A0A077ZJ45_TRITR Loading...

Ras-related protein Rab-25

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different set of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion. RAB25 regulates epithelial cell differentiation, proliferation and survival, thereby playing key roles in tumorigenesis. Promotes invasive migration of cells in which it functions to localize and maintain integrin alpha-V/beta-1 at the tips of extending pseudopodia. Involved in the regulation of epithelial morphogenesis through the control of CLDN4 expression and localization at tight junctions. May selectively regulate the apical recycling pathway. Together with MYO5B regulates transcytosis.

AlphaFold DB , UniProt , Accession A0A077ZJ45, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 182 aa.

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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	41.8	Very low	69.9	Low	240 Å²	240	114.4 Å²	114.4	100%	1.182	57%	0.571	S	S	*	*				0	112.7	0	-83.3	167.1	132.1	0	0	106.1
2	A	52	Low	71.9	Confident	77 Å²	77	106.1 Å²	106.1	64%	0.636	53%	0.529	S	S	*	.			trans	-64	133.6	172.9	0	0	0	0	0	107.8	D6	A2-D6 HydrophobicContact CB-CB 3.81Å
3	T	53.2	Low	73.7	Confident	77 Å²	77	100.9 Å²	100.9	47%	0.472	50%	0.501	S	S	.	.			trans	-73	162.5	176.6	56.5	0	0	0	0	108.8	E5 D6	T3-E5 PolarHBondContact O-N 2.89Å; T3-D6 PolarHBondContact N-OD2 3.28Å; T3-D6 WeakPolarHBondContact O-CB 3.14Å; T3-D6 PolarHBondContact O-N 3.04Å
4	K	55	Low	75.3	Confident	188 Å²	188	93.8 Å²	93.8	82%	0.817	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-20	174.8	-120.3	-177.3	179.4	-175	0	113.3	D6 E7	K4-D6 VanDerWaalsContact C-N 3.27Å; K4-E7 PolarHBondContact O-N 3.22Å
5	E	57.9	Low	76.7	Confident	151 Å²	151	87.5 Å²	87.5	71%	0.706	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-16.3	173.3	-67.3	179.8	152.2	0	0	113.7	T3 K61	T3-E5 PolarHBondContact O-N 2.89Å; E5-K61 PolarHBondContact O-NZ 3.32Å
6	D	68.2	Low	78	Confident	77 Å²	77	82.1 Å²	82.1	41%	0.412	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-17.8	174.7	-69.9	-38	0	0	0	112.9	A2 T3 K4 Y8 K61	A2-D6 HydrophobicContact CB-CB 3.81Å; T3-D6 PolarHBondContact N-OD2 3.28Å; T3-D6 WeakPolarHBondContact O-CB 3.14Å; T3-D6 PolarHBondContact O-N 3.04Å; K4-D6 VanDerWaalsContact C-N 3.27Å; D6-Y8 WeakPolarHBondContact O-CD1 3.3Å; D6-Y8 PolarHBondContact O-N 3.17Å; D6-K61 IonicContact OD1-NZ 2.62Å; D6-K61 PolarHBondContact OD1-NZ 3.23Å
7	E	81.6	Confident	79.1	Confident	138 Å²	138	77.2 Å²	77.2	65%	0.645	38%	0.384	S	S	*	.			trans	-78	119.1	172.7	-71.8	-177.2	171.4	0	0	109.8	K4	K4-E7 PolarHBondContact O-N 3.22Å
8	Y	88	Confident	80.1	Confident	105 Å²	105	73 Å²	73	41%	0.412	36%	0.363	S	S	.	.			trans	-137.6	148.2	174.3	58.2	-93.2	0	0	0	109.6	D6 Y10 L11 K61	D6-Y8 WeakPolarHBondContact O-CD1 3.3Å; D6-Y8 PolarHBondContact O-N 3.17Å; Y8-Y10 WeakPolarHBondContact CD2-O 3.42Å; Y8-L11 HydrophobicContact CD2-CB 4.17Å; Y8-L11 HydrophobicContact CE2-CB 3.63Å; Y8-L11 HydrophobicContact CE2-CD1 4.26Å; Y8-L11 HydrophobicContact CE2-CG 4.41Å; Y8-K61 HydrophobicContact CD1-CB 4Å; Y8-K61 HydrophobicContact CD1-CD 3.5Å; Y8-K61 HydrophobicContact CD1-CG 4.4Å; Y8-K61 HydrophobicContact CD2-CB 4.4Å; Y8-K61 HydrophobicContact CE1-CD 3.95Å; Y8-K61 HydrophobicContact CG-CB 3.79Å; Y8-K61 HydrophobicContact CG-CD 4.19Å
9	D	90	Very high	80.9	Confident	74 Å²	74	70.1 Å²	70.1	40%	0.396	35%	0.349	S	S	.	.	S	Bend	trans	-80.4	-36.4	172.9	-63.2	-95.1	0	0	0	110.7	K58 V59	D9-K58 HydrophobicContact CB-CB 4.24Å; D9-K58 HydrophobicContact CB-CD 4.05Å; D9-K58 VanDerWaalsContact CG-CD 3.49Å; D9-K58 WeakPolarHBondContact OD1-CD 3.46Å; D9-K58 IonicContact OD1-NZ 2.98Å; D9-K58 PolarHBondContact OD1-NZ 2.92Å; D9-K58 WeakPolarHBondContact OD2-CA 3.24Å; D9-V59 PolarHBondContact N-O 3.35Å; D9-V59 PolarHBondContact OD2-N 3.34Å
10	Y	89.9	Confident	81.5	Confident	62 Å²	62	68.7 Å²	68.7	24%	0.243	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	144.3	-176	-60.2	-87.5	0	0	0	112.3	Y8 K58 V59 V60 K61 W173 L180	Y8-Y10 WeakPolarHBondContact CD2-O 3.42Å; Y10-K58 HydrophobicContact CD2-CB 4.35Å; Y10-K58 HydrophobicContact CE2-CB 4.27Å; Y10-K58 HydrophobicContact CE2-CD 4.39Å; Y10-K58 HydrophobicContact CE2-CG 4.23Å; Y10-V59 PolarHBondContact N-O 3.28Å; Y10-V60 WeakPolarHBondContact O-CA 3.45Å; Y10-K61 PolarHBondContact O-N 3.3Å; Y10-W173 HydrophobicContact CD1-CZ3 4.02Å; Y10-W173 HydrophobicContact CD2-CE3 4.11Å; Y10-W173 AromaticContact CD2-CH2 3.93Å; Y10-W173 HydrophobicContact CD2-CH2 3.93Å; Y10-W173 AromaticContact CD2-CZ3 3.3Å; Y10-W173 HydrophobicContact CD2-CZ3 3.3Å; Y10-W173 HydrophobicContact CE1-CH2 4.43Å; Y10-W173 AromaticContact CE1-CZ3 3.76Å; Y10-W173 HydrophobicContact CE1-CZ3 3.76Å; Y10-W173 HydrophobicContact CE2-CE3 4.21Å; Y10-W173 AromaticContact CE2-CH2 3.25Å; Y10-W173 HydrophobicContact CE2-CH2 3.25Å; Y10-W173 AromaticContact CE2-CZ3 3.04Å; Y10-W173 HydrophobicContact CE2-CZ3 3.04Å; Y10-W173 HydrophobicContact CG-CE3 4.41Å; Y10-W173 AromaticContact CG-CZ3 3.82Å; Y10-W173 HydrophobicContact CG-CZ3 3.82Å; Y10-W173 AromaticContact CZ-CH2 3.55Å; Y10-W173 AromaticContact CZ-CZ3 3.27Å; Y10-L180 HydrophobicContact CE1-CD1 4.39Å
11	L	91.8	Very high	82.1	Confident	69 Å²	69	67.7 Å²	67.7	36%	0.361	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	112	176.8	-172	70.1	0	0	0	109.6	Y8 K61 Q63	Y8-L11 HydrophobicContact CD2-CB 4.17Å; Y8-L11 HydrophobicContact CE2-CB 3.63Å; Y8-L11 HydrophobicContact CE2-CD1 4.26Å; Y8-L11 HydrophobicContact CE2-CG 4.41Å; L11-K61 WeakPolarHBondContact CA-O 3.41Å; L11-K61 HydrophobicContact CD1-CB 4.01Å; L11-K61 HydrophobicContact CD1-CD 4.41Å; L11-K61 HydrophobicContact CD1-CG 4.11Å; L11-Q63 HydrophobicContact CD1-CG 3.74Å; L11-Q63 HydrophobicContact CG-CG 4.33Å
12	F	94	Very high	84.8	Confident	15 Å²	15	56.2 Å²	56.2	7%	0.066	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.5	-178.5	-73.2	-3.2	0	0	0	111.1	V60 K61 A62 Q63 V85 L169 Q172 W173	F12-V60 HydrophobicContact CB-CG1 4.13Å; F12-V60 HydrophobicContact CD2-CG1 3.47Å; F12-V60 VanDerWaalsContact CD2-CG1 3.47Å; F12-V60 HydrophobicContact CE2-CG1 3.93Å; F12-V60 HydrophobicContact CG-CG1 3.78Å; F12-K61 PolarHBondContact N-O 2.84Å; F12-A62 CarbonylContact O-C 3.4Å; F12-A62 WeakPolarHBondContact O-CA 3.45Å; F12-Q63 PolarHBondContact O-N 3.49Å; F12-V85 HydrophobicContact CB-CG2 3.69Å; F12-V85 HydrophobicContact CD1-CG2 4.16Å; F12-V85 HydrophobicContact CD2-CG2 4.5Å; F12-V85 HydrophobicContact CG-CG2 3.88Å; F12-L169 HydrophobicContact CB-CD2 3.8Å; F12-L169 HydrophobicContact CD2-CD2 3.93Å; F12-L169 WeakPolarHBondContact CE2-O 3.36Å; F12-L169 HydrophobicContact CG-CD2 4.4Å; F12-Q172 HydrophobicContact CD2-CB 4.01Å; F12-Q172 HydrophobicContact CE2-CB 3.69Å; F12-Q172 HydrophobicContact CZ-CB 4.26Å; F12-W173 HydrophobicContact CE2-CB 4.39Å; F12-W173 HydrophobicContact CZ-CE3 4.44Å
13	K	94.7	Very high	86.9	Confident	39 Å²	39	53.1 Å²	53.1	17%	0.17	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	121.9	174.3	-179	177.1	172.1	-170.3	0	110.5	Q63 Y80 R82 A84 V85 G86	K13-Q63 CarbonylContact C-O 3.49Å; K13-Q63 WeakPolarHBondContact CA-O 3.18Å; K13-Y80 WeakPolarHBondContact CE-O 3.17Å; K13-Y80 PolarHBondContact NZ-O 2.81Å; K13-R82 PolarHBondContact NZ-O 3.36Å; K13-A84 HydrophobicContact CG-CB 4.32Å; K13-A84 WeakPolarHBondContact O-CA 3.35Å; K13-V85 WeakPolarHBondContact O-CG2 3.34Å; K13-V85 PolarHBondContact O-N 3.38Å; K13-G86 PolarHBondContact O-N 2.9Å
14	V	96.4	Very high	89	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.9	176.6	-179.3	0	0	0	0	109.6	Q63 I64 W65 G86 I168 L169	V14-Q63 PolarHBondContact N-O 3.09Å; V14-I64 HydrophobicContact CB-CG1 4.38Å; V14-I64 WeakPolarHBondContact O-CA 3.43Å; V14-W65 PolarHBondContact O-N 3.21Å; V14-G86 VanDerWaalsContact CA-O 3.27Å; V14-G86 WeakPolarHBondContact CA-O 3.37Å; V14-I168 HydrophobicContact CG1-CG2 4.31Å; V14-I168 HydrophobicContact CG2-CG2 3.92Å; V14-L169 HydrophobicContact CG2-CD2 3.88Å
15	V	96.6	Very high	91	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	140.2	175.1	-64.7	0	0	0	0	111	I17 W65 Y81 A84 G86 A87 L88 L109	V15-I17 HydrophobicContact CB-CG2 4.46Å; V15-I17 HydrophobicContact CG2-CG2 4.26Å; V15-W65 HydrophobicContact CG1-CB 4.26Å; V15-Y81 HydrophobicContact CG2-CD1 4.36Å; V15-A84 HydrophobicContact CG1-CB 3.89Å; V15-A84 HydrophobicContact CG2-CB 4.11Å; V15-G86 PolarHBondContact N-O 2.86Å; V15-A87 HydrophobicContact CG2-CB 3.77Å; V15-A87 VanDerWaalsContact O-CA 3.32Å; V15-A87 WeakPolarHBondContact O-CA 3.47Å; V15-L88 PolarHBondContact O-N 3.06Å; V15-L109 HydrophobicContact CG2-CD1 4.19Å
16	L	97.7	Very high	92.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.3	169.6	-48.8	-176.1	0	0	0	108.6	K24 L28 I64 W65 D66 T67 L88 F165	L16-K24 HydrophobicContact CB-CB 4.12Å; L16-K24 HydrophobicContact CB-CD 4.16Å; L16-K24 HydrophobicContact CB-CG 4.41Å; L16-K24 HydrophobicContact CD1-CB 4.36Å; L16-K24 WeakPolarHBondContact CD1-O 3.24Å; L16-L28 HydrophobicContact CD1-CB 3.91Å; L16-I64 HydrophobicContact CD1-CG2 4.25Å; L16-I64 HydrophobicContact CD2-CG2 4.19Å; L16-I64 HydrophobicContact CG-CG2 4Å; L16-W65 PolarHBondContact N-O 2.98Å; L16-D66 HydrophobicContact CD1-CB 4.25Å; L16-T67 PolarHBondContact O-N 3.4Å; L16-T67 PolarHBondContact O-OG1 2.76Å; L16-L88 HydrophobicContact CD2-CB 3.63Å; L16-L88 HydrophobicContact CD2-CD1 3.63Å; L16-L88 HydrophobicContact CD2-CG 3.79Å; L16-F165 HydrophobicContact CD1-CZ 4.27Å; L16-F165 HydrophobicContact CD2-CE1 3.86Å; L16-F165 HydrophobicContact CD2-CZ 3.98Å
17	I	96.4	Very high	94.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	161	-178	64.2	169.8	0	0	0	111.1	V15 K24 Y81 L88 L89 V90 W105 L109	V15-I17 HydrophobicContact CB-CG2 4.46Å; V15-I17 HydrophobicContact CG2-CG2 4.26Å; I17-K24 VanDerWaalsContact C-CD 3.49Å; I17-Y81 HydrophobicContact CG2-CD1 4.41Å; I17-Y81 HydrophobicContact CG2-CE1 3.46Å; I17-Y81 VanDerWaalsContact CG2-CE1 3.46Å; I17-L88 PolarHBondContact N-O 3.2Å; I17-L89 HydrophobicContact CD1-CD1 3.88Å; I17-L89 HydrophobicContact CG1-CB 4.27Å; I17-L89 HydrophobicContact CG1-CD1 3.78Å; I17-V90 PolarHBondContact O-N 3.39Å; I17-W105 HydrophobicContact CB-CE3 4.24Å; I17-W105 HydrophobicContact CD1-CB 4.39Å; I17-L109 HydrophobicContact CD1-CB 3.85Å; I17-L109 HydrophobicContact CD1-CD1 4.34Å; I17-L109 HydrophobicContact CD1-CD2 3.81Å; I17-L109 HydrophobicContact CD1-CG 4.22Å
18	G	96.4	Very high	95	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.01	14%	0.137	C	C	.	.	S	Bend	trans	132	171.9	-174.1	0	0	0	0	0	111.9	K24 G69 W105	G18-K24 PolarHBondContact O-NZ 3.34Å; G18-G69 WeakPolarHBondContact O-CA 3.48Å; G18-W105 VanDerWaalsContact C-CE2 3.46Å; G18-W105 WeakPolarHBondContact O-CZ2 3.31Å
19	D	95.6	Very high	95.4	Very high	18 Å²	18	20.5 Å²	20.5	10%	0.096	12%	0.122	C	C	.	.	S	Bend	trans	-59.6	163.1	-174.5	-81.2	0.5	0	0	0	113.9	V22 K24 T98 N101 R104 W105	D19-V22 HydrophobicContact CB-CG1 3.85Å; D19-V22 VanDerWaalsContact O-CG2 3.27Å; D19-V22 WeakPolarHBondContact O-CG2 3.44Å; D19-K24 PolarHBondContact O-NZ 2.92Å; D19-T98 HydrophobicContact CB-CG2 4.2Å; D19-N101 PolarHBondContact OD2-ND2 3.19Å; D19-R104 IonicContact OD1-NH2 3.34Å; D19-R104 PolarHBondContact OD1-NH2 2.83Å; D19-W105 PolarHBondContact OD1-NE1 2.84Å
20	S	93.8	Very high	95.8	Very high	42 Å²	42	18.9 Å²	18.9	29%	0.294	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	138.3	171.6	-166.8	0	0	0	0	110.9	V22 S42 G69	S20-V22 VanDerWaalsContact C-N 3.31Å; S20-V22 PolarHBondContact O-N 3.41Å; S20-S42 PolarHBondContact OG-OG 3.26Å; S20-G69 PolarHBondContact N-O 3.27Å; S20-G69 VanDerWaalsContact N-O 3.13Å
21	G	94	Very high	96.1	Very high	47 Å²	47	16.1 Å²	16.1	49%	0.485	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	3.9	174.9	0	0	0	0	0	115.9	G23 K125	G21-G23 PolarHBondContact O-N 3.36Å; G21-K125 WeakPolarHBondContact O-CE 3.42Å; G21-K125 PolarHBondContact O-NZ 3.17Å
22	V	96.9	Very high	96.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-71.3	-17.2	173.6	-57.2	0	0	0	0	113.1	D19 S20 K24 V90 D92 T98 N124 K125	D19-V22 HydrophobicContact CB-CG1 3.85Å; D19-V22 VanDerWaalsContact O-CG2 3.27Å; D19-V22 WeakPolarHBondContact O-CG2 3.44Å; S20-V22 VanDerWaalsContact C-N 3.31Å; S20-V22 PolarHBondContact O-N 3.41Å; V22-K24 HydrophobicContact CG2-CD 4.32Å; V22-K24 HydrophobicContact CG2-CG 3.65Å; V22-V90 HydrophobicContact CB-CG1 4.31Å; V22-V90 HydrophobicContact CG2-CB 3.93Å; V22-V90 HydrophobicContact CG2-CG1 3.82Å; V22-D92 HydrophobicContact CB-CB 4.37Å; V22-D92 HydrophobicContact CG1-CB 4.27Å; V22-T98 HydrophobicContact CG1-CG2 3.81Å; V22-N124 PolarHBondContact O-ND2 3.13Å; V22-K125 WeakPolarHBondContact O-CE 3.49Å
23	G	97.4	Very high	96.2	Very high	11 Å²	11	18.7 Å²	18.7	11%	0.113	11%	0.107	C	C	.	.	S	Bend	trans	106.7	19	172.8	0	0	0	0	0	115.8	G21 S25 N26 L27	G21-G23 PolarHBondContact O-N 3.36Å; G23-S25 PolarHBondContact O-N 2.83Å; G23-N26 PolarHBondContact O-N 2.98Å; G23-N26 VanDerWaalsContact O-N 3.14Å; G23-L27 PolarHBondContact O-N 3.13Å
24	K	96.9	Very high	96.2	Very high	9 Å²	9	22.2 Å²	22.2	4%	0.039	13%	0.128	C	C	.	.	H	α-helix	trans	-51.8	-50.4	177.3	-55.4	-171.6	-60.1	-76.9	0	113.4	L16 I17 G18 D19 V22 N26 L27 L28 D66 T67 V90	L16-K24 HydrophobicContact CB-CB 4.12Å; L16-K24 HydrophobicContact CB-CD 4.16Å; L16-K24 HydrophobicContact CB-CG 4.41Å; L16-K24 HydrophobicContact CD1-CB 4.36Å; L16-K24 WeakPolarHBondContact CD1-O 3.24Å; I17-K24 VanDerWaalsContact C-CD 3.49Å; G18-K24 PolarHBondContact O-NZ 3.34Å; D19-K24 PolarHBondContact O-NZ 2.92Å; V22-K24 HydrophobicContact CG2-CD 4.32Å; V22-K24 HydrophobicContact CG2-CG 3.65Å; K24-N26 VanDerWaalsContact C-N 3.29Å; K24-N26 PolarHBondContact O-N 2.96Å; K24-L27 WeakPolarHBondContact O-CB 3.43Å; K24-L27 PolarHBondContact O-N 2.79Å; K24-L27 VanDerWaalsContact O-N 3.12Å; K24-L28 PolarHBondContact O-N 2.85Å; K24-D66 WeakPolarHBondContact CB-OD1 3.39Å; K24-T67 WeakPolarHBondContact CE-O 3.47Å; K24-V90 HydrophobicContact CG-CB 4.06Å; K24-V90 HydrophobicContact CG-CG2 4.11Å
25	S	96.2	Very high	96.2	Very high	13 Å²	13	27.1 Å²	27.1	9%	0.091	15%	0.151	C	C	.	.	H	α-helix	trans	-63.5	-34.3	178.8	-36.8	0	0	0	0	112.9	G23 L28 S29 T43 D66	G23-S25 PolarHBondContact O-N 2.83Å; S25-L28 PolarHBondContact O-N 3.31Å; S25-S29 VanDerWaalsContact O-CB 3.32Å; S25-S29 WeakPolarHBondContact O-CB 3.39Å; S25-S29 PolarHBondContact O-N 2.78Å; S25-S29 PolarHBondContact O-OG 2.68Å; S25-T43 PolarHBondContact OG-OG1 3.5Å; S25-D66 WeakPolarHBondContact CA-OD2 3.44Å; S25-D66 VanDerWaalsContact CB-OD2 3.25Å; S25-D66 WeakPolarHBondContact CB-OD2 3.49Å; S25-D66 PolarHBondContact OG-OD2 3.44Å
26	N	97.5	Very high	96.1	Very high	14 Å²	14	30.2 Å²	30.2	8%	0.075	16%	0.164	C	C	.	.	H	α-helix	trans	-72.5	-36.1	174.8	-85.7	-33.4	0	0	0	111.7	G23 K24 R30 F36 N37 A155	G23-N26 PolarHBondContact O-N 2.98Å; G23-N26 VanDerWaalsContact O-N 3.14Å; K24-N26 VanDerWaalsContact C-N 3.29Å; K24-N26 PolarHBondContact O-N 2.96Å; N26-R30 WeakPolarHBondContact O-CB 3.34Å; N26-R30 PolarHBondContact O-N 3.48Å; N26-F36 HydrophobicContact CB-CD2 3.86Å; N26-F36 HydrophobicContact CB-CE2 4.01Å; N26-F36 WeakPolarHBondContact ND2-CE2 3.43Å; N26-N37 PolarHBondContact ND2-O 3.33Å; N26-N37 PolarHBondContact OD1-N 3.3Å; N26-N37 PolarHBondContact OD1-O 2.9Å; N26-A155 HydrophobicContact CB-CB 3.76Å
27	L	98.3	Very high	95.9	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-45.2	170.7	-72.8	170.7	0	0	0	111.1	G23 K24 R30 F31 V90 V122 N124 A155 V161 F165	G23-L27 PolarHBondContact O-N 3.13Å; K24-L27 WeakPolarHBondContact O-CB 3.43Å; K24-L27 PolarHBondContact O-N 2.79Å; K24-L27 VanDerWaalsContact O-N 3.12Å; L27-R30 PolarHBondContact O-N 2.82Å; L27-F31 VanDerWaalsContact O-CB 3.31Å; L27-F31 WeakPolarHBondContact O-CB 3.48Å; L27-F31 PolarHBondContact O-N 3.49Å; L27-V90 HydrophobicContact CD1-CG1 3.86Å; L27-V90 HydrophobicContact CD1-CG2 4.14Å; L27-V122 HydrophobicContact CD1-CG1 4.33Å; L27-N124 HydrophobicContact CD1-CB 4.27Å; L27-A155 HydrophobicContact CD2-CB 3.98Å; L27-A155 HydrophobicContact CG-CB 4.26Å; L27-V161 HydrophobicContact CD2-CG1 4.36Å; L27-V161 HydrophobicContact CD2-CG2 3.8Å; L27-F165 HydrophobicContact CB-CE2 4.32Å; L27-F165 HydrophobicContact CB-CZ 4.46Å
