X5J4K8_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4K8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J4K8_MOUSE|X5J4K8
GGLVQPKGSLKLSCAASGFTFNTYAMNWVRQAPRKGLEWVARIRSKSNNYATYYADSVKDRFTISRDDSQNMLYLQMNNLKTEDTAMYYCVRHEGSPLTGWYFDVWGAGT
					

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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	50.9	Low	73.2	Confident	75 Å²	75	94.8 Å²	94.8	77%	0.773	56%	0.557	S	S	*	*				0	107.3	0	0	0	0	0	0	108.5	T110	G1-T110 WeakPolarHBondContact CA-OXT 3.39Å; G1-T110 PolarHBondContact N-OXT 2.61Å
2	G	57.2	Low	75	Confident	50 Å²	50	87.4 Å²	87.4	52%	0.515	51%	0.513	S	S	.	.			trans	-79.1	146.5	172.9	0	0	0	0	0	111.5	V4	G2-V4 PolarHBondContact O-N 3.26Å
3	L	61.7	Low	76.4	Confident	189 Å²	189	83.4 Å²	83.4	99%	0.99	49%	0.492	S	S	*	.			trans	-67.6	120.7	167.7	-75.1	157.6	0	0	0	108.7
4	V	63.3	Low	77.6	Confident	61 Å²	61	78.2 Å²	78.2	37%	0.37	46%	0.462	S	S	.	.			trans	-119.1	139	178.3	-175.5	0	0	0	0	109.4	G2 L10 L80	G2-V4 PolarHBondContact O-N 3.26Å; V4-L10 HydrophobicContact CG2-CB 4.05Å; V4-L10 HydrophobicContact CG2-CD1 3.88Å; V4-L10 HydrophobicContact CG2-CD2 4.28Å; V4-L10 HydrophobicContact CG2-CG 4.28Å; V4-L80 HydrophobicContact CB-CD1 4.16Å; V4-L80 HydrophobicContact CG1-CD1 4.05Å
5	Q	69.3	Low	78.4	Confident	164 Å²	164	77.7 Å²	77.7	77%	0.766	47%	0.47	S	S	*	.			trans	-67.4	150.8	176.9	-67.1	-171.5	3.8	0	0	111.5	G8	Q5-G8 PolarHBondContact O-N 3.01Å
6	P	65.9	Low	78.9	Confident	82 Å²	82	73.3 Å²	73.3	53%	0.532	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	145.9	170.9	-24.3	33.5	0	0	0	111.7	G8	P6-G8 PolarHBondContact O-N 3.24Å
7	K	76.5	Confident	79.2	Confident	182 Å²	182	73.4 Å²	73.4	79%	0.791	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	-4.3	-169.4	-51	178.5	178.9	179.2	0	115.7	L80	K7-L80 PolarHBondContact N-O 3.42Å
8	G	84.8	Confident	79.5	Confident	22 Å²	22	73.7 Å²	73.7	23%	0.227	47%	0.469	C	S	.	.			trans	-71.7	174.3	170.7	0	0	0	0	0	113	Q5 P6 L80	Q5-G8 PolarHBondContact O-N 3.01Å; P6-G8 PolarHBondContact O-N 3.24Å; G8-L80 WeakPolarHBondContact O-CG 3.04Å; G8-L80 PolarHBondContact O-N 3.29Å
9	S	89.9	Confident	79.6	Confident	66 Å²	66	71.4 Å²	71.4	46%	0.462	45%	0.452	S	S	.	.			trans	-114.8	142.9	169.3	-67.6	0	0	0	0	110.2	M77 N78	S9-M77 CarbonylContact C-O 3.49Å; S9-M77 WeakPolarHBondContact CA-O 3.28Å; S9-N78 WeakPolarHBondContact CB-OD1 3.34Å; S9-N78 PolarHBondContact OG-OD1 2.65Å
10	L	91.9	Very high	79.9	Confident	39 Å²	39	72.3 Å²	72.3	20%	0.204	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.6	174	179.2	60.6	0	0	0	108.8	V4 L12 M77 L80	V4-L10 HydrophobicContact CG2-CB 4.05Å; V4-L10 HydrophobicContact CG2-CD1 3.88Å; V4-L10 HydrophobicContact CG2-CD2 4.28Å; V4-L10 HydrophobicContact CG2-CG 4.28Å; L10-L12 HydrophobicContact CD2-CD2 3.62Å; L10-L12 HydrophobicContact CD2-CG 4.39Å; L10-L12 HydrophobicContact CG-CD2 4Å; L10-M77 PolarHBondContact N-O 2.88Å; L10-M77 WeakPolarHBondContact O-CA 3.44Å; L10-M77 WeakPolarHBondContact O-CB 3.08Å; L10-M77 PolarHBondContact O-N 2.95Å; L10-L80 HydrophobicContact CB-CD1 3.94Å
11	K	94	Very high	80.2	Confident	113 Å²	113	68.9 Å²	68.9	49%	0.491	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	114.9	169.2	-171.9	177.4	177.5	-176.3	0	108.5	L75	K11-L75 WeakPolarHBondContact CA-O 3.48Å
12	L	94.1	Very high	82	Confident	6 Å²	6	68.7 Å²	68.7	3%	0.031	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	149.7	171.7	-57.9	179.6	0	0	0	110.3	L10 W28 Y74 L75 M77 Y88 T110	L10-L12 HydrophobicContact CD2-CD2 3.62Å; L10-L12 HydrophobicContact CD2-CG 4.39Å; L10-L12 HydrophobicContact CG-CD2 4Å; L12-W28 HydrophobicContact CB-CH2 3.88Å; L12-W28 HydrophobicContact CB-CZ2 4.15Å; L12-W28 HydrophobicContact CB-CZ3 4.43Å; L12-W28 HydrophobicContact CD1-CZ3 4.31Å; L12-Y74 VanDerWaalsContact O-CA 3.25Å; L12-Y74 WeakPolarHBondContact O-CA 3.49Å; L12-L75 HydrophobicContact CB-CB 4.23Å; L12-L75 HydrophobicContact CD1-CD2 4.38Å; L12-L75 PolarHBondContact N-O 2.8Å; L12-L75 PolarHBondContact O-N 3.14Å; L12-M77 HydrophobicContact CD1-SD 3.67Å; L12-M77 HydrophobicContact CG-SD 3.83Å; L12-Y88 HydrophobicContact CD1-CD1 3.98Å; L12-Y88 HydrophobicContact CD1-CD2 4.01Å; L12-Y88 HydrophobicContact CD1-CG 3.56Å; L12-T110 VanDerWaalsContact CA-O 3.27Å; L12-T110 WeakPolarHBondContact CA-O 3.36Å
