A0A077ZDG8_TRITR Loading...

Putative mrna capping enzyme guanylyltransferase alpha subunit

AlphaFold DB , UniProt , Accession A0A077ZDG8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 145 aa.

						>A0A077ZDG8_TRITR|A0A077ZDG8
MSKRTWSQANNELGPPRRWLHCPRKGRVISAFFLPFKTPLGHRYDKMVPEENRFYPSMALKGGDSSDKEIGLWIDLTNTRRFYDKKEIEDAGVEYVKLNCKGFGECPSEEQVQEFVRICKSFSERSDKIVGILPPFLFCQIPKKQ
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41	Very low	48.9	Very low	241 Å²	241	129.3 Å²	129.3	100%	1.187	65%	0.65	S	S	*	*				0	105	0	-94.8	179.8	-101	0	0	108.7	K3	M1-K3 PolarHBondContact O-N 3.1Å
2	S	56.7	Low	49.7	Very low	111 Å²	111	128.5 Å²	128.5	78%	0.776	64%	0.643	S	S	*	*			trans	-70.4	112	178.5	178.5	0	0	0	0	109.5	R4	S2-R4 PolarHBondContact O-N 2.92Å
3	K	50.8	Low	51.9	Low	196 Å²	196	125.6 Å²	125.6	85%	0.852	63%	0.63	S	S	*	*			trans	-74.1	77.7	169.4	-69.3	-179.6	178.5	178.4	0	107.7	M1 T5	M1-K3 PolarHBondContact O-N 3.1Å; K3-T5 PolarHBondContact O-N 2.68Å; K3-T5 VanDerWaalsContact O-N 3.08Å
4	R	42.4	Very low	54.3	Low	145 Å²	145	118.1 Å²	118.1	55%	0.547	60%	0.6	S	S	.	*			trans	-60.2	114.9	168.6	-107.2	-172	-87.7	-158.5	1	107.4	S2 E12	S2-R4 PolarHBondContact O-N 2.92Å; R4-E12 IonicContact CZ-OE1 3.82Å; R4-E12 IonicContact NH1-OE1 2.79Å; R4-E12 PolarHBondContact NH1-OE1 3.49Å; R4-E12 IonicContact NH1-OE2 3.79Å; R4-E12 PolarHBondContact NH1-OE2 2.92Å
5	T	49.5	Very low	56.6	Low	73 Å²	73	112.5 Å²	112.5	45%	0.448	58%	0.575	S	S	.	*			trans	-68.6	144.5	173.1	39.5	0	0	0	0	109.3	K3 S7 Q8 A9	K3-T5 PolarHBondContact O-N 2.68Å; K3-T5 VanDerWaalsContact O-N 3.08Å; T5-S7 PolarHBondContact O-N 3.41Å; T5-S7 PolarHBondContact OG1-OG 2.75Å; T5-Q8 WeakPolarHBondContact O-CB 3.28Å; T5-Q8 PolarHBondContact O-N 2.7Å; T5-Q8 PolarHBondContact OG1-OE1 2.98Å; T5-A9 PolarHBondContact O-N 3.14Å
6	W	52	Low	58.6	Low	240 Å²	240	105.9 Å²	105.9	91%	0.909	54%	0.542	S	S	*	.	H	α-helix	trans	-50.6	-30.3	179.8	-71.4	98.7	0	0	0	113.8	N10	W6-N10 PolarHBondContact O-N 3.38Å
7	S	49.7	Very low	60.1	Low	88 Å²	88	111.8 Å²	111.8	62%	0.615	56%	0.556	S	S	*	*	H	α-helix	trans	-65.9	-37.9	174.5	55.7	0	0	0	0	113.7	T5	T5-S7 PolarHBondContact O-N 3.41Å; T5-S7 PolarHBondContact OG1-OG 2.75Å
8	Q	46.4	Very low	61.4	Low	105 Å²	105	112.6 Å²	112.6	49%	0.491	55%	0.551	S	S	.	*	H	α-helix	trans	-73	-41.2	-179.9	-72.3	173	-25	0	0	111.3	T5 N10 N11 E12	T5-Q8 WeakPolarHBondContact O-CB 3.28Å; T5-Q8 PolarHBondContact O-N 2.7Å; T5-Q8 PolarHBondContact OG1-OE1 2.98Å; Q8-N10 VanDerWaalsContact C-N 3.26Å; Q8-N10 PolarHBondContact O-N 2.9Å; Q8-N11 PolarHBondContact O-N 3.4Å; Q8-E12 PolarHBondContact O-N 2.91Å
9	A	50.1	Low	62.8	Low	46 Å²	46	106.9 Å²	106.9	38%	0.38	52%	0.523	S	S	.	.	H	α-helix	trans	-60.2	-34.9	178.8	0	0	0	0	0	112.8	T5 N11	T5-A9 PolarHBondContact O-N 3.14Å; A9-N11 VanDerWaalsContact C-N 3.34Å
10	N	48.9	Very low	64.1	Low	77 Å²	77	104.5 Å²	104.5	41%	0.412	51%	0.512	S	S	.	.	H	α-helix	trans	-75.3	-24.7	178	-154.8	29	0	0	0	112.8	W6 Q8	W6-N10 PolarHBondContact O-N 3.38Å; Q8-N10 VanDerWaalsContact C-N 3.26Å; Q8-N10 PolarHBondContact O-N 2.9Å
11	N	50.4	Low	65.3	Low	100 Å²	100	106.1 Å²	106.1	54%	0.535	52%	0.518	S	S	.	.	H	α-helix	trans	-80.1	-19.9	179.2	-139.5	28.6	0	0	0	112.8	Q8 A9 L13	Q8-N11 PolarHBondContact O-N 3.4Å; A9-N11 VanDerWaalsContact C-N 3.34Å; N11-L13 VanDerWaalsContact C-N 3.33Å
12	E	58.4	Low	67.5	Low	120 Å²	120	95 Å²	95	56%	0.561	46%	0.464	S	S	*	.	S	Bend	trans	-75.6	-21.3	174.5	-72.8	-176.6	-160.1	0	0	112.9	R4 Q8 G14	R4-E12 IonicContact CZ-OE1 3.82Å; R4-E12 IonicContact NH1-OE1 2.79Å; R4-E12 PolarHBondContact NH1-OE1 3.49Å; R4-E12 IonicContact NH1-OE2 3.79Å; R4-E12 PolarHBondContact NH1-OE2 2.92Å; Q8-E12 PolarHBondContact O-N 2.91Å; E12-G14 PolarHBondContact O-N 3.23Å
13	L	77.9	Confident	69.1	Low	91 Å²	91	94 Å²	94	48%	0.476	46%	0.455	S	S	.	.	S	Bend	trans	-76.1	98.2	175.9	-63.5	176.7	0	0	0	108.6	N11 Y44 R81	N11-L13 VanDerWaalsContact C-N 3.33Å; L13-Y44 WeakPolarHBondContact O-CE1 3.46Å; L13-R81 VanDerWaalsContact CB-NH1 3.34Å; L13-R81 PolarHBondContact O-NH1 2.84Å
14	G	86.6	Confident	71	Confident	20 Å²	20	89.6 Å²	89.6	21%	0.206	43%	0.433	C	S	.	.			trans	-59.3	-170.7	175.6	0	0	0	0	0	114.7	E12 M47 R81	E12-G14 PolarHBondContact O-N 3.23Å; G14-M47 VanDerWaalsContact CA-SD 3.53Å; G14-R81 PolarHBondContact O-NH1 2.84Å; G14-R81 PolarHBondContact O-NH2 3.31Å
15	P	88.7	Confident	73.4	Confident	35 Å²	35	84.3 Å²	84.3	23%	0.227	41%	0.414	C	S	.	.	S	Bend	trans	-57.2	159.2	178.3	26.5	-35.4	0	0	0	110.9	L40 V48	P15-L40 HydrophobicContact CB-CD1 3.69Å; P15-V48 HydrophobicContact CB-CG2 4.04Å; P15-V48 HydrophobicContact CG-CG2 4.09Å
16	P	88	Confident	75.3	Confident	7 Å²	7	82.4 Å²	82.4	5%	0.045	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-54.1	144.8	175.2	-16.3	24.2	0	0	0	112.2	R18 W19 L40 F82 L137	P16-R18 PolarHBondContact O-N 3.16Å; P16-W19 HydrophobicContact CB-CB 3.94Å; P16-W19 HydrophobicContact CB-CG 4.32Å; P16-W19 HydrophobicContact CG-CB 4.2Å; P16-W19 HydrophobicContact CG-CG 4.07Å; P16-W19 WeakPolarHBondContact O-CB 3.46Å; P16-W19 PolarHBondContact O-N 2.86Å; P16-L40 HydrophobicContact CG-CD2 4.33Å; P16-F82 HydrophobicContact CB-CZ 4.44Å; P16-F82 HydrophobicContact CG-CD1 4.29Å; P16-F82 HydrophobicContact CG-CE1 3.58Å; P16-F82 HydrophobicContact CG-CE2 4.44Å; P16-F82 HydrophobicContact CG-CZ 3.67Å; P16-L137 HydrophobicContact CB-CB 3.82Å; P16-L137 HydrophobicContact CB-CD1 3.95Å; P16-L137 HydrophobicContact CB-CD2 3.63Å; P16-L137 HydrophobicContact CB-CG 3.96Å; P16-L137 HydrophobicContact CG-CD2 3.67Å; P16-L137 HydrophobicContact CG-CG 4.5Å
17	R	84.2	Confident	77	Confident	206 Å²	206	81.3 Å²	81.3	78%	0.777	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	139.1	176.7	-68.7	-175.6	177	-124.4	1.1	109.9	W19 F138	R17-W19 PolarHBondContact O-N 2.67Å; R17-F138 HydrophobicContact CB-CE1 3.88Å; R17-F138 HydrophobicContact CB-CZ 4.48Å
18	R	83.9	Confident	79	Confident	126 Å²	126	79 Å²	79	48%	0.475	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	15.8	-179.5	-58.6	175.7	62.5	-161.9	5.3	115.1	P16 C22 F138 Q140	P16-R18 PolarHBondContact O-N 3.16Å; R18-C22 PolarHBondContact O-SG 3.18Å; R18-F138 HydrophobicContact CB-CD1 4.26Å; R18-F138 HydrophobicContact CG-CD1 4.32Å; R18-Q140 PolarHBondContact NH2-O 3.41Å
19	W	88.6	Confident	81.2	Confident	5 Å²	5	78.4 Å²	78.4	2%	0.019	39%	0.386	C	S	.	.			trans	-74.7	-33.2	-176.8	-177.4	91.8	0	0	0	115.3	P16 R17 H21 C22 K37 T38 L40 V48 N52 F54	P16-W19 HydrophobicContact CB-CB 3.94Å; P16-W19 HydrophobicContact CB-CG 4.32Å; P16-W19 HydrophobicContact CG-CB 4.2Å; P16-W19 HydrophobicContact CG-CG 4.07Å; P16-W19 WeakPolarHBondContact O-CB 3.46Å; P16-W19 PolarHBondContact O-N 2.86Å; R17-W19 PolarHBondContact O-N 2.67Å; W19-H21 PolarHBondContact O-N 3.31Å; W19-C22 WeakPolarHBondContact O-CB 3.45Å; W19-C22 PolarHBondContact O-N 3.11Å; W19-C22 VanDerWaalsContact O-N 3.15Å; W19-K37 HydrophobicContact CD2-CD 4.35Å; W19-K37 HydrophobicContact CZ2-CD 4.06Å; W19-K37 VanDerWaalsContact CZ2-CE 3.44Å; W19-K37 HydrophobicContact CZ2-CG 4.43Å; W19-K37 PolarHBondContact O-NZ 2.9Å; W19-T38 VanDerWaalsContact CE2-O 3.28Å; W19-T38 WeakPolarHBondContact CZ2-O 3.31Å; W19-T38 PolarHBondContact NE1-O 3.03Å; W19-L40 HydrophobicContact CD2-CD1 3.87Å; W19-L40 HydrophobicContact CD2-CG 4.49Å; W19-L40 HydrophobicContact CE3-CD1 3.89Å; W19-L40 HydrophobicContact CH2-CD1 3.73Å; W19-L40 HydrophobicContact CH2-CG 4.11Å; W19-L40 HydrophobicContact CZ2-CB 4.45Å; W19-L40 HydrophobicContact CZ2-CD1 3.66Å; W19-L40 HydrophobicContact CZ2-CG 3.65Å; W19-L40 HydrophobicContact CZ3-CD1 3.85Å; W19-V48 HydrophobicContact CH2-CG1 4.33Å; W19-V48 HydrophobicContact CZ3-CG1 3.69Å; W19-V48 HydrophobicContact CZ3-CG2 4.34Å; W19-N52 WeakPolarHBondContact CH2-O 3.44Å; W19-N52 VanDerWaalsContact CZ3-O 3.25Å; W19-N52 WeakPolarHBondContact CZ3-O 3.33Å; W19-F54 HydrophobicContact CH2-CB 3.95Å; W19-F54 HydrophobicContact CZ2-CB 3.92Å
20	L	88.7	Confident	83.1	Confident	57 Å²	57	81.1 Å²	81.1	30%	0.298	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-49.1	-168.1	-71.1	171.7	0	0	0	112.9	K37 V48 N52	L20-K37 PolarHBondContact O-NZ 3.49Å; L20-V48 HydrophobicContact CD2-CG1 4.03Å; L20-V48 HydrophobicContact CD2-CG2 4.47Å; L20-N52 HydrophobicContact CD2-CB 4.06Å; L20-N52 PolarHBondContact O-ND2 3.05Å; L20-N52 VanDerWaalsContact O-ND2 3.07Å
21	H	87.8	Confident	85.1	Confident	139 Å²	139	80.3 Å²	80.3	64%	0.644	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	5.8	-175.9	-53.3	-59.4	0	0	0	114.1	W19	W19-H21 PolarHBondContact O-N 3.31Å
22	C	88	Confident	87.2	Confident	7 Å²	7	77.3 Å²	77.3	5%	0.047	39%	0.388	C	S	.	.	S	Bend	trans	-66.9	135.7	169.3	-63.1	0	0	0	0	108.7	R18 W19 K37 C139	R18-C22 PolarHBondContact O-SG 3.18Å; W19-C22 WeakPolarHBondContact O-CB 3.45Å; W19-C22 PolarHBondContact O-N 3.11Å; W19-C22 VanDerWaalsContact O-N 3.15Å; C22-K37 HydrophobicContact CB-CB 4.29Å; C22-K37 HydrophobicContact CB-CD 3.64Å; C22-K37 WeakPolarHBondContact O-CD 3.34Å; C22-K37 WeakPolarHBondContact O-CE 3.36Å; C22-K37 PolarHBondContact O-NZ 3.34Å; C22-C139 HydrophobicContact CB-CB 4.18Å; C22-C139 VanDerWaalsContact SG-C 3.51Å; C22-C139 PolarHBondContact SG-O 2.94Å
23	P	90.2	Very high	89	Confident	91 Å²	91	74.1 Å²	74.1	59%	0.591	37%	0.373	S	S	*	.			trans	-54.1	144.4	169.6	-24.3	34	0	0	0	111	K37	P23-K37 WeakPolarHBondContact O-CD 3.41Å
24	R	91.6	Very high	89.7	Confident	103 Å²	103	70 Å²	70	39%	0.389	35%	0.351	S	S	.	.	S	Bend	trans	-61.1	-51.8	178.9	-69.9	-177.4	177.1	100.9	2.6	110.9	F36 K37 E51 R53 F54	R24-F36 WeakPolarHBondContact O-CA 3.3Å; R24-F36 WeakPolarHBondContact O-CB 3.48Å; R24-K37 PolarHBondContact O-N 3.49Å; R24-E51 PolarHBondContact NH2-O 3.25Å; R24-R53 PolarHBondContact NE-O 2.97Å; R24-R53 PolarHBondContact NH2-O 3.5Å; R24-F54 HydrophobicContact CB-CD1 4.3Å; R24-F54 HydrophobicContact CB-CD2 3.86Å; R24-F54 HydrophobicContact CB-CE1 4.24Å; R24-F54 HydrophobicContact CB-CE2 3.82Å; R24-F54 HydrophobicContact CB-CG 4.11Å; R24-F54 HydrophobicContact CB-CZ 4.01Å; R24-F54 HydrophobicContact CG-CB 4.09Å; R24-F54 HydrophobicContact CG-CD1 4.37Å; R24-F54 HydrophobicContact CG-CD2 3.73Å; R24-F54 HydrophobicContact CG-CE2 4.22Å; R24-F54 HydrophobicContact CG-CG 3.81Å; R24-F54 WeakPolarHBondContact O-CE1 3.39Å