28	L	97.3	Very high	95.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.4	-50.7	176	-178.1	61.5	0	0	0	111.8	L16 K24 S25 F31 T32 E47 A49 I64 D66	L16-L28 HydrophobicContact CD1-CB 3.91Å; K24-L28 PolarHBondContact O-N 2.85Å; S25-L28 PolarHBondContact O-N 3.31Å; L28-F31 PolarHBondContact O-N 2.76Å; L28-T32 HydrophobicContact CD1-CG2 3.88Å; L28-T32 WeakPolarHBondContact O-CB 3.45Å; L28-T32 WeakPolarHBondContact O-CG2 3.45Å; L28-T32 PolarHBondContact O-N 3.46Å; L28-T32 PolarHBondContact O-OG1 2.86Å; L28-E47 HydrophobicContact CD2-CB 4.37Å; L28-E47 HydrophobicContact CD2-CG 4.02Å; L28-A49 HydrophobicContact CD1-CB 3.98Å; L28-A49 HydrophobicContact CD2-CB 4.25Å; L28-A49 HydrophobicContact CG-CB 4.27Å; L28-I64 HydrophobicContact CD1-CB 3.7Å; L28-I64 HydrophobicContact CD1-CD1 4.23Å; L28-I64 HydrophobicContact CD1-CG2 3.5Å; L28-D66 HydrophobicContact CD2-CB 3.66Å
29	S	95.9	Very high	94.9	Very high	14 Å²	14	49.2 Å²	49.2	10%	0.098	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-41.3	-179.8	-60.2	0	0	0	0	111.4	S25 R33 N34 E35	S25-S29 VanDerWaalsContact O-CB 3.32Å; S25-S29 WeakPolarHBondContact O-CB 3.39Å; S25-S29 PolarHBondContact O-N 2.78Å; S25-S29 PolarHBondContact O-OG 2.68Å; S29-R33 CarbonylContact O-C 3.6Å; S29-R33 WeakPolarHBondContact O-CA 3.37Å; S29-R33 WeakPolarHBondContact O-CB 3.44Å; S29-R33 PolarHBondContact O-N 3.21Å; S29-R33 PolarHBondContact OG-NH2 3.19Å; S29-N34 PolarHBondContact O-N 3Å; S29-N34 VanDerWaalsContact O-N 3.15Å; S29-E35 CarbonylContact C-O 3.59Å; S29-E35 WeakPolarHBondContact CB-O 3.42Å; S29-E35 PolarHBondContact O-N 3.35Å
30	R	97.3	Very high	94.3	Very high	39 Å²	39	50.8 Å²	50.8	15%	0.147	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-44.9	177.4	179.6	59.2	71.6	-171.2	5	111.2	N26 L27 N34 E35 A155 L156 S158 V161	N26-R30 WeakPolarHBondContact O-CB 3.34Å; N26-R30 PolarHBondContact O-N 3.48Å; L27-R30 PolarHBondContact O-N 2.82Å; R30-N34 WeakPolarHBondContact CD-OD1 3.35Å; R30-N34 VanDerWaalsContact NH1-C 3.34Å; R30-N34 PolarHBondContact NH1-O 2.91Å; R30-N34 PolarHBondContact NH1-OD1 3.3Å; R30-N34 WeakPolarHBondContact O-CA 3.23Å; R30-N34 PolarHBondContact O-N 3.03Å; R30-N34 VanDerWaalsContact O-N 3.1Å; R30-E35 VanDerWaalsContact CA-O 3.29Å; R30-E35 WeakPolarHBondContact CA-O 3.36Å; R30-E35 PolarHBondContact N-O 3.16Å; R30-A155 PolarHBondContact NE-O 2.97Å; R30-A155 PolarHBondContact NH2-O 3.07Å; R30-L156 PolarHBondContact NH2-O 2.7Å; R30-S158 VanDerWaalsContact CD-OG 3.25Å; R30-S158 WeakPolarHBondContact CD-OG 3.33Å; R30-S158 PolarHBondContact NE-OG 2.93Å; R30-V161 HydrophobicContact CB-CG1 4.2Å; R30-V161 HydrophobicContact CG-CB 4.19Å; R30-V161 HydrophobicContact CG-CG1 3.93Å; R30-V161 HydrophobicContact CG-CG2 4.03Å
31	F	96.8	Very high	93.8	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.018	30%	0.297	C	S	.	.	H	α-helix	trans	-66.3	-47.3	177.6	-176.9	-113.7	0	0	0	111.5	L27 L28 R51 I64 V161 E162 F165	L27-F31 VanDerWaalsContact O-CB 3.31Å; L27-F31 WeakPolarHBondContact O-CB 3.48Å; L27-F31 PolarHBondContact O-N 3.49Å; L28-F31 PolarHBondContact O-N 2.76Å; F31-R51 HydrophobicContact CD1-CB 4.43Å; F31-R51 HydrophobicContact CE1-CB 3.82Å; F31-R51 HydrophobicContact CE1-CG 4.04Å; F31-R51 HydrophobicContact CZ-CB 4.48Å; F31-R51 HydrophobicContact CZ-CG 4.26Å; F31-R51 WeakPolarHBondContact O-CD 3.36Å; F31-R51 VanDerWaalsContact O-CZ 3.32Å; F31-R51 PolarHBondContact O-NH1 3Å; F31-I64 HydrophobicContact CD1-CD1 3.56Å; F31-I64 HydrophobicContact CE1-CD1 3.53Å; F31-V161 HydrophobicContact CB-CG1 3.99Å; F31-E162 WeakPolarHBondContact CE2-OE2 3.32Å; F31-F165 HydrophobicContact CB-CD2 3.67Å; F31-F165 HydrophobicContact CB-CE2 3.61Å; F31-F165 HydrophobicContact CB-CG 4.34Å; F31-F165 HydrophobicContact CB-CZ 4.2Å; F31-F165 HydrophobicContact CD1-CB 4.16Å; F31-F165 AromaticContact CD1-CD1 3.88Å; F31-F165 HydrophobicContact CD1-CD1 3.88Å; F31-F165 AromaticContact CD1-CD2 3.96Å; F31-F165 HydrophobicContact CD1-CD2 3.96Å; F31-F165 HydrophobicContact CD1-CE1 4.24Å; F31-F165 HydrophobicContact CD1-CE2 4.34Å; F31-F165 AromaticContact CD1-CG 3.73Å; F31-F165 HydrophobicContact CD1-CG 3.73Å; F31-F165 HydrophobicContact CD1-CZ 4.46Å; F31-F165 HydrophobicContact CD2-CB 3.65Å; F31-F165 AromaticContact CD2-CD2 3.52Å; F31-F165 HydrophobicContact CD2-CD2 3.52Å; F31-F165 HydrophobicContact CD2-CE2 4.35Å; F31-F165 AromaticContact CD2-CG 3.7Å; F31-F165 HydrophobicContact CD2-CG 3.7Å; F31-F165 HydrophobicContact CE1-CB 3.84Å; F31-F165 HydrophobicContact CE1-CD1 4.01Å; F31-F165 AromaticContact CE1-CG 3.88Å; F31-F165 HydrophobicContact CE1-CG 3.88Å; F31-F165 HydrophobicContact CE2-CB 3.32Å; F31-F165 HydrophobicContact CE2-CD2 4.15Å; F31-F165 AromaticContact CE2-CG 3.87Å; F31-F165 HydrophobicContact CE2-CG 3.87Å; F31-F165 HydrophobicContact CG-CB 4.08Å; F31-F165 HydrophobicContact CG-CD1 4.22Å; F31-F165 AromaticContact CG-CD2 3.44Å; F31-F165 HydrophobicContact CG-CD2 3.44Å; F31-F165 VanDerWaalsContact CG-CD2 3.44Å; F31-F165 AromaticContact CG-CE2 3.86Å; F31-F165 HydrophobicContact CG-CE2 3.86Å; F31-F165 AromaticContact CG-CG 3.65Å; F31-F165 HydrophobicContact CG-CG 3.65Å; F31-F165 HydrophobicContact CG-CZ 4.4Å; F31-F165 HydrophobicContact CZ-CB 3.43Å; F31-F165 VanDerWaalsContact CZ-CB 3.43Å; F31-F165 HydrophobicContact CZ-CD1 4.47Å; F31-F165 AromaticContact CZ-CG 3.97Å; F31-F165 HydrophobicContact CZ-CG 3.97Å
32	T	94.6	Very high	93.3	Very high	33 Å²	33	58.1 Å²	58.1	20%	0.202	29%	0.293	C	S	.	.	H	α-helix	trans	-86.3	-31.4	-169.9	55.2	0	0	0	0	114.3	L28 A49 R51	L28-T32 HydrophobicContact CD1-CG2 3.88Å; L28-T32 WeakPolarHBondContact O-CB 3.45Å; L28-T32 WeakPolarHBondContact O-CG2 3.45Å; L28-T32 PolarHBondContact O-N 3.46Å; L28-T32 PolarHBondContact O-OG1 2.86Å; T32-A49 HydrophobicContact CG2-CB 3.75Å; T32-R51 HydrophobicContact CG2-CB 4.42Å
33	R	93.6	Very high	92.3	Very high	106 Å²	106	59.4 Å²	59.4	40%	0.4	30%	0.3	S	S	.	.	H	α-helix	trans	-127.8	-3.8	-170.6	-61.7	-177.1	-68.6	-96.7	7.8	113.6	S29 E35 E47	S29-R33 CarbonylContact O-C 3.6Å; S29-R33 WeakPolarHBondContact O-CA 3.37Å; S29-R33 WeakPolarHBondContact O-CB 3.44Å; S29-R33 PolarHBondContact O-N 3.21Å; S29-R33 PolarHBondContact OG-NH2 3.19Å; R33-E35 HydrophobicContact CB-CB 4.24Å; R33-E35 HydrophobicContact CB-CG 3.86Å; R33-E35 WeakPolarHBondContact CD-OE2 3.39Å; R33-E35 IonicContact NE-OE2 2.95Å; R33-E35 PolarHBondContact NE-OE2 3.4Å; R33-E35 PolarHBondContact O-N 2.68Å; R33-E47 IonicContact CZ-OE1 3.67Å; R33-E47 IonicContact NH1-OE1 3.39Å; R33-E47 PolarHBondContact NH1-OE1 3.06Å; R33-E47 IonicContact NH2-OE1 2.94Å; R33-E47 PolarHBondContact NH2-OE1 3.02Å
34	N	95.1	Very high	91.2	Very high	113 Å²	113	65.2 Å²	65.2	60%	0.604	33%	0.327	S	S	*	.	S	Bend	trans	55.8	39.2	-170.2	-165.6	24.8	0	0	0	113	S29 R30	S29-N34 PolarHBondContact O-N 3Å; S29-N34 VanDerWaalsContact O-N 3.15Å; R30-N34 WeakPolarHBondContact CD-OD1 3.35Å; R30-N34 VanDerWaalsContact NH1-C 3.34Å; R30-N34 PolarHBondContact NH1-O 2.91Å; R30-N34 PolarHBondContact NH1-OD1 3.3Å; R30-N34 WeakPolarHBondContact O-CA 3.23Å; R30-N34 PolarHBondContact O-N 3.03Å; R30-N34 VanDerWaalsContact O-N 3.1Å
35	E	95.6	Very high	90.2	Very high	104 Å²	104	65.6 Å²	65.6	49%	0.486	33%	0.334	S	S	.	.			trans	-115.9	148.3	-177.4	-72	171.7	171.4	0	0	111.9	S29 R30 R33	S29-E35 CarbonylContact C-O 3.59Å; S29-E35 WeakPolarHBondContact CB-O 3.42Å; S29-E35 PolarHBondContact O-N 3.35Å; R30-E35 VanDerWaalsContact CA-O 3.29Å; R30-E35 WeakPolarHBondContact CA-O 3.36Å; R30-E35 PolarHBondContact N-O 3.16Å; R33-E35 HydrophobicContact CB-CB 4.24Å; R33-E35 HydrophobicContact CB-CG 3.86Å; R33-E35 WeakPolarHBondContact CD-OE2 3.39Å; R33-E35 IonicContact NE-OE2 2.95Å; R33-E35 PolarHBondContact NE-OE2 3.4Å; R33-E35 PolarHBondContact O-N 2.68Å
36	F	95.5	Very high	89.6	Confident	64 Å²	64	66.8 Å²	66.8	28%	0.281	34%	0.341	S	S	.	.			trans	-136.4	134.9	170.6	174.8	-91.5	0	0	0	110.1	N26 L38 A155 L156	N26-F36 HydrophobicContact CB-CD2 3.86Å; N26-F36 HydrophobicContact CB-CE2 4.01Å; N26-F36 WeakPolarHBondContact ND2-CE2 3.43Å; F36-L38 HydrophobicContact CE1-CB 3.94Å; F36-L38 HydrophobicContact CE1-CD1 4.02Å; F36-L38 HydrophobicContact CZ-CD1 4.22Å; F36-A155 HydrophobicContact CD2-CB 3.97Å; F36-A155 WeakPolarHBondContact CD2-O 3.49Å; F36-A155 HydrophobicContact CE2-CB 4.2Å; F36-L156 HydrophobicContact CD1-CD1 3.73Å; F36-L156 HydrophobicContact CD2-CB 4.44Å; F36-L156 HydrophobicContact CE1-CD1 3.51Å; F36-L156 HydrophobicContact CE2-CB 4.08Å; F36-L156 HydrophobicContact CG-CD1 4.35Å; F36-L156 HydrophobicContact CZ-CB 4.12Å; F36-L156 HydrophobicContact CZ-CD1 3.94Å
37	N	92.4	Very high	89.2	Confident	88 Å²	88	69 Å²	69	47%	0.471	35%	0.35	S	S	.	.			trans	-119.9	111.5	176.1	-173.8	-5.8	0	0	0	110.4	N26 E39 S40	N26-N37 PolarHBondContact ND2-O 3.33Å; N26-N37 PolarHBondContact OD1-N 3.3Å; N26-N37 PolarHBondContact OD1-O 2.9Å; N37-E39 VanDerWaalsContact C-N 3.25Å; N37-E39 PolarHBondContact O-N 2.82Å; N37-E39 WeakPolarHBondContact OD1-CA 3.47Å; N37-E39 PolarHBondContact OD1-N 3.27Å; N37-S40 VanDerWaalsContact O-CB 3.32Å; N37-S40 WeakPolarHBondContact O-CB 3.49Å; N37-S40 PolarHBondContact O-N 2.88Å
38	L	88.4	Confident	88.9	Confident	150 Å²	150	73.2 Å²	73.2	79%	0.785	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-33.1	176.9	-171.3	66.8	0	0	0	111.9	F36 S40	F36-L38 HydrophobicContact CE1-CB 3.94Å; F36-L38 HydrophobicContact CE1-CD1 4.02Å; F36-L38 HydrophobicContact CZ-CD1 4.22Å; L38-S40 VanDerWaalsContact C-N 3.26Å; L38-S40 PolarHBondContact O-N 3.11Å
39	E	85.1	Confident	88.8	Confident	163 Å²	163	73.8 Å²	73.8	76%	0.762	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	23.9	179.4	-58	-171.8	169.7	0	0	112.5	N37 K41	N37-E39 VanDerWaalsContact C-N 3.25Å; N37-E39 PolarHBondContact O-N 2.82Å; N37-E39 WeakPolarHBondContact OD1-CA 3.47Å; N37-E39 PolarHBondContact OD1-N 3.27Å; E39-K41 PolarHBondContact O-N 3.16Å
40	S	81.9	Confident	88.7	Confident	51 Å²	51	76.2 Å²	76.2	36%	0.357	39%	0.388	S	S	.	.			trans	-54.2	115.8	176.5	179.1	0	0	0	0	110.5	N37 L38	N37-S40 VanDerWaalsContact O-CB 3.32Å; N37-S40 WeakPolarHBondContact O-CB 3.49Å; N37-S40 PolarHBondContact O-N 2.88Å; L38-S40 VanDerWaalsContact C-N 3.26Å; L38-S40 PolarHBondContact O-N 3.11Å
41	K	83	Confident	88.5	Confident	187 Å²	187	77.6 Å²	77.6	81%	0.813	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-76.9	162.4	177.4	-65.5	-176.8	-178.7	176.4	0	110.2	E39 T43	E39-K41 PolarHBondContact O-N 3.16Å; K41-T43 PolarHBondContact O-N 3.14Å
42	S	84.6	Confident	88.3	Confident	56 Å²	56	80 Å²	80	39%	0.392	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-57.8	125.1	172.5	-67.5	0	0	0	0	110.8	S20 I44 Q70	S20-S42 PolarHBondContact OG-OG 3.26Å; S42-I44 PolarHBondContact O-N 3.03Å; S42-Q70 PolarHBondContact OG-NE2 2.95Å
43	T	76.2	Confident	88	Confident	27 Å²	27	79.4 Å²	79.4	17%	0.166	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-59.7	125	173.5	-44.2	0	0	0	0	110.1	S25 K41 D66 A68	S25-T43 PolarHBondContact OG-OG1 3.5Å; K41-T43 PolarHBondContact O-N 3.14Å; T43-D66 PolarHBondContact OG1-OD2 2.97Å; T43-A68 WeakPolarHBondContact O-CB 3.26Å
44	I	73.9	Confident	87.8	Confident	132 Å²	132	78.8 Å²	78.8	68%	0.677	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-102.6	119.8	171.4	-60.6	175.2	0	0	0	106.6	S42	S42-I44 PolarHBondContact O-N 3.03Å
45	G	75.3	Confident	87.4	Confident	18 Å²	18	74 Å²	74	19%	0.186	39%	0.392	C	S	.	.	S	Bend	trans	78.3	-129.4	-172.6	0	0	0	0	0	111.7	A68	G45-A68 WeakPolarHBondContact O-CB 3.35Å; G45-A68 PolarHBondContact O-N 2.83Å; G45-A68 VanDerWaalsContact O-N 3.09Å
46	V	83.5	Confident	86.9	Confident	37 Å²	37	75.4 Å²	75.4	22%	0.224	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	134.2	-174.4	-176.4	0	0	0	0	110.5	W65 D66 T67 I76 Y80	V46-W65 HydrophobicContact CG1-CB 3.98Å; V46-W65 HydrophobicContact CG1-CD2 4.47Å; V46-W65 HydrophobicContact CG1-CE3 3.66Å; V46-D66 CarbonylContact C-O 3.33Å; V46-D66 VanDerWaalsContact CA-O 3.22Å; V46-D66 WeakPolarHBondContact CA-O 3.03Å; V46-D66 VanDerWaalsContact CG1-O 3.23Å; V46-D66 WeakPolarHBondContact CG1-O 3.34Å; V46-T67 HydrophobicContact CG2-CG2 4.46Å; V46-I76 HydrophobicContact CG2-CG2 4.39Å; V46-Y80 HydrophobicContact CB-CE1 4.39Å; V46-Y80 HydrophobicContact CB-CE2 4.13Å; V46-Y80 HydrophobicContact CG1-CD1 4.37Å; V46-Y80 HydrophobicContact CG1-CE1 4.24Å; V46-Y80 HydrophobicContact CG2-CD2 3.62Å; V46-Y80 HydrophobicContact CG2-CE1 4.32Å; V46-Y80 HydrophobicContact CG2-CE2 3.27Å; V46-Y80 HydrophobicContact CG2-CG 4.29Å
47	E	89.6	Confident	86.5	Confident	60 Å²	60	75.4 Å²	75.4	28%	0.28	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	139.5	168.1	-177.3	-179	162.7	0	0	109.1	L28 R33 W65 D66	L28-E47 HydrophobicContact CD2-CB 4.37Å; L28-E47 HydrophobicContact CD2-CG 4.02Å; R33-E47 IonicContact CZ-OE1 3.67Å; R33-E47 IonicContact NH1-OE1 3.39Å; R33-E47 PolarHBondContact NH1-OE1 3.06Å; R33-E47 IonicContact NH2-OE1 2.94Å; R33-E47 PolarHBondContact NH2-OE1 3.02Å; E47-W65 CarbonylContact O-C 3.39Å; E47-W65 WeakPolarHBondContact O-CA 3.2Å; E47-D66 HydrophobicContact CB-CB 4.21Å; E47-D66 PolarHBondContact N-O 2.96Å; E47-D66 PolarHBondContact O-N 3.39Å
48	F	91.8	Very high	86.4	Confident	91 Å²	91	74.7 Å²	74.7	40%	0.399	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	133	-179.2	173.2	-104.8	0	0	0	110	T50 Q63 I64 W65	F48-T50 HydrophobicContact CE1-CG2 3.73Å; F48-T50 HydrophobicContact CE2-CG2 4.34Å; F48-T50 HydrophobicContact CZ-CG2 3.46Å; F48-T50 VanDerWaalsContact CZ-CG2 3.46Å; F48-Q63 HydrophobicContact CE2-CB 3.78Å; F48-Q63 HydrophobicContact CE2-CG 3.86Å; F48-Q63 HydrophobicContact CZ-CB 4.29Å; F48-Q63 HydrophobicContact CZ-CG 3.86Å; F48-I64 WeakPolarHBondContact CA-O 3.49Å; F48-W65 HydrophobicContact CB-CE3 4.02Å; F48-W65 HydrophobicContact CB-CZ3 4.01Å; F48-W65 AromaticContact CD2-CD2 3.65Å; F48-W65 HydrophobicContact CD2-CD2 3.65Å; F48-W65 AromaticContact CD2-CE2 3.49Å; F48-W65 VanDerWaalsContact CD2-CE2 3.49Å; F48-W65 AromaticContact CD2-CE3 3.85Å; F48-W65 HydrophobicContact CD2-CE3 3.85Å; F48-W65 HydrophobicContact CD2-CG 4.26Å; F48-W65 AromaticContact CD2-CH2 3.89Å; F48-W65 HydrophobicContact CD2-CH2 3.89Å; F48-W65 AromaticContact CD2-CZ2 3.64Å; F48-W65 HydrophobicContact CD2-CZ2 3.64Å; F48-W65 AromaticContact CD2-CZ3 3.96Å; F48-W65 HydrophobicContact CD2-CZ3 3.96Å; F48-W65 AromaticContact CD2-NE1 3.92Å; F48-W65 HydrophobicContact CE2-CD2 4.34Å; F48-W65 AromaticContact CE2-CE2 3.72Å; F48-W65 HydrophobicContact CE2-CH2 4.32Å; F48-W65 AromaticContact CE2-CZ2 3.74Å; F48-W65 HydrophobicContact CE2-CZ2 3.74Å; F48-W65 AromaticContact CE2-NE1 3.87Å; F48-W65 HydrophobicContact CG-CE3 4.33Å; F48-W65 HydrophobicContact CG-CH2 4.32Å; F48-W65 HydrophobicContact CG-CZ2 4.49Å; F48-W65 HydrophobicContact CG-CZ3 4.21Å
49	A	94.6	Very high	86.5	Confident	12 Å²	12	70 Å²	70	10%	0.099	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	157.3	170.6	0	0	0	0	0	111	L28 T32 I64	L28-A49 HydrophobicContact CD1-CB 3.98Å; L28-A49 HydrophobicContact CD2-CB 4.25Å; L28-A49 HydrophobicContact CG-CB 4.27Å; T32-A49 HydrophobicContact CG2-CB 3.75Å; A49-I64 PolarHBondContact N-O 3.17Å; A49-I64 PolarHBondContact O-N 2.92Å
50	T	94	Very high	86.8	Confident	66 Å²	66	62.2 Å²	62.2	41%	0.405	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	142.5	175.3	56.7	0	0	0	0	111	F48 A62 Q63	F48-T50 HydrophobicContact CE1-CG2 3.73Å; F48-T50 HydrophobicContact CE2-CG2 4.34Å; F48-T50 HydrophobicContact CZ-CG2 3.46Å; F48-T50 VanDerWaalsContact CZ-CG2 3.46Å; T50-A62 CarbonylContact C-O 3.53Å; T50-A62 WeakPolarHBondContact CA-O 3.36Å; T50-Q63 HydrophobicContact CG2-CG 4.24Å