13	S	94	Very high	83.3	Confident	35 Å²	35	70 Å²	70	25%	0.245	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.9	172.4	67.9	0	0	0	0	111.6	L73 T110	S13-L73 CarbonylContact C-O 3.46Å; S13-L73 WeakPolarHBondContact CA-O 3.45Å; S13-T110 PolarHBondContact N-O 3.33Å; S13-T110 PolarHBondContact O-N 2.84Å
14	C	92.4	Very high	84.5	Confident	11 Å²	11	64.3 Å²	64.3	7%	0.074	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	124	171.8	163.1	0	0	0	0	109.4	W28 M72 L73 C90	C14-W28 HydrophobicContact CB-CH2 3.81Å; C14-W28 HydrophobicContact CB-CZ2 4.01Å; C14-M72 WeakPolarHBondContact O-CA 3.38Å; C14-L73 HydrophobicContact CB-CB 4.39Å; C14-L73 PolarHBondContact N-O 3.4Å; C14-L73 PolarHBondContact O-N 2.99Å; C14-C90 HydrophobicContact CB-CB 3.45Å; C14-C90 VanDerWaalsContact CB-CB 3.45Å; C14-C90 WeakPolarHBondContact CB-SG 3.28Å; C14-C90 WeakPolarHBondContact SG-CB 3.35Å; C14-C90 CovalentContact SG-SG 2.02Å; C14-C90 PolarHBondContact SG-SG 2.97Å
15	A	90.5	Very high	85.8	Confident	70 Å²	70	61.7 Å²	61.7	58%	0.579	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	126.2	171.7	0	0	0	0	0	109.6	M72	A15-M72 VanDerWaalsContact CA-SD 3.5Å; A15-M72 HydrophobicContact CB-CE 4.49Å; A15-M72 HydrophobicContact CB-SD 3.55Å; A15-M72 VanDerWaalsContact CB-SD 3.55Å
16	A	86.3	Confident	86.9	Confident	8 Å²	8	54 Å²	54	7%	0.066	33%	0.329	C	S	.	.			trans	-94.1	139.3	172.8	0	0	0	0	0	110.5	F19 F21 N71	A16-F19 HydrophobicContact CB-CE1 3.93Å; A16-F19 HydrophobicContact CB-CE2 4.45Å; A16-F19 HydrophobicContact CB-CZ 3.61Å; A16-F21 HydrophobicContact CB-CD2 3.34Å; A16-F21 HydrophobicContact CB-CE2 3.78Å; A16-F21 HydrophobicContact CB-CG 4.23Å; A16-N71 HydrophobicContact CB-CB 4.33Å; A16-N71 PolarHBondContact N-O 3.11Å; A16-N71 WeakPolarHBondContact O-CB 3.33Å
17	S	84.4	Confident	88.2	Confident	75 Å²	75	50.1 Å²	50.1	52%	0.524	30%	0.304	S	S	.	.			trans	-139.3	172.3	173.5	62.2	0	0	0	0	109.3	F19 W106	S17-F19 VanDerWaalsContact C-N 3.25Å; S17-F19 WeakPolarHBondContact O-CD1 3.36Å; S17-F19 WeakPolarHBondContact O-CE1 3.44Å; S17-F19 PolarHBondContact O-N 3.25Å; S17-F19 VanDerWaalsContact O-N 3.09Å; S17-W106 WeakPolarHBondContact O-CH2 3.32Å; S17-W106 WeakPolarHBondContact O-CZ3 3.47Å
18	G	83.8	Confident	89	Confident	78 Å²	78	41.5 Å²	41.5	80%	0.804	27%	0.266	S	S	*	.	S	Bend	trans	71.8	1.5	173.4	0	0	0	0	0	117.6
19	F	81.1	Confident	89.5	Confident	31 Å²	31	40.8 Å²	40.8	14%	0.136	26%	0.258	C	S	.	.	S	Bend	trans	-151.5	166.2	171.8	63.7	-86.2	0	0	0	112.2	A16 S17 F21 Y24 M26 R92 W106	A16-F19 HydrophobicContact CB-CE1 3.93Å; A16-F19 HydrophobicContact CB-CE2 4.45Å; A16-F19 HydrophobicContact CB-CZ 3.61Å; S17-F19 VanDerWaalsContact C-N 3.25Å; S17-F19 WeakPolarHBondContact O-CD1 3.36Å; S17-F19 WeakPolarHBondContact O-CE1 3.44Å; S17-F19 PolarHBondContact O-N 3.25Å; S17-F19 VanDerWaalsContact O-N 3.09Å; F19-F21 HydrophobicContact CE2-CB 4.21Å; F19-F21 AromaticContact CE2-CD2 3.99Å; F19-F21 HydrophobicContact CE2-CD2 3.99Å; F19-F21 HydrophobicContact CZ-CD2 4.1Å; F19-F21 PolarHBondContact O-N 3.2Å; F19-Y24 HydrophobicContact CB-CE2 4.26Å; F19-Y24 AromaticContact CD2-CD2 3.52Å; F19-Y24 HydrophobicContact CD2-CD2 3.52Å; F19-Y24 AromaticContact CD2-CE2 3.92Å; F19-Y24 HydrophobicContact CD2-CE2 3.92Å; F19-Y24 HydrophobicContact CD2-CG 4.31Å; F19-Y24 HydrophobicContact CE2-CD2 4.07Å; F19-Y24 