A0A075B614_MOUSE Loading...

T cell receptor alpha variable 3D-3

AlphaFold DB , UniProt , Accession A0A075B614, Species MOUSE (Mus musculus, Mouse), Gene Trav3n-3, Length 92 aa.

						>A0A075B614_MOUSE|A0A075B614|Trav3n-3
GEQVEQRPPHLSVREGDSAVIICTYTDPNSYYFFWYKQEPGAGLQLLMKVFSSTEINEGQGFTVLLNKKDKQLSLNLTAAHPGDSAVYFCAV
					

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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	G	54.8	Low	88.3	Confident	127 Å²	127	103.8 Å²	103.8	100%	1.309	58%	0.575	S	S	*	*				0	147.2	0	0	0	0	0	0	107.6	Q3	G1-Q3 PolarHBondContact O-N 3.42Å
2	E	64.4	Low	89	Confident	126 Å²	126	106.1 Å²	106.1	59%	0.589	60%	0.604	S	S	*	*			trans	-63.2	132.2	172.2	-70.6	156.2	173.8	0	0	108.8	D27	E2-D27 HydrophobicContact CG-CB 3.99Å
3	Q	86.6	Confident	89.5	Confident	133 Å²	133	102 Å²	102	62%	0.621	58%	0.582	S	S	*	*			trans	-107.6	127.6	-178.7	-172.5	174.2	-10.1	0	0	108.6	G1 T26	G1-Q3 PolarHBondContact O-N 3.42Å; Q3-T26 HydrophobicContact CB-CG2 4.17Å; Q3-T26 PolarHBondContact N-OG1 2.83Å; Q3-T26 PolarHBondContact O-N 2.97Å; Q3-T26 PolarHBondContact O-OG1 2.8Å
4	V	94	Very high	90.1	Very high	56 Å²	56	108.9 Å²	108.9	34%	0.339	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.2	146.9	167.9	-65.4	0	0	0	0	109.8	T24 V92	V4-T24 CarbonylContact C-O 3.54Å; V4-T24 VanDerWaalsContact CA-O 3.24Å; V4-T24 WeakPolarHBondContact CA-O 3.44Å; V4-V92 HydrophobicContact CG1-CB 4.13Å; V4-V92 HydrophobicContact CG1-CG2 3.79Å
5	E	96.4	Very high	90.5	Very high	85 Å²	85	111 Å²	111	40%	0.397	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.5	126	171.4	-179.7	-176	-179.9	0	0	109.3	R7 C23 T24	E5-R7 IonicContact OE1-CZ 2.66Å; E5-R7 IonicContact OE1-NE 3.84Å; E5-R7 PolarHBondContact OE1-NE 3.35Å; E5-R7 IonicContact OE1-NH2 2.75Å; E5-R7 PolarHBondContact OE1-NH2 3.18Å; E5-R7 IonicContact OE2-NH2 2.78Å; E5-R7 PolarHBondContact OE2-NH2 3.36Å; E5-C23 WeakPolarHBondContact O-CA 3.42Å; E5-T24 PolarHBondContact N-O 3.49Å; E5-T24 PolarHBondContact O-N 3.39Å; E5-T24 PolarHBondContact O-OG1 2.84Å; E5-T24 VanDerWaalsContact O-OG1 3.12Å
6	Q	97.3	Very high	90.9	Very high	53 Å²	53	106.9 Å²	106.9	25%	0.248	59%	0.59	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.6	135.1	-179.4	-74.2	180	-123.6	0	0	111.7	I22 C23 W35 Y88 C90	Q6-I22 CarbonylContact C-O 3.52Å; Q6-I22 VanDerWaalsContact CA-O 3.29Å; Q6-I22 WeakPolarHBondContact CA-O 3.49Å; Q6-C23 HydrophobicContact CG-CB 4.19Å; Q6-W35 HydrophobicContact CG-CH2 4.49Å; Q6-Y88 PolarHBondContact NE2-O 3.48Å; Q6-C90 HydrophobicContact CG-CB 4.05Å
7	R	97.2	Very high	91.3	Very high	149 Å²	149	105.6 Å²	105.6	56%	0.562	58%	0.582	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-137.9	144.6	178.1	-63.9	-174.5	-177.5	175.5	5.4	112.7	E5 I22	E5-R7 IonicContact OE1-CZ 2.66Å; E5-R7 IonicContact OE1-NE 3.84Å; E5-R7 PolarHBondContact OE1-NE 3.35Å; E5-R7 IonicContact OE1-NH2 2.75Å; E5-R7 PolarHBondContact OE1-NH2 3.18Å; E5-R7 IonicContact OE2-NH2 2.78Å; E5-R7 PolarHBondContact OE2-NH2 3.36Å; R7-I22 PolarHBondContact N-O 2.66Å; R7-I22 PolarHBondContact O-N 2.78Å
8	P	96.6	Very high	91.6	Very high	56 Å²	56	104.6 Å²	104.6	36%	0.364	58%	0.584	S	S	.	*	S	Bend	cis	-73.3	160.8	-12.9	32.2	-32.4	0	0	0	110.9	H10 L11	P8-H10 PolarHBondContact O-N 2.78Å; P8-L11 HydrophobicContact CG-CD1 4.24Å; P8-L11 HydrophobicContact CG-CD2 3.2Å; P8-L11 HydrophobicContact CG-CG 3.57Å
9	P	93.8	Very high	91.8	Very high	105 Å²	105	99.9 Å²	99.9	68%	0.682	56%	0.56	S	S	*	*	S	Bend	trans	-68.5	-25.2	-178	27.6	-35.6	0	0	0	113.1
10	H	95.1	Very high	92.1	Very high	168 Å²	168	98.2 Å²	98.2	78%	0.778	55%	0.552	S	S	*	*			trans	-139.5	142.4	176.6	-59	-69.1	0	0	0	109.4	P8	P8-H10 PolarHBondContact O-N 2.78Å
11	L	95.3	Very high	92.4	Very high	84 Å²	84	94.6 Å²	94.6	44%	0.44	53%	0.531	S	S	.	.			trans	-129.6	134.5	175.4	-75.4	171.1	0	0	0	109	P8 V13 A19 I21	P8-L11 HydrophobicContact CG-CD1 4.24Å; P8-L11 HydrophobicContact CG-CD2 3.2Å; P8-L11 HydrophobicContact CG-CG 3.57Å; L11-V13 HydrophobicContact CB-CG2 4.07Å; L11-A19 HydrophobicContact CD1-CB 4.49Å; L11-I21 HydrophobicContact CD1-CD1 4.43Å; L11-I21 HydrophobicContact CD1-CG1 3.73Å
12	S	96.3	Very high	94.5	Very high	131 Å²	131	91.5 Å²	91.5	92%	0.916	48%	0.484	S	S	*	.			trans	-119.6	116.5	164.6	-174.6	0	0	0	0	106.7
13	V	96.3	Very high	96	Very high	53 Å²	53	85.5 Å²	85.5	32%	0.321	46%	0.456	S	S	.	.			trans	-126.5	138.3	-169.9	-173.1	0	0	0	0	107	L11 D17 A19 A80	L11-V13 HydrophobicContact CB-CG2 4.07Å; V13-D17 HydrophobicContact CG1-CB 3.84Å; V13-A19 HydrophobicContact CG1-CB 4.18Å; V13-A19 HydrophobicContact CG2-CB 3.73Å; V13-A80 HydrophobicContact CB-CB 4.47Å; V13-A80 HydrophobicContact CG1-CB 3.9Å
14	R	97.3	Very high	96.5	Very high	199 Å²	199	81.3 Å²	81.3	75%	0.751	44%	0.439	S	S	*	.			trans	-77.9	149.8	175.7	-61.6	177	171.4	176.9	-2.1	109.4	G16 D17	R14-G16 PolarHBondContact O-N 2.95Å; R14-D17 WeakPolarHBondContact CB-OD2 3.45Å; R14-D17 WeakPolarHBondContact O-CB 3.41Å; R14-D17 PolarHBondContact O-N 3.05Å
15	E	96.9	Very high	96.6	Very high	140 Å²	140	79.2 Å²	79.2	65%	0.654	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	135.2	173	-174.4	174.1	-168.5	0	0	110.4	D17 A80	E15-D17 VanDerWaalsContact C-N 3.27Å; E15-D17 PolarHBondContact O-N 3.31Å; E15-A80 CarbonylContact C-O 3.52Å; E15-A80 WeakPolarHBondContact CA-O 3.46Å; E15-A80 WeakPolarHBondContact CG-O 3.4Å
16	G	96.5	Very high	96.4	Very high	46 Å²	46	78.6 Å²	78.6	47%	0.474	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	-16.7	-175.5	0	0	0	0	0	115.4	R14 A80	R14-G16 PolarHBondContact O-N 2.95Å; G16-A80 PolarHBondContact N-O 2.92Å
17	D	97.3	Very high	96	Very high	84 Å²	84	77.6 Å²	77.6	45%	0.449	42%	0.424	S	S	.	.			trans	-78.5	158.7	176.1	-72.7	-12.2	0	0	0	111.3	V13 R14 E15 A80	V13-D17 HydrophobicContact CG1-CB 3.84Å; R14-D17 WeakPolarHBondContact CB-OD2 3.45Å; R14-D17 WeakPolarHBondContact O-CB 3.41Å; R14-D17 PolarHBondContact O-N 3.05Å; E15-D17 VanDerWaalsContact C-N 3.27Å; E15-D17 PolarHBondContact O-N 3.31Å; D17-A80 WeakPolarHBondContact O-CB 3.41Å; D17-A80 PolarHBondContact O-N 2.75Å
18	S	96.1	Very high	95.4	Very high	88 Å²	88	73.9 Å²	73.9	62%	0.615	42%	0.419	S	S	*	.			trans	-87.3	154.5	174.6	61.6	0	0	0	0	112.1	L77 T78	S18-L77 CarbonylContact C-O 3.56Å; S18-L77 WeakPolarHBondContact CA-O 3.29Å; S18-L77 VanDerWaalsContact CB-O 3.32Å; S18-L77 WeakPolarHBondContact CB-O 3.39Å; S18-T78 WeakPolarHBondContact CB-O 3.45Å