25	K	91.1	Very high	90	Very high	35 Å²	35	70.9 Å²	70.9	15%	0.152	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-127.8	149.9	-177.9	-57	-175.8	-177.9	-176.2	0	110.1	L34 F36 F54 M58 A59 K61 D64	K25-L34 HydrophobicContact CB-CD1 4.41Å; K25-L34 HydrophobicContact CD-CD2 4.39Å; K25-F36 HydrophobicContact CB-CB 4.41Å; K25-F36 HydrophobicContact CG-CB 4.08Å; K25-F54 HydrophobicContact CG-CZ 4.19Å; K25-M58 WeakPolarHBondContact CE-O 3.26Å; K25-M58 PolarHBondContact NZ-O 3.3Å; K25-A59 VanDerWaalsContact CE-O 3.28Å; K25-A59 WeakPolarHBondContact CE-O 3.43Å; K25-A59 PolarHBondContact NZ-O 2.79Å; K25-K61 PolarHBondContact NZ-O 3.22Å; K25-D64 WeakPolarHBondContact CB-OD1 3.3Å; K25-D64 WeakPolarHBondContact CD-OD2 3.46Å
26	G	89.4	Confident	90.2	Very high	33 Å²	33	69.5 Å²	69.5	34%	0.34	34%	0.344	S	S	.	.			trans	-89.1	-167.3	166.3	0	0	0	0	0	111.1	L34 P35	G26-L34 WeakPolarHBondContact O-CD1 3.22Å; G26-P35 PolarHBondContact N-O 3.48Å
27	R	89.3	Confident	90.4	Very high	217 Å²	217	70.1 Å²	70.1	82%	0.819	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-86.1	150.4	171.9	-64.8	-176.5	179.1	-167.1	-1.6	109.9	I29 P35	R27-I29 PolarHBondContact O-N 3.22Å; R27-P35 WeakPolarHBondContact O-CD 3.36Å
28	V	91.1	Very high	90.8	Very high	38 Å²	38	60.5 Å²	60.5	23%	0.23	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-63.3	125.9	168.9	-179.2	0	0	0	0	109.6	F33 L34 S66 I129	V28-F33 CarbonylContact C-O 3.51Å; V28-F33 VanDerWaalsContact CA-O 3.29Å; V28-F33 WeakPolarHBondContact CA-O 3.36Å; V28-L34 HydrophobicContact CG2-CB 4.31Å; V28-L34 HydrophobicContact CG2-CD1 4.06Å; V28-S66 VanDerWaalsContact CG2-OG 3.23Å; V28-S66 WeakPolarHBondContact CG2-OG 3.48Å; V28-I129 HydrophobicContact CG2-CD1 4.29Å
29	I	91.7	Very high	91.4	Very high	93 Å²	93	54.5 Å²	54.5	48%	0.477	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-99.5	132.6	179.1	-59.1	165.3	0	0	0	108.1	R27 A31 F32 F33 P35	R27-I29 PolarHBondContact O-N 3.22Å; I29-A31 PolarHBondContact O-N 3.17Å; I29-F32 PolarHBondContact O-N 2.94Å; I29-F33 HydrophobicContact CB-CB 4.28Å; I29-F33 PolarHBondContact N-O 2.94Å; I29-F33 PolarHBondContact O-N 3.46Å; I29-P35 HydrophobicContact CD1-CG 4.08Å
30	S	91.8	Very high	91.7	Very high	104 Å²	104	54.5 Å²	54.5	73%	0.727	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	31.9	179.6	-55.2	0	0	0	0	113.7	F32	S30-F32 PolarHBondContact O-N 3.13Å
31	A	90.8	Very high	92	Very high	59 Å²	59	52 Å²	52	49%	0.488	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	17.8	-175.5	0	0	0	0	0	115.3	I29 K68	I29-A31 PolarHBondContact O-N 3.17Å; A31-K68 PolarHBondContact O-NZ 2.98Å
32	F	94.3	Very high	92.4	Very high	38 Å²	38	51 Å²	51	17%	0.167	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.5	-38.2	-168.9	-172.8	-120.7	0	0	0	114.5	I29 S30 C119 F122 I129 V130	I29-F32 PolarHBondContact O-N 2.94Å; S30-F32 PolarHBondContact O-N 3.13Å; F32-C119 HydrophobicContact CE1-CB 4.32Å; F32-F122 AromaticContact CE2-CD1 3.99Å; F32-F122 HydrophobicContact CE2-CD1 3.99Å; F32-F122 HydrophobicContact CE2-CE1 4.28Å; F32-F122 AromaticContact CZ-CD1 3.9Å; F32-F122 HydrophobicContact CZ-CD1 3.9Å; F32-I129 WeakPolarHBondContact O-CA 3.17Å; F32-I129 VanDerWaalsContact O-CB 3.27Å; F32-I129 WeakPolarHBondContact O-CB 3.4Å; F32-V130 HydrophobicContact CD1-CG2 4.35Å; F32-V130 HydrophobicContact CE1-CG2 3.66Å; F32-V130 HydrophobicContact CE2-CG2 3.89Å; F32-V130 HydrophobicContact CZ-CG2 3.41Å; F32-V130 VanDerWaalsContact CZ-CG2 3.41Å; F32-V130 PolarHBondContact O-N 3.22Å
33	F	94.7	Very high	92.7	Very high	52 Å²	52	56 Å²	56	23%	0.228	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.2	-176.9	-63.9	-65.1	0	0	0	111.5	V28 I29 P35 F115 C119 V130 I132	V28-F33 CarbonylContact C-O 3.51Å; V28-F33 VanDerWaalsContact CA-O 3.29Å; V28-F33 WeakPolarHBondContact CA-O 3.36Å; I29-F33 HydrophobicContact CB-CB 4.28Å; I29-F33 PolarHBondContact N-O 2.94Å; I29-F33 PolarHBondContact O-N 3.46Å; F33-P35 WeakPolarHBondContact O-CD 3.16Å; F33-F115 HydrophobicContact CE1-CZ 4.2Å; F33-C119 HydrophobicContact CE1-CB 4.26Å; F33-C119 HydrophobicContact CZ-CB 4.32Å; F33-V130 HydrophobicContact CD1-CB 3.96Å; F33-V130 HydrophobicContact CD1-CG1 4.29Å; F33-V130 HydrophobicContact CE1-CB 4.29Å; F33-V130 HydrophobicContact CE1-CG1 4.47Å; F33-I132 HydrophobicContact CB-CD1 4.03Å; F33-I132 HydrophobicContact CD1-CD1 3.39Å; F33-I132 HydrophobicContact CD1-CG1 4.2Å; F33-I132 HydrophobicContact CE1-CD1 4.05Å; F33-I132 HydrophobicContact CG-CD1 3.95Å
34	L	93.8	Very high	92.9	Very high	5 Å²	5	52 Å²	52	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	101.6	172.5	177.4	57.9	0	0	0	110.5	K25 G26 V28 F36 D64 I70 I129 V130 I132	K25-L34 HydrophobicContact CB-CD1 4.41Å; K25-L34 HydrophobicContact CD-CD2 4.39Å; G26-L34 WeakPolarHBondContact O-CD1 3.22Å; V28-L34 HydrophobicContact CG2-CB 4.31Å; V28-L34 HydrophobicContact CG2-CD1 4.06Å; L34-F36 HydrophobicContact CG-CD1 4.31Å; L34-F36 WeakPolarHBondContact O-CD1 3.49Å; L34-D64 WeakPolarHBondContact CD1-OD2 3.25Å; L34-I70 HydrophobicContact CD2-CD1 4.13Å; L34-I70 HydrophobicContact CD2-CG1 4.35Å; L34-I129 HydrophobicContact CB-CD1 3.83Å; L34-I129 HydrophobicContact CD2-CD1 3.94Å; L34-V130 PolarHBondContact N-O 3.07Å; L34-I132 PolarHBondContact O-N 2.99Å
35	P	93.2	Very high	93.1	Very high	39 Å²	39	48.8 Å²	48.8	25%	0.253	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	138.6	171.9	30.4	-32.8	0	0	0	110.6	G26 R27 I29 F33 I132	G26-P35 PolarHBondContact N-O 3.48Å; R27-P35 WeakPolarHBondContact O-CD 3.36Å; I29-P35 HydrophobicContact CD1-CG 4.08Å; F33-P35 WeakPolarHBondContact O-CD 3.16Å; P35-I132 WeakPolarHBondContact CA-O 3.06Å
36	F	92.5	Very high	93.2	Very high	6 Å²	6	57.3 Å²	57.3	3%	0.026	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-144.4	157.4	171.9	50.5	-103.2	0	0	0	111.5	R24 K25 L34 P39 F54 I70 W73 G131 I132 L133 P134	R24-F36 WeakPolarHBondContact O-CA 3.3Å; R24-F36 WeakPolarHBondContact O-CB 3.48Å; K25-F36 HydrophobicContact CB-CB 4.41Å; K25-F36 HydrophobicContact CG-CB 4.08Å; L34-F36 HydrophobicContact CG-CD1 4.31Å; L34-F36 WeakPolarHBondContact O-CD1 3.49Å; F36-P39 HydrophobicContact CD2-CG 4.41Å; F36-P39 HydrophobicContact CE2-CG 4.32Å; F36-F54 HydrophobicContact CB-CE1 4.31Å; F36-F54 HydrophobicContact CB-CZ 4.32Å; F36-F54 HydrophobicContact CD2-CE1 4.49Å; F36-I70 HydrophobicContact CE1-CD1 4.05Å; F36-W73 HydrophobicContact CD2-CH2 4.48Å; F36-W73 HydrophobicContact CD2-CZ2 4.44Å; F36-W73 HydrophobicContact CE1-CH2 4.48Å; F36-W73 HydrophobicContact CE1-CZ3 4.4Å; F36-W73 HydrophobicContact CE2-CD2 4.45Å; F36-W73 AromaticContact CE2-CE2 3.76Å; F36-W73 AromaticContact CE2-CH2 3.49Å; F36-W73 HydrophobicContact CE2-CH2 3.49Å; F36-W73 VanDerWaalsContact CE2-CH2 3.49Å; F36-W73 AromaticContact CE2-CZ2 3.26Å; F36-W73 HydrophobicContact CE2-CZ2 3.26Å; F36-W73 HydrophobicContact CE2-CZ3 4.17Å; F36-W73 AromaticContact CZ-CD2 3.8Å; F36-W73 HydrophobicContact CZ-CD2 3.8Å; F36-W73 AromaticContact CZ-CE2 3.56Å; F36-W73 AromaticContact CZ-CE3 3.84Å; F36-W73 HydrophobicContact CZ-CE3 3.84Å; F36-W73 AromaticContact CZ-CH2 3.49Å; F36-W73 HydrophobicContact CZ-CH2 3.49Å; F36-W73 VanDerWaalsContact CZ-CH2 3.49Å; F36-W73 AromaticContact CZ-CZ2 3.44Å; F36-W73 HydrophobicContact CZ-CZ2 3.44Å; F36-W73 VanDerWaalsContact CZ-CZ2 3.44Å; F36-W73 AromaticContact CZ-CZ3 3.69Å; F36-W73 HydrophobicContact CZ-CZ3 3.69Å; F36-G131 VanDerWaalsContact CE1-CA 3.46Å; F36-I132 PolarHBondContact N-O 3.19Å; F36-I132 VanDerWaalsContact N-O 3.14Å; F36-L133 HydrophobicContact CE2-CB 3.98Å; F36-P134 WeakPolarHBondContact O-CD 3.39Å
37	K	92.1	Very high	93.4	Very high	19 Å²	19	60 Å²	60	8%	0.083	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-70.6	159.9	176.4	75.9	178	179.5	175.5	0	110.5	W19 L20 C22 P23 R24 P39 F54	W19-K37 HydrophobicContact CD2-CD 4.35Å; W19-K37 HydrophobicContact CZ2-CD 4.06Å; W19-K37 VanDerWaalsContact CZ2-CE 3.44Å; W19-K37 HydrophobicContact CZ2-CG 4.43Å; W19-K37 PolarHBondContact O-NZ 2.9Å; L20-K37 PolarHBondContact O-NZ 3.49Å; C22-K37 HydrophobicContact CB-CB 4.29Å; C22-K37 HydrophobicContact CB-CD 3.64Å; C22-K37 WeakPolarHBondContact O-CD 3.34Å; C22-K37 WeakPolarHBondContact O-CE 3.36Å; C22-K37 PolarHBondContact O-NZ 3.34Å; P23-K37 WeakPolarHBondContact O-CD 3.41Å; R24-K37 PolarHBondContact O-N 3.49Å; K37-P39 WeakPolarHBondContact O-CD 3.31Å; K37-P39 VanDerWaalsContact O-N 3.08Å; K37-F54 HydrophobicContact CD-CD1 4.47Å; K37-F54 HydrophobicContact CG-CD1 3.7Å; K37-F54 HydrophobicContact CG-CE1 3.99Å; K37-F54 VanDerWaalsContact O-CE1 3.26Å; K37-F54 WeakPolarHBondContact O-CE1 3.23Å
38	T	92.8	Very high	93.6	Very high	4 Å²	4	50 Å²	50	3%	0.025	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-54.1	117.4	177.9	-43.4	0	0	0	0	111.6	W19 F82 Y83 L133 L137	W19-T38 VanDerWaalsContact CE2-O 3.28Å; W19-T38 WeakPolarHBondContact CZ2-O 3.31Å; W19-T38 PolarHBondContact NE1-O 3.03Å; T38-F82 HydrophobicContact CG2-CB 3.6Å; T38-F82 HydrophobicContact CG2-CD1 4.37Å; T38-F82 HydrophobicContact CG2-CD2 3.29Å; T38-F82 HydrophobicContact CG2-CE2 3.98Å; T38-F82 HydrophobicContact CG2-CG 3.52Å; T38-Y83 HydrophobicContact CG2-CE1 4.32Å; T38-L133 HydrophobicContact CG2-CD1 4.35Å; T38-L133 HydrophobicContact CG2-CD2 4Å; T38-L133 VanDerWaalsContact N-CD1 3.29Å; T38-L133 WeakPolarHBondContact OG1-CD1 3.15Å; T38-L137 VanDerWaalsContact OG1-CD2 3.27Å; T38-L137 WeakPolarHBondContact OG1-CD2 3.48Å
39	P	95.3	Very high	93.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-65	151.6	168.3	-14.3	28	0	0	0	110	F36 K37 F54 P56 A59 W73 Y83	F36-P39 HydrophobicContact CD2-CG 4.41Å; F36-P39 HydrophobicContact CE2-CG 4.32Å; K37-P39 WeakPolarHBondContact O-CD 3.31Å; K37-P39 VanDerWaalsContact O-N 3.08Å; P39-F54 CarbonylContact C-O 3.47Å; P39-F54 WeakPolarHBondContact CA-O 3.42Å; P39-F54 HydrophobicContact CB-CD1 4.28Å; P39-F54 HydrophobicContact CB-CE1 4.46Å; P39-F54 WeakPolarHBondContact CB-O 3.31Å; P39-F54 HydrophobicContact CG-CD1 4.36Å; P39-F54 HydrophobicContact CG-CE1 4.07Å; P39-P56 HydrophobicContact CB-CG 4.09Å; P39-A59 HydrophobicContact CG-CB 4.12Å; P39-W73 HydrophobicContact CG-CH2 3.67Å; P39-W73 HydrophobicContact CG-CZ2 3.76Å; P39-Y83 HydrophobicContact CB-CD1 4.44Å; P39-Y83 VanDerWaalsContact O-CD1 3.29Å; P39-Y83 WeakPolarHBondContact O-CD1 3.23Å