HydrophobicContact CG-CD2 4.47Å; F19-Y24 HydrophobicContact CG-CE2 4.49Å; F19-M26 HydrophobicContact CE2-SD 4.04Å; F19-M26 HydrophobicContact CZ-CE 3.95Å; F19-M26 HydrophobicContact CZ-SD 4.04Å; F19-R92 VanDerWaalsContact CE2-CD 3.4Å; F19-R92 HydrophobicContact CE2-CG 4.2Å; F19-R92 HydrophobicContact CZ-CB 4.39Å; F19-R92 HydrophobicContact CZ-CG 4.37Å; F19-W106 HydrophobicContact CD1-CD2 4.32Å; F19-W106 AromaticContact CD1-CE2 3.81Å; F19-W106 HydrophobicContact CD1-CH2 4.23Å; F19-W106 AromaticContact CD1-CZ2 3.75Å; F19-W106 HydrophobicContact CD1-CZ2 3.75Å; F19-W106 AromaticContact CE1-CD2 3.84Å; F19-W106 HydrophobicContact CE1-CD2 3.84Å; F19-W106 AromaticContact CE1-CE2 3.75Å; F19-W106 HydrophobicContact CE1-CE3 4.3Å; F19-W106 HydrophobicContact CE1-CG 4.23Å; F19-W106 HydrophobicContact CE1-CZ2 4.13Å
20	T	86.7	Confident	89.6	Confident	88 Å²	88	38.3 Å²	38.3	54%	0.54	24%	0.238	S	C	.	.			trans	-74.7	87.2	175.4	-44.9	0	0	0	0	110.6	N22 T23 Y24	T20-N22 VanDerWaalsContact C-N 3.27Å; T20-N22 WeakPolarHBondContact CG2-OD1 3.38Å; T20-N22 PolarHBondContact O-N 2.93Å; T20-N22 VanDerWaalsContact O-N 3.1Å; T20-T23 HydrophobicContact CG2-CG2 3.96Å; T20-T23 PolarHBondContact O-N 2.91Å; T20-T23 VanDerWaalsContact O-N 3.15Å; T20-T23 PolarHBondContact O-OG1 3.06Å; T20-Y24 WeakPolarHBondContact O-CD2 3.36Å
21	F	86.4	Confident	89.6	Confident	1 Å²	1	40.2 Å²	40.2	0%	0.004	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-48.4	-43.6	-171.8	-179.4	-106.6	0	0	0	114.8	A16 F19 T23 Y24 M26 R66 D68 N71 M72 L73	A16-F21 HydrophobicContact CB-CD2 3.34Å; A16-F21 HydrophobicContact CB-CE2 3.78Å; A16-F21 HydrophobicContact CB-CG 4.23Å; F19-F21 HydrophobicContact CE2-CB 4.21Å; F19-F21 AromaticContact CE2-CD2 3.99Å; F19-F21 HydrophobicContact CE2-CD2 3.99Å; F19-F21 HydrophobicContact CZ-CD2 4.1Å; F19-F21 PolarHBondContact O-N 3.2Å; F21-T23 PolarHBondContact O-N 2.81Å; F21-T23 VanDerWaalsContact O-N 3.15Å; F21-Y24 PolarHBondContact O-N 3.35Å; F21-M26 HydrophobicContact CD2-CE 4.31Å; F21-M26 HydrophobicContact CD2-CG 4.2Å; F21-M26 HydrophobicContact CD2-SD 4.06Å; F21-M26 HydrophobicContact CE2-CE 3.93Å; F21-M26 HydrophobicContact CE2-CG 3.59Å; F21-M26 HydrophobicContact CE2-SD 3.91Å; F21-M26 HydrophobicContact CZ-CG 4.06Å; F21-R66 VanDerWaalsContact C-NH2 3.34Å; F21-R66 HydrophobicContact CE1-CB 4.08Å; F21-R66 VanDerWaalsContact CE1-NH2 3.25Å; F21-R66 HydrophobicContact CZ-CB 4.05Å; F21-R66 PolarHBondContact O-NH2 2.78Å; F21-D68 VanDerWaalsContact CD1-OD1 3.3Å; F21-D68 WeakPolarHBondContact CD1-OD1 3.44Å; F21-D68 VanDerWaalsContact CE1-OD1 3.28Å; F21-D68 WeakPolarHBondContact CE1-OD1 3.32Å; F21-N71 HydrophobicContact CB-CB 4.11Å; F21-N71 VanDerWaalsContact CB-OD1 3.29Å; F21-N71 WeakPolarHBondContact CB-OD1 3.37Å; F21-N71 HydrophobicContact CD1-CB 4.43Å; F21-N71 HydrophobicContact CG-CB 4.19Å; F21-M72 WeakPolarHBondContact CZ-O 3.39Å; F21-L73 HydrophobicContact CZ-CB 4.37Å
22	N	86.9	Confident	89.5	Confident	71 Å²	71	35.5 Å²	35.5	38%	0.38	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-64.4	-18	-174.6	71.6	12.9	0	0	0	115.2	T20 S45 D68	T20-N22 VanDerWaalsContact C-N 3.27Å; T20-N22 WeakPolarHBondContact CG2-OD1 3.38Å; T20-N22 PolarHBondContact O-N 2.93Å; T20-N22 VanDerWaalsContact O-N 3.1Å; N22-S45 VanDerWaalsContact O-CB 3.29Å; N22-S45 WeakPolarHBondContact O-CB 3.21Å; N22-D68 HydrophobicContact CB-CB 4.19Å
23	T	86.5	Confident	89.3	Confident	78 Å²	78	40.4 Å²	40.4	48%	0.479	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-90.1	-19.5	-178.2	62.7	0	0	0	0	113	T20 F21 S45	T20-T23 HydrophobicContact CG2-CG2 3.96Å; T20-T23 PolarHBondContact O-N 2.91Å; T20-T23 VanDerWaalsContact O-N 3.15Å; T20-T23 PolarHBondContact O-OG1 3.06Å; F21-T23 PolarHBondContact O-N 2.81Å; F21-T23 VanDerWaalsContact O-N 3.15Å; T23-S45 VanDerWaalsContact O-CB 3.28Å; T23-S45 WeakPolarHBondContact O-CB 3.4Å; T23-S45 PolarHBondContact O-OG 2.81Å
