondContact OG-OG 3.47Å; S39-G111 PolarHBondContact OG-N 2.87Å
40	Q	92.9	Very high	95.5	Very high	172 Å²	172	52.8 Å²	52.8	80%	0.804	28%	0.283	S	S	*	.			trans	-81.7	-1.2	179	-57.8	-56.5	-59.6	0	0	113.2	G38	G38-Q40 PolarHBondContact O-N 3Å; G38-Q40 PolarHBondContact O-NE2 3.39Å
41	I	95.4	Very high	95.5	Very high	14 Å²	14	52.9 Å²	52.9	7%	0.072	28%	0.284	C	S	.	.	S	Bend	trans	-67.6	149.3	174.9	-161.6	162.5	0	0	0	110.4	K35 S39 I68 L70 I76 Y109	K35-I41 HydrophobicContact CD-CG2 3.67Å; K35-I41 WeakPolarHBondContact CD-O 3.36Å; K35-I41 HydrophobicContact CG-CG2 3.67Å; S39-I41 PolarHBondContact O-N 3.24Å; S39-I41 WeakPolarHBondContact OG-CG2 3.43Å; I41-I68 HydrophobicContact CD1-CD1 3.76Å; I41-I68 HydrophobicContact CG1-CD1 3.78Å; I41-L70 HydrophobicContact CD1-CD1 4.25Å; I41-L70 HydrophobicContact CD1-CD2 3.98Å; I41-L70 HydrophobicContact CG1-CD1 4.15Å; I41-I76 HydrophobicContact CD1-CB 4.25Å; I41-I76 HydrophobicContact CD1-CD1 4.27Å; I41-I76 HydrophobicContact CD1-CG1 4Å; I41-Y109 HydrophobicContact CD1-CD2 4.16Å; I41-Y109 HydrophobicContact CD1-CE2 4.44Å; I41-Y109 HydrophobicContact CG1-CE2 4.39Å; I41-Y109 HydrophobicContact CG2-CD2 3.86Å; I41-Y109 HydrophobicContact CG2-CE2 3.63Å
42	V	95.6	Very high	95.5	Very high	89 Å²	89	55 Å²	55	54%	0.539	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-64.2	141	-178.9	176.8	0	0	0	0	110.3	Y109	V42-Y109 PolarHBondContact O-OH 3Å; V42-Y109 VanDerWaalsContact O-OH 3.12Å
43	D	94.8	Very high	95.5	Very high	101 Å²	101	56.4 Å²	56.4	54%	0.54	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-68.4	152.6	176.6	-78.2	-60	0	0	0	112.9	K35 Y109	K35-D43 VanDerWaalsContact CD-OD1 3.32Å; K35-D43 WeakPolarHBondContact CD-OD1 3.1Å; K35-D43 WeakPolarHBondContact CE-OD1 3.01Å; K35-D43 VanDerWaalsContact NZ-CG 3.32Å; K35-D43 IonicContact NZ-OD1 3.66Å; K35-D43 PolarHBondContact NZ-OD1 3.37Å; K35-D43 IonicContact NZ-OD2 3.18Å; K35-D43 PolarHBondContact NZ-OD2 2.94Å; D43-Y109 WeakPolarHBondContact CA-OH 3.31Å
44	I	95.3	Very high	95.5	Very high	19 Å²	19	62.1 Å²	62.1	10%	0.097	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-94.7	132.9	179.6	-158.5	165.7	0	0	0	109	V33 K46 Y49 I64 R67 I68 Y109	V33-I44 HydrophobicContact CG1-CD1 4.06Å; I44-K46 VanDerWaalsContact C-N 3.31Å; I44-K46 PolarHBondContact O-N 3.49Å; I44-Y49 HydrophobicContact CD1-CE2 3.97Å; I44-Y49 WeakPolarHBondContact CD1-OH 3.47Å; I44-Y49 WeakPolarHBondContact CG1-OH 3.46Å; I44-I64 HydrophobicContact CD1-CD1 3.93Å; I44-I64 HydrophobicContact CD1-CG2 4.09Å; I44-R67 HydrophobicContact CD1-CB 4.37Å; I44-R67 HydrophobicContact CD1-CG 4.18Å; I44-R67 HydrophobicContact CG1-CB 4.44Å; I44-R67 HydrophobicContact CG1-CG 3.87Å; I44-I68 HydrophobicContact CB-CG2 3.86Å; I44-I68 HydrophobicContact CD1-CG2 4.31Å; I44-I68 HydrophobicContact CG1-CG2 3.87Å; I44-Y109 HydrophobicContact CB-CE1 4.21Å; I44-Y109 HydrophobicContact CG2-CE1 4Å; I44-Y109 PolarHBondContact N-OH 3.16Å
45	D	91.9	Very high	95.5	Very high	117 Å²	117	63 Å²	63	63%	0.626	34%	0.342	S	S	*	.	S	Bend	trans	-69	-30.4	-176.6	68.8	-36.6	0	0	0	112.8	R67	D45-R67 WeakPolarHBondContact OD1-CG 3.49Å; D45-R67 IonicContact OD1-CZ 3.49Å; D45-R67 IonicContact OD1-NE 2.74Å; D45-R67 PolarHBondContact OD1-NE 3.12Å; D45-R67 IonicContact OD1-NH2 3.45Å; D45-R67 PolarHBondContact OD1-NH2 2.93Å; D45-R67 IonicContact OD2-CZ 3.29Å; D45-R67 VanDerWaalsContact OD2-CZ 3.29Å; D45-R67 IonicContact OD2-NE 3.35Å; D45-R67 PolarHBondContact OD2-NE 3.33Å; D45-R67 IonicContact OD2-NH2 2.65Å; D45-R67 PolarHBondContact OD2-NH2 2.96Å
46	K	92.8	Very high	95.6	Very high	115 Å²	115	62.3 Å²	62.3	50%	0.5	34%	0.343	S	S	.	.			trans	-126.5	125.1	179.7	-169.1	175.8	-174.7	-178.6	0	110	I44 K48 Y49	I44-K46 VanDerWaalsContact C-N 3.31Å; I44-K46 PolarHBondContact O-N 3.49Å; K46-K48 VanDerWaalsContact CE-O 3.24Å; K46-K48 WeakPolarHBondContact CE-O 3.04Å; K46-Y49 WeakPolarHBondContact O-CE2 3.43Å; K46-Y49 PolarHBondContact O-OH 2.85Å
47	R	95.4	Very high	95.8	Very high	91 Å²	91	62.1 Å²	62.1	34%	0.343	34%	0.342	S	S	.	.			trans	-87.3	-26	179.5	-64.1	-177.3	-85.5	157.5	-4.5	113.6	M4 D8 I32 V33 E34	M4-R47 VanDerWaalsContact CB-NH1 3.33Å; D8-R47 IonicContact OD2-CZ 3.45Å; D8-R47 IonicContact OD2-NH1 3.03Å; D8-R47 PolarHBondContact OD2-NH1 3.02Å; D8-R47 IonicContact OD2-NH2 2.87Å; D8-R47 PolarHBondContact OD2-NH2 2.78Å; I32-R47 CarbonylContact C-O 3.23Å; I32-R47 WeakPolarHBondContact CA-O 3.28Å; V33-R47 PolarHBondContact N-O 3.29Å; V33-R47 WeakPolarHBondContact O-CA 3.42Å; E34-R47 HydrophobicContact CG-CG 4.33Å; E34-R47 WeakPolarHBondContact OE1-CD 3.49Å; E34-R47 IonicContact OE1-NH1 3.12Å; E34-R47 PolarHBondContact OE1-NH1 2.93Å; E34-R47 VanDerWaalsContact OE1-NH1 3.12Å
48	K	97.5	Very high	96.1	Very high	65 Å²	65	59.6 Å²	59.6	28%	0.283	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	123.6	-172.4	-60.9	174	68.8	166.5	0	111.9	F5 E17 I32 K46	F5-K48 HydrophobicContact CD2-CD 4.44Å; F5-K48 HydrophobicContact CE2-CD 3.7Å; F5-K48 HydrophobicContact CE2-CG 4.09Å; F5-K48 HydrophobicContact CZ-CD 4.4Å; E17-K48 WeakPolarHBondContact OE1-CE 3.3Å; E17-K48 IonicContact OE1-NZ 2.6Å; E17-K48 PolarHBondContact OE1-NZ 2.82Å; E17-K48 IonicContact OE2-NZ 2.73Å; E17-K48 PolarHBondContact OE2-NZ 2.83Å; I32-K48 HydrophobicContact CD1-CB 4.43Å; I32-K48 HydrophobicContact CD1-CG 3.7Å; K46-K48 VanDerWaalsContact CE-O 3.24Å; K46-K48 WeakPolarHBondContact CE-O 3.04Å
49	Y	98.3	Very high	96.5	Very high	35 Å²	35	61.1 Å²	61.1	14%	0.137	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	148.5	179.2	-67	-93.3	0	0	0	111.4	P30 V31 V33 I44 K46 I64 R67	P30-Y49 WeakPolarHBondContact CA-O 3.38Å; V31-Y49 PolarHBondContact N-O 2.8Å; V31-Y49 PolarHBondContact O-N 2.99Å; V33-Y49 HydrophobicContact CB-CD2 4.07Å; V33-Y49 HydrophobicContact CB-CE2 3.91Å; V33-Y49 HydrophobicContact CG2-CD2 3.52Å; V33-Y49 HydrophobicContact CG2-CE2 3.79Å; V33-Y49 HydrophobicContact CG2-CG 4.48Å; I44-Y49 HydrophobicContact CD1-CE2 3.97Å; I44-Y49 WeakPolarHBondContact CD1-OH 3.47Å; I44-Y49 WeakPolarHBondContact CG1-OH 3.46Å; K46-Y49 WeakPolarHBondContact O-CE2 3.43Å; K46-Y49 PolarHBondContact O-OH 2.85Å; Y49-I64 HydrophobicContact CE1-CD1 4.4Å; Y49-I64 HydrophobicContact CE2-CD1 4.18Å; Y49-R67 WeakPolarHBondContact OH-CG 3.38Å