40	L	95.1	Very high	94	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.026	27%	0.272	C	S	.	.			trans	-119.8	127.8	177.3	-60.9	-179.1	0	0	0	108	P15 P16 W19 Y44 V48 F54 Y55 F82	P15-L40 HydrophobicContact CB-CD1 3.69Å; P16-L40 HydrophobicContact CG-CD2 4.33Å; W19-L40 HydrophobicContact CD2-CD1 3.87Å; W19-L40 HydrophobicContact CD2-CG 4.49Å; W19-L40 HydrophobicContact CE3-CD1 3.89Å; W19-L40 HydrophobicContact CH2-CD1 3.73Å; W19-L40 HydrophobicContact CH2-CG 4.11Å; W19-L40 HydrophobicContact CZ2-CB 4.45Å; W19-L40 HydrophobicContact CZ2-CD1 3.66Å; W19-L40 HydrophobicContact CZ2-CG 3.65Å; W19-L40 HydrophobicContact CZ3-CD1 3.85Å; L40-Y44 HydrophobicContact CB-CD2 3.74Å; L40-Y44 HydrophobicContact CB-CG 4.08Å; L40-Y44 HydrophobicContact CD1-CG 4.27Å; L40-Y44 HydrophobicContact CD2-CD2 4.09Å; L40-Y44 HydrophobicContact CD2-CE2 4.16Å; L40-Y44 HydrophobicContact CD2-CG 4.48Å; L40-Y44 HydrophobicContact CG-CD2 4.34Å; L40-V48 HydrophobicContact CD1-CG2 3.95Å; L40-F54 PolarHBondContact N-O 2.75Å; L40-Y55 WeakPolarHBondContact O-CD1 3.25Å; L40-F82 HydrophobicContact CD2-CB 4.12Å; L40-F82 HydrophobicContact CD2-CD1 3.58Å; L40-F82 HydrophobicContact CD2-CE1 4.32Å; L40-F82 HydrophobicContact CD2-CG 4.11Å
41	G	95.6	Very high	94.1	Very high	5 Å²	5	54.6 Å²	54.6	5%	0.052	27%	0.268	C	S	.	.			trans	-70.9	168.7	173.7	0	0	0	0	0	112.2	R43 Y44 F82	G41-R43 PolarHBondContact O-N 2.95Å; G41-Y44 WeakPolarHBondContact O-CD2 3.47Å; G41-Y44 PolarHBondContact O-N 2.94Å; G41-F82 PolarHBondContact N-O 2.62Å
42	H	95.7	Very high	94.2	Very high	117 Å²	117	53.1 Å²	53.1	54%	0.542	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-55.1	-21.5	-173.3	-72.8	-71.9	0	0	0	115.9	Y44 D45 Y55	H42-Y44 PolarHBondContact O-N 3.3Å; H42-D45 IonicContact CE1-OD2 3.05Å; H42-D45 IonicContact CG-OD2 3.62Å; H42-D45 IonicContact ND1-OD1 3.98Å; H42-D45 IonicContact ND1-OD2 2.88Å; H42-D45 PolarHBondContact ND1-OD2 3.26Å; H42-D45 WeakPolarHBondContact O-CB 3.16Å; H42-D45 PolarHBondContact O-N 3.38Å; H42-Y55 AromaticContact CE1-CE1 3.52Å; H42-Y55 AromaticContact CE1-CE2 3.95Å; H42-Y55 AromaticContact CE1-CZ 3.45Å; H42-Y55 VanDerWaalsContact CE1-CZ 3.45Å; H42-Y55 AromaticContact ND1-CE1 3.48Å; H42-Y55 WeakPolarHBondContact ND1-CE1 3.31Å; H42-Y55 AromaticContact ND1-CZ 3.61Å; H42-Y55 PolarHBondContact ND1-OH 3Å
43	R	94.5	Very high	94.3	Very high	112 Å²	112	54.2 Å²	54.2	42%	0.423	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-58.8	-19.6	174.4	69	174.8	164.8	-113.4	-33.6	113.7	G41 R81 F82	G41-R43 PolarHBondContact O-N 2.95Å; R43-R81 PolarHBondContact NE-O 2.86Å; R43-R81 PolarHBondContact NH2-O 3.39Å; R43-F82 PolarHBondContact NH2-O 3.1Å
44	Y	94.8	Very high	94.3	Very high	8 Å²	8	51.8 Å²	51.8	3%	0.031	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-91.6	-4	178.5	-67.3	-76.1	0	0	0	114.1	L13 L40 G41 H42 K46 M47 V48 R81 F82	L13-Y44 WeakPolarHBondContact O-CE1 3.46Å; L40-Y44 HydrophobicContact CB-CD2 3.74Å; L40-Y44 HydrophobicContact CB-CG 4.08Å; L40-Y44 HydrophobicContact CD1-CG 4.27Å; L40-Y44 HydrophobicContact CD2-CD2 4.09Å; L40-Y44 HydrophobicContact CD2-CE2 4.16Å; L40-Y44 HydrophobicContact CD2-CG 4.48Å; L40-Y44 HydrophobicContact CG-CD2 4.34Å; G41-Y44 WeakPolarHBondContact O-CD2 3.47Å; G41-Y44 PolarHBondContact O-N 2.94Å; H42-Y44 PolarHBondContact O-N 3.3Å; Y44-K46 PolarHBondContact O-N 3.05Å; Y44-K46 VanDerWaalsContact O-N 3.1Å; Y44-M47 HydrophobicContact CD1-SD 4.5Å; Y44-M47 PolarHBondContact O-N 3.26Å; Y44-V48 PolarHBondContact O-N 2.96Å; Y44-V48 VanDerWaalsContact O-N 3.17Å; Y44-R81 PolarHBondContact OH-NH1 3.2Å; Y44-R81 PolarHBondContact OH-O 2.68Å; Y44-F82 HydrophobicContact CE2-CD1 4.35Å; Y44-F82 WeakPolarHBondContact CE2-O 3.48Å
45	D	95.3	Very high	94.4	Very high	35 Å²	35	52.9 Å²	52.9	19%	0.187	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.2	-169.4	-73.7	-11.5	0	0	0	113.9	H42 M47 R53 Y55	H42-D45 IonicContact CE1-OD2 3.05Å; H42-D45 IonicContact CG-OD2 3.62Å; H42-D45 IonicContact ND1-OD1 3.98Å; H42-D45 IonicContact ND1-OD2 2.88Å; H42-D45 PolarHBondContact ND1-OD2 3.26Å; H42-D45 WeakPolarHBondContact O-CB 3.16Å; H42-D45 PolarHBondContact O-N 3.38Å; D45-M47 VanDerWaalsContact C-N 3.31Å; D45-R53 PolarHBondContact O-NH2 2.85Å; D45-R53 IonicContact OD1-NE 3.91Å; D45-Y55 VanDerWaalsContact OD1-CE1 3.28Å; D45-Y55 WeakPolarHBondContact OD1-CE1 2.96Å; D45-Y55 PolarHBondContact OD1-OH 2.85Å; D45-Y55 PolarHBondContact OD2-OH 2.84Å; D45-Y55 VanDerWaalsContact OD2-OH 3.14Å
46	K	94.3	Very high	94.6	Very high	214 Å²	214	51 Å²	51	93%	0.93	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-15.5	176.2	-64.4	-176.3	179.5	-178.6	0	113.7	Y44	Y44-K46 PolarHBondContact O-N 3.05Å; Y44-K46 VanDerWaalsContact O-N 3.1Å
47	M	92.8	Very high	94.7	Very high	91 Å²	91	53.3 Å²	53.3	45%	0.448	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-8.3	-176.5	-61.7	176	172.5	0	0	112.7	G14 Y44 D45	G14-M47 VanDerWaalsContact CA-SD 3.53Å; Y44-M47 HydrophobicContact CD1-SD 4.5Å; Y44-M47 PolarHBondContact O-N 3.26Å; D45-M47 VanDerWaalsContact C-N 3.31Å
48	V	93.4	Very high	94.8	Very high	6 Å²	6	55.9 Å²	55.9	4%	0.036	27%	0.266	C	S	.	.	S	Bend	trans	-125.1	118.4	-175.7	179.2	0	0	0	0	108.8	P15 W19 L20 L40 Y44 N52 R53	P15-V48 HydrophobicContact CB-CG2 4.04Å; P15-V48 HydrophobicContact CG-CG2 4.09Å; W19-V48 HydrophobicContact CH2-CG1 4.33Å; W19-V48 HydrophobicContact CZ3-CG1 3.69Å; W19-V48 HydrophobicContact CZ3-CG2 4.34Å; L20-V48 HydrophobicContact CD2-CG1 4.03Å; L20-V48 HydrophobicContact CD2-CG2 4.47Å; L40-V48 HydrophobicContact CD1-CG2 3.95Å; Y44-V48 PolarHBondContact O-N 2.96Å; Y44-V48 VanDerWaalsContact O-N 3.17Å; V48-N52 HydrophobicContact CG1-CB 3.97Å; V48-R53 HydrophobicContact CB-CG 4.37Å; V48-R53 HydrophobicContact CG1-CG 3.9Å; V48-R53 PolarHBondContact O-NE 3.29Å
49	P	94.5	Very high	94.9	Very high	53 Å²	53	55.7 Å²	55.7	34%	0.344	26%	0.264	S	S	.	.			trans	-52.8	143.8	172.9	-24.8	34.2	0	0	0	111.4	E51 N52 R53	P49-E51 HydrophobicContact CB-CG 4.36Å; P49-E51 WeakPolarHBondContact CB-OE1 3.49Å; P49-E51 WeakPolarHBondContact CB-OE2 3.33Å; P49-E51 PolarHBondContact O-N 2.74Å; P49-N52 PolarHBondContact O-N 3.31Å; P49-R53 WeakPolarHBondContact O-CG 3.33Å; P49-R53 PolarHBondContact O-N 3.45Å
50	E	95.8	Very high	94.8	Very high	145 Å²	145	57.3 Å²	57.3	68%	0.678	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-54.5	-42.5	-171.9	-173.4	173.3	159.2	0	0	112.6	N52 R53	E50-N52 PolarHBondContact O-N 2.74Å; E50-R53 WeakPolarHBondContact O-CB 3.48Å; E50-R53 PolarHBondContact O-N 3Å; E50-R53 VanDerWaalsContact O-N 3.12Å
51	E	94.7	Very high	94.6	Very high	134 Å²	134	63.9 Å²	63.9	63%	0.626	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-61.5	-24.1	178	68.2	-85.7	-154.9	0	0	113.6	R24 P49	R24-E51 PolarHBondContact NH2-O 3.25Å; P49-E51 HydrophobicContact CB-CG 4.36Å; P49-E51 WeakPolarHBondContact CB-OE1 3.49Å; P49-E51 WeakPolarHBondContact CB-OE2 3.33Å; P49-E51 PolarHBondContact O-N 2.74Å
52	N	93.8	Very high	93.5	Very high	28 Å²	28	66.4 Å²	66.4	15%	0.15	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-98.6	-8.3	179.4	-63.5	117	0	0	0	113.5	W19 L20 V48 P49 E50	W19-N52 WeakPolarHBondContact CH2-O 3.44Å; W19-N52 VanDerWaalsContact CZ3-O 3.25Å; W19-N52 WeakPolarHBondContact CZ3-O 3.33Å; L20-N52 HydrophobicContact CD2-CB 4.06Å; L20-N52 PolarHBondContact O-ND2 3.05Å; L20-N52 VanDerWaalsContact O-ND2 3.07Å; V48-N52 HydrophobicContact CG1-CB 3.97Å; P49-N52 PolarHBondContact O-N 3.31Å; E50-N52 PolarHBondContact O-N 2.74Å
53	R	95.4	Very high	92	Very high	61 Å²	61	64 Å²	64	23%	0.23	33%	0.334	C	S	.	.			trans	-60	143.5	-178.8	-66	176.7	-174.9	165.9	-3.5	111	R24 D45 V48 P49 E50 Y55	R24-R53 PolarHBondContact NE-O 2.97Å; R24-R53 PolarHBondContact NH2-O 3.5Å; D45-R53 PolarHBondContact O-NH2 2.85Å; D45-R53 IonicContact OD1-NE 3.91Å; V48-R53 HydrophobicContact CB-CG 4.37Å; V48-R53 HydrophobicContact CG1-CG 3.9Å; V48-R53 PolarHBondContact O-NE 3.29Å; P49-R53 WeakPolarHBondContact O-CG 3.33Å; P49-R53 PolarHBondContact O-N 3.45Å; E50-R53 WeakPolarHBondContact O-CB 3.48Å; E50-R53 PolarHBondContact O-N 3Å; E50-R53 VanDerWaalsContact O-N 3.12Å; R53-Y55 HydrophobicContact CB-CE2 4.25Å; R53-Y55 VanDerWaalsContact CD-OH 3.29Å; R53-Y55 WeakPolarHBondContact CD-OH 3.09Å
54	F	95.1	Very high	90.4	Very high	1 Å²	1	60.8 Å²	60.8	0%	0.004	33%	0.325	C	S	.	.			trans	-152.6	101.5	-179.7	-177.1	-134.4	0	0	0	109.7	W19 R24 K25 F36 K37 P39 L40 M58 A59	W19-F54 HydrophobicContact CH2-CB 3.95Å; W19-F54 HydrophobicContact CZ2-CB 3.92Å; R24-F54 HydrophobicContact CB-CD1 4.3Å; R24-F54 HydrophobicContact CB-CD2 3.86Å; R24-F54 HydrophobicContact CB-CE1 4.24Å; R24-F54 HydrophobicContact CB-CE2 3.82Å; R24-F54 HydrophobicContact CB-CG 4.11Å; R24-F54 HydrophobicContact CB-CZ 4.01Å; R24-F54 HydrophobicContact CG-CB 4.09Å; R24-F54 HydrophobicContact CG-CD1 4.37Å; R24-F54 HydrophobicContact CG-CD2 3.73Å; R24-F54 HydrophobicContact CG-CE2 4.22Å; R24-F54 HydrophobicContact CG-CG 3.81Å; R24-F54 WeakPolarHBondContact O-CE1 3.39Å; K25-F54 HydrophobicContact CG-CZ 4.19Å; F36-F54 HydrophobicContact CB-CE1 4.31Å; F36-F54 HydrophobicContact CB-CZ 4.32Å; F36-F54 HydrophobicContact CD2-CE1 4.49Å; K37-F54 HydrophobicContact CD-CD1 4.47Å; K37-F54 HydrophobicContact CG-CD1 3.7Å; K37-F54 HydrophobicContact CG-CE1 3.99Å; K37-F54 VanDerWaalsContact O-CE1 3.26Å; K37-F54 WeakPolarHBondContact O-CE1 3.23Å; P39-F54 CarbonylContact C-O 3.47Å; P39-F54 WeakPolarHBondContact CA-O 3.42Å; P39-F54 HydrophobicContact CB-CD1 4.28Å; P39-F54 HydrophobicContact CB-CE1 4.46Å; P39-F54 WeakPolarHBondContact CB-O 3.31Å; P39-F54 HydrophobicContact CG-CD1 4.36Å; P39-F54 HydrophobicContact CG-CE1 4.07Å; L40-F54 PolarHBondContact N-O 2.75Å; F54-M58 HydrophobicContact CD2-CB 3.72Å; F54-M58 HydrophobicContact CD2-SD 4.36Å; F54-M58 HydrophobicContact CE2-CB 3.85Å; F54-A59 HydrophobicContact CE1-CB 4.34Å; F54-A59 HydrophobicContact CE2-CB 3.98Å; F54-A59 HydrophobicContact CZ-CB 3.55Å
55	Y	96.3	Very high	88.6	Confident	27 Å²	27	67 Å²	67	11%	0.106	37%	0.37	C	S	.	.			trans	-91.7	160.3	-177.3	-56	-64.6	0	0	0	112	L40 H42 D45 R53 S57 M58 A59	L40-Y55 WeakPolarHBondContact O-CD1 3.25Å; H42-Y55 AromaticContact CE1-CE1 3.52Å; H42-Y55 AromaticContact CE1-CE2 3.95Å; H42-Y55 AromaticContact CE1-CZ 3.45Å; H42-Y55 VanDerWaalsContact CE1-CZ 3.45Å; H42-Y55 AromaticContact ND1-CE1 3.48Å; H42-Y55 WeakPolarHBondContact ND1-CE1 3.31Å; H42-Y55 AromaticContact ND1-CZ 3.61Å; H42-Y55 PolarHBondContact ND1-OH 3Å; D45-Y55 VanDerWaalsContact OD1-CE1 3.28Å; D45-Y55 WeakPolarHBondContact OD1-CE1 2.96Å; D45-Y55 PolarHBondContact OD1-OH 2.85Å; D45-Y55 PolarHBondContact OD2-OH 2.84Å; D45-Y55 VanDerWaalsContact OD2-OH 3.14Å; R53-Y55 HydrophobicContact CB-CE2 4.25Å; R53-Y55 VanDerWaalsContact CD-OH 3.29Å; R53-Y55 WeakPolarHBondContact CD-OH 3.09Å; Y55-S57 PolarHBondContact O-N 2.94Å; Y55-M58 HydrophobicContact CD2-CE 4.04Å; Y55-M58 HydrophobicContact CD2-CG 4.2Å; Y55-M58 HydrophobicContact CD2-SD 3.74Å; Y55-M58 HydrophobicContact CE2-CE 4.38Å; Y55-M58 HydrophobicContact CE2-SD 4.5Å; Y55-M58 HydrophobicContact CG-SD 4.45Å; Y55-M58 WeakPolarHBondContact O-CB 3.46Å; Y55-M58 PolarHBondContact O-N 2.78Å; Y55-A59 PolarHBondContact O-N 2.85Å; Y55-A59 VanDerWaalsContact O-N 3.12Å