24	Y	86.8	Confident	89	Confident	69 Å²	69	51.2 Å²	51.2	27%	0.271	30%	0.296	S	S	.	.	S	Bend	trans	-98.8	150.4	-175.7	-65.5	-88.2	0	0	0	113.1	F19 T20 F21 R66 R92 E94	F19-Y24 HydrophobicContact CB-CE2 4.26Å; F19-Y24 AromaticContact CD2-CD2 3.52Å; F19-Y24 HydrophobicContact CD2-CD2 3.52Å; F19-Y24 AromaticContact CD2-CE2 3.92Å; F19-Y24 HydrophobicContact CD2-CE2 3.92Å; F19-Y24 HydrophobicContact CD2-CG 4.31Å; F19-Y24 HydrophobicContact CE2-CD2 4.07Å; F19-Y24 HydrophobicContact CG-CD2 4.47Å; F19-Y24 HydrophobicContact CG-CE2 4.49Å; T20-Y24 WeakPolarHBondContact O-CD2 3.36Å; F21-Y24 PolarHBondContact O-N 3.35Å; Y24-R66 PolarHBondContact O-NH1 3.47Å; Y24-R92 HydrophobicContact CD1-CG 3.78Å; Y24-R92 VanDerWaalsContact CG-CD 3.47Å; Y24-R92 HydrophobicContact CG-CG 3.74Å; Y24-R92 PolarHBondContact OH-NH1 3Å; Y24-E94 HydrophobicContact CD1-CG 4.28Å; Y24-E94 HydrophobicContact CE1-CG 3.87Å
25	A	90.1	Very high	88.8	Confident	7 Å²	7	56.6 Å²	56.6	6%	0.058	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	140	162.7	0	0	0	0	0	109.4	I43 H93	A25-I43 WeakPolarHBondContact CA-O 3.34Å; A25-H93 HydrophobicContact CB-CB 4.16Å; A25-H93 PolarHBondContact O-N 2.81Å
26	M	91.4	Very high	88.7	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	145	-177.9	-59.4	-55	-62.4	0	0	109.6	F19 F21 R42 I43 L73 R92	F19-M26 HydrophobicContact CE2-SD 4.04Å; F19-M26 HydrophobicContact CZ-CE 3.95Å; F19-M26 HydrophobicContact CZ-SD 4.04Å; F21-M26 HydrophobicContact CD2-CE 4.31Å; F21-M26 HydrophobicContact CD2-CG 4.2Å; F21-M26 HydrophobicContact CD2-SD 4.06Å; F21-M26 HydrophobicContact CE2-CE 3.93Å; F21-M26 HydrophobicContact CE2-CG 3.59Å; F21-M26 HydrophobicContact CE2-SD 3.91Å; F21-M26 HydrophobicContact CZ-CG 4.06Å; M26-R42 CarbonylContact O-C 3.54Å; M26-R42 WeakPolarHBondContact O-CA 3.12Å; M26-I43 HydrophobicContact CB-CG2 4.02Å; M26-I43 PolarHBondContact N-O 2.81Å; M26-I43 PolarHBondContact O-N 3.5Å; M26-L73 HydrophobicContact CB-CD1 3.63Å; M26-L73 HydrophobicContact CB-CD2 3.91Å; M26-L73 HydrophobicContact CB-CG 4.35Å; M26-L73 HydrophobicContact CG-CD1 4.37Å; M26-R92 HydrophobicContact CE-CB 4.21Å; M26-R92 HydrophobicContact SD-CB 4.13Å; M26-R92 HydrophobicContact SD-CG 4.12Å
27	N	93.3	Very high	88.9	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.011	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	154.2	-176.2	-53.3	-99.3	0	0	0	109.9	W39 A41 R42 C90 V91 H93	N27-W39 PolarHBondContact OD1-NE1 2.88Å; N27-A41 CarbonylContact C-O 3.47Å; N27-A41 WeakPolarHBondContact CA-O 3.36Å; N27-R42 VanDerWaalsContact OD1-CB 3.25Å; N27-R42 WeakPolarHBondContact OD1-CB 3.45Å; N27-R42 WeakPolarHBondContact OD1-CD 3.25Å; N27-R42 VanDerWaalsContact OD1-CG 3.25Å; N27-R42 WeakPolarHBondContact OD1-CG 3.25Å; N27-C90 WeakPolarHBondContact O-CA 3.43Å; N27-V91 HydrophobicContact CB-CG2 3.78Å; N27-V91 PolarHBondContact N-O 2.61Å; N27-V91 PolarHBondContact ND2-O 2.99Å; N27-V91 PolarHBondContact O-N 3.25Å; N27-H93 WeakPolarHBondContact ND2-CB 3.3Å
28	W	94.5	Very high	89.2	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.4	160.2	-76.2	99.9	0	0	0	108.7	L12 C14 V40 A41 L73 Y74 L75 Y89 C90	L12-W28 HydrophobicContact CB-CH2 3.88Å; L12-W28 HydrophobicContact CB-CZ2 4.15Å; L12-W28 HydrophobicContact CB-CZ3 4.43Å; L12-W28 HydrophobicContact CD1-CZ3 4.31Å; C14-W28 HydrophobicContact CB-CH2 3.81Å; C14-W28 HydrophobicContact CB-CZ2 4.01Å; W28-V40 HydrophobicContact CB-CB 4.15Å; W28-V40 WeakPolarHBondContact O-CB 3.2Å; W28-V40 PolarHBondContact O-N 3.14Å; W28-A41 PolarHBondContact N-O 2.84Å; W28-A41 PolarHBondContact O-N 2.66Å; W28-L73 HydrophobicContact CD2-CD2 4.37Å; W28-L73 HydrophobicContact CG-CD2 4.4Å; W28-L73 HydrophobicContact CZ2-CD2 4.29Å; W28-L73 HydrophobicContact CZ2-CG 4.39Å; W28-Y74 PolarHBondContact NE1-O 2.9Å; W28-L75 HydrophobicContact CB-CD2 4.22Å; W28-L75 HydrophobicContact CD2-CB 4.15Å; W28-L75 HydrophobicContact CD2-CD2 4.3Å; W28-L75 HydrophobicContact CG-CB 4.18Å; W28-L75 HydrophobicContact CG-CD1 4.39Å; W28-L75 HydrophobicContact CG-CD2 4.02Å; W28-L75 HydrophobicContact CG-CG 4.44Å; W28-L75 HydrophobicContact CZ2-CB 4.29Å; W28-Y89 WeakPolarHBondContact CA-O 3.29Å; W28-C90 HydrophobicContact CH2-CB 4.41Å; W28-C90 HydrophobicContact CZ3-CB 4.35Å