50	L	98.3	Very high	96.8	Very high	49 Å²	49	60.9 Å²	60.9	26%	0.257	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	98.8	170.3	-173.7	67.3	0	0	0	108.1	I21 Y25 R28 P30	I21-L50 HydrophobicContact CD1-CD2 4.15Å; I21-L50 HydrophobicContact CG1-CD1 3.87Å; I21-L50 HydrophobicContact CG1-CD2 3.92Å; I21-L50 HydrophobicContact CG1-CG 4.48Å; Y25-L50 HydrophobicContact CD2-CD2 3.44Å; Y25-L50 VanDerWaalsContact CD2-CD2 3.44Å; Y25-L50 HydrophobicContact CE2-CD2 3.97Å; Y25-L50 HydrophobicContact CG-CD2 3.81Å; R28-L50 HydrophobicContact CB-CD1 3.68Å; R28-L50 HydrophobicContact CB-CD2 4.35Å; R28-L50 HydrophobicContact CB-CG 3.71Å; R28-L50 HydrophobicContact CG-CG 4.36Å; R28-L50 PolarHBondContact NH1-O 3.12Å; P30-L50 HydrophobicContact CB-CD1 4.46Å
51	V	98.2	Very high	97	Very high	6 Å²	6	55.5 Å²	55.5	4%	0.036	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	136.2	-163.1	-171.8	0	0	0	0	109.6	R28 V29 V31 S53 I55 F60 M91	R28-V51 CarbonylContact C-O 3.6Å; R28-V51 WeakPolarHBondContact CA-O 3.45Å; R28-V51 WeakPolarHBondContact CB-O 3.46Å; V29-V51 HydrophobicContact CG2-CB 3.94Å; V29-V51 PolarHBondContact N-O 3.03Å; V29-V51 PolarHBondContact O-N 3.42Å; V31-V51 HydrophobicContact CB-CG2 4.3Å; V31-V51 HydrophobicContact CG2-CB 4.33Å; V31-V51 HydrophobicContact CG2-CG2 3.77Å; V51-S53 PolarHBondContact O-N 2.87Å; V51-I55 HydrophobicContact CG1-CD1 3.31Å; V51-I55 HydrophobicContact CG1-CG1 3.68Å; V51-F60 HydrophobicContact CG1-CD2 3.95Å; V51-F60 HydrophobicContact CG1-CE2 4.39Å; V51-F60 HydrophobicContact CG2-CD2 3.93Å; V51-F60 HydrophobicContact CG2-CE2 3.51Å; V51-F60 HydrophobicContact CG2-CZ 4.32Å; V51-M91 HydrophobicContact CG1-CB 4.33Å; V51-M91 HydrophobicContact CG1-CG 4Å
52	P	98.6	Very high	97.1	Very high	44 Å²	44	62 Å²	62	29%	0.286	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	137.9	171.7	-22.8	34.2	0	0	0	111.5	D54 I55	P52-D54 WeakPolarHBondContact CB-OD1 3.39Å; P52-D54 PolarHBondContact O-N 2.89Å; P52-I55 HydrophobicContact CB-CG2 4.22Å; P52-I55 HydrophobicContact CG-CG2 4.49Å
53	S	98.4	Very high	97.2	Very high	29 Å²	29	61 Å²	61	20%	0.203	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.5	-176.2	-62.3	0	0	0	0	113.6	D27 V51 T90 G92	D27-S53 VanDerWaalsContact C-OG 3.28Å; D27-S53 PolarHBondContact O-N 3.08Å; D27-S53 PolarHBondContact O-OG 3.26Å; D27-S53 VanDerWaalsContact O-OG 3.07Å; V51-S53 PolarHBondContact O-N 2.87Å; S53-T90 WeakPolarHBondContact O-CB 3.09Å; S53-G92 PolarHBondContact O-N 3.37Å
54	D	97.9	Very high	97.3	Very high	120 Å²	120	56.1 Å²	56.1	64%	0.642	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-19.3	-173	63.3	-27.8	0	0	0	114.3	P52	P52-D54 WeakPolarHBondContact CB-OD1 3.39Å; P52-D54 PolarHBondContact O-N 2.89Å
55	I	98.5	Very high	97.4	Very high	29 Å²	29	57.5 Å²	57.5	15%	0.149	28%	0.281	C	S	.	.	S	Bend	trans	-70.3	148.3	176.7	74.2	166.5	0	0	0	110.7	V51 P52 Q59 F60 I63 T90 M91	V51-I55 HydrophobicContact CG1-CD1 3.31Å; V51-I55 HydrophobicContact CG1-CG1 3.68Å; P52-I55 HydrophobicContact CB-CG2 4.22Å; P52-I55 HydrophobicContact CG-CG2 4.49Å; I55-Q59 VanDerWaalsContact CA-OE1 3.25Å; I55-Q59 HydrophobicContact CB-CB 4.21Å; I55-F60 HydrophobicContact CD1-CB 4.15Å; I55-I63 HydrophobicContact CD1-CD1 3.74Å; I55-T90 CarbonylContact O-C 3.56Å; I55-T90 VanDerWaalsContact O-CA 3.31Å; I55-T90 WeakPolarHBondContact O-CA 3.46Å; I55-M91 HydrophobicContact CD1-CG 4.41Å; I55-M91 HydrophobicContact CG1-CB 4.45Å; I55-M91 HydrophobicContact CG1-CG 3.8Å; I55-M91 WeakPolarHBondContact O-CG 3.48Å; I55-M91 PolarHBondContact O-N 2.64Å
56	T	98.8	Very high	97.6	Very high	35 Å²	35	58.1 Å²	58.1	22%	0.215	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-79.5	160	178.1	65.9	0	0	0	0	112.3	A58 Q59 F60 L89	T56-A58 PolarHBondContact O-N 2.76Å; T56-Q59 WeakPolarHBondContact O-CB 3.18Å; T56-Q59 PolarHBondContact O-N 3.11Å; T56-Q59 VanDerWaalsContact O-N 3.08Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.41Å; T56-Q59 PolarHBondContact OG1-N 3.15Å; T56-Q59 PolarHBondContact OG1-OE1 3.19Å; T56-F60 PolarHBondContact O-N 3.06Å; T56-L89 CarbonylContact C-O 3.49Å; T56-L89 VanDerWaalsContact CA-O 3.22Å; T56-L89 WeakPolarHBondContact CA-O 3.4Å
57	V	98.6	Very high	97.8	Very high	6 Å²	6	58.2 Å²	58.2	4%	0.036	28%	0.275	C	S	.	.	H	α-helix	trans	-54.4	-38.3	169.4	170.4	0	0	0	0	111.1	F60 M61 L78 P85 L89 M91 L94	V57-F60 PolarHBondContact O-N 3.3Å; V57-M61 WeakPolarHBondContact O-CB 3.36Å; V57-M61 PolarHBondContact O-N 2.95Å; V57-L78 HydrophobicContact CG1-CD1 4.42Å; V57-P85 HydrophobicContact CG1-CB 4.34Å; V57-P85 HydrophobicContact CG1-CG 3.85Å; V57-P85 HydrophobicContact CG2-CB 4.44Å; V57-L89 HydrophobicContact CG2-CB 4.27Å; V57-L89 WeakPolarHBondContact CG2-O 3.32Å; V57-L89 PolarHBondContact N-O 2.72Å; V57-M91 HydrophobicContact CG2-SD 4.1Å; V57-L94 HydrophobicContact CG2-CD2 3.67Å
58	A	98.3	Very high	97.9	Very high	40 Å²	40	54.5 Å²	54.5	33%	0.331	26%	0.262	S	S	.	.	H	α-helix	trans	-61.3	-44.8	175.1	0	0	0	0	0	112.6	T56 M61 W62 S87	T56-A58 PolarHBondContact O-N 2.76Å; A58-M61 PolarHBondContact O-N 3.4Å; A58-W62 PolarHBondContact O-N 2.91Å; A58-S87 WeakPolarHBondContact CB-O 3.47Å; A58-S87 PolarHBondContact N-O 3.45Å
59	Q	98.5	Very high	97.8	Very high	100 Å²	100	59.7 Å²	59.7	47%	0.467	29%	0.287	S	S	.	.	H	α-helix	trans	-65.7	-40.5	176.4	-72	168.7	-35	0	0	111.1	I55 T56 W62 I63	I55-Q59 VanDerWaalsContact CA-OE1 3.25Å; I55-Q59 HydrophobicContact CB-CB 4.21Å; T56-Q59 WeakPolarHBondContact O-CB 3.18Å; T56-Q59 PolarHBondContact O-N 3.11Å; T56-Q59 VanDerWaalsContact O-N 3.08Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.41Å; T56-Q59 PolarHBondContact OG1-N 3.15Å; T56-Q59 PolarHBondContact OG1-OE1 3.19Å; Q59-W62 WeakPolarHBondContact O-CB 2.91Å; Q59-W62 PolarHBondContact O-N 2.97Å; Q59-I63 WeakPolarHBondContact O-CG1 3.41Å; Q59-I63 PolarHBondContact O-N 3.38Å