19	A	96.6	Very high	95.1	Very high	16 Å²	16	76.8 Å²	76.8	13%	0.132	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	150.7	177.1	0	0	0	0	0	111.2	L11 V13 N76 L77	L11-A19 HydrophobicContact CD1-CB 4.49Å; V13-A19 HydrophobicContact CG1-CB 4.18Å; V13-A19 HydrophobicContact CG2-CB 3.73Å; A19-N76 WeakPolarHBondContact O-CA 3.34Å; A19-L77 HydrophobicContact CB-CB 4.37Å; A19-L77 PolarHBondContact N-O 3.09Å; A19-L77 PolarHBondContact O-N 3.32Å
20	V	97.9	Very high	94.9	Very high	65 Å²	65	72 Å²	72	39%	0.394	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	131	176.6	174.1	0	0	0	0	109.6	I22 L75 N76	V20-I22 HydrophobicContact CG1-CG1 3.88Å; V20-L75 WeakPolarHBondContact CA-O 3.41Å; V20-N76 WeakPolarHBondContact CG1-OD1 3.48Å; V20-N76 HydrophobicContact CG2-CB 4.27Å; V20-N76 WeakPolarHBondContact CG2-OD1 3.33Å
21	I	98.1	Very high	94.9	Very high	22 Å²	22	72.1 Å²	72.1	11%	0.113	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.7	169.1	-47.7	178.7	0	0	0	107.7	L11 W35 S74 L75 Y88	L11-I21 HydrophobicContact CD1-CD1 4.43Å; L11-I21 HydrophobicContact CD1-CG1 3.73Å; I21-W35 HydrophobicContact CB-CH2 3.95Å; I21-W35 HydrophobicContact CB-CZ3 4.48Å; I21-W35 HydrophobicContact CG2-CH2 3.59Å; I21-W35 HydrophobicContact CG2-CZ3 4.12Å; I21-S74 CarbonylContact O-C 3.58Å; I21-S74 WeakPolarHBondContact O-CA 3.42Å; I21-L75 HydrophobicContact CB-CB 4.47Å; I21-L75 HydrophobicContact CD1-CD2 4.49Å; I21-L75 PolarHBondContact N-O 3.36Å; I21-L75 PolarHBondContact O-N 2.91Å; I21-Y88 HydrophobicContact CD1-CD2 3.87Å; I21-Y88 HydrophobicContact CD1-CG 3.84Å
22	I	98.2	Very high	94.8	Very high	63 Å²	63	73 Å²	73	32%	0.323	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.9	-179.8	-54.5	175.7	0	0	0	108.2	Q6 R7 V20 T24 Q72	Q6-I22 CarbonylContact C-O 3.52Å; Q6-I22 VanDerWaalsContact CA-O 3.29Å; Q6-I22 WeakPolarHBondContact CA-O 3.49Å; R7-I22 PolarHBondContact N-O 2.66Å; R7-I22 PolarHBondContact O-N 2.78Å; V20-I22 HydrophobicContact CG1-CG1 3.88Å; I22-T24 HydrophobicContact CG2-CG2 4.41Å; I22-Q72 HydrophobicContact CG2-CG 4.15Å
23	C	97.5	Very high	94.8	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.2	167.5	177	0	0	0	0	109.5	E5 Q6 W35 Q72 L73 C90	E5-C23 WeakPolarHBondContact O-CA 3.42Å; Q6-C23 HydrophobicContact CG-CB 4.19Å; C23-W35 HydrophobicContact CB-CH2 4.06Å; C23-W35 HydrophobicContact CB-CZ2 3.78Å; C23-Q72 CarbonylContact O-C 3.55Å; C23-Q72 VanDerWaalsContact O-CA 3.29Å; C23-Q72 WeakPolarHBondContact O-CA 3.41Å; C23-L73 HydrophobicContact CB-CB 4.27Å; C23-L73 WeakPolarHBondContact CB-O 3.31Å; C23-L73 PolarHBondContact N-O 2.75Å; C23-L73 PolarHBondContact O-N 3.06Å; C23-C90 HydrophobicContact CB-CB 3.38Å; C23-C90 WeakPolarHBondContact CB-SG 3.4Å; C23-C90 WeakPolarHBondContact SG-CB 3.47Å; C23-C90 CovalentContact SG-SG 2.03Å; C23-C90 PolarHBondContact SG-SG 2.86Å
24	T	97.1	Very high	94.8	Very high	45 Å²	45	66.4 Å²	66.4	28%	0.276	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	141.2	170.8	51.6	0	0	0	0	109.5	V4 E5 I22 K71 Q72	V4-T24 CarbonylContact C-O 3.54Å; V4-T24 VanDerWaalsContact CA-O 3.24Å; V4-T24 WeakPolarHBondContact CA-O 3.44Å; E5-T24 PolarHBondContact N-O 3.49Å; E5-T24 PolarHBondContact O-N 3.39Å; E5-T24 PolarHBondContact O-OG1 2.84Å; E5-T24 VanDerWaalsContact O-OG1 3.12Å; I22-T24 HydrophobicContact CG2-CG2 4.41Å; T24-K71 VanDerWaalsContact CA-O 3.31Å; T24-K71 WeakPolarHBondContact CA-O 3.19Å; T24-Q72 HydrophobicContact CG2-CG 3.74Å
25	Y	94.7	Very high	94.8	Very high	11 Å²	11	57 Å²	57	4%	0.043	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	159.1	-177.3	61.9	-91.3	0	0	0	111.9	D27 F33 L66 K68 K71 V92	Y25-D27 WeakPolarHBondContact CD2-O 3.35Å; Y25-D27 WeakPolarHBondContact CE2-O 3.38Å; Y25-F33 HydrophobicContact CD1-CE1 4.13Å; Y25-F33 HydrophobicContact CD2-CE1 4.34Å; Y25-F33 HydrophobicContact CE1-CD1 4.2Å; Y25-F33 AromaticContact CE1-CE1 3.57Å; Y25-F33 HydrophobicContact CE1-CE1 3.57Å; Y25-F33 HydrophobicContact CE1-CZ 4.47Å; Y25-F33 AromaticContact CE2-CE1 3.82Å; Y25-F33 HydrophobicContact CE2-CE1 3.82Å; Y25-F33 HydrophobicContact CE2-CZ 4.27Å; Y25-F33 HydrophobicContact CG-CE1 4.49Å; Y25-F33 AromaticContact CZ-CE1 3.4Å; Y25-F33 AromaticContact CZ-CZ 3.93Å; Y25-L66 HydrophobicContact CE1-CD1 4.17Å; Y25-K68 WeakPolarHBondContact OH-CA 3.32Å; Y25-K71 VanDerWaalsContact CD1-C 3.48Å; Y25-K71 HydrophobicContact CD1-CB 4.31Å; Y25-K71 WeakPolarHBondContact CD1-O 3.38Å; Y25-K71 HydrophobicContact CD2-CB 4.09Å; Y25-K71 HydrophobicContact CE1-CB 4.16Å; Y25-K71 WeakPolarHBondContact CE1-O 3.28Å; Y25-K71 HydrophobicContact CE2-CB 3.92Å; Y25-K71 HydrophobicContact CE2-CG 4.29Å; Y25-K71 HydrophobicContact CG-CB 4.28Å; Y25-K71 PolarHBondContact N-O 2.95Å; Y25-K71 WeakPolarHBondContact O-CB 3.19Å; Y25-K71 VanDerWaalsContact O-CD 3.27Å; Y25-K71 WeakPolarHBondContact O-CD 3.2Å; Y25-V92 HydrophobicContact CD1-CG1 4.11Å; Y25-V92 HydrophobicContact CD1-CG2 4.19Å; Y25-V92 HydrophobicContact CD2-CG1 3.71Å; Y25-V92 HydrophobicContact CE2-CG1 4.27Å; Y25-V92 HydrophobicContact CG-CB 4.31Å; Y25-V92 HydrophobicContact CG-CG1 3.63Å; Y25-V92 HydrophobicContact CG-CG2 4.16Å
26	T	93.3	Very high	94.8	Very high	72 Å²	72	53.2 Å²	53.2	44%	0.442	29%	0.289	S	S	.	.	S	Bend	trans	-97.7	-33.9	-177.3	55.4	0	0	0	0	114.1	Q3 P28 K71	Q3-T26 HydrophobicContact CB-CG2 4.17Å; Q3-T26 PolarHBondContact N-OG1 2.83Å; Q3-T26 PolarHBondContact O-N 2.97Å; Q3-T26 PolarHBondContact O-OG1 2.8Å; T26-P28 VanDerWaalsContact O-CD 3.27Å; T26-P28 WeakPolarHBondContact O-CD 3.48Å; T26-K71 PolarHBondContact O-NZ 3.41Å
27	D	89.3	Confident	94.8	Very high	33 Å²	33	52.1 Å²	52.1	18%	0.176	27%	0.271	C	S	.	.			trans	-77.6	114.1	-174	-178.6	23.7	0	0	0	112.4	E2 Y25 N29 S30	E2-D27 HydrophobicContact CG-CB 3.99Å; Y25-D27 WeakPolarHBondContact CD2-O 3.35Å; Y25-D27 WeakPolarHBondContact CE2-O 3.38Å; D27-N29 PolarHBondContact O-N 2.9Å; D27-N29 PolarHBondContact OD1-N 2.88Å; D27-S30 PolarHBondContact OD2-N 2.62Å; D27-S30 PolarHBondContact OD2-OG 2.8Å
28	P	83.4	Confident	94.9	Very high	71 Å²	71	51.4 Å²	51.4	46%	0.461	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-14.3	176.6	32.1	-37.2	0	0	0	114	T26	T26-P28 VanDerWaalsContact O-CD 3.27Å; T26-P28 WeakPolarHBondContact O-CD 3.48Å
29	N	89.5	Confident	94.9	Very high	116 Å²	116	50.7 Å²	50.7	62%	0.62	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-1	-172	-60.9	-49.3	0	0	0	114	D27 Y31	D27-N29 PolarHBondContact O-N 2.9Å; D27-N29 PolarHBondContact OD1-N 2.88Å; N29-Y31 VanDerWaalsContact O-CD2 3.24Å; N29-Y31 WeakPolarHBondContact O-CD2 3.24Å; N29-Y31 PolarHBondContact O-N 2.89Å