56	P	96.3	Very high	86.9	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-52	-43	171.3	-26.3	34.7	0	0	0	112.6	P39 M58 A59 L60 Y83 E87 I88	P39-P56 HydrophobicContact CB-CG 4.09Å; P56-M58 VanDerWaalsContact C-N 3.26Å; P56-M58 PolarHBondContact O-N 3.17Å; P56-A59 WeakPolarHBondContact O-CA 3.35Å; P56-A59 WeakPolarHBondContact O-CB 3.36Å; P56-A59 PolarHBondContact O-N 3.01Å; P56-L60 WeakPolarHBondContact O-CG 3.4Å; P56-L60 PolarHBondContact O-N 2.76Å; P56-Y83 VanDerWaalsContact CG-CB 3.49Å; P56-Y83 HydrophobicContact CG-CD2 4.08Å; P56-Y83 HydrophobicContact CG-CG 3.84Å; P56-E87 HydrophobicContact CB-CB 4.45Å; P56-I88 HydrophobicContact CB-CD1 3.74Å; P56-I88 HydrophobicContact CG-CD1 4.32Å
57	S	95.3	Very high	86	Confident	54 Å²	54	64.2 Å²	64.2	38%	0.378	37%	0.367	S	S	.	.	H	α-helix	trans	-59.1	-33.6	175.8	61.6	0	0	0	0	113.5	Y55 K61	Y55-S57 PolarHBondContact O-N 2.94Å; S57-K61 VanDerWaalsContact O-CG 3.24Å; S57-K61 WeakPolarHBondContact O-CG 3.49Å; S57-K61 PolarHBondContact O-N 3.26Å
58	M	94.5	Very high	85.7	Confident	73 Å²	73	64.3 Å²	64.3	36%	0.36	37%	0.365	S	S	.	.	H	α-helix	trans	-73.2	-32	174.3	-66.2	177.8	152	0	0	112.3	K25 F54 Y55 P56	K25-M58 WeakPolarHBondContact CE-O 3.26Å; K25-M58 PolarHBondContact NZ-O 3.3Å; F54-M58 HydrophobicContact CD2-CB 3.72Å; F54-M58 HydrophobicContact CD2-SD 4.36Å; F54-M58 HydrophobicContact CE2-CB 3.85Å; Y55-M58 HydrophobicContact CD2-CE 4.04Å; Y55-M58 HydrophobicContact CD2-CG 4.2Å; Y55-M58 HydrophobicContact CD2-SD 3.74Å; Y55-M58 HydrophobicContact CE2-CE 4.38Å; Y55-M58 HydrophobicContact CE2-SD 4.5Å; Y55-M58 HydrophobicContact CG-SD 4.45Å; Y55-M58 WeakPolarHBondContact O-CB 3.46Å; Y55-M58 PolarHBondContact O-N 2.78Å; P56-M58 VanDerWaalsContact C-N 3.26Å; P56-M58 PolarHBondContact O-N 3.17Å
59	A	93.7	Very high	85.7	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-67.7	-42.1	174.9	0	0	0	0	0	111	K25 P39 F54 Y55 P56 I70 W73	K25-A59 VanDerWaalsContact CE-O 3.28Å; K25-A59 WeakPolarHBondContact CE-O 3.43Å; K25-A59 PolarHBondContact NZ-O 2.79Å; P39-A59 HydrophobicContact CG-CB 4.12Å; F54-A59 HydrophobicContact CE1-CB 4.34Å; F54-A59 HydrophobicContact CE2-CB 3.98Å; F54-A59 HydrophobicContact CZ-CB 3.55Å; Y55-A59 PolarHBondContact O-N 2.85Å; Y55-A59 VanDerWaalsContact O-N 3.12Å; P56-A59 WeakPolarHBondContact O-CA 3.35Å; P56-A59 WeakPolarHBondContact O-CB 3.36Å; P56-A59 PolarHBondContact O-N 3.01Å; A59-I70 WeakPolarHBondContact O-CD1 3.46Å; A59-W73 HydrophobicContact CB-CH2 3.54Å; A59-W73 HydrophobicContact CB-CZ3 3.76Å
60	L	94.5	Very high	85.8	Confident	35 Å²	35	67.7 Å²	67.7	18%	0.183	38%	0.376	C	S	.	.	H	α-helix	trans	-70.4	-35.3	179.4	-67.2	177	0	0	0	113.8	P56 G62 I70 W73 A91 V93	P56-L60 WeakPolarHBondContact O-CG 3.4Å; P56-L60 PolarHBondContact O-N 2.76Å; L60-G62 PolarHBondContact O-N 2.81Å; L60-I70 HydrophobicContact CD2-CB 4.37Å; L60-I70 HydrophobicContact CD2-CD1 4.5Å; L60-I70 HydrophobicContact CD2-CG2 4.48Å; L60-W73 HydrophobicContact CD2-CE3 3.8Å; L60-W73 HydrophobicContact CD2-CZ3 3.75Å; L60-W73 HydrophobicContact CG-CZ3 4.04Å; L60-A91 HydrophobicContact CD1-CB 3.58Å; L60-V93 HydrophobicContact CD2-CB 4.35Å; L60-V93 HydrophobicContact CD2-CG1 4.36Å; L60-V93 HydrophobicContact CD2-CG2 3.79Å
61	K	90.1	Very high	85.8	Confident	143 Å²	143	61.2 Å²	61.2	62%	0.622	35%	0.348	S	S	*	.	S	Bend	trans	-59.6	136.5	174	-78.6	173.2	-177.3	-172.3	0	110.4	K25 S57	K25-K61 PolarHBondContact NZ-O 3.22Å; S57-K61 VanDerWaalsContact O-CG 3.24Å; S57-K61 WeakPolarHBondContact O-CG 3.49Å; S57-K61 PolarHBondContact O-N 3.26Å
62	G	73.8	Confident	86	Confident	58 Å²	58	54.8 Å²	54.8	60%	0.598	32%	0.318	S	S	*	.			trans	-56.8	166.6	166.5	0	0	0	0	0	112.2	L60	L60-G62 PolarHBondContact O-N 2.81Å
63	G	62.3	Low	86.2	Confident	65 Å²	65	53.5 Å²	53.5	67%	0.67	31%	0.311	S	S	*	.			trans	143.7	0.4	179.8	0	0	0	0	0	115.9
64	D	61.2	Low	86.3	Confident	45 Å²	45	50.6 Å²	50.6	24%	0.241	30%	0.3	C	S	.	.	S	Bend	trans	-82.2	177.2	159.9	-63.3	-36.8	0	0	0	109.2	K25 L34 S66	K25-D64 WeakPolarHBondContact CB-OD1 3.3Å; K25-D64 WeakPolarHBondContact CD-OD2 3.46Å; L34-D64 WeakPolarHBondContact CD1-OD2 3.25Å; D64-S66 PolarHBondContact O-N 3.18Å
65	S	57.4	Low	86.3	Confident	139 Å²	139	50.7 Å²	50.7	97%	0.972	30%	0.301	S	S	*	.	S	Bend	trans	-61.3	5.6	178.2	-45.9	0	0	0	0	115.1
66	S	60.4	Low	86.1	Confident	28 Å²	28	50.5 Å²	50.5	20%	0.196	30%	0.301	C	S	.	.	S	Bend	trans	-127.1	126.2	176.7	61.2	0	0	0	0	109.7	V28 D64 K68	V28-S66 VanDerWaalsContact CG2-OG 3.23Å; V28-S66 WeakPolarHBondContact CG2-OG 3.48Å; D64-S66 PolarHBondContact O-N 3.18Å; S66-K68 PolarHBondContact O-N 3.45Å
67	D	75	Confident	85.7	Confident	163 Å²	163	50.7 Å²	50.7	87%	0.872	30%	0.303	S	S	*	.			trans	-73.3	21.2	171.5	-64.8	-41.1	0	0	0	113.1
68	K	85.8	Confident	85.3	Confident	93 Å²	93	53 Å²	53	40%	0.404	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-81.8	132.8	-177.6	-66.1	-164.6	-179.9	-167.8	0	111	A31 S66 I129	A31-K68 PolarHBondContact O-NZ 2.98Å; S66-K68 PolarHBondContact O-N 3.45Å; K68-I129 HydrophobicContact CB-CD1 4.13Å; K68-I129 HydrophobicContact CB-CG1 4.15Å; K68-I129 HydrophobicContact CB-CG2 3.77Å; K68-I129 HydrophobicContact CD-CG2 3.45Å; K68-I129 VanDerWaalsContact CD-CG2 3.45Å; K68-I129 HydrophobicContact CG-CG2 4.27Å
69	E	93.6	Very high	85	Confident	121 Å²	121	51.4 Å²	51.4	57%	0.565	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-79.2	141.9	175.1	-63.6	-177.3	177.8	0	0	111.8	G71 K128 I129	E69-G71 PolarHBondContact O-N 3.25Å; E69-K128 HydrophobicContact CB-CD 4.2Å; E69-K128 HydrophobicContact CB-CG 4.39Å; E69-K128 WeakPolarHBondContact O-CB 3.48Å; E69-K128 WeakPolarHBondContact OE2-CE 3.25Å; E69-K128 IonicContact OE2-NZ 3.14Å; E69-K128 PolarHBondContact OE2-NZ 3.15Å; E69-I129 VanDerWaalsContact O-CG1 3.25Å; E69-I129 WeakPolarHBondContact O-CG1 3.45Å; E69-I129 PolarHBondContact O-N 3.26Å
70	I	95.9	Very high	84.9	Confident	9 Å²	9	60.6 Å²	60.6	5%	0.046	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	125.9	167.9	-59.5	175	0	0	0	108.4	L34 F36 A59 L60 L72 V93 I129	L34-I70 HydrophobicContact CD2-CD1 4.13Å; L34-I70 HydrophobicContact CD2-CG1 4.35Å; F36-I70 HydrophobicContact CE1-CD1 4.05Å; A59-I70 WeakPolarHBondContact O-CD1 3.46Å; L60-I70 HydrophobicContact CD2-CB 4.37Å; L60-I70 HydrophobicContact CD2-CD1 4.5Å; L60-I70 HydrophobicContact CD2-CG2 4.48Å; I70-L72 WeakPolarHBondContact CG2-O 3.27Å; I70-V93 HydrophobicContact CG2-CG1 3.99Å; I70-V93 VanDerWaalsContact O-CG2 3.3Å; I70-V93 WeakPolarHBondContact O-CG2 3.18Å; I70-I129 WeakPolarHBondContact CA-O 3.38Å; I70-I129 HydrophobicContact CG1-CD1 4.25Å; I70-I129 HydrophobicContact CG1-CG1 4.16Å
71	G	96.9	Very high	84.7	Confident	8 Å²	8	60.6 Å²	60.6	8%	0.082	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-19.1	173.4	0	0	0	0	0	113.7	E69 E94 I129	E69-G71 PolarHBondContact O-N 3.25Å; G71-E94 PolarHBondContact O-N 3.25Å; G71-I129 PolarHBondContact N-O 3.24Å
72	L	98.3	Very high	84.9	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	133.6	175.1	172.9	65.7	0	0	0	110.2	I70 I74 E94 V96 I118 F122 V130 G131	I70-L72 WeakPolarHBondContact CG2-O 3.27Å; L72-I74 HydrophobicContact CD1-CG1 4.44Å; L72-I74 HydrophobicContact CD2-CD1 3.99Å; L72-I74 HydrophobicContact CD2-CG1 4.01Å; L72-I74 HydrophobicContact CG-CD1 4.5Å; L72-I74 HydrophobicContact CG-CG1 3.98Å; L72-E94 CarbonylContact C-O 3.57Å; L72-E94 WeakPolarHBondContact CA-O 3.48Å; L72-E94 HydrophobicContact CD1-CB 3.87Å; L72-E94 HydrophobicContact CD1-CG 3.76Å; L72-V96 HydrophobicContact CD1-CB 4.4Å; L72-V96 HydrophobicContact CD1-CG2 3.76Å; L72-I118 HydrophobicContact CD2-CG2 3.72Å; L72-F122 HydrophobicContact CB-CD1 4.01Å; L72-F122 HydrophobicContact CB-CD2 3.69Å; L72-F122 HydrophobicContact CB-CE1 3.91Å; L72-F122 HydrophobicContact CB-CE2 3.6Å; L72-F122 HydrophobicContact CB-CG 3.9Å; L72-F122 HydrophobicContact CB-CZ 3.71Å; L72-F122 HydrophobicContact CD2-CB 3.8Å; L72-F122 HydrophobicContact CD2-CD1 4.19Å; L72-F122 HydrophobicContact CD2-CD2 4.14Å; L72-F122 HydrophobicContact CD2-CG 3.77Å; L72-F122 HydrophobicContact CG-CD2 4.45Å; L72-F122 HydrophobicContact CG-CG 4.47Å; L72-V130 HydrophobicContact CB-CG2 4.31Å; L72-V130 HydrophobicContact CD2-CG1 4.12Å; L72-V130 HydrophobicContact CD2-CG2 4.04Å; L72-V130 HydrophobicContact CG-CG1 4.24Å; L72-V130 CarbonylContact O-C 3.56Å; L72-V130 WeakPolarHBondContact O-CA 3.48Å; L72-G131 PolarHBondContact O-N 3.16Å
73	W	98.1	Very high	85.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	112.2	176.4	-171	-65	0	0	0	109.9	F36 P39 A59 L60 Y83 I88 V93 E94 Y95 V96	F36-W73 HydrophobicContact CD2-CH2 4.48Å; F36-W73 HydrophobicContact CD2-CZ2 4.44Å; F36-W73 HydrophobicContact CE1-CH2 4.48Å; F36-W73 HydrophobicContact CE1-CZ3 4.4Å; F36-W73 HydrophobicContact CE2-CD2 4.45Å; F36-W73 AromaticContact CE2-CE2 3.76Å; F36-W73 AromaticContact CE2-CH2 3.49Å; F36-W73 HydrophobicContact CE2-CH2 3.49Å; F36-W73 VanDerWaalsContact CE2-CH2 3.49Å; F36-W73 AromaticContact CE2-CZ2 3.26Å; F36-W73 HydrophobicContact CE2-CZ2 3.26Å; F36-W73 HydrophobicContact CE2-CZ3 4.17Å; F36-W73 AromaticContact CZ-CD2 3.8Å; F36-W73 HydrophobicContact CZ-CD2 3.8Å; F36-W73 AromaticContact CZ-CE2 3.56Å; F36-W73 AromaticContact CZ-CE3 3.84Å; F36-W73 HydrophobicContact CZ-CE3 3.84Å; F36-W73 AromaticContact CZ-CH2 3.49Å; F36-W73 HydrophobicContact CZ-CH2 3.49Å; F36-W73 VanDerWaalsContact CZ-CH2 3.49Å; F36-W73 AromaticContact CZ-CZ2 3.44Å; F36-W73 HydrophobicContact CZ-CZ2 3.44Å; F36-W73 VanDerWaalsContact CZ-CZ2 3.44Å; F36-W73 AromaticContact CZ-CZ3 3.69Å; F36-W73 HydrophobicContact CZ-CZ3 3.69Å; P39-W73 HydrophobicContact CG-CH2 3.67Å; P39-W73 HydrophobicContact CG-CZ2 3.76Å; A59-W73 HydrophobicContact CB-CH2 3.54Å; A59-W73 HydrophobicContact CB-CZ3 3.76Å; L60-W73 HydrophobicContact CD2-CE3 3.8Å; L60-W73 HydrophobicContact CD2-CZ3 3.75Å; L60-W73 HydrophobicContact CG-CZ3 4.04Å; W73-Y83 HydrophobicContact CZ2-CE2 4.37Å; W73-Y83 PolarHBondContact NE1-OH 2.97Å; W73-I88 HydrophobicContact CB-CG2 3.86Å; W73-I88 HydrophobicContact CD2-CG1 3.93Å; W73-I88 HydrophobicContact CD2-CG2 4.27Å; W73-I88 HydrophobicContact CE3-CG1 3.83Å; W73-I88 HydrophobicContact CE3-CG2 4.17Å; W73-I88 HydrophobicContact CG-CG1 4.45Å; W73-I88 HydrophobicContact CG-CG2 4.18Å; W73-I88 HydrophobicContact CH2-CG1 4.41Å; W73-I88 HydrophobicContact CZ3-CG1 4.09Å; W73-V93 HydrophobicContact CB-CG1 4.03Å; W73-E94 PolarHBondContact N-O 3.47Å; W73-Y95 HydrophobicContact CB-CD2 4.19Å; W73-Y95 AromaticContact CD1-CD2 3.65Å; W73-Y95 AromaticContact CD1-CE2 3.63Å; W73-Y95 AromaticContact CG-CD2 3.99Å; W73-Y95 HydrophobicContact CG-CD2 3.99Å; W73-Y95 HydrophobicContact CG-CE2 4.36Å; W73-Y95 AromaticContact NE1-CE2 3.99Å; W73-V96 PolarHBondContact O-N 3.33Å