60	F	98.4	Very high	97.8	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.009	29%	0.285	C	S	.	.	H	α-helix	trans	-63	-44.6	175	-176.3	-116.5	0	0	0	112.3	V31 V33 V51 I55 T56 V57 W62 I63 I64 L78 M91 V107	V31-F60 HydrophobicContact CB-CZ 4.44Å; V31-F60 HydrophobicContact CG1-CE1 4.22Å; V31-F60 HydrophobicContact CG1-CZ 3.9Å; V33-F60 HydrophobicContact CG2-CE1 4.25Å; V33-F60 HydrophobicContact CG2-CZ 3.69Å; V51-F60 HydrophobicContact CG1-CD2 3.95Å; V51-F60 HydrophobicContact CG1-CE2 4.39Å; V51-F60 HydrophobicContact CG2-CD2 3.93Å; V51-F60 HydrophobicContact CG2-CE2 3.51Å; V51-F60 HydrophobicContact CG2-CZ 4.32Å; I55-F60 HydrophobicContact CD1-CB 4.15Å; T56-F60 PolarHBondContact O-N 3.06Å; V57-F60 PolarHBondContact O-N 3.3Å; F60-W62 PolarHBondContact O-N 3.31Å; F60-I63 WeakPolarHBondContact O-CA 3.4Å; F60-I63 WeakPolarHBondContact O-CB 3.41Å; F60-I63 PolarHBondContact O-N 2.99Å; F60-I64 HydrophobicContact CD1-CG1 4.45Å; F60-I64 HydrophobicContact CE1-CD1 4.36Å; F60-I64 HydrophobicContact CE1-CG1 4.08Å; F60-I64 HydrophobicContact CE2-CD1 4Å; F60-I64 HydrophobicContact CE2-CG1 4.32Å; F60-I64 HydrophobicContact CZ-CD1 3.81Å; F60-I64 HydrophobicContact CZ-CG1 4.02Å; F60-I64 WeakPolarHBondContact O-CG1 3.42Å; F60-I64 PolarHBondContact O-N 3.03Å; F60-L78 HydrophobicContact CD1-CD1 3.93Å; F60-L78 HydrophobicContact CE1-CD1 4.45Å; F60-M91 HydrophobicContact CB-CE 4.42Å; F60-M91 HydrophobicContact CB-CG 4.06Å; F60-M91 HydrophobicContact CB-SD 3.65Å; F60-M91 HydrophobicContact CD1-CE 3.66Å; F60-M91 HydrophobicContact CD1-SD 3.79Å; F60-M91 HydrophobicContact CD2-CE 4.34Å; F60-M91 HydrophobicContact CE1-CE 3.92Å; F60-M91 HydrophobicContact CG-CE 3.88Å; F60-M91 HydrophobicContact CG-CG 4.41Å; F60-M91 HydrophobicContact CG-SD 3.76Å; F60-M91 HydrophobicContact CZ-CE 4.37Å; F60-V107 HydrophobicContact CE1-CB 4.5Å; F60-V107 HydrophobicContact CE1-CG1 4.32Å; F60-V107 HydrophobicContact CE1-CG2 4.27Å
61	M	97.8	Very high	97.6	Very high	59 Å²	59	59 Å²	59	29%	0.291	29%	0.29	S	S	.	.	H	α-helix	trans	-57	-38.7	173.6	-176.2	177	66.4	0	0	111.9	V57 A58 I64 R65 I76 L78	V57-M61 WeakPolarHBondContact O-CB 3.36Å; V57-M61 PolarHBondContact O-N 2.95Å; A58-M61 PolarHBondContact O-N 3.4Å; M61-I64 PolarHBondContact O-N 3.04Å; M61-R65 WeakPolarHBondContact O-CB 3.02Å; M61-R65 PolarHBondContact O-N 3.43Å; M61-I76 HydrophobicContact CG-CG2 3.87Å; M61-I76 HydrophobicContact SD-CG2 4.12Å; M61-L78 HydrophobicContact CB-CD1 3.75Å; M61-L78 HydrophobicContact CB-CG 4.18Å; M61-L78 HydrophobicContact CG-CD1 4.25Å; M61-L78 HydrophobicContact CG-CG 4.13Å
62	W	97.3	Very high	97.4	Very high	152 Å²	152	63.9 Å²	63.9	58%	0.576	32%	0.324	S	S	*	.	H	α-helix	trans	-65	-39.8	174.4	-176.7	90.5	0	0	0	112.5	A58 Q59 F60 R65 K66	A58-W62 PolarHBondContact O-N 2.91Å; Q59-W62 WeakPolarHBondContact O-CB 2.91Å; Q59-W62 PolarHBondContact O-N 2.97Å; F60-W62 PolarHBondContact O-N 3.31Å; W62-R65 PolarHBondContact O-N 2.83Å; W62-K66 HydrophobicContact CD2-CG 4.05Å; W62-K66 HydrophobicContact CE3-CG 4.22Å; W62-K66 HydrophobicContact CH2-CG 4.1Å; W62-K66 HydrophobicContact CZ2-CD 4.23Å; W62-K66 HydrophobicContact CZ2-CG 3.92Å; W62-K66 HydrophobicContact CZ3-CG 4.24Å; W62-K66 WeakPolarHBondContact O-CG 3.4Å; W62-K66 PolarHBondContact O-N 2.88Å
63	I	97.2	Very high	97.2	Very high	66 Å²	66	68.9 Å²	68.9	34%	0.338	34%	0.343	S	S	.	.	H	α-helix	trans	-60.1	-47.2	173.9	-66	167.6	0	0	0	110.5	I55 Q59 F60 K66 R67	I55-I63 HydrophobicContact CD1-CD1 3.74Å; Q59-I63 WeakPolarHBondContact O-CG1 3.41Å; Q59-I63 PolarHBondContact O-N 3.38Å; F60-I63 WeakPolarHBondContact O-CA 3.4Å; F60-I63 WeakPolarHBondContact O-CB 3.41Å; F60-I63 PolarHBondContact O-N 2.99Å; I63-K66 PolarHBondContact O-N 3.33Å; I63-R67 PolarHBondContact O-N 3.28Å
64	I	97.8	Very high	97	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-61.6	-48.5	178.1	-60.3	-50.2	0	0	0	110.6	V33 I44 Y49 F60 M61 K66 R67 I68 I76 Y109	V33-I64 HydrophobicContact CG1-CD1 4.11Å; V33-I64 HydrophobicContact CG2-CD1 4.05Å; I44-I64 HydrophobicContact CD1-CD1 3.93Å; I44-I64 HydrophobicContact CD1-CG2 4.09Å; Y49-I64 HydrophobicContact CE1-CD1 4.4Å; Y49-I64 HydrophobicContact CE2-CD1 4.18Å; F60-I64 HydrophobicContact CD1-CG1 4.45Å; F60-I64 HydrophobicContact CE1-CD1 4.36Å; F60-I64 HydrophobicContact CE1-CG1 4.08Å; F60-I64 HydrophobicContact CE2-CD1 4Å; F60-I64 HydrophobicContact CE2-CG1 4.32Å; F60-I64 HydrophobicContact CZ-CD1 3.81Å; F60-I64 HydrophobicContact CZ-CG1 4.02Å; F60-I64 WeakPolarHBondContact O-CG1 3.42Å; F60-I64 PolarHBondContact O-N 3.03Å; M61-I64 PolarHBondContact O-N 3.04Å; I64-K66 VanDerWaalsContact C-N 3.3Å; I64-K66 PolarHBondContact O-N 3.23Å; I64-R67 WeakPolarHBondContact O-CB 3.36Å; I64-R67 PolarHBondContact O-N 2.81Å; I64-I68 WeakPolarHBondContact O-CG1 3.36Å; I64-I68 PolarHBondContact O-N 3.25Å; I64-I76 HydrophobicContact CB-CD1 4.5Å; I64-I76 HydrophobicContact CG2-CD1 3.88Å; I64-Y109 HydrophobicContact CG2-CG 4.49Å
65	R	97	Very high	96.9	Very high	47 Å²	47	69.9 Å²	69.9	18%	0.177	35%	0.347	C	S	.	.	H	α-helix	trans	-52.2	-47.2	175.3	175.4	-174.6	-85.1	-85.3	7.4	111.9	M61 W62 R67 Q69 L70 P71 S72 K74	M61-R65 WeakPolarHBondContact O-CB 3.02Å; M61-R65 PolarHBondContact O-N 3.43Å; W62-R65 PolarHBondContact O-N 2.83Å; R65-R67 VanDerWaalsContact C-N 3.34Å; R65-Q69 PolarHBondContact O-N 3.21Å; R65-L70 HydrophobicContact CG-CB 4.06Å; R65-L70 HydrophobicContact CG-CD2 4.49Å; R65-L70 WeakPolarHBondContact CG-O 3.49Å; R65-L70 PolarHBondContact NH1-O 3.46Å; R65-L70 PolarHBondContact O-N 2.93Å; R65-P71 VanDerWaalsContact NH1-C 3.3Å; R65-P71 PolarHBondContact NH1-O 3.18Å; R65-S72 VanDerWaalsContact NH1-CA 3.28Å; R65-K74 PolarHBondContact NH1-O 3.29Å; R65-K74 PolarHBondContact NH2-O 2.83Å
66	K	96.4	Very high	96.8	Very high	130 Å²	130	68.9 Å²	68.9	57%	0.565	34%	0.342	S	S	*	.	H	α-helix	trans	-65.1	-38	177.8	-74	-66.3	-174	-178.3	0	111.9	W62 I63 I64 Q69	W62-K66 HydrophobicContact CD2-CG 4.05Å; W62-K66 HydrophobicContact CE3-CG 4.22Å; W62-K66 HydrophobicContact CH2-CG 4.1Å; W62-K66 HydrophobicContact CZ2-CD 4.23Å; W62-K66 HydrophobicContact CZ2-CG 3.92Å; W62-K66 HydrophobicContact CZ3-CG 4.24Å; W62-K66 WeakPolarHBondContact O-CG 3.4Å; W62-K66 PolarHBondContact O-N 2.88Å; I63-K66 PolarHBondContact O-N 3.33Å; I64-K66 VanDerWaalsContact C-N 3.3Å; I64-K66 PolarHBondContact O-N 3.23Å; K66-Q69 PolarHBondContact O-N 3.08Å; K66-Q69 VanDerWaalsContact O-N 3.16Å
67	R	96.8	Very high	96.7	Very high	117 Å²	117	70.1 Å²	70.1	44%	0.442	35%	0.345	S	S	.	.	H	α-helix	trans	-62.9	-45.2	179.7	-167.5	71.9	175.6	178.8	3.8	112.5	I44 D45 Y49 I63 I64 R65 Q69	I44-R67 HydrophobicContact CD1-CB 4.37Å; I44-R67 HydrophobicContact CD1-CG 4.18Å; I44-R67 HydrophobicContact CG1-CB 4.44Å; I44-R67 HydrophobicContact CG1-CG 3.87Å; D45-R67 WeakPolarHBondContact OD1-CG 3.49Å; D45-R67 IonicContact OD1-CZ 3.49Å; D45-R67 IonicContact OD1-NE 2.74Å; D45-R67 PolarHBondContact OD1-NE 3.12Å; D45-R67 IonicContact OD1-NH2 3.45Å; D45-R67 PolarHBondContact OD1-NH2 2.93Å; D45-R67 IonicContact OD2-CZ 3.29Å; D45-R67 VanDerWaalsContact OD2-CZ 3.29Å; D45-R67 IonicContact OD2-NE 3.35Å; D45-R67 PolarHBondContact OD2-NE 3.33Å; D45-R67 IonicContact OD2-NH2 2.65Å; D45-R67 PolarHBondContact OD2-NH2 2.96Å; Y49-R67 WeakPolarHBondContact OH-CG 3.38Å; I63-R67 PolarHBondContact O-N 3.28Å; I64-R67 WeakPolarHBondContact O-CB 3.36Å; I64-R67 PolarHBondContact O-N 2.81Å; R65-R67 VanDerWaalsContact C-N 3.34Å; R67-Q69 PolarHBondContact O-N 2.88Å
