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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 G4M0X0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 213 aa.

Structure Viewer

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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	28.8	Very low	50	Low	246 Å²	246	132.3 Å²	132.3	100%	1.212	68%	0.68	S	S	*	*				0	95.8	0	-102.7	179.3	170.9	0	0	108.2
2	I	27.1	Very low	53.8	Low	169 Å²	169	121.3 Å²	121.3	87%	0.867	62%	0.624	S	S	*	*			trans	-90.2	113.2	172.8	-60.5	173.5	0	0	0	106	K4	I2-K4 PolarHBondContact O-N 2.84Å
3	R	26.2	Very low	57	Low	212 Å²	212	114.2 Å²	114.2	80%	0.8	59%	0.585	S	S	*	*			trans	-59.8	126.3	176.1	-85.9	-178.1	172.1	174.6	-2.2	108.5	D5	R3-D5 PolarHBondContact O-N 3.32Å
4	K	31.4	Very low	59.8	Low	193 Å²	193	106 Å²	106	84%	0.839	54%	0.544	S	S	*	.			trans	-67.5	70.7	163	-78.3	-177.1	173.3	178.5	0	108.8	I2 S6	I2-K4 PolarHBondContact O-N 2.84Å; K4-S6 PolarHBondContact O-N 2.88Å; K4-S6 PolarHBondContact O-OG 3.01Å
5	D	37.6	Very low	62.3	Low	106 Å²	106	98.9 Å²	98.9	57%	0.567	51%	0.507	S	S	*	.			trans	-70.5	90.5	155.6	-75.9	-24.4	0	0	0	105.4	R3 N7 I8	R3-D5 PolarHBondContact O-N 3.32Å; D5-N7 PolarHBondContact O-N 3.29Å; D5-I8 HydrophobicContact CB-CD1 4Å; D5-I8 HydrophobicContact CB-CG1 3.86Å; D5-I8 WeakPolarHBondContact O-CG1 3.19Å; D5-I8 PolarHBondContact O-N 3.14Å; D5-I8 VanDerWaalsContact O-N 3.14Å
6	S	47	Very low	64.4	Low	95 Å²	95	92.8 Å²	92.8	66%	0.664	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	1.6	-174.5	-52.9	0	0	0	0	113.2	K4	K4-S6 PolarHBondContact O-N 2.88Å; K4-S6 PolarHBondContact O-OG 3.01Å
7	N	46.4	Very low	66.2	Low	160 Å²	160	87.3 Å²	87.3	86%	0.856	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	14.1	-175	-119.4	5	0	0	0	113.7	D5 G9	D5-N7 PolarHBondContact O-N 3.29Å; N7-G9 VanDerWaalsContact C-N 3.28Å; N7-G9 PolarHBondContact O-N 3.22Å
8	I	53.8	Low	67.8	Low	118 Å²	118	82.4 Å²	82.4	61%	0.605	42%	0.423	S	S	*	.			trans	-65.6	94.7	169.1	-60.3	164.8	0	0	0	107.2	D5 L10	D5-I8 HydrophobicContact CB-CD1 4Å; D5-I8 HydrophobicContact CB-CG1 3.86Å; D5-I8 WeakPolarHBondContact O-CG1 3.19Å; D5-I8 PolarHBondContact O-N 3.14Å; D5-I8 VanDerWaalsContact O-N 3.14Å; I8-L10 PolarHBondContact O-N 2.81Å
9	G	71.6	Confident	69.2	Low	51 Å²	51	79.1 Å²	79.1	53%	0.526	41%	0.406	S	S	.	.			trans	-63.1	129.1	176.5	0	0	0	0	0	109.7	N7	N7-G9 VanDerWaalsContact C-N 3.28Å; N7-G9 PolarHBondContact O-N 3.22Å
10	L	87.8	Confident	70.4	Confident	52 Å²	52	76.7 Å²	76.7	27%	0.272	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	132.1	176.4	-66.3	172.5	0	0	0	109.1	I8 F12 V60 K61 Y173	I8-L10 PolarHBondContact O-N 2.81Å; L10-F12 HydrophobicContact CB-CD1 4.45Å; L10-F12 HydrophobicContact CB-CE1 3.84Å; L10-F12 HydrophobicContact CB-CZ 4.26Å; L10-F12 HydrophobicContact CD1-CE1 4.36Å; L10-F12 HydrophobicContact CD1-CZ 4.17Å; L10-V60 HydrophobicContact CB-CG1 4.45Å; L10-V60 HydrophobicContact CB-CG2 4.23Å; L10-V60 HydrophobicContact CD1-CG2 4.22Å; L10-V60 CarbonylContact O-C 3.54Å; L10-K61 PolarHBondContact O-N 3.09Å; L10-Y173 HydrophobicContact CD1-CD2 3.61Å; L10-Y173 HydrophobicContact CD1-CE2 3.55Å
11	L	92.5	Very high	71.5	Confident	53 Å²	53	75.1 Å²	75.1	28%	0.277	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115	177.2	-176.9	72.4	0	0	0	109.5	K61 Q63 M184 T187	L11-K61 WeakPolarHBondContact CA-O 3.45Å; L11-K61 HydrophobicContact CD1-CB 4Å; L11-K61 HydrophobicContact CD1-CD 3.76Å; L11-K61 HydrophobicContact CD1-CG 3.78Å; L11-Q63 HydrophobicContact CD1-CG 3.86Å; L11-M184 WeakPolarHBondContact O-CE 3.48Å; L11-T187 HydrophobicContact CD2-CG2 3.89Å
12	F	95.6	Very high	74.7	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.5	177.9	-65.7	-6.6	0	0	0	110.5	L10 V60 K61 A62 Q63 V85 I169 I172 Y173 I176 M184	L10-F12 HydrophobicContact CB-CD1 4.45Å; L10-F12 HydrophobicContact CB-CE1 3.84Å; L10-F12 HydrophobicContact CB-CZ 4.26Å; L10-F12 HydrophobicContact CD1-CE1 4.36Å; L10-F12 HydrophobicContact CD1-CZ 4.17Å; F12-V60 HydrophobicContact CB-CG1 4.25Å; F12-V60 HydrophobicContact CD1-CG1 4.18Å; F12-V60 HydrophobicContact CD2-CG1 3.36Å; F12-V60 HydrophobicContact CE1-CG1 4.34Å; F12-V60 HydrophobicContact CE2-CG1 3.55Å; F12-V60 HydrophobicContact CE2-CG2 4.2Å; F12-V60 HydrophobicContact CG-CG1 3.67Å; F12-V60 HydrophobicContact CZ-CG1 4.04Å; F12-V60 HydrophobicContact CZ-CG2 4.35Å; F12-K61 PolarHBondContact N-O 3Å; F12-A62 CarbonylContact O-C 3.46Å; F12-A62 WeakPolarHBondContact O-CA 3.24Å; F12-Q63 PolarHBondContact O-N 3.33Å; F12-V85 HydrophobicContact CB-CG2 3.99Å; F12-V85 HydrophobicContact CD1-CG2 4.42Å; F12-V85 HydrophobicContact CG-CG2 4.31Å; F12-I169 HydrophobicContact CD2-CG2 3.96Å; F12-I169 HydrophobicContact CE2-CG2 4.27Å; F12-I172 HydrophobicContact CD1-CG2 4.07Å; F12-I172 HydrophobicContact CD2-CB 3.9Å; F12-I172 HydrophobicContact CD2-CD1 4.44Å; F12-I172 HydrophobicContact CD2-CG2 3.49Å; F12-I172 VanDerWaalsContact CD2-CG2 3.49Å; F12-I172 HydrophobicContact CE1-CG2 4.11Å; F12-I172 HydrophobicContact CE2-CB 3.9Å; F12-I172 HydrophobicContact CE2-CG2 3.54Å; F12-I172 HydrophobicContact CG-CG2 3.81Å; F12-I172 HydrophobicContact CZ-CG2 3.88Å; F12-Y173 HydrophobicContact CZ-CD2 4.24Å; F12-I176 HydrophobicContact CD1-CD1 4.28Å; F12-I176 HydrophobicContact CE1-CD1 3.66Å; F12-I176 HydrophobicContact CZ-CD1 4.05Å; F12-M184 HydrophobicContact CD1-CE 3.59Å; F12-M184 HydrophobicContact CE1-CE 3.95Å
13	K	94.9	Very high	78	Confident	29 Å²	29	55.9 Å²	55.9	13%	0.126	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	117.4	172.9	178.1	172.8	176.3	-168.8	0	109.6	Y80 R82 A84 V85 G86	K13-Y80 WeakPolarHBondContact CE-O 2.97Å; K13-Y80 PolarHBondContact NZ-O 3.05Å; K13-R82 PolarHBondContact NZ-O 2.86Å; K13-A84 HydrophobicContact CG-CB 4.45Å; K13-V85 WeakPolarHBondContact O-CG2 3.22Å; K13-V85 PolarHBondContact O-N 3.17Å; K13-G86 PolarHBondContact O-N 2.83Å
14	I	97.2	Very high	81.3	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.5	179	-57.4	174.3	0	0	0	108.9	Q63 I64 W65 G86 I88 T168 I169 I172	I14-Q63 PolarHBondContact N-O 3.03Å; I14-I64 HydrophobicContact CB-CD1 3.92Å; I14-I64 HydrophobicContact CD1-CD1 3.99Å; I14-I64 HydrophobicContact CG1-CD1 4.41Å; I14-I64 HydrophobicContact CG2-CD1 4.4Å; I14-I64 WeakPolarHBondContact O-CA 3.42Å; I14-W65 PolarHBondContact O-N 3.07Å; I14-G86 VanDerWaalsContact CA-O 3.28Å; I14-G86 WeakPolarHBondContact CA-O 3.29Å; I14-I88 HydrophobicContact CG2-CD1 4.13Å; I14-I88 HydrophobicContact CG2-CG1 3.99Å; I14-T168 HydrophobicContact CD1-CG2 4.36Å; I14-I169 HydrophobicContact CD1-CD1 4.41Å; I14-I169 HydrophobicContact CD1-CG1 3.56Å; I14-I172 HydrophobicContact CD1-CD1 3.91Å; I14-I172 HydrophobicContact CG1-CD1 3.93Å
15	V	96.1	Very high	84.4	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	136.7	178.6	-65.2	0	0	0	0	111.2	I17 W65 Y81 A84 G86 A87 I88 L109	V15-I17 HydrophobicContact CB-CG2 4.47Å; V15-I17 HydrophobicContact CG2-CG2 4.22Å; V15-W65 HydrophobicContact CG1-CB 4.08Å; V15-Y81 HydrophobicContact CG2-CD1 4.27Å; V15-A84 HydrophobicContact CG1-CB 3.94Å; V15-A84 HydrophobicContact CG2-CB 4.04Å; V15-G86 PolarHBondContact N-O 2.82Å; V15-G86 VanDerWaalsContact N-O 3.07Å; V15-A87 HydrophobicContact CG2-CB 3.84Å; V15-A87 CarbonylContact O-C 3.46Å; V15-A87 WeakPolarHBondContact O-CA 3.49Å; V15-I88 PolarHBondContact O-N 3.14Å; V15-L109 HydrophobicContact CG2-CD1 4.15Å
16	L	96.7	Very high	87.2	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	123.5	169.4	-52.3	-172.6	0	0	0	108.8	K24 R28 I64 W65 T67 I88 F165	L16-K24 HydrophobicContact CB-CB 4.12Å; L16-K24 HydrophobicContact CB-CD 4.13Å; L16-K24 HydrophobicContact CB-CG 4.34Å; L16-K24 HydrophobicContact CD1-CB 4.22Å; L16-K24 VanDerWaalsContact CD1-O 3.29Å; L16-K24 WeakPolarHBondContact CD1-O 3.27Å; L16-R28 HydrophobicContact CD1-CB 3.8Å; L16-I64 HydrophobicContact CD1-CG2 3.91Å; L16-I64 HydrophobicContact CD2-CG2 3.94Å; L16-I64 HydrophobicContact CG-CG2 3.84Å; L16-W65 PolarHBondContact N-O 3.04Å; L16-T67 PolarHBondContact O-OG1 3.07Å; L16-I88 WeakPolarHBondContact CA-O 3.01Å; L16-I88 HydrophobicContact CD2-CB 3.6Å; L16-I88 HydrophobicContact CD2-CD1 3.8Å; L16-I88 HydrophobicContact CD2-CG1 4.09Å; L16-I88 HydrophobicContact CD2-CG2 4.13Å; L16-F165 HydrophobicContact CD1-CZ 4.46Å; L16-F165 HydrophobicContact CD2-CE1 4.03Å; L16-F165 HydrophobicContact CD2-CZ 3.9Å
17	I	95	Very high	89.6	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	158	-178.2	62.4	172.8	0	0	0	111.3	V15 Y81 I88 L89 V90 W105 L109	V15-I17 HydrophobicContact CB-CG2 4.47Å; V15-I17 HydrophobicContact CG2-CG2 4.22Å; I17-Y81 HydrophobicContact CG2-CD1 4.33Å; I17-Y81 HydrophobicContact CG2-CE1 3.41Å; I17-Y81 VanDerWaalsContact CG2-CE1 3.41Å; I17-I88 PolarHBondContact N-O 2.91Å; I17-L89 HydrophobicContact CD1-CB 4.47Å; I17-L89 HydrophobicContact CD1-CD1 3.9Å; I17-L89 HydrophobicContact CG1-CB 4.21Å; I17-L89 HydrophobicContact CG1-CD1 3.76Å; I17-V90 PolarHBondContact O-N 2.84Å; I17-W105 HydrophobicContact CB-CE3 4.42Å; I17-W105 HydrophobicContact CD1-CB 4.42Å; I17-L109 HydrophobicContact CD1-CB 3.88Å; I17-L109 HydrophobicContact CD1-CD1 4.42Å; I17-L109 HydrophobicContact CD1-CD2 3.94Å; I17-L109 HydrophobicContact CD1-CG 4.3Å
18	G	95.1	Very high	92	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	134.5	172.4	-175.6	0	0	0	0	0	112.4	K24 G69 W105	G18-K24 PolarHBondContact O-NZ 2.83Å; G18-G69 WeakPolarHBondContact O-CA 3.34Å; G18-W105 VanDerWaalsContact C-CE2 3.45Å; G18-W105 WeakPolarHBondContact O-CZ2 3.3Å
19	D	94.4	Very high	94	Very high	19 Å²	19	18.5 Å²	18.5	10%	0.102	13%	0.125	C	C	.	.	S	Bend	trans	-58.3	161.2	-174.8	-80.1	6	0	0	0	113.7	V22 K24 H97 T98 N101 W105	D19-V22 HydrophobicContact CB-CG1 3.86Å; D19-V22 VanDerWaalsContact O-CG2 3.25Å; D19-V22 WeakPolarHBondContact O-CG2 3.4Å; D19-K24 PolarHBondContact O-NZ 2.81Å; D19-H97 IonicContact OD2-CD2 3.74Å; D19-T98 HydrophobicContact CB-CG2 3.95Å; D19-T98 WeakPolarHBondContact OD2-CA 3.25Å; D19-N101 PolarHBondContact OD2-ND2 2.86Å; D19-W105 PolarHBondContact OD1-NE1 3.17Å
20	S	92.7	Very high	95.3	Very high	31 Å²	31	18 Å²	18	22%	0.217	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	139	171.3	-170.6	0	0	0	0	111.2	V22 S42 G69 Q70	S20-V22 VanDerWaalsContact C-N 3.3Å; S20-V22 PolarHBondContact O-N 3.23Å; S20-S42 PolarHBondContact OG-OG 2.95Å; S20-G69 PolarHBondContact N-O 2.96Å; S20-G69 VanDerWaalsContact N-O 3.16Å; S20-Q70 PolarHBondContact OG-NE2 3.13Å; S20-Q70 VanDerWaalsContact OG-NE2 3.16Å
21	G	93.1	Very high	95.8	Very high	44 Å²	44	15.8 Å²	15.8	45%	0.454	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	5.1	175	0	0	0	0	0	116.2	G23 K125	G21-G23 PolarHBondContact O-N 3.02Å; G21-K125 WeakPolarHBondContact O-CE 3.03Å; G21-K125 PolarHBondContact O-NZ 3.04Å
22	V	96.2	Very high	95.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-71.8	-16.3	173.5	-57.5	0	0	0	0	113.3	D19 S20 K24 V90 D92 T98 N124 K125	D19-V22 HydrophobicContact CB-CG1 3.86Å; D19-V22 VanDerWaalsContact O-CG2 3.25Å; D19-V22 WeakPolarHBondContact O-CG2 3.4Å; S20-V22 VanDerWaalsContact C-N 3.3Å; S20-V22 PolarHBondContact O-N 3.23Å; V22-K24 HydrophobicContact CG2-CD 4.41Å; V22-K24 HydrophobicContact CG2-CG 3.69Å; V22-V90 HydrophobicContact CB-CG1 4.15Å; V22-V90 HydrophobicContact CG2-CB 3.86Å; V22-V90 HydrophobicContact CG2-CG1 3.7Å; V22-D92 HydrophobicContact CB-CB 4.31Å; V22-D92 HydrophobicContact CG1-CB 4.22Å; V22-T98 HydrophobicContact CG1-CG2 3.7Å; V22-N124 PolarHBondContact O-ND2 3.37Å; V22-K125 WeakPolarHBondContact O-CE 3.35Å
23	G	96.7	Very high	95.9	Very high	11 Å²	11	18.7 Å²	18.7	11%	0.113	11%	0.112	C	C	.	.	S	Bend	trans	103.8	20.4	174.5	0	0	0	0	0	116	G21 T25 N26 L27	G21-G23 PolarHBondContact O-N 3.02Å; G23-T25 VanDerWaalsContact C-N 3.35Å; G23-T25 PolarHBondContact O-N 3.43Å; G23-N26 PolarHBondContact O-N 2.77Å; G23-N26 VanDerWaalsContact O-N 3.16Å; G23-L27 PolarHBondContact O-N 3.3Å
24	K	95.7	Very high	95.9	Very high	9 Å²	9	22.4 Å²	22.4	4%	0.039	13%	0.133	C	C	.	.	H	α-helix	trans	-50.3	-49.5	176.8	-59	-172.9	-63.9	-76.2	0	113.2	L16 G18 D19 V22 N26 L27 R28 D66 T67 V90	L16-K24 HydrophobicContact CB-CB 4.12Å; L16-K24 HydrophobicContact CB-CD 4.13Å; L16-K24 HydrophobicContact CB-CG 4.34Å; L16-K24 HydrophobicContact CD1-CB 4.22Å; L16-K24 VanDerWaalsContact CD1-O 3.29Å; L16-K24 WeakPolarHBondContact CD1-O 3.27Å; G18-K24 PolarHBondContact O-NZ 2.83Å; D19-K24 PolarHBondContact O-NZ 2.81Å; V22-K24 HydrophobicContact CG2-CD 4.41Å; V22-K24 HydrophobicContact CG2-CG 3.69Å; K24-N26 PolarHBondContact O-N 3.1Å; K24-L27 WeakPolarHBondContact O-CB 3.08Å; K24-L27 PolarHBondContact O-N 3Å; K24-R28 PolarHBondContact O-N 3.28Å; K24-D66 WeakPolarHBondContact CB-OD1 3.23Å; K24-T67 WeakPolarHBondContact CE-O 3.1Å; K24-V90 HydrophobicContact CG-CB 4.18Å; K24-V90 HydrophobicContact CG-CG2 4.16Å
25	T	95.4	Very high	95.8	Very high	33 Å²	33	27.5 Å²	27.5	20%	0.202	16%	0.157	C	C	.	.	H	α-helix	trans	-59.2	-44.4	178.3	-44.5	0	0	0	0	112.3	G23 R28 S29 T43 D66	G23-T25 VanDerWaalsContact C-N 3.35Å; G23-T25 PolarHBondContact O-N 3.43Å; T25-R28 PolarHBondContact O-N 2.79Å; T25-S29 WeakPolarHBondContact O-CB 3.5Å; T25-S29 PolarHBondContact O-N 3.13Å; T25-S29 PolarHBondContact O-OG 3.16Å; T25-T43 PolarHBondContact OG1-OG1 3.2Å; T25-D66 VanDerWaalsContact CA-OD2 3.3Å; T25-D66 WeakPolarHBondContact CA-OD2 3.43Å; T25-D66 VanDerWaalsContact CB-OD2 3.26Å; T25-D66 WeakPolarHBondContact CB-OD2 3.44Å; T25-D66 PolarHBondContact OG1-OD2 2.79Å
26	N	97	Very high	95.7	Very high	11 Å²	11	30.6 Å²	30.6	6%	0.059	17%	0.17	C	C	.	.	H	α-helix	trans	-68	-36.2	177.3	-84	-35.2	0	0	0	112.1	G23 K24 R30 F36 N37 S40 A155	G23-N26 PolarHBondContact O-N 2.77Å; G23-N26 VanDerWaalsContact O-N 3.16Å; K24-N26 PolarHBondContact O-N 3.1Å; N26-R30 WeakPolarHBondContact O-CB 3.48Å; N26-R30 PolarHBondContact O-N 3.23Å; N26-F36 HydrophobicContact CB-CD2 3.87Å; N26-F36 HydrophobicContact CB-CE2 4Å; N26-N37 PolarHBondContact ND2-O 2.97Å; N26-N37 PolarHBondContact OD1-N 3.29Å; N26-N37 PolarHBondContact OD1-O 3.28Å; N26-S40 PolarHBondContact ND2-OG 3.32Å; N26-A155 HydrophobicContact CB-CB 3.85Å
27	L	98.2	Very high	95.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64	-45.1	172.5	-74.9	170.3	0	0	0	111.8	G23 K24 F31 V90 I122 N124 T153 A155 V161 F165	G23-L27 PolarHBondContact O-N 3.3Å; K24-L27 WeakPolarHBondContact O-CB 3.08Å; K24-L27 PolarHBondContact O-N 3Å; L27-F31 WeakPolarHBondContact O-CB 3.18Å; L27-F31 PolarHBondContact O-N 3.41Å; L27-V90 HydrophobicContact CD1-CG1 3.76Å; L27-V90 HydrophobicContact CD1-CG2 4.02Å; L27-I122 HydrophobicContact CD1-CG2 4.12Å; L27-N124 HydrophobicContact CD1-CB 4.15Å; L27-T153 WeakPolarHBondContact CD2-OG1 3.4Å; L27-A155 HydrophobicContact CD2-CB 4.01Å; L27-A155 HydrophobicContact CG-CB 4.29Å; L27-V161 HydrophobicContact CD2-CG1 4.31Å; L27-V161 HydrophobicContact CD2-CG2 3.9Å; L27-F165 HydrophobicContact CB-CE2 4.28Å; L27-F165 HydrophobicContact CB-CZ 4.43Å
28	R	96.8	Very high	95.1	Very high	28 Å²	28	41.7 Å²	41.7	11%	0.106	23%	0.229	C	C	.	.	H	α-helix	trans	-57.2	-57.5	174	-178.4	-162.4	64.5	179.6	10.8	110.4	L16 K24 T25 R30 F31 T32 D47 A49 I64	L16-R28 HydrophobicContact CD1-CB 3.8Å; K24-R28 PolarHBondContact O-N 3.28Å; T25-R28 PolarHBondContact O-N 2.79Å; R28-R30 VanDerWaalsContact C-N 3.3Å; R28-R30 PolarHBondContact O-N 3.25Å; R28-F31 PolarHBondContact O-N 3.48Å; R28-F31 VanDerWaalsContact O-N 3.16Å; R28-T32 HydrophobicContact CG-CG2 4.43Å; R28-T32 WeakPolarHBondContact O-CG2 3.22Å; R28-T32 PolarHBondContact O-N 3.5Å; R28-T32 PolarHBondContact O-OG1 2.98Å; R28-T32 VanDerWaalsContact O-OG1 3.13Å; R28-D47 IonicContact CZ-OD2 2.77Å; R28-D47 VanDerWaalsContact NH1-CG 3.3Å; R28-D47 PolarHBondContact NH1-O 2.87Å; R28-D47 IonicContact NH1-OD2 3.99Å; R28-D47 PolarHBondContact NH1-OD2 3.1Å; R28-D47 IonicContact NH2-OD2 2.79Å; R28-D47 PolarHBondContact NH2-OD2 2.75Å; R28-A49 HydrophobicContact CG-CB 4.13Å; R28-I64 HydrophobicContact CB-CG2 4.24Å; R28-I64 HydrophobicContact CG-CB 4.18Å; R28-I64 HydrophobicContact CG-CG2 3.85Å