29	V	93.9	Very high	89.7	Confident	8 Å²	8	60.2 Å²	60.2	5%	0.048	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	156.8	167.1	-63.3	0	0	0	0	108.4	L37 E38 Y88 Y89 V91	V29-L37 HydrophobicContact CG2-CD2 4Å; V29-E38 CarbonylContact C-O 3.41Å; V29-E38 WeakPolarHBondContact CA-O 3.34Å; V29-E38 WeakPolarHBondContact CB-O 3.5Å; V29-Y88 CarbonylContact O-C 3.53Å; V29-Y88 WeakPolarHBondContact O-CA 3.49Å; V29-Y89 HydrophobicContact CG2-CD2 4.32Å; V29-Y89 PolarHBondContact N-O 2.83Å; V29-Y89 PolarHBondContact O-N 2.75Å; V29-V91 HydrophobicContact CB-CG2 4.12Å; V29-V91 HydrophobicContact CG1-CG2 3.52Å; V29-V91 HydrophobicContact CG2-CG1 4.38Å; V29-V91 HydrophobicContact CG2-CG2 3.7Å
30	R	93.7	Very high	90.4	Very high	14 Å²	14	58.8 Å²	58.8	5%	0.053	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153.7	175.3	72.8	-178.3	-176.4	-174.8	3.7	111.7	E38 V40 D84 A86 M87 Y88	R30-E38 HydrophobicContact CG-CB 4.06Å; R30-E38 IonicContact CZ-OE2 2.91Å; R30-E38 PolarHBondContact N-O 3.03Å; R30-E38 IonicContact NE-OE2 3.87Å; R30-E38 PolarHBondContact NE-OE2 3.09Å; R30-E38 IonicContact NH2-OE2 3.89Å; R30-E38 PolarHBondContact NH2-OE2 2.88Å; R30-E38 PolarHBondContact O-N 2.96Å; R30-V40 HydrophobicContact CB-CG2 3.86Å; R30-V40 HydrophobicContact CG-CG2 3.63Å; R30-D84 IonicContact NH1-OD1 3.35Å; R30-D84 PolarHBondContact NH1-OD1 3.47Å; R30-A86 HydrophobicContact CB-CB 3.86Å; R30-A86 HydrophobicContact CG-CB 4.13Å; R30-M87 CarbonylContact C-O 3.59Å; R30-M87 WeakPolarHBondContact CA-O 3.27Å; R30-Y88 HydrophobicContact CB-CD1 3.76Å; R30-Y88 HydrophobicContact CB-CD2 4.39Å; R30-Y88 HydrophobicContact CB-CE1 3.69Å; R30-Y88 HydrophobicContact CB-CE2 4.31Å; R30-Y88 HydrophobicContact CB-CG 4.11Å; R30-Y88 WeakPolarHBondContact CD-OH 3.38Å; R30-Y88 HydrophobicContact CG-CE1 4.33Å; R30-Y88 PolarHBondContact NH1-OH 2.91Å
31	Q	91.9	Very high	90.9	Very high	78 Å²	78	54.6 Å²	54.6	36%	0.364	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	110.6	174.1	-167.2	175.8	22.1	0	0	109.5	K35 L37 A86 M87 Y89	Q31-K35 WeakPolarHBondContact CG-O 3.37Å; Q31-K35 PolarHBondContact NE2-O 3.21Å; Q31-L37 HydrophobicContact CB-CD2 4.04Å; Q31-A86 WeakPolarHBondContact O-CB 3.04Å; Q31-M87 PolarHBondContact N-O 3.31Å; Q31-M87 PolarHBondContact O-N 3.14Å; Q31-Y89 HydrophobicContact CB-CE2 4.02Å
32	A	91.4	Very high	91.3	Very high	14 Å²	14	57.1 Å²	57.1	12%	0.116	28%	0.282	C	S	.	.			trans	-77.9	156.5	170.9	0	0	0	0	0	110.4	R34 K35 A86	A32-R34 PolarHBondContact O-N 3.17Å; A32-K35 HydrophobicContact CB-CB 4.17Å; A32-K35 HydrophobicContact CB-CD 4.03Å; A32-K35 HydrophobicContact CB-CG 4.16Å; A32-K35 PolarHBondContact O-N 3.22Å; A32-A86 HydrophobicContact CB-CB 4.29Å
33	P	89.1	Confident	91.7	Very high	109 Å²	109	54.1 Å²	54.1	71%	0.708	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	128.6	175.8	-25.5	34.4	0	0	0	111.5	K35	P33-K35 PolarHBondContact O-N 2.94Å
34	R	88.8	Confident	92	Very high	263 Å²	263	54.1 Å²	54.1	99%	0.992	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	13.9	-178.7	-49.8	177.2	178.5	167.9	-0.9	115.5	A32	A32-R34 PolarHBondContact O-N 3.17Å