68	I	96.8	Very high	96.6	Very high	13 Å²	13	70.1 Å²	70.1	7%	0.067	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	7.6	177.3	63.2	162.2	0	0	0	113.1	I41 I44 I64 L70 I76 Y109	I41-I68 HydrophobicContact CD1-CD1 3.76Å; I41-I68 HydrophobicContact CG1-CD1 3.78Å; I44-I68 HydrophobicContact CB-CG2 3.86Å; I44-I68 HydrophobicContact CD1-CG2 4.31Å; I44-I68 HydrophobicContact CG1-CG2 3.87Å; I64-I68 WeakPolarHBondContact O-CG1 3.36Å; I64-I68 PolarHBondContact O-N 3.25Å; I68-L70 HydrophobicContact CD1-CB 3.73Å; I68-L70 HydrophobicContact CD1-CD1 4.37Å; I68-L70 HydrophobicContact CD1-CD2 4.26Å; I68-L70 HydrophobicContact CD1-CG 4.35Å; I68-L70 HydrophobicContact CG1-CB 3.78Å; I68-L70 PolarHBondContact O-N 2.86Å; I68-L70 VanDerWaalsContact O-N 3.15Å; I68-I76 HydrophobicContact CD1-CD1 4.14Å; I68-Y109 HydrophobicContact CD1-CE2 4.25Å
69	Q	96.8	Very high	96.5	Very high	174 Å²	174	68.5 Å²	68.5	81%	0.813	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	37.3	-179.4	-55.5	179.6	41.4	0	0	113.2	R65 K66 R67 P71	R65-Q69 PolarHBondContact O-N 3.21Å; K66-Q69 PolarHBondContact O-N 3.08Å; K66-Q69 VanDerWaalsContact O-N 3.16Å; R67-Q69 PolarHBondContact O-N 2.88Å; Q69-P71 WeakPolarHBondContact O-CD 3.5Å
70	L	96.8	Very high	96.4	Very high	18 Å²	18	63.9 Å²	63.9	9%	0.094	31%	0.309	C	S	.	.			trans	-76.9	121.1	-174.1	-175.7	79.6	0	0	0	110.9	I41 R65 I68 K74 I76	I41-L70 HydrophobicContact CD1-CD1 4.25Å; I41-L70 HydrophobicContact CD1-CD2 3.98Å; I41-L70 HydrophobicContact CG1-CD1 4.15Å; R65-L70 HydrophobicContact CG-CB 4.06Å; R65-L70 HydrophobicContact CG-CD2 4.49Å; R65-L70 WeakPolarHBondContact CG-O 3.49Å; R65-L70 PolarHBondContact NH1-O 3.46Å; R65-L70 PolarHBondContact O-N 2.93Å; I68-L70 HydrophobicContact CD1-CB 3.73Å; I68-L70 HydrophobicContact CD1-CD1 4.37Å; I68-L70 HydrophobicContact CD1-CD2 4.26Å; I68-L70 HydrophobicContact CD1-CG 4.35Å; I68-L70 HydrophobicContact CG1-CB 3.78Å; I68-L70 PolarHBondContact O-N 2.86Å; I68-L70 VanDerWaalsContact O-N 3.15Å; L70-K74 HydrophobicContact CD1-CB 3.67Å; L70-K74 HydrophobicContact CD1-CD 3.79Å; L70-K74 HydrophobicContact CD1-CG 4.33Å; L70-K74 HydrophobicContact CD2-CB 4.2Å; L70-K74 HydrophobicContact CG-CB 3.86Å; L70-I76 HydrophobicContact CD2-CB 3.77Å; L70-I76 HydrophobicContact CD2-CG2 4.24Å
71	P	95.7	Very high	96.2	Very high	53 Å²	53	69.5 Å²	69.5	34%	0.344	34%	0.339	S	S	.	.			trans	-56.9	145.7	178	-25.4	35.3	0	0	0	113	R65 Q69 E73 K74	R65-P71 VanDerWaalsContact NH1-C 3.3Å; R65-P71 PolarHBondContact NH1-O 3.18Å; Q69-P71 WeakPolarHBondContact O-CD 3.5Å; P71-E73 HydrophobicContact CB-CG 4.34Å; P71-E73 WeakPolarHBondContact CB-OE1 3.48Å; P71-E73 WeakPolarHBondContact CB-OE2 3.31Å; P71-E73 PolarHBondContact O-N 3.12Å; P71-E73 VanDerWaalsContact O-N 3.12Å; P71-K74 PolarHBondContact O-N 2.98Å
72	S	93.3	Very high	95.8	Very high	108 Å²	108	73.3 Å²	73.3	76%	0.755	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-33.4	-174.4	37.2	0	0	0	0	114.1	R65 K74	R65-S72 VanDerWaalsContact NH1-CA 3.28Å; S72-K74 VanDerWaalsContact C-N 3.33Å
73	E	94.3	Very high	95.6	Very high	148 Å²	148	70 Å²	70	69%	0.692	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-21.3	-179.2	67	-83.8	-166.6	0	0	113.7	P71	P71-E73 HydrophobicContact CB-CG 4.34Å; P71-E73 WeakPolarHBondContact CB-OE1 3.48Å; P71-E73 WeakPolarHBondContact CB-OE2 3.31Å; P71-E73 PolarHBondContact O-N 3.12Å; P71-E73 VanDerWaalsContact O-N 3.12Å
74	K	95	Very high	95.5	Very high	121 Å²	121	70.7 Å²	70.7	53%	0.526	36%	0.357	S	S	.	.	S	Bend	trans	-85.2	136.7	176.1	-66.7	-167.3	178.6	-175.8	0	110.3	R65 L70 P71 S72	R65-K74 PolarHBondContact NH1-O 3.29Å; R65-K74 PolarHBondContact NH2-O 2.83Å; L70-K74 HydrophobicContact CD1-CB 3.67Å; L70-K74 HydrophobicContact CD1-CD 3.79Å; L70-K74 HydrophobicContact CD1-CG 4.33Å; L70-K74 HydrophobicContact CD2-CB 4.2Å; L70-K74 HydrophobicContact CG-CB 3.86Å; P71-K74 PolarHBondContact O-N 2.98Å; S72-K74 VanDerWaalsContact C-N 3.33Å
75	A	94.3	Very high	95.4	Very high	49 Å²	49	71.2 Å²	71.2	41%	0.405	36%	0.361	S	S	.	.			trans	-74.7	152.3	176.9	0	0	0	0	0	111.8	F77	A75-F77 HydrophobicContact CB-CD2 4.48Å; A75-F77 HydrophobicContact CB-CE2 3.64Å; A75-F77 HydrophobicContact CB-CZ 4.12Å
76	I	96.5	Very high	95.4	Very high	9 Å²	9	75 Å²	75	5%	0.046	38%	0.381	C	S	.	.			trans	-142	135.2	169.1	-174.2	171.4	0	0	0	107.9	I41 M61 I64 I68 L70 Y109 S110	I41-I76 HydrophobicContact CD1-CB 4.25Å; I41-I76 HydrophobicContact CD1-CD1 4.27Å; I41-I76 HydrophobicContact CD1-CG1 4Å; M61-I76 HydrophobicContact CG-CG2 3.87Å; M61-I76 HydrophobicContact SD-CG2 4.12Å; I64-I76 HydrophobicContact CB-CD1 4.5Å; I64-I76 HydrophobicContact CG2-CD1 3.88Å; I68-I76 HydrophobicContact CD1-CD1 4.14Å; L70-I76 HydrophobicContact CD2-CB 3.77Å; L70-I76 HydrophobicContact CD2-CG2 4.24Å; I76-Y109 HydrophobicContact CD1-CD2 4.32Å; I76-S110 WeakPolarHBondContact CA-O 3.33Å
77	F	96.5	Very high	95.4	Very high	61 Å²	61	71.8 Å²	71.8	27%	0.268	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.8	176.5	-59.8	-86.7	0	0	0	108.6	A75 F79 Y109 S110 E112 N113	A75-F77 HydrophobicContact CB-CD2 4.48Å; A75-F77 HydrophobicContact CB-CE2 3.64Å; A75-F77 HydrophobicContact CB-CZ 4.12Å; F77-F79 HydrophobicContact CB-CE2 3.71Å; F77-F79 HydrophobicContact CB-CZ 3.9Å; F77-Y109 WeakPolarHBondContact O-CA 3.31Å; F77-S110 PolarHBondContact N-O 3.18Å; F77-S110 PolarHBondContact O-N 3.18Å; F77-E112 VanDerWaalsContact CD2-O 3.31Å; F77-E112 WeakPolarHBondContact CD2-O 3.21Å; F77-N113 HydrophobicContact CD1-CB 3.8Å; F77-N113 HydrophobicContact CD2-CB 4.1Å; F77-N113 HydrophobicContact CE1-CB 3.59Å; F77-N113 HydrophobicContact CE2-CB 3.9Å; F77-N113 HydrophobicContact CG-CB 4.06Å; F77-N113 HydrophobicContact CZ-CB 3.65Å