51	R	92.9	Very high	87.4	Confident	67 Å²	67	61.1 Å²	61.1	25%	0.253	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	129.2	168.9	-171.8	160.8	176.8	-147.5	-15.4	109.8	F31 T32 A62 E162	F31-R51 HydrophobicContact CD1-CB 4.43Å; F31-R51 HydrophobicContact CE1-CB 3.82Å; F31-R51 HydrophobicContact CE1-CG 4.04Å; F31-R51 HydrophobicContact CZ-CB 4.48Å; F31-R51 HydrophobicContact CZ-CG 4.26Å; F31-R51 WeakPolarHBondContact O-CD 3.36Å; F31-R51 VanDerWaalsContact O-CZ 3.32Å; F31-R51 PolarHBondContact O-NH1 3Å; T32-R51 HydrophobicContact CG2-CB 4.42Å; R51-A62 PolarHBondContact N-O 3.27Å; R51-A62 VanDerWaalsContact O-CB 3.31Å; R51-A62 WeakPolarHBondContact O-CB 3.45Å; R51-A62 PolarHBondContact O-N 3.22Å; R51-E162 IonicContact CZ-OE1 3.49Å; R51-E162 IonicContact CZ-OE2 2.69Å; R51-E162 IonicContact NH1-OE1 2.71Å; R51-E162 PolarHBondContact NH1-OE1 2.86Å; R51-E162 IonicContact NH1-OE2 2.77Å; R51-E162 PolarHBondContact NH1-OE2 3.13Å; R51-E162 VanDerWaalsContact NH2-CD 3.32Å; R51-E162 IonicContact NH2-OE1 3.86Å; R51-E162 PolarHBondContact NH2-OE1 2.85Å; R51-E162 IonicContact NH2-OE2 3.44Å; R51-E162 PolarHBondContact NH2-OE2 2.85Å; R51-E162 VanDerWaalsContact NH2-OE2 3.09Å
52	S	92.1	Very high	87.9	Confident	54 Å²	54	52.2 Å²	52.2	38%	0.378	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	135.5	174.2	-60.9	0	0	0	0	109.9	V60	S52-V60 WeakPolarHBondContact CA-O 3.29Å
53	I	89.8	Confident	88.4	Confident	21 Å²	21	52.1 Å²	52.1	11%	0.108	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	156.5	172.6	64.1	163.6	0	0	0	109.8	V55 V60 T166 L169	I53-V55 HydrophobicContact CD1-CG2 3.63Å; I53-V55 HydrophobicContact CG1-CG2 4.04Å; I53-V60 HydrophobicContact CG1-CB 4.13Å; I53-V60 PolarHBondContact N-O 3.14Å; I53-V60 PolarHBondContact O-N 3.15Å; I53-T166 HydrophobicContact CD1-CG2 4.46Å; I53-L169 HydrophobicContact CD1-CB 3.72Å; I53-L169 HydrophobicContact CD1-CD1 3.47Å; I53-L169 VanDerWaalsContact CD1-CD1 3.47Å; I53-L169 HydrophobicContact CD1-CG 4.24Å; I53-L169 HydrophobicContact CG1-CD1 4.05Å
54	C	88.7	Confident	89.4	Confident	93 Å²	93	50.8 Å²	50.8	63%	0.628	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	122.8	173.5	-170.5	0	0	0	0	109.4	K58	C54-K58 CarbonylContact C-O 3.58Å; C54-K58 WeakPolarHBondContact CA-O 3.27Å
55	V	85.9	Confident	90.4	Very high	13 Å²	13	47.2 Å²	47.2	8%	0.079	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	120.1	176.7	-176.9	0	0	0	0	107.5	I53 G57 K58 V60 T170 W173	I53-V55 HydrophobicContact CD1-CG2 3.63Å; I53-V55 HydrophobicContact CG1-CG2 4.04Å; V55-G57 PolarHBondContact O-N 2.88Å; V55-G57 VanDerWaalsContact O-N 3.14Å; V55-K58 PolarHBondContact N-O 3.35Å; V55-K58 WeakPolarHBondContact O-CA 3.43Å; V55-K58 VanDerWaalsContact O-CB 3.32Å; V55-K58 WeakPolarHBondContact O-CB 3.32Å; V55-K58 PolarHBondContact O-N 3.07Å; V55-V60 HydrophobicContact CB-CG2 4.29Å; V55-V60 HydrophobicContact CG2-CG2 4.18Å; V55-T170 HydrophobicContact CG1-CG2 3.92Å; V55-T170 HydrophobicContact CG2-CG2 3.95Å; V55-W173 HydrophobicContact CG1-CB 4.18Å; V55-W173 VanDerWaalsContact CG1-CD1 3.48Å; V55-W173 HydrophobicContact CG1-CG 3.79Å
56	D	86.5	Confident	91.3	Very high	134 Å²	134	46.4 Å²	46.4	72%	0.717	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	39.1	-179	-57.9	-25.4	0	0	0	114.4	K58 W173	D56-K58 PolarHBondContact O-N 3.05Å; D56-W173 PolarHBondContact OD2-NE1 2.95Å
57	G	87.2	Confident	91.5	Very high	64 Å²	64	44.6 Å²	44.6	66%	0.66	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.4	4.9	-178.1	0	0	0	0	0	114.8	V55	V55-G57 PolarHBondContact O-N 2.88Å; V55-G57 VanDerWaalsContact O-N 3.14Å
58	K	88.6	Confident	91.3	Very high	73 Å²	73	41.8 Å²	41.8	32%	0.317	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	138.9	175.4	-62.5	-60.2	-165.9	173.2	0	111.2	D9 Y10 C54 V55 D56 V60 W173	D9-K58 HydrophobicContact CB-CB 4.24Å; D9-K58 HydrophobicContact CB-CD 4.05Å; D9-K58 VanDerWaalsContact CG-CD 3.49Å; D9-K58 WeakPolarHBondContact OD1-CD 3.46Å; D9-K58 IonicContact OD1-NZ 2.98Å; D9-K58 PolarHBondContact OD1-NZ 2.92Å; D9-K58 WeakPolarHBondContact OD2-CA 3.24Å; Y10-K58 HydrophobicContact CD2-CB 4.35Å; Y10-K58 HydrophobicContact CE2-CB 4.27Å; Y10-K58 HydrophobicContact CE2-CD 4.39Å; Y10-K58 HydrophobicContact CE2-CG 4.23Å; C54-K58 CarbonylContact C-O 3.58Å; C54-K58 WeakPolarHBondContact CA-O 3.27Å; V55-K58 PolarHBondContact N-O 3.35Å; V55-K58 WeakPolarHBondContact O-CA 3.43Å; V55-K58 VanDerWaalsContact O-CB 3.32Å; V55-K58 WeakPolarHBondContact O-CB 3.32Å; V55-K58 PolarHBondContact O-N 3.07Å; D56-K58 PolarHBondContact O-N 3.05Å; K58-V60 PolarHBondContact O-N 2.88Å; K58-W173 HydrophobicContact CB-CH2 4.2Å; K58-W173 HydrophobicContact CB-CZ2 4.32Å; K58-W173 HydrophobicContact CG-CH2 3.76Å; K58-W173 HydrophobicContact CG-CZ2 3.82Å
59	V	91.4	Very high	90.5	Very high	50 Å²	50	37.8 Å²	37.8	30%	0.303	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	112.3	176.1	-178.9	0	0	0	0	108.8	D9 Y10	D9-V59 PolarHBondContact N-O 3.35Å; D9-V59 PolarHBondContact OD2-N 3.34Å; Y10-V59 PolarHBondContact N-O 3.28Å
60	V	91.6	Very high	89.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	115.1	173.4	-179.6	0	0	0	0	108.3	Y10 F12 S52 I53 V55 K58 L169	Y10-V60 WeakPolarHBondContact O-CA 3.45Å; F12-V60 HydrophobicContact CB-CG1 4.13Å; F12-V60 HydrophobicContact CD2-CG1 3.47Å; F12-V60 VanDerWaalsContact CD2-CG1 3.47Å; F12-V60 HydrophobicContact CE2-CG1 3.93Å; F12-V60 HydrophobicContact CG-CG1 3.78Å; S52-V60 WeakPolarHBondContact CA-O 3.29Å; I53-V60 HydrophobicContact CG1-CB 4.13Å; I53-V60 PolarHBondContact N-O 3.14Å; I53-V60 PolarHBondContact O-N 3.15Å; V55-V60 HydrophobicContact CB-CG2 4.29Å; V55-V60 HydrophobicContact CG2-CG2 4.18Å; K58-V60 PolarHBondContact O-N 2.88Å; V60-L169 HydrophobicContact CG1-CD2 4.42Å
61	K	93.8	Very high	88.8	Confident	29 Å²	29	42.1 Å²	42.1	13%	0.126	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	109.1	171.6	-169.1	164.8	-170.6	160.1	0	108.8	E5 D6 Y8 Y10 L11 F12	E5-K61 PolarHBondContact O-NZ 3.32Å; D6-K61 IonicContact OD1-NZ 2.62Å; D6-K61 PolarHBondContact OD1-NZ 3.23Å; Y8-K61 HydrophobicContact CD1-CB 4Å; Y8-K61 HydrophobicContact CD1-CD 3.5Å; Y8-K61 HydrophobicContact CD1-CG 4.4Å; Y8-K61 HydrophobicContact CD2-CB 4.4Å; Y8-K61 HydrophobicContact CE1-CD 3.95Å; Y8-K61 HydrophobicContact CG-CB 3.79Å; Y8-K61 HydrophobicContact CG-CD 4.19Å; Y10-K61 PolarHBondContact O-N 3.3Å; L11-K61 WeakPolarHBondContact CA-O 3.41Å; L11-K61 HydrophobicContact CD1-CB 4.01Å; L11-K61 HydrophobicContact CD1-CD 4.41Å; L11-K61 HydrophobicContact CD1-CG 4.11Å; F12-K61 PolarHBondContact N-O 2.84Å
62	A	94	Very high	88.3	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	130.4	173.7	0	0	0	0	0	110.2	F12 T50 R51 I64 L169	F12-A62 CarbonylContact O-C 3.4Å; F12-A62 WeakPolarHBondContact O-CA 3.45Å; T50-A62 CarbonylContact C-O 3.53Å; T50-A62 WeakPolarHBondContact CA-O 3.36Å; R51-A62 PolarHBondContact N-O 3.27Å; R51-A62 VanDerWaalsContact O-CB 3.31Å; R51-A62 WeakPolarHBondContact O-CB 3.45Å; R51-A62 PolarHBondContact O-N 3.22Å; A62-I64 HydrophobicContact CB-CD1 4.34Å; A62-I64 HydrophobicContact CB-CG1 4.14Å; A62-L169 HydrophobicContact CB-CD1 3.8Å; A62-L169 HydrophobicContact CB-CD2 3.77Å; A62-L169 HydrophobicContact CB-CG 4.45Å
63	Q	95.5	Very high	87.8	Confident	53 Å²	53	47.5 Å²	47.5	25%	0.248	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	105	169.6	-80.5	-168.2	-14.3	0	0	108.4	L11 F12 K13 V14 F48 T50	L11-Q63 HydrophobicContact CD1-CG 3.74Å; L11-Q63 HydrophobicContact CG-CG 4.33Å; F12-Q63 PolarHBondContact O-N 3.49Å; K13-Q63 CarbonylContact C-O 3.49Å; K13-Q63 WeakPolarHBondContact CA-O 3.18Å; V14-Q63 PolarHBondContact N-O 3.09Å; F48-Q63 HydrophobicContact CE2-CB 3.78Å; F48-Q63 HydrophobicContact CE2-CG 3.86Å; F48-Q63 HydrophobicContact CZ-CB 4.29Å; F48-Q63 HydrophobicContact CZ-CG 3.86Å; T50-Q63 HydrophobicContact CG2-CG 4.24Å
64	I	96.4	Very high	87.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.4	-171.2	-49.9	168.3	0	0	0	109.2	V14 L16 L28 F31 F48 A49 A62 F165	V14-I64 HydrophobicContact CB-CG1 4.38Å; V14-I64 WeakPolarHBondContact O-CA 3.43Å; L16-I64 HydrophobicContact CD1-CG2 4.25Å; L16-I64 HydrophobicContact CD2-CG2 4.19Å; L16-I64 HydrophobicContact CG-CG2 4Å; L28-I64 HydrophobicContact CD1-CB 3.7Å; L28-I64 HydrophobicContact CD1-CD1 4.23Å; L28-I64 HydrophobicContact CD1-CG2 3.5Å; F31-I64 HydrophobicContact CD1-CD1 3.56Å; F31-I64 HydrophobicContact CE1-CD1 3.53Å; F48-I64 WeakPolarHBondContact CA-O 3.49Å; A49-I64 PolarHBondContact N-O 3.17Å; A49-I64 PolarHBondContact O-N 2.92Å; A62-I64 HydrophobicContact CB-CD1 4.34Å; A62-I64 HydrophobicContact CB-CG1 4.14Å; I64-F165 HydrophobicContact CD1-CD1 3.86Å; I64-F165 HydrophobicContact CD1-CE1 3.83Å; I64-F165 HydrophobicContact CG2-CE1 3.97Å
65	W	95.3	Very high	86.8	Confident	57 Å²	57	49.1 Å²	49.1	22%	0.216	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	108.5	-178.7	-60	83.8	0	0	0	109.4	V14 V15 L16 V46 E47 F48 Y80	V14-W65 PolarHBondContact O-N 3.21Å; V15-W65 HydrophobicContact CG1-CB 4.26Å; L16-W65 PolarHBondContact N-O 2.98Å; V46-W65 HydrophobicContact CG1-CB 3.98Å; V46-W65 HydrophobicContact CG1-CD2 4.47Å; V46-W65 HydrophobicContact CG1-CE3 3.66Å; E47-W65 CarbonylContact O-C 3.39Å; E47-W65 WeakPolarHBondContact O-CA 3.2Å; F48-W65 HydrophobicContact CB-CE3 4.02Å; F48-W65 HydrophobicContact CB-CZ3 4.01Å; F48-W65 AromaticContact CD2-CD2 3.65Å; F48-W65 HydrophobicContact CD2-CD2 3.65Å; F48-W65 AromaticContact CD2-CE2 3.49Å; F48-W65 VanDerWaalsContact CD2-CE2 3.49Å; F48-W65 AromaticContact CD2-CE3 3.85Å; F48-W65 HydrophobicContact CD2-CE3 3.85Å; F48-W65 HydrophobicContact CD2-CG 4.26Å; F48-W65 AromaticContact CD2-CH2 3.89Å; F48-W65 HydrophobicContact CD2-CH2 3.89Å; F48-W65 AromaticContact CD2-CZ2 3.64Å; F48-W65 HydrophobicContact CD2-CZ2 3.64Å; F48-W65 AromaticContact CD2-CZ3 3.96Å; F48-W65 HydrophobicContact CD2-CZ3 3.96Å; F48-W65 AromaticContact CD2-NE1 3.92Å; F48-W65 HydrophobicContact CE2-CD2 4.34Å; F48-W65 AromaticContact CE2-CE2 3.72Å; F48-W65 HydrophobicContact CE2-CH2 4.32Å; F48-W65 AromaticContact CE2-CZ2 3.74Å; F48-W65 HydrophobicContact CE2-CZ2 3.74Å; F48-W65 AromaticContact CE2-NE1 3.87Å; F48-W65 HydrophobicContact CG-CE3 4.33Å; F48-W65 HydrophobicContact CG-CH2 4.32Å; F48-W65 HydrophobicContact CG-CZ2 4.49Å; F48-W65 HydrophobicContact CG-CZ3 4.21Å; W65-Y80 AromaticContact CD2-CD1 3.8Å; W65-Y80 HydrophobicContact CD2-CD1 3.8Å; W65-Y80 HydrophobicContact CD2-CE1 4.19Å; W65-Y80 AromaticContact CE3-CD1 3.5Å; W65-Y80 HydrophobicContact CE3-CD1 3.5Å; W65-Y80 AromaticContact CE3-CE1 3.43Å; W65-Y80 HydrophobicContact CE3-CE1 3.43Å; W65-Y80 VanDerWaalsContact CE3-CE1 3.43Å; W65-Y80 HydrophobicContact CG-CD1 4.36Å; W65-Y80 HydrophobicContact CH2-CD1 4.46Å; W65-Y80 HydrophobicContact CH2-CE1 4.1Å; W65-Y80 AromaticContact CZ3-CD1 3.87Å; W65-Y80 HydrophobicContact CZ3-CD1 3.87Å; W65-Y80 AromaticContact CZ3-CE1 3.38Å; W65-Y80 HydrophobicContact CZ3-CE1 3.38Å
66	D	93.2	Very high	86.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	115.6	170.6	173.2	42.1	0	0	0	110.2	L16 K24 S25 L28 T43 V46 E47	L16-D66 HydrophobicContact CD1-CB 4.25Å; K24-D66 WeakPolarHBondContact CB-OD1 3.39Å; S25-D66 WeakPolarHBondContact CA-OD2 3.44Å; S25-D66 VanDerWaalsContact CB-OD2 3.25Å; S25-D66 WeakPolarHBondContact CB-OD2 3.49Å; S25-D66 PolarHBondContact OG-OD2 3.44Å; L28-D66 HydrophobicContact CD2-CB 3.66Å; T43-D66 PolarHBondContact OG1-OD2 2.97Å; V46-D66 CarbonylContact C-O 3.33Å; V46-D66 VanDerWaalsContact CA-O 3.22Å; V46-D66 WeakPolarHBondContact CA-O 3.03Å; V46-D66 VanDerWaalsContact CG1-O 3.23Å; V46-D66 WeakPolarHBondContact CG1-O 3.34Å; E47-D66 HydrophobicContact CB-CB 4.21Å; E47-D66 PolarHBondContact N-O 2.96Å; E47-D66 PolarHBondContact O-N 3.39Å
67	T	88.8	Confident	86.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	152.6	-172.6	69.7	0	0	0	0	113.1	L16 K24 V46 G69 T77	L16-T67 PolarHBondContact O-N 3.4Å; L16-T67 PolarHBondContact O-OG1 2.76Å; K24-T67 WeakPolarHBondContact CE-O 3.47Å; V46-T67 HydrophobicContact CG2-CG2 4.46Å; T67-G69 PolarHBondContact O-N 3.35Å; T67-T77 HydrophobicContact CG2-CG2 3.97Å
68	A	85.6	Confident	86	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.			trans	-61.1	130.3	171.9	0	0	0	0	0	111.4	T43 G45 Y73 T77	T43-A68 WeakPolarHBondContact O-CB 3.26Å; G45-A68 WeakPolarHBondContact O-CB 3.35Å; G45-A68 PolarHBondContact O-N 2.83Å; G45-A68 VanDerWaalsContact O-N 3.09Å; A68-Y73 HydrophobicContact CB-CD2 3.81Å; A68-Y73 HydrophobicContact CB-CG 4.13Å; A68-T77 PolarHBondContact O-OG1 3.13Å
69	G	75.5	Confident	85.8	Confident	8 Å²	8	43.8 Å²	43.8	8%	0.082	23%	0.226	C	C	.	.			trans	-92	8.6	178.3	0	0	0	0	0	114.9	G18 S20 T67	G18-G69 WeakPolarHBondContact O-CA 3.48Å; S20-G69 PolarHBondContact N-O 3.27Å; S20-G69 VanDerWaalsContact N-O 3.13Å; T67-G69 PolarHBondContact O-N 3.35Å
70	Q	80.2	Confident	85.7	Confident	67 Å²	67	44.6 Å²	44.6	31%	0.313	22%	0.224	S	C	.	.	S	Bend	trans	-96	137.7	177.6	-60.8	-171.4	12.8	0	0	110.9	S42 R72 Y73	S42-Q70 PolarHBondContact OG-NE2 2.95Å; Q70-R72 HydrophobicContact CB-CG 4.24Å; Q70-R72 PolarHBondContact O-N 3.21Å; Q70-R72 VanDerWaalsContact O-N 3.14Å; Q70-Y73 HydrophobicContact CB-CD2 3.94Å; Q70-Y73 HydrophobicContact CB-CE2 4.34Å; Q70-Y73 PolarHBondContact O-N 2.84Å
71	E	72.4	Confident	85.7	Confident	101 Å²	101	44.6 Å²	44.6	47%	0.472	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-53.2	-38.9	-178.8	-70.5	-139	-177.9	0	0	114.2	Y73 R74 R104	E71-Y73 PolarHBondContact O-N 2.91Å; E71-R74 WeakPolarHBondContact O-CB 3.27Å; E71-R74 WeakPolarHBondContact O-CG 3.49Å; E71-R74 PolarHBondContact O-N 3.02Å; E71-R74 IonicContact OE1-CZ 3.17Å; E71-R74 IonicContact OE1-NH1 2.84Å; E71-R74 IonicContact OE1-NH2 3.17Å; E71-R74 PolarHBondContact OE1-NH2 2.95Å; E71-R74 IonicContact OE2-CZ 2.9Å; E71-R74 IonicContact OE2-NH1 2.71Å; E71-R74 PolarHBondContact OE2-NH1 2.81Å; E71-R74 IonicContact OE2-NH2 3.54Å; E71-R74 PolarHBondContact OE2-NH2 2.77Å; E71-R74 VanDerWaalsContact OE2-NH2 3.17Å; E71-R104 IonicContact OE1-CZ 3.13Å; E71-R104 IonicContact OE1-NH1 2.81Å; E71-R104 PolarHBondContact OE1-NH1 3.44Å; E71-R104 IonicContact OE1-NH2 3.27Å
72	R	82.4	Confident	85.6	Confident	193 Å²	193	52.9 Å²	52.9	73%	0.728	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-60.4	-14.6	-179	70.6	178.1	-62.1	-175.8	2	114.1	Q70	Q70-R72 HydrophobicContact CB-CG 4.24Å; Q70-R72 PolarHBondContact O-N 3.21Å; Q70-R72 VanDerWaalsContact O-N 3.14Å
73	Y	81.5	Confident	85.4	Confident	41 Å²	41	54.5 Å²	54.5	16%	0.161	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-108.1	7.8	178.9	-57.2	-57.3	0	0	0	113.5	A68 Q70 E71 A75 I76 T77	A68-Y73 HydrophobicContact CB-CD2 3.81Å; A68-Y73 HydrophobicContact CB-CG 4.13Å; Q70-Y73 HydrophobicContact CB-CD2 3.94Å; Q70-Y73 HydrophobicContact CB-CE2 4.34Å; Q70-Y73 PolarHBondContact O-N 2.84Å; E71-Y73 PolarHBondContact O-N 2.91Å; Y73-A75 VanDerWaalsContact C-N 3.31Å; Y73-A75 PolarHBondContact O-N 2.83Å; Y73-I76 HydrophobicContact CD1-CD1 4.29Å; Y73-I76 WeakPolarHBondContact O-CA 3.45Å; Y73-I76 WeakPolarHBondContact O-CB 3.23Å; Y73-I76 PolarHBondContact O-N 3.47Å; Y73-T77 PolarHBondContact O-N 3.49Å; Y73-T77 PolarHBondContact O-OG1 2.91Å
74	R	77.8	Confident	85.4	Confident	64 Å²	64	52 Å²	52	24%	0.242	26%	0.259	C	S	.	.	H	α-helix	trans	-51.6	-42.3	-178	-86.9	-175.6	176.3	147.3	17.1	115.1	E71 I76 T77 S78 E108	E71-R74 WeakPolarHBondContact O-CB 3.27Å; E71-R74 WeakPolarHBondContact O-CG 3.49Å; E71-R74 PolarHBondContact O-N 3.02Å; E71-R74 IonicContact OE1-CZ 3.17Å; E71-R74 IonicContact OE1-NH1 2.84Å; E71-R74 IonicContact OE1-NH2 3.17Å; E71-R74 PolarHBondContact OE1-NH2 2.95Å; E71-R74 IonicContact OE2-CZ 2.9Å; E71-R74 IonicContact OE2-NH1 2.71Å; E71-R74 PolarHBondContact OE2-NH1 2.81Å; E71-R74 IonicContact OE2-NH2 3.54Å; E71-R74 PolarHBondContact OE2-NH2 2.77Å; E71-R74 VanDerWaalsContact OE2-NH2 3.17Å; R74-I76 PolarHBondContact O-N 2.96Å; R74-T77 PolarHBondContact O-N 3.16Å; R74-S78 WeakPolarHBondContact O-CB 3.35Å; R74-S78 PolarHBondContact O-N 3.5Å; R74-S78 PolarHBondContact O-OG 3.45Å; R74-E108 WeakPolarHBondContact CD-OE2 3.45Å; R74-E108 IonicContact NE-OE2 3.74Å; R74-E108 PolarHBondContact NE-OE2 3.18Å