35	K	87.4	Confident	92.2	Very high	124 Å²	124	51.2 Å²	51.2	54%	0.539	25%	0.247	S	C	.	.			trans	-110.6	161.8	172.3	-63.8	-162.8	-179.4	179.1	0	111.8	Q31 A32 P33 E38	Q31-K35 WeakPolarHBondContact CG-O 3.37Å; Q31-K35 PolarHBondContact NE2-O 3.21Å; A32-K35 HydrophobicContact CB-CB 4.17Å; A32-K35 HydrophobicContact CB-CD 4.03Å; A32-K35 HydrophobicContact CB-CG 4.16Å; A32-K35 PolarHBondContact O-N 3.22Å; P33-K35 PolarHBondContact O-N 2.94Å; K35-E38 IonicContact NZ-OE1 2.9Å
36	G	88.4	Confident	92.1	Very high	50 Å²	50	57.2 Å²	57.2	52%	0.515	27%	0.272	S	S	.	.			trans	-71.5	179.5	168.6	0	0	0	0	0	112.4
37	L	89.8	Confident	92	Very high	105 Å²	105	61.8 Å²	61.8	55%	0.55	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	130.3	172.3	-71.9	166.3	0	0	0	110.3	V29 Q31 Y89	V29-L37 HydrophobicContact CG2-CD2 4Å; Q31-L37 HydrophobicContact CB-CD2 4.04Å; L37-Y89 HydrophobicContact CD2-CD2 4.22Å; L37-Y89 HydrophobicContact CD2-CE2 4.43Å
38	E	92.5	Very high	91.8	Very high	62 Å²	62	65 Å²	65	29%	0.29	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131	176.1	-64.5	176.9	176.1	0	0	109.3	V29 R30 K35	V29-E38 CarbonylContact C-O 3.41Å; V29-E38 WeakPolarHBondContact CA-O 3.34Å; V29-E38 WeakPolarHBondContact CB-O 3.5Å; R30-E38 HydrophobicContact CG-CB 4.06Å; R30-E38 IonicContact CZ-OE2 2.91Å; R30-E38 PolarHBondContact N-O 3.03Å; R30-E38 IonicContact NE-OE2 3.87Å; R30-E38 PolarHBondContact NE-OE2 3.09Å; R30-E38 IonicContact NH2-OE2 3.89Å; R30-E38 PolarHBondContact NH2-OE2 2.88Å; R30-E38 PolarHBondContact O-N 2.96Å; K35-E38 IonicContact NZ-OE1 2.9Å
39	W	93.9	Very high	91.7	Very high	90 Å²	90	72.1 Å²	72.1	34%	0.341	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	137.3	173.4	178.5	86.6	0	0	0	111.1	N27 R42 A55	N27-W39 PolarHBondContact OD1-NE1 2.88Å; W39-R42 HydrophobicContact CZ2-CB 3.61Å; W39-A55 HydrophobicContact CE3-CB 3.86Å; W39-A55 HydrophobicContact CZ3-CB 3.91Å; W39-A55 WeakPolarHBondContact O-CB 3.43Å
40	V	95.6	Very high	91.8	Very high	1 Å²	1	75.9 Å²	75.9	1%	0.006	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-54.8	-173.8	178	0	0	0	0	111.6	W28 R30 A55 V58 F62 L75 Y88	W28-V40 HydrophobicContact CB-CB 4.15Å; W28-V40 WeakPolarHBondContact O-CB 3.2Å; W28-V40 PolarHBondContact O-N 3.14Å; R30-V40 HydrophobicContact CB-CG2 3.86Å; R30-V40 HydrophobicContact CG-CG2 3.63Å; V40-A55 PolarHBondContact O-N 3.01Å; V40-V58 HydrophobicContact CG1-CG1 4.3Å; V40-V58 HydrophobicContact CG1-CG2 3.96Å; V40-V58 WeakPolarHBondContact O-CG2 3.29Å; V40-F62 HydrophobicContact CG1-CD2 3.84Å; V40-F62 HydrophobicContact CG1-CE2 4.22Å; V40-L75 HydrophobicContact CG1-CD2 4.12Å; V40-Y88 HydrophobicContact CG1-CE1 4.41Å; V40-Y88 HydrophobicContact CG2-CD1 4.42Å; V40-Y88 HydrophobicContact CG2-CE1 4.07Å
41	A	96.3	Very high	91.8	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	157.7	-177.2	0	0	0	0	0	111.6	N27 W28 Y53 Y54 I64 L75	N27-A41 CarbonylContact C-O 3.47Å; N27-A41 WeakPolarHBondContact CA-O 3.36Å; W28-A41 PolarHBondContact N-O 2.84Å; W28-A41 PolarHBondContact O-N 2.66Å; A41-Y53 CarbonylContact C-O 3.52Å; A41-Y53 WeakPolarHBondContact CA-O 3.23Å; A41-Y54 HydrophobicContact CB-CD1 3.73Å; A41-Y54 HydrophobicContact CB-CE1 4.04Å; A41-I64 HydrophobicContact CB-CB 3.99Å; A41-I64 HydrophobicContact CB-CD1 4.11Å; A41-I64 HydrophobicContact CB-CG2 4.11Å; A41-L75 HydrophobicContact CB-CD1 4.29Å
42	R	95	Very high	92.1	Very high	53 Å²	53	75.9 Å²	75.9	20%	0.2	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	144	175.4	179.3	177.2	170.8	173.1	3.3	110.7	M26 N27 W39 T52 Y53	M26-R42 CarbonylContact O-C 3.54Å; M26-R42 WeakPolarHBondContact O-CA 3.12Å; N27-R42 VanDerWaalsContact OD1-CB 3.25Å; N27-R42 WeakPolarHBondContact OD1-CB 3.45Å; N27-R42 WeakPolarHBondContact OD1-CD 3.25Å; N27-R42 VanDerWaalsContact OD1-CG 3.25Å; N27-R42 WeakPolarHBondContact OD1-CG 3.25Å; W39-R42 HydrophobicContact CZ2-CB 3.61Å; R42-T52 CarbonylContact O-C 3.58Å; R42-T52 VanDerWaalsContact O-CA 3.23Å; R42-T52 WeakPolarHBondContact O-CA 3.45Å; R42-Y53 HydrophobicContact CB-CD2 4.47Å; R42-Y53 PolarHBondContact N-O 2.92Å; R42-Y53 PolarHBondContact O-N 3.17Å