30	S	91.2	Very high	94.8	Very high	6 Å²	6	55.8 Å²	55.8	4%	0.042	28%	0.284	C	S	.	.			trans	-53.4	122.2	176.2	-66.9	0	0	0	0	111.8	D27 F33 S52 V92	D27-S30 PolarHBondContact OD2-N 2.62Å; D27-S30 PolarHBondContact OD2-OG 2.8Å; S30-F33 WeakPolarHBondContact O-CE2 3.31Å; S30-F33 WeakPolarHBondContact O-CZ 3.41Å; S30-S52 WeakPolarHBondContact O-CB 3.3Å; S30-V92 WeakPolarHBondContact CB-OXT 3.39Å; S30-V92 VanDerWaalsContact OG-CG1 3.24Å; S30-V92 WeakPolarHBondContact OG-CG1 3.16Å; S30-V92 PolarHBondContact OG-OXT 3.26Å
31	Y	93.6	Very high	94.6	Very high	169 Å²	169	57.3 Å²	57.3	66%	0.663	31%	0.313	S	S	*	.			trans	-88.2	-24.1	177.5	-77.7	-82.7	0	0	0	112.7	N29 S52	N29-Y31 VanDerWaalsContact O-CD2 3.24Å; N29-Y31 WeakPolarHBondContact O-CD2 3.24Å; N29-Y31 PolarHBondContact O-N 2.89Å; Y31-S52 PolarHBondContact O-N 2.83Å
32	Y	94	Very high	94.4	Very high	102 Å²	102	57.7 Å²	57.7	40%	0.4	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	141	-175.2	-61.3	-75.6	0	0	0	110.3	F34 F51	Y32-F34 HydrophobicContact CG-CZ 4.23Å; Y32-F51 HydrophobicContact CD1-CD1 4.09Å; Y32-F51 HydrophobicContact CD1-CE1 4.16Å; Y32-F51 AromaticContact CE1-CD1 3.63Å; Y32-F51 HydrophobicContact CE1-CD1 3.63Å; Y32-F51 AromaticContact CE1-CE1 3.34Å; Y32-F51 HydrophobicContact CE1-CE1 3.34Å; Y32-F51 HydrophobicContact CE1-CZ 4.02Å
33	F	96.3	Very high	94.3	Very high	1 Å²	1	57.2 Å²	57.2	0%	0.004	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	140.9	178.3	-58.5	-97	0	0	0	107.9	Y25 S30 K49 V50 L66 L73 V92	Y25-F33 HydrophobicContact CD1-CE1 4.13Å; Y25-F33 HydrophobicContact CD2-CE1 4.34Å; Y25-F33 HydrophobicContact CE1-CD1 4.2Å; Y25-F33 AromaticContact CE1-CE1 3.57Å; Y25-F33 HydrophobicContact CE1-CE1 3.57Å; Y25-F33 HydrophobicContact CE1-CZ 4.47Å; Y25-F33 AromaticContact CE2-CE1 3.82Å; Y25-F33 HydrophobicContact CE2-CE1 3.82Å; Y25-F33 HydrophobicContact CE2-CZ 4.27Å; Y25-F33 HydrophobicContact CG-CE1 4.49Å; Y25-F33 AromaticContact CZ-CE1 3.4Å; Y25-F33 AromaticContact CZ-CZ 3.93Å; S30-F33 WeakPolarHBondContact O-CE2 3.31Å; S30-F33 WeakPolarHBondContact O-CZ 3.41Å; F33-K49 CarbonylContact O-C 3.52Å; F33-K49 WeakPolarHBondContact O-CA 3.48Å; F33-V50 HydrophobicContact CB-CB 4.23Å; F33-V50 PolarHBondContact N-O 2.79Å; F33-V50 PolarHBondContact O-N 3.22Å; F33-L66 HydrophobicContact CD1-CD1 3.82Å; F33-L66 HydrophobicContact CD2-CD1 4.09Å; F33-L66 HydrophobicContact CD2-CD2 3.67Å; F33-L66 HydrophobicContact CE1-CD1 3.67Å; F33-L66 HydrophobicContact CE2-CD1 3.98Å; F33-L66 HydrophobicContact CE2-CD2 3.58Å; F33-L66 HydrophobicContact CE2-CG 4.46Å; F33-L66 HydrophobicContact CG-CD1 4.04Å; F33-L66 HydrophobicContact CG-CD2 4.36Å; F33-L66 HydrophobicContact CZ-CD1 3.77Å; F33-L66 HydrophobicContact CZ-CD2 4.16Å; F33-L73 HydrophobicContact CB-CD1 3.76Å; F33-L73 HydrophobicContact CB-CD2 3.81Å; F33-L73 HydrophobicContact CB-CG 4.39Å; F33-L73 HydrophobicContact CD1-CD1 4.37Å; F33-L73 HydrophobicContact CD1-CD2 4.47Å; F33-L73 HydrophobicContact CG-CD1 4.22Å; F33-V92 HydrophobicContact CD1-CB 4.19Å; F33-V92 HydrophobicContact CD1-CG1 3.43Å; F33-V92 VanDerWaalsContact CD1-CG1 3.43Å; F33-V92 HydrophobicContact CD1-CG2 3.98Å; F33-V92 HydrophobicContact CE1-CB 4.43Å; F33-V92 HydrophobicContact CE1-CG1 3.25Å; F33-V92 HydrophobicContact CZ-CG1 4.23Å
34	F	96.3	Very high	94.3	Very high	46 Å²	46	61.6 Å²	61.6	20%	0.202	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	141.3	-172.9	-54	-88.9	0	0	0	111	Y32 Y36 L46 M48 K49 C90 A91	Y32-F34 HydrophobicContact CG-CZ 4.23Å; F34-Y36 HydrophobicContact CB-CD2 4.09Å; F34-Y36 HydrophobicContact CB-CE2 3.51Å; F34-Y36 HydrophobicContact CG-CE2 4.2Å; F34-L46 HydrophobicContact CB-CD1 4.41Å; F34-L46 HydrophobicContact CD1-CD1 3.86Å; F34-M48 WeakPolarHBondContact CA-O 3.19Å; F34-K49 HydrophobicContact CD1-CB 4.01Å; F34-K49 HydrophobicContact CD1-CG 4Å; F34-K49 HydrophobicContact CE1-CB 4.05Å; F34-K49 HydrophobicContact CE1-CD 3.85Å; F34-K49 HydrophobicContact CE1-CG 3.6Å; F34-K49 HydrophobicContact CZ-CG 4.41Å; F34-C90 WeakPolarHBondContact O-CA 3.44Å; F34-A91 HydrophobicContact CB-CB 4.29Å; F34-A91 HydrophobicContact CD2-CB 4.47Å; F34-A91 PolarHBondContact N-O 2.94Å; F34-A91 PolarHBondContact O-N 2.97Å
35	W	97.8	Very high	94.2	Very high	1 Å²	1	63.9 Å²	63.9	0%	0.004	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.6	160.7	-82.6	101.9	0	0	0	109	Q6 I21 C23 L47 M48 V64 L73 L75 F89 C90	Q6-W35 HydrophobicContact CG-CH2 4.49Å; I21-W35 HydrophobicContact CB-CH2 3.95Å; I21-W35 HydrophobicContact CB-CZ3 4.48Å; I21-W35 HydrophobicContact CG2-CH2 3.59Å; I21-W35 HydrophobicContact CG2-CZ3 4.12Å; C23-W35 HydrophobicContact CB-CH2 4.06Å; C23-W35 HydrophobicContact CB-CZ2 3.78Å; W35-L47 HydrophobicContact CB-CB 4.36Å; W35-L47 HydrophobicContact CB-CD2 4.35Å; W35-L47 WeakPolarHBondContact O-CA 2.95Å; W35-L47 VanDerWaalsContact O-CB 3.3Å; W35-L47 WeakPolarHBondContact O-CB 2.93Å; W35-L47 PolarHBondContact O-N 3.36Å; W35-M48 PolarHBondContact N-O 3.38Å; W35-M48 PolarHBondContact O-N 3.48Å; W35-M48 VanDerWaalsContact O-N 3.08Å; W35-V64 VanDerWaalsContact CD1-CG2 3.47Å; W35-V64 HydrophobicContact CG-CG2 4.34Å; W35-L73 WeakPolarHBondContact CZ2-O 3.43Å; W35-L75 HydrophobicContact CB-CD1 4.44Å; W35-L75 HydrophobicContact CD2-CB 3.81Å; W35-L75 HydrophobicContact CD2-CD1 4.47Å; W35-L75 HydrophobicContact CD2-CD2 4.01Å; W35-L75 HydrophobicContact CD2-CG 4.33Å; W35-L75 HydrophobicContact CE3-CB 4.29Å; W35-L75 HydrophobicContact CE3-CD2 3.93Å; W35-L75 HydrophobicContact CG-CB 4.25Å; W35-L75 HydrophobicContact CG-CD1 4.12Å; W35-L75 HydrophobicContact CG-CD2 4.35Å; W35-L75 HydrophobicContact CG-CG 4.49Å; W35-L75 HydrophobicContact CH2-CB 4.22Å; W35-L75 HydrophobicContact CZ2-CB 3.72Å; W35-L75 HydrophobicContact CZ3-CB 4.48Å; W35-L75 HydrophobicContact CZ3-CD2 4.4Å; W35-F89 CarbonylContact C-O 3.53Å; W35-F89 WeakPolarHBondContact CA-O 3.41Å; W35-C90 HydrophobicContact CD2-CB 4.45Å; W35-C90 HydrophobicContact CE3-CB 4.26Å; W35-C90 HydrophobicContact CH2-CB 3.89Å; W35-C90 HydrophobicContact CZ2-CB 4.09Å; W35-C90 HydrophobicContact CZ3-CB 3.98Å
36	Y	97.3	Very high	94.3	Very high	60 Å²	60	67.8 Å²	67.8	24%	0.235	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	146.9	174.1	-68.7	-92.5	0	0	0	110	F34 L44 Q45 L46 Y88 F89 A91	F34-Y36 HydrophobicContact CB-CD2 4.09Å; F34-Y36 HydrophobicContact CB-CE2 3.51Å; F34-Y36 HydrophobicContact CG-CE2 4.2Å; Y36-L44 HydrophobicContact CD1-CD2 3.46Å; Y36-L44 VanDerWaalsContact CD1-CD2 3.46Å; Y36-L44 HydrophobicContact CD1-CG 3.64Å; Y36-L44 HydrophobicContact CD2-CD2 4.2Å; Y36-L44 HydrophobicContact CE1-CD2 3.9Å; Y36-L44 HydrophobicContact CE1-CG 4.46Å; Y36-L44 HydrophobicContact CG-CD1 4.4Å; Y36-L44 HydrophobicContact CG-CD2 3.64Å; Y36-L44 HydrophobicContact CG-CG 3.85Å; Y36-Q45 CarbonylContact C-O 3.55Å; Y36-Q45 WeakPolarHBondContact CA-O 3.41Å; Y36-Q45 WeakPolarHBondContact CB-O 3.22Å; Y36-Q45 WeakPolarHBondContact CD1-O 3.43Å; Y36-L46 HydrophobicContact CD1-CB 4.3Å; Y36-L46 HydrophobicContact CD1-CD1 4.43Å; Y36-L46 HydrophobicContact CE1-CB 4.03Å; Y36-L46 HydrophobicContact CE1-CD1 4Å; Y36-Y88 CarbonylContact O-C 3.55Å; Y36-Y88 VanDerWaalsContact O-CA 3.31Å; Y36-Y88 WeakPolarHBondContact O-CA 3.34Å; Y36-F89 PolarHBondContact N-O 2.92Å; Y36-F89 PolarHBondContact O-N 2.83Å; Y36-A91 HydrophobicContact CE2-CB 4.18Å