78	L	97.3	Very high	95.5	Very high	6 Å²	6	70 Å²	70	3%	0.031	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	146.6	170.6	-58.8	-173.6	0	0	0	108.9	V57 F60 M61 P85 V107 A108	V57-L78 HydrophobicContact CG1-CD1 4.42Å; F60-L78 HydrophobicContact CD1-CD1 3.93Å; F60-L78 HydrophobicContact CE1-CD1 4.45Å; M61-L78 HydrophobicContact CB-CD1 3.75Å; M61-L78 HydrophobicContact CB-CG 4.18Å; M61-L78 HydrophobicContact CG-CD1 4.25Å; M61-L78 HydrophobicContact CG-CG 4.13Å; L78-P85 HydrophobicContact CB-CG 4.5Å; L78-P85 VanDerWaalsContact O-CD 3.31Å; L78-P85 WeakPolarHBondContact O-CD 3.19Å; L78-V107 HydrophobicContact CB-CG1 4Å; L78-V107 HydrophobicContact CD1-CG1 4.25Å; L78-V107 HydrophobicContact CD2-CG1 4.05Å; L78-V107 HydrophobicContact CG-CG1 4.33Å; L78-A108 CarbonylContact C-O 3.5Å; L78-A108 WeakPolarHBondContact CA-O 3.23Å
79	F	96.9	Very high	95.5	Very high	5 Å²	5	71.6 Å²	71.6	2%	0.022	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	134.9	176.4	-58	-92.4	0	0	0	110.4	V36 F77 T83 V84 V107 A108 E112 F115	V36-F79 HydrophobicContact CG2-CD2 4.43Å; F77-F79 HydrophobicContact CB-CE2 3.71Å; F77-F79 HydrophobicContact CB-CZ 3.9Å; F79-T83 CarbonylContact C-O 3.54Å; F79-T83 VanDerWaalsContact CA-O 3.23Å; F79-T83 WeakPolarHBondContact CA-O 3.42Å; F79-V84 HydrophobicContact CD1-CG2 3.92Å; F79-V84 HydrophobicContact CE1-CG2 3.66Å; F79-V84 HydrophobicContact CZ-CG2 4.34Å; F79-V107 CarbonylContact O-C 3.47Å; F79-V107 WeakPolarHBondContact O-CA 3.34Å; F79-A108 HydrophobicContact CB-CB 4.22Å; F79-A108 PolarHBondContact N-O 2.84Å; F79-A108 PolarHBondContact O-N 3.13Å; F79-E112 WeakPolarHBondContact CZ-O 3.49Å; F79-F115 HydrophobicContact CB-CD2 3.89Å; F79-F115 HydrophobicContact CB-CE2 4.09Å; F79-F115 HydrophobicContact CD1-CB 4.27Å; F79-F115 AromaticContact CD1-CD2 3.92Å; F79-F115 HydrophobicContact CD1-CD2 3.92Å; F79-F115 HydrophobicContact CD2-CD2 4.22Å; F79-F115 HydrophobicContact CE1-CB 4.22Å; F79-F115 AromaticContact CG-CD2 3.75Å; F79-F115 HydrophobicContact CG-CD2 3.75Å; F79-F115 HydrophobicContact CG-CE2 4.39Å
80	V	96.6	Very high	95.6	Very high	4 Å²	4	65 Å²	65	2%	0.024	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-129	127.2	170.3	-179	0	0	0	0	106.9	K82 T83 P85 L94 E98 L105 V107	V80-K82 PolarHBondContact O-N 3.28Å; V80-T83 PolarHBondContact N-O 3.5Å; V80-T83 PolarHBondContact O-N 2.91Å; V80-T83 VanDerWaalsContact O-O 3.14Å; V80-T83 PolarHBondContact O-OG1 3.36Å; V80-P85 HydrophobicContact CG2-CG 4.23Å; V80-L94 HydrophobicContact CG1-CD1 4.46Å; V80-L94 HydrophobicContact CG2-CD1 4.47Å; V80-L94 HydrophobicContact CG2-CD2 4.12Å; V80-E98 HydrophobicContact CG1-CB 3.42Å; V80-E98 VanDerWaalsContact CG1-CB 3.42Å; V80-E98 HydrophobicContact CG1-CG 3.8Å; V80-L105 HydrophobicContact CG1-CD1 3.86Å; V80-L105 HydrophobicContact CG2-CD1 4.5Å; V80-V107 HydrophobicContact CG2-CB 4.48Å; V80-V107 HydrophobicContact CG2-CG2 3.87Å
81	D	92.6	Very high	95.7	Very high	119 Å²	119	64.2 Å²	64.2	64%	0.636	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.7	49.2	-168.7	-167	31.2	0	0	0	113.4	T83	D81-T83 PolarHBondContact O-N 3.26Å
82	K	89.6	Confident	95.9	Very high	139 Å²	139	62.2 Å²	62.2	60%	0.604	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	5.4	-179.4	-44.7	177.1	-175.1	168.7	0	115.8	V80 F115	V80-K82 PolarHBondContact O-N 3.28Å; K82-F115 HydrophobicContact CB-CD1 4.07Å; K82-F115 HydrophobicContact CB-CD2 4.41Å; K82-F115 HydrophobicContact CB-CE1 4.31Å; K82-F115 HydrophobicContact CB-CG 4.1Å; K82-F115 HydrophobicContact CD-CD1 4.32Å; K82-F115 HydrophobicContact CD-CE1 4.21Å; K82-F115 HydrophobicContact CG-CD1 3.92Å; K82-F115 HydrophobicContact CG-CE1 3.7Å; K82-F115 HydrophobicContact CG-CG 4.4Å; K82-F115 HydrophobicContact CG-CZ 4Å
83	T	92.8	Very high	96.1	Very high	82 Å²	82	62 Å²	62	50%	0.503	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-111	151.1	177.6	67.8	0	0	0	0	111.4	F79 V80 D81 P85	F79-T83 CarbonylContact C-O 3.54Å; F79-T83 VanDerWaalsContact CA-O 3.23Å; F79-T83 WeakPolarHBondContact CA-O 3.42Å; V80-T83 PolarHBondContact N-O 3.5Å; V80-T83 PolarHBondContact O-N 2.91Å; V80-T83 VanDerWaalsContact O-O 3.14Å; V80-T83 PolarHBondContact O-OG1 3.36Å; D81-T83 PolarHBondContact O-N 3.26Å; T83-P85 WeakPolarHBondContact O-CD 3.34Å
84	V	95.4	Very high	96.3	Very high	81 Å²	81	55.3 Å²	55.3	49%	0.491	30%	0.301	S	S	.	.			trans	-79.6	115.7	173.6	179.7	0	0	0	0	108.5	F79	F79-V84 HydrophobicContact CD1-CG2 3.92Å; F79-V84 HydrophobicContact CE1-CG2 3.66Å; F79-V84 HydrophobicContact CZ-CG2 4.34Å
85	P	96.5	Very high	96.5	Very high	12 Å²	12	50.1 Å²	50.1	8%	0.078	28%	0.278	C	S	.	.			trans	-68.7	148.9	-179.7	28.3	-33.6	0	0	0	111.3	V57 L78 V80 T83 S87 L94	V57-P85 HydrophobicContact CG1-CB 4.34Å; V57-P85 HydrophobicContact CG1-CG 3.85Å; V57-P85 HydrophobicContact CG2-CB 4.44Å; L78-P85 HydrophobicContact CB-CG 4.5Å; L78-P85 VanDerWaalsContact O-CD 3.31Å; L78-P85 WeakPolarHBondContact O-CD 3.19Å; V80-P85 HydrophobicContact CG2-CG 4.23Å; T83-P85 WeakPolarHBondContact O-CD 3.34Å; P85-S87 PolarHBondContact O-N 2.92Å; P85-L94 HydrophobicContact CB-CD1 3.9Å; P85-L94 HydrophobicContact CB-CD2 4.05Å; P85-L94 HydrophobicContact CG-CD2 4.33Å
86	Q	97.1	Very high	96.7	Very high	125 Å²	125	52.9 Å²	52.9	58%	0.584	29%	0.286	S	S	*	.			trans	-63.5	125.9	177.6	177.6	178	-11	0	0	110.9	S88 L89	Q86-S88 PolarHBondContact NE2-OG 3.33Å; Q86-S88 PolarHBondContact O-N 3.39Å; Q86-S88 VanDerWaalsContact O-N 3.13Å; Q86-L89 HydrophobicContact CB-CD1 4Å; Q86-L89 HydrophobicContact CB-CG 4.04Å; Q86-L89 HydrophobicContact CG-CG 4.47Å; Q86-L89 WeakPolarHBondContact O-CB 2.98Å; Q86-L89 PolarHBondContact O-N 2.95Å; Q86-L89 VanDerWaalsContact O-N 3.09Å
87	S	96.8	Very high	96.7	Very high	63 Å²	63	59.7 Å²	59.7	44%	0.441	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-24	-171.3	-48.3	0	0	0	0	114.7	A58 P85	A58-S87 WeakPolarHBondContact CB-O 3.47Å; A58-S87 PolarHBondContact N-O 3.45Å; P85-S87 PolarHBondContact O-N 2.92Å
88	S	97.8	Very high	96.8	Very high	80 Å²	80	58.9 Å²	58.9	56%	0.559	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-11.5	179.2	64.3	0	0	0	0	114.1	Q86	Q86-S88 PolarHBondContact NE2-OG 3.33Å; Q86-S88 PolarHBondContact O-N 3.39Å; Q86-S88 VanDerWaalsContact O-N 3.13Å
89	L	98.1	Very high	96.8	Very high	47 Å²	47	63.5 Å²	63.5	25%	0.246	33%	0.332	C	S	.	.	S	Bend	trans	-65.4	144.6	174.1	-72.5	174.4	0	0	0	109.8	T56 V57 Q86 Q93	T56-L89 CarbonylContact C-O 3.49Å; T56-L89 VanDerWaalsContact CA-O 3.22Å; T56-L89 WeakPolarHBondContact CA-O 3.4Å; V57-L89 HydrophobicContact CG2-CB 4.27Å; V57-L89 WeakPolarHBondContact CG2-O 3.32Å; V57-L89 PolarHBondContact N-O 2.72Å; Q86-L89 HydrophobicContact CB-CD1 4Å; Q86-L89 HydrophobicContact CB-CG 4.04Å; Q86-L89 HydrophobicContact CG-CG 4.47Å; Q86-L89 WeakPolarHBondContact O-CB 2.98Å; Q86-L89 PolarHBondContact O-N 2.95Å; Q86-L89 VanDerWaalsContact O-N 3.09Å; L89-Q93 HydrophobicContact CD2-CB 4.32Å