75	A	79.3	Confident	85.2	Confident	84 Å²	84	53.9 Å²	53.9	69%	0.694	27%	0.271	S	S	*	.	H	α-helix	trans	-62.3	-32.8	179.2	0	0	0	0	0	112.1	Y73 S78	Y73-A75 VanDerWaalsContact C-N 3.31Å; Y73-A75 PolarHBondContact O-N 2.83Å; A75-S78 PolarHBondContact O-OG 3.48Å
76	I	78.7	Confident	85.3	Confident	77 Å²	77	51.1 Å²	51.1	40%	0.395	26%	0.26	S	S	.	.	H	α-helix	trans	-73	-48.5	174.5	-61.6	174.3	0	0	0	109	V46 Y73 R74 S78 A79 Y80	V46-I76 HydrophobicContact CG2-CG2 4.39Å; Y73-I76 HydrophobicContact CD1-CD1 4.29Å; Y73-I76 WeakPolarHBondContact O-CA 3.45Å; Y73-I76 WeakPolarHBondContact O-CB 3.23Å; Y73-I76 PolarHBondContact O-N 3.47Å; R74-I76 PolarHBondContact O-N 2.96Å; I76-S78 PolarHBondContact O-N 2.86Å; I76-A79 WeakPolarHBondContact O-CB 3.37Å; I76-A79 PolarHBondContact O-N 2.96Å; I76-Y80 HydrophobicContact CG2-CE2 3.84Å; I76-Y80 WeakPolarHBondContact O-CD2 3.43Å; I76-Y80 VanDerWaalsContact O-CE2 3.32Å; I76-Y80 WeakPolarHBondContact O-CE2 3.44Å
77	T	80.6	Confident	85.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58	-48.9	-178.6	-60.1	0	0	0	0	112.9	T67 A68 Y73 R74 A79 Y80 Y81 W105	T67-T77 HydrophobicContact CG2-CG2 3.97Å; A68-T77 PolarHBondContact O-OG1 3.13Å; Y73-T77 PolarHBondContact O-N 3.49Å; Y73-T77 PolarHBondContact O-OG1 2.91Å; R74-T77 PolarHBondContact O-N 3.16Å; T77-A79 PolarHBondContact O-N 3.34Å; T77-Y80 PolarHBondContact O-N 2.9Å; T77-Y81 HydrophobicContact CG2-CE1 3.65Å; T77-Y81 VanDerWaalsContact CG2-OH 3.23Å; T77-Y81 WeakPolarHBondContact CG2-OH 3.49Å; T77-W105 HydrophobicContact CG2-CZ3 4.14Å
78	S	82.8	Confident	85.9	Confident	26 Å²	26	51.2 Å²	51.2	18%	0.182	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-29.1	-179.8	51.9	0	0	0	0	113.8	R74 A75 I76 Y80 Y81	R74-S78 WeakPolarHBondContact O-CB 3.35Å; R74-S78 PolarHBondContact O-N 3.5Å; R74-S78 PolarHBondContact O-OG 3.45Å; A75-S78 PolarHBondContact O-OG 3.48Å; I76-S78 PolarHBondContact O-N 2.86Å; S78-Y80 PolarHBondContact O-N 2.97Å; S78-Y81 PolarHBondContact O-N 3.07Å
79	A	86.2	Confident	86.5	Confident	70 Å²	70	51.2 Å²	51.2	58%	0.579	26%	0.261	S	S	*	.	H	α-helix	trans	-63	-23.6	174.8	0	0	0	0	0	113	I76 T77	I76-A79 WeakPolarHBondContact O-CB 3.37Å; I76-A79 PolarHBondContact O-N 2.96Å; T77-A79 PolarHBondContact O-N 3.34Å
80	Y	88.5	Confident	87.6	Confident	66 Å²	66	50.8 Å²	50.8	26%	0.259	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-11.6	178.8	-65.3	-88.1	0	0	0	113.6	K13 V46 W65 I76 T77 S78	K13-Y80 WeakPolarHBondContact CE-O 3.17Å; K13-Y80 PolarHBondContact NZ-O 2.81Å; V46-Y80 HydrophobicContact CB-CE1 4.39Å; V46-Y80 HydrophobicContact CB-CE2 4.13Å; V46-Y80 HydrophobicContact CG1-CD1 4.37Å; V46-Y80 HydrophobicContact CG1-CE1 4.24Å; V46-Y80 HydrophobicContact CG2-CD2 3.62Å; V46-Y80 HydrophobicContact CG2-CE1 4.32Å; V46-Y80 HydrophobicContact CG2-CE2 3.27Å; V46-Y80 HydrophobicContact CG2-CG 4.29Å; W65-Y80 AromaticContact CD2-CD1 3.8Å; W65-Y80 HydrophobicContact CD2-CD1 3.8Å; W65-Y80 HydrophobicContact CD2-CE1 4.19Å; W65-Y80 AromaticContact CE3-CD1 3.5Å; W65-Y80 HydrophobicContact CE3-CD1 3.5Å; W65-Y80 AromaticContact CE3-CE1 3.43Å; W65-Y80 HydrophobicContact CE3-CE1 3.43Å; W65-Y80 VanDerWaalsContact CE3-CE1 3.43Å; W65-Y80 HydrophobicContact CG-CD1 4.36Å; W65-Y80 HydrophobicContact CH2-CD1 4.46Å; W65-Y80 HydrophobicContact CH2-CE1 4.1Å; W65-Y80 AromaticContact CZ3-CD1 3.87Å; W65-Y80 HydrophobicContact CZ3-CD1 3.87Å; W65-Y80 AromaticContact CZ3-CE1 3.38Å; W65-Y80 HydrophobicContact CZ3-CE1 3.38Å; I76-Y80 HydrophobicContact CG2-CE2 3.84Å; I76-Y80 WeakPolarHBondContact O-CD2 3.43Å; I76-Y80 VanDerWaalsContact O-CE2 3.32Å; I76-Y80 WeakPolarHBondContact O-CE2 3.44Å; T77-Y80 PolarHBondContact O-N 2.9Å; S78-Y80 PolarHBondContact O-N 2.97Å
81	Y	92.2	Very high	88.5	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-33.3	-179.5	-60.7	-13.5	0	0	0	112.7	V15 I17 T77 S78 G83 A84 E108 L109 H112	V15-Y81 HydrophobicContact CG2-CD1 4.36Å; I17-Y81 HydrophobicContact CG2-CD1 4.41Å; I17-Y81 HydrophobicContact CG2-CE1 3.46Å; I17-Y81 VanDerWaalsContact CG2-CE1 3.46Å; T77-Y81 HydrophobicContact CG2-CE1 3.65Å; T77-Y81 VanDerWaalsContact CG2-OH 3.23Å; T77-Y81 WeakPolarHBondContact CG2-OH 3.49Å; S78-Y81 PolarHBondContact O-N 3.07Å; Y81-G83 PolarHBondContact O-N 2.79Å; Y81-A84 VanDerWaalsContact O-CB 3.24Å; Y81-A84 WeakPolarHBondContact O-CB 3.45Å; Y81-A84 PolarHBondContact O-N 3.2Å; Y81-E108 HydrophobicContact CE2-CB 4.31Å; Y81-E108 HydrophobicContact CE2-CG 3.91Å; Y81-E108 VanDerWaalsContact CE2-OE1 3.3Å; Y81-E108 WeakPolarHBondContact CE2-OE1 3.25Å; Y81-E108 PolarHBondContact OH-OE1 2.97Å; Y81-L109 HydrophobicContact CD1-CD1 3.91Å; Y81-L109 HydrophobicContact CD2-CD1 4.12Å; Y81-L109 HydrophobicContact CE1-CD1 4.35Å; Y81-L109 HydrophobicContact CG-CD1 3.8Å; Y81-H112 HydrophobicContact CD2-CB 4.03Å
82	R	89.9	Confident	89.8	Confident	203 Å²	203	42.9 Å²	42.9	77%	0.766	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	128.5	-179.8	-179.6	175.2	-80.7	169.2	-5.2	111.2	K13 A84	K13-R82 PolarHBondContact NZ-O 3.36Å; R82-A84 PolarHBondContact O-N 2.97Å
83	G	91.3	Very high	90.5	Very high	34 Å²	34	33.7 Å²	33.7	35%	0.351	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	8	-178.7	0	0	0	0	0	114.5	Y81 V85 D114	Y81-G83 PolarHBondContact O-N 2.79Å; G83-V85 PolarHBondContact O-N 3.1Å; G83-D114 WeakPolarHBondContact CA-OD2 3.34Å; G83-D114 PolarHBondContact N-OD2 3.46Å
84	A	94.4	Very high	91.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.186	C	C	.	.			trans	-71.3	126.3	167.8	0	0	0	0	0	108.8	K13 V15 Y81 R82 I117	K13-A84 HydrophobicContact CG-CB 4.32Å; K13-A84 WeakPolarHBondContact O-CA 3.35Å; V15-A84 HydrophobicContact CG1-CB 3.89Å; V15-A84 HydrophobicContact CG2-CB 4.11Å; Y81-A84 VanDerWaalsContact O-CB 3.24Å; Y81-A84 WeakPolarHBondContact O-CB 3.45Å; Y81-A84 PolarHBondContact O-N 3.2Å; R82-A84 PolarHBondContact O-N 2.97Å; A84-I117 HydrophobicContact CB-CD1 4Å
85	V	93.7	Very high	92.3	Very high	40 Å²	40	35.1 Å²	35.1	24%	0.242	20%	0.198	C	C	.	.	S	Bend	trans	-90.8	-23.9	175.6	-58.9	0	0	0	0	110.8	F12 K13 G83 V118 Q172	F12-V85 HydrophobicContact CB-CG2 3.69Å; F12-V85 HydrophobicContact CD1-CG2 4.16Å; F12-V85 HydrophobicContact CD2-CG2 4.5Å; F12-V85 HydrophobicContact CG-CG2 3.88Å; K13-V85 WeakPolarHBondContact O-CG2 3.34Å; K13-V85 PolarHBondContact O-N 3.38Å; G83-V85 PolarHBondContact O-N 3.1Å; V85-V118 PolarHBondContact O-N 3.44Å; V85-Q172 HydrophobicContact CB-CG 4.14Å; V85-Q172 HydrophobicContact CG2-CG 4.12Å; V85-Q172 WeakPolarHBondContact O-CG 3.34Å; V85-Q172 PolarHBondContact O-NE2 3.44Å
86	G	95.6	Very high	93.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	151.7	177.1	0	0	0	0	0	113.1	K13 V14 V15 V118	K13-G86 PolarHBondContact O-N 2.9Å; V14-G86 VanDerWaalsContact CA-O 3.27Å; V14-G86 WeakPolarHBondContact CA-O 3.37Å; V15-G86 PolarHBondContact N-O 2.86Å; G86-V118 CarbonylContact C-O 3.59Å; G86-V118 VanDerWaalsContact CA-O 3.29Å; G86-V118 WeakPolarHBondContact CA-O 3.46Å
87	A	97.1	Very high	94.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	135.3	169.1	0	0	0	0	0	112	V15 L109 I117 V118 I119 M120	V15-A87 HydrophobicContact CG2-CB 3.77Å; V15-A87 VanDerWaalsContact O-CA 3.32Å; V15-A87 WeakPolarHBondContact O-CA 3.47Å; A87-L109 HydrophobicContact CB-CD1 4.34Å; A87-L109 HydrophobicContact CB-CD2 3.45Å; A87-L109 VanDerWaalsContact CB-CD2 3.45Å; A87-I117 HydrophobicContact CB-CD1 3.95Å; A87-V118 PolarHBondContact N-O 2.87Å; A87-I119 HydrophobicContact CB-CG1 4.48Å; A87-I119 HydrophobicContact CB-CG2 4.43Å; A87-I119 WeakPolarHBondContact O-CA 3.39Å; A87-M120 PolarHBondContact O-N 2.98Å
88	L	98.5	Very high	95	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	115.7	161.6	-58.9	-173.1	0	0	0	108.4	V15 L16 I17 V90 M120 V122 F165 I168	V15-L88 PolarHBondContact O-N 3.06Å; L16-L88 HydrophobicContact CD2-CB 3.63Å; L16-L88 HydrophobicContact CD2-CD1 3.63Å; L16-L88 HydrophobicContact CD2-CG 3.79Å; I17-L88 PolarHBondContact N-O 3.2Å; L88-V90 HydrophobicContact CB-CG2 4.1Å; L88-M120 HydrophobicContact CD2-CB 3.82Å; L88-M120 HydrophobicContact CD2-CG 4.29Å; L88-M120 HydrophobicContact CD2-SD 4.03Å; L88-V122 HydrophobicContact CB-CG2 4.07Å; L88-V122 HydrophobicContact CD1-CG2 4.47Å; L88-V122 HydrophobicContact CD2-CG2 3.88Å; L88-V122 HydrophobicContact CG-CG2 4.37Å; L88-F165 HydrophobicContact CD1-CD1 3.99Å; L88-F165 HydrophobicContact CD1-CD2 4.28Å; L88-F165 HydrophobicContact CD1-CE1 3.66Å; L88-F165 HydrophobicContact CD1-CE2 3.97Å; L88-F165 HydrophobicContact CD1-CG 4.29Å; L88-F165 HydrophobicContact CD1-CZ 3.65Å; L88-I168 HydrophobicContact CD2-CD1 4.17Å; L88-I168 HydrophobicContact CD2-CG1 3.45Å; L88-I168 VanDerWaalsContact CD2-CG1 3.45Å; L88-I168 HydrophobicContact CG-CG1 4.49Å
89	L	98.3	Very high	95.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	102.6	175.2	176.3	53.8	0	0	0	108.5	I17 V102 W105 L106 I119 M120 L121 V122	I17-L89 HydrophobicContact CD1-CD1 3.88Å; I17-L89 HydrophobicContact CG1-CB 4.27Å; I17-L89 HydrophobicContact CG1-CD1 3.78Å; L89-V102 HydrophobicContact CD1-CG1 4.42Å; L89-V102 HydrophobicContact CD2-CG1 3.5Å; L89-V102 VanDerWaalsContact CD2-CG1 3.5Å; L89-V102 HydrophobicContact CG-CG1 3.91Å; L89-W105 HydrophobicContact CD1-CB 3.47Å; L89-W105 VanDerWaalsContact CD1-CB 3.47Å; L89-W105 HydrophobicContact CD1-CG 4.29Å; L89-L106 HydrophobicContact CD2-CB 3.81Å; L89-L106 HydrophobicContact CD2-CD1 4.23Å; L89-I119 HydrophobicContact CB-CG2 4.34Å; L89-M120 PolarHBondContact N-O 3.02Å; L89-L121 HydrophobicContact CD2-CD1 4.41Å; L89-L121 HydrophobicContact CG-CD1 4.11Å; L89-L121 WeakPolarHBondContact O-CA 3.47Å; L89-V122 PolarHBondContact O-N 3.31Å
90	V	98.8	Very high	96.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.6	-164.5	-168.2	0	0	0	0	111.4	I17 V22 K24 L27 L88 V122 N124	I17-V90 PolarHBondContact O-N 3.39Å; V22-V90 HydrophobicContact CB-CG1 4.31Å; V22-V90 HydrophobicContact CG2-CB 3.93Å; V22-V90 HydrophobicContact CG2-CG1 3.82Å; K24-V90 HydrophobicContact CG-CB 4.06Å; K24-V90 HydrophobicContact CG-CG2 4.11Å; L27-V90 HydrophobicContact CD1-CG1 3.86Å; L27-V90 HydrophobicContact CD1-CG2 4.14Å; L88-V90 HydrophobicContact CB-CG2 4.1Å; V90-V122 WeakPolarHBondContact CA-O 3.38Å; V90-V122 HydrophobicContact CG1-CB 4.48Å; V90-V122 HydrophobicContact CG1-CG1 4.49Å; V90-V122 HydrophobicContact CG2-CB 4.26Å; V90-N124 HydrophobicContact CG1-CB 3.71Å
91	Y	98.8	Very high	96.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	166.5	167.9	73.9	-83.2	0	0	0	110.9	I93 Y99 V102 L121 V122 N124 V134 A139 F150	Y91-I93 HydrophobicContact CE2-CB 4.49Å; Y91-I93 HydrophobicContact CE2-CG2 3.93Å; Y91-Y99 HydrophobicContact CD1-CD2 4.33Å; Y91-Y99 HydrophobicContact CD2-CD2 4.25Å; Y91-Y99 HydrophobicContact CD2-CG 4.45Å; Y91-Y99 HydrophobicContact CE1-CD2 4.3Å; Y91-Y99 HydrophobicContact CE2-CD2 4.22Å; Y91-Y99 HydrophobicContact CG-CD2 4.3Å; Y91-V102 HydrophobicContact CD1-CG2 4.35Å; Y91-V102 HydrophobicContact CG-CG2 4.41Å; Y91-L121 HydrophobicContact CD1-CD1 3.75Å; Y91-L121 HydrophobicContact CD1-CG 4.2Å; Y91-L121 HydrophobicContact CE1-CD1 3.97Å; Y91-L121 HydrophobicContact CE1-CD2 4.18Å; Y91-L121 HydrophobicContact CE1-CG 3.9Å; Y91-V122 WeakPolarHBondContact CD1-O 3.4Å; Y91-V122 PolarHBondContact N-O 3.14Å; Y91-N124 WeakPolarHBondContact O-CB 3.3Å; Y91-N124 PolarHBondContact O-N 2.94Å; Y91-V134 HydrophobicContact CD2-CG2 4.28Å; Y91-V134 HydrophobicContact CE2-CB 3.9Å; Y91-V134 HydrophobicContact CE2-CG1 3.78Å; Y91-V134 HydrophobicContact CE2-CG2 4.02Å; Y91-A139 HydrophobicContact CE1-CB 4.33Å; Y91-A139 WeakPolarHBondContact OH-CB 3.31Å; Y91-F150 HydrophobicContact CE1-CE2 4.38Å
92	D	98.6	Very high	97	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.011	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.9	176.4	179.4	-15.4	0	0	0	109.2	V22 A94 K95 T98 K125	V22-D92 HydrophobicContact CB-CB 4.37Å; V22-D92 HydrophobicContact CG1-CB 4.27Å; D92-A94 PolarHBondContact O-N 3.21Å; D92-A94 VanDerWaalsContact O-N 3.07Å; D92-A94 WeakPolarHBondContact OD1-CB 3.34Å; D92-A94 PolarHBondContact OD1-N 3.17Å; D92-K95 HydrophobicContact CB-CB 4.16Å; D92-K95 HydrophobicContact CB-CG 4.43Å; D92-K95 PolarHBondContact O-N 2.84Å; D92-K95 WeakPolarHBondContact OD2-CD 3.38Å; D92-T98 HydrophobicContact CB-CG2 4.39Å; D92-T98 PolarHBondContact N-OG1 3.19Å; D92-T98 PolarHBondContact O-OG1 3.03Å; D92-K125 WeakPolarHBondContact OD2-CD 3.32Å; D92-K125 VanDerWaalsContact OD2-CE 3.3Å; D92-K125 WeakPolarHBondContact OD2-CE 3.08Å; D92-K125 IonicContact OD2-NZ 2.7Å; D92-K125 PolarHBondContact OD2-NZ 2.71Å
93	I	98.8	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.6	-176.9	66.1	149.1	0	0	0	113.4	Y91 N124 K125 A133 V134	Y91-I93 HydrophobicContact CE2-CB 4.49Å; Y91-I93 HydrophobicContact CE2-CG2 3.93Å; I93-N124 PolarHBondContact N-O 3.27Å; I93-K125 WeakPolarHBondContact CD1-O 3.2Å; I93-K125 WeakPolarHBondContact CG1-O 3.39Å; I93-A133 PolarHBondContact O-N 2.99Å; I93-V134 PolarHBondContact O-N 2.91Å; I93-V134 VanDerWaalsContact O-N 3.13Å
94	A	98.4	Very high	97.6	Very high	21 Å²	21	34.2 Å²	34.2	17%	0.174	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-1.4	178.9	0	0	0	0	0	112.8	D92 L128 L131	D92-A94 PolarHBondContact O-N 3.21Å; D92-A94 VanDerWaalsContact O-N 3.07Å; D92-A94 WeakPolarHBondContact OD1-CB 3.34Å; D92-A94 PolarHBondContact OD1-N 3.17Å; A94-L128 HydrophobicContact CB-CB 4.21Å; A94-L128 HydrophobicContact CB-CD1 4.26Å; A94-L131 WeakPolarHBondContact CA-O 3.48Å; A94-L131 HydrophobicContact CB-CB 4.04Å
95	K	98.1	Very high	97.6	Very high	114 Å²	114	34.2 Å²	34.2	50%	0.496	17%	0.169	S	C	.	.			trans	-134.3	96.6	-177.6	-62.3	-176.4	-178.1	-178.2	0	112	D92 V97 T98	D92-K95 HydrophobicContact CB-CB 4.16Å; D92-K95 HydrophobicContact CB-CG 4.43Å; D92-K95 PolarHBondContact O-N 2.84Å; D92-K95 WeakPolarHBondContact OD2-CD 3.38Å; K95-V97 VanDerWaalsContact C-N 3.28Å; K95-V97 PolarHBondContact O-N 3.47Å; K95-T98 HydrophobicContact CB-CG2 3.88Å; K95-T98 HydrophobicContact CD-CG2 4.43Å; K95-T98 PolarHBondContact O-N 3.24Å; K95-T98 PolarHBondContact O-OG1 2.79Å
96	H	98	Very high	97.8	Very high	63 Å²	63	32.6 Å²	32.6	29%	0.292	16%	0.158	S	C	.	.	H	α-helix	trans	-51.6	-41.4	-178.4	-165.6	-90.2	0	0	0	114.2	T98 Y99 E100 A133	H96-T98 PolarHBondContact O-N 3.34Å; H96-T98 VanDerWaalsContact O-N 3.14Å; H96-Y99 WeakPolarHBondContact O-CA 3.23Å; H96-Y99 WeakPolarHBondContact O-CB 3.48Å; H96-Y99 PolarHBondContact O-N 2.79Å; H96-E100 IonicContact CE1-OE1 3.35Å; H96-E100 PolarHBondContact CE1-OE1 3.18Å; H96-E100 IonicContact ND1-OE1 3.09Å; H96-E100 PolarHBondContact ND1-OE1 2.9Å; H96-E100 PolarHBondContact O-N 2.67Å; H96-A133 HydrophobicContact CB-CB 4.21Å; H96-A133 PolarHBondContact CD2-O 3.01Å
97	V	98.1	Very high	97.8	Very high	88 Å²	88	38.3 Å²	38.3	53%	0.533	18%	0.183	S	C	.	.	H	α-helix	trans	-55.7	-34.7	178.2	175.9	0	0	0	0	112.7	K95 Y99 E100 N101	K95-V97 VanDerWaalsContact C-N 3.28Å; K95-V97 PolarHBondContact O-N 3.47Å; V97-Y99 VanDerWaalsContact C-N 3.26Å; V97-Y99 PolarHBondContact O-N 2.88Å; V97-E100 PolarHBondContact O-N 3.39Å; V97-N101 PolarHBondContact O-N 3.45Å; V97-N101 VanDerWaalsContact O-N 3.12Å; V97-N101 PolarHBondContact O-ND2 3.37Å