37	K	96.5	Very high	94.4	Very high	24 Å²	24	64.9 Å²	64.9	10%	0.104	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	136.2	170.9	-174.5	-175	-178	-161	0	108.3	E39 Q45 L47 G83 A86 Y88	K37-E39 HydrophobicContact CD-CG 4.41Å; K37-E39 IonicContact NZ-OE1 3.11Å; K37-E39 PolarHBondContact NZ-OE1 2.87Å; K37-Q45 PolarHBondContact N-O 3.24Å; K37-Q45 PolarHBondContact O-N 2.85Å; K37-L47 HydrophobicContact CB-CB 4.44Å; K37-G83 PolarHBondContact NZ-O 3.05Å; K37-A86 HydrophobicContact CD-CB 4.16Å; K37-A86 VanDerWaalsContact CE-CB 3.44Å; K37-A86 HydrophobicContact CG-CB 3.6Å; K37-Y88 HydrophobicContact CB-CD1 4.31Å; K37-Y88 HydrophobicContact CB-CE1 4.12Å; K37-Y88 HydrophobicContact CD-CE1 4.18Å; K37-Y88 HydrophobicContact CG-CD1 4.36Å; K37-Y88 HydrophobicContact CG-CE1 3.84Å
38	Q	97.6	Very high	94.7	Very high	69 Å²	69	63.9 Å²	63.9	32%	0.322	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	108	172.1	-175.1	177.6	42.6	0	0	109.5	A42 L44 A86 V87 F89	Q38-A42 PolarHBondContact NE2-O 3.12Å; Q38-L44 HydrophobicContact CB-CD1 4.37Å; Q38-A86 WeakPolarHBondContact O-CB 3.48Å; Q38-V87 HydrophobicContact CB-CB 4.46Å; Q38-V87 PolarHBondContact N-O 3.05Å; Q38-V87 PolarHBondContact O-N 2.98Å; Q38-F89 HydrophobicContact CB-CD2 4.44Å; Q38-F89 HydrophobicContact CB-CE2 3.94Å
39	E	96.3	Very high	95.3	Very high	72 Å²	72	64.6 Å²	64.6	34%	0.336	35%	0.353	S	S	.	.			trans	-77.8	153.5	172.6	-65	174.9	158.2	0	0	110.5	K37 G41 A42 A86	K37-E39 HydrophobicContact CD-CG 4.41Å; K37-E39 IonicContact NZ-OE1 3.11Å; K37-E39 PolarHBondContact NZ-OE1 2.87Å; E39-G41 PolarHBondContact O-N 2.81Å; E39-A42 HydrophobicContact CB-CB 3.97Å; E39-A42 WeakPolarHBondContact O-CB 3.34Å; E39-A42 PolarHBondContact O-N 2.91Å; E39-A86 HydrophobicContact CG-CB 4.29Å
40	P	94.8	Very high	95.6	Very high	124 Å²	124	59.1 Å²	59.1	81%	0.805	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	123	177.3	-25.7	34.9	0	0	0	112.2	A42	P40-A42 PolarHBondContact O-N 2.83Å
41	G	94.5	Very high	95.8	Very high	96 Å²	96	63.5 Å²	63.5	99%	0.99	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	-1.7	-179	0	0	0	0	0	115.2	E39	E39-G41 PolarHBondContact O-N 2.81Å
42	A	94.5	Very high	95.9	Very high	31 Å²	31	56.9 Å²	56.9	26%	0.256	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-95.3	160.7	175.3	0	0	0	0	0	112.4	Q38 E39 P40	Q38-A42 PolarHBondContact NE2-O 3.12Å; E39-A42 HydrophobicContact CB-CB 3.97Å; E39-A42 WeakPolarHBondContact O-CB 3.34Å; E39-A42 PolarHBondContact O-N 2.91Å; P40-A42 PolarHBondContact O-N 2.83Å
43	G	95.2	Very high	96	Very high	52 Å²	52	57.1 Å²	57.1	54%	0.536	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-70.7	169.8	166.8	0	0	0	0	0	112.1	Q45	G43-Q45 PolarHBondContact O-N 2.9Å
44	L	96.6	Very high	95.9	Very high	92 Å²	92	59.2 Å²	59.2	48%	0.482	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-65.8	123	172.3	-161.4	82.6	0	0	0	109.6	Y36 Q38 F89	Y36-L44 HydrophobicContact CD1-CD2 3.46Å; Y36-L44 VanDerWaalsContact CD1-CD2 3.46Å; Y36-L44 HydrophobicContact CD1-CG 3.64Å; Y36-L44 HydrophobicContact CD2-CD2 4.2Å; Y36-L44 HydrophobicContact CE1-CD2 3.9Å; Y36-L44 HydrophobicContact CE1-CG 4.46Å; Y36-L44 HydrophobicContact CG-CD1 4.4Å; Y36-L44 HydrophobicContact CG-CD2 3.64Å; Y36-L44 HydrophobicContact CG-CG 3.85Å; Q38-L44 HydrophobicContact CB-CD1 4.37Å; L44-F89 HydrophobicContact CD1-CD2 3.49Å; L44-F89 VanDerWaalsContact CD1-CD2 3.49Å; L44-F89 HydrophobicContact CD1-CE2 3.93Å; L44-F89 HydrophobicContact CD1-CG 4.24Å
45	Q	96.5	Very high	95.9	Very high	94 Å²	94	64.1 Å²	64.1	44%	0.439	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	134.9	180	-63.7	177.7	-0.5	0	0	110.5	Y36 K37 G43 L47	Y36-Q45 CarbonylContact C-O 3.55Å; Y36-Q45 WeakPolarHBondContact CA-O 3.41Å; Y36-Q45 WeakPolarHBondContact CB-O 3.22Å; Y36-Q45 WeakPolarHBondContact CD1-O 3.43Å; K37-Q45 PolarHBondContact N-O 3.24Å; K37-Q45 PolarHBondContact O-N 2.85Å; G43-Q45 PolarHBondContact O-N 2.9Å; Q45-L47 PolarHBondContact O-N 2.87Å
46	L	96.3	Very high	95.9	Very high	93 Å²	93	69 Å²	69	49%	0.487	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	116.5	175.9	178	65.2	0	0	0	109.3	F34 Y36 M48	F34-L46 HydrophobicContact CB-CD1 4.41Å; F34-L46 HydrophobicContact CD1-CD1 3.86Å; Y36-L46 HydrophobicContact CD1-CB 4.3Å; Y36-L46 HydrophobicContact CD1-CD1 4.43Å; Y36-L46 HydrophobicContact CE1-CB 4.03Å; Y36-L46 HydrophobicContact CE1-CD1 4Å; L46-M48 WeakPolarHBondContact CD1-O 3.17Å
47	L	95.8	Very high	95.8	Very high	11 Å²	11	68.6 Å²	68.6	6%	0.058	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-53	175.2	-177.8	66.1	0	0	0	110.2	W35 K37 Q45 Q60 F62 L75 Y88	W35-L47 HydrophobicContact CB-CB 4.36Å; W35-L47 HydrophobicContact CB-CD2 4.35Å; W35-L47 WeakPolarHBondContact O-CA 2.95Å; W35-L47 VanDerWaalsContact O-CB 3.3Å; W35-L47 WeakPolarHBondContact O-CB 2.93Å; W35-L47 PolarHBondContact O-N 3.36Å; K37-L47 HydrophobicContact CB-CB 4.44Å; Q45-L47 PolarHBondContact O-N 2.87Å; L47-Q60 HydrophobicContact CD1-CB 4.47Å; L47-Q60 PolarHBondContact O-NE2 2.86Å; L47-F62 HydrophobicContact CD1-CD2 3.94Å; L47-F62 HydrophobicContact CD1-CE2 3.99Å; L47-F62 HydrophobicContact CD2-CD1 4.49Å; L47-F62 HydrophobicContact CD2-CD2 4.08Å; L47-F62 HydrophobicContact CD2-CE2 4.27Å; L47-F62 HydrophobicContact CD2-CG 4.22Å; L47-F62 HydrophobicContact CG-CD2 4.43Å; L47-L75 HydrophobicContact CD2-CD1 3.93Å; L47-L75 HydrophobicContact CD2-CD2 3.85Å; L47-Y88 HydrophobicContact CD2-CD1 4.11Å; L47-Y88 HydrophobicContact CD2-CE1 4.01Å
48	M	95.6	Very high	95.8	Very high	12 Å²	12	74 Å²	74	6%	0.059	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	148.4	179.8	-91.2	-166.1	-96.2	0	0	112.7	F34 W35 L46 N57 F62 V64 L75	F34-M48 WeakPolarHBondContact CA-O 3.19Å; W35-M48 PolarHBondContact N-O 3.38Å; W35-M48 PolarHBondContact O-N 3.48Å; W35-M48 VanDerWaalsContact O-N 3.08Å; L46-M48 WeakPolarHBondContact CD1-O 3.17Å; M48-N57 HydrophobicContact SD-CB 4.3Å; M48-F62 HydrophobicContact CE-CB 3.46Å; M48-F62 VanDerWaalsContact CE-CB 3.46Å; M48-V64 HydrophobicContact CB-CG2 4.33Å; M48-V64 HydrophobicContact CE-CB 4.3Å; M48-V64 HydrophobicContact CE-CG2 3.42Å; M48-V64 VanDerWaalsContact CE-CG2 3.42Å; M48-V64 HydrophobicContact SD-CB 4.17Å; M48-V64 HydrophobicContact SD-CG2 3.71Å; M48-L75 HydrophobicContact CE-CD1 4.04Å