90	T	98.7	Very high	96.9	Very high	36 Å²	36	65.5 Å²	65.5	22%	0.221	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-75.7	154.9	168.6	63.4	0	0	0	0	110.6	S53 I55 G92 Q93 L94	S53-T90 WeakPolarHBondContact O-CB 3.09Å; I55-T90 CarbonylContact O-C 3.56Å; I55-T90 VanDerWaalsContact O-CA 3.31Å; I55-T90 WeakPolarHBondContact O-CA 3.46Å; T90-G92 PolarHBondContact O-N 3.23Å; T90-Q93 PolarHBondContact O-N 3.43Å; T90-Q93 WeakPolarHBondContact OG1-CB 3.21Å; T90-Q93 VanDerWaalsContact OG1-CD 3.28Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.22Å; T90-Q93 PolarHBondContact OG1-N 3.05Å; T90-Q93 PolarHBondContact OG1-OE1 2.69Å; T90-L94 PolarHBondContact O-N 3Å
91	M	98.7	Very high	96.9	Very high	1 Å²	1	72.8 Å²	72.8	1%	0.005	38%	0.377	C	S	.	.	H	α-helix	trans	-63.4	-29.6	176.9	-70	-59.9	-62.2	0	0	112	V29 V31 V51 I55 V57 F60 L94 Y95 L105	V29-M91 HydrophobicContact CG2-CB 3.91Å; V31-M91 HydrophobicContact CG2-CE 3.95Å; V51-M91 HydrophobicContact CG1-CB 4.33Å; V51-M91 HydrophobicContact CG1-CG 4Å; I55-M91 HydrophobicContact CD1-CG 4.41Å; I55-M91 HydrophobicContact CG1-CB 4.45Å; I55-M91 HydrophobicContact CG1-CG 3.8Å; I55-M91 WeakPolarHBondContact O-CG 3.48Å; I55-M91 PolarHBondContact O-N 2.64Å; V57-M91 HydrophobicContact CG2-SD 4.1Å; F60-M91 HydrophobicContact CB-CE 4.42Å; F60-M91 HydrophobicContact CB-CG 4.06Å; F60-M91 HydrophobicContact CB-SD 3.65Å; F60-M91 HydrophobicContact CD1-CE 3.66Å; F60-M91 HydrophobicContact CD1-SD 3.79Å; F60-M91 HydrophobicContact CD2-CE 4.34Å; F60-M91 HydrophobicContact CE1-CE 3.92Å; F60-M91 HydrophobicContact CG-CE 3.88Å; F60-M91 HydrophobicContact CG-CG 4.41Å; F60-M91 HydrophobicContact CG-SD 3.76Å; F60-M91 HydrophobicContact CZ-CE 4.37Å; M91-L94 HydrophobicContact SD-CD2 4.33Å; M91-Y95 WeakPolarHBondContact O-CB 3.43Å; M91-Y95 PolarHBondContact O-N 3.3Å; M91-L105 HydrophobicContact CE-CD2 3.79Å
92	G	98.6	Very high	97.2	Very high	10 Å²	10	67.1 Å²	67.1	10%	0.103	35%	0.347	C	S	.	.	H	α-helix	trans	-64.6	-50.9	171.1	0	0	0	0	0	112.6	S53 T90 L94 Y95 D96	S53-G92 PolarHBondContact O-N 3.37Å; T90-G92 PolarHBondContact O-N 3.23Å; G92-L94 VanDerWaalsContact C-N 3.31Å; G92-L94 PolarHBondContact O-N 3.22Å; G92-Y95 WeakPolarHBondContact O-CB 3.12Å; G92-Y95 PolarHBondContact O-N 3.09Å; G92-D96 PolarHBondContact O-N 3.5Å
93	Q	98.5	Very high	97.6	Very high	105 Å²	105	61.1 Å²	61.1	49%	0.491	32%	0.324	S	S	.	.	H	α-helix	trans	-60.2	-41.4	176.6	-73.9	166.6	-39.4	0	0	112.1	L89 T90 D96 K97	L89-Q93 HydrophobicContact CD2-CB 4.32Å; T90-Q93 PolarHBondContact O-N 3.43Å; T90-Q93 WeakPolarHBondContact OG1-CB 3.21Å; T90-Q93 VanDerWaalsContact OG1-CD 3.28Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.22Å; T90-Q93 PolarHBondContact OG1-N 3.05Å; T90-Q93 PolarHBondContact OG1-OE1 2.69Å; Q93-D96 PolarHBondContact O-N 3.43Å; Q93-K97 PolarHBondContact O-N 3.31Å
94	L	98.5	Very high	97.9	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.037	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-43.2	176.4	-178.2	61	0	0	0	111.3	V57 V80 P85 T90 M91 G92 K97 E98 L105	V57-L94 HydrophobicContact CG2-CD2 3.67Å; V80-L94 HydrophobicContact CG1-CD1 4.46Å; V80-L94 HydrophobicContact CG2-CD1 4.47Å; V80-L94 HydrophobicContact CG2-CD2 4.12Å; P85-L94 HydrophobicContact CB-CD1 3.9Å; P85-L94 HydrophobicContact CB-CD2 4.05Å; P85-L94 HydrophobicContact CG-CD2 4.33Å; T90-L94 PolarHBondContact O-N 3Å; M91-L94 HydrophobicContact SD-CD2 4.33Å; G92-L94 VanDerWaalsContact C-N 3.31Å; G92-L94 PolarHBondContact O-N 3.22Å; L94-K97 PolarHBondContact O-N 3.05Å; L94-E98 HydrophobicContact CD1-CB 4.35Å; L94-E98 HydrophobicContact CD1-CG 3.78Å; L94-E98 WeakPolarHBondContact O-CB 3.41Å; L94-E98 PolarHBondContact O-N 2.83Å; L94-L105 HydrophobicContact CD2-CD2 4.03Å; L94-L105 HydrophobicContact CG-CD1 4.32Å; L94-L105 HydrophobicContact CG-CD2 4Å
95	Y	98.6	Very high	98.1	Very high	12 Å²	12	53.6 Å²	53.6	5%	0.047	28%	0.278	C	S	.	.	H	α-helix	trans	-61.5	-45.3	176.4	175.1	-88.7	0	0	0	112.3	V29 P30 M91 G92 K97 E98 K99 G103 L105	V29-Y95 HydrophobicContact CB-CD2 3.88Å; V29-Y95 HydrophobicContact CB-CG 4.03Å; V29-Y95 HydrophobicContact CG1-CD1 4.1Å; V29-Y95 HydrophobicContact CG1-CD2 4.02Å; V29-Y95 HydrophobicContact CG1-CG 3.64Å; P30-Y95 HydrophobicContact CG-CE2 4.16Å; M91-Y95 WeakPolarHBondContact O-CB 3.43Å; M91-Y95 PolarHBondContact O-N 3.3Å; G92-Y95 WeakPolarHBondContact O-CB 3.12Å; G92-Y95 PolarHBondContact O-N 3.09Å; Y95-K97 PolarHBondContact O-N 2.82Å; Y95-E98 PolarHBondContact O-N 3.02Å; Y95-K99 HydrophobicContact CD1-CD 4.15Å; Y95-K99 HydrophobicContact CD2-CB 4.01Å; Y95-K99 HydrophobicContact CE1-CB 4.41Å; Y95-K99 HydrophobicContact CE1-CD 3.58Å; Y95-K99 HydrophobicContact CE2-CB 3.83Å; Y95-K99 HydrophobicContact CE2-CD 4.36Å; Y95-K99 HydrophobicContact CG-CB 4.34Å; Y95-K99 WeakPolarHBondContact O-CB 3.14Å; Y95-K99 WeakPolarHBondContact O-CG 3.5Å; Y95-K99 PolarHBondContact O-N 2.88Å; Y95-G103 WeakPolarHBondContact CE2-O 3.06Å; Y95-G103 PolarHBondContact OH-O 2.95Å; Y95-L105 HydrophobicContact CD2-CB 3.85Å
96	D	97.9	Very high	98.2	Very high	107 Å²	107	53.7 Å²	53.7	57%	0.572	28%	0.277	S	S	*	.	H	α-helix	trans	-63.8	-30.4	-179	-72.9	-26.9	0	0	0	112.6	G92 Q93	G92-D96 PolarHBondContact O-N 3.5Å; Q93-D96 PolarHBondContact O-N 3.43Å
97	K	97.4	Very high	98.2	Very high	151 Å²	151	47.8 Å²	47.8	66%	0.657	25%	0.249	S	C	*	.	H	α-helix	trans	-83.9	-39.4	178.8	-170.5	-176.1	177.5	-117.4	0	113.5	Q93 L94 Y95	Q93-K97 PolarHBondContact O-N 3.31Å; L94-K97 PolarHBondContact O-N 3.05Å; Y95-K97 PolarHBondContact O-N 2.82Å
98	E	98.1	Very high	98.3	Very high	45 Å²	45	44.8 Å²	44.8	21%	0.21	23%	0.228	C	C	.	.	H	α-helix	trans	-125.8	8.7	-163.1	-53.9	-64.8	165.6	0	0	114.6	V80 L94 Y95 L105	V80-E98 HydrophobicContact CG1-CB 3.42Å; V80-E98 VanDerWaalsContact CG1-CB 3.42Å; V80-E98 HydrophobicContact CG1-CG 3.8Å; L94-E98 HydrophobicContact CD1-CB 4.35Å; L94-E98 HydrophobicContact CD1-CG 3.78Å; L94-E98 WeakPolarHBondContact O-CB 3.41Å; L94-E98 PolarHBondContact O-N 2.83Å; Y95-E98 PolarHBondContact O-N 3.02Å; E98-L105 HydrophobicContact CB-CD1 3.97Å