43	I	95.3	Very high	92.3	Very high	9 Å²	9	80 Å²	80	5%	0.046	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125.3	165.7	-173.1	159	0	0	0	108.6	A25 M26 T52 I64 R66 L73	A25-I43 WeakPolarHBondContact CA-O 3.34Å; M26-I43 HydrophobicContact CB-CG2 4.02Å; M26-I43 PolarHBondContact N-O 2.81Å; M26-I43 PolarHBondContact O-N 3.5Å; I43-T52 HydrophobicContact CB-CG2 4.21Å; I43-T52 HydrophobicContact CD1-CG2 3.98Å; I43-T52 HydrophobicContact CG1-CG2 3.95Å; I43-I64 HydrophobicContact CB-CD1 4.03Å; I43-I64 HydrophobicContact CB-CG1 4.2Å; I43-I64 HydrophobicContact CB-CG2 4.09Å; I43-I64 HydrophobicContact CG2-CD1 3.74Å; I43-I64 HydrophobicContact CG2-CG1 4.01Å; I43-R66 HydrophobicContact CD1-CB 4.34Å; I43-R66 HydrophobicContact CD1-CG 3.72Å; I43-R66 HydrophobicContact CG1-CG 4.37Å; I43-R66 HydrophobicContact CG2-CB 4.46Å; I43-L73 HydrophobicContact CG2-CD1 3.66Å
44	R	92.8	Very high	92.7	Very high	78 Å²	78	77.6 Å²	77.6	29%	0.294	37%	0.374	S	S	.	.			trans	-72.3	167.7	176.8	-64.5	-166.5	176.2	179.7	2	111.3	N48 A51 Y53 R66	R44-N48 HydrophobicContact CB-CB 3.57Å; R44-N48 HydrophobicContact CG-CB 4.24Å; R44-A51 HydrophobicContact CB-CB 4.49Å; R44-A51 HydrophobicContact CG-CB 4.31Å; R44-A51 PolarHBondContact N-O 3Å; R44-Y53 HydrophobicContact CG-CE2 4.14Å; R44-Y53 PolarHBondContact NH2-OH 3.35Å; R44-R66 PolarHBondContact O-NH1 3.06Å
45	S	90.9	Very high	93	Very high	7 Å²	7	65.9 Å²	65.9	5%	0.049	33%	0.333	C	S	.	.			trans	-68.1	170.1	174.4	53.9	0	0	0	0	112.2	N22 T23 S47 N48 Y50	N22-S45 VanDerWaalsContact O-CB 3.29Å; N22-S45 WeakPolarHBondContact O-CB 3.21Å; T23-S45 VanDerWaalsContact O-CB 3.28Å; T23-S45 WeakPolarHBondContact O-CB 3.4Å; T23-S45 PolarHBondContact O-OG 2.81Å; S45-S47 VanDerWaalsContact C-N 3.26Å; S45-S47 PolarHBondContact O-N 3.32Å; S45-S47 PolarHBondContact OG-OG 3.18Å; S45-N48 CarbonylContact O-C 3.54Å; S45-N48 PolarHBondContact O-N 2.83Å; S45-N48 PolarHBondContact OG-ND2 3.06Å; S45-Y50 PolarHBondContact O-N 3.43Å
46	K	89.1	Confident	93.4	Very high	133 Å²	133	66.9 Å²	66.9	58%	0.578	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-54.4	-40	178.4	-175.3	173.1	-175.8	176.7	0	113	N48 N49 Y50	K46-N48 PolarHBondContact O-N 2.88Å; K46-N48 VanDerWaalsContact O-N 3.13Å; K46-N49 PolarHBondContact O-N 2.9Å; K46-N49 VanDerWaalsContact O-N 3.09Å; K46-Y50 HydrophobicContact CB-CE1 3.92Å; K46-Y50 HydrophobicContact CB-CE2 4.31Å; K46-Y50 WeakPolarHBondContact CB-OH 3.36Å; K46-Y50 WeakPolarHBondContact CD-OH 3.3Å; K46-Y50 HydrophobicContact CG-CE1 4.46Å; K46-Y50 HydrophobicContact CG-CE2 4Å; K46-Y50 WeakPolarHBondContact CG-OH 3.41Å
47	S	89.4	Confident	93.6	Very high	98 Å²	98	67.5 Å²	67.5	69%	0.685	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-64	-16.8	179.2	58.6	0	0	0	0	114.1	S45	S45-S47 VanDerWaalsContact C-N 3.26Å; S45-S47 PolarHBondContact O-N 3.32Å; S45-S47 PolarHBondContact OG-OG 3.18Å
48	N	88.9	Confident	93.9	Very high	70 Å²	70	62.5 Å²	62.5	37%	0.374	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-110.7	28.6	178.6	-74.4	-94.2	0	0	0	111.3	R44 S45 K46 Y50 A51	R44-N48 HydrophobicContact CB-CB 3.57Å; R44-N48 HydrophobicContact CG-CB 4.24Å; S45-N48 CarbonylContact O-C 3.54Å; S45-N48 PolarHBondContact O-N 2.83Å; S45-N48 PolarHBondContact OG-ND2 3.06Å; K46-N48 PolarHBondContact O-N 2.88Å; K46-N48 VanDerWaalsContact O-N 3.13Å; N48-Y50 PolarHBondContact O-N 3.38Å; N48-Y50 VanDerWaalsContact O-N 3.08Å; N48-A51 PolarHBondContact O-N 2.73Å
49	N	92.3	Very high	94	Very high	148 Å²	148	65 Å²	65	79%	0.791	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	31.1	175.9	-59.5	-28.7	0	0	0	114.2	K46 A51	K46-N49 PolarHBondContact O-N 2.9Å; K46-N49 VanDerWaalsContact O-N 3.09Å; N49-A51 PolarHBondContact O-N 2.92Å; N49-A51 VanDerWaalsContact O-N 3.08Å