49	K	95.6	Very high	95.4	Very high	85 Å²	85	72.1 Å²	72.1	37%	0.37	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.1	168.9	176.1	-178.8	-179	-179.9	0	108.6	F33 F34 N57	F33-K49 CarbonylContact O-C 3.52Å; F33-K49 WeakPolarHBondContact O-CA 3.48Å; F34-K49 HydrophobicContact CD1-CB 4.01Å; F34-K49 HydrophobicContact CD1-CG 4Å; F34-K49 HydrophobicContact CE1-CB 4.05Å; F34-K49 HydrophobicContact CE1-CD 3.85Å; F34-K49 HydrophobicContact CE1-CG 3.6Å; F34-K49 HydrophobicContact CZ-CG 4.41Å; K49-N57 PolarHBondContact O-ND2 3.39Å
50	V	96.2	Very high	95	Very high	1 Å²	1	75.5 Å²	75.5	1%	0.006	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.9	179.2	-174.1	0	0	0	0	109	F33 T54 N57 V64 L66	F33-V50 HydrophobicContact CB-CB 4.23Å; F33-V50 PolarHBondContact N-O 2.79Å; F33-V50 PolarHBondContact O-N 3.22Å; V50-T54 HydrophobicContact CG1-CG2 4.13Å; V50-T54 WeakPolarHBondContact CG1-O 3.44Å; V50-N57 HydrophobicContact CG2-CB 3.91Å; V50-V64 HydrophobicContact CG2-CB 4.09Å; V50-V64 HydrophobicContact CG2-CG1 3.64Å; V50-L66 HydrophobicContact CG1-CB 4.34Å; V50-L66 HydrophobicContact CG1-CD2 4.35Å
51	F	95.8	Very high	94.8	Very high	99 Å²	99	72 Å²	72	43%	0.434	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	149.3	173.6	-73.3	-95.8	0	0	0	109.7	Y32 S53 T54	Y32-F51 HydrophobicContact CD1-CD1 4.09Å; Y32-F51 HydrophobicContact CD1-CE1 4.16Å; Y32-F51 AromaticContact CE1-CD1 3.63Å; Y32-F51 HydrophobicContact CE1-CD1 3.63Å; Y32-F51 AromaticContact CE1-CE1 3.34Å; Y32-F51 HydrophobicContact CE1-CE1 3.34Å; Y32-F51 HydrophobicContact CE1-CZ 4.02Å; F51-S53 PolarHBondContact O-N 2.03Å; F51-T54 WeakPolarHBondContact O-CB 3.45Å; F51-T54 PolarHBondContact O-N 2.82Å
52	S	94.8	Very high	94.9	Very high	29 Å²	29	67.9 Å²	67.9	20%	0.203	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-12.7	179	69.4	0	0	0	0	115.3	S30 Y31 K68	S30-S52 WeakPolarHBondContact O-CB 3.3Å; Y31-S52 PolarHBondContact O-N 2.83Å; S52-K68 WeakPolarHBondContact O-CD 3.24Å
53	S	95.1	Very high	95	Very high	107 Å²	107	67.6 Å²	67.6	75%	0.748	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-2	173.2	57.9	0	0	0	0	113.9	F51	F51-S53 PolarHBondContact O-N 2.03Å
54	T	95.8	Very high	95.1	Very high	45 Å²	45	65.1 Å²	65.1	28%	0.276	35%	0.352	S	S	.	.			trans	-111	116.6	-175.3	-59	0	0	0	0	109.6	V50 F51 I56 N57	V50-T54 HydrophobicContact CG1-CG2 4.13Å; V50-T54 WeakPolarHBondContact CG1-O 3.44Å; F51-T54 WeakPolarHBondContact O-CB 3.45Å; F51-T54 PolarHBondContact O-N 2.82Å; T54-I56 WeakPolarHBondContact CG2-O 3.27Å; T54-N57 HydrophobicContact CG2-CB 4.29Å
55	E	95.4	Very high	95.2	Very high	150 Å²	150	63.6 Å²	63.6	70%	0.701	34%	0.344	S	S	*	.	S	Bend	trans	-83.4	-33.9	179	-64.5	-176.2	168.8	0	0	112.6	L65 L66	E55-L65 CarbonylContact O-C 3.57Å; E55-L65 WeakPolarHBondContact O-CA 3.35Å; E55-L66 PolarHBondContact O-N 2.86Å
56	I	97.2	Very high	95.2	Very high	102 Å²	102	59.7 Å²	59.7	52%	0.523	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.1	-177.9	-51.7	-175.4	0	0	0	108.7	T54 E58 T63 V64 L65	T54-I56 WeakPolarHBondContact CG2-O 3.27Å; I56-E58 HydrophobicContact CG2-CG 4.27Å; I56-T63 HydrophobicContact CG2-CG2 3.91Å; I56-V64 WeakPolarHBondContact CA-O 3.36Å; I56-L65 HydrophobicContact CB-CD2 4.21Å; I56-L65 HydrophobicContact CD1-CD2 4.1Å; I56-L65 HydrophobicContact CG1-CD2 3.68Å; I56-L65 HydrophobicContact CG2-CD2 3.94Å
57	N	95.9	Very high	95.2	Very high	52 Å²	52	58 Å²	58	28%	0.278	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	138.1	172.2	-165.4	9.8	0	0	0	109.9	M48 K49 V50 T54 T63 V64	M48-N57 HydrophobicContact SD-CB 4.3Å; K49-N57 PolarHBondContact O-ND2 3.39Å; V50-N57 HydrophobicContact CG2-CB 3.91Å; T54-N57 HydrophobicContact CG2-CB 4.29Å; N57-T63 CarbonylContact O-C 3.57Å; N57-T63 WeakPolarHBondContact O-CA 3.39Å; N57-V64 PolarHBondContact N-O 3.08Å; N57-V64 PolarHBondContact O-N 3.01Å
58	E	95.5	Very high	95.1	Very high	139 Å²	139	62.2 Å²	62.2	65%	0.65	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.8	-174.5	-60.8	-170.9	144.1	0	0	110.7	I56 F62 T63	I56-E58 HydrophobicContact CG2-CG 4.27Å; E58-F62 WeakPolarHBondContact CA-O 3.27Å; E58-T63 HydrophobicContact CG-CG2 3.95Å; E58-T63 PolarHBondContact OE1-OG1 3.38Å
59	G	91	Very high	95	Very high	28 Å²	28	70.5 Å²	70.5	29%	0.289	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	175.2	150.5	178	0	0	0	0	0	112.9	G61 F62	G59-G61 PolarHBondContact O-N 2.79Å; G59-G61 VanDerWaalsContact O-N 3.12Å; G59-F62 PolarHBondContact N-O 2.95Å; G59-F62 PolarHBondContact O-N 2.95Å
60	Q	87	Confident	94.9	Very high	144 Å²	144	70.8 Å²	70.8	67%	0.673	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	29.9	175.3	-55.6	-178.9	69.7	0	0	114.1	L47 F62	L47-Q60 HydrophobicContact CD1-CB 4.47Å; L47-Q60 PolarHBondContact O-NE2 2.86Å; Q60-F62 VanDerWaalsContact C-N 3.33Å; Q60-F62 HydrophobicContact CB-CD2 4.44Å; Q60-F62 WeakPolarHBondContact O-CD2 3.19Å; Q60-F62 WeakPolarHBondContact O-CE2 3.29Å
61	G	91	Very high	94.9	Very high	51 Å²	51	74.5 Å²	74.5	53%	0.526	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	3.4	-178	0	0	0	0	0	115	G59	G59-G61 PolarHBondContact O-N 2.79Å; G59-G61 VanDerWaalsContact O-N 3.12Å
62	F	95.7	Very high	94.9	Very high	9 Å²	9	72.8 Å²	72.8	4%	0.039	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	151	178.7	-60.4	-90.3	0	0	0	111.9	L47 M48 E58 G59 Q60 L75 N76 L77 Y88	L47-F62 HydrophobicContact CD1-CD2 3.94Å; L47-F62 HydrophobicContact CD1-CE2 3.99Å; L47-F62 HydrophobicContact CD2-CD1 4.49Å; L47-F62 HydrophobicContact CD2-CD2 4.08Å; L47-F62 HydrophobicContact CD2-CE2 4.27Å; L47-F62 HydrophobicContact CD2-CG 4.22Å; L47-F62 HydrophobicContact CG-CD2 4.43Å; M48-F62 HydrophobicContact CE-CB 3.46Å; M48-F62 VanDerWaalsContact CE-CB 3.46Å; E58-F62 WeakPolarHBondContact CA-O 3.27Å; G59-F62 PolarHBondContact N-O 2.95Å; G59-F62 PolarHBondContact O-N 2.95Å; Q60-F62 VanDerWaalsContact C-N 3.33Å; Q60-F62 HydrophobicContact CB-CD2 4.44Å; Q60-F62 WeakPolarHBondContact O-CD2 3.19Å; Q60-F62 WeakPolarHBondContact O-CE2 3.29Å; F62-L75 HydrophobicContact CB-CD1 3.76Å; F62-L75 HydrophobicContact CD1-CD1 3.89Å; F62-L75 HydrophobicContact CD1-CD2 4.11Å; F62-L75 HydrophobicContact CD1-CG 3.89Å; F62-L75 HydrophobicContact CE1-CD2 4.35Å; F62-L75 HydrophobicContact CG-CD1 4.04Å; F62-N76 CarbonylContact C-O 3.53Å; F62-N76 VanDerWaalsContact CA-O 3.29Å; F62-N76 WeakPolarHBondContact CA-O 3.47Å; F62-L77 HydrophobicContact CD1-CB 3.99Å; F62-L77 HydrophobicContact CD1-CD1 4.06Å; F62-L77 HydrophobicContact CE1-CB 3.92Å; F62-L77 HydrophobicContact CE1-CD1 3.76Å; F62-L77 HydrophobicContact CE1-CD2 4.16Å; F62-L77 HydrophobicContact CE1-CG 4.16Å; F62-L77 HydrophobicContact CZ-CD1 4.06Å; F62-Y88 AromaticContact CE1-CE1 4Å; F62-Y88 HydrophobicContact CE1-CE1 4Å; F62-Y88 AromaticContact CZ-CE1 3.9Å; F62-Y88 HydrophobicContact CZ-CE1 3.9Å; F62-Y88 WeakPolarHBondContact CZ-OH 3.37Å