29	S	95.9	Very high	94.6	Very high	18 Å²	18	49.6 Å²	49.6	13%	0.126	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-38.3	-176	-64	0	0	0	0	112	T25 T32 N33 D34 E35	T25-S29 WeakPolarHBondContact O-CB 3.5Å; T25-S29 PolarHBondContact O-N 3.13Å; T25-S29 PolarHBondContact O-OG 3.16Å; S29-T32 PolarHBondContact O-N 3.27Å; S29-N33 CarbonylContact O-C 3.57Å; S29-N33 WeakPolarHBondContact O-CA 3.21Å; S29-N33 WeakPolarHBondContact O-CB 3.49Å; S29-N33 PolarHBondContact O-N 2.91Å; S29-D34 PolarHBondContact O-N 3.48Å; S29-E35 CarbonylContact C-O 3.58Å; S29-E35 PolarHBondContact O-N 3.39Å
30	R	97.6	Very high	94	Very high	41 Å²	41	51 Å²	51	16%	0.155	28%	0.278	C	S	.	.	H	α-helix	trans	-64.2	-44.4	175.2	-179	61.6	76.8	-178.6	4.6	111.3	N26 R28 D34 E35 A155 L156 S158 V161	N26-R30 WeakPolarHBondContact O-CB 3.48Å; N26-R30 PolarHBondContact O-N 3.23Å; R28-R30 VanDerWaalsContact C-N 3.3Å; R28-R30 PolarHBondContact O-N 3.25Å; R30-D34 VanDerWaalsContact CD-OD1 3.23Å; R30-D34 WeakPolarHBondContact CD-OD1 3.45Å; R30-D34 IonicContact CZ-OD1 3.32Å; R30-D34 IonicContact NE-OD1 2.72Å; R30-D34 PolarHBondContact NH1-O 2.7Å; R30-D34 IonicContact NH1-OD1 3.72Å; R30-D34 PolarHBondContact NH1-OD1 2.97Å; R30-D34 VanDerWaalsContact O-CA 3.25Å; R30-D34 WeakPolarHBondContact O-CA 3.19Å; R30-D34 PolarHBondContact O-N 3.33Å; R30-D34 VanDerWaalsContact O-N 3.11Å; R30-E35 VanDerWaalsContact CA-O 3.29Å; R30-E35 WeakPolarHBondContact CA-O 3.31Å; R30-E35 PolarHBondContact N-O 2.86Å; R30-A155 PolarHBondContact NE-O 3.38Å; R30-A155 PolarHBondContact NH2-O 3.31Å; R30-L156 PolarHBondContact NH2-O 3.37Å; R30-L156 VanDerWaalsContact NH2-O 3.12Å; R30-S158 VanDerWaalsContact CD-OG 3.3Å; R30-S158 WeakPolarHBondContact CD-OG 3.4Å; R30-V161 HydrophobicContact CB-CG1 4.15Å; R30-V161 HydrophobicContact CG-CB 4.16Å; R30-V161 HydrophobicContact CG-CG1 3.91Å; R30-V161 HydrophobicContact CG-CG2 4.08Å
31	F	98.1	Very high	93.5	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.018	31%	0.307	C	S	.	.	H	α-helix	trans	-67	-43.6	177.9	177.8	-114.3	0	0	0	112.6	L27 R28 K51 V53 I64 V161 F165 I169	L27-F31 WeakPolarHBondContact O-CB 3.18Å; L27-F31 PolarHBondContact O-N 3.41Å; R28-F31 PolarHBondContact O-N 3.48Å; R28-F31 VanDerWaalsContact O-N 3.16Å; F31-K51 HydrophobicContact CD1-CD 4.01Å; F31-K51 HydrophobicContact CD2-CD 4.31Å; F31-K51 HydrophobicContact CE1-CB 4.05Å; F31-K51 HydrophobicContact CE1-CD 3.59Å; F31-K51 HydrophobicContact CE1-CG 4.4Å; F31-K51 HydrophobicContact CE2-CD 3.92Å; F31-K51 HydrophobicContact CG-CD 4.37Å; F31-K51 HydrophobicContact CZ-CD 3.55Å; F31-K51 WeakPolarHBondContact O-CD 3.38Å; F31-K51 WeakPolarHBondContact O-CE 3.23Å; F31-K51 PolarHBondContact O-NZ 2.99Å; F31-V53 HydrophobicContact CZ-CG2 4.21Å; F31-I64 HydrophobicContact CD1-CG1 4.12Å; F31-I64 HydrophobicContact CE1-CD1 4.31Å; F31-I64 HydrophobicContact CE1-CG1 4.23Å; F31-V161 HydrophobicContact CB-CG1 4.03Å; F31-F165 HydrophobicContact CB-CD1 4.32Å; F31-F165 HydrophobicContact CB-CD2 4Å; F31-F165 HydrophobicContact CB-CE1 4.39Å; F31-F165 HydrophobicContact CB-CE2 4.07Å; F31-F165 HydrophobicContact CB-CG 4.11Å; F31-F165 HydrophobicContact CB-CZ 4.26Å; F31-F165 HydrophobicContact CD1-CB 4.07Å; F31-F165 AromaticContact CD1-CD1 3.49Å; F31-F165 HydrophobicContact CD1-CD1 3.49Å; F31-F165 VanDerWaalsContact CD1-CD1 3.49Å; F31-F165 AromaticContact CD1-CE1 3.99Å; F31-F165 HydrophobicContact CD1-CE1 3.99Å; F31-F165 AromaticContact CD1-CG 3.78Å; F31-F165 HydrophobicContact CD1-CG 3.78Å; F31-F165 HydrophobicContact CD2-CB 3.49Å; F31-F165 VanDerWaalsContact CD2-CB 3.49Å; F31-F165 HydrophobicContact CD2-CD1 4.34Å; F31-F165 HydrophobicContact CD2-CD2 4.17Å; F31-F165 AromaticContact CD2-CG 3.76Å; F31-F165 HydrophobicContact CD2-CG 3.76Å; F31-F165 HydrophobicContact CE1-CB 3.93Å; F31-F165 AromaticContact CE1-CD1 3.76Å; F31-F165 HydrophobicContact CE1-CD1 3.76Å; F31-F165 HydrophobicContact CE1-CG 4.08Å; F31-F165 HydrophobicContact CE2-CB 3.34Å; F31-F165 HydrophobicContact CE2-CG 4.07Å; F31-F165 HydrophobicContact CG-CB 3.85Å; F31-F165 AromaticContact CG-CD1 3.79Å; F31-F165 HydrophobicContact CG-CD1 3.79Å; F31-F165 AromaticContact CG-CD2 3.98Å; F31-F165 HydrophobicContact CG-CD2 3.98Å; F31-F165 HydrophobicContact CG-CE1 4.29Å; F31-F165 HydrophobicContact CG-CE2 4.45Å; F31-F165 AromaticContact CG-CG 3.6Å; F31-F165 HydrophobicContact CG-CG 3.6Å; F31-F165 HydrophobicContact CZ-CB 3.56Å; F31-F165 HydrophobicContact CZ-CD1 4.3Å; F31-F165 HydrophobicContact CZ-CG 4.2Å; F31-I169 HydrophobicContact CE1-CD1 4.27Å; F31-I169 HydrophobicContact CZ-CD1 3.87Å
32	T	96	Very high	93	Very high	24 Å²	24	59.6 Å²	59.6	15%	0.147	31%	0.307	C	S	.	.	H	α-helix	trans	-85.5	-36.5	-172.1	62.5	0	0	0	0	113.9	R28 S29 A49 K51 I64	R28-T32 HydrophobicContact CG-CG2 4.43Å; R28-T32 WeakPolarHBondContact O-CG2 3.22Å; R28-T32 PolarHBondContact O-N 3.5Å; R28-T32 PolarHBondContact O-OG1 2.98Å; R28-T32 VanDerWaalsContact O-OG1 3.13Å; S29-T32 PolarHBondContact O-N 3.27Å; T32-A49 HydrophobicContact CG2-CB 3.7Å; T32-K51 HydrophobicContact CG2-CB 4.34Å; T32-I64 HydrophobicContact CG2-CG1 4.36Å
33	N	94.9	Very high	92.1	Very high	91 Å²	91	61 Å²	61	49%	0.487	32%	0.315	S	S	.	.	H	α-helix	trans	-124	-3.8	-169.6	-53.6	-8.3	0	0	0	113.3	S29 E35	S29-N33 CarbonylContact O-C 3.57Å; S29-N33 WeakPolarHBondContact O-CA 3.21Å; S29-N33 WeakPolarHBondContact O-CB 3.49Å; S29-N33 PolarHBondContact O-N 2.91Å; N33-E35 VanDerWaalsContact C-N 3.26Å; N33-E35 HydrophobicContact CB-CB 4.17Å; N33-E35 HydrophobicContact CB-CG 3.75Å; N33-E35 WeakPolarHBondContact CB-OE2 3.36Å; N33-E35 PolarHBondContact ND2-OE2 3.07Å; N33-E35 PolarHBondContact O-N 3.43Å
34	D	95.6	Very high	91	Very high	107 Å²	107	66.6 Å²	66.6	57%	0.572	34%	0.341	S	S	*	.	S	Bend	trans	56.7	37.9	-168.2	-164.4	24.2	0	0	0	113.5	S29 R30	S29-D34 PolarHBondContact O-N 3.48Å; R30-D34 VanDerWaalsContact CD-OD1 3.23Å; R30-D34 WeakPolarHBondContact CD-OD1 3.45Å; R30-D34 IonicContact CZ-OD1 3.32Å; R30-D34 IonicContact NE-OD1 2.72Å; R30-D34 PolarHBondContact NH1-O 2.7Å; R30-D34 IonicContact NH1-OD1 3.72Å; R30-D34 PolarHBondContact NH1-OD1 2.97Å; R30-D34 VanDerWaalsContact O-CA 3.25Å; R30-D34 WeakPolarHBondContact O-CA 3.19Å; R30-D34 PolarHBondContact O-N 3.33Å; R30-D34 VanDerWaalsContact O-N 3.11Å
35	E	94.8	Very high	90	Very high	106 Å²	106	67 Å²	67	50%	0.495	35%	0.348	S	S	.	.			trans	-113.4	146.1	-177	-71.2	171.4	163.8	0	0	112.4	S29 R30 N33	S29-E35 CarbonylContact C-O 3.58Å; S29-E35 PolarHBondContact O-N 3.39Å; R30-E35 VanDerWaalsContact CA-O 3.29Å; R30-E35 WeakPolarHBondContact CA-O 3.31Å; R30-E35 PolarHBondContact N-O 2.86Å; N33-E35 VanDerWaalsContact C-N 3.26Å; N33-E35 HydrophobicContact CB-CB 4.17Å; N33-E35 HydrophobicContact CB-CG 3.75Å; N33-E35 WeakPolarHBondContact CB-OE2 3.36Å; N33-E35 PolarHBondContact ND2-OE2 3.07Å; N33-E35 PolarHBondContact O-N 3.43Å
36	F	94.5	Very high	89.3	Confident	66 Å²	66	67 Å²	67	29%	0.289	35%	0.348	S	S	.	.			trans	-136.2	136.7	170.8	176.2	-90.9	0	0	0	110.6	N26 L38 A155 L156	N26-F36 HydrophobicContact CB-CD2 3.87Å; N26-F36 HydrophobicContact CB-CE2 4Å; F36-L38 HydrophobicContact CE1-CB 3.94Å; F36-L38 HydrophobicContact CE1-CD1 4.08Å; F36-L38 HydrophobicContact CZ-CD1 4.19Å; F36-A155 HydrophobicContact CD2-CB 3.98Å; F36-A155 WeakPolarHBondContact CD2-O 3.31Å; F36-A155 HydrophobicContact CE2-CB 4.18Å; F36-L156 HydrophobicContact CD1-CD1 3.79Å; F36-L156 HydrophobicContact CD2-CB 4.4Å; F36-L156 HydrophobicContact CE1-CB 4.38Å; F36-L156 HydrophobicContact CE1-CD1 3.49Å; F36-L156 VanDerWaalsContact CE1-CD1 3.49Å; F36-L156 HydrophobicContact CE1-CG 4.49Å; F36-L156 HydrophobicContact CE2-CB 3.94Å; F36-L156 HydrophobicContact CG-CD1 4.45Å; F36-L156 HydrophobicContact CZ-CB 3.94Å; F36-L156 HydrophobicContact CZ-CD1 3.9Å; F36-L156 HydrophobicContact CZ-CG 4.45Å
37	N	91.7	Very high	88.8	Confident	88 Å²	88	70.3 Å²	70.3	47%	0.471	37%	0.366	S	S	.	.			trans	-124.8	113.4	175.2	-174.7	-4.8	0	0	0	110.3	N26 E39 S40	N26-N37 PolarHBondContact ND2-O 2.97Å; N26-N37 PolarHBondContact OD1-N 3.29Å; N26-N37 PolarHBondContact OD1-O 3.28Å; N37-E39 VanDerWaalsContact C-N 3.26Å; N37-E39 PolarHBondContact O-N 3.25Å; N37-E39 WeakPolarHBondContact OD1-CA 3.47Å; N37-E39 PolarHBondContact OD1-N 3.47Å; N37-S40 WeakPolarHBondContact O-CB 3.34Å; N37-S40 PolarHBondContact O-N 3.26Å
38	L	87.6	Confident	88.4	Confident	144 Å²	144	74.7 Å²	74.7	75%	0.754	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-33.1	176.8	-170.7	66	0	0	0	112	F36 S40	F36-L38 HydrophobicContact CE1-CB 3.94Å; F36-L38 HydrophobicContact CE1-CD1 4.08Å; F36-L38 HydrophobicContact CZ-CD1 4.19Å; L38-S40 PolarHBondContact O-N 3.31Å
39	E	83.7	Confident	88.3	Confident	166 Å²	166	74.3 Å²	74.3	78%	0.776	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	21.1	179.4	-57.2	-171.3	169.7	0	0	112.7	N37 K41	N37-E39 VanDerWaalsContact C-N 3.26Å; N37-E39 PolarHBondContact O-N 3.25Å; N37-E39 WeakPolarHBondContact OD1-CA 3.47Å; N37-E39 PolarHBondContact OD1-N 3.47Å; E39-K41 PolarHBondContact O-N 3.22Å
40	S	81.4	Confident	88.2	Confident	50 Å²	50	76.5 Å²	76.5	35%	0.35	40%	0.4	S	S	.	.			trans	-56.4	112.8	177.7	67.3	0	0	0	0	110.5	N26 N37 L38	N26-S40 PolarHBondContact ND2-OG 3.32Å; N37-S40 WeakPolarHBondContact O-CB 3.34Å; N37-S40 PolarHBondContact O-N 3.26Å; L38-S40 PolarHBondContact O-N 3.31Å
41	K	82	Confident	88.1	Confident	190 Å²	190	77.2 Å²	77.2	83%	0.826	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-74.3	163.1	175.6	-64.2	-177.2	-178.3	176.6	0	110.4	E39 T43	E39-K41 PolarHBondContact O-N 3.22Å; K41-T43 PolarHBondContact O-N 3.49Å
42	S	84.2	Confident	88	Confident	65 Å²	65	82 Å²	82	46%	0.455	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-58.1	125.5	172.6	-63.5	0	0	0	0	110.8	S20 I44	S20-S42 PolarHBondContact OG-OG 2.95Å; S42-I44 PolarHBondContact O-N 3.42Å
43	T	77.2	Confident	87.9	Confident	30 Å²	30	81.6 Å²	81.6	18%	0.184	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-60.2	125.2	174.9	-47.3	0	0	0	0	110.5	T25 K41 D66 A68	T25-T43 PolarHBondContact OG1-OG1 3.2Å; K41-T43 PolarHBondContact O-N 3.49Å; T43-D66 PolarHBondContact OG1-OD2 2.98Å; T43-A68 WeakPolarHBondContact O-CB 3.44Å
44	I	72.7	Confident	87.8	Confident	127 Å²	127	85 Å²	85	65%	0.651	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-101.9	121.9	171.7	-59.9	174.9	0	0	0	106.6	S42	S42-I44 PolarHBondContact O-N 3.42Å
45	G	74.1	Confident	87.6	Confident	19 Å²	19	80.3 Å²	80.3	20%	0.196	41%	0.413	C	S	.	.	S	Bend	trans	78.7	-147.9	-174.9	0	0	0	0	0	112.9	A68	G45-A68 WeakPolarHBondContact O-CB 3.3Å; G45-A68 PolarHBondContact O-N 3.15Å
46	V	81.5	Confident	87.4	Confident	31 Å²	31	80.4 Å²	80.4	19%	0.188	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	134.6	-176.1	-179	0	0	0	0	108.8	W65 D66 T67 I76 Y80	V46-W65 HydrophobicContact CG1-CE3 3.66Å; V46-W65 HydrophobicContact CG1-CZ3 4.3Å; V46-D66 WeakPolarHBondContact CA-O 3.47Å; V46-D66 WeakPolarHBondContact CG1-O 3.45Å; V46-T67 HydrophobicContact CG1-CG2 4.36Å; V46-T67 HydrophobicContact CG2-CG2 4.43Å; V46-I76 HydrophobicContact CG2-CG2 4.41Å; V46-Y80 HydrophobicContact CB-CD1 4.42Å; V46-Y80 HydrophobicContact CB-CD2 3.99Å; V46-Y80 HydrophobicContact CB-CE1 4.13Å; V46-Y80 HydrophobicContact CB-CE2 3.68Å; V46-Y80 HydrophobicContact CB-CG 4.34Å; V46-Y80 HydrophobicContact CG1-CD1 3.93Å; V46-Y80 HydrophobicContact CG1-CD2 4.09Å; V46-Y80 HydrophobicContact CG1-CE1 4.03Å; V46-Y80 HydrophobicContact CG1-CE2 4.19Å; V46-Y80 HydrophobicContact CG1-CG 3.95Å; V46-Y80 HydrophobicContact CG2-CD2 3.41Å; V46-Y80 VanDerWaalsContact CG2-CD2 3.41Å; V46-Y80 HydrophobicContact CG2-CE2 3.31Å; V46-Y80 HydrophobicContact CG2-CG 4.12Å
47	D	86.7	Confident	87.1	Confident	81 Å²	81	79.9 Å²	79.9	43%	0.433	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.9	178.9	178.9	32.7	0	0	0	109.2	R28 D66	R28-D47 IonicContact CZ-OD2 2.77Å; R28-D47 VanDerWaalsContact NH1-CG 3.3Å; R28-D47 PolarHBondContact NH1-O 2.87Å; R28-D47 IonicContact NH1-OD2 3.99Å; R28-D47 PolarHBondContact NH1-OD2 3.1Å; R28-D47 IonicContact NH2-OD2 2.79Å; R28-D47 PolarHBondContact NH2-OD2 2.75Å; D47-D66 PolarHBondContact N-O 3.11Å; D47-D66 PolarHBondContact O-N 3.31Å
48	F	90.6	Very high	87	Confident	93 Å²	93	80.9 Å²	80.9	41%	0.408	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.6	-175.9	76.3	-88.4	0	0	0	112.6	Q63 I64 W65	F48-Q63 HydrophobicContact CD2-CG 4.48Å; F48-I64 VanDerWaalsContact CA-O 3.22Å; F48-I64 WeakPolarHBondContact CA-O 3.44Å; F48-W65 HydrophobicContact CB-CD2 3.74Å; F48-W65 HydrophobicContact CB-CE3 4.03Å; F48-W65 HydrophobicContact CB-CG 3.96Å; F48-W65 HydrophobicContact CB-CZ2 4.49Å; F48-W65 HydrophobicContact CB-CZ3 4.49Å; F48-W65 HydrophobicContact CD1-CE3 4.34Å; F48-W65 AromaticContact CD1-CH2 3.85Å; F48-W65 HydrophobicContact CD1-CH2 3.85Å; F48-W65 HydrophobicContact CD1-CZ2 4.09Å; F48-W65 AromaticContact CD1-CZ3 3.96Å; F48-W65 HydrophobicContact CD1-CZ3 3.96Å; F48-W65 HydrophobicContact CE1-CH2 4.28Å; F48-W65 HydrophobicContact CG-CD2 4.33Å; F48-W65 HydrophobicContact CG-CH2 4.39Å; F48-W65 HydrophobicContact CG-CZ2 4.21Å
49	A	93.9	Very high	87.2	Confident	19 Å²	19	77.8 Å²	77.8	16%	0.157	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	150.9	172.8	0	0	0	0	0	109.8	R28 T32 I64	R28-A49 HydrophobicContact CG-CB 4.13Å; T32-A49 HydrophobicContact CG2-CB 3.7Å; A49-I64 PolarHBondContact N-O 2.81Å; A49-I64 PolarHBondContact O-N 2.82Å
50	T	94.6	Very high	87.7	Confident	65 Å²	65	69.9 Å²	69.9	40%	0.399	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132.5	-179.4	-61.3	0	0	0	0	110.4	K61 A62	T50-K61 HydrophobicContact CG2-CD 3.73Å; T50-K61 HydrophobicContact CG2-CG 3.27Å; T50-A62 CarbonylContact C-O 3.6Å; T50-A62 VanDerWaalsContact CA-O 3.29Å; T50-A62 WeakPolarHBondContact CA-O 3.28Å
51	K	95.1	Very high	88.4	Confident	56 Å²	56	72.1 Å²	72.1	24%	0.243	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132	170.9	-165.9	177.9	-171.1	177.4	0	110.3	F31 T32 V53 A62	F31-K51 HydrophobicContact CD1-CD 4.01Å; F31-K51 HydrophobicContact CD2-CD 4.31Å; F31-K51 HydrophobicContact CE1-CB 4.05Å; F31-K51 HydrophobicContact CE1-CD 3.59Å; F31-K51 HydrophobicContact CE1-CG 4.4Å; F31-K51 HydrophobicContact CE2-CD 3.92Å; F31-K51 HydrophobicContact CG-CD 4.37Å; F31-K51 HydrophobicContact CZ-CD 3.55Å; F31-K51 WeakPolarHBondContact O-CD 3.38Å; F31-K51 WeakPolarHBondContact O-CE 3.23Å; F31-K51 PolarHBondContact O-NZ 2.99Å; T32-K51 HydrophobicContact CG2-CB 4.34Å; K51-V53 HydrophobicContact CG-CG2 4.46Å; K51-A62 PolarHBondContact N-O 3.24Å; K51-A62 PolarHBondContact O-N 2.91Å
52	N	94.6	Very high	89	Confident	104 Å²	104	63 Å²	63	56%	0.556	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	125	171.1	-67.5	-28.7	0	0	0	108.9	V59 V60	N52-V59 HydrophobicContact CB-CG1 3.99Å; N52-V60 CarbonylContact C-O 3.58Å; N52-V60 WeakPolarHBondContact CA-O 3.38Å
53	V	94.8	Very high	89.6	Confident	16 Å²	16	61.8 Å²	61.8	10%	0.097	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.4	178.4	-177.3	0	0	0	0	108.6	F31 K51 I55 V60 I169	F31-V53 HydrophobicContact CZ-CG2 4.21Å; K51-V53 HydrophobicContact CG-CG2 4.46Å; V53-I55 HydrophobicContact CG1-CD1 4.39Å; V53-I55 HydrophobicContact CG1-CG1 4.14Å; V53-V60 PolarHBondContact N-O 2.9Å; V53-V60 PolarHBondContact O-N 2.79Å; V53-I169 HydrophobicContact CB-CD1 4.45Å; V53-I169 HydrophobicContact CB-CG2 4.5Å; V53-I169 HydrophobicContact CG2-CD1 3.77Å
54	K	93	Very high	90.5	Very high	162 Å²	162	60.3 Å²	60.3	70%	0.704	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.3	179.2	-168.4	177.2	179.5	-179.3	0	109.9	K58	K54-K58 CarbonylContact C-O 3.58Å; K54-K58 VanDerWaalsContact CA-O 3.3Å; K54-K58 WeakPolarHBondContact CA-O 3.46Å
55	I	92	Very high	91.6	Very high	9 Å²	9	56.1 Å²	56.1	5%	0.046	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.2	178.3	-57.9	173.6	0	0	0	107.5	V53 G57 K58 V60 I169 R170 Y173	V53-I55 HydrophobicContact CG1-CD1 4.39Å; V53-I55 HydrophobicContact CG1-CG1 4.14Å; I55-G57 PolarHBondContact O-N 3.2Å; I55-G57 VanDerWaalsContact O-N 3.09Å; I55-K58 PolarHBondContact N-O 2.85Å; I55-K58 WeakPolarHBondContact O-CA 3.5Å; I55-K58 WeakPolarHBondContact O-CB 3.42Å; I55-K58 PolarHBondContact O-N 2.84Å; I55-V60 HydrophobicContact CD1-CG2 4.28Å; I55-I169 HydrophobicContact CD1-CB 4.37Å; I55-I169 HydrophobicContact CD1-CG2 3.56Å; I55-R170 HydrophobicContact CD1-CB 4.49Å; I55-R170 HydrophobicContact CD1-CG 3.81Å; I55-R170 HydrophobicContact CG1-CG 4.19Å; I55-R170 HydrophobicContact CG2-CG 4.32Å; I55-Y173 HydrophobicContact CG2-CD1 3.62Å; I55-Y173 HydrophobicContact CG2-CE1 3.9Å; I55-Y173 HydrophobicContact CG2-CG 4.05Å