99	K	97.9	Very high	98.2	Very high	103 Å²	103	41 Å²	41	45%	0.448	20%	0.202	S	C	.	.			trans	-59.7	146.4	173.5	68.9	-169.8	-179.2	-154.2	0	110.9	Y95	Y95-K99 HydrophobicContact CD1-CD 4.15Å; Y95-K99 HydrophobicContact CD2-CB 4.01Å; Y95-K99 HydrophobicContact CE1-CB 4.41Å; Y95-K99 HydrophobicContact CE1-CD 3.58Å; Y95-K99 HydrophobicContact CE2-CB 3.83Å; Y95-K99 HydrophobicContact CE2-CD 4.36Å; Y95-K99 HydrophobicContact CG-CB 4.34Å; Y95-K99 WeakPolarHBondContact O-CB 3.14Å; Y95-K99 WeakPolarHBondContact O-CG 3.5Å; Y95-K99 PolarHBondContact O-N 2.88Å
100	D	98.4	Very high	98.1	Very high	47 Å²	47	38.9 Å²	38.9	25%	0.251	19%	0.191	S	C	.	.			trans	-75.4	166.3	174	-160.4	-105	0	0	0	111.3	K6 D102 G103 F104 Y106	K6-D100 IonicContact NZ-OD1 2.72Å; K6-D100 PolarHBondContact NZ-OD1 2.77Å; K6-D100 IonicContact NZ-OD2 2.76Å; K6-D100 PolarHBondContact NZ-OD2 3.06Å; D100-D102 PolarHBondContact O-N 3.41Å; D100-D102 VanDerWaalsContact O-N 3.11Å; D100-G103 PolarHBondContact O-N 3.21Å; D100-F104 WeakPolarHBondContact CB-O 3.48Å; D100-F104 PolarHBondContact N-O 2.72Å; D100-Y106 HydrophobicContact CB-CD2 3.63Å; D100-Y106 HydrophobicContact CB-CE2 3.55Å
101	E	97.9	Very high	98	Very high	156 Å²	156	38.4 Å²	38.4	73%	0.729	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-25	175.5	60.1	176.5	-171.8	0	0	113	L11 G103	L11-E101 HydrophobicContact CD1-CG 4.15Å; E101-G103 VanDerWaalsContact C-N 3.29Å; E101-G103 PolarHBondContact O-N 2.93Å
102	D	98.4	Very high	97.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.8	178.4	73.6	17	0	0	0	114.6	L11 R14 C15 S18 D100 F104 Y106	L11-D102 HydrophobicContact CD1-CB 3.72Å; R14-D102 HydrophobicContact CB-CB 3.79Å; R14-D102 WeakPolarHBondContact CD-OD2 3.37Å; R14-D102 IonicContact CZ-OD2 2.71Å; R14-D102 IonicContact NE-OD2 2.64Å; R14-D102 IonicContact NH1-OD2 3.88Å; R14-D102 PolarHBondContact NH1-OD2 3.03Å; C15-D102 WeakPolarHBondContact CA-O 3.47Å; S18-D102 VanDerWaalsContact CB-O 3.25Å; S18-D102 WeakPolarHBondContact CB-O 3.46Å; S18-D102 PolarHBondContact OG-O 3.3Å; D100-D102 PolarHBondContact O-N 3.41Å; D100-D102 VanDerWaalsContact O-N 3.11Å; D102-F104 WeakPolarHBondContact OD1-CB 3.22Å; D102-F104 PolarHBondContact OD1-N 3.12Å; D102-Y106 WeakPolarHBondContact OD1-CE2 3.17Å; D102-Y106 WeakPolarHBondContact OD2-CE2 3.49Å; D102-Y106 PolarHBondContact OD2-OH 3.38Å
103	G	98.4	Very high	97	Very high	12 Å²	12	48.2 Å²	48.2	12%	0.124	24%	0.24	C	C	.	.	S	Bend	trans	81.7	9.1	178.1	0	0	0	0	0	115.6	S18 P30 Y95 D100 E101	S18-G103 WeakPolarHBondContact CB-O 3.49Å; P30-G103 WeakPolarHBondContact CG-O 3.25Å; Y95-G103 WeakPolarHBondContact CE2-O 3.06Å; Y95-G103 PolarHBondContact OH-O 2.95Å; D100-G103 PolarHBondContact O-N 3.21Å; E101-G103 VanDerWaalsContact C-N 3.29Å; E101-G103 PolarHBondContact O-N 2.93Å
104	F	98.8	Very high	96.1	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.026	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-97.5	150.5	166	-72.3	-90.8	0	0	0	111.6	F5 R14 E17 P30 I32 D100 D102 Y106	F5-F104 HydrophobicContact CE1-CD2 4.1Å; F5-F104 HydrophobicContact CE1-CE2 4.01Å; F5-F104 HydrophobicContact CE1-CG 4.46Å; F5-F104 HydrophobicContact CE1-CZ 4.31Å; F5-F104 HydrophobicContact CZ-CE1 4.49Å; F5-F104 HydrophobicContact CZ-CE2 4.15Å; F5-F104 HydrophobicContact CZ-CZ 4.07Å; R14-F104 HydrophobicContact CB-CD2 4.41Å; R14-F104 HydrophobicContact CB-CE2 4.23Å; R14-F104 WeakPolarHBondContact O-CE2 3.43Å; E17-F104 HydrophobicContact CB-CZ 4.38Å; E17-F104 HydrophobicContact CG-CZ 4.23Å; P30-F104 HydrophobicContact CB-CD1 3.62Å; P30-F104 HydrophobicContact CB-CE1 3.69Å; P30-F104 HydrophobicContact CG-CD1 4.22Å; I32-F104 HydrophobicContact CD1-CD1 3.68Å; I32-F104 HydrophobicContact CD1-CE1 3.9Å; I32-F104 HydrophobicContact CD1-CG 4.29Å; I32-F104 HydrophobicContact CG1-CB 3.96Å; I32-F104 HydrophobicContact CG1-CD1 3.71Å; I32-F104 HydrophobicContact CG1-CE1 4.42Å; I32-F104 HydrophobicContact CG1-CG 3.93Å; D100-F104 WeakPolarHBondContact CB-O 3.48Å; D100-F104 PolarHBondContact N-O 2.72Å; D102-F104 WeakPolarHBondContact OD1-CB 3.22Å; D102-F104 PolarHBondContact OD1-N 3.12Å; F104-Y106 HydrophobicContact CB-CD2 4.25Å; F104-Y106 HydrophobicContact CB-CE2 3.75Å
105	L	98.7	Very high	94.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	128.3	162.2	174.9	67.7	0	0	0	109.3	P30 V31 I32 V80 M91 L94 Y95 E98 V107	P30-L105 PolarHBondContact O-N 2.98Å; V31-L105 CarbonylContact C-O 3.46Å; V31-L105 VanDerWaalsContact CA-O 3.3Å; V31-L105 WeakPolarHBondContact CA-O 3.47Å; V31-L105 WeakPolarHBondContact CG1-O 3.41Å; V31-L105 HydrophobicContact CG2-CB 4.4Å; V31-L105 HydrophobicContact CG2-CD2 4.31Å; I32-L105 PolarHBondContact N-O 2.86Å; V80-L105 HydrophobicContact CG1-CD1 3.86Å; V80-L105 HydrophobicContact CG2-CD1 4.5Å; M91-L105 HydrophobicContact CE-CD2 3.79Å; L94-L105 HydrophobicContact CD2-CD2 4.03Å; L94-L105 HydrophobicContact CG-CD1 4.32Å; L94-L105 HydrophobicContact CG-CD2 4Å; Y95-L105 HydrophobicContact CD2-CB 3.85Å; E98-L105 HydrophobicContact CB-CD1 3.97Å; L105-V107 HydrophobicContact CD2-CG2 4.22Å; L105-V107 HydrophobicContact CG-CG2 4.09Å
106	Y	98.4	Very high	92.6	Very high	13 Å²	13	54.6 Å²	54.6	5%	0.051	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119.3	-179.3	-74.8	-94.8	0	0	0	110.8	W3 F5 K6 I32 D100 D102 F104	W3-Y106 HydrophobicContact CB-CE1 4.36Å; W3-Y106 AromaticContact CD2-CD1 3.49Å; W3-Y106 HydrophobicContact CD2-CD1 3.49Å; W3-Y106 VanDerWaalsContact CD2-CD1 3.49Å; W3-Y106 HydrophobicContact CD2-CE1 4.19Å; W3-Y106 HydrophobicContact CD2-CG 4.29Å; W3-Y106 AromaticContact CE2-CD1 3.83Å; W3-Y106 AromaticContact CE3-CD1 3.57Å; W3-Y106 HydrophobicContact CE3-CD1 3.57Å; W3-Y106 HydrophobicContact CE3-CE1 4.35Å; W3-Y106 HydrophobicContact CE3-CG 4.49Å; W3-Y106 AromaticContact CG-CD1 3.92Å; W3-Y106 HydrophobicContact CG-CD1 3.92Å; W3-Y106 HydrophobicContact CG-CE1 4.19Å; W3-Y106 HydrophobicContact CH2-CD1 4.28Å; W3-Y106 HydrophobicContact CH2-CG 4.47Å; W3-Y106 HydrophobicContact CZ2-CD1 4.25Å; W3-Y106 HydrophobicContact CZ2-CG 4.3Å; W3-Y106 AromaticContact CZ3-CD1 3.95Å; W3-Y106 HydrophobicContact CZ3-CD1 3.95Å; F5-Y106 HydrophobicContact CD1-CE1 4.06Å; F5-Y106 WeakPolarHBondContact CD1-OH 3.34Å; K6-Y106 HydrophobicContact CD-CE1 4.41Å; K6-Y106 WeakPolarHBondContact CE-OH 3.2Å; K6-Y106 HydrophobicContact CG-CE1 3.93Å; K6-Y106 WeakPolarHBondContact CG-OH 3.47Å; I32-Y106 HydrophobicContact CB-CD1 3.78Å; I32-Y106 HydrophobicContact CB-CE1 3.89Å; I32-Y106 HydrophobicContact CB-CG 4.41Å; I32-Y106 HydrophobicContact CG1-CD1 4.29Å; I32-Y106 HydrophobicContact CG1-CE1 3.95Å; I32-Y106 HydrophobicContact CG2-CD1 3.94Å; I32-Y106 HydrophobicContact CG2-CE1 3.93Å; D100-Y106 HydrophobicContact CB-CD2 3.63Å; D100-Y106 HydrophobicContact CB-CE2 3.55Å; D102-Y106 WeakPolarHBondContact OD1-CE2 3.17Å; D102-Y106 WeakPolarHBondContact OD2-CE2 3.49Å; D102-Y106 PolarHBondContact OD2-OH 3.38Å; F104-Y106 HydrophobicContact CB-CD2 4.25Å; F104-Y106 HydrophobicContact CB-CE2 3.75Å