63	T	97.6	Very high	95	Very high	24 Å²	24	71.4 Å²	71.4	15%	0.147	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.6	169.1	-58.6	0	0	0	0	108.6	I56 N57 E58 L65 N76	I56-T63 HydrophobicContact CG2-CG2 3.91Å; N57-T63 CarbonylContact O-C 3.57Å; N57-T63 WeakPolarHBondContact O-CA 3.39Å; E58-T63 HydrophobicContact CG-CG2 3.95Å; E58-T63 PolarHBondContact OE1-OG1 3.38Å; T63-L65 HydrophobicContact CG2-CD2 3.96Å; T63-L65 HydrophobicContact CG2-CG 4.4Å; T63-N76 PolarHBondContact N-O 2.69Å; T63-N76 WeakPolarHBondContact O-CB 3.15Å; T63-N76 PolarHBondContact O-N 3.3Å
64	V	97.5	Very high	95.2	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.1	171.6	174	0	0	0	0	110.1	W35 M48 V50 I56 N57 L73 S74 L75	W35-V64 VanDerWaalsContact CD1-CG2 3.47Å; W35-V64 HydrophobicContact CG-CG2 4.34Å; M48-V64 HydrophobicContact CB-CG2 4.33Å; M48-V64 HydrophobicContact CE-CB 4.3Å; M48-V64 HydrophobicContact CE-CG2 3.42Å; M48-V64 VanDerWaalsContact CE-CG2 3.42Å; M48-V64 HydrophobicContact SD-CB 4.17Å; M48-V64 HydrophobicContact SD-CG2 3.71Å; V50-V64 HydrophobicContact CG2-CB 4.09Å; V50-V64 HydrophobicContact CG2-CG1 3.64Å; I56-V64 WeakPolarHBondContact CA-O 3.36Å; N57-V64 PolarHBondContact N-O 3.08Å; N57-V64 PolarHBondContact O-N 3.01Å; V64-L73 HydrophobicContact CG1-CD1 3.44Å; V64-L73 VanDerWaalsContact CG1-CD1 3.44Å; V64-L73 HydrophobicContact CG1-CG 4.05Å; V64-S74 CarbonylContact C-O 3.57Å; V64-S74 WeakPolarHBondContact CA-O 3.21Å; V64-L75 HydrophobicContact CG2-CD1 3.51Å
65	L	97.8	Very high	95.3	Very high	61 Å²	61	65.1 Å²	65.1	32%	0.319	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.1	175.6	-57.6	178.5	0	0	0	109.8	E55 I56 T63 L73 S74 N76	E55-L65 CarbonylContact O-C 3.57Å; E55-L65 WeakPolarHBondContact O-CA 3.35Å; I56-L65 HydrophobicContact CB-CD2 4.21Å; I56-L65 HydrophobicContact CD1-CD2 4.1Å; I56-L65 HydrophobicContact CG1-CD2 3.68Å; I56-L65 HydrophobicContact CG2-CD2 3.94Å; T63-L65 HydrophobicContact CG2-CD2 3.96Å; T63-L65 HydrophobicContact CG2-CG 4.4Å; L65-L73 CarbonylContact O-C 3.54Å; L65-L73 WeakPolarHBondContact O-CA 3.29Å; L65-S74 PolarHBondContact N-O 3.34Å; L65-S74 PolarHBondContact O-N 2.86Å; L65-N76 VanDerWaalsContact CD1-ND2 3.28Å; L65-N76 WeakPolarHBondContact CD1-ND2 3.45Å
66	L	97.3	Very high	95.4	Very high	11 Å²	11	59.6 Å²	59.6	6%	0.058	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114.4	173.3	175.3	63.2	0	0	0	109.8	Y25 F33 V50 E55 K68 L73	Y25-L66 HydrophobicContact CE1-CD1 4.17Å; F33-L66 HydrophobicContact CD1-CD1 3.82Å; F33-L66 HydrophobicContact CD2-CD1 4.09Å; F33-L66 HydrophobicContact CD2-CD2 3.67Å; F33-L66 HydrophobicContact CE1-CD1 3.67Å; F33-L66 HydrophobicContact CE2-CD1 3.98Å; F33-L66 HydrophobicContact CE2-CD2 3.58Å; F33-L66 HydrophobicContact CE2-CG 4.46Å; F33-L66 HydrophobicContact CG-CD1 4.04Å; F33-L66 HydrophobicContact CG-CD2 4.36Å; F33-L66 HydrophobicContact CZ-CD1 3.77Å; F33-L66 HydrophobicContact CZ-CD2 4.16Å; V50-L66 HydrophobicContact CG1-CB 4.34Å; V50-L66 HydrophobicContact CG1-CD2 4.35Å; E55-L66 PolarHBondContact O-N 2.86Å; L66-K68 HydrophobicContact CD1-CG 4.21Å; L66-K68 HydrophobicContact CD2-CD 4.43Å; L66-K68 HydrophobicContact CD2-CG 4.11Å; L66-K68 HydrophobicContact CG-CG 4.01Å; L66-L73 HydrophobicContact CB-CD1 4.11Å; L66-L73 HydrophobicContact CD1-CD1 4.07Å
67	N	95.8	Very high	95.4	Very high	59 Å²	59	55.7 Å²	55.7	32%	0.316	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	100.1	170.4	-179.8	-17.4	0	0	0	109.3	K69 D70 K71 Q72	N67-K69 VanDerWaalsContact C-N 3.32Å; N67-K69 PolarHBondContact O-N 3.04Å; N67-K69 WeakPolarHBondContact OD1-CB 3.45Å; N67-K69 PolarHBondContact OD1-N 2.97Å; N67-D70 PolarHBondContact ND2-OD2 3.01Å; N67-D70 PolarHBondContact OD1-N 2.86Å; N67-K71 WeakPolarHBondContact O-CA 3.18Å; N67-K71 PolarHBondContact O-N 2.79Å; N67-Q72 HydrophobicContact CB-CB 4.38Å; N67-Q72 PolarHBondContact N-O 2.91Å; N67-Q72 PolarHBondContact O-N 2.84Å
68	K	93.1	Very high	95.2	Very high	98 Å²	98	58 Å²	58	43%	0.426	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-25.8	-179.8	-63.5	-172.6	69.6	178.3	0	113.7	Y25 S52 L66 K71	Y25-K68 WeakPolarHBondContact OH-CA 3.32Å; S52-K68 WeakPolarHBondContact O-CD 3.24Å; L66-K68 HydrophobicContact CD1-CG 4.21Å; L66-K68 HydrophobicContact CD2-CD 4.43Å; L66-K68 HydrophobicContact CD2-CG 4.11Å; L66-K68 HydrophobicContact CG-CG 4.01Å; K68-K71 PolarHBondContact O-N 3.43Å
69	K	93.1	Very high	95.1	Very high	187 Å²	187	53.1 Å²	53.1	81%	0.813	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-45.3	179.6	-176	-177.4	175.6	-174.1	0	110.5	N67 K71	N67-K69 VanDerWaalsContact C-N 3.32Å; N67-K69 PolarHBondContact O-N 3.04Å; N67-K69 WeakPolarHBondContact OD1-CB 3.45Å; N67-K69 PolarHBondContact OD1-N 2.97Å; K69-K71 VanDerWaalsContact C-N 3.33Å
70	D	94.7	Very high	95.4	Very high	91 Å²	91	52.2 Å²	52.2	49%	0.487	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	2.6	-179.9	-57.5	-33.3	0	0	0	112.5	N67 Q72	N67-D70 PolarHBondContact ND2-OD2 3.01Å; N67-D70 PolarHBondContact OD1-N 2.86Å; D70-Q72 VanDerWaalsContact C-N 3.32Å; D70-Q72 HydrophobicContact CB-CG 4.4Å; D70-Q72 PolarHBondContact O-N 2.78Å
71	K	95.4	Very high	95.7	Very high	79 Å²	79	50.7 Å²	50.7	34%	0.343	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	50.6	-176.7	-52.4	-177.4	-177.7	-174.2	0	112.5	T24 Y25 T26 N67 K68 K69	T24-K71 VanDerWaalsContact CA-O 3.31Å; T24-K71 WeakPolarHBondContact CA-O 3.19Å; Y25-K71 VanDerWaalsContact CD1-C 3.48Å; Y25-K71 HydrophobicContact CD1-CB 4.31Å; Y25-K71 WeakPolarHBondContact CD1-O 3.38Å; Y25-K71 HydrophobicContact CD2-CB 4.09Å; Y25-K71 HydrophobicContact CE1-CB 4.16Å; Y25-K71 WeakPolarHBondContact CE1-O 3.28Å; Y25-K71 HydrophobicContact CE2-CB 3.92Å; Y25-K71 HydrophobicContact CE2-CG 4.29Å; Y25-K71 HydrophobicContact CG-CB 4.28Å; Y25-K71 PolarHBondContact N-O 2.95Å; Y25-K71 WeakPolarHBondContact O-CB 3.19Å; Y25-K71 VanDerWaalsContact O-CD 3.27Å; Y25-K71 WeakPolarHBondContact O-CD 3.2Å; T26-K71 PolarHBondContact O-NZ 3.41Å; N67-K71 WeakPolarHBondContact O-CA 3.18Å; N67-K71 PolarHBondContact O-N 2.79Å; K68-K71 PolarHBondContact O-N 3.43Å; K69-K71 VanDerWaalsContact C-N 3.33Å