74	I	97.1	Very high	87.4	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	111.2	175.2	-56.6	-178.2	0	0	0	109.3	L72 L76 V96 L98 F115 I118 C119 V130 G131 L133	L72-I74 HydrophobicContact CD1-CG1 4.44Å; L72-I74 HydrophobicContact CD2-CD1 3.99Å; L72-I74 HydrophobicContact CD2-CG1 4.01Å; L72-I74 HydrophobicContact CG-CD1 4.5Å; L72-I74 HydrophobicContact CG-CG1 3.98Å; I74-L76 HydrophobicContact CG2-CD2 3.56Å; I74-L76 HydrophobicContact CG2-CG 4.16Å; I74-V96 WeakPolarHBondContact CA-O 3.31Å; I74-L98 HydrophobicContact CG2-CD1 4.21Å; I74-F115 HydrophobicContact CD1-CD2 3.96Å; I74-F115 HydrophobicContact CD1-CE2 3.66Å; I74-F115 HydrophobicContact CD1-CZ 4.46Å; I74-F115 HydrophobicContact CG2-CD2 4.04Å; I74-F115 HydrophobicContact CG2-CE2 4.04Å; I74-I118 HydrophobicContact CD1-CG2 4.1Å; I74-C119 VanDerWaalsContact CD1-SG 3.54Å; I74-V130 HydrophobicContact CD1-CG1 3.67Å; I74-V130 HydrophobicContact CG1-CG1 3.86Å; I74-G131 PolarHBondContact N-O 2.99Å; I74-L133 PolarHBondContact O-N 3.23Å
75	D	95.2	Very high	89.1	Confident	3 Å²	3	55 Å²	55	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	108.2	176.1	-178.3	-9.7	0	0	0	110.7	T77 Y83 Y95 V96 K97 L98	D75-T77 WeakPolarHBondContact OD1-CB 3Å; D75-T77 WeakPolarHBondContact OD1-CG2 3.48Å; D75-T77 PolarHBondContact OD1-N 2.93Å; D75-T77 PolarHBondContact OD1-OG1 2.7Å; D75-Y83 PolarHBondContact OD2-OH 2.88Å; D75-Y83 VanDerWaalsContact OD2-OH 3.08Å; D75-Y95 HydrophobicContact CB-CE2 3.93Å; D75-Y95 WeakPolarHBondContact CB-OH 3.43Å; D75-Y95 PolarHBondContact OD2-OH 2.98Å; D75-V96 PolarHBondContact N-O 3.41Å; D75-K97 HydrophobicContact CB-CD 3.84Å; D75-K97 IonicContact OD1-NZ 2.67Å; D75-K97 PolarHBondContact OD1-NZ 3.01Å; D75-K97 IonicContact OD2-NZ 2.75Å; D75-K97 PolarHBondContact OD2-NZ 2.68Å; D75-L98 PolarHBondContact O-N 3.36Å
76	L	92.3	Very high	91	Very high	24 Å²	24	53.7 Å²	53.7	13%	0.126	26%	0.257	C	S	.	.			trans	-90.9	0.3	-179.7	-55.2	-179.2	0	0	0	113.5	I74 L98 C100 F115 I132 L133 P135	I74-L76 HydrophobicContact CG2-CD2 3.56Å; I74-L76 HydrophobicContact CG2-CG 4.16Å; L76-L98 CarbonylContact C-O 3.56Å; L76-L98 VanDerWaalsContact CA-O 3.25Å; L76-L98 WeakPolarHBondContact CA-O 3.27Å; L76-L98 HydrophobicContact CD2-CB 3.79Å; L76-L98 HydrophobicContact CD2-CD1 4.22Å; L76-L98 HydrophobicContact CD2-CG 4.5Å; L76-C100 HydrophobicContact CB-CB 4.49Å; L76-C100 WeakPolarHBondContact O-CB 3.33Å; L76-C100 PolarHBondContact O-N 3.49Å; L76-F115 HydrophobicContact CD2-CD2 4.34Å; L76-I132 HydrophobicContact CD1-CG2 4.06Å; L76-L133 VanDerWaalsContact CB-O 3.23Å; L76-L133 WeakPolarHBondContact CB-O 3.34Å; L76-L133 PolarHBondContact N-O 3.38Å; L76-P135 HydrophobicContact CB-CG 4.47Å; L76-P135 WeakPolarHBondContact O-CB 3.34Å
77	T	88.8	Confident	92.7	Very high	4 Å²	4	55.8 Å²	55.8	3%	0.025	26%	0.264	C	S	.	.			trans	-75.7	151.3	-176.9	68.2	0	0	0	0	111.7	D75 T79 K97 L133	D75-T77 WeakPolarHBondContact OD1-CB 3Å; D75-T77 WeakPolarHBondContact OD1-CG2 3.48Å; D75-T77 PolarHBondContact OD1-N 2.93Å; D75-T77 PolarHBondContact OD1-OG1 2.7Å; T77-T79 PolarHBondContact O-N 3.08Å; T77-T79 PolarHBondContact OG1-O 2.84Å; T77-K97 WeakPolarHBondContact O-CE 3.49Å; T77-K97 PolarHBondContact O-NZ 2.92Å; T77-K97 PolarHBondContact OG1-NZ 2.83Å; T77-L133 HydrophobicContact CG2-CD1 4.42Å; T77-L133 HydrophobicContact CG2-CD2 3.76Å; T77-L133 HydrophobicContact CG2-CG 3.79Å
78	N	86.7	Confident	93.8	Very high	101 Å²	101	48 Å²	48	54%	0.54	22%	0.222	S	C	.	.	S	Bend	trans	-87.7	25.1	175.8	-161.6	23.6	0	0	0	114	N99	N78-N99 PolarHBondContact OD1-ND2 3Å
79	T	87.9	Confident	94.4	Very high	41 Å²	41	47.3 Å²	47.3	25%	0.252	22%	0.22	S	C	.	.			trans	-145.4	154.9	-179.3	-172.3	0	0	0	0	111.7	T77 R81 F82 K97	T77-T79 PolarHBondContact O-N 3.08Å; T77-T79 PolarHBondContact OG1-O 2.84Å; T79-R81 HydrophobicContact CG2-CG 4.05Å; T79-R81 WeakPolarHBondContact OG1-CB 3.46Å; T79-R81 VanDerWaalsContact OG1-CG 3.31Å; T79-R81 WeakPolarHBondContact OG1-CG 3.29Å; T79-R81 PolarHBondContact OG1-N 2.81Å; T79-F82 HydrophobicContact CG2-CD2 3.51Å; T79-F82 HydrophobicContact CG2-CE2 3.14Å; T79-F82 HydrophobicContact CG2-CG 4.47Å; T79-F82 HydrophobicContact CG2-CZ 3.85Å; T79-K97 PolarHBondContact O-NZ 2.79Å
80	R	91.6	Very high	94.5	Very high	192 Å²	192	47.2 Å²	47.2	73%	0.725	22%	0.224	S	C	*	.	S	Bend	trans	-110.7	10.9	173.6	-60.6	-180	179.8	177.4	-0.7	111.8	F82	R80-F82 VanDerWaalsContact C-N 3.32Å; R80-F82 PolarHBondContact O-N 2.77Å
81	R	91.3	Very high	94.6	Very high	36 Å²	36	49.6 Å²	49.6	14%	0.136	25%	0.245	C	C	.	.			trans	-81.8	1.3	-171.9	81.6	-176.4	-175.4	86.3	-2.8	114.8	L13 G14 R43 Y44 T79	L13-R81 VanDerWaalsContact CB-NH1 3.34Å; L13-R81 PolarHBondContact O-NH1 2.84Å; G14-R81 PolarHBondContact O-NH1 2.84Å; G14-R81 PolarHBondContact O-NH2 3.31Å; R43-R81 PolarHBondContact NE-O 2.86Å; R43-R81 PolarHBondContact NH2-O 3.39Å; Y44-R81 PolarHBondContact OH-NH1 3.2Å; Y44-R81 PolarHBondContact OH-O 2.68Å; T79-R81 HydrophobicContact CG2-CG 4.05Å; T79-R81 WeakPolarHBondContact OG1-CB 3.46Å; T79-R81 VanDerWaalsContact OG1-CG 3.31Å; T79-R81 WeakPolarHBondContact OG1-CG 3.29Å; T79-R81 PolarHBondContact OG1-N 2.81Å
82	F	92.4	Very high	94.5	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.013	27%	0.272	C	S	.	.	S	Bend	trans	-98.1	-39.7	-169.4	-66.5	-50.6	0	0	0	114.4	P16 T38 L40 G41 R43 Y44 T79 R80 L137	P16-F82 HydrophobicContact CB-CZ 4.44Å; P16-F82 HydrophobicContact CG-CD1 4.29Å; P16-F82 HydrophobicContact CG-CE1 3.58Å; P16-F82 HydrophobicContact CG-CE2 4.44Å; P16-F82 HydrophobicContact CG-CZ 3.67Å; T38-F82 HydrophobicContact CG2-CB 3.6Å; T38-F82 HydrophobicContact CG2-CD1 4.37Å; T38-F82 HydrophobicContact CG2-CD2 3.29Å; T38-F82 HydrophobicContact CG2-CE2 3.98Å; T38-F82 HydrophobicContact CG2-CG 3.52Å; L40-F82 HydrophobicContact CD2-CB 4.12Å; L40-F82 HydrophobicContact CD2-CD1 3.58Å; L40-F82 HydrophobicContact CD2-CE1 4.32Å; L40-F82 HydrophobicContact CD2-CG 4.11Å; G41-F82 PolarHBondContact N-O 2.62Å; R43-F82 PolarHBondContact NH2-O 3.1Å; Y44-F82 HydrophobicContact CE2-CD1 4.35Å; Y44-F82 WeakPolarHBondContact CE2-O 3.48Å; T79-F82 HydrophobicContact CG2-CD2 3.51Å; T79-F82 HydrophobicContact CG2-CE2 3.14Å; T79-F82 HydrophobicContact CG2-CG 4.47Å; T79-F82 HydrophobicContact CG2-CZ 3.85Å; R80-F82 VanDerWaalsContact C-N 3.32Å; R80-F82 PolarHBondContact O-N 2.77Å; F82-L137 HydrophobicContact CE2-CD1 4.36Å; F82-L137 HydrophobicContact CE2-CD2 3.9Å; F82-L137 HydrophobicContact CZ-CD1 4.06Å; F82-L137 HydrophobicContact CZ-CD2 4.06Å
83	Y	94.7	Very high	94.5	Very high	14 Å²	14	52.8 Å²	52.8	6%	0.055	28%	0.275	C	S	.	.	S	Bend	trans	-151	172	175	51.1	-86.9	0	0	0	109.7	T38 P39 P56 W73 D75 I88 Y95 L133	T38-Y83 HydrophobicContact CG2-CE1 4.32Å; P39-Y83 HydrophobicContact CB-CD1 4.44Å; P39-Y83 VanDerWaalsContact O-CD1 3.29Å; P39-Y83 WeakPolarHBondContact O-CD1 3.23Å; P56-Y83 VanDerWaalsContact CG-CB 3.49Å; P56-Y83 HydrophobicContact CG-CD2 4.08Å; P56-Y83 HydrophobicContact CG-CG 3.84Å; W73-Y83 HydrophobicContact CZ2-CE2 4.37Å; W73-Y83 PolarHBondContact NE1-OH 2.97Å; D75-Y83 PolarHBondContact OD2-OH 2.88Å; D75-Y83 VanDerWaalsContact OD2-OH 3.08Å; Y83-I88 HydrophobicContact CD2-CD1 3.66Å; Y83-I88 HydrophobicContact CE2-CD1 3.68Å; Y83-Y95 HydrophobicContact CE2-CE2 4.11Å; Y83-L133 HydrophobicContact CE1-CD2 3.93Å; Y83-L133 WeakPolarHBondContact OH-CD2 3.48Å
84	D	95.6	Very high	94.5	Very high	90 Å²	90	56.5 Å²	56.5	48%	0.481	29%	0.293	S	S	.	.			trans	-87.2	127.5	169.6	-169.6	-9.8	0	0	0	109.4	K86 E87	D84-K86 PolarHBondContact O-N 2.83Å; D84-K86 WeakPolarHBondContact OD1-CB 3.34Å; D84-K86 PolarHBondContact OD1-N 2.91Å; D84-E87 HydrophobicContact CB-CG 4.34Å; D84-E87 PolarHBondContact N-OE1 3.27Å; D84-E87 WeakPolarHBondContact O-CB 3.44Å; D84-E87 PolarHBondContact O-N 3.06Å
85	K	96.6	Very high	94.6	Very high	86 Å²	86	58.2 Å²	58.2	37%	0.374	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.3	176.9	66.9	168	-165.9	122.5	0	112	E87 I88 E89 Y95	K85-E87 PolarHBondContact O-N 3.32Å; K85-I88 WeakPolarHBondContact O-CB 3.4Å; K85-I88 PolarHBondContact O-N 3.14Å; K85-E89 IonicContact NZ-OE1 3.98Å; K85-E89 PolarHBondContact NZ-OE1 3.49Å; K85-E89 IonicContact NZ-OE2 2.87Å; K85-E89 PolarHBondContact NZ-OE2 3.41Å; K85-E89 PolarHBondContact O-N 2.89Å; K85-E89 VanDerWaalsContact O-N 3.16Å; K85-Y95 HydrophobicContact CB-CD1 4Å; K85-Y95 HydrophobicContact CB-CD2 4.18Å; K85-Y95 HydrophobicContact CB-CE1 3.82Å; K85-Y95 HydrophobicContact CB-CE2 4.02Å; K85-Y95 HydrophobicContact CB-CG 4.16Å; K85-Y95 HydrophobicContact CD-CD1 3.95Å; K85-Y95 HydrophobicContact CD-CE1 3.9Å
86	K	97	Very high	94.7	Very high	111 Å²	111	59.4 Å²	59.4	48%	0.483	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-31.9	178.5	-177.7	168.5	178.8	162.7	0	112.1	D84 I88 E89 D90	D84-K86 PolarHBondContact O-N 2.83Å; D84-K86 WeakPolarHBondContact OD1-CB 3.34Å; D84-K86 PolarHBondContact OD1-N 2.91Å; K86-I88 PolarHBondContact O-N 2.78Å; K86-E89 PolarHBondContact O-N 2.95Å; K86-D90 WeakPolarHBondContact CE-OD1 3.28Å; K86-D90 WeakPolarHBondContact CE-OD2 3.29Å; K86-D90 WeakPolarHBondContact CG-OD2 3.45Å; K86-D90 VanDerWaalsContact O-CB 3.26Å; K86-D90 WeakPolarHBondContact O-CB 3.48Å; K86-D90 VanDerWaalsContact O-CG 3.26Å; K86-D90 PolarHBondContact O-N 2.99Å
87	E	96.1	Very high	94.8	Very high	73 Å²	73	59.9 Å²	59.9	34%	0.341	31%	0.308	S	S	.	.	H	α-helix	trans	-61	-28.4	175.2	-63.6	174.9	-119.4	0	0	112.7	P56 D84 K85	P56-E87 HydrophobicContact CB-CB 4.45Å; D84-E87 HydrophobicContact CB-CG 4.34Å; D84-E87 PolarHBondContact N-OE1 3.27Å; D84-E87 WeakPolarHBondContact O-CB 3.44Å; D84-E87 PolarHBondContact O-N 3.06Å; K85-E87 PolarHBondContact O-N 3.32Å