56	D	90.5	Very high	92.4	Very high	108 Å²	108	55.3 Å²	55.3	58%	0.578	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	40.5	178.7	-59.3	-18.4	0	0	0	113.9	K58 Y173 Y174	D56-K58 PolarHBondContact O-N 3.11Å; D56-Y173 HydrophobicContact CB-CE1 4.42Å; D56-Y174 PolarHBondContact OD1-OH 2.58Å; D56-Y174 WeakPolarHBondContact OD2-CE1 3.25Å; D56-Y174 PolarHBondContact OD2-OH 3Å
57	G	87.8	Confident	92.5	Very high	55 Å²	55	53.8 Å²	53.8	57%	0.567	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	-7.8	-178.6	0	0	0	0	0	115.2	I55	I55-G57 PolarHBondContact O-N 3.2Å; I55-G57 VanDerWaalsContact O-N 3.09Å
58	K	89.4	Confident	92.3	Very high	108 Å²	108	50 Å²	50	47%	0.47	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	147.4	174.1	-61.2	-62.7	-174.9	177.8	0	110.9	K54 I55 D56 Y173	K54-K58 CarbonylContact C-O 3.58Å; K54-K58 VanDerWaalsContact CA-O 3.3Å; K54-K58 WeakPolarHBondContact CA-O 3.46Å; I55-K58 PolarHBondContact N-O 2.85Å; I55-K58 WeakPolarHBondContact O-CA 3.5Å; I55-K58 WeakPolarHBondContact O-CB 3.42Å; I55-K58 PolarHBondContact O-N 2.84Å; D56-K58 PolarHBondContact O-N 3.11Å; K58-Y173 HydrophobicContact CB-CE2 4.46Å
59	V	91.6	Very high	91.3	Very high	79 Å²	79	46 Å²	46	48%	0.479	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	118.6	172.4	-179.2	0	0	0	0	108.4	N52	N52-V59 HydrophobicContact CB-CG1 3.99Å
60	V	93.8	Very high	90.5	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.8	170.9	179.2	0	0	0	0	107.7	L10 F12 N52 V53 I55 I169 Y173	L10-V60 HydrophobicContact CB-CG1 4.45Å; L10-V60 HydrophobicContact CB-CG2 4.23Å; L10-V60 HydrophobicContact CD1-CG2 4.22Å; L10-V60 CarbonylContact O-C 3.54Å; F12-V60 HydrophobicContact CB-CG1 4.25Å; F12-V60 HydrophobicContact CD1-CG1 4.18Å; F12-V60 HydrophobicContact CD2-CG1 3.36Å; F12-V60 HydrophobicContact CE1-CG1 4.34Å; F12-V60 HydrophobicContact CE2-CG1 3.55Å; F12-V60 HydrophobicContact CE2-CG2 4.2Å; F12-V60 HydrophobicContact CG-CG1 3.67Å; F12-V60 HydrophobicContact CZ-CG1 4.04Å; F12-V60 HydrophobicContact CZ-CG2 4.35Å; N52-V60 CarbonylContact C-O 3.58Å; N52-V60 WeakPolarHBondContact CA-O 3.38Å; V53-V60 PolarHBondContact N-O 2.9Å; V53-V60 PolarHBondContact O-N 2.79Å; I55-V60 HydrophobicContact CD1-CG2 4.28Å; V60-I169 HydrophobicContact CB-CG2 4.41Å; V60-I169 HydrophobicContact CG1-CG2 3.96Å; V60-Y173 HydrophobicContact CG2-CD2 4.08Å
61	K	95.6	Very high	89.2	Confident	97 Å²	97	50.2 Å²	50.2	42%	0.422	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	103.5	170.4	-175.7	176.5	-78	-179.4	0	108.1	L10 L11 F12 T50	L10-K61 PolarHBondContact O-N 3.09Å; L11-K61 WeakPolarHBondContact CA-O 3.45Å; L11-K61 HydrophobicContact CD1-CB 4Å; L11-K61 HydrophobicContact CD1-CD 3.76Å; L11-K61 HydrophobicContact CD1-CG 3.78Å; F12-K61 PolarHBondContact N-O 3Å; T50-K61 HydrophobicContact CG2-CD 3.73Å; T50-K61 HydrophobicContact CG2-CG 3.27Å
62	A	96.1	Very high	88.3	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	121.8	175.4	0	0	0	0	0	109.8	F12 T50 K51 I64 I169	F12-A62 CarbonylContact O-C 3.46Å; F12-A62 WeakPolarHBondContact O-CA 3.24Å; T50-A62 CarbonylContact C-O 3.6Å; T50-A62 VanDerWaalsContact CA-O 3.29Å; T50-A62 WeakPolarHBondContact CA-O 3.28Å; K51-A62 PolarHBondContact N-O 3.24Å; K51-A62 PolarHBondContact O-N 2.91Å; A62-I64 HydrophobicContact CB-CD1 4.19Å; A62-I169 HydrophobicContact CB-CD1 3.7Å; A62-I169 HydrophobicContact CB-CG1 4.22Å
63	Q	96.2	Very high	87.5	Confident	38 Å²	38	50.3 Å²	50.3	18%	0.178	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	115.3	168	-72.6	-175.7	0.5	0	0	109.2	L11 F12 I14 F48	L11-Q63 HydrophobicContact CD1-CG 3.86Å; F12-Q63 PolarHBondContact O-N 3.33Å; I14-Q63 PolarHBondContact N-O 3.03Å; F48-Q63 HydrophobicContact CD2-CG 4.48Å
64	I	96.5	Very high	86.4	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	109	179.3	-48.9	-52.2	0	0	0	108.4	I14 L16 R28 F31 T32 F48 A49 A62 F165	I14-I64 HydrophobicContact CB-CD1 3.92Å; I14-I64 HydrophobicContact CD1-CD1 3.99Å; I14-I64 HydrophobicContact CG1-CD1 4.41Å; I14-I64 HydrophobicContact CG2-CD1 4.4Å; I14-I64 WeakPolarHBondContact O-CA 3.42Å; L16-I64 HydrophobicContact CD1-CG2 3.91Å; L16-I64 HydrophobicContact CD2-CG2 3.94Å; L16-I64 HydrophobicContact CG-CG2 3.84Å; R28-I64 HydrophobicContact CB-CG2 4.24Å; R28-I64 HydrophobicContact CG-CB 4.18Å; R28-I64 HydrophobicContact CG-CG2 3.85Å; F31-I64 HydrophobicContact CD1-CG1 4.12Å; F31-I64 HydrophobicContact CE1-CD1 4.31Å; F31-I64 HydrophobicContact CE1-CG1 4.23Å; T32-I64 HydrophobicContact CG2-CG1 4.36Å; F48-I64 VanDerWaalsContact CA-O 3.22Å; F48-I64 WeakPolarHBondContact CA-O 3.44Å; A49-I64 PolarHBondContact N-O 2.81Å; A49-I64 PolarHBondContact O-N 2.82Å; A62-I64 HydrophobicContact CB-CD1 4.19Å; I64-F165 HydrophobicContact CD1-CD1 3.91Å; I64-F165 HydrophobicContact CD1-CE1 3.94Å; I64-F165 HydrophobicContact CG1-CD1 4.36Å; I64-F165 HydrophobicContact CG1-CE1 4.09Å; I64-F165 HydrophobicContact CG2-CE1 3.71Å; I64-F165 HydrophobicContact CG2-CZ 4.39Å
65	W	94.4	Very high	85.4	Confident	39 Å²	39	48.2 Å²	48.2	15%	0.148	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	107.9	-178.8	-68.2	73.2	0	0	0	109.4	I14 V15 L16 V46 F48 Y80	I14-W65 PolarHBondContact O-N 3.07Å; V15-W65 HydrophobicContact CG1-CB 4.08Å; L16-W65 PolarHBondContact N-O 3.04Å; V46-W65 HydrophobicContact CG1-CE3 3.66Å; V46-W65 HydrophobicContact CG1-CZ3 4.3Å; F48-W65 HydrophobicContact CB-CD2 3.74Å; F48-W65 HydrophobicContact CB-CE3 4.03Å; F48-W65 HydrophobicContact CB-CG 3.96Å; F48-W65 HydrophobicContact CB-CZ2 4.49Å; F48-W65 HydrophobicContact CB-CZ3 4.49Å; F48-W65 HydrophobicContact CD1-CE3 4.34Å; F48-W65 AromaticContact CD1-CH2 3.85Å; F48-W65 HydrophobicContact CD1-CH2 3.85Å; F48-W65 HydrophobicContact CD1-CZ2 4.09Å; F48-W65 AromaticContact CD1-CZ3 3.96Å; F48-W65 HydrophobicContact CD1-CZ3 3.96Å; F48-W65 HydrophobicContact CE1-CH2 4.28Å; F48-W65 HydrophobicContact CG-CD2 4.33Å; F48-W65 HydrophobicContact CG-CH2 4.39Å; F48-W65 HydrophobicContact CG-CZ2 4.21Å; W65-Y80 AromaticContact CE3-CD1 3.52Å; W65-Y80 HydrophobicContact CE3-CD1 3.52Å; W65-Y80 AromaticContact CE3-CE1 3.96Å; W65-Y80 HydrophobicContact CE3-CE1 3.96Å; W65-Y80 HydrophobicContact CE3-CG 4.41Å; W65-Y80 HydrophobicContact CH2-CD1 4.31Å; W65-Y80 HydrophobicContact CH2-CE1 4.36Å; W65-Y80 AromaticContact CZ3-CD1 3.4Å; W65-Y80 HydrophobicContact CZ3-CD1 3.4Å; W65-Y80 AromaticContact CZ3-CE1 3.44Å; W65-Y80 HydrophobicContact CZ3-CE1 3.44Å; W65-Y80 VanDerWaalsContact CZ3-CE1 3.44Å
66	D	91	Very high	84.5	Confident	1 Å²	1	50 Å²	50	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	121.5	172.4	-178.4	35.8	0	0	0	109.5	K24 T25 T43 V46 D47	K24-D66 WeakPolarHBondContact CB-OD1 3.23Å; T25-D66 VanDerWaalsContact CA-OD2 3.3Å; T25-D66 WeakPolarHBondContact CA-OD2 3.43Å; T25-D66 VanDerWaalsContact CB-OD2 3.26Å; T25-D66 WeakPolarHBondContact CB-OD2 3.44Å; T25-D66 PolarHBondContact OG1-OD2 2.79Å; T43-D66 PolarHBondContact OG1-OD2 2.98Å; V46-D66 WeakPolarHBondContact CA-O 3.47Å; V46-D66 WeakPolarHBondContact CG1-O 3.45Å; D47-D66 PolarHBondContact N-O 3.11Å; D47-D66 PolarHBondContact O-N 3.31Å
67	T	84.6	Confident	83.8	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	151.8	-175.4	71.4	0	0	0	0	112.1	L16 K24 V46 G69 T77	L16-T67 PolarHBondContact O-OG1 3.07Å; K24-T67 WeakPolarHBondContact CE-O 3.1Å; V46-T67 HydrophobicContact CG1-CG2 4.36Å; V46-T67 HydrophobicContact CG2-CG2 4.43Å; T67-G69 PolarHBondContact O-N 3.22Å; T67-T77 HydrophobicContact CG2-CG2 4Å
68	A	81.3	Confident	83.3	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.008	21%	0.213	C	C	.	.			trans	-62.6	127	170.8	0	0	0	0	0	110.9	T43 G45 Y73 T77	T43-A68 WeakPolarHBondContact O-CB 3.44Å; G45-A68 WeakPolarHBondContact O-CB 3.3Å; G45-A68 PolarHBondContact O-N 3.15Å; A68-Y73 HydrophobicContact CB-CD2 3.86Å; A68-Y73 HydrophobicContact CB-CG 4.22Å; A68-T77 PolarHBondContact O-OG1 2.66Å
69	G	71.2	Confident	83	Confident	9 Å²	9	39.7 Å²	39.7	9%	0.093	20%	0.204	C	C	.	.			trans	-88.8	3.3	177.6	0	0	0	0	0	115	G18 S20 T67	G18-G69 WeakPolarHBondContact O-CA 3.34Å; S20-G69 PolarHBondContact N-O 2.96Å; S20-G69 VanDerWaalsContact N-O 3.16Å; T67-G69 PolarHBondContact O-N 3.22Å
70	Q	77	Confident	82.7	Confident	62 Å²	62	38.1 Å²	38.1	29%	0.29	19%	0.19	S	C	.	.	S	Bend	trans	-88.1	137.9	179	-62.8	-72.1	11.3	0	0	110.3	S20 R72 Y73	S20-Q70 PolarHBondContact OG-NE2 3.13Å; S20-Q70 VanDerWaalsContact OG-NE2 3.16Å; Q70-R72 VanDerWaalsContact C-N 3.29Å; Q70-R72 HydrophobicContact CB-CG 4.22Å; Q70-R72 PolarHBondContact O-N 3.31Å; Q70-Y73 HydrophobicContact CB-CD2 3.83Å; Q70-Y73 HydrophobicContact CB-CE2 4.23Å; Q70-Y73 HydrophobicContact CG-CD2 4.48Å; Q70-Y73 PolarHBondContact O-N 3.41Å; Q70-Y73 VanDerWaalsContact O-N 3.07Å
71	E	66.7	Low	82.5	Confident	111 Å²	111	38.1 Å²	38.1	52%	0.519	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-59.6	-37.1	-177.6	73.8	-57.5	136.2	0	0	113.3	Y73 R74	E71-Y73 PolarHBondContact O-N 3Å; E71-R74 VanDerWaalsContact O-CB 3.28Å; E71-R74 WeakPolarHBondContact O-CB 3.37Å; E71-R74 WeakPolarHBondContact O-CD 3.28Å; E71-R74 WeakPolarHBondContact O-CG 3.21Å; E71-R74 PolarHBondContact O-N 3.01Å
72	R	76.8	Confident	82.1	Confident	123 Å²	123	40.8 Å²	40.8	46%	0.464	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-60.6	-15.2	177.3	69.3	-176.7	-70.8	-179	-12.6	114.6	Q70	Q70-R72 VanDerWaalsContact C-N 3.29Å; Q70-R72 HydrophobicContact CB-CG 4.22Å; Q70-R72 PolarHBondContact O-N 3.31Å
73	Y	76.8	Confident	81.8	Confident	39 Å²	39	43 Å²	43	15%	0.153	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-105.8	6.9	177.7	-57.2	-53.6	0	0	0	113.4	A68 Q70 E71 A75 I76 T77	A68-Y73 HydrophobicContact CB-CD2 3.86Å; A68-Y73 HydrophobicContact CB-CG 4.22Å; Q70-Y73 HydrophobicContact CB-CD2 3.83Å; Q70-Y73 HydrophobicContact CB-CE2 4.23Å; Q70-Y73 HydrophobicContact CG-CD2 4.48Å; Q70-Y73 PolarHBondContact O-N 3.41Å; Q70-Y73 VanDerWaalsContact O-N 3.07Å; E71-Y73 PolarHBondContact O-N 3Å; Y73-A75 VanDerWaalsContact C-N 3.34Å; Y73-A75 PolarHBondContact O-N 2.89Å; Y73-I76 HydrophobicContact CD1-CD1 4.4Å; Y73-I76 WeakPolarHBondContact O-CA 3.29Å; Y73-I76 WeakPolarHBondContact O-CB 3.21Å; Y73-I76 PolarHBondContact O-N 3.09Å; Y73-T77 PolarHBondContact O-N 3.42Å; Y73-T77 PolarHBondContact O-OG1 2.85Å
74	R	72.2	Confident	81.6	Confident	51 Å²	51	41.2 Å²	41.2	19%	0.192	21%	0.212	C	C	.	.	H	α-helix	trans	-52.2	-44.4	-176.9	-84.2	167.2	173.6	-94.5	-22.6	114.7	E71 I76 T77 S78 K104 E108	E71-R74 VanDerWaalsContact O-CB 3.28Å; E71-R74 WeakPolarHBondContact O-CB 3.37Å; E71-R74 WeakPolarHBondContact O-CD 3.28Å; E71-R74 WeakPolarHBondContact O-CG 3.21Å; E71-R74 PolarHBondContact O-N 3.01Å; R74-I76 PolarHBondContact O-N 2.96Å; R74-T77 PolarHBondContact O-N 3.46Å; R74-T77 VanDerWaalsContact O-N 3.11Å; R74-S78 PolarHBondContact O-N 3.17Å; R74-S78 PolarHBondContact O-OG 2.95Å; R74-K104 VanDerWaalsContact NH2-CD 3.27Å; R74-E108 IonicContact CZ-OE2 3.23Å; R74-E108 VanDerWaalsContact CZ-OE2 3.23Å; R74-E108 IonicContact NE-OE2 3.97Å; R74-E108 IonicContact NH1-OE2 2.66Å; R74-E108 PolarHBondContact NH1-OE2 2.83Å; R74-E108 IonicContact NH2-OE2 3.76Å
75	A	72.9	Confident	81.6	Confident	83 Å²	83	42 Å²	42	69%	0.686	22%	0.217	S	C	*	.	H	α-helix	trans	-63.1	-30.1	179.7	0	0	0	0	0	112.9	Y73 S78	Y73-A75 VanDerWaalsContact C-N 3.34Å; Y73-A75 PolarHBondContact O-N 2.89Å; A75-S78 PolarHBondContact O-OG 2.81Å
76	I	72.8	Confident	81.7	Confident	47 Å²	47	40.1 Å²	40.1	24%	0.241	21%	0.209	C	C	.	.	H	α-helix	trans	-73.8	-47	173.7	-62.9	174.7	0	0	0	108.6	V46 Y73 R74 S78 A79 Y80 L195	V46-I76 HydrophobicContact CG2-CG2 4.41Å; Y73-I76 HydrophobicContact CD1-CD1 4.4Å; Y73-I76 WeakPolarHBondContact O-CA 3.29Å; Y73-I76 WeakPolarHBondContact O-CB 3.21Å; Y73-I76 PolarHBondContact O-N 3.09Å; R74-I76 PolarHBondContact O-N 2.96Å; I76-S78 PolarHBondContact O-N 3.39Å; I76-A79 PolarHBondContact O-N 2.83Å; I76-Y80 HydrophobicContact CG2-CE2 3.78Å; I76-Y80 WeakPolarHBondContact O-CD2 3.43Å; I76-Y80 VanDerWaalsContact O-CE2 3.25Å; I76-Y80 WeakPolarHBondContact O-CE2 3.33Å; I76-L195 HydrophobicContact CG1-CD1 3.95Å
77	T	76	Confident	82	Confident	1 Å²	1	40 Å²	40	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-60	-44.9	-178.8	-59	0	0	0	0	113	T67 A68 Y73 R74 A79 Y80 Y81	T67-T77 HydrophobicContact CG2-CG2 4Å; A68-T77 PolarHBondContact O-OG1 2.66Å; Y73-T77 PolarHBondContact O-N 3.42Å; Y73-T77 PolarHBondContact O-OG1 2.85Å; R74-T77 PolarHBondContact O-N 3.46Å; R74-T77 VanDerWaalsContact O-N 3.11Å; T77-A79 VanDerWaalsContact C-N 3.26Å; T77-A79 PolarHBondContact O-N 2.75Å; T77-Y80 PolarHBondContact O-N 3.37Å; T77-Y81 HydrophobicContact CG2-CE1 3.56Å; T77-Y81 VanDerWaalsContact CG2-OH 3.24Å; T77-Y81 WeakPolarHBondContact CG2-OH 3.37Å
78	S	77.5	Confident	82.7	Confident	18 Å²	18	40 Å²	40	13%	0.126	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-31.1	-176.9	61.9	0	0	0	0	113.2	R74 A75 I76 Y80 Y81	R74-S78 PolarHBondContact O-N 3.17Å; R74-S78 PolarHBondContact O-OG 2.95Å; A75-S78 PolarHBondContact O-OG 2.81Å; I76-S78 PolarHBondContact O-N 3.39Å; S78-Y80 PolarHBondContact O-N 3.47Å; S78-Y81 WeakPolarHBondContact O-CB 3.29Å; S78-Y81 PolarHBondContact O-N 2.82Å; S78-Y81 VanDerWaalsContact O-N 3.16Å
79	A	82.7	Confident	83.5	Confident	34 Å²	34	40 Å²	40	28%	0.281	21%	0.209	S	C	.	.	H	α-helix	trans	-60.5	-29.6	174.2	0	0	0	0	0	112.6	I76 T77 I190	I76-A79 PolarHBondContact O-N 2.83Å; T77-A79 VanDerWaalsContact C-N 3.26Å; T77-A79 PolarHBondContact O-N 2.75Å; A79-I190 VanDerWaalsContact O-CD1 3.27Å; A79-I190 WeakPolarHBondContact O-CD1 3.37Å
80	Y	85.1	Confident	84.8	Confident	47 Å²	47	39.6 Å²	39.6	18%	0.184	20%	0.204	C	C	.	.	H	α-helix	trans	-83.1	-12.6	-179.9	-63.9	-84.5	0	0	0	113.7	K13 V46 W65 I76 T77 S78 R82 I190	K13-Y80 WeakPolarHBondContact CE-O 2.97Å; K13-Y80 PolarHBondContact NZ-O 3.05Å; V46-Y80 HydrophobicContact CB-CD1 4.42Å; V46-Y80 HydrophobicContact CB-CD2 3.99Å; V46-Y80 HydrophobicContact CB-CE1 4.13Å; V46-Y80 HydrophobicContact CB-CE2 3.68Å; V46-Y80 HydrophobicContact CB-CG 4.34Å; V46-Y80 HydrophobicContact CG1-CD1 3.93Å; V46-Y80 HydrophobicContact CG1-CD2 4.09Å; V46-Y80 HydrophobicContact CG1-CE1 4.03Å; V46-Y80 HydrophobicContact CG1-CE2 4.19Å; V46-Y80 HydrophobicContact CG1-CG 3.95Å; V46-Y80 HydrophobicContact CG2-CD2 3.41Å; V46-Y80 VanDerWaalsContact CG2-CD2 3.41Å; V46-Y80 HydrophobicContact CG2-CE2 3.31Å; V46-Y80 HydrophobicContact CG2-CG 4.12Å; W65-Y80 AromaticContact CE3-CD1 3.52Å; W65-Y80 HydrophobicContact CE3-CD1 3.52Å; W65-Y80 AromaticContact CE3-CE1 3.96Å; W65-Y80 HydrophobicContact CE3-CE1 3.96Å; W65-Y80 HydrophobicContact CE3-CG 4.41Å; W65-Y80 HydrophobicContact CH2-CD1 4.31Å; W65-Y80 HydrophobicContact CH2-CE1 4.36Å; W65-Y80 AromaticContact CZ3-CD1 3.4Å; W65-Y80 HydrophobicContact CZ3-CD1 3.4Å; W65-Y80 AromaticContact CZ3-CE1 3.44Å; W65-Y80 HydrophobicContact CZ3-CE1 3.44Å; W65-Y80 VanDerWaalsContact CZ3-CE1 3.44Å; I76-Y80 HydrophobicContact CG2-CE2 3.78Å; I76-Y80 WeakPolarHBondContact O-CD2 3.43Å; I76-Y80 VanDerWaalsContact O-CE2 3.25Å; I76-Y80 WeakPolarHBondContact O-CE2 3.33Å; T77-Y80 PolarHBondContact O-N 3.37Å; S78-Y80 PolarHBondContact O-N 3.47Å; Y80-R82 VanDerWaalsContact C-N 3.28Å; Y80-R82 PolarHBondContact O-N 3Å; Y80-I190 HydrophobicContact CD1-CD1 4.46Å
81	Y	89.1	Confident	85.8	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.2	-29.3	174.7	-59.5	-15.2	0	0	0	111.9	V15 I17 T77 S78 G83 A84 E108 L109 Y112	V15-Y81 HydrophobicContact CG2-CD1 4.27Å; I17-Y81 HydrophobicContact CG2-CD1 4.33Å; I17-Y81 HydrophobicContact CG2-CE1 3.41Å; I17-Y81 VanDerWaalsContact CG2-CE1 3.41Å; T77-Y81 HydrophobicContact CG2-CE1 3.56Å; T77-Y81 VanDerWaalsContact CG2-OH 3.24Å; T77-Y81 WeakPolarHBondContact CG2-OH 3.37Å; S78-Y81 WeakPolarHBondContact O-CB 3.29Å; S78-Y81 PolarHBondContact O-N 2.82Å; S78-Y81 VanDerWaalsContact O-N 3.16Å; Y81-G83 PolarHBondContact O-N 2.9Å; Y81-A84 WeakPolarHBondContact O-CB 3.38Å; Y81-A84 PolarHBondContact O-N 3.33Å; Y81-E108 HydrophobicContact CE2-CB 4.24Å; Y81-E108 HydrophobicContact CE2-CG 3.82Å; Y81-E108 VanDerWaalsContact CE2-OE1 3.29Å; Y81-E108 WeakPolarHBondContact CE2-OE1 3.34Å; Y81-E108 PolarHBondContact OH-OE1 3.35Å; Y81-L109 HydrophobicContact CD1-CD1 4.35Å; Y81-L109 HydrophobicContact CD2-CD1 4.47Å; Y81-L109 HydrophobicContact CG-CD1 4.16Å; Y81-Y112 HydrophobicContact CD2-CD2 4.08Å; Y81-Y112 HydrophobicContact CD2-CG 4.47Å