72	Q	96.6	Very high	95.8	Very high	63 Å²	63	52.8 Å²	52.8	29%	0.294	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	138.6	-177.4	-77.7	175.8	5.3	0	0	111.6	I22 C23 T24 N67 D70	I22-Q72 HydrophobicContact CG2-CG 4.15Å; C23-Q72 CarbonylContact O-C 3.55Å; C23-Q72 VanDerWaalsContact O-CA 3.29Å; C23-Q72 WeakPolarHBondContact O-CA 3.41Å; T24-Q72 HydrophobicContact CG2-CG 3.74Å; N67-Q72 HydrophobicContact CB-CB 4.38Å; N67-Q72 PolarHBondContact N-O 2.91Å; N67-Q72 PolarHBondContact O-N 2.84Å; D70-Q72 VanDerWaalsContact C-N 3.32Å; D70-Q72 HydrophobicContact CB-CG 4.4Å; D70-Q72 PolarHBondContact O-N 2.78Å
73	L	97.1	Very high	95.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	104.3	169.1	-177.2	78	0	0	0	107.1	C23 F33 W35 V64 L65 L66	C23-L73 HydrophobicContact CB-CB 4.27Å; C23-L73 WeakPolarHBondContact CB-O 3.31Å; C23-L73 PolarHBondContact N-O 2.75Å; C23-L73 PolarHBondContact O-N 3.06Å; F33-L73 HydrophobicContact CB-CD1 3.76Å; F33-L73 HydrophobicContact CB-CD2 3.81Å; F33-L73 HydrophobicContact CB-CG 4.39Å; F33-L73 HydrophobicContact CD1-CD1 4.37Å; F33-L73 HydrophobicContact CD1-CD2 4.47Å; F33-L73 HydrophobicContact CG-CD1 4.22Å; W35-L73 WeakPolarHBondContact CZ2-O 3.43Å; V64-L73 HydrophobicContact CG1-CD1 3.44Å; V64-L73 VanDerWaalsContact CG1-CD1 3.44Å; V64-L73 HydrophobicContact CG1-CG 4.05Å; L65-L73 CarbonylContact O-C 3.54Å; L65-L73 WeakPolarHBondContact O-CA 3.29Å; L66-L73 HydrophobicContact CB-CD1 4.11Å; L66-L73 HydrophobicContact CD1-CD1 4.07Å
74	S	97.9	Very high	95.6	Very high	16 Å²	16	55 Å²	55	11%	0.112	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.7	-177.8	-58.7	0	0	0	0	110.7	I21 V64 L65	I21-S74 CarbonylContact O-C 3.58Å; I21-S74 WeakPolarHBondContact O-CA 3.42Å; V64-S74 CarbonylContact C-O 3.57Å; V64-S74 WeakPolarHBondContact CA-O 3.21Å; L65-S74 PolarHBondContact N-O 3.34Å; L65-S74 PolarHBondContact O-N 2.86Å
75	L	98.2	Very high	95.5	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.016	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	114.7	169.7	-176.9	70.8	0	0	0	108.7	V20 I21 W35 L47 M48 F62 V64 Y88	V20-L75 WeakPolarHBondContact CA-O 3.41Å; I21-L75 HydrophobicContact CB-CB 4.47Å; I21-L75 HydrophobicContact CD1-CD2 4.49Å; I21-L75 PolarHBondContact N-O 3.36Å; I21-L75 PolarHBondContact O-N 2.91Å; W35-L75 HydrophobicContact CB-CD1 4.44Å; W35-L75 HydrophobicContact CD2-CB 3.81Å; W35-L75 HydrophobicContact CD2-CD1 4.47Å; W35-L75 HydrophobicContact CD2-CD2 4.01Å; W35-L75 HydrophobicContact CD2-CG 4.33Å; W35-L75 HydrophobicContact CE3-CB 4.29Å; W35-L75 HydrophobicContact CE3-CD2 3.93Å; W35-L75 HydrophobicContact CG-CB 4.25Å; W35-L75 HydrophobicContact CG-CD1 4.12Å; W35-L75 HydrophobicContact CG-CD2 4.35Å; W35-L75 HydrophobicContact CG-CG 4.49Å; W35-L75 HydrophobicContact CH2-CB 4.22Å; W35-L75 HydrophobicContact CZ2-CB 3.72Å; W35-L75 HydrophobicContact CZ3-CB 4.48Å; W35-L75 HydrophobicContact CZ3-CD2 4.4Å; L47-L75 HydrophobicContact CD2-CD1 3.93Å; L47-L75 HydrophobicContact CD2-CD2 3.85Å; M48-L75 HydrophobicContact CE-CD1 4.04Å; F62-L75 HydrophobicContact CB-CD1 3.76Å; F62-L75 HydrophobicContact CD1-CD1 3.89Å; F62-L75 HydrophobicContact CD1-CD2 4.11Å; F62-L75 HydrophobicContact CD1-CG 3.89Å; F62-L75 HydrophobicContact CE1-CD2 4.35Å; F62-L75 HydrophobicContact CG-CD1 4.04Å; V64-L75 HydrophobicContact CG2-CD1 3.51Å; L75-Y88 HydrophobicContact CD2-CD1 3.57Å; L75-Y88 HydrophobicContact CD2-CE1 4.11Å; L75-Y88 HydrophobicContact CD2-CG 4.21Å
76	N	97.9	Very high	95.4	Very high	34 Å²	34	58 Å²	58	18%	0.182	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.7	-178.9	-57.2	-12.6	0	0	0	109.4	A19 V20 F62 T63 L65	A19-N76 WeakPolarHBondContact O-CA 3.34Å; V20-N76 WeakPolarHBondContact CG1-OD1 3.48Å; V20-N76 HydrophobicContact CG2-CB 4.27Å; V20-N76 WeakPolarHBondContact CG2-OD1 3.33Å; F62-N76 CarbonylContact C-O 3.53Å; F62-N76 VanDerWaalsContact CA-O 3.29Å; F62-N76 WeakPolarHBondContact CA-O 3.47Å; T63-N76 PolarHBondContact N-O 2.69Å; T63-N76 WeakPolarHBondContact O-CB 3.15Å; T63-N76 PolarHBondContact O-N 3.3Å; L65-N76 VanDerWaalsContact CD1-ND2 3.28Å; L65-N76 WeakPolarHBondContact CD1-ND2 3.45Å
77	L	96.5	Very high	95.5	Very high	20 Å²	20	61.2 Å²	61.2	11%	0.105	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.7	171	176.9	60.5	0	0	0	107.4	S18 A19 F62 A80 D84	S18-L77 CarbonylContact C-O 3.56Å; S18-L77 WeakPolarHBondContact CA-O 3.29Å; S18-L77 VanDerWaalsContact CB-O 3.32Å; S18-L77 WeakPolarHBondContact CB-O 3.39Å; A19-L77 HydrophobicContact CB-CB 4.37Å; A19-L77 PolarHBondContact N-O 3.09Å; A19-L77 PolarHBondContact O-N 3.32Å; F62-L77 HydrophobicContact CD1-CB 3.99Å; F62-L77 HydrophobicContact CD1-CD1 4.06Å; F62-L77 HydrophobicContact CE1-CB 3.92Å; F62-L77 HydrophobicContact CE1-CD1 3.76Å; F62-L77 HydrophobicContact CE1-CD2 4.16Å; F62-L77 HydrophobicContact CE1-CG 4.16Å; F62-L77 HydrophobicContact CZ-CD1 4.06Å; L77-A80 HydrophobicContact CD2-CB 3.84Å; L77-D84 HydrophobicContact CD2-CB 3.91Å
78	T	91.8	Very high	95.5	Very high	100 Å²	100	59.6 Å²	59.6	61%	0.613	34%	0.336	S	S	*	.	S	Bend	trans	-83.6	-36.3	-173.4	45.9	0	0	0	0	113.1	S18	S18-T78 WeakPolarHBondContact CB-O 3.45Å
79	A	94.9	Very high	95.7	Very high	37 Å²	37	58.6 Å²	58.6	31%	0.306	33%	0.332	S	S	.	.	S	Bend	trans	-143	108.6	176.6	0	0	0	0	0	109.2	H81	A79-H81 PolarHBondContact O-CE1 2.88Å; A79-H81 PolarHBondContact O-ND1 3.18Å
80	A	95.9	Very high	95.9	Very high	9 Å²	9	50.1 Å²	50.1	7%	0.074	30%	0.296	C	S	.	.			trans	-69.9	135.4	-177.9	0	0	0	0	0	112	V13 E15 G16 D17 L77	V13-A80 HydrophobicContact CB-CB 4.47Å; V13-A80 HydrophobicContact CG1-CB 3.9Å; E15-A80 CarbonylContact C-O 3.52Å; E15-A80 WeakPolarHBondContact CA-O 3.46Å; E15-A80 WeakPolarHBondContact CG-O 3.4Å; G16-A80 PolarHBondContact N-O 2.92Å; D17-A80 WeakPolarHBondContact O-CB 3.41Å; D17-A80 PolarHBondContact O-N 2.75Å; L77-A80 HydrophobicContact CD2-CB 3.84Å
81	H	95.1	Very high	95.9	Very high	112 Å²	112	47.6 Å²	47.6	52%	0.519	29%	0.288	S	S	.	.			trans	-116.2	158.3	171.1	-64.2	81	0	0	0	110.3	A79 G83 D84	A79-H81 PolarHBondContact O-CE1 2.88Å; A79-H81 PolarHBondContact O-ND1 3.18Å; H81-G83 PolarHBondContact O-N 2.79Å; H81-G83 VanDerWaalsContact O-N 3.09Å; H81-D84 PolarHBondContact N-OD2 2.72Å; H81-D84 IonicContact ND1-OD2 3.38Å; H81-D84 WeakPolarHBondContact O-CB 3.42Å; H81-D84 PolarHBondContact O-N 3.12Å
82	P	92.9	Very high	95.7	Very high	95 Å²	95	45.4 Å²	45.4	62%	0.617	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-54.6	-31.4	176.5	-28.3	35.9	0	0	0	113.8	D84 S85	P82-D84 PolarHBondContact O-N 2.94Å; P82-S85 WeakPolarHBondContact O-CB 3.49Å; P82-S85 PolarHBondContact O-N 3.49Å