88	I	97.7	Very high	95	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-82.5	-46.9	177.5	-67.7	69.7	0	0	0	109.3	P56 W73 Y83 K85 K86 A91 V93 Y95	P56-I88 HydrophobicContact CB-CD1 3.74Å; P56-I88 HydrophobicContact CG-CD1 4.32Å; W73-I88 HydrophobicContact CB-CG2 3.86Å; W73-I88 HydrophobicContact CD2-CG1 3.93Å; W73-I88 HydrophobicContact CD2-CG2 4.27Å; W73-I88 HydrophobicContact CE3-CG1 3.83Å; W73-I88 HydrophobicContact CE3-CG2 4.17Å; W73-I88 HydrophobicContact CG-CG1 4.45Å; W73-I88 HydrophobicContact CG-CG2 4.18Å; W73-I88 HydrophobicContact CH2-CG1 4.41Å; W73-I88 HydrophobicContact CZ3-CG1 4.09Å; Y83-I88 HydrophobicContact CD2-CD1 3.66Å; Y83-I88 HydrophobicContact CE2-CD1 3.68Å; K85-I88 WeakPolarHBondContact O-CB 3.4Å; K85-I88 PolarHBondContact O-N 3.14Å; K86-I88 PolarHBondContact O-N 2.78Å; I88-A91 WeakPolarHBondContact O-CB 3.47Å; I88-A91 PolarHBondContact O-N 2.99Å; I88-V93 HydrophobicContact CG2-CB 3.68Å; I88-V93 HydrophobicContact CG2-CG1 3.67Å; I88-V93 PolarHBondContact O-N 2.99Å; I88-Y95 HydrophobicContact CB-CD2 4.36Å; I88-Y95 HydrophobicContact CG2-CD2 4.23Å
89	E	97.9	Very high	94.9	Very high	78 Å²	78	59.1 Å²	59.1	36%	0.364	30%	0.303	S	S	.	.	H	α-helix	trans	-62.9	-43.7	-179.5	-66.1	170.2	152.6	0	0	111.3	K85 K86 A91 G92	K85-E89 IonicContact NZ-OE1 3.98Å; K85-E89 PolarHBondContact NZ-OE1 3.49Å; K85-E89 IonicContact NZ-OE2 2.87Å; K85-E89 PolarHBondContact NZ-OE2 3.41Å; K85-E89 PolarHBondContact O-N 2.89Å; K85-E89 VanDerWaalsContact O-N 3.16Å; K86-E89 PolarHBondContact O-N 2.95Å; E89-A91 PolarHBondContact O-N 3.49Å; E89-G92 PolarHBondContact O-N 3.36Å
90	D	97.5	Very high	94.4	Very high	119 Å²	119	57.8 Å²	57.8	64%	0.636	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.8	177.4	-71.9	-9	0	0	0	112.5	K86 G92	K86-D90 WeakPolarHBondContact CE-OD1 3.28Å; K86-D90 WeakPolarHBondContact CE-OD2 3.29Å; K86-D90 WeakPolarHBondContact CG-OD2 3.45Å; K86-D90 VanDerWaalsContact O-CB 3.26Å; K86-D90 WeakPolarHBondContact O-CB 3.48Å; K86-D90 VanDerWaalsContact O-CG 3.26Å; K86-D90 PolarHBondContact O-N 2.99Å; D90-G92 PolarHBondContact O-N 3.28Å
91	A	96.2	Very high	93.4	Very high	59 Å²	59	55.1 Å²	55.1	49%	0.488	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	4.4	172.7	0	0	0	0	0	113.2	L60 I88 E89	L60-A91 HydrophobicContact CD1-CB 3.58Å; I88-A91 WeakPolarHBondContact O-CB 3.47Å; I88-A91 PolarHBondContact O-N 2.99Å; E89-A91 PolarHBondContact O-N 3.49Å
92	G	96.6	Very high	92.2	Very high	64 Å²	64	54.4 Å²	54.4	66%	0.66	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	21.7	-179.8	0	0	0	0	0	114	E89 D90	E89-G92 PolarHBondContact O-N 3.36Å; D90-G92 PolarHBondContact O-N 3.28Å
93	V	97.9	Very high	91	Very high	11 Å²	11	63.9 Å²	63.9	7%	0.067	34%	0.335	C	S	.	.			trans	-104.5	131.2	178.7	177.1	0	0	0	0	110	L60 I70 W73 I88 Y95	L60-V93 HydrophobicContact CD2-CB 4.35Å; L60-V93 HydrophobicContact CD2-CG1 4.36Å; L60-V93 HydrophobicContact CD2-CG2 3.79Å; I70-V93 HydrophobicContact CG2-CG1 3.99Å; I70-V93 VanDerWaalsContact O-CG2 3.3Å; I70-V93 WeakPolarHBondContact O-CG2 3.18Å; W73-V93 HydrophobicContact CB-CG1 4.03Å; I88-V93 HydrophobicContact CG2-CB 3.68Å; I88-V93 HydrophobicContact CG2-CG1 3.67Å; I88-V93 PolarHBondContact O-N 2.99Å; V93-Y95 PolarHBondContact O-N 2.96Å
94	E	98.1	Very high	89.5	Confident	78 Å²	78	66 Å²	66	36%	0.364	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	131.4	175.8	-174.4	178.8	154.5	0	0	109.8	G71 L72 W73 R125	G71-E94 PolarHBondContact O-N 3.25Å; L72-E94 CarbonylContact C-O 3.57Å; L72-E94 WeakPolarHBondContact CA-O 3.48Å; L72-E94 HydrophobicContact CD1-CB 3.87Å; L72-E94 HydrophobicContact CD1-CG 3.76Å; W73-E94 PolarHBondContact N-O 3.47Å; E94-R125 IonicContact OE1-NH2 3.36Å; E94-R125 PolarHBondContact OE1-NH2 3.46Å; E94-R125 IonicContact OE2-CZ 2.84Å; E94-R125 IonicContact OE2-NE 3.65Å; E94-R125 IonicContact OE2-NH2 2.68Å; E94-R125 PolarHBondContact OE2-NH2 3.05Å
95	Y	98.4	Very high	88.3	Confident	35 Å²	35	66.7 Å²	66.7	14%	0.137	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.1	-179.6	-179.2	-88.6	0	0	0	111.1	W73 D75 Y83 K85 I88 V93 K97	W73-Y95 HydrophobicContact CB-CD2 4.19Å; W73-Y95 AromaticContact CD1-CD2 3.65Å; W73-Y95 AromaticContact CD1-CE2 3.63Å; W73-Y95 AromaticContact CG-CD2 3.99Å; W73-Y95 HydrophobicContact CG-CD2 3.99Å; W73-Y95 HydrophobicContact CG-CE2 4.36Å; W73-Y95 AromaticContact NE1-CE2 3.99Å; D75-Y95 HydrophobicContact CB-CE2 3.93Å; D75-Y95 WeakPolarHBondContact CB-OH 3.43Å; D75-Y95 PolarHBondContact OD2-OH 2.98Å; Y83-Y95 HydrophobicContact CE2-CE2 4.11Å; K85-Y95 HydrophobicContact CB-CD1 4Å; K85-Y95 HydrophobicContact CB-CD2 4.18Å; K85-Y95 HydrophobicContact CB-CE1 3.82Å; K85-Y95 HydrophobicContact CB-CE2 4.02Å; K85-Y95 HydrophobicContact CB-CG 4.16Å; K85-Y95 HydrophobicContact CD-CD1 3.95Å; K85-Y95 HydrophobicContact CD-CE1 3.9Å; I88-Y95 HydrophobicContact CB-CD2 4.36Å; I88-Y95 HydrophobicContact CG2-CD2 4.23Å; V93-Y95 PolarHBondContact O-N 2.96Å; Y95-K97 HydrophobicContact CE1-CB 4.06Å; Y95-K97 WeakPolarHBondContact OH-CD 3.23Å
96	V	97.3	Very high	87.4	Confident	28 Å²	28	68 Å²	68	17%	0.17	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.8	175.8	179.4	0	0	0	0	110.2	L72 W73 I74 D75 L98 I118	L72-V96 HydrophobicContact CD1-CB 4.4Å; L72-V96 HydrophobicContact CD1-CG2 3.76Å; W73-V96 PolarHBondContact O-N 3.33Å; I74-V96 WeakPolarHBondContact CA-O 3.31Å; D75-V96 PolarHBondContact N-O 3.41Å; V96-L98 HydrophobicContact CG1-CD2 4.28Å; V96-L98 HydrophobicContact CG1-CG 4.18Å; V96-I118 HydrophobicContact CG1-CD1 3.76Å; V96-I118 HydrophobicContact CG2-CG2 4.45Å
97	K	95.2	Very high	86.8	Confident	35 Å²	35	65.4 Å²	65.4	15%	0.152	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	114.9	175.6	-171.4	76.3	170.6	172.8	0	109.3	D75 T77 T79 Y95 N99	D75-K97 HydrophobicContact CB-CD 3.84Å; D75-K97 IonicContact OD1-NZ 2.67Å; D75-K97 PolarHBondContact OD1-NZ 3.01Å; D75-K97 IonicContact OD2-NZ 2.75Å; D75-K97 PolarHBondContact OD2-NZ 2.68Å; T77-K97 WeakPolarHBondContact O-CE 3.49Å; T77-K97 PolarHBondContact O-NZ 2.92Å; T77-K97 PolarHBondContact OG1-NZ 2.83Å; T79-K97 PolarHBondContact O-NZ 2.79Å; Y95-K97 HydrophobicContact CE1-CB 4.06Å; Y95-K97 WeakPolarHBondContact OH-CD 3.23Å; K97-N99 VanDerWaalsContact CG-OD1 3.23Å; K97-N99 WeakPolarHBondContact CG-OD1 3.49Å
98	L	92.4	Very high	86.4	Confident	20 Å²	20	64.2 Å²	64.2	11%	0.105	37%	0.374	C	S	.	.			trans	-113.5	99.9	169.5	-60.7	176.6	0	0	0	107.8	I74 D75 L76 V96 C100 E114 F115 I118	I74-L98 HydrophobicContact CG2-CD1 4.21Å; D75-L98 PolarHBondContact O-N 3.36Å; L76-L98 CarbonylContact C-O 3.56Å; L76-L98 VanDerWaalsContact CA-O 3.25Å; L76-L98 WeakPolarHBondContact CA-O 3.27Å; L76-L98 HydrophobicContact CD2-CB 3.79Å; L76-L98 HydrophobicContact CD2-CD1 4.22Å; L76-L98 HydrophobicContact CD2-CG 4.5Å; V96-L98 HydrophobicContact CG1-CD2 4.28Å; V96-L98 HydrophobicContact CG1-CG 4.18Å; L98-C100 VanDerWaalsContact C-N 3.34Å; L98-C100 PolarHBondContact O-N 3.29Å; L98-E114 HydrophobicContact CD2-CG 3.73Å; L98-F115 HydrophobicContact CD1-CB 3.79Å; L98-F115 HydrophobicContact CD1-CD2 4.06Å; L98-F115 HydrophobicContact CD1-CG 4.44Å; L98-I118 HydrophobicContact CD1-CD1 3.93Å; L98-I118 HydrophobicContact CD2-CD1 3.91Å; L98-I118 HydrophobicContact CG-CD1 4.25Å
99	N	83.9	Confident	86.1	Confident	69 Å²	69	70.6 Å²	70.6	37%	0.369	40%	0.403	S	S	.	.			trans	-68	87.1	-175.3	-75.7	61.8	0	0	0	111.7	N78 K97 Q111	N78-N99 PolarHBondContact OD1-ND2 3Å; K97-N99 VanDerWaalsContact CG-OD1 3.23Å; K97-N99 WeakPolarHBondContact CG-OD1 3.49Å; N99-Q111 PolarHBondContact O-NE2 3.08Å
100	C	78.4	Confident	85.8	Confident	12 Å²	12	73.1 Å²	73.1	8%	0.081	42%	0.415	C	S	.	.			trans	-75.3	135.3	167.3	-63.8	0	0	0	0	109.1	L76 L98 P135	L76-C100 HydrophobicContact CB-CB 4.49Å; L76-C100 WeakPolarHBondContact O-CB 3.33Å; L76-C100 PolarHBondContact O-N 3.49Å; L98-C100 VanDerWaalsContact C-N 3.34Å; L98-C100 PolarHBondContact O-N 3.29Å; C100-P135 HydrophobicContact CB-CB 4.1Å; C100-P135 HydrophobicContact CB-CG 4.21Å
101	K	71.4	Confident	85.5	Confident	136 Å²	136	69.7 Å²	69.7	59%	0.591	40%	0.396	S	S	*	.			trans	-63.9	143.9	171.2	-67.4	-179.6	-178.7	176.7	0	108.8	E105	K101-E105 HydrophobicContact CB-CB 4.32Å; K101-E105 VanDerWaalsContact CB-OE2 3.31Å; K101-E105 WeakPolarHBondContact CB-OE2 3.33Å; K101-E105 WeakPolarHBondContact CD-OE2 3.19Å
102	G	64.4	Low	85.3	Confident	22 Å²	22	70 Å²	70	23%	0.227	39%	0.391	C	S	.	.	S	Bend	trans	-77.5	-162.9	177	0	0	0	0	0	112.3	G104 E105	G102-G104 PolarHBondContact O-N 2.78Å; G102-E105 PolarHBondContact O-N 3.24Å
103	F	68.6	Low	85.3	Confident	202 Å²	202	72.3 Å²	72.3	89%	0.886	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	25.6	168.2	-62.2	-80.9	0	0	0	117.7	E105	F103-E105 VanDerWaalsContact C-N 3.26Å; F103-E105 PolarHBondContact O-N 2.77Å
104	G	61.5	Low	85.2	Confident	57 Å²	57	74.8 Å²	74.8	59%	0.588	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	8.9	176.2	0	0	0	0	0	113.6	G102	G102-G104 PolarHBondContact O-N 2.78Å
105	E	71.6	Confident	85.1	Confident	106 Å²	106	73.4 Å²	73.4	50%	0.495	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-68.5	130.9	166.7	-65.3	-175.7	-168.5	0	0	109.6	K101 G102 F103	K101-E105 HydrophobicContact CB-CB 4.32Å; K101-E105 VanDerWaalsContact CB-OE2 3.31Å; K101-E105 WeakPolarHBondContact CB-OE2 3.33Å; K101-E105 WeakPolarHBondContact CD-OE2 3.19Å; G102-E105 PolarHBondContact O-N 3.24Å; F103-E105 VanDerWaalsContact C-N 3.26Å; F103-E105 PolarHBondContact O-N 2.77Å
106	C	78.1	Confident	85	Confident	114 Å²	114	75.7 Å²	75.7	77%	0.77	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-64.8	141.5	172.9	-165.2	0	0	0	0	109
107	P	84.2	Confident	85	Confident	56 Å²	56	81 Å²	81	36%	0.364	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-55.7	144.6	166.8	26.1	-35.6	0	0	0	110.3	Q111 V112	P107-Q111 HydrophobicContact CB-CB 4.13Å; P107-V112 HydrophobicContact CB-CG2 3.98Å; P107-V112 HydrophobicContact CG-CG2 3.73Å
108	S	88	Confident	85.2	Confident	48 Å²	48	79.9 Å²	79.9	34%	0.336	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-62.4	157.7	169.9	56.4	0	0	0	0	111.2	E110 Q111 V112	S108-E110 WeakPolarHBondContact CB-OE2 3.37Å; S108-E110 PolarHBondContact O-N 3.12Å; S108-Q111 WeakPolarHBondContact O-CB 3.48Å; S108-Q111 PolarHBondContact O-N 3.38Å; S108-Q111 VanDerWaalsContact O-N 3.1Å; S108-Q111 WeakPolarHBondContact OG-CB 3.24Å; S108-Q111 WeakPolarHBondContact OG-CG 3.15Å; S108-Q111 PolarHBondContact OG-N 2.63Å; S108-Q111 PolarHBondContact OG-OE1 2.86Å; S108-V112 WeakPolarHBondContact O-CG2 3.38Å; S108-V112 PolarHBondContact O-N 3.15Å