98	T	98.2	Very high	97.6	Very high	11 Å²	11	39.4 Å²	39.4	7%	0.067	19%	0.188	C	C	.	.	H	α-helix	trans	-71.7	-25.4	179.2	69.7	0	0	0	0	112.4	D19 V22 D92 K95 H96	D19-T98 HydrophobicContact CB-CG2 4.2Å; V22-T98 HydrophobicContact CG1-CG2 3.81Å; D92-T98 HydrophobicContact CB-CG2 4.39Å; D92-T98 PolarHBondContact N-OG1 3.19Å; D92-T98 PolarHBondContact O-OG1 3.03Å; K95-T98 HydrophobicContact CB-CG2 3.88Å; K95-T98 HydrophobicContact CD-CG2 4.43Å; K95-T98 PolarHBondContact O-N 3.24Å; K95-T98 PolarHBondContact O-OG1 2.79Å; H96-T98 PolarHBondContact O-N 3.34Å; H96-T98 VanDerWaalsContact O-N 3.14Å
99	Y	98.7	Very high	97.4	Very high	17 Å²	17	39.4 Å²	39.4	7%	0.067	19%	0.188	C	C	.	.	H	α-helix	trans	-79.2	-42.3	172.6	170.8	-105.5	0	0	0	111.5	Y91 H96 V97 N101 V102 V134 E138 A139 Y142	Y91-Y99 HydrophobicContact CD1-CD2 4.33Å; Y91-Y99 HydrophobicContact CD2-CD2 4.25Å; Y91-Y99 HydrophobicContact CD2-CG 4.45Å; Y91-Y99 HydrophobicContact CE1-CD2 4.3Å; Y91-Y99 HydrophobicContact CE2-CD2 4.22Å; Y91-Y99 HydrophobicContact CG-CD2 4.3Å; H96-Y99 WeakPolarHBondContact O-CA 3.23Å; H96-Y99 WeakPolarHBondContact O-CB 3.48Å; H96-Y99 PolarHBondContact O-N 2.79Å; V97-Y99 VanDerWaalsContact C-N 3.26Å; V97-Y99 PolarHBondContact O-N 2.88Å; Y99-N101 PolarHBondContact O-N 3.22Å; Y99-V102 HydrophobicContact CD2-CG2 4.32Å; Y99-V102 WeakPolarHBondContact O-CB 3.34Å; Y99-V102 VanDerWaalsContact O-CG2 3.22Å; Y99-V102 WeakPolarHBondContact O-CG2 3.18Å; Y99-V102 PolarHBondContact O-N 2.96Å; Y99-V134 HydrophobicContact CD1-CG1 3.92Å; Y99-V134 HydrophobicContact CD1-CG2 4.37Å; Y99-V134 HydrophobicContact CD2-CG1 3.99Å; Y99-V134 HydrophobicContact CE1-CG1 4.29Å; Y99-V134 HydrophobicContact CE2-CG1 4.36Å; Y99-V134 HydrophobicContact CG-CG1 3.75Å; Y99-V134 HydrophobicContact CG-CG2 4.08Å; Y99-E138 HydrophobicContact CE1-CG 4.34Å; Y99-E138 VanDerWaalsContact CE1-OE1 3.25Å; Y99-E138 WeakPolarHBondContact CE1-OE1 3.5Å; Y99-E138 PolarHBondContact OH-O 2.98Å; Y99-A139 HydrophobicContact CE2-CB 4.02Å; Y99-Y142 HydrophobicContact CE2-CG 4.47Å; Y99-Y142 VanDerWaalsContact OH-CB 3.27Å; Y99-Y142 WeakPolarHBondContact OH-CB 3.46Å
100	E	98.1	Very high	97.3	Very high	108 Å²	108	44.9 Å²	44.9	51%	0.505	21%	0.209	S	C	.	.	H	α-helix	trans	-55.6	-40.2	173.1	-69.2	171.8	176.6	0	0	111.8	H96 V97 V102	H96-E100 IonicContact CE1-OE1 3.35Å; H96-E100 PolarHBondContact CE1-OE1 3.18Å; H96-E100 IonicContact ND1-OE1 3.09Å; H96-E100 PolarHBondContact ND1-OE1 2.9Å; H96-E100 PolarHBondContact O-N 2.67Å; V97-E100 PolarHBondContact O-N 3.39Å; E100-V102 PolarHBondContact O-N 2.87Å
101	N	97.6	Very high	97	Very high	39 Å²	39	49.4 Å²	49.4	21%	0.209	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-10	178.6	-72.7	-29.5	0	0	0	114.3	D19 V97 Y99 E103 R104 W105	D19-N101 PolarHBondContact OD2-ND2 3.19Å; V97-N101 PolarHBondContact O-N 3.45Å; V97-N101 VanDerWaalsContact O-N 3.12Å; V97-N101 PolarHBondContact O-ND2 3.37Å; Y99-N101 PolarHBondContact O-N 3.22Å; N101-E103 VanDerWaalsContact C-N 3.28Å; N101-E103 PolarHBondContact O-N 2.96Å; N101-R104 WeakPolarHBondContact O-CB 3.09Å; N101-R104 PolarHBondContact O-N 2.86Å; N101-W105 PolarHBondContact O-N 3Å
102	V	98.3	Very high	96.7	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-58	-40	177.6	168.3	0	0	0	0	111.2	L89 Y91 Y99 E100 R104 W105 L106 L121 Y142	L89-V102 HydrophobicContact CD1-CG1 4.42Å; L89-V102 HydrophobicContact CD2-CG1 3.5Å; L89-V102 VanDerWaalsContact CD2-CG1 3.5Å; L89-V102 HydrophobicContact CG-CG1 3.91Å; Y91-V102 HydrophobicContact CD1-CG2 4.35Å; Y91-V102 HydrophobicContact CG-CG2 4.41Å; Y99-V102 HydrophobicContact CD2-CG2 4.32Å; Y99-V102 WeakPolarHBondContact O-CB 3.34Å; Y99-V102 VanDerWaalsContact O-CG2 3.22Å; Y99-V102 WeakPolarHBondContact O-CG2 3.18Å; Y99-V102 PolarHBondContact O-N 2.96Å; E100-V102 PolarHBondContact O-N 2.87Å; V102-R104 VanDerWaalsContact C-N 3.29Å; V102-R104 PolarHBondContact O-N 3.04Å; V102-W105 PolarHBondContact O-N 3.12Å; V102-L106 WeakPolarHBondContact O-CB 3.34Å; V102-L106 PolarHBondContact O-N 3.24Å; V102-L121 HydrophobicContact CG1-CD1 3.62Å; V102-L121 HydrophobicContact CG2-CD1 4.06Å; V102-Y142 HydrophobicContact CG1-CD1 4.42Å; V102-Y142 HydrophobicContact CG1-CE1 3.56Å
103	E	97.6	Very high	96.5	Very high	140 Å²	140	54.5 Å²	54.5	65%	0.654	26%	0.26	S	S	*	.	H	α-helix	trans	-57.5	-44.9	-179.9	-179	172.7	-161.1	0	0	111.6	N101 L106 K107 Y142	N101-E103 VanDerWaalsContact C-N 3.28Å; N101-E103 PolarHBondContact O-N 2.96Å; E103-L106 PolarHBondContact O-N 2.85Å; E103-K107 WeakPolarHBondContact O-CB 3.41Å; E103-K107 PolarHBondContact O-N 2.96Å; E103-Y142 WeakPolarHBondContact CA-OH 3.22Å
104	R	95.3	Very high	96.1	Very high	73 Å²	73	58.9 Å²	58.9	28%	0.275	28%	0.283	S	S	.	.	H	α-helix	trans	-65.1	-45.1	177.7	179.7	-174.4	71.3	-175.5	5.1	112.3	D19 E71 N101 V102 K107 E108	D19-R104 IonicContact OD1-NH2 3.34Å; D19-R104 PolarHBondContact OD1-NH2 2.83Å; E71-R104 IonicContact OE1-CZ 3.13Å; E71-R104 IonicContact OE1-NH1 2.81Å; E71-R104 PolarHBondContact OE1-NH1 3.44Å; E71-R104 IonicContact OE1-NH2 3.27Å; N101-R104 WeakPolarHBondContact O-CB 3.09Å; N101-R104 PolarHBondContact O-N 2.86Å; V102-R104 VanDerWaalsContact C-N 3.29Å; V102-R104 PolarHBondContact O-N 3.04Å; R104-K107 PolarHBondContact O-N 2.81Å; R104-E108 WeakPolarHBondContact O-CB 3.49Å; R104-E108 PolarHBondContact O-N 3.42Å
105	W	95.8	Very high	95.6	Very high	1 Å²	1	67.2 Å²	67.2	0%	0.004	32%	0.318	C	S	.	.	H	α-helix	trans	-64.4	-40.6	177.6	-76.1	112.7	0	0	0	112	I17 G18 D19 T77 L89 N101 V102 E108 L109	I17-W105 HydrophobicContact CB-CE3 4.24Å; I17-W105 HydrophobicContact CD1-CB 4.39Å; G18-W105 VanDerWaalsContact C-CE2 3.46Å; G18-W105 WeakPolarHBondContact O-CZ2 3.31Å; D19-W105 PolarHBondContact OD1-NE1 2.84Å; T77-W105 HydrophobicContact CG2-CZ3 4.14Å; L89-W105 HydrophobicContact CD1-CB 3.47Å; L89-W105 VanDerWaalsContact CD1-CB 3.47Å; L89-W105 HydrophobicContact CD1-CG 4.29Å; N101-W105 PolarHBondContact O-N 3Å; V102-W105 PolarHBondContact O-N 3.12Å; W105-E108 PolarHBondContact O-N 3.46Å; W105-L109 WeakPolarHBondContact O-CB 3.49Å; W105-L109 PolarHBondContact O-N 3.12Å
106	L	97.1	Very high	95.1	Very high	5 Å²	5	66.5 Å²	66.5	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-62.7	-44.5	175.9	-179.8	60.2	0	0	0	111.4	L89 V102 E103 L109 R110 I119 Y142 N146 L148	L89-L106 HydrophobicContact CD2-CB 3.81Å; L89-L106 HydrophobicContact CD2-CD1 4.23Å; V102-L106 WeakPolarHBondContact O-CB 3.34Å; V102-L106 PolarHBondContact O-N 3.24Å; E103-L106 PolarHBondContact O-N 2.85Å; L106-L109 PolarHBondContact O-N 2.94Å; L106-R110 HydrophobicContact CD1-CG 4.4Å; L106-R110 WeakPolarHBondContact O-CB 3.1Å; L106-R110 WeakPolarHBondContact O-CG 3.36Å; L106-R110 PolarHBondContact O-N 3.34Å; L106-I119 HydrophobicContact CD1-CD1 3.84Å; L106-I119 HydrophobicContact CD1-CG2 4.37Å; L106-Y142 HydrophobicContact CD2-CE1 4.41Å; L106-Y142 WeakPolarHBondContact CD2-OH 3.48Å; L106-N146 HydrophobicContact CD2-CB 3.94Å; L106-L148 HydrophobicContact CD1-CD1 4.35Å; L106-L148 HydrophobicContact CD1-CD2 3.91Å; L106-L148 HydrophobicContact CD2-CD1 4.09Å; L106-L148 HydrophobicContact CD2-CD2 4.49Å
107	K	95.4	Very high	94.9	Very high	121 Å²	121	64.4 Å²	64.4	53%	0.526	31%	0.311	S	S	.	.	H	α-helix	trans	-60	-50.1	175.6	177.7	169.6	174.9	18.7	0	111.2	E103 R104 L109 R110 D111	E103-K107 WeakPolarHBondContact O-CB 3.41Å; E103-K107 PolarHBondContact O-N 2.96Å; R104-K107 PolarHBondContact O-N 2.81Å; K107-L109 VanDerWaalsContact C-N 3.29Å; K107-L109 PolarHBondContact O-N 2.82Å; K107-R110 PolarHBondContact O-N 3.46Å; K107-D111 IonicContact NZ-OD1 2.68Å; K107-D111 PolarHBondContact NZ-OD1 3.33Å; K107-D111 IonicContact NZ-OD2 3.37Å; K107-D111 PolarHBondContact NZ-OD2 3.39Å; K107-D111 PolarHBondContact O-N 2.9Å
108	E	93.3	Very high	94.7	Very high	23 Å²	23	62.2 Å²	62.2	11%	0.107	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-41.4	-179.5	-161.8	-167.5	113.9	0	0	111.8	R74 Y81 R104 W105 D111 H112	R74-E108 WeakPolarHBondContact CD-OE2 3.45Å; R74-E108 IonicContact NE-OE2 3.74Å; R74-E108 PolarHBondContact NE-OE2 3.18Å; Y81-E108 HydrophobicContact CE2-CB 4.31Å; Y81-E108 HydrophobicContact CE2-CG 3.91Å; Y81-E108 VanDerWaalsContact CE2-OE1 3.3Å; Y81-E108 WeakPolarHBondContact CE2-OE1 3.25Å; Y81-E108 PolarHBondContact OH-OE1 2.97Å; R104-E108 WeakPolarHBondContact O-CB 3.49Å; R104-E108 PolarHBondContact O-N 3.42Å; W105-E108 PolarHBondContact O-N 3.46Å; E108-D111 PolarHBondContact O-N 3.4Å; E108-H112 PolarHBondContact O-ND1 3.39Å
109	L	95.1	Very high	94.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.4	-51.5	175.3	-178.9	66.6	0	0	0	111.3	V15 I17 Y81 A87 W105 L106 K107 D111 H112 A113 I117 I119	V15-L109 HydrophobicContact CG2-CD1 4.19Å; I17-L109 HydrophobicContact CD1-CB 3.85Å; I17-L109 HydrophobicContact CD1-CD1 4.34Å; I17-L109 HydrophobicContact CD1-CD2 3.81Å; I17-L109 HydrophobicContact CD1-CG 4.22Å; Y81-L109 HydrophobicContact CD1-CD1 3.91Å; Y81-L109 HydrophobicContact CD2-CD1 4.12Å; Y81-L109 HydrophobicContact CE1-CD1 4.35Å; Y81-L109 HydrophobicContact CG-CD1 3.8Å; A87-L109 HydrophobicContact CB-CD1 4.34Å; A87-L109 HydrophobicContact CB-CD2 3.45Å; A87-L109 VanDerWaalsContact CB-CD2 3.45Å; W105-L109 WeakPolarHBondContact O-CB 3.49Å; W105-L109 PolarHBondContact O-N 3.12Å; L106-L109 PolarHBondContact O-N 2.94Å; K107-L109 VanDerWaalsContact C-N 3.29Å; K107-L109 PolarHBondContact O-N 2.82Å; L109-D111 PolarHBondContact O-N 3.32Å; L109-H112 PolarHBondContact O-N 3.22Å; L109-H112 VanDerWaalsContact O-N 3.16Å; L109-A113 HydrophobicContact CD1-CB 3.94Å; L109-A113 HydrophobicContact CG-CB 4.25Å; L109-A113 WeakPolarHBondContact O-CB 3.35Å; L109-A113 PolarHBondContact O-N 3.01Å; L109-I117 HydrophobicContact CD1-CD1 3.93Å; L109-I117 HydrophobicContact CD2-CD1 4.22Å; L109-I117 HydrophobicContact CG-CD1 4.3Å; L109-I119 HydrophobicContact CD2-CD1 3.75Å; L109-I119 HydrophobicContact CD2-CG1 3.9Å; L109-I119 HydrophobicContact CD2-CG2 4.26Å
110	R	95.4	Very high	94.6	Very high	115 Å²	115	61.6 Å²	61.6	43%	0.434	30%	0.295	S	S	.	.	H	α-helix	trans	-63.5	-28.9	-178.9	-76.3	177.9	168.1	161.4	-0.6	113.6	L106 K107 H112 N146	L106-R110 HydrophobicContact CD1-CG 4.4Å; L106-R110 WeakPolarHBondContact O-CB 3.1Å; L106-R110 WeakPolarHBondContact O-CG 3.36Å; L106-R110 PolarHBondContact O-N 3.34Å; K107-R110 PolarHBondContact O-N 3.46Å; R110-H112 VanDerWaalsContact C-N 3.29Å; R110-H112 PolarHBondContact O-N 3.47Å; R110-N146 PolarHBondContact NH2-O 2.73Å
111	D	93.4	Very high	94.6	Very high	95 Å²	95	56.5 Å²	56.5	51%	0.508	27%	0.271	S	S	.	.	H	α-helix	trans	-71.6	-20.8	178	-70	-17.7	0	0	0	112.9	K107 E108 L109	K107-D111 IonicContact NZ-OD1 2.68Å; K107-D111 PolarHBondContact NZ-OD1 3.33Å; K107-D111 IonicContact NZ-OD2 3.37Å; K107-D111 PolarHBondContact NZ-OD2 3.39Å; K107-D111 PolarHBondContact O-N 2.9Å; E108-D111 PolarHBondContact O-N 3.4Å; L109-D111 PolarHBondContact O-N 3.32Å
112	H	92.2	Very high	94.7	Very high	94 Å²	94	54.6 Å²	54.6	44%	0.435	26%	0.261	S	S	.	.	H	α-helix	trans	-129.8	-15.7	-173	-52	83.9	0	0	0	115.6	Y81 E108 L109 R110	Y81-H112 HydrophobicContact CD2-CB 4.03Å; E108-H112 PolarHBondContact O-ND1 3.39Å; L109-H112 PolarHBondContact O-N 3.22Å; L109-H112 VanDerWaalsContact O-N 3.16Å; R110-H112 VanDerWaalsContact C-N 3.29Å; R110-H112 PolarHBondContact O-N 3.47Å
113	A	93.3	Very high	94.7	Very high	16 Å²	16	54.6 Å²	54.6	13%	0.132	26%	0.26	C	S	.	.	S	Bend	trans	-85.8	167.2	175.1	0	0	0	0	0	111.6	L109 I117	L109-A113 HydrophobicContact CD1-CB 3.94Å; L109-A113 HydrophobicContact CG-CB 4.25Å; L109-A113 WeakPolarHBondContact O-CB 3.35Å; L109-A113 PolarHBondContact O-N 3.01Å; A113-I117 HydrophobicContact CB-CB 4.41Å; A113-I117 HydrophobicContact CB-CD1 3.8Å; A113-I117 HydrophobicContact CB-CG2 4.11Å
114	D	90.4	Very high	94.8	Very high	92 Å²	92	48 Å²	48	49%	0.492	23%	0.23	S	C	.	.			trans	-67.3	145.9	172.6	-64.9	-56.9	0	0	0	110.8	G83 N116 I117	G83-D114 WeakPolarHBondContact CA-OD2 3.34Å; G83-D114 PolarHBondContact N-OD2 3.46Å; D114-N116 PolarHBondContact O-N 3.29Å; D114-I117 WeakPolarHBondContact O-CB 3.41Å; D114-I117 VanDerWaalsContact O-CG2 3.24Å; D114-I117 WeakPolarHBondContact O-CG2 3.4Å; D114-I117 PolarHBondContact O-N 2.99Å; D114-I117 VanDerWaalsContact O-N 3.09Å
115	Q	88.1	Confident	94.9	Very high	196 Å²	196	46.6 Å²	46.6	92%	0.916	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.8	-175.5	-172	174.1	6.1	0	0	113.7
116	N	88	Confident	95.1	Very high	98 Å²	98	47.3 Å²	47.3	52%	0.524	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	10.8	-177.1	-60.8	-26.3	0	0	0	113.7	D114 V118 Q172 F175	D114-N116 PolarHBondContact O-N 3.29Å; N116-V118 PolarHBondContact O-N 3.36Å; N116-Q172 PolarHBondContact O-NE2 3.31Å; N116-F175 HydrophobicContact CB-CE1 3.93Å; N116-F175 HydrophobicContact CB-CZ 3.81Å
117	I	93.3	Very high	95.1	Very high	20 Å²	20	48.6 Å²	48.6	10%	0.103	24%	0.238	C	C	.	.			trans	-58.5	130.3	176.5	-170.6	170.3	0	0	0	110.4	A84 A87 L109 A113 D114 I119	A84-I117 HydrophobicContact CB-CD1 4Å; A87-I117 HydrophobicContact CB-CD1 3.95Å; L109-I117 HydrophobicContact CD1-CD1 3.93Å; L109-I117 HydrophobicContact CD2-CD1 4.22Å; L109-I117 HydrophobicContact CG-CD1 4.3Å; A113-I117 HydrophobicContact CB-CB 4.41Å; A113-I117 HydrophobicContact CB-CD1 3.8Å; A113-I117 HydrophobicContact CB-CG2 4.11Å; D114-I117 WeakPolarHBondContact O-CB 3.41Å; D114-I117 VanDerWaalsContact O-CG2 3.24Å; D114-I117 WeakPolarHBondContact O-CG2 3.4Å; D114-I117 PolarHBondContact O-N 2.99Å; D114-I117 VanDerWaalsContact O-N 3.09Å; I117-I119 HydrophobicContact CG1-CG1 4.35Å; I117-I119 HydrophobicContact CG2-CD1 3.91Å; I117-I119 HydrophobicContact CG2-CG1 3.89Å
118	V	94.2	Very high	95.2	Very high	42 Å²	42	45.1 Å²	45.1	26%	0.255	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	126.9	172.1	168.2	0	0	0	0	108.2	V85 G86 A87 N116 I168 Q172	V85-V118 PolarHBondContact O-N 3.44Å; G86-V118 CarbonylContact C-O 3.59Å; G86-V118 VanDerWaalsContact CA-O 3.29Å; G86-V118 WeakPolarHBondContact CA-O 3.46Å; A87-V118 PolarHBondContact N-O 2.87Å; N116-V118 PolarHBondContact O-N 3.36Å; V118-I168 HydrophobicContact CG1-CD1 3.75Å; V118-Q172 HydrophobicContact CB-CG 4.19Å; V118-Q172 HydrophobicContact CG2-CG 4.32Å
119	I	96.5	Very high	95.4	Very high	11 Å²	11	52.3 Å²	52.3	6%	0.056	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.2	-173.8	-50.9	169	0	0	0	108.6	A87 L89 L106 L109 I117 L148 S149	A87-I119 HydrophobicContact CB-CG1 4.48Å; A87-I119 HydrophobicContact CB-CG2 4.43Å; A87-I119 WeakPolarHBondContact O-CA 3.39Å; L89-I119 HydrophobicContact CB-CG2 4.34Å; L106-I119 HydrophobicContact CD1-CD1 3.84Å; L106-I119 HydrophobicContact CD1-CG2 4.37Å; L109-I119 HydrophobicContact CD2-CD1 3.75Å; L109-I119 HydrophobicContact CD2-CG1 3.9Å; L109-I119 HydrophobicContact CD2-CG2 4.26Å; I117-I119 HydrophobicContact CG1-CG1 4.35Å; I117-I119 HydrophobicContact CG2-CD1 3.91Å; I117-I119 HydrophobicContact CG2-CG1 3.89Å; I119-L148 HydrophobicContact CB-CD2 3.76Å; I119-L148 HydrophobicContact CD1-CD2 4.2Å; I119-L148 HydrophobicContact CG2-CD2 3.84Å; I119-L148 WeakPolarHBondContact O-CA 3.38Å; I119-S149 PolarHBondContact O-N 3.33Å; I119-S149 VanDerWaalsContact O-N 3.16Å; I119-S149 PolarHBondContact O-OG 3.37Å
120	M	98.3	Very high	95.5	Very high	4 Å²	4	59 Å²	59	2%	0.02	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.8	172.2	-179.8	177.9	-75.8	0	0	109.7	A87 L88 L89 V122 S149 I151 A164 N167 I168	A87-M120 PolarHBondContact O-N 2.98Å; L88-M120 HydrophobicContact CD2-CB 3.82Å; L88-M120 HydrophobicContact CD2-CG 4.29Å; L88-M120 HydrophobicContact CD2-SD 4.03Å; L89-M120 PolarHBondContact N-O 3.02Å; M120-V122 HydrophobicContact CB-CG2 4.48Å; M120-V122 HydrophobicContact CG-CG2 3.89Å; M120-V122 HydrophobicContact SD-CG2 4.12Å; M120-S149 CarbonylContact C-O 3.53Å; M120-S149 WeakPolarHBondContact CA-O 3.32Å; M120-S149 WeakPolarHBondContact CA-OG 3.42Å; M120-S149 VanDerWaalsContact CB-OG 3.23Å; M120-S149 WeakPolarHBondContact CB-OG 3.49Å; M120-S149 WeakPolarHBondContact CE-OG 3.41Å; M120-S149 WeakPolarHBondContact CG-OG 3.38Å; M120-I151 HydrophobicContact CG-CG2 4.17Å; M120-I151 HydrophobicContact SD-CB 4.19Å; M120-I151 HydrophobicContact SD-CG2 3.36Å; M120-I151 WeakPolarHBondContact SD-CG2 3.45Å; M120-A164 HydrophobicContact SD-CB 4.01Å; M120-N167 HydrophobicContact CE-CB 3.66Å; M120-I168 HydrophobicContact CB-CD1 3.58Å; M120-I168 HydrophobicContact CB-CG1 4.11Å