82	R	87.6	Confident	87.3	Confident	153 Å²	153	31.3 Å²	31.3	58%	0.577	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	127.7	177.9	-176	175.1	-78.6	120.3	-3.1	110.9	K13 Y80 A84	K13-R82 PolarHBondContact NZ-O 2.86Å; Y80-R82 VanDerWaalsContact C-N 3.28Å; Y80-R82 PolarHBondContact O-N 3Å; R82-A84 PolarHBondContact O-N 3.18Å
83	G	88.8	Confident	88.4	Confident	46 Å²	46	25.5 Å²	25.5	47%	0.474	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	8	-178.5	0	0	0	0	0	114.6	Y81 V85	Y81-G83 PolarHBondContact O-N 2.9Å; G83-V85 PolarHBondContact O-N 2.86Å
84	A	93.5	Very high	89.4	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.008	15%	0.145	C	C	.	.			trans	-69	129	166.9	0	0	0	0	0	109.1	K13 V15 Y81 R82	K13-A84 HydrophobicContact CG-CB 4.45Å; V15-A84 HydrophobicContact CG1-CB 3.94Å; V15-A84 HydrophobicContact CG2-CB 4.04Å; Y81-A84 WeakPolarHBondContact O-CB 3.38Å; Y81-A84 PolarHBondContact O-N 3.33Å; R82-A84 PolarHBondContact O-N 3.18Å
85	V	95.3	Very high	90.6	Very high	15 Å²	15	26.1 Å²	26.1	9%	0.091	15%	0.152	C	C	.	.	S	Bend	trans	-100.6	-13.8	174.4	-66.4	0	0	0	0	111.6	F12 K13 G83 I118 I172 F182 M184	F12-V85 HydrophobicContact CB-CG2 3.99Å; F12-V85 HydrophobicContact CD1-CG2 4.42Å; F12-V85 HydrophobicContact CG-CG2 4.31Å; K13-V85 WeakPolarHBondContact O-CG2 3.22Å; K13-V85 PolarHBondContact O-N 3.17Å; G83-V85 PolarHBondContact O-N 2.86Å; V85-I118 PolarHBondContact O-N 3.49Å; V85-I118 VanDerWaalsContact O-N 3.09Å; V85-I172 HydrophobicContact CB-CG2 4.12Å; V85-I172 HydrophobicContact CG2-CD1 4.38Å; V85-I172 HydrophobicContact CG2-CG2 3.82Å; V85-F182 HydrophobicContact CG1-CE1 4.15Å; V85-M184 HydrophobicContact CB-CE 4.43Å; V85-M184 HydrophobicContact CG1-CE 3.74Å; V85-M184 HydrophobicContact CG1-SD 3.92Å; V85-M184 HydrophobicContact CG2-CE 4.05Å
86	G	97.2	Very high	91.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	155.1	169.6	0	0	0	0	0	112.5	K13 I14 V15 I118	K13-G86 PolarHBondContact O-N 2.83Å; I14-G86 VanDerWaalsContact CA-O 3.28Å; I14-G86 WeakPolarHBondContact CA-O 3.29Å; V15-G86 PolarHBondContact N-O 2.82Å; V15-G86 VanDerWaalsContact N-O 3.07Å; G86-I118 CarbonylContact C-O 3.57Å; G86-I118 WeakPolarHBondContact CA-O 3.19Å
87	A	97.6	Very high	93	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	141.8	171	0	0	0	0	0	110.6	V15 L109 V117 I118 I119 M120	V15-A87 HydrophobicContact CG2-CB 3.84Å; V15-A87 CarbonylContact O-C 3.46Å; V15-A87 WeakPolarHBondContact O-CA 3.49Å; A87-L109 HydrophobicContact CB-CD1 3.97Å; A87-L109 HydrophobicContact CB-CD2 3.36Å; A87-L109 HydrophobicContact CB-CG 4.32Å; A87-V117 HydrophobicContact CB-CG2 4.19Å; A87-I118 PolarHBondContact N-O 2.86Å; A87-I119 HydrophobicContact CB-CG1 4.44Å; A87-I119 WeakPolarHBondContact O-CA 3.4Å; A87-M120 PolarHBondContact O-N 2.72Å
88	I	98.5	Very high	94	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	111.9	171.5	-61.6	178.4	0	0	0	107.1	I14 V15 L16 I17 V90 M120 I122 F165 T168	I14-I88 HydrophobicContact CG2-CD1 4.13Å; I14-I88 HydrophobicContact CG2-CG1 3.99Å; V15-I88 PolarHBondContact O-N 3.14Å; L16-I88 WeakPolarHBondContact CA-O 3.01Å; L16-I88 HydrophobicContact CD2-CB 3.6Å; L16-I88 HydrophobicContact CD2-CD1 3.8Å; L16-I88 HydrophobicContact CD2-CG1 4.09Å; L16-I88 HydrophobicContact CD2-CG2 4.13Å; I17-I88 PolarHBondContact N-O 2.91Å; I88-V90 HydrophobicContact CG2-CG2 3.78Å; I88-M120 CarbonylContact C-O 3.41Å; I88-M120 WeakPolarHBondContact CA-O 3.41Å; I88-M120 HydrophobicContact CG1-CB 4.42Å; I88-I122 HydrophobicContact CG2-CB 4.26Å; I88-I122 HydrophobicContact CG2-CD1 3.35Å; I88-I122 HydrophobicContact CG2-CG1 3.71Å; I88-F165 HydrophobicContact CD1-CD1 3.59Å; I88-F165 HydrophobicContact CD1-CD2 4.15Å; I88-F165 HydrophobicContact CD1-CE1 3.4Å; I88-F165 VanDerWaalsContact CD1-CE1 3.4Å; I88-F165 HydrophobicContact CD1-CE2 4.01Å; I88-F165 HydrophobicContact CD1-CG 3.98Å; I88-F165 HydrophobicContact CD1-CZ 3.64Å; I88-T168 HydrophobicContact CG1-CG2 4.46Å
89	L	97.9	Very high	95	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	115.2	-179.1	176.6	61.8	0	0	0	108.6	I17 L102 W105 L106 I119 M120 L121 I122	I17-L89 HydrophobicContact CD1-CB 4.47Å; I17-L89 HydrophobicContact CD1-CD1 3.9Å; I17-L89 HydrophobicContact CG1-CB 4.21Å; I17-L89 HydrophobicContact CG1-CD1 3.76Å; L89-L102 HydrophobicContact CD1-CD2 3.68Å; L89-L102 HydrophobicContact CD2-CB 4.38Å; L89-L102 HydrophobicContact CD2-CD2 3.84Å; L89-L102 HydrophobicContact CG-CD2 3.53Å; L89-W105 HydrophobicContact CD1-CB 3.56Å; L89-W105 HydrophobicContact CD1-CG 4.33Å; L89-L106 HydrophobicContact CD2-CB 4.28Å; L89-I119 HydrophobicContact CB-CG2 4.41Å; L89-M120 PolarHBondContact N-O 2.83Å; L89-L121 HydrophobicContact CB-CD1 4.46Å; L89-L121 HydrophobicContact CD2-CD1 4.18Å; L89-L121 HydrophobicContact CG-CD1 4.09Å; L89-L121 CarbonylContact O-C 3.56Å; L89-L121 WeakPolarHBondContact O-CA 3.47Å; L89-I122 PolarHBondContact O-N 2.92Å
90	V	98.6	Very high	95.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133	-167.8	-169.4	0	0	0	0	111.5	I17 V22 K24 L27 I88 I122 N124	I17-V90 PolarHBondContact O-N 2.84Å; V22-V90 HydrophobicContact CB-CG1 4.15Å; V22-V90 HydrophobicContact CG2-CB 3.86Å; V22-V90 HydrophobicContact CG2-CG1 3.7Å; K24-V90 HydrophobicContact CG-CB 4.18Å; K24-V90 HydrophobicContact CG-CG2 4.16Å; L27-V90 HydrophobicContact CD1-CG1 3.76Å; L27-V90 HydrophobicContact CD1-CG2 4.02Å; I88-V90 HydrophobicContact CG2-CG2 3.78Å; V90-I122 WeakPolarHBondContact CA-O 3.49Å; V90-I122 HydrophobicContact CG1-CG2 4.46Å; V90-I122 HydrophobicContact CG2-CB 4.43Å; V90-N124 HydrophobicContact CG1-CB 3.87Å
91	Y	98.7	Very high	96.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	166.2	165.5	74.7	-81.6	0	0	0	111	I93 F99 L102 L121 I122 N124 V134 A139 F150	Y91-I93 HydrophobicContact CE2-CG2 3.91Å; Y91-F99 AromaticContact CD1-CD2 4Å; Y91-F99 HydrophobicContact CD1-CD2 4Å; Y91-F99 HydrophobicContact CD2-CB 3.88Å; Y91-F99 AromaticContact CD2-CD2 3.86Å; Y91-F99 HydrophobicContact CD2-CD2 3.86Å; Y91-F99 HydrophobicContact CD2-CG 4.34Å; Y91-F99 AromaticContact CE1-CD2 3.95Å; Y91-F99 HydrophobicContact CE1-CD2 3.95Å; Y91-F99 HydrophobicContact CE1-CE2 4.32Å; Y91-F99 HydrophobicContact CE2-CB 4.42Å; Y91-F99 AromaticContact CE2-CD2 3.83Å; Y91-F99 HydrophobicContact CE2-CD2 3.83Å; Y91-F99 HydrophobicContact CG-CB 4.24Å; Y91-F99 AromaticContact CG-CD2 3.96Å; Y91-F99 HydrophobicContact CG-CD2 3.96Å; Y91-F99 AromaticContact CZ-CD2 3.89Å; Y91-L102 HydrophobicContact CD1-CD1 4.03Å; Y91-L102 HydrophobicContact CD1-CD2 4.48Å; Y91-L102 HydrophobicContact CG-CD1 4.41Å; Y91-L121 HydrophobicContact CD1-CD1 3.86Å; Y91-L121 HydrophobicContact CD1-CG 4.39Å; Y91-L121 HydrophobicContact CE1-CD1 4.09Å; Y91-L121 HydrophobicContact CE1-CD2 4.3Å; Y91-L121 HydrophobicContact CE1-CG 4.12Å; Y91-I122 WeakPolarHBondContact CD1-O 3.31Å; Y91-I122 PolarHBondContact N-O 2.9Å; Y91-N124 PolarHBondContact O-N 3.33Å; Y91-V134 HydrophobicContact CD2-CG2 4.47Å; Y91-V134 HydrophobicContact CE2-CB 3.95Å; Y91-V134 HydrophobicContact CE2-CG1 3.73Å; Y91-V134 HydrophobicContact CE2-CG2 4.25Å; Y91-A139 HydrophobicContact CE1-CB 4.21Å; Y91-A139 WeakPolarHBondContact OH-CB 3.32Å; Y91-F150 HydrophobicContact CE1-CE2 4.21Å
92	D	98.6	Very high	96.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121	176.6	177.4	-18.4	0	0	0	109.2	V22 S94 K95 T98 K125	V22-D92 HydrophobicContact CB-CB 4.31Å; V22-D92 HydrophobicContact CG1-CB 4.22Å; D92-S94 PolarHBondContact O-N 2.84Å; D92-S94 VanDerWaalsContact O-N 3.09Å; D92-S94 WeakPolarHBondContact OD1-CB 2.99Å; D92-S94 PolarHBondContact OD1-N 3.43Å; D92-S94 PolarHBondContact OD1-OG 3.07Å; D92-K95 HydrophobicContact CB-CB 4.11Å; D92-K95 HydrophobicContact CB-CD 4.38Å; D92-K95 HydrophobicContact CB-CG 4.37Å; D92-K95 PolarHBondContact O-N 2.84Å; D92-K95 WeakPolarHBondContact OD2-CD 3.3Å; D92-T98 HydrophobicContact CB-CG2 4.48Å; D92-T98 PolarHBondContact N-OG1 2.63Å; D92-T98 PolarHBondContact O-OG1 3.42Å; D92-K125 WeakPolarHBondContact OD2-CD 3.5Å; D92-K125 VanDerWaalsContact OD2-CE 3.27Å; D92-K125 WeakPolarHBondContact OD2-CE 3.45Å; D92-K125 IonicContact OD2-NZ 2.75Å; D92-K125 PolarHBondContact OD2-NZ 3.16Å
93	I	98.7	Very high	97.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.6	-175.8	65	146.9	0	0	0	113.9	Y91 N124 K125 C126 R132 C133 V134	Y91-I93 HydrophobicContact CE2-CG2 3.91Å; I93-N124 PolarHBondContact N-O 2.9Å; I93-N124 VanDerWaalsContact N-O 3.07Å; I93-K125 WeakPolarHBondContact CD1-O 3.11Å; I93-K125 VanDerWaalsContact CG1-O 3.32Å; I93-K125 WeakPolarHBondContact CG1-O 3.44Å; I93-C126 HydrophobicContact CD1-CB 4.42Å; I93-R132 HydrophobicContact CD1-CB 4.24Å; I93-R132 HydrophobicContact CD1-CG 4.34Å; I93-C133 PolarHBondContact O-N 2.94Å; I93-V134 PolarHBondContact O-N 3.42Å
94	S	98.2	Very high	97.4	Very high	24 Å²	24	32 Å²	32	17%	0.168	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-6.2	178.3	71.3	0	0	0	0	113.2	D92 L131	D92-S94 PolarHBondContact O-N 2.84Å; D92-S94 VanDerWaalsContact O-N 3.09Å; D92-S94 WeakPolarHBondContact OD1-CB 2.99Å; D92-S94 PolarHBondContact OD1-N 3.43Å; D92-S94 PolarHBondContact OD1-OG 3.07Å; S94-L131 WeakPolarHBondContact CA-O 3.36Å; S94-L131 WeakPolarHBondContact CB-O 3.22Å
95	K	97.9	Very high	97.4	Very high	79 Å²	79	32.1 Å²	32.1	34%	0.343	16%	0.163	S	C	.	.			trans	-127.7	93.4	-174.1	-65.3	-176.1	-176.8	-176.9	0	111.6	D92 H97 T98	D92-K95 HydrophobicContact CB-CB 4.11Å; D92-K95 HydrophobicContact CB-CD 4.38Å; D92-K95 HydrophobicContact CB-CG 4.37Å; D92-K95 PolarHBondContact O-N 2.84Å; D92-K95 WeakPolarHBondContact OD2-CD 3.3Å; K95-H97 VanDerWaalsContact C-N 3.27Å; K95-H97 PolarHBondContact O-N 3.35Å; K95-H97 VanDerWaalsContact O-N 3.14Å; K95-T98 HydrophobicContact CB-CG2 3.79Å; K95-T98 HydrophobicContact CD-CG2 4.41Å; K95-T98 PolarHBondContact O-N 3.47Å; K95-T98 PolarHBondContact O-OG1 3.25Å
96	P	97.8	Very high	97.4	Very high	58 Å²	58	31.6 Å²	31.6	38%	0.377	16%	0.16	S	C	.	.	H	α-helix	trans	-55.2	-36.3	-175.3	-29.9	37.5	0	0	0	115	T98 F99 L100 C133	P96-T98 PolarHBondContact O-N 2.92Å; P96-F99 WeakPolarHBondContact O-CB 3.4Å; P96-F99 PolarHBondContact O-N 3.23Å; P96-L100 WeakPolarHBondContact O-CG 3.42Å; P96-L100 PolarHBondContact O-N 3.45Å; P96-C133 HydrophobicContact CG-CB 3.39Å
97	H	97.6	Very high	97.2	Very high	101 Å²	101	37.8 Å²	37.8	47%	0.468	19%	0.189	S	C	.	.	H	α-helix	trans	-59.4	-33.2	179	64.9	-90.6	0	0	0	112.9	D19 K95 F99 L100 N101	D19-H97 IonicContact OD2-CD2 3.74Å; K95-H97 VanDerWaalsContact C-N 3.27Å; K95-H97 PolarHBondContact O-N 3.35Å; K95-H97 VanDerWaalsContact O-N 3.14Å; H97-F99 VanDerWaalsContact C-N 3.26Å; H97-F99 PolarHBondContact O-N 2.86Å; H97-L100 PolarHBondContact O-N 2.84Å; H97-N101 WeakPolarHBondContact O-CB 3.35Å; H97-N101 VanDerWaalsContact O-CG 3.23Å; H97-N101 PolarHBondContact O-N 3.29Å; H97-N101 PolarHBondContact O-ND2 2.97Å
98	T	97.8	Very high	96.9	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-68.9	-28.1	178.7	70	0	0	0	0	112.2	D19 V22 D92 K95 P96	D19-T98 HydrophobicContact CB-CG2 3.95Å; D19-T98 WeakPolarHBondContact OD2-CA 3.25Å; V22-T98 HydrophobicContact CG1-CG2 3.7Å; D92-T98 HydrophobicContact CB-CG2 4.48Å; D92-T98 PolarHBondContact N-OG1 2.63Å; D92-T98 PolarHBondContact O-OG1 3.42Å; K95-T98 HydrophobicContact CB-CG2 3.79Å; K95-T98 HydrophobicContact CD-CG2 4.41Å; K95-T98 PolarHBondContact O-N 3.47Å; K95-T98 PolarHBondContact O-OG1 3.25Å; P96-T98 PolarHBondContact O-N 2.92Å
99	F	98.7	Very high	96.6	Very high	32 Å²	32	38.5 Å²	38.5	14%	0.14	19%	0.192	C	C	.	.	H	α-helix	trans	-78.3	-42	172.3	-177.1	-99.2	0	0	0	111.7	Y91 P96 H97 N101 L102 V134 A139 Y142	Y91-F99 AromaticContact CD1-CD2 4Å; Y91-F99 HydrophobicContact CD1-CD2 4Å; Y91-F99 HydrophobicContact CD2-CB 3.88Å; Y91-F99 AromaticContact CD2-CD2 3.86Å; Y91-F99 HydrophobicContact CD2-CD2 3.86Å; Y91-F99 HydrophobicContact CD2-CG 4.34Å; Y91-F99 AromaticContact CE1-CD2 3.95Å; Y91-F99 HydrophobicContact CE1-CD2 3.95Å; Y91-F99 HydrophobicContact CE1-CE2 4.32Å; Y91-F99 HydrophobicContact CE2-CB 4.42Å; Y91-F99 AromaticContact CE2-CD2 3.83Å; Y91-F99 HydrophobicContact CE2-CD2 3.83Å; Y91-F99 HydrophobicContact CG-CB 4.24Å; Y91-F99 AromaticContact CG-CD2 3.96Å; Y91-F99 HydrophobicContact CG-CD2 3.96Å; Y91-F99 AromaticContact CZ-CD2 3.89Å; P96-F99 WeakPolarHBondContact O-CB 3.4Å; P96-F99 PolarHBondContact O-N 3.23Å; H97-F99 VanDerWaalsContact C-N 3.26Å; H97-F99 PolarHBondContact O-N 2.86Å; F99-N101 PolarHBondContact O-N 3.16Å; F99-L102 HydrophobicContact CD2-CD1 3.33Å; F99-L102 HydrophobicContact CD2-CG 4.43Å; F99-L102 HydrophobicContact CE2-CD1 3.59Å; F99-L102 HydrophobicContact CG-CD1 4.03Å; F99-L102 HydrophobicContact CZ-CD1 4.49Å; F99-L102 VanDerWaalsContact O-CB 3.24Å; F99-L102 WeakPolarHBondContact O-CB 3.36Å; F99-L102 WeakPolarHBondContact O-CD1 3.4Å; F99-L102 WeakPolarHBondContact O-CG 3.36Å; F99-L102 PolarHBondContact O-N 3.03Å; F99-L102 VanDerWaalsContact O-N 3.11Å; F99-V134 HydrophobicContact CB-CG1 4.24Å; F99-V134 HydrophobicContact CB-CG2 3.85Å; F99-V134 HydrophobicContact CD1-CG1 4.15Å; F99-V134 HydrophobicContact CD2-CG1 3.82Å; F99-V134 HydrophobicContact CE1-CG1 4.49Å; F99-V134 HydrophobicContact CE2-CG1 4.21Å; F99-V134 HydrophobicContact CG-CG1 3.8Å; F99-V134 HydrophobicContact CG-CG2 4.3Å; F99-A139 HydrophobicContact CE2-CB 3.79Å; F99-A139 HydrophobicContact CZ-CB 4.39Å; F99-Y142 HydrophobicContact CE2-CG 4.45Å; F99-Y142 HydrophobicContact CZ-CD2 4.42Å; F99-Y142 HydrophobicContact CZ-CG 4.15Å
100	L	97.8	Very high	96.3	Very high	130 Å²	130	43.3 Å²	43.3	68%	0.681	21%	0.213	S	C	*	.	H	α-helix	trans	-62	-31.6	177.2	-66	174.5	0	0	0	112.5	P96 H97 L102	P96-L100 WeakPolarHBondContact O-CG 3.42Å; P96-L100 PolarHBondContact O-N 3.45Å; H97-L100 PolarHBondContact O-N 2.84Å; L100-L102 VanDerWaalsContact C-N 3.26Å; L100-L102 PolarHBondContact O-N 3.03Å
101	N	96.7	Very high	96	Very high	60 Å²	60	49.6 Å²	49.6	32%	0.321	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-3.7	178.2	-70.8	-23	0	0	0	114	D19 H97 F99 N103 K104 W105	D19-N101 PolarHBondContact OD2-ND2 2.86Å; H97-N101 WeakPolarHBondContact O-CB 3.35Å; H97-N101 VanDerWaalsContact O-CG 3.23Å; H97-N101 PolarHBondContact O-N 3.29Å; H97-N101 PolarHBondContact O-ND2 2.97Å; F99-N101 PolarHBondContact O-N 3.16Å; N101-N103 PolarHBondContact O-N 2.84Å; N101-K104 WeakPolarHBondContact O-CB 3.28Å; N101-K104 PolarHBondContact O-N 2.92Å; N101-W105 PolarHBondContact O-N 2.73Å
102	L	97.7	Very high	95.6	Very high	1 Å²	1	54 Å²	54	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-59.6	-40.3	-176.3	-72.4	176.2	0	0	0	113.7	L89 Y91 F99 L100 K104 W105 L106 L121 Y142	L89-L102 HydrophobicContact CD1-CD2 3.68Å; L89-L102 HydrophobicContact CD2-CB 4.38Å; L89-L102 HydrophobicContact CD2-CD2 3.84Å; L89-L102 HydrophobicContact CG-CD2 3.53Å; Y91-L102 HydrophobicContact CD1-CD1 4.03Å; Y91-L102 HydrophobicContact CD1-CD2 4.48Å; Y91-L102 HydrophobicContact CG-CD1 4.41Å; F99-L102 HydrophobicContact CD2-CD1 3.33Å; F99-L102 HydrophobicContact CD2-CG 4.43Å; F99-L102 HydrophobicContact CE2-CD1 3.59Å; F99-L102 HydrophobicContact CG-CD1 4.03Å; F99-L102 HydrophobicContact CZ-CD1 4.49Å; F99-L102 VanDerWaalsContact O-CB 3.24Å; F99-L102 WeakPolarHBondContact O-CB 3.36Å; F99-L102 WeakPolarHBondContact O-CD1 3.4Å; F99-L102 WeakPolarHBondContact O-CG 3.36Å; F99-L102 PolarHBondContact O-N 3.03Å; F99-L102 VanDerWaalsContact O-N 3.11Å; L100-L102 VanDerWaalsContact C-N 3.26Å; L100-L102 PolarHBondContact O-N 3.03Å; L102-K104 VanDerWaalsContact C-N 3.27Å; L102-K104 PolarHBondContact O-N 2.89Å; L102-W105 PolarHBondContact O-N 3.32Å; L102-L106 WeakPolarHBondContact O-CB 3.49Å; L102-L106 PolarHBondContact O-N 3.19Å; L102-L121 HydrophobicContact CD1-CD1 3.69Å; L102-L121 HydrophobicContact CD2-CD1 3.93Å; L102-L121 HydrophobicContact CG-CD1 4.47Å; L102-Y142 HydrophobicContact CB-CE1 4.21Å; L102-Y142 HydrophobicContact CB-CE2 4.23Å; L102-Y142 WeakPolarHBondContact CB-OH 3.25Å; L102-Y142 HydrophobicContact CD1-CD1 4.32Å; L102-Y142 HydrophobicContact CD1-CE1 4.05Å