109	E	91	Very high	85.4	Confident	133 Å²	133	79.3 Å²	79.3	62%	0.621	42%	0.416	S	S	*	.	H	α-helix	trans	-57.6	-40.4	177.8	-176.7	171.8	-176.6	0	0	111.2	Q111 V112 Q113	E109-Q111 VanDerWaalsContact C-N 3.33Å; E109-Q111 PolarHBondContact O-N 3.32Å; E109-V112 PolarHBondContact O-N 3.12Å; E109-Q113 HydrophobicContact CG-CG 4.33Å; E109-Q113 WeakPolarHBondContact O-CB 3.37Å; E109-Q113 VanDerWaalsContact O-CG 3.3Å; E109-Q113 WeakPolarHBondContact O-CG 3.36Å; E109-Q113 PolarHBondContact O-N 2.94Å; E109-Q113 PolarHBondContact OE1-NE2 2.81Å; E109-Q113 VanDerWaalsContact OE1-NE2 3.16Å
110	E	91.4	Very high	86.1	Confident	131 Å²	131	82.2 Å²	82.2	61%	0.612	43%	0.426	S	S	*	.	H	α-helix	trans	-62.1	-40.3	177.4	-61	77.5	-170.6	0	0	111.7	S108 Q113 E114	S108-E110 WeakPolarHBondContact CB-OE2 3.37Å; S108-E110 PolarHBondContact O-N 3.12Å; E110-Q113 PolarHBondContact O-N 2.97Å; E110-E114 WeakPolarHBondContact O-CB 3.47Å; E110-E114 PolarHBondContact O-N 3.22Å
111	Q	90.7	Very high	87	Confident	48 Å²	48	84 Å²	84	22%	0.224	44%	0.438	C	S	.	.	H	α-helix	trans	-66.1	-39.2	176	-76.2	167.7	-39.4	0	0	112.2	N99 P107 S108 E109 F115	N99-Q111 PolarHBondContact O-NE2 3.08Å; P107-Q111 HydrophobicContact CB-CB 4.13Å; S108-Q111 WeakPolarHBondContact O-CB 3.48Å; S108-Q111 PolarHBondContact O-N 3.38Å; S108-Q111 VanDerWaalsContact O-N 3.1Å; S108-Q111 WeakPolarHBondContact OG-CB 3.24Å; S108-Q111 WeakPolarHBondContact OG-CG 3.15Å; S108-Q111 PolarHBondContact OG-N 2.63Å; S108-Q111 PolarHBondContact OG-OE1 2.86Å; E109-Q111 VanDerWaalsContact C-N 3.33Å; E109-Q111 PolarHBondContact O-N 3.32Å; Q111-F115 VanDerWaalsContact O-CB 3.31Å; Q111-F115 WeakPolarHBondContact O-CB 3.2Å; Q111-F115 PolarHBondContact O-N 3.03Å
112	V	93.1	Very high	88.3	Confident	66 Å²	66	77.7 Å²	77.7	40%	0.4	41%	0.411	S	S	.	.	H	α-helix	trans	-66.1	-48.5	176.4	175.2	0	0	0	0	110.2	P107 S108 E109 E114 F115 V116	P107-V112 HydrophobicContact CB-CG2 3.98Å; P107-V112 HydrophobicContact CG-CG2 3.73Å; S108-V112 WeakPolarHBondContact O-CG2 3.38Å; S108-V112 PolarHBondContact O-N 3.15Å; E109-V112 PolarHBondContact O-N 3.12Å; V112-E114 VanDerWaalsContact C-N 3.3Å; V112-E114 PolarHBondContact O-N 2.97Å; V112-F115 PolarHBondContact O-N 3Å; V112-V116 HydrophobicContact CG1-CG2 4.49Å; V112-V116 VanDerWaalsContact O-CG2 3.31Å; V112-V116 WeakPolarHBondContact O-CG2 3.38Å; V112-V116 PolarHBondContact O-N 2.8Å
113	Q	95.8	Very high	89.8	Confident	111 Å²	111	79.6 Å²	79.6	52%	0.519	42%	0.42	S	S	.	.	H	α-helix	trans	-58.6	-43.8	177.9	-71.7	177.1	5.7	0	0	111.3	E109 E110 V116 R117	E109-Q113 HydrophobicContact CG-CG 4.33Å; E109-Q113 WeakPolarHBondContact O-CB 3.37Å; E109-Q113 VanDerWaalsContact O-CG 3.3Å; E109-Q113 WeakPolarHBondContact O-CG 3.36Å; E109-Q113 PolarHBondContact O-N 2.94Å; E109-Q113 PolarHBondContact OE1-NE2 2.81Å; E109-Q113 VanDerWaalsContact OE1-NE2 3.16Å; E110-Q113 PolarHBondContact O-N 2.97Å; Q113-V116 PolarHBondContact O-N 2.99Å; Q113-R117 WeakPolarHBondContact O-CB 3.26Å; Q113-R117 PolarHBondContact O-N 3.03Å
114	E	95.7	Very high	91.2	Very high	64 Å²	64	76.6 Å²	76.6	30%	0.299	41%	0.409	S	S	.	.	H	α-helix	trans	-65.7	-45.5	178.3	-179.8	57.9	-171.1	0	0	111.9	L98 E110 V112 V116 R117 I118	L98-E114 HydrophobicContact CD2-CG 3.73Å; E110-E114 WeakPolarHBondContact O-CB 3.47Å; E110-E114 PolarHBondContact O-N 3.22Å; V112-E114 VanDerWaalsContact C-N 3.3Å; V112-E114 PolarHBondContact O-N 2.97Å; E114-V116 VanDerWaalsContact C-N 3.32Å; E114-V116 PolarHBondContact O-N 3.31Å; E114-R117 VanDerWaalsContact CD-NH2 3.29Å; E114-R117 PolarHBondContact O-N 3.2Å; E114-R117 IonicContact OE1-CZ 2.74Å; E114-R117 IonicContact OE1-NE 2.74Å; E114-R117 IonicContact OE1-NH2 3.31Å; E114-R117 PolarHBondContact OE1-NH2 3.06Å; E114-R117 IonicContact OE2-CZ 3.64Å; E114-R117 IonicContact OE2-NE 3.8Å; E114-R117 PolarHBondContact OE2-NE 2.7Å; E114-R117 IonicContact OE2-NH2 2.68Å; E114-R117 PolarHBondContact OE2-NH2 2.96Å; E114-R117 VanDerWaalsContact OE2-NH2 3.14Å; E114-I118 HydrophobicContact CG-CD1 3.82Å; E114-I118 WeakPolarHBondContact O-CD1 3.19Å; E114-I118 VanDerWaalsContact O-CG1 3.31Å; E114-I118 WeakPolarHBondContact O-CG1 3.08Å; E114-I118 PolarHBondContact O-N 2.87Å; E114-I118 WeakPolarHBondContact OE1-CD1 3.46Å
115	F	95.6	Very high	92.9	Very high	48 Å²	48	79.6 Å²	79.6	21%	0.211	40%	0.403	C	S	.	.	H	α-helix	trans	-55.3	-47.3	174	175.7	-90.7	0	0	0	111.7	F33 I74 L76 L98 Q111 V112 I118 C119 I132	F33-F115 HydrophobicContact CE1-CZ 4.2Å; I74-F115 HydrophobicContact CD1-CD2 3.96Å; I74-F115 HydrophobicContact CD1-CE2 3.66Å; I74-F115 HydrophobicContact CD1-CZ 4.46Å; I74-F115 HydrophobicContact CG2-CD2 4.04Å; I74-F115 HydrophobicContact CG2-CE2 4.04Å; L76-F115 HydrophobicContact CD2-CD2 4.34Å; L98-F115 HydrophobicContact CD1-CB 3.79Å; L98-F115 HydrophobicContact CD1-CD2 4.06Å; L98-F115 HydrophobicContact CD1-CG 4.44Å; Q111-F115 VanDerWaalsContact O-CB 3.31Å; Q111-F115 WeakPolarHBondContact O-CB 3.2Å; Q111-F115 PolarHBondContact O-N 3.03Å; V112-F115 PolarHBondContact O-N 3Å; F115-I118 PolarHBondContact O-N 3.09Å; F115-C119 WeakPolarHBondContact O-CB 3.5Å; F115-C119 PolarHBondContact O-N 3.04Å; F115-C119 PolarHBondContact O-SG 3.48Å; F115-I132 HydrophobicContact CE2-CD1 4.21Å; F115-I132 HydrophobicContact CZ-CD1 3.77Å
116	V	96.9	Very high	94.1	Very high	83 Å²	83	76.1 Å²	76.1	50%	0.503	39%	0.39	S	S	.	.	H	α-helix	trans	-62.5	-45.1	178.5	170.7	0	0	0	0	110.9	V112 Q113 E114 I118 C119 K120	V112-V116 HydrophobicContact CG1-CG2 4.49Å; V112-V116 VanDerWaalsContact O-CG2 3.31Å; V112-V116 WeakPolarHBondContact O-CG2 3.38Å; V112-V116 PolarHBondContact O-N 2.8Å; Q113-V116 PolarHBondContact O-N 2.99Å; E114-V116 VanDerWaalsContact C-N 3.32Å; E114-V116 PolarHBondContact O-N 3.31Å; V116-I118 PolarHBondContact O-N 3.04Å; V116-C119 PolarHBondContact O-N 3.14Å; V116-K120 WeakPolarHBondContact O-CB 3.44Å; V116-K120 PolarHBondContact O-N 2.88Å
117	R	98	Very high	94.8	Very high	139 Å²	139	78.3 Å²	78.3	53%	0.525	39%	0.394	S	S	.	.	H	α-helix	trans	-59.3	-47.2	178.8	-172.1	-170.5	70	78.5	1.2	111.7	Q113 E114 S121	Q113-R117 WeakPolarHBondContact O-CB 3.26Å; Q113-R117 PolarHBondContact O-N 3.03Å; E114-R117 VanDerWaalsContact CD-NH2 3.29Å; E114-R117 PolarHBondContact O-N 3.2Å; E114-R117 IonicContact OE1-CZ 2.74Å; E114-R117 IonicContact OE1-NE 2.74Å; E114-R117 IonicContact OE1-NH2 3.31Å; E114-R117 PolarHBondContact OE1-NH2 3.06Å; E114-R117 IonicContact OE2-CZ 3.64Å; E114-R117 IonicContact OE2-NE 3.8Å; E114-R117 PolarHBondContact OE2-NE 2.7Å; E114-R117 IonicContact OE2-NH2 2.68Å; E114-R117 PolarHBondContact OE2-NH2 2.96Å; E114-R117 VanDerWaalsContact OE2-NH2 3.14Å; R117-S121 VanDerWaalsContact O-CB 3.28Å; R117-S121 WeakPolarHBondContact O-CB 3.35Å; R117-S121 PolarHBondContact O-N 3.17Å
118	I	98.1	Very high	95.3	Very high	12 Å²	12	79.3 Å²	79.3	6%	0.062	39%	0.393	C	S	.	.	H	α-helix	trans	-59.8	-50.4	177.6	-70.8	156.7	0	0	0	110.4	L72 I74 V96 L98 E114 F115 V116 K120 S121 F122	L72-I118 HydrophobicContact CD2-CG2 3.72Å; I74-I118 HydrophobicContact CD1-CG2 4.1Å; V96-I118 HydrophobicContact CG1-CD1 3.76Å; V96-I118 HydrophobicContact CG2-CG2 4.45Å; L98-I118 HydrophobicContact CD1-CD1 3.93Å; L98-I118 HydrophobicContact CD2-CD1 3.91Å; L98-I118 HydrophobicContact CG-CD1 4.25Å; E114-I118 HydrophobicContact CG-CD1 3.82Å; E114-I118 WeakPolarHBondContact O-CD1 3.19Å; E114-I118 VanDerWaalsContact O-CG1 3.31Å; E114-I118 WeakPolarHBondContact O-CG1 3.08Å; E114-I118 PolarHBondContact O-N 2.87Å; E114-I118 WeakPolarHBondContact OE1-CD1 3.46Å; F115-I118 PolarHBondContact O-N 3.09Å; V116-I118 PolarHBondContact O-N 3.04Å; I118-K120 PolarHBondContact O-N 2.87Å; I118-S121 PolarHBondContact O-N 2.92Å; I118-F122 WeakPolarHBondContact O-CB 3.38Å; I118-F122 PolarHBondContact O-N 3.02Å
119	C	97.8	Very high	95.7	Very high	8 Å²	8	77.1 Å²	77.1	5%	0.054	38%	0.377	C	S	.	.	H	α-helix	trans	-63.5	-43.6	-177.7	-67	0	0	0	0	112.1	F32 F33 I74 F115 V116 F122 S123	F32-C119 HydrophobicContact CE1-CB 4.32Å; F33-C119 HydrophobicContact CE1-CB 4.26Å; F33-C119 HydrophobicContact CZ-CB 4.32Å; I74-C119 VanDerWaalsContact CD1-SG 3.54Å; F115-C119 WeakPolarHBondContact O-CB 3.5Å; F115-C119 PolarHBondContact O-N 3.04Å; F115-C119 PolarHBondContact O-SG 3.48Å; V116-C119 PolarHBondContact O-N 3.14Å; C119-F122 PolarHBondContact O-N 3.12Å; C119-S123 PolarHBondContact O-N 2.74Å; C119-S123 PolarHBondContact O-OG 2.73Å
120	K	97.6	Very high	96	Very high	131 Å²	131	70.8 Å²	70.8	57%	0.57	35%	0.347	S	S	*	.	H	α-helix	trans	-60.9	-51.2	176.7	-177.7	178	177	-177.3	0	111	V116 I118 F122 S123 E124	V116-K120 WeakPolarHBondContact O-CB 3.44Å; V116-K120 PolarHBondContact O-N 2.88Å; I118-K120 PolarHBondContact O-N 2.87Å; K120-F122 PolarHBondContact O-N 3.26Å; K120-S123 PolarHBondContact O-N 2.79Å; K120-S123 VanDerWaalsContact O-N 3.13Å; K120-S123 PolarHBondContact O-OG 3.1Å; K120-E124 WeakPolarHBondContact CE-OE1 3.29Å; K120-E124 WeakPolarHBondContact O-CG 3.33Å; K120-E124 PolarHBondContact O-N 3.01Å
121	S	98	Very high	96.2	Very high	48 Å²	48	64.5 Å²	64.5	34%	0.336	32%	0.318	S	S	.	.	H	α-helix	trans	-59.2	-35.5	178.5	179.2	0	0	0	0	112.3	R117 I118 R125	R117-S121 VanDerWaalsContact O-CB 3.28Å; R117-S121 WeakPolarHBondContact O-CB 3.35Å; R117-S121 PolarHBondContact O-N 3.17Å; I118-S121 PolarHBondContact O-N 2.92Å; S121-R125 WeakPolarHBondContact O-CG 3.28Å; S121-R125 PolarHBondContact O-NH1 2.89Å; S121-R125 PolarHBondContact OG-NH1 3.07Å
122	F	98.3	Very high	96.4	Very high	5 Å²	5	63.5 Å²	63.5	2%	0.022	31%	0.314	C	S	.	.	H	α-helix	trans	-70.4	-43.1	175.9	-178.6	-101.6	0	0	0	112.2	F32 L72 I118 C119 K120 E124 R125 S126 K128 V130	F32-F122 AromaticContact CE2-CD1 3.99Å; F32-F122 HydrophobicContact CE2-CD1 3.99Å; F32-F122 HydrophobicContact CE2-CE1 4.28Å; F32-F122 AromaticContact CZ-CD1 3.9Å; F32-F122 HydrophobicContact CZ-CD1 3.9Å; L72-F122 HydrophobicContact CB-CD1 4.01Å; L72-F122 HydrophobicContact CB-CD2 3.69Å; L72-F122 HydrophobicContact CB-CE1 3.91Å; L72-F122 HydrophobicContact CB-CE2 3.6Å; L72-F122 HydrophobicContact CB-CG 3.9Å; L72-F122 HydrophobicContact CB-CZ 3.71Å; L72-F122 HydrophobicContact CD2-CB 3.8Å; L72-F122 HydrophobicContact CD2-CD1 4.19Å; L72-F122 HydrophobicContact CD2-CD2 4.14Å; L72-F122 HydrophobicContact CD2-CG 3.77Å; L72-F122 HydrophobicContact CG-CD2 4.45Å; L72-F122 HydrophobicContact CG-CG 4.47Å; I118-F122 WeakPolarHBondContact O-CB 3.38Å; I118-F122 PolarHBondContact O-N 3.02Å; C119-F122 PolarHBondContact O-N 3.12Å; K120-F122 PolarHBondContact O-N 3.26Å; F122-E124 PolarHBondContact O-N 3.43Å; F122-R125 WeakPolarHBondContact O-CG 3.48Å; F122-R125 PolarHBondContact O-N 3.2Å; F122-R125 VanDerWaalsContact O-N 3.1Å; F122-S126 PolarHBondContact O-N 3.25Å; F122-S126 VanDerWaalsContact O-N 3.11Å; F122-K128 WeakPolarHBondContact CE1-O 3.34Å; F122-K128 HydrophobicContact CZ-CB 4.03Å; F122-V130 HydrophobicContact CD1-CG2 3.53Å; F122-V130 HydrophobicContact CE1-CG2 3.84Å; F122-V130 HydrophobicContact CG-CG2 4.47Å