83	G	92.6	Very high	95.6	Very high	50 Å²	50	44.5 Å²	44.5	52%	0.515	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-69.2	-13	176	0	0	0	0	0	114.9	K37 H81 S85	K37-G83 PolarHBondContact NZ-O 3.05Å; H81-G83 PolarHBondContact O-N 2.79Å; H81-G83 VanDerWaalsContact O-N 3.09Å; G83-S85 VanDerWaalsContact C-N 3.28Å
84	D	95	Very high	95.6	Very high	30 Å²	30	46.8 Å²	46.8	16%	0.16	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-84.6	-5.2	177	-58.2	-38.2	0	0	0	112.2	L77 H81 P82 A86 Y88	L77-D84 HydrophobicContact CD2-CB 3.91Å; H81-D84 PolarHBondContact N-OD2 2.72Å; H81-D84 IonicContact ND1-OD2 3.38Å; H81-D84 WeakPolarHBondContact O-CB 3.42Å; H81-D84 PolarHBondContact O-N 3.12Å; P82-D84 PolarHBondContact O-N 2.94Å; D84-A86 PolarHBondContact O-N 3.02Å; D84-Y88 WeakPolarHBondContact O-CE2 3.43Å; D84-Y88 PolarHBondContact O-OH 2.81Å
85	S	96	Very high	95.4	Very high	97 Å²	97	48.6 Å²	48.6	68%	0.678	31%	0.305	S	S	*	.			trans	-69.1	104.4	176.6	-162.8	0	0	0	0	110.9	P82 G83	P82-S85 WeakPolarHBondContact O-CB 3.49Å; P82-S85 PolarHBondContact O-N 3.49Å; G83-S85 VanDerWaalsContact C-N 3.28Å
86	A	96.7	Very high	95.3	Very high	27 Å²	27	51.2 Å²	51.2	22%	0.223	32%	0.322	C	S	.	.	S	Bend	trans	-161.9	172	-176.3	0	0	0	0	0	110.8	K37 Q38 E39 D84 Y88	K37-A86 HydrophobicContact CD-CB 4.16Å; K37-A86 VanDerWaalsContact CE-CB 3.44Å; K37-A86 HydrophobicContact CG-CB 3.6Å; Q38-A86 WeakPolarHBondContact O-CB 3.48Å; E39-A86 HydrophobicContact CG-CB 4.29Å; D84-A86 PolarHBondContact O-N 3.02Å; A86-Y88 HydrophobicContact CB-CE2 3.96Å; A86-Y88 WeakPolarHBondContact O-CD2 3.38Å; A86-Y88 WeakPolarHBondContact O-CE2 3.24Å
87	V	97.5	Very high	95.1	Very high	78 Å²	78	52.3 Å²	52.3	47%	0.473	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	133.6	165.6	-171.8	0	0	0	0	108.6	Q38 F89	Q38-V87 HydrophobicContact CB-CB 4.46Å; Q38-V87 PolarHBondContact N-O 3.05Å; Q38-V87 PolarHBondContact O-N 2.98Å; V87-F89 HydrophobicContact CB-CE2 3.92Å; V87-F89 HydrophobicContact CB-CZ 4.22Å; V87-F89 HydrophobicContact CG1-CD2 4.15Å; V87-F89 HydrophobicContact CG1-CE1 4.01Å; V87-F89 HydrophobicContact CG1-CE2 3.44Å; V87-F89 VanDerWaalsContact CG1-CE2 3.44Å; V87-F89 HydrophobicContact CG1-CZ 3.36Å
88	Y	97.4	Very high	95	Very high	25 Å²	25	54.5 Å²	54.5	10%	0.098	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.3	179.8	-66	-94.8	0	0	0	109.9	Q6 I21 Y36 K37 L47 F62 L75 D84 A86	Q6-Y88 PolarHBondContact NE2-O 3.48Å; I21-Y88 HydrophobicContact CD1-CD2 3.87Å; I21-Y88 HydrophobicContact CD1-CG 3.84Å; Y36-Y88 CarbonylContact O-C 3.55Å; Y36-Y88 VanDerWaalsContact O-CA 3.31Å; Y36-Y88 WeakPolarHBondContact O-CA 3.34Å; K37-Y88 HydrophobicContact CB-CD1 4.31Å; K37-Y88 HydrophobicContact CB-CE1 4.12Å; K37-Y88 HydrophobicContact CD-CE1 4.18Å; K37-Y88 HydrophobicContact CG-CD1 4.36Å; K37-Y88 HydrophobicContact CG-CE1 3.84Å; L47-Y88 HydrophobicContact CD2-CD1 4.11Å; L47-Y88 HydrophobicContact CD2-CE1 4.01Å; F62-Y88 AromaticContact CE1-CE1 4Å; F62-Y88 HydrophobicContact CE1-CE1 4Å; F62-Y88 AromaticContact CZ-CE1 3.9Å; F62-Y88 HydrophobicContact CZ-CE1 3.9Å; F62-Y88 WeakPolarHBondContact CZ-OH 3.37Å; L75-Y88 HydrophobicContact CD2-CD1 3.57Å; L75-Y88 HydrophobicContact CD2-CE1 4.11Å; L75-Y88 HydrophobicContact CD2-CG 4.21Å; D84-Y88 WeakPolarHBondContact O-CE2 3.43Å; D84-Y88 PolarHBondContact O-OH 2.81Å; A86-Y88 HydrophobicContact CB-CE2 3.96Å; A86-Y88 WeakPolarHBondContact O-CD2 3.38Å; A86-Y88 WeakPolarHBondContact O-CE2 3.24Å
89	F	97.3	Very high	95.3	Very high	77 Å²	77	51.2 Å²	51.2	34%	0.338	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.5	-178.6	-61.7	-85.5	0	0	0	111.1	W35 Y36 Q38 L44 V87	W35-F89 CarbonylContact C-O 3.53Å; W35-F89 WeakPolarHBondContact CA-O 3.41Å; Y36-F89 PolarHBondContact N-O 2.92Å; Y36-F89 PolarHBondContact O-N 2.83Å; Q38-F89 HydrophobicContact CB-CD2 4.44Å; Q38-F89 HydrophobicContact CB-CE2 3.94Å; L44-F89 HydrophobicContact CD1-CD2 3.49Å; L44-F89 VanDerWaalsContact CD1-CD2 3.49Å; L44-F89 HydrophobicContact CD1-CE2 3.93Å; L44-F89 HydrophobicContact CD1-CG 4.24Å; V87-F89 HydrophobicContact CB-CE2 3.92Å; V87-F89 HydrophobicContact CB-CZ 4.22Å; V87-F89 HydrophobicContact CG1-CD2 4.15Å; V87-F89 HydrophobicContact CG1-CE1 4.01Å; V87-F89 HydrophobicContact CG1-CE2 3.44Å; V87-F89 VanDerWaalsContact CG1-CE2 3.44Å; V87-F89 HydrophobicContact CG1-CZ 3.36Å
90	C	96.3	Very high	95.3	Very high	10 Å²	10	52.3 Å²	52.3	7%	0.068	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	140.1	170.5	172.6	0	0	0	0	110	Q6 C23 F34 W35	Q6-C90 HydrophobicContact CG-CB 4.05Å; C23-C90 HydrophobicContact CB-CB 3.38Å; C23-C90 WeakPolarHBondContact CB-SG 3.4Å; C23-C90 WeakPolarHBondContact SG-CB 3.47Å; C23-C90 CovalentContact SG-SG 2.03Å; C23-C90 PolarHBondContact SG-SG 2.86Å; F34-C90 WeakPolarHBondContact O-CA 3.44Å; W35-C90 HydrophobicContact CD2-CB 4.45Å; W35-C90 HydrophobicContact CE3-CB 4.26Å; W35-C90 HydrophobicContact CH2-CB 3.89Å; W35-C90 HydrophobicContact CZ2-CB 4.09Å; W35-C90 HydrophobicContact CZ3-CB 3.98Å
91	A	95	Very high	95.2	Very high	38 Å²	38	55.9 Å²	55.9	31%	0.314	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	139.2	168.8	0	0	0	0	0	109.9	F34 Y36	F34-A91 HydrophobicContact CB-CB 4.29Å; F34-A91 HydrophobicContact CD2-CB 4.47Å; F34-A91 PolarHBondContact N-O 2.94Å; F34-A91 PolarHBondContact O-N 2.97Å; Y36-A91 HydrophobicContact CE2-CB 4.18Å
92	V	91.1	Very high	95.3	Very high	32 Å²	32	50.8 Å²	50.8	19%	0.194	33%	0.334	C	S	.	.			trans	-139	0	-169.8	-172	0	0	0	0	109	V4 Y25 S30 F33	V4-V92 HydrophobicContact CG1-CB 4.13Å; V4-V92 HydrophobicContact CG1-CG2 3.79Å; Y25-V92 HydrophobicContact CD1-CG1 4.11Å; Y25-V92 HydrophobicContact CD1-CG2 4.19Å; Y25-V92 HydrophobicContact CD2-CG1 3.71Å; Y25-V92 HydrophobicContact CE2-CG1 4.27Å; Y25-V92 HydrophobicContact CG-CB 4.31Å; Y25-V92 HydrophobicContact CG-CG1 3.63Å; Y25-V92 HydrophobicContact CG-CG2 4.16Å; S30-V92 WeakPolarHBondContact CB-OXT 3.39Å; S30-V92 VanDerWaalsContact OG-CG1 3.24Å; S30-V92 WeakPolarHBondContact OG-CG1 3.16Å; S30-V92 PolarHBondContact OG-OXT 3.26Å; F33-V92 HydrophobicContact CD1-CB 4.19Å; F33-V92 HydrophobicContact CD1-CG1 3.43Å; F33-V92 VanDerWaalsContact CD1-CG1 3.43Å; F33-V92 HydrophobicContact CD1-CG2 3.98Å; F33-V92 HydrophobicContact CE1-CB 4.43Å; F33-V92 HydrophobicContact CE1-CG1 3.25Å; F33-V92 HydrophobicContact CZ-CG1 4.23Å

Retrieved 92 of 92 residues in 108.6 ms (Link to these results)

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