103	N	96.4	Very high	95.2	Very high	72 Å²	72	54.6 Å²	54.6	39%	0.385	27%	0.265	S	S	.	.	H	α-helix	trans	-57.8	-43.5	178.2	-74.7	-36.9	0	0	0	111.2	N101 W105 L106 E107 Y142	N101-N103 PolarHBondContact O-N 2.84Å; N103-W105 VanDerWaalsContact C-N 3.33Å; N103-W105 PolarHBondContact O-N 3.4Å; N103-L106 PolarHBondContact O-N 3.35Å; N103-E107 WeakPolarHBondContact O-CB 3.48Å; N103-E107 VanDerWaalsContact O-CG 3.29Å; N103-E107 WeakPolarHBondContact O-CG 3.48Å; N103-E107 PolarHBondContact O-N 2.89Å; N103-Y142 PolarHBondContact N-OH 2.97Å; N103-Y142 VanDerWaalsContact OD1-CE2 3.3Å; N103-Y142 WeakPolarHBondContact OD1-CE2 3.41Å; N103-Y142 PolarHBondContact OD1-OH 3.38Å
104	K	93.7	Very high	94.7	Very high	98 Å²	98	57.2 Å²	57.2	43%	0.426	28%	0.283	S	S	.	.	H	α-helix	trans	-60.8	-42.2	178.7	-172.5	-173.5	-171.1	-156.3	0	112	R74 N101 L102 E108	R74-K104 VanDerWaalsContact NH2-CD 3.27Å; N101-K104 WeakPolarHBondContact O-CB 3.28Å; N101-K104 PolarHBondContact O-N 2.92Å; L102-K104 VanDerWaalsContact C-N 3.27Å; L102-K104 PolarHBondContact O-N 2.89Å; K104-E108 WeakPolarHBondContact O-CB 3.36Å; K104-E108 PolarHBondContact O-N 2.84Å
105	W	94	Very high	94.2	Very high	2 Å²	2	64 Å²	64	1%	0.008	32%	0.318	C	S	.	.	H	α-helix	trans	-70.6	-37.2	177.1	-71	109.9	0	0	0	112.4	I17 G18 D19 L89 N101 L102 N103 L109	I17-W105 HydrophobicContact CB-CE3 4.42Å; I17-W105 HydrophobicContact CD1-CB 4.42Å; G18-W105 VanDerWaalsContact C-CE2 3.45Å; G18-W105 WeakPolarHBondContact O-CZ2 3.3Å; D19-W105 PolarHBondContact OD1-NE1 3.17Å; L89-W105 HydrophobicContact CD1-CB 3.56Å; L89-W105 HydrophobicContact CD1-CG 4.33Å; N101-W105 PolarHBondContact O-N 2.73Å; L102-W105 PolarHBondContact O-N 3.32Å; N103-W105 VanDerWaalsContact C-N 3.33Å; N103-W105 PolarHBondContact O-N 3.4Å; W105-L109 WeakPolarHBondContact O-CB 3.26Å; W105-L109 PolarHBondContact O-N 3.22Å
106	L	94.9	Very high	93.8	Very high	4 Å²	4	63.2 Å²	63.2	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-69.9	-42.2	179	-176.8	59.7	0	0	0	112.1	L89 L102 N103 L109 K110 I119 Q146	L89-L106 HydrophobicContact CD2-CB 4.28Å; L102-L106 WeakPolarHBondContact O-CB 3.49Å; L102-L106 PolarHBondContact O-N 3.19Å; N103-L106 PolarHBondContact O-N 3.35Å; L106-L109 PolarHBondContact O-N 3.32Å; L106-K110 HydrophobicContact CD1-CD 4.42Å; L106-K110 HydrophobicContact CG-CD 4.3Å; L106-K110 WeakPolarHBondContact O-CB 3.3Å; L106-K110 WeakPolarHBondContact O-CG 3.42Å; L106-K110 PolarHBondContact O-N 3.47Å; L106-I119 HydrophobicContact CD1-CD1 3.55Å; L106-Q146 HydrophobicContact CD2-CB 4.04Å; L106-Q146 HydrophobicContact CD2-CG 3.71Å; L106-Q146 VanDerWaalsContact CD2-OE1 3.31Å
107	E	93.3	Very high	93.7	Very high	131 Å²	131	61.2 Å²	61.2	61%	0.612	30%	0.304	S	S	*	.	H	α-helix	trans	-60	-48.3	173.5	-75.2	168.8	-170.4	0	0	110.7	N103 L109 K110 E111	N103-E107 WeakPolarHBondContact O-CB 3.48Å; N103-E107 VanDerWaalsContact O-CG 3.29Å; N103-E107 WeakPolarHBondContact O-CG 3.48Å; N103-E107 PolarHBondContact O-N 2.89Å; E107-L109 VanDerWaalsContact C-N 3.34Å; E107-L109 PolarHBondContact O-N 3.21Å; E107-K110 PolarHBondContact O-N 3Å; E107-E111 PolarHBondContact O-N 3.32Å
108	E	91.1	Very high	93.7	Very high	15 Å²	15	58.1 Å²	58.1	7%	0.07	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-42.7	177.5	-159.6	-169.8	119	0	0	111.4	R74 Y81 K104 K110 E111 Y112	R74-E108 IonicContact CZ-OE2 3.23Å; R74-E108 VanDerWaalsContact CZ-OE2 3.23Å; R74-E108 IonicContact NE-OE2 3.97Å; R74-E108 IonicContact NH1-OE2 2.66Å; R74-E108 PolarHBondContact NH1-OE2 2.83Å; R74-E108 IonicContact NH2-OE2 3.76Å; Y81-E108 HydrophobicContact CE2-CB 4.24Å; Y81-E108 HydrophobicContact CE2-CG 3.82Å; Y81-E108 VanDerWaalsContact CE2-OE1 3.29Å; Y81-E108 WeakPolarHBondContact CE2-OE1 3.34Å; Y81-E108 PolarHBondContact OH-OE1 3.35Å; K104-E108 WeakPolarHBondContact O-CB 3.36Å; K104-E108 PolarHBondContact O-N 2.84Å; E108-K110 PolarHBondContact O-N 2.95Å; E108-E111 PolarHBondContact O-N 3.47Å; E108-Y112 HydrophobicContact CG-CD2 4.46Å; E108-Y112 HydrophobicContact CG-CE2 4.25Å; E108-Y112 WeakPolarHBondContact O-CD2 3.17Å
109	L	92.9	Very high	93.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-49.2	174.7	176.6	69.1	0	0	0	111.4	V15 I17 Y81 A87 W105 L106 E107 E111 Y112 A113 V117 I119	V15-L109 HydrophobicContact CG2-CD1 4.15Å; I17-L109 HydrophobicContact CD1-CB 3.88Å; I17-L109 HydrophobicContact CD1-CD1 4.42Å; I17-L109 HydrophobicContact CD1-CD2 3.94Å; I17-L109 HydrophobicContact CD1-CG 4.3Å; Y81-L109 HydrophobicContact CD1-CD1 4.35Å; Y81-L109 HydrophobicContact CD2-CD1 4.47Å; Y81-L109 HydrophobicContact CG-CD1 4.16Å; A87-L109 HydrophobicContact CB-CD1 3.97Å; A87-L109 HydrophobicContact CB-CD2 3.36Å; A87-L109 HydrophobicContact CB-CG 4.32Å; W105-L109 WeakPolarHBondContact O-CB 3.26Å; W105-L109 PolarHBondContact O-N 3.22Å; L106-L109 PolarHBondContact O-N 3.32Å; E107-L109 VanDerWaalsContact C-N 3.34Å; E107-L109 PolarHBondContact O-N 3.21Å; L109-E111 PolarHBondContact O-N 3.25Å; L109-Y112 PolarHBondContact O-N 3.48Å; L109-A113 HydrophobicContact CD1-CB 3.86Å; L109-A113 HydrophobicContact CG-CB 4.27Å; L109-A113 WeakPolarHBondContact O-CB 3.48Å; L109-A113 PolarHBondContact O-N 2.97Å; L109-V117 HydrophobicContact CD2-CG1 4.41Å; L109-I119 HydrophobicContact CD2-CD1 3.71Å; L109-I119 HydrophobicContact CD2-CG1 4.01Å
110	K	92.3	Very high	93.7	Very high	101 Å²	101	57.4 Å²	57.4	44%	0.439	29%	0.288	S	S	.	.	H	α-helix	trans	-66.2	-23	-178.6	-73.2	176.9	175.9	179.5	0	113.2	L106 E107 E108	L106-K110 HydrophobicContact CD1-CD 4.42Å; L106-K110 HydrophobicContact CG-CD 4.3Å; L106-K110 WeakPolarHBondContact O-CB 3.3Å; L106-K110 WeakPolarHBondContact O-CG 3.42Å; L106-K110 PolarHBondContact O-N 3.47Å; E107-K110 PolarHBondContact O-N 3Å; E108-K110 PolarHBondContact O-N 2.95Å
111	E	92	Very high	93.8	Very high	132 Å²	132	51.2 Å²	51.2	62%	0.617	26%	0.255	S	S	*	.	H	α-helix	trans	-71.1	-33.5	175.8	-171.6	-175.4	154.1	0	0	112.8	E107 E108 L109	E107-E111 PolarHBondContact O-N 3.32Å; E108-E111 PolarHBondContact O-N 3.47Å; L109-E111 PolarHBondContact O-N 3.25Å
112	Y	89.8	Confident	93.9	Very high	91 Å²	91	48.4 Å²	48.4	36%	0.357	24%	0.24	S	C	.	.	H	α-helix	trans	-116.8	-19.7	-171.6	-60.8	-79.1	0	0	0	115.1	Y81 E108 L109	Y81-Y112 HydrophobicContact CD2-CD2 4.08Å; Y81-Y112 HydrophobicContact CD2-CG 4.47Å; E108-Y112 HydrophobicContact CG-CD2 4.46Å; E108-Y112 HydrophobicContact CG-CE2 4.25Å; E108-Y112 WeakPolarHBondContact O-CD2 3.17Å; L109-Y112 PolarHBondContact O-N 3.48Å
113	A	90.7	Very high	93.9	Very high	14 Å²	14	48.3 Å²	48.3	12%	0.116	24%	0.24	C	C	.	.	S	Bend	trans	-89.7	167.7	175.5	0	0	0	0	0	111.4	L109 V117	L109-A113 HydrophobicContact CD1-CB 3.86Å; L109-A113 HydrophobicContact CG-CB 4.27Å; L109-A113 WeakPolarHBondContact O-CB 3.48Å; L109-A113 PolarHBondContact O-N 2.97Å; A113-V117 HydrophobicContact CB-CB 4.39Å; A113-V117 HydrophobicContact CB-CG1 4.29Å
114	S	87.6	Confident	94	Very high	55 Å²	55	45 Å²	45	39%	0.385	22%	0.222	S	C	.	.			trans	-70.2	150.3	172.1	-54.4	0	0	0	0	111	D116 V117	S114-D116 WeakPolarHBondContact CB-OD1 3.29Å; S114-D116 PolarHBondContact O-N 3.17Å; S114-D116 VanDerWaalsContact O-N 3.1Å; S114-V117 WeakPolarHBondContact O-CB 3.29Å; S114-V117 WeakPolarHBondContact O-CG1 3.38Å; S114-V117 PolarHBondContact O-N 2.85Å; S114-V117 VanDerWaalsContact O-N 3.15Å
115	D	87.5	Confident	94.3	Very high	166 Å²	166	42.6 Å²	42.6	89%	0.888	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.1	179.8	-70.2	-29.6	0	0	0	113.7
116	D	90	Very high	94.5	Very high	62 Å²	62	42.8 Å²	42.8	33%	0.332	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	10.3	-177.4	68.3	-32.6	0	0	0	113.9	S114 I118 L175 F182	S114-D116 WeakPolarHBondContact CB-OD1 3.29Å; S114-D116 PolarHBondContact O-N 3.17Å; S114-D116 VanDerWaalsContact O-N 3.1Å; D116-I118 PolarHBondContact O-N 3.13Å; D116-L175 HydrophobicContact CB-CD2 4.3Å; D116-L175 VanDerWaalsContact O-CD2 3.31Å; D116-L175 WeakPolarHBondContact O-CD2 3.16Å; D116-F182 WeakPolarHBondContact OD2-CE2 3.24Å; D116-F182 WeakPolarHBondContact OD2-CZ 2.94Å
117	V	95.3	Very high	94.6	Very high	17 Å²	17	44.4 Å²	44.4	10%	0.103	22%	0.222	C	C	.	.			trans	-58	126.1	175.4	65.9	0	0	0	0	111.1	A87 L109 A113 S114 I119	A87-V117 HydrophobicContact CB-CG2 4.19Å; L109-V117 HydrophobicContact CD2-CG1 4.41Å; A113-V117 HydrophobicContact CB-CB 4.39Å; A113-V117 HydrophobicContact CB-CG1 4.29Å; S114-V117 WeakPolarHBondContact O-CB 3.29Å; S114-V117 WeakPolarHBondContact O-CG1 3.38Å; S114-V117 PolarHBondContact O-N 2.85Å; S114-V117 VanDerWaalsContact O-N 3.15Å; V117-I119 HydrophobicContact CG1-CD1 4.03Å; V117-I119 HydrophobicContact CG1-CG1 4.01Å
118	I	97.6	Very high	94.8	Very high	36 Å²	36	40.2 Å²	40.2	19%	0.185	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	126.4	173.9	-66.2	-62	0	0	0	109.4	V85 G86 A87 D116 T168 D171 I172 L175	V85-I118 PolarHBondContact O-N 3.49Å; V85-I118 VanDerWaalsContact O-N 3.09Å; G86-I118 CarbonylContact C-O 3.57Å; G86-I118 WeakPolarHBondContact CA-O 3.19Å; A87-I118 PolarHBondContact N-O 2.86Å; D116-I118 PolarHBondContact O-N 3.13Å; I118-T168 HydrophobicContact CG2-CG2 4.31Å; I118-D171 HydrophobicContact CD1-CB 4.48Å; I118-D171 HydrophobicContact CG1-CB 4.5Å; I118-D171 HydrophobicContact CG2-CB 3.82Å; I118-I172 HydrophobicContact CB-CG1 3.67Å; I118-I172 HydrophobicContact CG1-CB 4.48Å; I118-I172 HydrophobicContact CG1-CG1 3.77Å; I118-I172 HydrophobicContact CG2-CG1 4.16Å; I118-L175 HydrophobicContact CD1-CB 4.49Å; I118-L175 HydrophobicContact CD1-CD2 3.81Å; I118-L175 HydrophobicContact CG1-CD2 4.01Å
119	I	98.2	Very high	95	Very high	16 Å²	16	46.4 Å²	46.4	8%	0.082	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.7	-175.5	-51.7	175.3	0	0	0	110.6	A87 L89 L106 L109 V117 I148 S149	A87-I119 HydrophobicContact CB-CG1 4.44Å; A87-I119 WeakPolarHBondContact O-CA 3.4Å; L89-I119 HydrophobicContact CB-CG2 4.41Å; L106-I119 HydrophobicContact CD1-CD1 3.55Å; L109-I119 HydrophobicContact CD2-CD1 3.71Å; L109-I119 HydrophobicContact CD2-CG1 4.01Å; V117-I119 HydrophobicContact CG1-CD1 4.03Å; V117-I119 HydrophobicContact CG1-CG1 4.01Å; I119-I148 HydrophobicContact CB-CB 4.13Å; I119-I148 HydrophobicContact CB-CG2 3.68Å; I119-I148 HydrophobicContact CD1-CG2 4.25Å; I119-I148 HydrophobicContact CG1-CG2 4.47Å; I119-I148 HydrophobicContact CG2-CB 4.23Å; I119-I148 HydrophobicContact CG2-CD1 4.12Å; I119-I148 HydrophobicContact CG2-CG2 3.97Å; I119-S149 PolarHBondContact O-N 3.11Å
120	M	98.7	Very high	95.2	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.015	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.6	169.6	174	69.3	75.2	0	0	109.6	A87 I88 L89 I122 M151 Q167 T168	A87-M120 PolarHBondContact O-N 2.72Å; I88-M120 CarbonylContact C-O 3.41Å; I88-M120 WeakPolarHBondContact CA-O 3.41Å; I88-M120 HydrophobicContact CG1-CB 4.42Å; L89-M120 PolarHBondContact N-O 2.83Å; M120-I122 HydrophobicContact CG-CD1 4.36Å; M120-I122 HydrophobicContact CG-CG1 3.86Å; M120-M151 HydrophobicContact SD-CB 4.28Å; M120-Q167 HydrophobicContact CE-CB 4.1Å; M120-Q167 HydrophobicContact CE-CG 4.02Å; M120-T168 VanDerWaalsContact CB-OG1 3.28Å; M120-T168 WeakPolarHBondContact CB-OG1 3.29Å
121	L	98.8	Very high	95.5	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	129.7	167	-179.9	67.5	0	0	0	109.7	L89 Y91 L102 A139 Y142 A143 I148 S149 F150 M151	L89-L121 HydrophobicContact CB-CD1 4.46Å; L89-L121 HydrophobicContact CD2-CD1 4.18Å; L89-L121 HydrophobicContact CG-CD1 4.09Å; L89-L121 CarbonylContact O-C 3.56Å; L89-L121 WeakPolarHBondContact O-CA 3.47Å; Y91-L121 HydrophobicContact CD1-CD1 3.86Å; Y91-L121 HydrophobicContact CD1-CG 4.39Å; Y91-L121 HydrophobicContact CE1-CD1 4.09Å; Y91-L121 HydrophobicContact CE1-CD2 4.3Å; Y91-L121 HydrophobicContact CE1-CG 4.12Å; L102-L121 HydrophobicContact CD1-CD1 3.69Å; L102-L121 HydrophobicContact CD2-CD1 3.93Å; L102-L121 HydrophobicContact CG-CD1 4.47Å; L121-A139 HydrophobicContact CD2-CB 4.49Å; L121-Y142 HydrophobicContact CD2-CD1 3.79Å; L121-Y142 HydrophobicContact CD2-CE1 4.35Å; L121-A143 HydrophobicContact CD2-CB 4.06Å; L121-I148 HydrophobicContact CB-CD1 3.95Å; L121-I148 HydrophobicContact CB-CG1 4.42Å; L121-S149 WeakPolarHBondContact CB-O 3.25Å; L121-S149 PolarHBondContact N-O 3.26Å; L121-F150 HydrophobicContact CB-CB 4.36Å; L121-F150 HydrophobicContact CB-CD2 4.04Å; L121-F150 HydrophobicContact CD2-CD2 3.7Å; L121-F150 HydrophobicContact CD2-CE2 4.26Å; L121-F150 HydrophobicContact CD2-CG 4.35Å; L121-F150 HydrophobicContact CG-CD2 3.77Å; L121-F150 HydrophobicContact CG-CE2 4.37Å; L121-F150 WeakPolarHBondContact O-CA 3.45Å; L121-F150 WeakPolarHBondContact O-CD2 3.25Å; L121-M151 PolarHBondContact O-N 3.25Å
122	I	98.9	Very high	95.8	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	118.5	174.4	-66	-172.5	0	0	0	110.9	L27 I88 L89 V90 Y91 M120 N124 M151 T153 A164	L27-I122 HydrophobicContact CD1-CG2 4.12Å; I88-I122 HydrophobicContact CG2-CB 4.26Å; I88-I122 HydrophobicContact CG2-CD1 3.35Å; I88-I122 HydrophobicContact CG2-CG1 3.71Å; L89-I122 PolarHBondContact O-N 2.92Å; V90-I122 WeakPolarHBondContact CA-O 3.49Å; V90-I122 HydrophobicContact CG1-CG2 4.46Å; V90-I122 HydrophobicContact CG2-CB 4.43Å; Y91-I122 WeakPolarHBondContact CD1-O 3.31Å; Y91-I122 PolarHBondContact N-O 2.9Å; M120-I122 HydrophobicContact CG-CD1 4.36Å; M120-I122 HydrophobicContact CG-CG1 3.86Å; I122-N124 HydrophobicContact CG2-CB 4.22Å; I122-N124 PolarHBondContact O-N 2.61Å; I122-M151 VanDerWaalsContact CA-O 3.31Å; I122-M151 WeakPolarHBondContact CA-O 3.42Å; I122-T153 HydrophobicContact CD1-CG2 4.25Å; I122-T153 HydrophobicContact CG2-CG2 3.75Å; I122-T153 WeakPolarHBondContact CG2-OG1 3.38Å; I122-A164 HydrophobicContact CD1-CB 3.72Å; I122-A164 HydrophobicContact CG1-CB 4.4Å
123	G	98.8	Very high	96.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	95.6	162.9	0	0	0	0	0	109.9	M151 E152 T153	G123-M151 PolarHBondContact N-O 3.31Å; G123-E152 CarbonylContact O-C 3.56Å; G123-E152 VanDerWaalsContact O-CA 3.23Å; G123-E152 WeakPolarHBondContact O-CA 3.41Å; G123-T153 PolarHBondContact O-N 3.25Å
124	N	98.8	Very high	96.5	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	164.2	-176.7	-169.7	31.2	0	0	0	112.1	V22 L27 V90 Y91 I93 I122 T153 A155	V22-N124 PolarHBondContact O-ND2 3.37Å; L27-N124 HydrophobicContact CD1-CB 4.15Å; V90-N124 HydrophobicContact CG1-CB 3.87Å; Y91-N124 PolarHBondContact O-N 3.33Å; I93-N124 PolarHBondContact N-O 2.9Å; I93-N124 VanDerWaalsContact N-O 3.07Å; I122-N124 HydrophobicContact CG2-CB 4.22Å; I122-N124 PolarHBondContact O-N 2.61Å; N124-T153 CarbonylContact C-O 3.59Å; N124-T153 WeakPolarHBondContact CA-O 3.44Å; N124-T153 PolarHBondContact OD1-O 3.36Å; N124-T153 PolarHBondContact OD1-OG1 3.4Å; N124-A155 PolarHBondContact OD1-N 3.17Å
125	K	98.2	Very high	97	Very high	46 Å²	46	51 Å²	51	20%	0.2	26%	0.258	C	S	.	.			trans	68.9	38.4	-179.7	-46.9	-170	-166.6	168	0	113.3	G21 V22 D92 I93 D127 L128 T153	G21-K125 WeakPolarHBondContact O-CE 3.03Å; G21-K125 PolarHBondContact O-NZ 3.04Å; V22-K125 WeakPolarHBondContact O-CE 3.35Å; D92-K125 WeakPolarHBondContact OD2-CD 3.5Å; D92-K125 VanDerWaalsContact OD2-CE 3.27Å; D92-K125 WeakPolarHBondContact OD2-CE 3.45Å; D92-K125 IonicContact OD2-NZ 2.75Å; D92-K125 PolarHBondContact OD2-NZ 3.16Å; I93-K125 WeakPolarHBondContact CD1-O 3.11Å; I93-K125 VanDerWaalsContact CG1-O 3.32Å; I93-K125 WeakPolarHBondContact CG1-O 3.44Å; K125-D127 VanDerWaalsContact C-OD1 3.28Å; K125-D127 VanDerWaalsContact CA-OD1 3.24Å; K125-D127 WeakPolarHBondContact CA-OD1 3.24Å; K125-D127 PolarHBondContact O-N 2.9Å; K125-D127 VanDerWaalsContact O-N 3.12Å; K125-L128 HydrophobicContact CB-CD1 3.97Å; K125-L128 HydrophobicContact CB-CG 4.19Å; K125-L128 HydrophobicContact CD-CD1 4.02Å; K125-L128 WeakPolarHBondContact O-CB 3.46Å; K125-L128 PolarHBondContact O-N 3.38Å; K125-T153 PolarHBondContact N-O 2.86Å