121	L	98.8	Very high	95.6	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	126.4	165.6	-178.3	66.6	0	0	0	109.1	L89 Y91 V102 A139 Y142 A143 L148 S149 F150 I151	L89-L121 HydrophobicContact CD2-CD1 4.41Å; L89-L121 HydrophobicContact CG-CD1 4.11Å; L89-L121 WeakPolarHBondContact O-CA 3.47Å; Y91-L121 HydrophobicContact CD1-CD1 3.75Å; Y91-L121 HydrophobicContact CD1-CG 4.2Å; Y91-L121 HydrophobicContact CE1-CD1 3.97Å; Y91-L121 HydrophobicContact CE1-CD2 4.18Å; Y91-L121 HydrophobicContact CE1-CG 3.9Å; V102-L121 HydrophobicContact CG1-CD1 3.62Å; V102-L121 HydrophobicContact CG2-CD1 4.06Å; L121-A139 HydrophobicContact CD2-CB 4.3Å; L121-A139 WeakPolarHBondContact CD2-O 3.42Å; L121-Y142 HydrophobicContact CD2-CD1 3.88Å; L121-A143 HydrophobicContact CB-CB 4.25Å; L121-A143 HydrophobicContact CD2-CB 4.17Å; L121-L148 HydrophobicContact CB-CD1 4.29Å; L121-S149 PolarHBondContact N-O 3.33Å; L121-F150 HydrophobicContact CB-CD2 4.19Å; L121-F150 HydrophobicContact CD2-CD2 3.98Å; L121-F150 HydrophobicContact CD2-CE2 4.36Å; L121-F150 HydrophobicContact CG-CD2 4.08Å; L121-F150 WeakPolarHBondContact O-CA 3.3Å; L121-I151 PolarHBondContact O-N 2.62Å; L121-I151 VanDerWaalsContact O-N 3.12Å
122	V	98.9	Very high	95.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	109.8	-176.1	-176.9	0	0	0	0	110.3	L27 L88 L89 V90 Y91 M120 N124 I151 T153	L27-V122 HydrophobicContact CD1-CG1 4.33Å; L88-V122 HydrophobicContact CB-CG2 4.07Å; L88-V122 HydrophobicContact CD1-CG2 4.47Å; L88-V122 HydrophobicContact CD2-CG2 3.88Å; L88-V122 HydrophobicContact CG-CG2 4.37Å; L89-V122 PolarHBondContact O-N 3.31Å; V90-V122 WeakPolarHBondContact CA-O 3.38Å; V90-V122 HydrophobicContact CG1-CB 4.48Å; V90-V122 HydrophobicContact CG1-CG1 4.49Å; V90-V122 HydrophobicContact CG2-CB 4.26Å; Y91-V122 WeakPolarHBondContact CD1-O 3.4Å; Y91-V122 PolarHBondContact N-O 3.14Å; M120-V122 HydrophobicContact CB-CG2 4.48Å; M120-V122 HydrophobicContact CG-CG2 3.89Å; M120-V122 HydrophobicContact SD-CG2 4.12Å; V122-N124 PolarHBondContact O-N 3.09Å; V122-I151 WeakPolarHBondContact CA-O 3.43Å; V122-I151 HydrophobicContact CG1-CG2 4.44Å; V122-I151 HydrophobicContact CG2-CG2 4.18Å; V122-T153 HydrophobicContact CG1-CG2 3.67Å; V122-T153 VanDerWaalsContact CG1-OG1 3.26Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.29Å
123	G	98.9	Very high	96.2	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	95	169.5	0	0	0	0	0	110.5	I151 E152 T153	G123-I151 PolarHBondContact N-O 2.98Å; G123-E152 CarbonylContact O-C 3.56Å; G123-E152 WeakPolarHBondContact O-CA 3.36Å; G123-E152 WeakPolarHBondContact O-CB 3.23Å; G123-T153 PolarHBondContact O-N 2.94Å
124	N	98.9	Very high	96.4	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	163.1	-177.3	-168.9	39.6	0	0	0	112.6	V22 L27 V90 Y91 I93 V122 T153 A155	V22-N124 PolarHBondContact O-ND2 3.13Å; L27-N124 HydrophobicContact CD1-CB 4.27Å; V90-N124 HydrophobicContact CG1-CB 3.71Å; Y91-N124 WeakPolarHBondContact O-CB 3.3Å; Y91-N124 PolarHBondContact O-N 2.94Å; I93-N124 PolarHBondContact N-O 3.27Å; V122-N124 PolarHBondContact O-N 3.09Å; N124-T153 CarbonylContact C-O 3.56Å; N124-T153 VanDerWaalsContact CA-O 3.31Å; N124-T153 WeakPolarHBondContact CA-O 3.21Å; N124-T153 PolarHBondContact OD1-O 3.39Å; N124-T153 PolarHBondContact OD1-OG1 3.34Å; N124-A155 PolarHBondContact OD1-N 2.79Å
125	K	98.3	Very high	96.8	Very high	42 Å²	42	53 Å²	53	18%	0.183	26%	0.263	C	S	.	.			trans	70.6	39.6	-177.4	-46.2	-170.7	-166.1	169.6	0	113.6	G21 V22 D92 I93 D127 L128 T153	G21-K125 WeakPolarHBondContact O-CE 3.42Å; G21-K125 PolarHBondContact O-NZ 3.17Å; V22-K125 WeakPolarHBondContact O-CE 3.49Å; D92-K125 WeakPolarHBondContact OD2-CD 3.32Å; D92-K125 VanDerWaalsContact OD2-CE 3.3Å; D92-K125 WeakPolarHBondContact OD2-CE 3.08Å; D92-K125 IonicContact OD2-NZ 2.7Å; D92-K125 PolarHBondContact OD2-NZ 2.71Å; I93-K125 WeakPolarHBondContact CD1-O 3.2Å; I93-K125 WeakPolarHBondContact CG1-O 3.39Å; K125-D127 VanDerWaalsContact C-OD1 3.24Å; K125-D127 WeakPolarHBondContact CA-OD1 3.22Å; K125-D127 PolarHBondContact O-N 3.36Å; K125-D127 VanDerWaalsContact O-N 3.14Å; K125-L128 HydrophobicContact CB-CD1 4.07Å; K125-L128 HydrophobicContact CB-CG 4.23Å; K125-L128 HydrophobicContact CD-CD1 4.01Å; K125-L128 WeakPolarHBondContact O-CA 2.94Å; K125-L128 WeakPolarHBondContact O-CB 3.49Å; K125-L128 PolarHBondContact O-N 3.29Å; K125-T153 PolarHBondContact N-O 3.39Å
126	S	98.6	Very high	97.3	Very high	16 Å²	16	45.3 Å²	45.3	11%	0.112	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-60.4	-18	175.4	62.3	0	0	0	0	114	L128 R129 T153 S154	S126-L128 PolarHBondContact O-N 2.94Å; S126-R129 WeakPolarHBondContact O-CB 3.27Å; S126-R129 PolarHBondContact O-N 2.83Å; S126-R129 VanDerWaalsContact O-N 3.09Å; S126-T153 PolarHBondContact N-O 2.78Å; S126-T153 VanDerWaalsContact OG-C 3.28Å; S126-T153 PolarHBondContact OG-O 3.4Å; S126-S154 VanDerWaalsContact OG-CB 3.28Å; S126-S154 WeakPolarHBondContact OG-CB 3.47Å; S126-S154 PolarHBondContact OG-N 3.14Å
127	D	98.3	Very high	97.8	Very high	32 Å²	32	45.7 Å²	45.7	17%	0.171	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-58.1	-29.6	166.6	59.7	-72	0	0	0	112.3	K125 R129 S154 L156	K125-D127 VanDerWaalsContact C-OD1 3.24Å; K125-D127 WeakPolarHBondContact CA-OD1 3.22Å; K125-D127 PolarHBondContact O-N 3.36Å; K125-D127 VanDerWaalsContact O-N 3.14Å; D127-R129 VanDerWaalsContact C-N 3.28Å; D127-R129 PolarHBondContact O-N 3.02Å; D127-S154 WeakPolarHBondContact OD1-CB 3.4Å; D127-S154 PolarHBondContact OD1-OG 2.9Å; D127-L156 HydrophobicContact CB-CD2 4.13Å; D127-L156 WeakPolarHBondContact OD2-CD2 3.03Å
128	L	97.4	Very high	98	Very high	48 Å²	48	48.3 Å²	48.3	25%	0.251	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-87.5	22.6	175	-56	-177.8	0	0	0	113.6	A94 K125 S126 H130 L131 R132	A94-L128 HydrophobicContact CB-CB 4.21Å; A94-L128 HydrophobicContact CB-CD1 4.26Å; K125-L128 HydrophobicContact CB-CD1 4.07Å; K125-L128 HydrophobicContact CB-CG 4.23Å; K125-L128 HydrophobicContact CD-CD1 4.01Å; K125-L128 WeakPolarHBondContact O-CA 2.94Å; K125-L128 WeakPolarHBondContact O-CB 3.49Å; K125-L128 PolarHBondContact O-N 3.29Å; S126-L128 PolarHBondContact O-N 2.94Å; L128-H130 PolarHBondContact O-N 3.31Å; L128-L131 WeakPolarHBondContact O-CA 3.46Å; L128-L131 PolarHBondContact O-N 2.74Å; L128-R132 PolarHBondContact O-N 3.42Å
129	R	96.9	Very high	98.2	Very high	175 Å²	175	46.3 Å²	46.3	66%	0.66	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-49.2	-27.7	178.6	62	-178	-178.4	-83.9	0.4	115.2	S126 D127 L131 R132	S126-R129 WeakPolarHBondContact O-CB 3.27Å; S126-R129 PolarHBondContact O-N 2.83Å; S126-R129 VanDerWaalsContact O-N 3.09Å; D127-R129 VanDerWaalsContact C-N 3.28Å; D127-R129 PolarHBondContact O-N 3.02Å; R129-L131 VanDerWaalsContact C-N 3.25Å; R129-L131 PolarHBondContact O-N 3.43Å; R129-R132 VanDerWaalsContact O-CB 3.27Å; R129-R132 WeakPolarHBondContact O-CB 3.41Å; R129-R132 PolarHBondContact O-N 2.97Å
130	H	97.6	Very high	98.3	Very high	141 Å²	141	49.8 Å²	49.8	65%	0.653	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-72.1	-16.8	177	64.9	-78.2	0	0	0	113.7	L128	L128-H130 PolarHBondContact O-N 3.31Å
131	L	98.1	Very high	98.3	Very high	101 Å²	101	55.2 Å²	55.2	53%	0.529	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-108.9	14.7	173.9	-57.5	176.5	0	0	0	111.9	A94 L128 R129 A133	A94-L131 WeakPolarHBondContact CA-O 3.48Å; A94-L131 HydrophobicContact CB-CB 4.04Å; L128-L131 WeakPolarHBondContact O-CA 3.46Å; L128-L131 PolarHBondContact O-N 2.74Å; R129-L131 VanDerWaalsContact C-N 3.25Å; R129-L131 PolarHBondContact O-N 3.43Å; L131-A133 PolarHBondContact O-N 3.18Å; L131-A133 VanDerWaalsContact O-N 3.14Å
132	R	98.6	Very high	98.3	Very high	74 Å²	74	56.2 Å²	56.2	28%	0.279	28%	0.275	S	S	.	.			trans	-54.3	122.2	-175.6	177.4	177.4	-68.5	-85.3	6	110.5	L128 R129 V134 T136 E152	L128-R132 PolarHBondContact O-N 3.42Å; R129-R132 VanDerWaalsContact O-CB 3.27Å; R129-R132 WeakPolarHBondContact O-CB 3.41Å; R129-R132 PolarHBondContact O-N 2.97Å; R132-V134 VanDerWaalsContact CD-O 3.22Å; R132-V134 WeakPolarHBondContact CD-O 3.42Å; R132-V134 WeakPolarHBondContact CG-O 3.34Å; R132-V134 PolarHBondContact NH1-O 3.14Å; R132-T136 VanDerWaalsContact CZ-OG1 3.22Å; R132-T136 PolarHBondContact NH1-OG1 3.13Å; R132-T136 VanDerWaalsContact NH1-OG1 3.1Å; R132-T136 PolarHBondContact NH2-OG1 3.31Å; R132-E152 IonicContact CZ-OE1 3.28Å; R132-E152 VanDerWaalsContact CZ-OE1 3.28Å; R132-E152 IonicContact CZ-OE2 3.69Å; R132-E152 IonicContact NH1-OE1 3.81Å; R132-E152 PolarHBondContact NH1-OE1 2.81Å; R132-E152 IonicContact NH1-OE2 3.45Å; R132-E152 IonicContact NH2-OE1 3.05Å; R132-E152 PolarHBondContact NH2-OE1 3.28Å; R132-E152 IonicContact NH2-OE2 2.69Å; R132-E152 PolarHBondContact NH2-OE2 2.95Å
133	A	98.4	Very high	98.3	Very high	44 Å²	44	56.3 Å²	56.3	36%	0.364	28%	0.275	S	S	.	.			trans	-105.3	-18.5	174.2	0	0	0	0	0	112.1	I93 H96 L131	I93-A133 PolarHBondContact O-N 2.99Å; H96-A133 HydrophobicContact CB-CB 4.21Å; H96-A133 PolarHBondContact CD2-O 3.01Å; L131-A133 PolarHBondContact O-N 3.18Å; L131-A133 VanDerWaalsContact O-N 3.14Å
134	V	98.4	Very high	98.2	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.308	C	S	.	.	S	Bend	trans	-113.6	112.5	179.2	-174.7	0	0	0	0	109.5	Y91 I93 Y99 R132 T136 A139	Y91-V134 HydrophobicContact CD2-CG2 4.28Å; Y91-V134 HydrophobicContact CE2-CB 3.9Å; Y91-V134 HydrophobicContact CE2-CG1 3.78Å; Y91-V134 HydrophobicContact CE2-CG2 4.02Å; I93-V134 PolarHBondContact O-N 2.91Å; I93-V134 VanDerWaalsContact O-N 3.13Å; Y99-V134 HydrophobicContact CD1-CG1 3.92Å; Y99-V134 HydrophobicContact CD1-CG2 4.37Å; Y99-V134 HydrophobicContact CD2-CG1 3.99Å; Y99-V134 HydrophobicContact CE1-CG1 4.29Å; Y99-V134 HydrophobicContact CE2-CG1 4.36Å; Y99-V134 HydrophobicContact CG-CG1 3.75Å; Y99-V134 HydrophobicContact CG-CG2 4.08Å; R132-V134 VanDerWaalsContact CD-O 3.22Å; R132-V134 WeakPolarHBondContact CD-O 3.42Å; R132-V134 WeakPolarHBondContact CG-O 3.34Å; R132-V134 PolarHBondContact NH1-O 3.14Å; V134-T136 PolarHBondContact O-N 2.75Å; V134-A139 HydrophobicContact CG1-CB 4.33Å
135	P	98.1	Very high	98.2	Very high	66 Å²	66	71.5 Å²	71.5	43%	0.429	34%	0.339	S	S	.	.			trans	-57.1	135.8	172.9	-23.2	33.8	0	0	0	111.6	D137 E138 A139	P135-D137 VanDerWaalsContact C-N 3.29Å; P135-D137 PolarHBondContact O-N 2.94Å; P135-E138 HydrophobicContact CB-CB 4.08Å; P135-E138 WeakPolarHBondContact CD-OE2 3.3Å; P135-E138 HydrophobicContact CG-CB 4.49Å; P135-E138 PolarHBondContact O-N 2.97Å; P135-A139 PolarHBondContact O-N 2.83Å
136	T	98.3	Very high	98.1	Very high	35 Å²	35	71.3 Å²	71.3	22%	0.215	34%	0.34	C	S	.	.	H	α-helix	trans	-61.5	-39.1	-179.3	-59.2	0	0	0	0	111.9	R132 V134 A139 K140 F150 E152	R132-T136 VanDerWaalsContact CZ-OG1 3.22Å; R132-T136 PolarHBondContact NH1-OG1 3.13Å; R132-T136 VanDerWaalsContact NH1-OG1 3.1Å; R132-T136 PolarHBondContact NH2-OG1 3.31Å; V134-T136 PolarHBondContact O-N 2.75Å; T136-A139 PolarHBondContact O-N 2.62Å; T136-K140 HydrophobicContact CG2-CD 4.22Å; T136-K140 WeakPolarHBondContact O-CG 3.41Å; T136-K140 PolarHBondContact O-N 2.95Å; T136-F150 HydrophobicContact CG2-CE1 3.9Å; T136-F150 HydrophobicContact CG2-CZ 4.13Å; T136-E152 WeakPolarHBondContact CB-OE1 3.37Å; T136-E152 WeakPolarHBondContact CG2-OE1 3.42Å; T136-E152 PolarHBondContact OG1-OE1 2.56Å
137	D	98.2	Very high	98	Very high	106 Å²	106	76.1 Å²	76.1	57%	0.567	37%	0.372	S	S	*	.	H	α-helix	trans	-68.5	-35.9	-178.3	-63.2	-25.2	0	0	0	111.8	P135 A139 K140 E141	P135-D137 VanDerWaalsContact C-N 3.29Å; P135-D137 PolarHBondContact O-N 2.94Å; D137-A139 PolarHBondContact O-N 3.49Å; D137-K140 PolarHBondContact O-N 2.88Å; D137-E141 WeakPolarHBondContact O-CB 3.26Å; D137-E141 WeakPolarHBondContact O-CG 3.28Å; D137-E141 PolarHBondContact O-N 2.99Å
138	E	98.1	Very high	97.9	Very high	75 Å²	75	75.3 Å²	75.3	35%	0.35	37%	0.368	S	S	.	.	H	α-helix	trans	-61.3	-44.9	174.5	-172.7	-175.2	154.9	0	0	111.7	Y99 P135 E141 Y142	Y99-E138 HydrophobicContact CE1-CG 4.34Å; Y99-E138 VanDerWaalsContact CE1-OE1 3.25Å; Y99-E138 WeakPolarHBondContact CE1-OE1 3.5Å; Y99-E138 PolarHBondContact OH-O 2.98Å; P135-E138 HydrophobicContact CB-CB 4.08Å; P135-E138 WeakPolarHBondContact CD-OE2 3.3Å; P135-E138 HydrophobicContact CG-CB 4.49Å; P135-E138 PolarHBondContact O-N 2.97Å; E138-E141 PolarHBondContact O-N 3.28Å; E138-Y142 WeakPolarHBondContact O-CB 3.17Å; E138-Y142 PolarHBondContact O-N 3.3Å
139	A	98.5	Very high	97.9	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-68.3	-36	177.8	0	0	0	0	0	112.6	Y91 Y99 L121 V134 P135 T136 D137 Y142 A143 F150	Y91-A139 HydrophobicContact CE1-CB 4.33Å; Y91-A139 WeakPolarHBondContact OH-CB 3.31Å; Y99-A139 HydrophobicContact CE2-CB 4.02Å; L121-A139 HydrophobicContact CD2-CB 4.3Å; L121-A139 WeakPolarHBondContact CD2-O 3.42Å; V134-A139 HydrophobicContact CG1-CB 4.33Å; P135-A139 PolarHBondContact O-N 2.83Å; T136-A139 PolarHBondContact O-N 2.62Å; D137-A139 PolarHBondContact O-N 3.49Å; A139-Y142 PolarHBondContact O-N 3.48Å; A139-A143 WeakPolarHBondContact O-CB 3.49Å; A139-A143 PolarHBondContact O-N 3.09Å; A139-F150 HydrophobicContact CB-CD2 4.36Å; A139-F150 HydrophobicContact CB-CE2 3.6Å; A139-F150 HydrophobicContact CB-CZ 4.01Å
140	K	98.3	Very high	98	Very high	84 Å²	84	69.2 Å²	69.2	37%	0.365	35%	0.35	S	S	.	.	H	α-helix	trans	-62.6	-50.3	172.5	-77.3	174	179.3	171	0	111.6	T136 D137 Y142 A143 E144 F150	T136-K140 HydrophobicContact CG2-CD 4.22Å; T136-K140 WeakPolarHBondContact O-CG 3.41Å; T136-K140 PolarHBondContact O-N 2.95Å; D137-K140 PolarHBondContact O-N 2.88Å; K140-Y142 VanDerWaalsContact C-N 3.26Å; K140-Y142 PolarHBondContact O-N 3.36Å; K140-A143 WeakPolarHBondContact O-CB 3.22Å; K140-A143 PolarHBondContact O-N 2.69Å; K140-E144 WeakPolarHBondContact O-CG 3.11Å; K140-E144 PolarHBondContact O-N 2.77Å; K140-F150 HydrophobicContact CB-CD1 4.41Å; K140-F150 HydrophobicContact CD-CD1 4.24Å; K140-F150 HydrophobicContact CD-CE1 4.22Å; K140-F150 HydrophobicContact CG-CD1 3.26Å; K140-F150 HydrophobicContact CG-CE1 3.43Å; K140-F150 VanDerWaalsContact CG-CE1 3.43Å; K140-F150 HydrophobicContact CG-CG 3.96Å; K140-F150 HydrophobicContact CG-CZ 4.25Å
141	E	98.4	Very high	98	Very high	117 Å²	117	63.1 Å²	63.1	55%	0.547	32%	0.323	S	S	.	.	H	α-helix	trans	-60.1	-38	177.6	-74.7	177.6	-168.6	0	0	111.6	D137 E138 R145	D137-E141 WeakPolarHBondContact O-CB 3.26Å; D137-E141 WeakPolarHBondContact O-CG 3.28Å; D137-E141 PolarHBondContact O-N 2.99Å; E138-E141 PolarHBondContact O-N 3.28Å; E141-R145 WeakPolarHBondContact O-CB 3.47Å; E141-R145 VanDerWaalsContact O-CG 3.23Å; E141-R145 WeakPolarHBondContact O-CG 3.29Å; E141-R145 PolarHBondContact O-N 3.49Å; E141-R145 PolarHBondContact O-NE 2.94Å
142	Y	98.7	Very high	98.1	Very high	22 Å²	22	59.9 Å²	59.9	9%	0.086	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-45.8	172.5	176.9	-82.8	0	0	0	112.2	Y99 V102 E103 L106 L121 E138 A139 K140 R145 N146 L148	Y99-Y142 HydrophobicContact CE2-CG 4.47Å; Y99-Y142 VanDerWaalsContact OH-CB 3.27Å; Y99-Y142 WeakPolarHBondContact OH-CB 3.46Å; V102-Y142 HydrophobicContact CG1-CD1 4.42Å; V102-Y142 HydrophobicContact CG1-CE1 3.56Å; E103-Y142 WeakPolarHBondContact CA-OH 3.22Å; L106-Y142 HydrophobicContact CD2-CE1 4.41Å; L106-Y142 WeakPolarHBondContact CD2-OH 3.48Å; L121-Y142 HydrophobicContact CD2-CD1 3.88Å; E138-Y142 WeakPolarHBondContact O-CB 3.17Å; E138-Y142 PolarHBondContact O-N 3.3Å; A139-Y142 PolarHBondContact O-N 3.48Å; K140-Y142 VanDerWaalsContact C-N 3.26Å; K140-Y142 PolarHBondContact O-N 3.36Å; Y142-R145 PolarHBondContact O-N 3.5Å; Y142-N146 WeakPolarHBondContact CE2-ND2 3.39Å; Y142-N146 WeakPolarHBondContact O-CB 3.25Å; Y142-N146 PolarHBondContact O-N 2.71Å; Y142-N146 VanDerWaalsContact O-N 3.11Å; Y142-N146 PolarHBondContact O-ND2 3.39Å; Y142-L148 HydrophobicContact CE1-CD1 4.11Å