107	V	98.1	Very high	92.4	Very high	2 Å²	2	52 Å²	52	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.9	-178.3	-177.5	0	0	0	0	109.3	V31 I32 V33 E34 F60 L78 F79 V80 L105	V31-V107 HydrophobicContact CG1-CB 4.24Å; V31-V107 HydrophobicContact CG1-CG2 3.6Å; I32-V107 PolarHBondContact O-N 2.55Å; V33-V107 VanDerWaalsContact CA-O 3.28Å; V33-V107 WeakPolarHBondContact CA-O 3.46Å; E34-V107 PolarHBondContact N-O 3.09Å; E34-V107 VanDerWaalsContact N-O 3.12Å; F60-V107 HydrophobicContact CE1-CB 4.5Å; F60-V107 HydrophobicContact CE1-CG1 4.32Å; F60-V107 HydrophobicContact CE1-CG2 4.27Å; L78-V107 HydrophobicContact CB-CG1 4Å; L78-V107 HydrophobicContact CD1-CG1 4.25Å; L78-V107 HydrophobicContact CD2-CG1 4.05Å; L78-V107 HydrophobicContact CG-CG1 4.33Å; F79-V107 CarbonylContact O-C 3.47Å; F79-V107 WeakPolarHBondContact O-CA 3.34Å; V80-V107 HydrophobicContact CG2-CB 4.48Å; V80-V107 HydrophobicContact CG2-CG2 3.87Å; L105-V107 HydrophobicContact CD2-CG2 4.22Å; L105-V107 HydrophobicContact CG-CG2 4.09Å
108	A	97.4	Very high	92.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	149.3	171.8	0	0	0	0	0	109.3	M1 W3 E34 V36 L78 F79 F115	M1-A108 HydrophobicContact CE-CB 3.57Å; M1-A108 HydrophobicContact SD-CB 3.74Å; W3-A108 HydrophobicContact CH2-CB 3.89Å; E34-A108 CarbonylContact O-C 3.54Å; E34-A108 WeakPolarHBondContact O-CA 3.44Å; V36-A108 HydrophobicContact CG2-CB 3.96Å; L78-A108 CarbonylContact C-O 3.5Å; L78-A108 WeakPolarHBondContact CA-O 3.23Å; F79-A108 HydrophobicContact CB-CB 4.22Å; F79-A108 PolarHBondContact N-O 2.84Å; F79-A108 PolarHBondContact O-N 3.13Å; A108-F115 HydrophobicContact CB-CE2 4.13Å
109	Y	97	Very high	91.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.8	172.1	73.1	-80.7	0	0	0	112.7	V33 E34 K35 V36 I41 V42 D43 I44 I64 I68 I76 F77	V33-Y109 HydrophobicContact CG1-CD1 3.64Å; V33-Y109 HydrophobicContact CG1-CE1 3.97Å; E34-Y109 VanDerWaalsContact C-CE1 3.45Å; E34-Y109 WeakPolarHBondContact O-CD1 3.35Å; E34-Y109 PolarHBondContact O-N 2.85Å; K35-Y109 VanDerWaalsContact CA-CE1 3.5Å; K35-Y109 HydrophobicContact CB-CE1 3.82Å; K35-Y109 HydrophobicContact CB-CE2 4.24Å; K35-Y109 HydrophobicContact CG-CE1 4.46Å; K35-Y109 HydrophobicContact CG-CE2 4.02Å; K35-Y109 VanDerWaalsContact N-CE1 3.34Å; V36-Y109 PolarHBondContact N-O 3.32Å; I41-Y109 HydrophobicContact CD1-CD2 4.16Å; I41-Y109 HydrophobicContact CD1-CE2 4.44Å; I41-Y109 HydrophobicContact CG1-CE2 4.39Å; I41-Y109 HydrophobicContact CG2-CD2 3.86Å; I41-Y109 HydrophobicContact CG2-CE2 3.63Å; V42-Y109 PolarHBondContact O-OH 3Å; V42-Y109 VanDerWaalsContact O-OH 3.12Å; D43-Y109 WeakPolarHBondContact CA-OH 3.31Å; I44-Y109 HydrophobicContact CB-CE1 4.21Å; I44-Y109 HydrophobicContact CG2-CE1 4Å; I44-Y109 PolarHBondContact N-OH 3.16Å; I64-Y109 HydrophobicContact CG2-CG 4.49Å; I68-Y109 HydrophobicContact CD1-CE2 4.25Å; I76-Y109 HydrophobicContact CD1-CD2 4.32Å; F77-Y109 WeakPolarHBondContact O-CA 3.31Å
110	S	96.6	Very high	91.4	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.014	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	158.6	178.5	-171	0	0	0	0	110.9	S39 I76 F77 E112	S39-S110 PolarHBondContact OG-OG 3.47Å; I76-S110 WeakPolarHBondContact CA-O 3.33Å; F77-S110 PolarHBondContact N-O 3.18Å; F77-S110 PolarHBondContact O-N 3.18Å; S110-E112 WeakPolarHBondContact CB-O 3.45Å; S110-E112 PolarHBondContact OG-N 3.28Å
111	G	95.3	Very high	91	Very high	27 Å²	27	43.4 Å²	43.4	28%	0.278	27%	0.27	S	S	.	.	S	Bend	trans	-75.7	-10.2	165.4	0	0	0	0	0	113.8	S39	S39-G111 PolarHBondContact OG-N 2.87Å
112	E	91.4	Very high	90.5	Very high	110 Å²	110	35.9 Å²	35.9	51%	0.514	24%	0.239	S	C	.	.	S	Bend	trans	-115.6	149	-177	-65.6	171.2	-171.9	0	0	111.1	F77 F79 S110 T114	F77-E112 VanDerWaalsContact CD2-O 3.31Å; F77-E112 WeakPolarHBondContact CD2-O 3.21Å; F79-E112 WeakPolarHBondContact CZ-O 3.49Å; S110-E112 WeakPolarHBondContact CB-O 3.45Å; S110-E112 PolarHBondContact OG-N 3.28Å; E112-T114 VanDerWaalsContact C-N 3.31Å
113	N	86.2	Confident	89.9	Confident	107 Å²	107	38.4 Å²	38.4	57%	0.572	26%	0.256	S	S	*	.	S	Bend	trans	-84.3	-3.8	-176.8	69.8	-19	0	0	0	114.1	F77	F77-N113 HydrophobicContact CD1-CB 3.8Å; F77-N113 HydrophobicContact CD2-CB 4.1Å; F77-N113 HydrophobicContact CE1-CB 3.59Å; F77-N113 HydrophobicContact CE2-CB 3.9Å; F77-N113 HydrophobicContact CG-CB 4.06Å; F77-N113 HydrophobicContact CZ-CB 3.65Å
114	T	78.2	Confident	89.3	Confident	87 Å²	87	40.4 Å²	40.4	53%	0.534	27%	0.266	S	S	.	.	S	Bend	trans	-100.4	131.7	176	47.3	0	0	0	0	110.3	E112 G116	E112-T114 VanDerWaalsContact C-N 3.31Å; T114-G116 PolarHBondContact O-N 3.02Å
115	F	66.9	Low	88.5	Confident	52 Å²	52	43.3 Å²	43.3	23%	0.228	29%	0.286	C	S	.	.			trans	-80	102.7	169.6	-161	-88.8	0	0	0	107.7	M1 V36 F79 K82 A108	M1-F115 HydrophobicContact CB-CE1 4.26Å; M1-F115 HydrophobicContact CB-CZ 3.63Å; V36-F115 HydrophobicContact CG2-CD2 4.43Å; V36-F115 HydrophobicContact CG2-CE2 4.3Å; F79-F115 HydrophobicContact CB-CD2 3.89Å; F79-F115 HydrophobicContact CB-CE2 4.09Å; F79-F115 HydrophobicContact CD1-CB 4.27Å; F79-F115 AromaticContact CD1-CD2 3.92Å; F79-F115 HydrophobicContact CD1-CD2 3.92Å; F79-F115 HydrophobicContact CD2-CD2 4.22Å; F79-F115 HydrophobicContact CE1-CB 4.22Å; F79-F115 AromaticContact CG-CD2 3.75Å; F79-F115 HydrophobicContact CG-CD2 3.75Å; F79-F115 HydrophobicContact CG-CE2 4.39Å; K82-F115 HydrophobicContact CB-CD1 4.07Å; K82-F115 HydrophobicContact CB-CD2 4.41Å; K82-F115 HydrophobicContact CB-CE1 4.31Å; K82-F115 HydrophobicContact CB-CG 4.1Å; K82-F115 HydrophobicContact CD-CD1 4.32Å; K82-F115 HydrophobicContact CD-CE1 4.21Å; K82-F115 HydrophobicContact CG-CD1 3.92Å; K82-F115 HydrophobicContact CG-CE1 3.7Å; K82-F115 HydrophobicContact CG-CG 4.4Å; K82-F115 HydrophobicContact CG-CZ 4Å; A108-F115 HydrophobicContact CB-CE2 4.13Å
116	G	57.5	Low	87.5	Confident	119 Å²	119	47.2 Å²	47.2	100%	1.227	31%	0.312	S	S	*	.			trans	-73.2	0	175.9	0	0	0	0	0	113.4	T114	T114-G116 PolarHBondContact O-N 3.02Å

Retrieved 116 of 116 residues in 130 ms (Link to these results)

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