126	C	98.3	Very high	97.5	Very high	7 Å²	7	45.1 Å²	45.1	5%	0.047	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-8.3	177.1	75.9	0	0	0	0	113.9	I93 L128 K129 E152 T153	I93-C126 HydrophobicContact CD1-CB 4.42Å; C126-L128 VanDerWaalsContact C-N 3.26Å; C126-K129 WeakPolarHBondContact O-CE 3.43Å; C126-K129 WeakPolarHBondContact O-CG 3.47Å; C126-E152 HydrophobicContact CB-CB 4.21Å; C126-T153 PolarHBondContact N-O 2.89Å; C126-T153 PolarHBondContact SG-O 2.8Å; C126-T153 VanDerWaalsContact SG-O 3.33Å
127	D	98.2	Very high	97.9	Very high	38 Å²	38	47.9 Å²	47.9	20%	0.203	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-29.7	164.4	52.9	-75.8	0	0	0	112.5	K125 K129 S154 L156 D157	K125-D127 VanDerWaalsContact C-OD1 3.28Å; K125-D127 VanDerWaalsContact CA-OD1 3.24Å; K125-D127 WeakPolarHBondContact CA-OD1 3.24Å; K125-D127 PolarHBondContact O-N 2.9Å; K125-D127 VanDerWaalsContact O-N 3.12Å; D127-K129 PolarHBondContact O-N 3.23Å; D127-S154 VanDerWaalsContact CG-OG 3.29Å; D127-S154 VanDerWaalsContact OD1-CB 3.29Å; D127-S154 WeakPolarHBondContact OD1-CB 3.23Å; D127-S154 PolarHBondContact OD1-OG 3.42Å; D127-L156 HydrophobicContact CB-CD2 4.47Å; D127-D157 VanDerWaalsContact CB-OD2 3.3Å; D127-D157 WeakPolarHBondContact CB-OD2 3.35Å
128	L	97	Very high	98.1	Very high	42 Å²	42	50 Å²	50	22%	0.22	25%	0.25	C	C	.	.			trans	-80	38.8	176.9	-57.9	-179.3	0	0	0	113	K125 C126 H130 L131 R132	K125-L128 HydrophobicContact CB-CD1 3.97Å; K125-L128 HydrophobicContact CB-CG 4.19Å; K125-L128 HydrophobicContact CD-CD1 4.02Å; K125-L128 WeakPolarHBondContact O-CB 3.46Å; K125-L128 PolarHBondContact O-N 3.38Å; C126-L128 VanDerWaalsContact C-N 3.26Å; L128-H130 PolarHBondContact O-N 2.96Å; L128-H130 VanDerWaalsContact O-N 3.1Å; L128-L131 HydrophobicContact CB-CB 4.42Å; L128-L131 HydrophobicContact CD2-CD1 4.48Å; L128-L131 CarbonylContact O-C 3.5Å; L128-L131 WeakPolarHBondContact O-CA 3.44Å; L128-L131 PolarHBondContact O-N 3.16Å; L128-R132 PolarHBondContact O-N 3.3Å
129	K	95.6	Very high	98.1	Very high	145 Å²	145	48.3 Å²	48.3	63%	0.63	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-51.4	-39.2	-177.2	-58.1	-175.7	-177.9	171.1	0	112.8	C126 D127 L131 R132	C126-K129 WeakPolarHBondContact O-CE 3.43Å; C126-K129 WeakPolarHBondContact O-CG 3.47Å; D127-K129 PolarHBondContact O-N 3.23Å; K129-L131 PolarHBondContact O-N 3.24Å; K129-R132 WeakPolarHBondContact O-CB 3.42Å; K129-R132 PolarHBondContact O-N 3.44Å
130	H	97.1	Very high	98.1	Very high	151 Å²	151	50.8 Å²	50.8	70%	0.699	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-70	-17	180	68	-77.7	0	0	0	114	L128	L128-H130 PolarHBondContact O-N 2.96Å; L128-H130 VanDerWaalsContact O-N 3.1Å
131	L	97.8	Very high	98.1	Very high	90 Å²	90	57.2 Å²	57.2	47%	0.471	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-110.5	11.4	175.4	-56.9	176.4	0	0	0	112.2	S94 L128 K129 C133	S94-L131 WeakPolarHBondContact CA-O 3.36Å; S94-L131 WeakPolarHBondContact CB-O 3.22Å; L128-L131 HydrophobicContact CB-CB 4.42Å; L128-L131 HydrophobicContact CD2-CD1 4.48Å; L128-L131 CarbonylContact O-C 3.5Å; L128-L131 WeakPolarHBondContact O-CA 3.44Å; L128-L131 PolarHBondContact O-N 3.16Å; K129-L131 PolarHBondContact O-N 3.24Å; L131-C133 PolarHBondContact O-N 2.91Å; L131-C133 PolarHBondContact O-SG 2.77Å; L131-C133 VanDerWaalsContact O-SG 3.36Å
132	R	98.5	Very high	98.1	Very high	68 Å²	68	58 Å²	58	26%	0.257	29%	0.285	S	S	.	.			trans	-57.6	126.8	-178.9	177.8	178.9	-68.7	-87.7	7.4	110	I93 L128 K129 V134 T136 E152	I93-R132 HydrophobicContact CD1-CB 4.24Å; I93-R132 HydrophobicContact CD1-CG 4.34Å; L128-R132 PolarHBondContact O-N 3.3Å; K129-R132 WeakPolarHBondContact O-CB 3.42Å; K129-R132 PolarHBondContact O-N 3.44Å; R132-V134 WeakPolarHBondContact CD-O 3.29Å; R132-V134 WeakPolarHBondContact CG-O 3.42Å; R132-V134 PolarHBondContact NH1-O 2.85Å; R132-T136 PolarHBondContact NH1-OG1 3.39Å; R132-E152 IonicContact CZ-OE1 3.57Å; R132-E152 IonicContact CZ-OE2 3.47Å; R132-E152 IonicContact NH1-OE1 3.64Å; R132-E152 PolarHBondContact NH1-OE1 3.27Å; R132-E152 IonicContact NH1-OE2 3.74Å; R132-E152 IonicContact NH2-OE1 2.68Å; R132-E152 PolarHBondContact NH2-OE1 3.21Å; R132-E152 IonicContact NH2-OE2 3.37Å; R132-E152 PolarHBondContact NH2-OE2 2.95Å
133	C	98.2	Very high	98.1	Very high	79 Å²	79	58.2 Å²	58.2	53%	0.534	29%	0.286	S	S	.	.			trans	-120.7	-12.7	173.6	-62.9	0	0	0	0	112.7	I93 P96 L131	I93-C133 PolarHBondContact O-N 2.94Å; P96-C133 HydrophobicContact CG-CB 3.39Å; L131-C133 PolarHBondContact O-N 2.91Å; L131-C133 PolarHBondContact O-SG 2.77Å; L131-C133 VanDerWaalsContact O-SG 3.36Å
134	V	98.4	Very high	98.1	Very high	7 Å²	7	66.8 Å²	66.8	4%	0.042	32%	0.323	C	S	.	.	S	Bend	trans	-110.2	119.6	172.8	-175.5	0	0	0	0	109	Y91 I93 F99 R132	Y91-V134 HydrophobicContact CD2-CG2 4.47Å; Y91-V134 HydrophobicContact CE2-CB 3.95Å; Y91-V134 HydrophobicContact CE2-CG1 3.73Å; Y91-V134 HydrophobicContact CE2-CG2 4.25Å; I93-V134 PolarHBondContact O-N 3.42Å; F99-V134 HydrophobicContact CB-CG1 4.24Å; F99-V134 HydrophobicContact CB-CG2 3.85Å; F99-V134 HydrophobicContact CD1-CG1 4.15Å; F99-V134 HydrophobicContact CD2-CG1 3.82Å; F99-V134 HydrophobicContact CE1-CG1 4.49Å; F99-V134 HydrophobicContact CE2-CG1 4.21Å; F99-V134 HydrophobicContact CG-CG1 3.8Å; F99-V134 HydrophobicContact CG-CG2 4.3Å; R132-V134 WeakPolarHBondContact CD-O 3.29Å; R132-V134 WeakPolarHBondContact CG-O 3.42Å; R132-V134 PolarHBondContact NH1-O 2.85Å
135	L	97.8	Very high	98.1	Very high	94 Å²	94	73.3 Å²	73.3	49%	0.492	35%	0.354	S	S	.	.			trans	-71	141	177.7	-63.1	179.5	0	0	0	110.6	E137 D138 A139	L135-E137 PolarHBondContact O-N 3.1Å; L135-D138 HydrophobicContact CB-CB 4.47Å; L135-D138 PolarHBondContact O-N 2.84Å; L135-D138 VanDerWaalsContact O-N 3.16Å; L135-A139 PolarHBondContact O-N 3.27Å
136	T	98.2	Very high	98	Very high	43 Å²	43	74 Å²	74	26%	0.264	36%	0.358	S	S	.	.	H	α-helix	trans	-60.9	-33.1	178.1	-54.4	0	0	0	0	110.8	R132 A139 T140 F150 E152	R132-T136 PolarHBondContact NH1-OG1 3.39Å; T136-A139 PolarHBondContact O-N 2.78Å; T136-T140 WeakPolarHBondContact O-CB 3.38Å; T136-T140 PolarHBondContact O-N 3.04Å; T136-T140 PolarHBondContact O-OG1 3.28Å; T136-F150 HydrophobicContact CG2-CE1 3.91Å; T136-F150 HydrophobicContact CG2-CZ 4.29Å; T136-E152 WeakPolarHBondContact CB-OE1 3.01Å; T136-E152 HydrophobicContact CG2-CG 4.43Å; T136-E152 VanDerWaalsContact OG1-CD 3.32Å; T136-E152 PolarHBondContact OG1-OE1 2.91Å; T136-E152 PolarHBondContact OG1-OE2 3.16Å
137	E	98.3	Very high	97.9	Very high	121 Å²	121	77.1 Å²	77.1	57%	0.565	39%	0.39	S	S	*	.	H	α-helix	trans	-64.8	-39.2	177.1	-64.1	73.6	-161.9	0	0	112.3	L135 T140 R141	L135-E137 PolarHBondContact O-N 3.1Å; E137-T140 PolarHBondContact O-N 3Å; E137-R141 WeakPolarHBondContact O-CB 3.29Å; E137-R141 PolarHBondContact O-N 3.39Å
138	D	98.3	Very high	97.9	Very high	61 Å²	61	76.4 Å²	76.4	33%	0.326	39%	0.387	S	S	.	.	H	α-helix	trans	-69.4	-41.4	178.5	-70.2	-32.7	0	0	0	111	L135 R141 Y142	L135-D138 HydrophobicContact CB-CB 4.47Å; L135-D138 PolarHBondContact O-N 2.84Å; L135-D138 VanDerWaalsContact O-N 3.16Å; D138-R141 PolarHBondContact O-N 2.99Å; D138-R141 IonicContact OD1-CZ 3.92Å; D138-R141 IonicContact OD1-NH1 3.42Å; D138-R141 PolarHBondContact OD1-NH1 2.79Å; D138-R141 IonicContact OD1-NH2 2.72Å; D138-Y142 WeakPolarHBondContact O-CB 3.43Å; D138-Y142 PolarHBondContact O-N 3.29Å
139	A	98.4	Very high	98	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-66.5	-38.5	174.3	0	0	0	0	0	112.6	Y91 F99 L121 L135 T136 Y142 A143 F150	Y91-A139 HydrophobicContact CE1-CB 4.21Å; Y91-A139 WeakPolarHBondContact OH-CB 3.32Å; F99-A139 HydrophobicContact CE2-CB 3.79Å; F99-A139 HydrophobicContact CZ-CB 4.39Å; L121-A139 HydrophobicContact CD2-CB 4.49Å; L135-A139 PolarHBondContact O-N 3.27Å; T136-A139 PolarHBondContact O-N 2.78Å; A139-Y142 PolarHBondContact O-N 2.78Å; A139-A143 WeakPolarHBondContact O-CB 3.37Å; A139-A143 PolarHBondContact O-N 2.99Å; A139-F150 HydrophobicContact CB-CD2 4.45Å; A139-F150 HydrophobicContact CB-CE1 4.01Å; A139-F150 HydrophobicContact CB-CE2 3.74Å; A139-F150 HydrophobicContact CB-CZ 3.48Å; A139-F150 VanDerWaalsContact CB-CZ 3.48Å
140	T	98.6	Very high	98.1	Very high	69 Å²	69	72.1 Å²	72.1	42%	0.423	37%	0.372	S	S	.	.	H	α-helix	trans	-62.5	-44.1	173.5	-58.5	0	0	0	0	111	T136 E137 A143 K144 F150	T136-T140 WeakPolarHBondContact O-CB 3.38Å; T136-T140 PolarHBondContact O-N 3.04Å; T136-T140 PolarHBondContact O-OG1 3.28Å; E137-T140 PolarHBondContact O-N 3Å; T140-A143 PolarHBondContact O-N 3.41Å; T140-K144 WeakPolarHBondContact O-CB 3.45Å; T140-K144 PolarHBondContact O-N 2.91Å; T140-F150 WeakPolarHBondContact OG1-CE1 3.34Å
141	R	98.6	Very high	98.2	Very high	137 Å²	137	66.5 Å²	66.5	52%	0.517	35%	0.347	S	S	.	.	H	α-helix	trans	-62.1	-45.4	176.6	-170.9	-174.1	-60.4	119.3	4.2	110.8	E137 D138 K144 Q145	E137-R141 WeakPolarHBondContact O-CB 3.29Å; E137-R141 PolarHBondContact O-N 3.39Å; D138-R141 PolarHBondContact O-N 2.99Å; D138-R141 IonicContact OD1-CZ 3.92Å; D138-R141 IonicContact OD1-NH1 3.42Å; D138-R141 PolarHBondContact OD1-NH1 2.79Å; D138-R141 IonicContact OD1-NH2 2.72Å; R141-K144 PolarHBondContact O-N 2.94Å; R141-Q145 WeakPolarHBondContact O-CB 3.11Å; R141-Q145 VanDerWaalsContact O-CG 3.29Å; R141-Q145 WeakPolarHBondContact O-CG 3.49Å; R141-Q145 PolarHBondContact O-N 3.44Å
142	Y	98.7	Very high	98.2	Very high	18 Å²	18	63.6 Å²	63.6	7%	0.071	33%	0.331	C	S	.	.	H	α-helix	trans	-58.6	-50	176.3	176.6	-85.1	0	0	0	111.6	F99 L102 N103 L121 D138 A139 K144 Q145 Q146 I148	F99-Y142 HydrophobicContact CE2-CG 4.45Å; F99-Y142 HydrophobicContact CZ-CD2 4.42Å; F99-Y142 HydrophobicContact CZ-CG 4.15Å; L102-Y142 HydrophobicContact CB-CE1 4.21Å; L102-Y142 HydrophobicContact CB-CE2 4.23Å; L102-Y142 WeakPolarHBondContact CB-OH 3.25Å; L102-Y142 HydrophobicContact CD1-CD1 4.32Å; L102-Y142 HydrophobicContact CD1-CE1 4.05Å; N103-Y142 PolarHBondContact N-OH 2.97Å; N103-Y142 VanDerWaalsContact OD1-CE2 3.3Å; N103-Y142 WeakPolarHBondContact OD1-CE2 3.41Å; N103-Y142 PolarHBondContact OD1-OH 3.38Å; L121-Y142 HydrophobicContact CD2-CD1 3.79Å; L121-Y142 HydrophobicContact CD2-CE1 4.35Å; D138-Y142 WeakPolarHBondContact O-CB 3.43Å; D138-Y142 PolarHBondContact O-N 3.29Å; A139-Y142 PolarHBondContact O-N 2.78Å; Y142-K144 VanDerWaalsContact C-N 3.32Å; Y142-K144 PolarHBondContact O-N 2.98Å; Y142-Q145 WeakPolarHBondContact O-CB 3.47Å; Y142-Q145 PolarHBondContact O-N 3.11Å; Y142-Q145 VanDerWaalsContact O-N 3.14Å; Y142-Q146 HydrophobicContact CD1-CG 4.23Å; Y142-Q146 HydrophobicContact CE1-CG 3.82Å; Y142-Q146 HydrophobicContact CE2-CG 4.23Å; Y142-Q146 WeakPolarHBondContact O-CG 3.5Å; Y142-Q146 PolarHBondContact O-N 3.14Å; Y142-I148 HydrophobicContact CE1-CD1 4.26Å
143	A	98.6	Very high	98.2	Very high	3 Å²	3	60.4 Å²	60.4	3%	0.025	32%	0.319	C	S	.	.	H	α-helix	trans	-60.3	-43.2	-179.7	0	0	0	0	0	112	L121 A139 T140 Q145 Q146 G147 I148 F150	L121-A143 HydrophobicContact CD2-CB 4.06Å; A139-A143 WeakPolarHBondContact O-CB 3.37Å; A139-A143 PolarHBondContact O-N 2.99Å; T140-A143 PolarHBondContact O-N 3.41Å; A143-Q145 PolarHBondContact O-N 3.41Å; A143-Q146 PolarHBondContact O-N 2.9Å; A143-G147 PolarHBondContact O-N 3.05Å; A143-I148 HydrophobicContact CB-CG1 4.05Å; A143-I148 PolarHBondContact O-N 3.22Å; A143-F150 HydrophobicContact CB-CB 3.53Å; A143-F150 HydrophobicContact CB-CG 4.3Å
144	K	98.3	Very high	98.2	Very high	181 Å²	181	56.6 Å²	56.6	79%	0.787	29%	0.293	S	S	*	.	H	α-helix	trans	-61.5	-42.5	174.6	-174.4	178.1	-179.3	177.9	0	112.4	T140 R141 Y142 Q146 G147	T140-K144 WeakPolarHBondContact O-CB 3.45Å; T140-K144 PolarHBondContact O-N 2.91Å; R141-K144 PolarHBondContact O-N 2.94Å; Y142-K144 VanDerWaalsContact C-N 3.32Å; Y142-K144 PolarHBondContact O-N 2.98Å; K144-Q146 VanDerWaalsContact C-N 3.3Å; K144-Q146 PolarHBondContact O-N 3Å; K144-G147 PolarHBondContact O-N 3.27Å
145	Q	98	Very high	98.2	Very high	139 Å²	139	56.4 Å²	56.4	65%	0.65	29%	0.292	S	S	*	.	H	α-helix	trans	-63.7	-36.5	177.3	-76.5	172.6	-18.3	0	0	112.3	R141 Y142 A143	R141-Q145 WeakPolarHBondContact O-CB 3.11Å; R141-Q145 VanDerWaalsContact O-CG 3.29Å; R141-Q145 WeakPolarHBondContact O-CG 3.49Å; R141-Q145 PolarHBondContact O-N 3.44Å; Y142-Q145 WeakPolarHBondContact O-CB 3.47Å; Y142-Q145 PolarHBondContact O-N 3.11Å; Y142-Q145 VanDerWaalsContact O-N 3.14Å; A143-Q145 PolarHBondContact O-N 3.41Å
146	Q	96.8	Very high	98.2	Very high	62 Å²	62	55.4 Å²	55.4	29%	0.29	29%	0.287	S	S	.	.	H	α-helix	trans	-85.4	-8.4	179.2	-62.4	-57.2	-31.2	0	0	113.7	L106 Y142 A143 K144 I148	L106-Q146 HydrophobicContact CD2-CB 4.04Å; L106-Q146 HydrophobicContact CD2-CG 3.71Å; L106-Q146 VanDerWaalsContact CD2-OE1 3.31Å; Y142-Q146 HydrophobicContact CD1-CG 4.23Å; Y142-Q146 HydrophobicContact CE1-CG 3.82Å; Y142-Q146 HydrophobicContact CE2-CG 4.23Å; Y142-Q146 WeakPolarHBondContact O-CG 3.5Å; Y142-Q146 PolarHBondContact O-N 3.14Å; A143-Q146 PolarHBondContact O-N 2.9Å; K144-Q146 VanDerWaalsContact C-N 3.3Å; K144-Q146 PolarHBondContact O-N 3Å; Q146-I148 HydrophobicContact CB-CD1 4.07Å; Q146-I148 HydrophobicContact CB-CG1 4.04Å; Q146-I148 HydrophobicContact CB-CG2 4.22Å
147	G	96.8	Very high	98.2	Very high	71 Å²	71	57.8 Å²	57.8	73%	0.732	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	31.5	-176.9	0	0	0	0	0	113.6	A143 K144	A143-G147 PolarHBondContact O-N 3.05Å; K144-G147 PolarHBondContact O-N 3.27Å
148	I	97.5	Very high	98.1	Very high	24 Å²	24	54.7 Å²	54.7	12%	0.123	29%	0.29	C	S	.	.			trans	-117.1	155.9	-176.8	67	-178.9	0	0	0	111	I119 L121 Y142 A143 Q146	I119-I148 HydrophobicContact CB-CB 4.13Å; I119-I148 HydrophobicContact CB-CG2 3.68Å; I119-I148 HydrophobicContact CD1-CG2 4.25Å; I119-I148 HydrophobicContact CG1-CG2 4.47Å; I119-I148 HydrophobicContact CG2-CB 4.23Å; I119-I148 HydrophobicContact CG2-CD1 4.12Å; I119-I148 HydrophobicContact CG2-CG2 3.97Å; L121-I148 HydrophobicContact CB-CD1 3.95Å; L121-I148 HydrophobicContact CB-CG1 4.42Å; Y142-I148 HydrophobicContact CE1-CD1 4.26Å; A143-I148 HydrophobicContact CB-CG1 4.05Å; A143-I148 PolarHBondContact O-N 3.22Å; Q146-I148 HydrophobicContact CB-CD1 4.07Å; Q146-I148 HydrophobicContact CB-CG1 4.04Å; Q146-I148 HydrophobicContact CB-CG2 4.22Å
149	S	98.4	Very high	98.2	Very high	49 Å²	49	54.5 Å²	54.5	34%	0.343	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	156.2	175.7	-65.8	0	0	0	0	111	I119 L121	I119-S149 PolarHBondContact O-N 3.11Å; L121-S149 WeakPolarHBondContact CB-O 3.25Å; L121-S149 PolarHBondContact N-O 3.26Å
150	F	98.7	Very high	98.2	Very high	48 Å²	48	57.5 Å²	57.5	21%	0.211	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	140.3	178.7	169.8	-120.7	0	0	0	112.7	Y91 L121 T136 A139 T140 A143 E152	Y91-F150 HydrophobicContact CE1-CE2 4.21Å; L121-F150 HydrophobicContact CB-CB 4.36Å; L121-F150 HydrophobicContact CB-CD2 4.04Å; L121-F150 HydrophobicContact CD2-CD2 3.7Å; L121-F150 HydrophobicContact CD2-CE2 4.26Å; L121-F150 HydrophobicContact CD2-CG 4.35Å; L121-F150 HydrophobicContact CG-CD2 3.77Å; L121-F150 HydrophobicContact CG-CE2 4.37Å; L121-F150 WeakPolarHBondContact O-CA 3.45Å; L121-F150 WeakPolarHBondContact O-CD2 3.25Å; T136-F150 HydrophobicContact CG2-CE1 3.91Å; T136-F150 HydrophobicContact CG2-CZ 4.29Å; A139-F150 HydrophobicContact CB-CD2 4.45Å; A139-F150 HydrophobicContact CB-CE1 4.01Å; A139-F150 HydrophobicContact CB-CE2 3.74Å; A139-F150 HydrophobicContact CB-CZ 3.48Å; A139-F150 VanDerWaalsContact CB-CZ 3.48Å; T140-F150 WeakPolarHBondContact OG1-CE1 3.34Å; A143-F150 HydrophobicContact CB-CB 3.53Å; A143-F150 HydrophobicContact CB-CG 4.3Å; F150-E152 HydrophobicContact CE1-CG 4.39Å; F150-E152 HydrophobicContact CE2-CG 4.13Å; F150-E152 HydrophobicContact CZ-CG 3.57Å
151	M	98.6	Very high	98.2	Very high	32 Å²	32	54.3 Å²	54.3	16%	0.158	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	146.3	171.6	-169.7	167.3	-81.8	0	0	110.6	M120 L121 I122 G123 T153 N160 E163 A164	M120-M151 HydrophobicContact SD-CB 4.28Å; L121-M151 PolarHBondContact O-N 3.25Å; I122-M151 VanDerWaalsContact CA-O 3.31Å; I122-M151 WeakPolarHBondContact CA-O 3.42Å; G123-M151 PolarHBondContact N-O 3.31Å; M151-T153 HydrophobicContact CG-CG2 4.46Å; M151-N160 HydrophobicContact CG-CB 3.86Å; M151-N160 HydrophobicContact SD-CB 3.63Å; M151-E163 HydrophobicContact CE-CB 4.28Å; M151-E163 HydrophobicContact CE-CG 3.8Å; M151-E163 HydrophobicContact SD-CB 4.06Å; M151-E163 HydrophobicContact SD-CG 4.25Å; M151-A164 HydrophobicContact CB-CB 4.42Å; M151-A164 HydrophobicContact CG-CB 4.49Å; M151-A164 HydrophobicContact SD-CB 3.69Å