143	A	98.6	Very high	98.1	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-47.4	178.9	0	0	0	0	0	111.3	L121 A139 K140 N146 C147 L148 F150	L121-A143 HydrophobicContact CB-CB 4.25Å; L121-A143 HydrophobicContact CD2-CB 4.17Å; A139-A143 WeakPolarHBondContact O-CB 3.49Å; A139-A143 PolarHBondContact O-N 3.09Å; K140-A143 WeakPolarHBondContact O-CB 3.22Å; K140-A143 PolarHBondContact O-N 2.69Å; A143-N146 CarbonylContact O-C 3.55Å; A143-N146 PolarHBondContact O-N 3.1Å; A143-N146 VanDerWaalsContact O-N 3.14Å; A143-C147 PolarHBondContact O-N 2.81Å; A143-L148 CarbonylContact C-O 3.53Å; A143-L148 HydrophobicContact CB-CB 4.08Å; A143-L148 PolarHBondContact O-N 3.46Å; A143-F150 HydrophobicContact CB-CB 3.76Å
144	E	97.8	Very high	98.1	Very high	145 Å²	145	54.2 Å²	54.2	68%	0.678	27%	0.274	S	S	*	.	H	α-helix	trans	-59.2	-49.7	177.5	-71.8	176.5	-172.8	0	0	112	K140 N146 C147	K140-E144 WeakPolarHBondContact O-CG 3.11Å; K140-E144 PolarHBondContact O-N 2.77Å; E144-N146 PolarHBondContact O-N 2.69Å; E144-N146 VanDerWaalsContact O-N 3.16Å; E144-C147 PolarHBondContact O-N 3.18Å
145	R	98	Very high	98.1	Very high	178 Å²	178	54.3 Å²	54.3	67%	0.672	28%	0.275	S	S	*	.	H	α-helix	trans	-58.6	-29	177	-76.1	-176.1	-61.7	145.8	-3.7	113.2	E141 Y142	E141-R145 WeakPolarHBondContact O-CB 3.47Å; E141-R145 VanDerWaalsContact O-CG 3.23Å; E141-R145 WeakPolarHBondContact O-CG 3.29Å; E141-R145 PolarHBondContact O-N 3.49Å; E141-R145 PolarHBondContact O-NE 2.94Å; Y142-R145 PolarHBondContact O-N 3.5Å
146	N	97.6	Very high	98.1	Very high	37 Å²	37	55 Å²	55	20%	0.198	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	9.2	-179.5	-75.8	-79.6	0	0	0	113.5	L106 R110 Y142 A143 E144 L148	L106-N146 HydrophobicContact CD2-CB 3.94Å; R110-N146 PolarHBondContact NH2-O 2.73Å; Y142-N146 WeakPolarHBondContact CE2-ND2 3.39Å; Y142-N146 WeakPolarHBondContact O-CB 3.25Å; Y142-N146 PolarHBondContact O-N 2.71Å; Y142-N146 VanDerWaalsContact O-N 3.11Å; Y142-N146 PolarHBondContact O-ND2 3.39Å; A143-N146 CarbonylContact O-C 3.55Å; A143-N146 PolarHBondContact O-N 3.1Å; A143-N146 VanDerWaalsContact O-N 3.14Å; E144-N146 PolarHBondContact O-N 2.69Å; E144-N146 VanDerWaalsContact O-N 3.16Å; N146-L148 VanDerWaalsContact C-N 3.3Å; N146-L148 HydrophobicContact CB-CD1 3.96Å; N146-L148 HydrophobicContact CB-CD2 4.3Å; N146-L148 HydrophobicContact CB-CG 3.78Å; N146-L148 WeakPolarHBondContact O-CD2 3.37Å; N146-L148 PolarHBondContact O-N 3.05Å
147	C	95.8	Very high	98	Very high	118 Å²	118	57.3 Å²	57.3	80%	0.797	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	43.2	-177.7	-50.7	0	0	0	0	113.1	A143 E144	A143-C147 PolarHBondContact O-N 2.81Å; E144-C147 PolarHBondContact O-N 3.18Å
148	L	96.9	Very high	98	Very high	14 Å²	14	54.5 Å²	54.5	7%	0.073	27%	0.274	C	S	.	.			trans	-109.8	148.6	175.5	-40.2	177.6	0	0	0	108.9	L106 I119 L121 Y142 A143 N146	L106-L148 HydrophobicContact CD1-CD1 4.35Å; L106-L148 HydrophobicContact CD1-CD2 3.91Å; L106-L148 HydrophobicContact CD2-CD1 4.09Å; L106-L148 HydrophobicContact CD2-CD2 4.49Å; I119-L148 HydrophobicContact CB-CD2 3.76Å; I119-L148 HydrophobicContact CD1-CD2 4.2Å; I119-L148 HydrophobicContact CG2-CD2 3.84Å; I119-L148 WeakPolarHBondContact O-CA 3.38Å; L121-L148 HydrophobicContact CB-CD1 4.29Å; Y142-L148 HydrophobicContact CE1-CD1 4.11Å; A143-L148 CarbonylContact C-O 3.53Å; A143-L148 HydrophobicContact CB-CB 4.08Å; A143-L148 PolarHBondContact O-N 3.46Å; N146-L148 VanDerWaalsContact C-N 3.3Å; N146-L148 HydrophobicContact CB-CD1 3.96Å; N146-L148 HydrophobicContact CB-CD2 4.3Å; N146-L148 HydrophobicContact CB-CG 3.78Å; N146-L148 WeakPolarHBondContact O-CD2 3.37Å; N146-L148 PolarHBondContact O-N 3.05Å
149	S	97	Very high	98	Very high	49 Å²	49	53.4 Å²	53.4	34%	0.343	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	159.8	161.1	56.8	0	0	0	0	110	I119 M120 L121	I119-S149 PolarHBondContact O-N 3.33Å; I119-S149 VanDerWaalsContact O-N 3.16Å; I119-S149 PolarHBondContact O-OG 3.37Å; M120-S149 CarbonylContact C-O 3.53Å; M120-S149 WeakPolarHBondContact CA-O 3.32Å; M120-S149 WeakPolarHBondContact CA-OG 3.42Å; M120-S149 VanDerWaalsContact CB-OG 3.23Å; M120-S149 WeakPolarHBondContact CB-OG 3.49Å; M120-S149 WeakPolarHBondContact CE-OG 3.41Å; M120-S149 WeakPolarHBondContact CG-OG 3.38Å; L121-S149 PolarHBondContact N-O 3.33Å
150	F	98.4	Very high	98	Very high	46 Å²	46	56.4 Å²	56.4	20%	0.202	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	139.1	-179.1	174	-99	0	0	0	111.5	Y91 L121 T136 A139 K140 A143 E152	Y91-F150 HydrophobicContact CE1-CE2 4.38Å; L121-F150 HydrophobicContact CB-CD2 4.19Å; L121-F150 HydrophobicContact CD2-CD2 3.98Å; L121-F150 HydrophobicContact CD2-CE2 4.36Å; L121-F150 HydrophobicContact CG-CD2 4.08Å; L121-F150 WeakPolarHBondContact O-CA 3.3Å; T136-F150 HydrophobicContact CG2-CE1 3.9Å; T136-F150 HydrophobicContact CG2-CZ 4.13Å; A139-F150 HydrophobicContact CB-CD2 4.36Å; A139-F150 HydrophobicContact CB-CE2 3.6Å; A139-F150 HydrophobicContact CB-CZ 4.01Å; K140-F150 HydrophobicContact CB-CD1 4.41Å; K140-F150 HydrophobicContact CD-CD1 4.24Å; K140-F150 HydrophobicContact CD-CE1 4.22Å; K140-F150 HydrophobicContact CG-CD1 3.26Å; K140-F150 HydrophobicContact CG-CE1 3.43Å; K140-F150 VanDerWaalsContact CG-CE1 3.43Å; K140-F150 HydrophobicContact CG-CG 3.96Å; K140-F150 HydrophobicContact CG-CZ 4.25Å; A143-F150 HydrophobicContact CB-CB 3.76Å; F150-E152 HydrophobicContact CE1-CG 3.96Å; F150-E152 HydrophobicContact CE2-CG 4.41Å; F150-E152 HydrophobicContact CZ-CG 3.52Å
151	I	98.6	Very high	98	Very high	14 Å²	14	52.6 Å²	52.6	7%	0.072	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	152.4	169.6	-160.9	164.5	0	0	0	110.1	M120 L121 V122 G123 T153 N160 E163 A164	M120-I151 HydrophobicContact CG-CG2 4.17Å; M120-I151 HydrophobicContact SD-CB 4.19Å; M120-I151 HydrophobicContact SD-CG2 3.36Å; M120-I151 WeakPolarHBondContact SD-CG2 3.45Å; L121-I151 PolarHBondContact O-N 2.62Å; L121-I151 VanDerWaalsContact O-N 3.12Å; V122-I151 WeakPolarHBondContact CA-O 3.43Å; V122-I151 HydrophobicContact CG1-CG2 4.44Å; V122-I151 HydrophobicContact CG2-CG2 4.18Å; G123-I151 PolarHBondContact N-O 2.98Å; I151-T153 HydrophobicContact CG2-CG2 4.09Å; I151-N160 HydrophobicContact CD1-CB 3.71Å; I151-N160 HydrophobicContact CG1-CB 3.97Å; I151-E163 HydrophobicContact CD1-CB 4.11Å; I151-E163 HydrophobicContact CD1-CG 3.77Å; I151-A164 HydrophobicContact CG2-CB 3.84Å
152	E	98.8	Very high	97.9	Very high	32 Å²	32	51 Å²	51	15%	0.15	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.4	166.8	-65.4	-170.8	162	0	0	110.2	G123 R132 T136 F150 N160	G123-E152 CarbonylContact O-C 3.56Å; G123-E152 WeakPolarHBondContact O-CA 3.36Å; G123-E152 WeakPolarHBondContact O-CB 3.23Å; R132-E152 IonicContact CZ-OE1 3.28Å; R132-E152 VanDerWaalsContact CZ-OE1 3.28Å; R132-E152 IonicContact CZ-OE2 3.69Å; R132-E152 IonicContact NH1-OE1 3.81Å; R132-E152 PolarHBondContact NH1-OE1 2.81Å; R132-E152 IonicContact NH1-OE2 3.45Å; R132-E152 IonicContact NH2-OE1 3.05Å; R132-E152 PolarHBondContact NH2-OE1 3.28Å; R132-E152 IonicContact NH2-OE2 2.69Å; R132-E152 PolarHBondContact NH2-OE2 2.95Å; T136-E152 WeakPolarHBondContact CB-OE1 3.37Å; T136-E152 WeakPolarHBondContact CG2-OE1 3.42Å; T136-E152 PolarHBondContact OG1-OE1 2.56Å; F150-E152 HydrophobicContact CE1-CG 3.96Å; F150-E152 HydrophobicContact CE2-CG 4.41Å; F150-E152 HydrophobicContact CZ-CG 3.52Å; E152-N160 VanDerWaalsContact O-CB 3.29Å; E152-N160 WeakPolarHBondContact O-CB 3.41Å; E152-N160 PolarHBondContact O-ND2 3.24Å
153	T	98.8	Very high	97.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	159.7	-177.2	60.9	0	0	0	0	111.5	V122 G123 N124 K125 S126 I151 T159 N160 A164	V122-T153 HydrophobicContact CG1-CG2 3.67Å; V122-T153 VanDerWaalsContact CG1-OG1 3.26Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.29Å; G123-T153 PolarHBondContact O-N 2.94Å; N124-T153 CarbonylContact C-O 3.56Å; N124-T153 VanDerWaalsContact CA-O 3.31Å; N124-T153 WeakPolarHBondContact CA-O 3.21Å; N124-T153 PolarHBondContact OD1-O 3.39Å; N124-T153 PolarHBondContact OD1-OG1 3.34Å; K125-T153 PolarHBondContact N-O 3.39Å; S126-T153 PolarHBondContact N-O 2.78Å; S126-T153 VanDerWaalsContact OG-C 3.28Å; S126-T153 PolarHBondContact OG-O 3.4Å; I151-T153 HydrophobicContact CG2-CG2 4.09Å; T153-T159 CarbonylContact C-O 3.34Å; T153-T159 VanDerWaalsContact CA-O 3.28Å; T153-T159 WeakPolarHBondContact CA-O 3.11Å; T153-N160 HydrophobicContact CG2-CB 4.1Å; T153-A164 HydrophobicContact CG2-CB 3.94Å
154	S	98.6	Very high	97.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.281	C	S	.	.			trans	-133.3	117	160.5	145.2	0	0	0	0	109.1	S126 D127 L156 D157 S158 T159 V161	S126-S154 VanDerWaalsContact OG-CB 3.28Å; S126-S154 WeakPolarHBondContact OG-CB 3.47Å; S126-S154 PolarHBondContact OG-N 3.14Å; D127-S154 WeakPolarHBondContact OD1-CB 3.4Å; D127-S154 PolarHBondContact OD1-OG 2.9Å; S154-L156 PolarHBondContact O-N 2.82Å; S154-L156 PolarHBondContact OG-N 3.12Å; S154-D157 WeakPolarHBondContact CB-OD1 3.4Å; S154-D157 PolarHBondContact OG-N 2.86Å; S154-D157 PolarHBondContact OG-OD1 2.7Å; S154-S158 CarbonylContact O-C 3.6Å; S154-S158 WeakPolarHBondContact O-CA 3.33Å; S154-S158 PolarHBondContact O-N 2.88Å; S154-T159 PolarHBondContact N-O 3.48Å; S154-T159 PolarHBondContact O-N 3.41Å; S154-V161 WeakPolarHBondContact O-CG2 3.46Å
155	A	98.1	Very high	97.7	Very high	2 Å²	2	47.6 Å²	47.6	2%	0.017	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-22.3	172.5	0	0	0	0	0	112.4	N26 L27 R30 F36 N124	N26-A155 HydrophobicContact CB-CB 3.76Å; L27-A155 HydrophobicContact CD2-CB 3.98Å; L27-A155 HydrophobicContact CG-CB 4.26Å; R30-A155 PolarHBondContact NE-O 2.97Å; R30-A155 PolarHBondContact NH2-O 3.07Å; F36-A155 HydrophobicContact CD2-CB 3.97Å; F36-A155 WeakPolarHBondContact CD2-O 3.49Å; F36-A155 HydrophobicContact CE2-CB 4.2Å; N124-A155 PolarHBondContact OD1-N 2.79Å
156	L	97.7	Very high	97.5	Very high	80 Å²	80	40.7 Å²	40.7	42%	0.419	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-57.6	-178.9	175.8	62	0	0	0	110.7	R30 F36 D127 S154	R30-L156 PolarHBondContact NH2-O 2.7Å; F36-L156 HydrophobicContact CD1-CD1 3.73Å; F36-L156 HydrophobicContact CD2-CB 4.44Å; F36-L156 HydrophobicContact CE1-CD1 3.51Å; F36-L156 HydrophobicContact CE2-CB 4.08Å; F36-L156 HydrophobicContact CG-CD1 4.35Å; F36-L156 HydrophobicContact CZ-CB 4.12Å; F36-L156 HydrophobicContact CZ-CD1 3.94Å; D127-L156 HydrophobicContact CB-CD2 4.13Å; D127-L156 WeakPolarHBondContact OD2-CD2 3.03Å; S154-L156 PolarHBondContact O-N 2.82Å; S154-L156 PolarHBondContact OG-N 3.12Å
157	D	97	Very high	97.3	Very high	83 Å²	83	42.1 Å²	42.1	44%	0.444	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	2.9	-178.4	67.1	14	0	0	0	114.1	S154 T159	S154-D157 WeakPolarHBondContact CB-OD1 3.4Å; S154-D157 PolarHBondContact OG-N 2.86Å; S154-D157 PolarHBondContact OG-OD1 2.7Å; D157-T159 VanDerWaalsContact C-N 3.26Å; D157-T159 VanDerWaalsContact CG-OG1 3.27Å; D157-T159 PolarHBondContact O-N 2.85Å; D157-T159 VanDerWaalsContact OD1-CB 3.23Å; D157-T159 WeakPolarHBondContact OD1-CB 3.35Å; D157-T159 PolarHBondContact OD1-N 2.89Å; D157-T159 PolarHBondContact OD1-OG1 2.85Å; D157-T159 PolarHBondContact OD2-OG1 3.37Å
158	S	97.9	Very high	97.1	Very high	48 Å²	48	36.5 Å²	36.5	34%	0.336	20%	0.197	S	C	.	.			trans	71.9	8.2	179	-36.3	0	0	0	0	115.5	R30 S154 N160 V161	R30-S158 VanDerWaalsContact CD-OG 3.25Å; R30-S158 WeakPolarHBondContact CD-OG 3.33Å; R30-S158 PolarHBondContact NE-OG 2.93Å; S154-S158 CarbonylContact O-C 3.6Å; S154-S158 WeakPolarHBondContact O-CA 3.33Å; S154-S158 PolarHBondContact O-N 2.88Å; S158-N160 PolarHBondContact O-N 2.91Å; S158-V161 PolarHBondContact O-N 3.43Å
159	T	98.6	Very high	96.7	Very high	52 Å²	52	36 Å²	36	32%	0.319	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	123.1	178	-61.9	0	0	0	0	110.8	T153 S154 D157 V161	T153-T159 CarbonylContact C-O 3.34Å; T153-T159 VanDerWaalsContact CA-O 3.28Å; T153-T159 WeakPolarHBondContact CA-O 3.11Å; S154-T159 PolarHBondContact N-O 3.48Å; S154-T159 PolarHBondContact O-N 3.41Å; D157-T159 VanDerWaalsContact C-N 3.26Å; D157-T159 VanDerWaalsContact CG-OG1 3.27Å; D157-T159 PolarHBondContact O-N 2.85Å; D157-T159 VanDerWaalsContact OD1-CB 3.23Å; D157-T159 WeakPolarHBondContact OD1-CB 3.35Å; D157-T159 PolarHBondContact OD1-N 2.89Å; D157-T159 PolarHBondContact OD1-OG1 2.85Å; D157-T159 PolarHBondContact OD2-OG1 3.37Å; T159-V161 PolarHBondContact O-N 3.06Å
160	N	98.5	Very high	96.2	Very high	63 Å²	63	35.8 Å²	35.8	34%	0.337	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	11.4	175	-59.4	-14.5	0	0	0	116.2	I151 E152 T153 S158 E163 A164	I151-N160 HydrophobicContact CD1-CB 3.71Å; I151-N160 HydrophobicContact CG1-CB 3.97Å; E152-N160 VanDerWaalsContact O-CB 3.29Å; E152-N160 WeakPolarHBondContact O-CB 3.41Å; E152-N160 PolarHBondContact O-ND2 3.24Å; T153-N160 HydrophobicContact CG2-CB 4.1Å; S158-N160 PolarHBondContact O-N 2.91Å; N160-E163 PolarHBondContact O-N 3.1Å; N160-A164 WeakPolarHBondContact O-CB 3.45Å; N160-A164 PolarHBondContact O-N 3.14Å
161	V	98.3	Very high	95.2	Very high	4 Å²	4	35 Å²	35	2%	0.024	20%	0.195	C	C	.	.	H	α-helix	trans	-65.9	-51.6	-178.8	177.9	0	0	0	0	110.4	L27 R30 F31 S154 S158 T159 E163 A164 F165	L27-V161 HydrophobicContact CD2-CG1 4.36Å; L27-V161 HydrophobicContact CD2-CG2 3.8Å; R30-V161 HydrophobicContact CB-CG1 4.2Å; R30-V161 HydrophobicContact CG-CB 4.19Å; R30-V161 HydrophobicContact CG-CG1 3.93Å; R30-V161 HydrophobicContact CG-CG2 4.03Å; F31-V161 HydrophobicContact CB-CG1 3.99Å; S154-V161 WeakPolarHBondContact O-CG2 3.46Å; S158-V161 PolarHBondContact O-N 3.43Å; T159-V161 PolarHBondContact O-N 3.06Å; V161-E163 VanDerWaalsContact C-N 3.29Å; V161-E163 PolarHBondContact O-N 3.26Å; V161-A164 PolarHBondContact O-N 2.99Å; V161-F165 HydrophobicContact CG1-CD2 4.2Å; V161-F165 HydrophobicContact CG1-CE2 4.13Å; V161-F165 VanDerWaalsContact O-CD2 3.3Å; V161-F165 WeakPolarHBondContact O-CD2 3.28Å; V161-F165 PolarHBondContact O-N 2.96Å
162	E	96.6	Very high	94.2	Very high	83 Å²	83	34.9 Å²	34.9	39%	0.388	20%	0.195	S	C	.	.	H	α-helix	trans	-56.3	-47.1	177.5	-168.2	69.4	-169.2	0	0	111	F31 R51 A164 F165 T166	F31-E162 WeakPolarHBondContact CE2-OE2 3.32Å; R51-E162 IonicContact CZ-OE1 3.49Å; R51-E162 IonicContact CZ-OE2 2.69Å; R51-E162 IonicContact NH1-OE1 2.71Å; R51-E162 PolarHBondContact NH1-OE1 2.86Å; R51-E162 IonicContact NH1-OE2 2.77Å; R51-E162 PolarHBondContact NH1-OE2 3.13Å; R51-E162 VanDerWaalsContact NH2-CD 3.32Å; R51-E162 IonicContact NH2-OE1 3.86Å; R51-E162 PolarHBondContact NH2-OE1 2.85Å; R51-E162 IonicContact NH2-OE2 3.44Å; R51-E162 PolarHBondContact NH2-OE2 2.85Å; R51-E162 VanDerWaalsContact NH2-OE2 3.09Å; E162-A164 PolarHBondContact O-N 3.49Å; E162-F165 PolarHBondContact O-N 3.02Å; E162-T166 HydrophobicContact CG-CG2 4.18Å; E162-T166 WeakPolarHBondContact O-CG2 3.45Å; E162-T166 PolarHBondContact O-N 3.23Å; E162-T166 PolarHBondContact O-OG1 3.15Å
163	E	96.8	Very high	93	Very high	92 Å²	92	34 Å²	34	43%	0.43	19%	0.19	S	C	.	.	H	α-helix	trans	-61.5	-42.4	-178.4	-175.1	176.1	177.5	0	0	113	I151 N160 V161 F165 T166 N167	I151-E163 HydrophobicContact CD1-CB 4.11Å; I151-E163 HydrophobicContact CD1-CG 3.77Å; N160-E163 PolarHBondContact O-N 3.1Å; V161-E163 VanDerWaalsContact C-N 3.29Å; V161-E163 PolarHBondContact O-N 3.26Å; E163-F165 VanDerWaalsContact C-N 3.34Å; E163-F165 PolarHBondContact O-N 2.93Å; E163-T166 WeakPolarHBondContact CA-OG1 3.31Å; E163-T166 PolarHBondContact O-N 3.16Å; E163-T166 PolarHBondContact O-OG1 3.14Å; E163-N167 WeakPolarHBondContact CG-ND2 3.44Å; E163-N167 WeakPolarHBondContact O-CB 3.19Å; E163-N167 PolarHBondContact O-N 3.47Å; E163-N167 PolarHBondContact O-ND2 2.85Å