123	S	96.8	Very high	96.3	Very high	61 Å²	61	60.3 Å²	60.3	43%	0.427	30%	0.295	S	S	.	.	H	α-helix	trans	-62.5	-24.8	178.4	68.9	0	0	0	0	114	C119 K120	C119-S123 PolarHBondContact O-N 2.74Å; C119-S123 PolarHBondContact O-OG 2.73Å; K120-S123 PolarHBondContact O-N 2.79Å; K120-S123 VanDerWaalsContact O-N 3.13Å; K120-S123 PolarHBondContact O-OG 3.1Å
124	E	97.5	Very high	95.8	Very high	140 Å²	140	57 Å²	57	65%	0.654	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-17.5	178	-70.5	168.7	178.5	0	0	113	K120 F122	K120-E124 WeakPolarHBondContact CE-OE1 3.29Å; K120-E124 WeakPolarHBondContact O-CG 3.33Å; K120-E124 PolarHBondContact O-N 3.01Å; F122-E124 PolarHBondContact O-N 3.43Å
125	R	96.8	Very high	94.9	Very high	120 Å²	120	55.1 Å²	55.1	45%	0.453	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-9.8	-174	69.7	175.1	177.3	-97.3	8.4	115	E94 S121 F122	E94-R125 IonicContact OE1-NH2 3.36Å; E94-R125 PolarHBondContact OE1-NH2 3.46Å; E94-R125 IonicContact OE2-CZ 2.84Å; E94-R125 IonicContact OE2-NE 3.65Å; E94-R125 IonicContact OE2-NH2 2.68Å; E94-R125 PolarHBondContact OE2-NH2 3.05Å; S121-R125 WeakPolarHBondContact O-CG 3.28Å; S121-R125 PolarHBondContact O-NH1 2.89Å; S121-R125 PolarHBondContact OG-NH1 3.07Å; F122-R125 WeakPolarHBondContact O-CG 3.48Å; F122-R125 PolarHBondContact O-N 3.2Å; F122-R125 VanDerWaalsContact O-N 3.1Å
126	S	95.7	Very high	93.7	Very high	32 Å²	32	58 Å²	58	22%	0.224	29%	0.289	C	S	.	.			trans	-149.6	139.2	-173.5	-165.1	0	0	0	0	112.6	F122 K128	F122-S126 PolarHBondContact O-N 3.25Å; F122-S126 VanDerWaalsContact O-N 3.11Å; S126-K128 VanDerWaalsContact C-N 3.27Å; S126-K128 WeakPolarHBondContact OG-CB 3.41Å; S126-K128 PolarHBondContact OG-N 3.28Å
127	D	93.8	Very high	91.7	Very high	161 Å²	161	56.4 Å²	56.4	86%	0.861	28%	0.277	S	S	*	.	S	Bend	trans	-83.6	-3.1	170.9	-61.2	-46	0	0	0	113.3
128	K	95.3	Very high	89.7	Confident	77 Å²	77	54.5 Å²	54.5	34%	0.335	27%	0.273	S	S	.	.	S	Bend	trans	-71.9	165.1	176.9	-65.8	-168.7	-173.9	-153	0	111	E69 F122 S126	E69-K128 HydrophobicContact CB-CD 4.2Å; E69-K128 HydrophobicContact CB-CG 4.39Å; E69-K128 WeakPolarHBondContact O-CB 3.48Å; E69-K128 WeakPolarHBondContact OE2-CE 3.25Å; E69-K128 IonicContact OE2-NZ 3.14Å; E69-K128 PolarHBondContact OE2-NZ 3.15Å; F122-K128 WeakPolarHBondContact CE1-O 3.34Å; F122-K128 HydrophobicContact CZ-CB 4.03Å; S126-K128 VanDerWaalsContact C-N 3.27Å; S126-K128 WeakPolarHBondContact OG-CB 3.41Å; S126-K128 PolarHBondContact OG-N 3.28Å
129	I	95.6	Very high	87.3	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	161.5	179.9	58	167.1	0	0	0	112.5	V28 F32 L34 K68 E69 I70 G71	V28-I129 HydrophobicContact CG2-CD1 4.29Å; F32-I129 WeakPolarHBondContact O-CA 3.17Å; F32-I129 VanDerWaalsContact O-CB 3.27Å; F32-I129 WeakPolarHBondContact O-CB 3.4Å; L34-I129 HydrophobicContact CB-CD1 3.83Å; L34-I129 HydrophobicContact CD2-CD1 3.94Å; K68-I129 HydrophobicContact CB-CD1 4.13Å; K68-I129 HydrophobicContact CB-CG1 4.15Å; K68-I129 HydrophobicContact CB-CG2 3.77Å; K68-I129 HydrophobicContact CD-CG2 3.45Å; K68-I129 VanDerWaalsContact CD-CG2 3.45Å; K68-I129 HydrophobicContact CG-CG2 4.27Å; E69-I129 VanDerWaalsContact O-CG1 3.25Å; E69-I129 WeakPolarHBondContact O-CG1 3.45Å; E69-I129 PolarHBondContact O-N 3.26Å; I70-I129 WeakPolarHBondContact CA-O 3.38Å; I70-I129 HydrophobicContact CG1-CD1 4.25Å; I70-I129 HydrophobicContact CG1-CG1 4.16Å; G71-I129 PolarHBondContact N-O 3.24Å
130	V	96.6	Very high	84.9	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	115.9	175.4	-177.4	0	0	0	0	109.5	F32 F33 L34 L72 I74 F122 I132	F32-V130 HydrophobicContact CD1-CG2 4.35Å; F32-V130 HydrophobicContact CE1-CG2 3.66Å; F32-V130 HydrophobicContact CE2-CG2 3.89Å; F32-V130 HydrophobicContact CZ-CG2 3.41Å; F32-V130 VanDerWaalsContact CZ-CG2 3.41Å; F32-V130 PolarHBondContact O-N 3.22Å; F33-V130 HydrophobicContact CD1-CB 3.96Å; F33-V130 HydrophobicContact CD1-CG1 4.29Å; F33-V130 HydrophobicContact CE1-CB 4.29Å; F33-V130 HydrophobicContact CE1-CG1 4.47Å; L34-V130 PolarHBondContact N-O 3.07Å; L72-V130 HydrophobicContact CB-CG2 4.31Å; L72-V130 HydrophobicContact CD2-CG1 4.12Å; L72-V130 HydrophobicContact CD2-CG2 4.04Å; L72-V130 HydrophobicContact CG-CG1 4.24Å; L72-V130 CarbonylContact O-C 3.56Å; L72-V130 WeakPolarHBondContact O-CA 3.48Å; I74-V130 HydrophobicContact CD1-CG1 3.67Å; I74-V130 HydrophobicContact CG1-CG1 3.86Å; F122-V130 HydrophobicContact CD1-CG2 3.53Å; F122-V130 HydrophobicContact CE1-CG2 3.84Å; F122-V130 HydrophobicContact CG-CG2 4.47Å; V130-I132 HydrophobicContact CG1-CG1 4.05Å
131	G	95.7	Very high	82.4	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	122.8	168	0	0	0	0	0	110.8	F36 L72 I74	F36-G131 VanDerWaalsContact CE1-CA 3.46Å; L72-G131 PolarHBondContact O-N 3.16Å; I74-G131 PolarHBondContact N-O 2.99Å
132	I	94.7	Very high	79.6	Confident	26 Å²	26	64.1 Å²	64.1	13%	0.133	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.6	179.6	-58.9	176.4	0	0	0	109.7	F33 L34 P35 F36 L76 F115 V130 P134	F33-I132 HydrophobicContact CB-CD1 4.03Å; F33-I132 HydrophobicContact CD1-CD1 3.39Å; F33-I132 HydrophobicContact CD1-CG1 4.2Å; F33-I132 HydrophobicContact CE1-CD1 4.05Å; F33-I132 HydrophobicContact CG-CD1 3.95Å; L34-I132 PolarHBondContact O-N 2.99Å; P35-I132 WeakPolarHBondContact CA-O 3.06Å; F36-I132 PolarHBondContact N-O 3.19Å; F36-I132 VanDerWaalsContact N-O 3.14Å; L76-I132 HydrophobicContact CD1-CG2 4.06Å; F115-I132 HydrophobicContact CE2-CD1 4.21Å; F115-I132 HydrophobicContact CZ-CD1 3.77Å; V130-I132 HydrophobicContact CG1-CG1 4.05Å; I132-P134 WeakPolarHBondContact O-CD 3.37Å
133	L	92.3	Very high	76.8	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	104.8	166.9	174.6	56.5	0	0	0	109.6	F36 T38 I74 L76 T77 Y83	F36-L133 HydrophobicContact CE2-CB 3.98Å; T38-L133 HydrophobicContact CG2-CD1 4.35Å; T38-L133 HydrophobicContact CG2-CD2 4Å; T38-L133 VanDerWaalsContact N-CD1 3.29Å; T38-L133 WeakPolarHBondContact OG1-CD1 3.15Å; I74-L133 PolarHBondContact O-N 3.23Å; L76-L133 VanDerWaalsContact CB-O 3.23Å; L76-L133 WeakPolarHBondContact CB-O 3.34Å; L76-L133 PolarHBondContact N-O 3.38Å; T77-L133 HydrophobicContact CG2-CD1 4.42Å; T77-L133 HydrophobicContact CG2-CD2 3.76Å; T77-L133 HydrophobicContact CG2-CG 3.79Å; Y83-L133 HydrophobicContact CE1-CD2 3.93Å; Y83-L133 WeakPolarHBondContact OH-CD2 3.48Å
134	P	84.2	Confident	74.1	Confident	40 Å²	40	80.2 Å²	80.2	26%	0.26	39%	0.394	S	S	.	.			trans	-66.4	156	-180	27	-35.2	0	0	0	112.6	F36 I132 F136	F36-P134 WeakPolarHBondContact O-CD 3.39Å; I132-P134 WeakPolarHBondContact O-CD 3.37Å; P134-F136 PolarHBondContact O-N 2.96Å
135	P	77.4	Confident	71.2	Confident	26 Å²	26	86.1 Å²	86.1	17%	0.169	42%	0.422	C	S	.	.	S	Bend	trans	-67.7	-23.7	175.6	28.1	-32.7	0	0	0	112.2	L76 C100 L137	L76-P135 HydrophobicContact CB-CG 4.47Å; L76-P135 WeakPolarHBondContact O-CB 3.34Å; C100-P135 HydrophobicContact CB-CB 4.1Å; C100-P135 HydrophobicContact CB-CG 4.21Å; P135-L137 PolarHBondContact O-N 3.27Å; P135-L137 VanDerWaalsContact O-N 3.12Å
136	F	70.2	Confident	70	Confident	109 Å²	109	84.4 Å²	84.4	48%	0.478	42%	0.42	S	S	.	.			trans	-76.7	101.5	-176.1	-63.6	-77.5	0	0	0	111.1	P134 F138	P134-F136 PolarHBondContact O-N 2.96Å; F136-F138 PolarHBondContact O-N 2.96Å; F136-F138 VanDerWaalsContact O-N 3.15Å
137	L	56	Low	68.6	Low	48 Å²	48	87.2 Å²	87.2	25%	0.251	43%	0.431	S	S	.	.	S	Bend	trans	-64.7	-9.4	167	-63.3	172.4	0	0	0	112.8	P16 T38 F82 P135	P16-L137 HydrophobicContact CB-CB 3.82Å; P16-L137 HydrophobicContact CB-CD1 3.95Å; P16-L137 HydrophobicContact CB-CD2 3.63Å; P16-L137 HydrophobicContact CB-CG 3.96Å; P16-L137 HydrophobicContact CG-CD2 3.67Å; P16-L137 HydrophobicContact CG-CG 4.5Å; T38-L137 VanDerWaalsContact OG1-CD2 3.27Å; T38-L137 WeakPolarHBondContact OG1-CD2 3.48Å; F82-L137 HydrophobicContact CE2-CD1 4.36Å; F82-L137 HydrophobicContact CE2-CD2 3.9Å; F82-L137 HydrophobicContact CZ-CD1 4.06Å; F82-L137 HydrophobicContact CZ-CD2 4.06Å; P135-L137 PolarHBondContact O-N 3.27Å; P135-L137 VanDerWaalsContact O-N 3.12Å
138	F	54.8	Low	67.2	Low	100 Å²	100	83.1 Å²	83.1	44%	0.439	41%	0.407	S	S	.	.			trans	-100.8	65.1	-177.8	-61.3	-65.1	0	0	0	112.3	R17 R18 F136 Q140	R17-F138 HydrophobicContact CB-CE1 3.88Å; R17-F138 HydrophobicContact CB-CZ 4.48Å; R18-F138 HydrophobicContact CB-CD1 4.26Å; R18-F138 HydrophobicContact CG-CD1 4.32Å; F136-F138 PolarHBondContact O-N 2.96Å; F136-F138 VanDerWaalsContact O-N 3.15Å; F138-Q140 PolarHBondContact O-N 3.19Å; F138-Q140 VanDerWaalsContact O-N 3.09Å
139	C	48.1	Very low	65.6	Low	69 Å²	69	83.4 Å²	83.4	47%	0.466	41%	0.411	S	S	.	.			trans	-85.8	66.7	169.9	-163.6	0	0	0	0	111.1	C22	C22-C139 HydrophobicContact CB-CB 4.18Å; C22-C139 VanDerWaalsContact SG-C 3.51Å; C22-C139 PolarHBondContact SG-O 2.94Å
140	Q	46.6	Very low	63.7	Low	80 Å²	80	88.6 Å²	88.6	37%	0.374	44%	0.436	S	S	.	.			trans	-131.3	96.5	153.2	-87.9	-166.7	-11.7	0	0	107.2	R18 F138 P142	R18-Q140 PolarHBondContact NH2-O 3.41Å; F138-Q140 PolarHBondContact O-N 3.19Å; F138-Q140 VanDerWaalsContact O-N 3.09Å; Q140-P142 WeakPolarHBondContact O-CD 3.32Å
141	I	45.9	Very low	61.5	Low	154 Å²	154	94.5 Å²	94.5	79%	0.79	47%	0.465	S	S	*	.			trans	-56.9	115.5	147.8	-55.8	175.1	0	0	0	104	K143	I141-K143 PolarHBondContact O-N 2.91Å
142	P	39.7	Very low	59	Low	97 Å²	97	101.2 Å²	101.2	63%	0.63	50%	0.499	S	S	*	.			trans	-54.1	130	177.1	20.9	-29.7	0	0	0	107.7	Q140 K144	Q140-P142 WeakPolarHBondContact O-CD 3.32Å; P142-K144 PolarHBondContact O-N 3.21Å
143	K	38.7	Very low	56.3	Low	200 Å²	200	107 Å²	107	87%	0.87	53%	0.527	S	S	*	.			trans	-55	115	167.1	-70	-166.8	178.4	-174.4	0	105.4	I141 Q145	I141-K143 PolarHBondContact O-N 2.91Å; K143-Q145 PolarHBondContact O-N 3.17Å; K143-Q145 VanDerWaalsContact O-N 3.17Å
144	K	39.7	Very low	53.3	Low	205 Å²	205	115.9 Å²	115.9	89%	0.891	57%	0.571	S	S	*	*			trans	-57.1	122.5	161.3	-79.8	-173.7	174.9	-175.2	0	105.2	P142	P142-K144 PolarHBondContact O-N 3.21Å
145	Q	38.1	Very low	50.5	Low	263 Å²	263	122.8 Å²	122.8	100%	1.229	60%	0.599	S	S	*	*			trans	-64	0	164.7	-66.1	-143.4	8.4	0	0	109.2	K143	K143-Q145 PolarHBondContact O-N 3.17Å; K143-Q145 VanDerWaalsContact O-N 3.17Å

Retrieved 145 of 145 residues in 27.5 ms (Link to these results)

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