152	E	98.7	Very high	98.1	Very high	30 Å²	30	53.4 Å²	53.4	14%	0.14	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	140.7	166	-66.6	-168.7	163.5	0	0	110.5	G123 C126 R132 T136 F150 N160	G123-E152 CarbonylContact O-C 3.56Å; G123-E152 VanDerWaalsContact O-CA 3.23Å; G123-E152 WeakPolarHBondContact O-CA 3.41Å; C126-E152 HydrophobicContact CB-CB 4.21Å; R132-E152 IonicContact CZ-OE1 3.57Å; R132-E152 IonicContact CZ-OE2 3.47Å; R132-E152 IonicContact NH1-OE1 3.64Å; R132-E152 PolarHBondContact NH1-OE1 3.27Å; R132-E152 IonicContact NH1-OE2 3.74Å; R132-E152 IonicContact NH2-OE1 2.68Å; R132-E152 PolarHBondContact NH2-OE1 3.21Å; R132-E152 IonicContact NH2-OE2 3.37Å; R132-E152 PolarHBondContact NH2-OE2 2.95Å; T136-E152 WeakPolarHBondContact CB-OE1 3.01Å; T136-E152 HydrophobicContact CG2-CG 4.43Å; T136-E152 VanDerWaalsContact OG1-CD 3.32Å; T136-E152 PolarHBondContact OG1-OE1 2.91Å; T136-E152 PolarHBondContact OG1-OE2 3.16Å; F150-E152 HydrophobicContact CE1-CG 4.39Å; F150-E152 HydrophobicContact CE2-CG 4.13Å; F150-E152 HydrophobicContact CZ-CG 3.57Å; E152-N160 VanDerWaalsContact O-CB 3.25Å; E152-N160 WeakPolarHBondContact O-CB 3.34Å; E152-N160 PolarHBondContact O-ND2 2.89Å
153	T	98.8	Very high	98.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	159.5	-176.8	63.7	0	0	0	0	111.8	L27 I122 G123 N124 K125 C126 M151 I159 N160 A164	L27-T153 WeakPolarHBondContact CD2-OG1 3.4Å; I122-T153 HydrophobicContact CD1-CG2 4.25Å; I122-T153 HydrophobicContact CG2-CG2 3.75Å; I122-T153 WeakPolarHBondContact CG2-OG1 3.38Å; G123-T153 PolarHBondContact O-N 3.25Å; N124-T153 CarbonylContact C-O 3.59Å; N124-T153 WeakPolarHBondContact CA-O 3.44Å; N124-T153 PolarHBondContact OD1-O 3.36Å; N124-T153 PolarHBondContact OD1-OG1 3.4Å; K125-T153 PolarHBondContact N-O 2.86Å; C126-T153 PolarHBondContact N-O 2.89Å; C126-T153 PolarHBondContact SG-O 2.8Å; C126-T153 VanDerWaalsContact SG-O 3.33Å; M151-T153 HydrophobicContact CG-CG2 4.46Å; T153-I159 VanDerWaalsContact CA-O 3.23Å; T153-I159 WeakPolarHBondContact CA-O 3.44Å; T153-I159 WeakPolarHBondContact CB-O 3.41Å; T153-N160 HydrophobicContact CG2-CB 3.98Å; T153-A164 HydrophobicContact CG2-CB 4.13Å
154	S	98.5	Very high	98.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-129.2	114.6	162.3	176.2	0	0	0	0	108.6	D127 L156 D157 S158 I159 V161	D127-S154 VanDerWaalsContact CG-OG 3.29Å; D127-S154 VanDerWaalsContact OD1-CB 3.29Å; D127-S154 WeakPolarHBondContact OD1-CB 3.23Å; D127-S154 PolarHBondContact OD1-OG 3.42Å; S154-L156 PolarHBondContact O-N 3.47Å; S154-L156 PolarHBondContact OG-N 3.39Å; S154-D157 PolarHBondContact OG-N 2.92Å; S154-S158 CarbonylContact O-C 3.36Å; S154-S158 VanDerWaalsContact O-CA 3.24Å; S154-S158 WeakPolarHBondContact O-CA 3.05Å; S154-S158 PolarHBondContact O-N 3.43Å; S154-I159 PolarHBondContact N-O 3.41Å; S154-I159 PolarHBondContact O-N 2.83Å; S154-V161 WeakPolarHBondContact O-CG2 3.45Å
155	A	97.9	Very high	98.1	Very high	2 Å²	2	48.9 Å²	48.9	2%	0.017	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-27.3	169.8	0	0	0	0	0	112.4	N26 L27 R30 F36 N124	N26-A155 HydrophobicContact CB-CB 3.85Å; L27-A155 HydrophobicContact CD2-CB 4.01Å; L27-A155 HydrophobicContact CG-CB 4.29Å; R30-A155 PolarHBondContact NE-O 3.38Å; R30-A155 PolarHBondContact NH2-O 3.31Å; F36-A155 HydrophobicContact CD2-CB 3.98Å; F36-A155 WeakPolarHBondContact CD2-O 3.31Å; F36-A155 HydrophobicContact CE2-CB 4.18Å; N124-A155 PolarHBondContact OD1-N 3.17Å
156	L	97.6	Very high	98.1	Very high	74 Å²	74	43.4 Å²	43.4	39%	0.387	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-58.5	177.9	174.7	62.1	0	0	0	110.1	R30 F36 D127 S154 S158	R30-L156 PolarHBondContact NH2-O 3.37Å; R30-L156 VanDerWaalsContact NH2-O 3.12Å; F36-L156 HydrophobicContact CD1-CD1 3.79Å; F36-L156 HydrophobicContact CD2-CB 4.4Å; F36-L156 HydrophobicContact CE1-CB 4.38Å; F36-L156 HydrophobicContact CE1-CD1 3.49Å; F36-L156 VanDerWaalsContact CE1-CD1 3.49Å; F36-L156 HydrophobicContact CE1-CG 4.49Å; F36-L156 HydrophobicContact CE2-CB 3.94Å; F36-L156 HydrophobicContact CG-CD1 4.45Å; F36-L156 HydrophobicContact CZ-CB 3.94Å; F36-L156 HydrophobicContact CZ-CD1 3.9Å; F36-L156 HydrophobicContact CZ-CG 4.45Å; D127-L156 HydrophobicContact CB-CD2 4.47Å; S154-L156 PolarHBondContact O-N 3.47Å; S154-L156 PolarHBondContact OG-N 3.39Å; L156-S158 VanDerWaalsContact C-N 3.27Å; L156-S158 PolarHBondContact O-N 3.33Å
157	D	97.6	Very high	98.2	Very high	93 Å²	93	43.4 Å²	43.4	50%	0.497	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	2.8	-175.5	-67.5	-12.5	0	0	0	113.1	D127 S154 I159	D127-D157 VanDerWaalsContact CB-OD2 3.3Å; D127-D157 WeakPolarHBondContact CB-OD2 3.35Å; S154-D157 PolarHBondContact OG-N 2.92Å; D157-I159 HydrophobicContact CB-CD1 3.76Å; D157-I159 HydrophobicContact CB-CG1 3.81Å; D157-I159 PolarHBondContact O-N 2.93Å
158	S	97.4	Very high	98.3	Very high	56 Å²	56	40 Å²	40	39%	0.392	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	25.7	-176.1	-138.6	0	0	0	0	114.2	R30 S154 L156 N160	R30-S158 VanDerWaalsContact CD-OG 3.3Å; R30-S158 WeakPolarHBondContact CD-OG 3.4Å; S154-S158 CarbonylContact O-C 3.36Å; S154-S158 VanDerWaalsContact O-CA 3.24Å; S154-S158 WeakPolarHBondContact O-CA 3.05Å; S154-S158 PolarHBondContact O-N 3.43Å; L156-S158 VanDerWaalsContact C-N 3.27Å; L156-S158 PolarHBondContact O-N 3.33Å; S158-N160 PolarHBondContact O-N 2.96Å
159	I	98.6	Very high	98.3	Very high	57 Å²	57	38.9 Å²	38.9	29%	0.292	20%	0.202	S	C	.	.	B	Isolated β-bridge	trans	-76	123.7	-179.6	-62.7	169.5	0	0	0	109.1	T153 S154 D157 V161	T153-I159 VanDerWaalsContact CA-O 3.23Å; T153-I159 WeakPolarHBondContact CA-O 3.44Å; T153-I159 WeakPolarHBondContact CB-O 3.41Å; S154-I159 PolarHBondContact N-O 3.41Å; S154-I159 PolarHBondContact O-N 2.83Å; D157-I159 HydrophobicContact CB-CD1 3.76Å; D157-I159 HydrophobicContact CB-CG1 3.81Å; D157-I159 PolarHBondContact O-N 2.93Å; I159-V161 PolarHBondContact O-N 3.06Å
160	N	98.4	Very high	98.2	Very high	63 Å²	63	40.9 Å²	40.9	34%	0.337	20%	0.202	S	C	.	.	S	Bend	trans	59.1	5.7	171	-67.6	-11	0	0	0	116.1	M151 E152 T153 S158 E163 A164	M151-N160 HydrophobicContact CG-CB 3.86Å; M151-N160 HydrophobicContact SD-CB 3.63Å; E152-N160 VanDerWaalsContact O-CB 3.25Å; E152-N160 WeakPolarHBondContact O-CB 3.34Å; E152-N160 PolarHBondContact O-ND2 2.89Å; T153-N160 HydrophobicContact CG2-CB 3.98Å; S158-N160 PolarHBondContact O-N 2.96Å; N160-E163 PolarHBondContact O-N 2.84Å; N160-A164 WeakPolarHBondContact O-CB 3.37Å; N160-A164 PolarHBondContact O-N 3.43Å
161	V	98.6	Very high	98.1	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.012	20%	0.203	C	C	.	.	H	α-helix	trans	-64.2	-52.5	-177.8	179.5	0	0	0	0	110.3	L27 R30 F31 S154 I159 E163 A164 F165	L27-V161 HydrophobicContact CD2-CG1 4.31Å; L27-V161 HydrophobicContact CD2-CG2 3.9Å; R30-V161 HydrophobicContact CB-CG1 4.15Å; R30-V161 HydrophobicContact CG-CB 4.16Å; R30-V161 HydrophobicContact CG-CG1 3.91Å; R30-V161 HydrophobicContact CG-CG2 4.08Å; F31-V161 HydrophobicContact CB-CG1 4.03Å; S154-V161 WeakPolarHBondContact O-CG2 3.45Å; I159-V161 PolarHBondContact O-N 3.06Å; V161-E163 VanDerWaalsContact C-N 3.3Å; V161-E163 PolarHBondContact O-N 3.04Å; V161-A164 PolarHBondContact O-N 3.39Å; V161-F165 HydrophobicContact CG1-CD2 4.26Å; V161-F165 HydrophobicContact CG1-CE2 4.26Å; V161-F165 VanDerWaalsContact O-CD2 3.29Å; V161-F165 WeakPolarHBondContact O-CD2 3.4Å; V161-F165 PolarHBondContact O-N 3.01Å
162	E	97.8	Very high	98	Very high	118 Å²	118	39.1 Å²	39.1	55%	0.551	20%	0.196	S	C	*	.	H	α-helix	trans	-63.1	-38.4	179	-179.7	161	-158.3	0	0	112.1	N166	E162-N166 WeakPolarHBondContact CG-ND2 3.27Å; E162-N166 WeakPolarHBondContact O-CB 3.3Å; E162-N166 PolarHBondContact O-N 2.99Å; E162-N166 PolarHBondContact O-ND2 3.44Å
163	E	98.4	Very high	97.8	Very high	106 Å²	106	39 Å²	39	50%	0.495	20%	0.195	S	C	.	.	H	α-helix	trans	-65.1	-47.2	179.6	-165.2	176	170	0	0	112.2	M151 N160 V161 F165 N166 Q167	M151-E163 HydrophobicContact CE-CB 4.28Å; M151-E163 HydrophobicContact CE-CG 3.8Å; M151-E163 HydrophobicContact SD-CB 4.06Å; M151-E163 HydrophobicContact SD-CG 4.25Å; N160-E163 PolarHBondContact O-N 2.84Å; V161-E163 VanDerWaalsContact C-N 3.3Å; V161-E163 PolarHBondContact O-N 3.04Å; E163-F165 PolarHBondContact O-N 3.22Å; E163-N166 PolarHBondContact O-N 3.35Å; E163-Q167 VanDerWaalsContact O-CB 3.25Å; E163-Q167 WeakPolarHBondContact O-CB 3.23Å; E163-Q167 PolarHBondContact O-N 2.72Å
164	A	98.7	Very high	97.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-46.6	-179.6	0	0	0	0	0	112.4	I122 M151 T153 N160 V161 T168	I122-A164 HydrophobicContact CD1-CB 3.72Å; I122-A164 HydrophobicContact CG1-CB 4.4Å; M151-A164 HydrophobicContact CB-CB 4.42Å; M151-A164 HydrophobicContact CG-CB 4.49Å; M151-A164 HydrophobicContact SD-CB 3.69Å; T153-A164 HydrophobicContact CG2-CB 4.13Å; N160-A164 WeakPolarHBondContact O-CB 3.37Å; N160-A164 PolarHBondContact O-N 3.43Å; V161-A164 PolarHBondContact O-N 3.39Å; A164-T168 PolarHBondContact O-N 2.74Å; A164-T168 VanDerWaalsContact O-N 3.1Å; A164-T168 PolarHBondContact O-OG1 3.31Å
165	F	98.5	Very high	97.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-68.8	-45.3	178.7	-82.8	-99	0	0	0	111.7	L16 L27 F31 I64 I88 V161 E163 Q167 T168 I169	L16-F165 HydrophobicContact CD1-CZ 4.46Å; L16-F165 HydrophobicContact CD2-CE1 4.03Å; L16-F165 HydrophobicContact CD2-CZ 3.9Å; L27-F165 HydrophobicContact CB-CE2 4.28Å; L27-F165 HydrophobicContact CB-CZ 4.43Å; F31-F165 HydrophobicContact CB-CD1 4.32Å; F31-F165 HydrophobicContact CB-CD2 4Å; F31-F165 HydrophobicContact CB-CE1 4.39Å; F31-F165 HydrophobicContact CB-CE2 4.07Å; F31-F165 HydrophobicContact CB-CG 4.11Å; F31-F165 HydrophobicContact CB-CZ 4.26Å; F31-F165 HydrophobicContact CD1-CB 4.07Å; F31-F165 AromaticContact CD1-CD1 3.49Å; F31-F165 HydrophobicContact CD1-CD1 3.49Å; F31-F165 VanDerWaalsContact CD1-CD1 3.49Å; F31-F165 AromaticContact CD1-CE1 3.99Å; F31-F165 HydrophobicContact CD1-CE1 3.99Å; F31-F165 AromaticContact CD1-CG 3.78Å; F31-F165 HydrophobicContact CD1-CG 3.78Å; F31-F165 HydrophobicContact CD2-CB 3.49Å; F31-F165 VanDerWaalsContact CD2-CB 3.49Å; F31-F165 HydrophobicContact CD2-CD1 4.34Å; F31-F165 HydrophobicContact CD2-CD2 4.17Å; F31-F165 AromaticContact CD2-CG 3.76Å; F31-F165 HydrophobicContact CD2-CG 3.76Å; F31-F165 HydrophobicContact CE1-CB 3.93Å; F31-F165 AromaticContact CE1-CD1 3.76Å; F31-F165 HydrophobicContact CE1-CD1 3.76Å; F31-F165 HydrophobicContact CE1-CG 4.08Å; F31-F165 HydrophobicContact CE2-CB 3.34Å; F31-F165 HydrophobicContact CE2-CG 4.07Å; F31-F165 HydrophobicContact CG-CB 3.85Å; F31-F165 AromaticContact CG-CD1 3.79Å; F31-F165 HydrophobicContact CG-CD1 3.79Å; F31-F165 AromaticContact CG-CD2 3.98Å; F31-F165 HydrophobicContact CG-CD2 3.98Å; F31-F165 HydrophobicContact CG-CE1 4.29Å; F31-F165 HydrophobicContact CG-CE2 4.45Å; F31-F165 AromaticContact CG-CG 3.6Å; F31-F165 HydrophobicContact CG-CG 3.6Å; F31-F165 HydrophobicContact CZ-CB 3.56Å; F31-F165 HydrophobicContact CZ-CD1 4.3Å; F31-F165 HydrophobicContact CZ-CG 4.2Å; I64-F165 HydrophobicContact CD1-CD1 3.91Å; I64-F165 HydrophobicContact CD1-CE1 3.94Å; I64-F165 HydrophobicContact CG1-CD1 4.36Å; I64-F165 HydrophobicContact CG1-CE1 4.09Å; I64-F165 HydrophobicContact CG2-CE1 3.71Å; I64-F165 HydrophobicContact CG2-CZ 4.39Å; I88-F165 HydrophobicContact CD1-CD1 3.59Å; I88-F165 HydrophobicContact CD1-CD2 4.15Å; I88-F165 HydrophobicContact CD1-CE1 3.4Å; I88-F165 VanDerWaalsContact CD1-CE1 3.4Å; I88-F165 HydrophobicContact CD1-CE2 4.01Å; I88-F165 HydrophobicContact CD1-CG 3.98Å; I88-F165 HydrophobicContact CD1-CZ 3.64Å; V161-F165 HydrophobicContact CG1-CD2 4.26Å; V161-F165 HydrophobicContact CG1-CE2 4.26Å; V161-F165 VanDerWaalsContact O-CD2 3.29Å; V161-F165 WeakPolarHBondContact O-CD2 3.4Å; V161-F165 PolarHBondContact O-N 3.01Å; E163-F165 PolarHBondContact O-N 3.22Å; F165-Q167 VanDerWaalsContact C-N 3.31Å; F165-Q167 PolarHBondContact O-N 3.14Å; F165-T168 PolarHBondContact O-N 3.09Å; F165-I169 WeakPolarHBondContact O-CD1 3.42Å; F165-I169 VanDerWaalsContact O-CG1 3.22Å; F165-I169 WeakPolarHBondContact O-CG1 3.39Å; F165-I169 PolarHBondContact O-N 2.88Å
166	N	98	Very high	96.9	Very high	25 Å²	25	46.8 Å²	46.8	13%	0.134	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-38	178.5	-76.7	-25.6	0	0	0	112	E162 E163 I169 R170	E162-N166 WeakPolarHBondContact CG-ND2 3.27Å; E162-N166 WeakPolarHBondContact O-CB 3.3Å; E162-N166 PolarHBondContact O-N 2.99Å; E162-N166 PolarHBondContact O-ND2 3.44Å; E163-N166 PolarHBondContact O-N 3.35Å; N166-I169 PolarHBondContact O-N 2.88Å; N166-R170 WeakPolarHBondContact O-CB 3.24Å; N166-R170 VanDerWaalsContact O-CG 3.3Å; N166-R170 WeakPolarHBondContact O-CG 3.5Å; N166-R170 PolarHBondContact O-N 3.25Å
167	Q	98.4	Very high	96.3	Very high	61 Å²	61	46.3 Å²	46.3	29%	0.285	23%	0.232	S	C	.	.	H	α-helix	trans	-62.7	-46.2	175.2	-175.4	56.4	35.2	0	0	110.9	M120 E163 F165 I169 R170 D171	M120-Q167 HydrophobicContact CE-CB 4.1Å; M120-Q167 HydrophobicContact CE-CG 4.02Å; E163-Q167 VanDerWaalsContact O-CB 3.25Å; E163-Q167 WeakPolarHBondContact O-CB 3.23Å; E163-Q167 PolarHBondContact O-N 2.72Å; F165-Q167 VanDerWaalsContact C-N 3.31Å; F165-Q167 PolarHBondContact O-N 3.14Å; Q167-I169 PolarHBondContact O-N 2.94Å; Q167-R170 PolarHBondContact O-N 2.79Å; Q167-D171 VanDerWaalsContact NE2-CG 3.26Å; Q167-D171 PolarHBondContact NE2-OD1 3.45Å; Q167-D171 PolarHBondContact NE2-OD2 3.25Å; Q167-D171 WeakPolarHBondContact O-CB 3.39Å; Q167-D171 VanDerWaalsContact O-CG 3.24Å; Q167-D171 PolarHBondContact O-N 2.87Å
168	T	98.3	Very high	95.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59	-46.5	176.8	-56.9	0	0	0	0	111.4	I14 I88 I118 M120 A164 F165 R170 D171 I172	I14-T168 HydrophobicContact CD1-CG2 4.36Å; I88-T168 HydrophobicContact CG1-CG2 4.46Å; I118-T168 HydrophobicContact CG2-CG2 4.31Å; M120-T168 VanDerWaalsContact CB-OG1 3.28Å; M120-T168 WeakPolarHBondContact CB-OG1 3.29Å; A164-T168 PolarHBondContact O-N 2.74Å; A164-T168 VanDerWaalsContact O-N 3.1Å; A164-T168 PolarHBondContact O-OG1 3.31Å; F165-T168 PolarHBondContact O-N 3.09Å; T168-R170 PolarHBondContact O-N 3.45Å; T168-D171 PolarHBondContact O-N 2.77Å; T168-I172 HydrophobicContact CG2-CD1 4.11Å; T168-I172 WeakPolarHBondContact O-CD1 3.39Å; T168-I172 VanDerWaalsContact O-CG1 3.23Å; T168-I172 WeakPolarHBondContact O-CG1 3.32Å; T168-I172 PolarHBondContact O-N 3.35Å; T168-I172 VanDerWaalsContact O-N 3.07Å
169	I	97.9	Very high	94.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65	-39.2	179.2	-62.6	163.7	0	0	0	111.1	F12 I14 F31 V53 I55 V60 A62 F165 N166 Q167 Y173	F12-I169 HydrophobicContact CD2-CG2 3.96Å; F12-I169 HydrophobicContact CE2-CG2 4.27Å; I14-I169 HydrophobicContact CD1-CD1 4.41Å; I14-I169 HydrophobicContact CD1-CG1 3.56Å; F31-I169 HydrophobicContact CE1-CD1 4.27Å; F31-I169 HydrophobicContact CZ-CD1 3.87Å; V53-I169 HydrophobicContact CB-CD1 4.45Å; V53-I169 HydrophobicContact CB-CG2 4.5Å; V53-I169 HydrophobicContact CG2-CD1 3.77Å; I55-I169 HydrophobicContact CD1-CB 4.37Å; I55-I169 HydrophobicContact CD1-CG2 3.56Å; V60-I169 HydrophobicContact CB-CG2 4.41Å; V60-I169 HydrophobicContact CG1-CG2 3.96Å; A62-I169 HydrophobicContact CB-CD1 3.7Å; A62-I169 HydrophobicContact CB-CG1 4.22Å; F165-I169 WeakPolarHBondContact O-CD1 3.42Å; F165-I169 VanDerWaalsContact O-CG1 3.22Å; F165-I169 WeakPolarHBondContact O-CG1 3.39Å; F165-I169 PolarHBondContact O-N 2.88Å; N166-I169 PolarHBondContact O-N 2.88Å; Q167-I169 PolarHBondContact O-N 2.94Å; I169-Y173 WeakPolarHBondContact O-CB 3.23Å; I169-Y173 PolarHBondContact O-N 3.03Å
170	R	97.2	Very high	93.1	Very high	91 Å²	91	54.8 Å²	54.8	34%	0.343	27%	0.268	S	S	.	.	H	α-helix	trans	-64.4	-44.7	175.2	-77.7	-175.4	-126.3	132.2	-6.1	112	I55 N166 Q167 T168 I172 Y173 Y174	I55-R170 HydrophobicContact CD1-CB 4.49Å; I55-R170 HydrophobicContact CD1-CG 3.81Å; I55-R170 HydrophobicContact CG1-CG 4.19Å; I55-R170 HydrophobicContact CG2-CG 4.32Å; N166-R170 WeakPolarHBondContact O-CB 3.24Å; N166-R170 VanDerWaalsContact O-CG 3.3Å; N166-R170 WeakPolarHBondContact O-CG 3.5Å; N166-R170 PolarHBondContact O-N 3.25Å; Q167-R170 PolarHBondContact O-N 2.79Å; T168-R170 PolarHBondContact O-N 3.45Å; R170-I172 VanDerWaalsContact C-N 3.31Å; R170-I172 PolarHBondContact O-N 3.42Å; R170-Y173 WeakPolarHBondContact O-CB 3.42Å; R170-Y173 PolarHBondContact O-N 2.94Å; R170-Y173 VanDerWaalsContact O-N 3.13Å; R170-Y174 HydrophobicContact CB-CD2 4.34Å; R170-Y174 HydrophobicContact CB-CE2 4.16Å; R170-Y174 WeakPolarHBondContact O-CD2 3.37Å; R170-Y174 PolarHBondContact O-N 3.26Å