164	A	97.8	Very high	91.8	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-59.5	-44.8	178.5	0	0	0	0	0	111.9	M120 I151 T153 N160 V161 E162 I168	M120-A164 HydrophobicContact SD-CB 4.01Å; I151-A164 HydrophobicContact CG2-CB 3.84Å; T153-A164 HydrophobicContact CG2-CB 3.94Å; N160-A164 WeakPolarHBondContact O-CB 3.45Å; N160-A164 PolarHBondContact O-N 3.14Å; V161-A164 PolarHBondContact O-N 2.99Å; E162-A164 PolarHBondContact O-N 3.49Å; A164-I168 PolarHBondContact O-N 2.91Å
165	F	96.1	Very high	90.4	Very high	3 Å²	3	42.1 Å²	42.1	1%	0.013	23%	0.233	C	C	.	.	H	α-helix	trans	-74.7	-41.9	179.8	-76.8	-82.7	0	0	0	112.4	L16 L27 F31 I64 L88 V161 E162 E163 I168 L169	L16-F165 HydrophobicContact CD1-CZ 4.27Å; L16-F165 HydrophobicContact CD2-CE1 3.86Å; L16-F165 HydrophobicContact CD2-CZ 3.98Å; L27-F165 HydrophobicContact CB-CE2 4.32Å; L27-F165 HydrophobicContact CB-CZ 4.46Å; F31-F165 HydrophobicContact CB-CD2 3.67Å; F31-F165 HydrophobicContact CB-CE2 3.61Å; F31-F165 HydrophobicContact CB-CG 4.34Å; F31-F165 HydrophobicContact CB-CZ 4.2Å; F31-F165 HydrophobicContact CD1-CB 4.16Å; F31-F165 AromaticContact CD1-CD1 3.88Å; F31-F165 HydrophobicContact CD1-CD1 3.88Å; F31-F165 AromaticContact CD1-CD2 3.96Å; F31-F165 HydrophobicContact CD1-CD2 3.96Å; F31-F165 HydrophobicContact CD1-CE1 4.24Å; F31-F165 HydrophobicContact CD1-CE2 4.34Å; F31-F165 AromaticContact CD1-CG 3.73Å; F31-F165 HydrophobicContact CD1-CG 3.73Å; F31-F165 HydrophobicContact CD1-CZ 4.46Å; F31-F165 HydrophobicContact CD2-CB 3.65Å; F31-F165 AromaticContact CD2-CD2 3.52Å; F31-F165 HydrophobicContact CD2-CD2 3.52Å; F31-F165 HydrophobicContact CD2-CE2 4.35Å; F31-F165 AromaticContact CD2-CG 3.7Å; F31-F165 HydrophobicContact CD2-CG 3.7Å; F31-F165 HydrophobicContact CE1-CB 3.84Å; F31-F165 HydrophobicContact CE1-CD1 4.01Å; F31-F165 AromaticContact CE1-CG 3.88Å; F31-F165 HydrophobicContact CE1-CG 3.88Å; F31-F165 HydrophobicContact CE2-CB 3.32Å; F31-F165 HydrophobicContact CE2-CD2 4.15Å; F31-F165 AromaticContact CE2-CG 3.87Å; F31-F165 HydrophobicContact CE2-CG 3.87Å; F31-F165 HydrophobicContact CG-CB 4.08Å; F31-F165 HydrophobicContact CG-CD1 4.22Å; F31-F165 AromaticContact CG-CD2 3.44Å; F31-F165 HydrophobicContact CG-CD2 3.44Å; F31-F165 VanDerWaalsContact CG-CD2 3.44Å; F31-F165 AromaticContact CG-CE2 3.86Å; F31-F165 HydrophobicContact CG-CE2 3.86Å; F31-F165 AromaticContact CG-CG 3.65Å; F31-F165 HydrophobicContact CG-CG 3.65Å; F31-F165 HydrophobicContact CG-CZ 4.4Å; F31-F165 HydrophobicContact CZ-CB 3.43Å; F31-F165 VanDerWaalsContact CZ-CB 3.43Å; F31-F165 HydrophobicContact CZ-CD1 4.47Å; F31-F165 AromaticContact CZ-CG 3.97Å; F31-F165 HydrophobicContact CZ-CG 3.97Å; I64-F165 HydrophobicContact CD1-CD1 3.86Å; I64-F165 HydrophobicContact CD1-CE1 3.83Å; I64-F165 HydrophobicContact CG2-CE1 3.97Å; L88-F165 HydrophobicContact CD1-CD1 3.99Å; L88-F165 HydrophobicContact CD1-CD2 4.28Å; L88-F165 HydrophobicContact CD1-CE1 3.66Å; L88-F165 HydrophobicContact CD1-CE2 3.97Å; L88-F165 HydrophobicContact CD1-CG 4.29Å; L88-F165 HydrophobicContact CD1-CZ 3.65Å; V161-F165 HydrophobicContact CG1-CD2 4.2Å; V161-F165 HydrophobicContact CG1-CE2 4.13Å; V161-F165 VanDerWaalsContact O-CD2 3.3Å; V161-F165 WeakPolarHBondContact O-CD2 3.28Å; V161-F165 PolarHBondContact O-N 2.96Å; E162-F165 PolarHBondContact O-N 3.02Å; E163-F165 VanDerWaalsContact C-N 3.34Å; E163-F165 PolarHBondContact O-N 2.93Å; F165-I168 PolarHBondContact O-N 3.41Å; F165-L169 WeakPolarHBondContact O-CD1 3.25Å; F165-L169 VanDerWaalsContact O-CG 3.26Å; F165-L169 WeakPolarHBondContact O-CG 3.14Å; F165-L169 PolarHBondContact O-N 3.29Å
166	T	93.4	Very high	89	Confident	34 Å²	34	43.3 Å²	43.3	21%	0.209	24%	0.243	C	C	.	.	H	α-helix	trans	-65.4	-41.2	178.6	55.1	0	0	0	0	111.2	I53 E162 E163 I168 L169 T170	I53-T166 HydrophobicContact CD1-CG2 4.46Å; E162-T166 HydrophobicContact CG-CG2 4.18Å; E162-T166 WeakPolarHBondContact O-CG2 3.45Å; E162-T166 PolarHBondContact O-N 3.23Å; E162-T166 PolarHBondContact O-OG1 3.15Å; E163-T166 WeakPolarHBondContact CA-OG1 3.31Å; E163-T166 PolarHBondContact O-N 3.16Å; E163-T166 PolarHBondContact O-OG1 3.14Å; T166-I168 VanDerWaalsContact C-N 3.34Å; T166-I168 PolarHBondContact O-N 3.18Å; T166-L169 PolarHBondContact O-N 3.49Å; T166-L169 VanDerWaalsContact O-N 3.1Å; T166-T170 WeakPolarHBondContact O-CB 3.45Å; T166-T170 WeakPolarHBondContact O-CG2 3.08Å; T166-T170 PolarHBondContact O-N 2.66Å; T166-T170 PolarHBondContact O-OG1 3.41Å
167	N	92.9	Very high	87.5	Confident	66 Å²	66	40.7 Å²	40.7	35%	0.353	23%	0.231	S	C	.	.	H	α-helix	trans	-61.8	-37.1	178.2	-75.2	-10.5	0	0	0	113.4	M120 E163 T170 G171	M120-N167 HydrophobicContact CE-CB 3.66Å; E163-N167 WeakPolarHBondContact CG-ND2 3.44Å; E163-N167 WeakPolarHBondContact O-CB 3.19Å; E163-N167 PolarHBondContact O-N 3.47Å; E163-N167 PolarHBondContact O-ND2 2.85Å; N167-T170 WeakPolarHBondContact CA-OG1 3.23Å; N167-T170 PolarHBondContact O-OG1 3.06Å; N167-G171 PolarHBondContact O-N 3.24Å
168	I	92.6	Very high	86.1	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-45.7	172.3	-75.7	-61.5	0	0	0	111	V14 L88 V118 M120 A164 F165 T166 Q172	V14-I168 HydrophobicContact CG1-CG2 4.31Å; V14-I168 HydrophobicContact CG2-CG2 3.92Å; L88-I168 HydrophobicContact CD2-CD1 4.17Å; L88-I168 HydrophobicContact CD2-CG1 3.45Å; L88-I168 VanDerWaalsContact CD2-CG1 3.45Å; L88-I168 HydrophobicContact CG-CG1 4.49Å; V118-I168 HydrophobicContact CG1-CD1 3.75Å; M120-I168 HydrophobicContact CB-CD1 3.58Å; M120-I168 HydrophobicContact CB-CG1 4.11Å; A164-I168 PolarHBondContact O-N 2.91Å; F165-I168 PolarHBondContact O-N 3.41Å; T166-I168 VanDerWaalsContact C-N 3.34Å; T166-I168 PolarHBondContact O-N 3.18Å; I168-Q172 WeakPolarHBondContact O-CG 3.32Å; I168-Q172 PolarHBondContact O-N 3.09Å; I168-Q172 VanDerWaalsContact O-N 3.13Å
169	L	88.4	Confident	84.3	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-71.1	-39.7	-175.5	-65	168.4	0	0	0	111.7	F12 V14 I53 V60 A62 F165 T166 W173	F12-L169 HydrophobicContact CB-CD2 3.8Å; F12-L169 HydrophobicContact CD2-CD2 3.93Å; F12-L169 WeakPolarHBondContact CE2-O 3.36Å; F12-L169 HydrophobicContact CG-CD2 4.4Å; V14-L169 HydrophobicContact CG2-CD2 3.88Å; I53-L169 HydrophobicContact CD1-CB 3.72Å; I53-L169 HydrophobicContact CD1-CD1 3.47Å; I53-L169 VanDerWaalsContact CD1-CD1 3.47Å; I53-L169 HydrophobicContact CD1-CG 4.24Å; I53-L169 HydrophobicContact CG1-CD1 4.05Å; V60-L169 HydrophobicContact CG1-CD2 4.42Å; A62-L169 HydrophobicContact CB-CD1 3.8Å; A62-L169 HydrophobicContact CB-CD2 3.77Å; A62-L169 HydrophobicContact CB-CG 4.45Å; F165-L169 WeakPolarHBondContact O-CD1 3.25Å; F165-L169 VanDerWaalsContact O-CG 3.26Å; F165-L169 WeakPolarHBondContact O-CG 3.14Å; F165-L169 PolarHBondContact O-N 3.29Å; T166-L169 PolarHBondContact O-N 3.49Å; T166-L169 VanDerWaalsContact O-N 3.1Å; L169-W173 PolarHBondContact O-N 3.41Å
170	T	85.5	Confident	82.4	Confident	46 Å²	46	49.2 Å²	49.2	28%	0.282	26%	0.26	S	S	.	.	H	α-helix	trans	-73.5	-38.6	176.2	57.6	0	0	0	0	111.8	V55 T166 N167 Q172 W173 T174	V55-T170 HydrophobicContact CG1-CG2 3.92Å; V55-T170 HydrophobicContact CG2-CG2 3.95Å; T166-T170 WeakPolarHBondContact O-CB 3.45Å; T166-T170 WeakPolarHBondContact O-CG2 3.08Å; T166-T170 PolarHBondContact O-N 2.66Å; T166-T170 PolarHBondContact O-OG1 3.41Å; N167-T170 WeakPolarHBondContact CA-OG1 3.23Å; N167-T170 PolarHBondContact O-OG1 3.06Å; T170-Q172 VanDerWaalsContact C-N 3.27Å; T170-Q172 PolarHBondContact O-N 2.9Å; T170-W173 WeakPolarHBondContact O-CA 3.27Å; T170-W173 WeakPolarHBondContact O-CB 3.35Å; T170-W173 PolarHBondContact O-N 2.91Å; T170-W173 VanDerWaalsContact O-N 3.07Å; T170-T174 PolarHBondContact O-N 3.42Å; T170-T174 PolarHBondContact O-OG1 3.04Å
171	G	79	Confident	80.3	Confident	28 Å²	28	55 Å²	55	29%	0.289	28%	0.279	S	S	.	.	H	α-helix	trans	-58.8	-40.3	174.1	0	0	0	0	0	112.3	N167 F175	N167-G171 PolarHBondContact O-N 3.24Å; G171-F175 PolarHBondContact O-N 3.27Å
172	Q	76.7	Confident	77.9	Confident	13 Å²	13	62.7 Å²	62.7	6%	0.061	32%	0.32	C	S	.	.	H	α-helix	trans	-66.8	-39.9	172.1	-78.5	-61.7	-36.7	0	0	113.1	F12 V85 N116 V118 I168 T170 F175 A176	F12-Q172 HydrophobicContact CD2-CB 4.01Å; F12-Q172 HydrophobicContact CE2-CB 3.69Å; F12-Q172 HydrophobicContact CZ-CB 4.26Å; V85-Q172 HydrophobicContact CB-CG 4.14Å; V85-Q172 HydrophobicContact CG2-CG 4.12Å; V85-Q172 WeakPolarHBondContact O-CG 3.34Å; V85-Q172 PolarHBondContact O-NE2 3.44Å; N116-Q172 PolarHBondContact O-NE2 3.31Å; V118-Q172 HydrophobicContact CB-CG 4.19Å; V118-Q172 HydrophobicContact CG2-CG 4.32Å; I168-Q172 WeakPolarHBondContact O-CG 3.32Å; I168-Q172 PolarHBondContact O-N 3.09Å; I168-Q172 VanDerWaalsContact O-N 3.13Å; T170-Q172 VanDerWaalsContact C-N 3.27Å; T170-Q172 PolarHBondContact O-N 2.9Å; Q172-F175 PolarHBondContact O-N 3.26Å; Q172-A176 WeakPolarHBondContact O-CB 3.42Å; Q172-A176 PolarHBondContact O-N 3.34Å
173	W	72.8	Confident	77	Confident	14 Å²	14	61.7 Å²	61.7	5%	0.053	32%	0.317	C	S	.	.	H	α-helix	trans	-60.2	-46.7	174.7	176.4	-109.3	0	0	0	112.6	Y10 F12 V55 D56 K58 L169 T170 F175 A176 S177	Y10-W173 HydrophobicContact CD1-CZ3 4.02Å; Y10-W173 HydrophobicContact CD2-CE3 4.11Å; Y10-W173 AromaticContact CD2-CH2 3.93Å; Y10-W173 HydrophobicContact CD2-CH2 3.93Å; Y10-W173 AromaticContact CD2-CZ3 3.3Å; Y10-W173 HydrophobicContact CD2-CZ3 3.3Å; Y10-W173 HydrophobicContact CE1-CH2 4.43Å; Y10-W173 AromaticContact CE1-CZ3 3.76Å; Y10-W173 HydrophobicContact CE1-CZ3 3.76Å; Y10-W173 HydrophobicContact CE2-CE3 4.21Å; Y10-W173 AromaticContact CE2-CH2 3.25Å; Y10-W173 HydrophobicContact CE2-CH2 3.25Å; Y10-W173 AromaticContact CE2-CZ3 3.04Å; Y10-W173 HydrophobicContact CE2-CZ3 3.04Å; Y10-W173 HydrophobicContact CG-CE3 4.41Å; Y10-W173 AromaticContact CG-CZ3 3.82Å; Y10-W173 HydrophobicContact CG-CZ3 3.82Å; Y10-W173 AromaticContact CZ-CH2 3.55Å; Y10-W173 AromaticContact CZ-CZ3 3.27Å; F12-W173 HydrophobicContact CE2-CB 4.39Å; F12-W173 HydrophobicContact CZ-CE3 4.44Å; V55-W173 HydrophobicContact CG1-CB 4.18Å; V55-W173 VanDerWaalsContact CG1-CD1 3.48Å; V55-W173 HydrophobicContact CG1-CG 3.79Å; D56-W173 PolarHBondContact OD2-NE1 2.95Å; K58-W173 HydrophobicContact CB-CH2 4.2Å; K58-W173 HydrophobicContact CB-CZ2 4.32Å; K58-W173 HydrophobicContact CG-CH2 3.76Å; K58-W173 HydrophobicContact CG-CZ2 3.82Å; L169-W173 PolarHBondContact O-N 3.41Å; T170-W173 WeakPolarHBondContact O-CA 3.27Å; T170-W173 WeakPolarHBondContact O-CB 3.35Å; T170-W173 PolarHBondContact O-N 2.91Å; T170-W173 VanDerWaalsContact O-N 3.07Å; W173-F175 VanDerWaalsContact C-N 3.3Å; W173-F175 PolarHBondContact O-N 2.59Å; W173-A176 PolarHBondContact O-N 3.03Å; W173-S177 WeakPolarHBondContact O-CB 3.32Å; W173-S177 PolarHBondContact O-N 3.32Å; W173-S177 PolarHBondContact O-OG 2.83Å
174	T	73.6	Confident	75.9	Confident	91 Å²	91	60.1 Å²	60.1	56%	0.558	31%	0.311	S	S	*	.	H	α-helix	trans	-61	-40.8	177.1	-55	0	0	0	0	111.3	T170 S177 H178	T170-T174 PolarHBondContact O-N 3.42Å; T170-T174 PolarHBondContact O-OG1 3.04Å; T174-S177 WeakPolarHBondContact CA-OG 3.45Å; T174-S177 PolarHBondContact O-OG 2.92Å; T174-S177 VanDerWaalsContact O-OG 3.13Å; T174-H178 PolarHBondContact O-N 3.29Å
175	F	70.7	Confident	74.7	Confident	78 Å²	78	63.4 Å²	63.4	34%	0.342	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-51.3	173.8	-175.7	-97.1	0	0	0	111.6	N116 G171 Q172 W173 H178 F179	N116-F175 HydrophobicContact CB-CE1 3.93Å; N116-F175 HydrophobicContact CB-CZ 3.81Å; G171-F175 PolarHBondContact O-N 3.27Å; Q172-F175 PolarHBondContact O-N 3.26Å; W173-F175 VanDerWaalsContact C-N 3.3Å; W173-F175 PolarHBondContact O-N 2.59Å; F175-H178 PolarHBondContact O-N 3.07Å; F175-F179 HydrophobicContact CD1-CD2 4.36Å; F175-F179 AromaticContact CD1-CE2 3.97Å; F175-F179 HydrophobicContact CD1-CE2 3.97Å; F175-F179 HydrophobicContact CD2-CE2 4.02Å; F175-F179 HydrophobicContact CE1-CD2 4.16Å; F175-F179 AromaticContact CE1-CE2 3.54Å; F175-F179 HydrophobicContact CE1-CE2 3.54Å; F175-F179 HydrophobicContact CE1-CZ 4.4Å; F175-F179 AromaticContact CE2-CE2 3.62Å; F175-F179 HydrophobicContact CE2-CE2 3.62Å; F175-F179 HydrophobicContact CE2-CZ 4.09Å; F175-F179 HydrophobicContact CG-CE2 4.19Å; F175-F179 HydrophobicContact CZ-CD2 4.39Å; F175-F179 AromaticContact CZ-CE2 3.36Å; F175-F179 HydrophobicContact CZ-CE2 3.36Å; F175-F179 AromaticContact CZ-CZ 3.85Å; F175-F179 HydrophobicContact CZ-CZ 3.85Å; F175-F179 WeakPolarHBondContact O-CD2 3.45Å
176	A	68.5	Low	73.5	Confident	28 Å²	28	66.9 Å²	66.9	23%	0.231	35%	0.346	C	S	.	.	H	α-helix	trans	-64.5	-43.7	-177.4	0	0	0	0	0	113.4	Q172 W173 H178 F179 L180	Q172-A176 WeakPolarHBondContact O-CB 3.42Å; Q172-A176 PolarHBondContact O-N 3.34Å; W173-A176 PolarHBondContact O-N 3.03Å; A176-H178 VanDerWaalsContact C-N 3.26Å; A176-H178 PolarHBondContact O-N 3.34Å; A176-F179 PolarHBondContact O-N 2.9Å; A176-F179 VanDerWaalsContact O-N 3.17Å; A176-L180 PolarHBondContact O-N 3.44Å
177	S	65.7	Low	72.2	Confident	24 Å²	24	69 Å²	69	17%	0.168	36%	0.355	C	S	.	.	H	α-helix	trans	-63.1	-32	179.2	53.2	0	0	0	0	112.5	W173 T174 F179 L180 Y181	W173-S177 WeakPolarHBondContact O-CB 3.32Å; W173-S177 PolarHBondContact O-N 3.32Å; W173-S177 PolarHBondContact O-OG 2.83Å; T174-S177 WeakPolarHBondContact CA-OG 3.45Å; T174-S177 PolarHBondContact O-OG 2.92Å; T174-S177 VanDerWaalsContact O-OG 3.13Å; S177-F179 PolarHBondContact O-N 3.48Å; S177-L180 PolarHBondContact O-N 2.8Å; S177-Y181 VanDerWaalsContact O-CD2 3.3Å; S177-Y181 WeakPolarHBondContact O-CD2 3.46Å; S177-Y181 PolarHBondContact O-N 2.93Å
178	H	67.1	Low	70.8	Confident	126 Å²	126	69.2 Å²	69.2	58%	0.583	36%	0.355	S	S	*	.	H	α-helix	trans	-66.3	-22.9	177.3	-160.3	-153.1	0	0	0	113.5	T174 F175 A176 N182	T174-H178 PolarHBondContact O-N 3.29Å; F175-H178 PolarHBondContact O-N 3.07Å; A176-H178 VanDerWaalsContact C-N 3.26Å; A176-H178 PolarHBondContact O-N 3.34Å; H178-N182 PolarHBondContact CD2-ND2 3.4Å; H178-N182 PolarHBondContact NE2-ND2 2.9Å; H178-N182 PolarHBondContact O-ND2 3.35Å
179	F	61.7	Low	69.3	Low	131 Å²	131	74.1 Å²	74.1	58%	0.575	38%	0.38	S	S	*	.	H	α-helix	trans	-93.5	-18.7	174.2	-66.7	-79.8	0	0	0	114	F175 A176 S177	F175-F179 HydrophobicContact CD1-CD2 4.36Å; F175-F179 AromaticContact CD1-CE2 3.97Å; F175-F179 HydrophobicContact CD1-CE2 3.97Å; F175-F179 HydrophobicContact CD2-CE2 4.02Å; F175-F179 HydrophobicContact CE1-CD2 4.16Å; F175-F179 AromaticContact CE1-CE2 3.54Å; F175-F179 HydrophobicContact CE1-CE2 3.54Å; F175-F179 HydrophobicContact CE1-CZ 4.4Å; F175-F179 AromaticContact CE2-CE2 3.62Å; F175-F179 HydrophobicContact CE2-CE2 3.62Å; F175-F179 HydrophobicContact CE2-CZ 4.09Å; F175-F179 HydrophobicContact CG-CE2 4.19Å; F175-F179 HydrophobicContact CZ-CD2 4.39Å; F175-F179 AromaticContact CZ-CE2 3.36Å; F175-F179 HydrophobicContact CZ-CE2 3.36Å; F175-F179 AromaticContact CZ-CZ 3.85Å; F175-F179 HydrophobicContact CZ-CZ 3.85Å; F175-F179 WeakPolarHBondContact O-CD2 3.45Å; A176-F179 PolarHBondContact O-N 2.9Å; A176-F179 VanDerWaalsContact O-N 3.17Å; S177-F179 PolarHBondContact O-N 3.48Å
180	L	58.3	Low	67.8	Low	105 Å²	105	79.6 Å²	79.6	55%	0.55	41%	0.408	S	S	.	.	H	α-helix	trans	-82.8	-22.3	179.6	-71.5	172.6	0	0	0	112.6	Y10 A176 S177	Y10-L180 HydrophobicContact CE1-CD1 4.39Å; A176-L180 PolarHBondContact O-N 3.44Å; S177-L180 PolarHBondContact O-N 2.8Å
181	Y	54.8	Low	66.3	Low	185 Å²	185	82.4 Å²	82.4	73%	0.725	42%	0.419	S	S	*	.			trans	-112.6	3.9	-176.7	-65	-69.4	0	0	0	114.6	S177	S177-Y181 VanDerWaalsContact O-CD2 3.3Å; S177-Y181 WeakPolarHBondContact O-CD2 3.46Å; S177-Y181 PolarHBondContact O-N 2.93Å
182	N	47.1	Very low	65.2	Low	166 Å²	166	87.4 Å²	87.4	89%	0.888	43%	0.43	S	S	*	.			trans	-121.5	0	171.8	-68.6	-44.9	0	0	0	110.1	H178	H178-N182 PolarHBondContact CD2-ND2 3.4Å; H178-N182 PolarHBondContact NE2-ND2 2.9Å; H178-N182 PolarHBondContact O-ND2 3.35Å

Retrieved 182 of 182 residues in 77.4 ms (Link to these results)

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