171	D	97	Very high	91.2	Very high	41 Å²	41	57.2 Å²	57.2	22%	0.219	29%	0.29	C	S	.	.	H	α-helix	trans	-61.8	-41.8	179.5	-69.6	-22.4	0	0	0	111.1	I118 Q167 T168 Y174 L175	I118-D171 HydrophobicContact CD1-CB 4.48Å; I118-D171 HydrophobicContact CG1-CB 4.5Å; I118-D171 HydrophobicContact CG2-CB 3.82Å; Q167-D171 VanDerWaalsContact NE2-CG 3.26Å; Q167-D171 PolarHBondContact NE2-OD1 3.45Å; Q167-D171 PolarHBondContact NE2-OD2 3.25Å; Q167-D171 WeakPolarHBondContact O-CB 3.39Å; Q167-D171 VanDerWaalsContact O-CG 3.24Å; Q167-D171 PolarHBondContact O-N 2.87Å; T168-D171 PolarHBondContact O-N 2.77Å; D171-Y174 PolarHBondContact O-N 2.72Å; D171-L175 WeakPolarHBondContact O-CB 3.45Å; D171-L175 PolarHBondContact O-N 2.98Å
172	I	95.9	Very high	89	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-60.7	-48	172	-62.9	161.8	0	0	0	110.8	F12 I14 V85 I118 T168 R170 Y174 L175 I176	F12-I172 HydrophobicContact CD1-CG2 4.07Å; F12-I172 HydrophobicContact CD2-CB 3.9Å; F12-I172 HydrophobicContact CD2-CD1 4.44Å; F12-I172 HydrophobicContact CD2-CG2 3.49Å; F12-I172 VanDerWaalsContact CD2-CG2 3.49Å; F12-I172 HydrophobicContact CE1-CG2 4.11Å; F12-I172 HydrophobicContact CE2-CB 3.9Å; F12-I172 HydrophobicContact CE2-CG2 3.54Å; F12-I172 HydrophobicContact CG-CG2 3.81Å; F12-I172 HydrophobicContact CZ-CG2 3.88Å; I14-I172 HydrophobicContact CD1-CD1 3.91Å; I14-I172 HydrophobicContact CG1-CD1 3.93Å; V85-I172 HydrophobicContact CB-CG2 4.12Å; V85-I172 HydrophobicContact CG2-CD1 4.38Å; V85-I172 HydrophobicContact CG2-CG2 3.82Å; I118-I172 HydrophobicContact CB-CG1 3.67Å; I118-I172 HydrophobicContact CG1-CB 4.48Å; I118-I172 HydrophobicContact CG1-CG1 3.77Å; I118-I172 HydrophobicContact CG2-CG1 4.16Å; T168-I172 HydrophobicContact CG2-CD1 4.11Å; T168-I172 WeakPolarHBondContact O-CD1 3.39Å; T168-I172 VanDerWaalsContact O-CG1 3.23Å; T168-I172 WeakPolarHBondContact O-CG1 3.32Å; T168-I172 PolarHBondContact O-N 3.35Å; T168-I172 VanDerWaalsContact O-N 3.07Å; R170-I172 VanDerWaalsContact C-N 3.31Å; R170-I172 PolarHBondContact O-N 3.42Å; I172-Y174 VanDerWaalsContact C-N 3.34Å; I172-Y174 PolarHBondContact O-N 2.88Å; I172-L175 PolarHBondContact O-N 3.12Å; I172-I176 HydrophobicContact CG2-CD1 3.65Å; I172-I176 HydrophobicContact CG2-CG1 4.42Å; I172-I176 WeakPolarHBondContact O-CG1 3.39Å; I172-I176 PolarHBondContact O-N 3.4Å
173	Y	95.4	Very high	86.6	Confident	29 Å²	29	61.8 Å²	61.8	11%	0.114	32%	0.315	C	S	.	.	H	α-helix	trans	-58.3	-46.1	-179.6	177.9	-99.3	0	0	0	111.9	L10 F12 I55 D56 K58 V60 I169 R170 S177	L10-Y173 HydrophobicContact CD1-CD2 3.61Å; L10-Y173 HydrophobicContact CD1-CE2 3.55Å; F12-Y173 HydrophobicContact CZ-CD2 4.24Å; I55-Y173 HydrophobicContact CG2-CD1 3.62Å; I55-Y173 HydrophobicContact CG2-CE1 3.9Å; I55-Y173 HydrophobicContact CG2-CG 4.05Å; D56-Y173 HydrophobicContact CB-CE1 4.42Å; K58-Y173 HydrophobicContact CB-CE2 4.46Å; V60-Y173 HydrophobicContact CG2-CD2 4.08Å; I169-Y173 WeakPolarHBondContact O-CB 3.23Å; I169-Y173 PolarHBondContact O-N 3.03Å; R170-Y173 WeakPolarHBondContact O-CB 3.42Å; R170-Y173 PolarHBondContact O-N 2.94Å; R170-Y173 VanDerWaalsContact O-N 3.13Å; Y173-S177 VanDerWaalsContact O-CB 3.23Å; Y173-S177 WeakPolarHBondContact O-CB 3.45Å; Y173-S177 PolarHBondContact O-N 3.07Å; Y173-S177 PolarHBondContact O-OG 3.33Å
174	Y	94.4	Very high	84.4	Confident	92 Å²	92	59.3 Å²	59.3	36%	0.361	30%	0.304	S	S	.	.	H	α-helix	trans	-73	-32	-179.3	-69.8	-55.6	0	0	0	113	D56 R170 D171 I172 K178	D56-Y174 PolarHBondContact OD1-OH 2.58Å; D56-Y174 WeakPolarHBondContact OD2-CE1 3.25Å; D56-Y174 PolarHBondContact OD2-OH 3Å; R170-Y174 HydrophobicContact CB-CD2 4.34Å; R170-Y174 HydrophobicContact CB-CE2 4.16Å; R170-Y174 WeakPolarHBondContact O-CD2 3.37Å; R170-Y174 PolarHBondContact O-N 3.26Å; D171-Y174 PolarHBondContact O-N 2.72Å; I172-Y174 VanDerWaalsContact C-N 3.34Å; I172-Y174 PolarHBondContact O-N 2.88Å; Y174-K178 VanDerWaalsContact O-CG 3.31Å; Y174-K178 WeakPolarHBondContact O-CG 3.38Å; Y174-K178 PolarHBondContact O-N 2.98Å
175	L	92.4	Very high	81.7	Confident	52 Å²	52	65.4 Å²	65.4	27%	0.272	34%	0.336	S	S	.	.	H	α-helix	trans	-62.7	-52.1	172.4	-177.5	67.3	0	0	0	110.7	D116 I118 D171 I172 S177 K178 H179	D116-L175 HydrophobicContact CB-CD2 4.3Å; D116-L175 VanDerWaalsContact O-CD2 3.31Å; D116-L175 WeakPolarHBondContact O-CD2 3.16Å; I118-L175 HydrophobicContact CD1-CB 4.49Å; I118-L175 HydrophobicContact CD1-CD2 3.81Å; I118-L175 HydrophobicContact CG1-CD2 4.01Å; D171-L175 WeakPolarHBondContact O-CB 3.45Å; D171-L175 PolarHBondContact O-N 2.98Å; I172-L175 PolarHBondContact O-N 3.12Å; L175-S177 VanDerWaalsContact C-N 3.34Å; L175-S177 PolarHBondContact O-N 2.91Å; L175-K178 PolarHBondContact O-N 3.42Å; L175-H179 PolarHBondContact O-CD2 2.62Å; L175-H179 PolarHBondContact O-N 2.96Å
176	I	88.5	Confident	79	Confident	21 Å²	21	73 Å²	73	11%	0.108	37%	0.372	C	S	.	.	H	α-helix	trans	-64.9	-38.9	-179.5	-65.8	171	0	0	0	111.2	F12 I172 K178 H179 M184	F12-I176 HydrophobicContact CD1-CD1 4.28Å; F12-I176 HydrophobicContact CE1-CD1 3.66Å; F12-I176 HydrophobicContact CZ-CD1 4.05Å; I172-I176 HydrophobicContact CG2-CD1 3.65Å; I172-I176 HydrophobicContact CG2-CG1 4.42Å; I172-I176 WeakPolarHBondContact O-CG1 3.39Å; I172-I176 PolarHBondContact O-N 3.4Å; I176-K178 VanDerWaalsContact C-N 3.26Å; I176-K178 PolarHBondContact O-N 2.93Å; I176-H179 CarbonylContact O-C 3.14Å; I176-H179 PolarHBondContact O-N 3.12Å; I176-M184 HydrophobicContact CD1-CE 3.7Å; I176-M184 HydrophobicContact CD1-SD 4.42Å
177	S	86	Confident	76.2	Confident	64 Å²	64	76.3 Å²	76.3	45%	0.448	39%	0.393	S	S	.	.	H	α-helix	trans	-65.6	-28.4	179.5	-61.8	0	0	0	0	113.1	Y173 L175	Y173-S177 VanDerWaalsContact O-CB 3.23Å; Y173-S177 WeakPolarHBondContact O-CB 3.45Å; Y173-S177 PolarHBondContact O-N 3.07Å; Y173-S177 PolarHBondContact O-OG 3.33Å; L175-S177 VanDerWaalsContact C-N 3.34Å; L175-S177 PolarHBondContact O-N 2.91Å
178	K	85.1	Confident	73.1	Confident	161 Å²	161	78.5 Å²	78.5	70%	0.7	41%	0.407	S	S	*	.	H	α-helix	trans	-77.9	-23.5	173.2	-72.9	174.4	-177.8	178.2	0	112.7	Y174 L175 I176 P180	Y174-K178 VanDerWaalsContact O-CG 3.31Å; Y174-K178 WeakPolarHBondContact O-CG 3.38Å; Y174-K178 PolarHBondContact O-N 2.98Å; L175-K178 PolarHBondContact O-N 3.42Å; I176-K178 VanDerWaalsContact C-N 3.26Å; I176-K178 PolarHBondContact O-N 2.93Å; K178-P180 VanDerWaalsContact C-CD 3.45Å; K178-P180 WeakPolarHBondContact O-CD 3.2Å
179	H	77.6	Confident	70.1	Confident	111 Å²	111	85.9 Å²	85.9	51%	0.514	44%	0.444	S	S	.	.			trans	-124.8	69.4	-177.4	-62.9	-71.5	0	0	0	111.8	L175 I176 S181 F182	L175-H179 PolarHBondContact O-CD2 2.62Å; L175-H179 PolarHBondContact O-N 2.96Å; I176-H179 CarbonylContact O-C 3.14Å; I176-H179 PolarHBondContact O-N 3.12Å; H179-S181 PolarHBondContact O-N 2.89Å; H179-F182 WeakPolarHBondContact O-CB 3.3Å; H179-F182 PolarHBondContact O-N 2.92Å; H179-F182 VanDerWaalsContact O-N 3.1Å
180	P	62	Low	67.1	Low	112 Å²	112	89 Å²	89	73%	0.727	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-8.6	-174.7	23.2	-32.4	0	0	0	115.2	K178 F182	K178-P180 VanDerWaalsContact C-CD 3.45Å; K178-P180 WeakPolarHBondContact O-CD 3.2Å; P180-F182 PolarHBondContact O-N 3.02Å
181	S	59.3	Low	64	Low	113 Å²	113	89.3 Å²	89.3	79%	0.79	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-4.4	169.9	42.1	0	0	0	0	113.8	H179 N183	H179-S181 PolarHBondContact O-N 2.89Å; S181-N183 PolarHBondContact O-N 3.32Å; S181-N183 VanDerWaalsContact O-N 3.14Å
182	F	53.2	Low	60.9	Low	72 Å²	72	93.6 Å²	93.6	32%	0.316	50%	0.502	S	S	.	.			trans	-75.4	97.4	175.6	-150	-98.5	0	0	0	110.9	V85 D116 H179 P180 M184	V85-F182 HydrophobicContact CG1-CE1 4.15Å; D116-F182 WeakPolarHBondContact OD2-CE2 3.24Å; D116-F182 WeakPolarHBondContact OD2-CZ 2.94Å; H179-F182 WeakPolarHBondContact O-CB 3.3Å; H179-F182 PolarHBondContact O-N 2.92Å; H179-F182 VanDerWaalsContact O-N 3.1Å; P180-F182 PolarHBondContact O-N 3.02Å; F182-M184 HydrophobicContact CD1-CG 3.89Å; F182-M184 HydrophobicContact CD1-SD 3.83Å; F182-M184 HydrophobicContact CE1-CG 4.41Å; F182-M184 HydrophobicContact CE1-SD 3.74Å; F182-M184 PolarHBondContact O-N 2.72Å
183	N	46.5	Very low	57.9	Low	144 Å²	144	99.6 Å²	99.6	77%	0.77	54%	0.535	S	S	*	.			trans	-72.6	91.7	178	-112	-22.2	0	0	0	110.5	S181 N185	S181-N183 PolarHBondContact O-N 3.32Å; S181-N183 VanDerWaalsContact O-N 3.14Å; N183-N185 PolarHBondContact O-N 2.67Å
184	M	51.6	Low	54.9	Low	54 Å²	54	105.5 Å²	105.5	27%	0.266	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.5	16.1	180	-81.2	-70.1	-108.2	0	0	115.5	L11 F12 V85 I176 F182	L11-M184 WeakPolarHBondContact O-CE 3.48Å; F12-M184 HydrophobicContact CD1-CE 3.59Å; F12-M184 HydrophobicContact CE1-CE 3.95Å; V85-M184 HydrophobicContact CB-CE 4.43Å; V85-M184 HydrophobicContact CG1-CE 3.74Å; V85-M184 HydrophobicContact CG1-SD 3.92Å; V85-M184 HydrophobicContact CG2-CE 4.05Å; I176-M184 HydrophobicContact CD1-CE 3.7Å; I176-M184 HydrophobicContact CD1-SD 4.42Å; F182-M184 HydrophobicContact CD1-CG 3.89Å; F182-M184 HydrophobicContact CD1-SD 3.83Å; F182-M184 HydrophobicContact CE1-CG 4.41Å; F182-M184 HydrophobicContact CE1-SD 3.74Å; F182-M184 PolarHBondContact O-N 2.72Å
185	N	43.2	Very low	52.1	Low	128 Å²	128	107 Å²	107	68%	0.684	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-4.9	-171.1	-74.7	-11.5	0	0	0	115.5	N183 T187	N183-N185 PolarHBondContact O-N 2.67Å; N185-T187 PolarHBondContact O-N 2.68Å
186	E	40.6	Very low	49.3	Very low	160 Å²	160	110 Å²	110	75%	0.748	60%	0.604	S	S	*	*			trans	-86.7	71.9	172.7	-70.7	-169.8	-173.6	0	0	110.8	N188	E186-N188 PolarHBondContact O-N 3Å
187	T	39.4	Very low	46.7	Very low	94 Å²	94	115 Å²	115	58%	0.577	63%	0.63	S	S	*	*			trans	-65.4	83.4	154	45.2	0	0	0	0	107.4	L11 N185 I189	L11-T187 HydrophobicContact CD2-CG2 3.89Å; N185-T187 PolarHBondContact O-N 2.68Å; T187-I189 VanDerWaalsContact C-N 3.27Å; T187-I189 PolarHBondContact O-N 3.34Å
188	N	33.6	Very low	44.2	Very low	108 Å²	108	120.7 Å²	120.7	58%	0.578	65%	0.649	S	S	*	*			trans	-64.3	96.4	167.6	-81	-49.2	0	0	0	107	E186 I190	E186-N188 PolarHBondContact O-N 3Å; N188-I190 VanDerWaalsContact C-N 3.33Å; N188-I190 PolarHBondContact O-N 3.5Å
189	I	34.8	Very low	41.7	Very low	154 Å²	154	120.3 Å²	120.3	79%	0.79	65%	0.65	S	S	*	*			trans	-58.4	99.7	169.3	-60.3	170.7	0	0	0	105.8	T187	T187-I189 VanDerWaalsContact C-N 3.27Å; T187-I189 PolarHBondContact O-N 3.34Å
190	I	36.1	Very low	39.6	Very low	65 Å²	65	118.7 Å²	118.7	33%	0.333	65%	0.649	S	S	.	*			trans	-68.4	126.3	170.2	-55.9	174.6	0	0	0	105.6	A79 Y80 N188 T192	A79-I190 VanDerWaalsContact O-CD1 3.27Å; A79-I190 WeakPolarHBondContact O-CD1 3.37Å; Y80-I190 HydrophobicContact CD1-CD1 4.46Å; N188-I190 VanDerWaalsContact C-N 3.33Å; N188-I190 PolarHBondContact O-N 3.5Å; I190-T192 PolarHBondContact O-N 3.16Å
191	P	31.5	Very low	38.1	Very low	98 Å²	98	120.6 Å²	120.6	64%	0.636	65%	0.653	S	S	*	*			trans	-63.3	117.2	-178.1	-12.1	24.6	0	0	0	108.5	N193	P191-N193 PolarHBondContact O-N 3.28Å
192	T	32	Very low	36.9	Very low	132 Å²	132	122.7 Å²	122.7	81%	0.81	65%	0.654	S	S	*	*			trans	-70.7	66.5	164.6	52.3	0	0	0	0	108.4	I190	I190-T192 PolarHBondContact O-N 3.16Å
193	N	32.1	Very low	35.8	Very low	128 Å²	128	128.4 Å²	128.4	68%	0.684	68%	0.679	S	S	*	*			trans	-126.2	98.4	173.2	-83.5	-12.9	0	0	0	108.2	P191 L195	P191-N193 PolarHBondContact O-N 3.28Å; N193-L195 PolarHBondContact O-N 2.98Å
194	N	33.9	Very low	35.1	Very low	152 Å²	152	130.2 Å²	130.2	81%	0.813	68%	0.683	S	S	*	*			trans	37.3	72.4	146.8	-61	-16.3	0	0	0	114.7	P196	N194-P196 WeakPolarHBondContact O-CD 3.34Å
195	L	34.2	Very low	34.2	Very low	124 Å²	124	133.3 Å²	133.3	65%	0.649	71%	0.71	S	S	*	*			trans	-68.4	112.4	152.5	-76	168.2	0	0	0	105.9	I76 N193 I197	I76-L195 HydrophobicContact CG1-CD1 3.95Å; N193-L195 PolarHBondContact O-N 2.98Å; L195-I197 PolarHBondContact O-N 3.22Å; L195-I197 VanDerWaalsContact O-N 3.13Å
196	P	33.5	Very low	33.7	Very low	114 Å²	114	131.1 Å²	131.1	74%	0.74	71%	0.71	S	S	*	*			trans	-59.8	124.4	-178.8	-16.7	30	0	0	0	107.7	N194 Q198	N194-P196 WeakPolarHBondContact O-CD 3.34Å; P196-Q198 PolarHBondContact O-N 2.94Å
197	I	35.2	Very low	33.2	Very low	127 Å²	127	132.9 Å²	132.9	65%	0.651	72%	0.715	S	S	*	*			trans	-63.9	90.4	170.4	-58.1	168.1	0	0	0	105.8	L195 E199	L195-I197 PolarHBondContact O-N 3.22Å; L195-I197 VanDerWaalsContact O-N 3.13Å; I197-E199 VanDerWaalsContact C-N 3.32Å; I197-E199 HydrophobicContact CG2-CG 4.34Å; I197-E199 PolarHBondContact O-N 3.25Å; I197-E199 VanDerWaalsContact O-N 3.11Å
198	Q	32.6	Very low	33.1	Very low	183 Å²	183	140 Å²	140	86%	0.855	73%	0.731	S	S	*	*			trans	-75.1	96.5	162.9	-111.5	175.6	-2.7	0	0	106	P196 P200	P196-Q198 PolarHBondContact O-N 2.94Å; Q198-P200 WeakPolarHBondContact O-CD 3.49Å
199	E	32.9	Very low	33.3	Very low	153 Å²	153	144.4 Å²	144.4	72%	0.715	75%	0.745	S	S	*	*			trans	-53.6	122.3	160.8	-71.8	-173.3	151.3	0	0	107.6	I197 N201	I197-E199 VanDerWaalsContact C-N 3.32Å; I197-E199 HydrophobicContact CG2-CG 4.34Å; I197-E199 PolarHBondContact O-N 3.25Å; I197-E199 VanDerWaalsContact O-N 3.11Å; E199-N201 PolarHBondContact O-N 3.21Å
200	P	32.8	Very low	33.6	Very low	77 Å²	77	147 Å²	147	50%	0.5	75%	0.751	S	S	.	*			trans	-64.7	113.9	174.4	25	-25.2	0	0	0	106.7	Q198 I202	Q198-P200 WeakPolarHBondContact O-CD 3.49Å; P200-I202 PolarHBondContact O-N 3.36Å
201	N	31.2	Very low	33.4	Very low	152 Å²	152	149.5 Å²	149.5	81%	0.813	77%	0.773	S	S	*	*			trans	-47	106	169.2	-97.1	-42.3	0	0	0	108.7	E199 K203	E199-N201 PolarHBondContact O-N 3.21Å; N201-K203 PolarHBondContact O-N 3.22Å
202	I	33.4	Very low	33.5	Very low	158 Å²	158	150.9 Å²	150.9	81%	0.81	78%	0.784	S	S	*	*			trans	-64.5	95.7	164.8	-61.2	171.7	0	0	0	104.7	P200 Q204	P200-I202 PolarHBondContact O-N 3.36Å; I202-Q204 VanDerWaalsContact C-N 3.29Å; I202-Q204 PolarHBondContact O-N 3.35Å
203	K	31	Very low	34.5	Very low	192 Å²	192	154.9 Å²	154.9	84%	0.835	81%	0.808	S	S	*	*			trans	-59.6	97.3	170.7	-75.1	-176.6	177.7	178.2	0	107	N201 S205	N201-K203 PolarHBondContact O-N 3.22Å; K203-S205 PolarHBondContact O-N 2.87Å
204	Q	31.1	Very low	34.6	Very low	181 Å²	181	156.2 Å²	156.2	85%	0.846	81%	0.814	S	S	*	*			trans	-55.8	111.1	162.2	-75.1	178.8	-6.8	0	0	106.9	I202 A206	I202-Q204 VanDerWaalsContact C-N 3.29Å; I202-Q204 PolarHBondContact O-N 3.35Å; Q204-A206 PolarHBondContact O-N 3.1Å
205	S	32.6	Very low	34.7	Very low	119 Å²	119	156.4 Å²	156.4	83%	0.832	81%	0.814	S	S	*	*			trans	-65.8	83.9	173.1	40.6	0	0	0	0	109.3	K203	K203-S205 PolarHBondContact O-N 2.87Å
206	A	32.5	Very low	34.7	Very low	83 Å²	83	158.2 Å²	158.2	69%	0.686	82%	0.823	S	S	*	*			trans	-76.4	147.4	160.2	0	0	0	0	0	109.8	Q204	Q204-A206 PolarHBondContact O-N 3.1Å
207	K	31.6	Very low	34.8	Very low	196 Å²	196	160.8 Å²	160.8	85%	0.852	83%	0.828	S	S	*	*			trans	93	115.6	178.6	-54.9	172.7	-179	-178.2	0	111.6
208	R	35.9	Very low	34.7	Very low	244 Å²	244	162.9 Å²	162.9	92%	0.921	84%	0.839	S	S	*	*				-137.6	121.2	66.7	-68.1	175.7	-177.7	-176	-1.8	112.7
209	K	38.4	Very low	34.9	Very low	201 Å²	201	161.6 Å²	161.6	87%	0.874	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-70.1	128.5	158.7	-69.3	-179.7	174.2	-175.6	0	107.7
210	F	41.8	Very low	35	Very low	208 Å²	208	162.2 Å²	162.2	91%	0.912	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-90.5	125.9	161.7	-125	-95.8	0	0	0	107.7
211	C	31.7	Very low	35.2	Very low	117 Å²	117	168.8 Å²	168.8	79%	0.791	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-75.4	155.3	-175.5	-84.8	0	0	0	0	112.9
212	C	32.3	Very low	35.5	Very low	128 Å²	128	170.2 Å²	170.2	87%	0.865	88%	0.879	S	S	*	*	P	Polyproline II helix	trans	-68.2	132.4	172.9	-50.9	0	0	0	0	112.8
213	T	53.9	Low	35.7	Very low	215 Å²	215	171.3 Å²	171.3	100%	1.319	89%	0.885	S	S	*	*			trans	-159.5	0	133.6	26.4	0	0	0	0	107.3

Retrieved 213 of 213 residues in 52.2 ms (Link to these results)

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