50	Y	94.7	Very high	94.1	Very high	87 Å²	87	68.1 Å²	68.1	34%	0.341	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	28.4	179.4	-56.4	-68.4	0	0	0	114.4	S45 K46 N48 T52 R66 D68	S45-Y50 PolarHBondContact O-N 3.43Å; K46-Y50 HydrophobicContact CB-CE1 3.92Å; K46-Y50 HydrophobicContact CB-CE2 4.31Å; K46-Y50 WeakPolarHBondContact CB-OH 3.36Å; K46-Y50 WeakPolarHBondContact CD-OH 3.3Å; K46-Y50 HydrophobicContact CG-CE1 4.46Å; K46-Y50 HydrophobicContact CG-CE2 4Å; K46-Y50 WeakPolarHBondContact CG-OH 3.41Å; N48-Y50 PolarHBondContact O-N 3.38Å; N48-Y50 VanDerWaalsContact O-N 3.08Å; Y50-T52 WeakPolarHBondContact O-CG2 3.27Å; Y50-T52 PolarHBondContact O-N 3.31Å; Y50-R66 HydrophobicContact CD1-CG 4.31Å; Y50-R66 HydrophobicContact CE1-CG 4.35Å; Y50-D68 WeakPolarHBondContact CE1-OD2 3.37Å; Y50-D68 PolarHBondContact OH-OD2 2.88Å
51	A	95.3	Very high	94.1	Very high	33 Å²	33	69.2 Å²	69.2	27%	0.273	35%	0.352	S	S	.	.			trans	-54.5	131.6	-178.6	0	0	0	0	0	111.5	R44 N48 N49 Y53	R44-A51 HydrophobicContact CB-CB 4.49Å; R44-A51 HydrophobicContact CG-CB 4.31Å; R44-A51 PolarHBondContact N-O 3Å; N48-A51 PolarHBondContact O-N 2.73Å; N49-A51 PolarHBondContact O-N 2.92Å; N49-A51 VanDerWaalsContact O-N 3.08Å; A51-Y53 HydrophobicContact CB-CE2 4.11Å
52	T	96.7	Very high	94.1	Very high	59 Å²	59	69.4 Å²	69.4	36%	0.362	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	147.2	-177	59.4	0	0	0	0	112.1	R42 I43 Y50 I64	R42-T52 CarbonylContact O-C 3.58Å; R42-T52 VanDerWaalsContact O-CA 3.23Å; R42-T52 WeakPolarHBondContact O-CA 3.45Å; I43-T52 HydrophobicContact CB-CG2 4.21Å; I43-T52 HydrophobicContact CD1-CG2 3.98Å; I43-T52 HydrophobicContact CG1-CG2 3.95Å; Y50-T52 WeakPolarHBondContact O-CG2 3.27Å; Y50-T52 PolarHBondContact O-N 3.31Å; T52-I64 HydrophobicContact CG2-CG2 3.74Å
53	Y	96	Very high	94.3	Very high	101 Å²	101	70.2 Å²	70.2	40%	0.396	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	146.6	177.8	-56.5	-91.8	0	0	0	109	A41 R42 R44 A51	A41-Y53 CarbonylContact C-O 3.52Å; A41-Y53 WeakPolarHBondContact CA-O 3.23Å; R42-Y53 HydrophobicContact CB-CD2 4.47Å; R42-Y53 PolarHBondContact N-O 2.92Å; R42-Y53 PolarHBondContact O-N 3.17Å; R44-Y53 HydrophobicContact CG-CE2 4.14Å; R44-Y53 PolarHBondContact NH2-OH 3.35Å; A51-Y53 HydrophobicContact CB-CE2 4.11Å
54	Y	96.9	Very high	94.4	Very high	59 Å²	59	70 Å²	70	23%	0.231	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	146.2	-175.4	-59	-85.2	0	0	0	110.4	A41 F62 I64	A41-Y54 HydrophobicContact CB-CD1 3.73Å; A41-Y54 HydrophobicContact CB-CE1 4.04Å; Y54-F62 VanDerWaalsContact CE1-O 3.23Å; Y54-F62 WeakPolarHBondContact CE1-O 3.47Å; Y54-I64 HydrophobicContact CE1-CB 4.27Å; Y54-I64 HydrophobicContact CE1-CG2 3.84Å; Y54-I64 PolarHBondContact OH-N 2.89Å; Y54-I64 VanDerWaalsContact OH-N 3.14Å
55	A	96	Very high	94.6	Very high	16 Å²	16	68.6 Å²	68.6	13%	0.132	36%	0.364	C	S	.	.			trans	-70	146.9	169.8	0	0	0	0	0	110.1	W39 V40 S57 V58 K59	W39-A55 HydrophobicContact CE3-CB 3.86Å; W39-A55 HydrophobicContact CZ3-CB 3.91Å; W39-A55 WeakPolarHBondContact O-CB 3.43Å; V40-A55 PolarHBondContact O-N 3.01Å; A55-S57 PolarHBondContact O-N 3.3Å; A55-S57 VanDerWaalsContact O-N 3.11Å; A55-V58 HydrophobicContact CB-CG2 4.21Å; A55-V58 WeakPolarHBondContact O-CG2 3.2Å; A55-V58 PolarHBondContact O-N 3.3Å; A55-K59 PolarHBondContact O-N 2.83Å
56	D	95.7	Very high	94.8	Very high	145 Å²	145	69.7 Å²	69.7	78%	0.775	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.4	-178.3	-66.3	-35.3	0	0	0	112.5	V58	D56-V58 PolarHBondContact O-N 3.45Å
57	S	93.6	Very high	95.1	Very high	63 Å²	63	65.5 Å²	65.5	44%	0.441	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.1	177.2	57.9	0	0	0	0	114.4	A55 R61	A55-S57 PolarHBondContact O-N 3.3Å; A55-S57 VanDerWaalsContact O-N 3.11Å; S57-R61 PolarHBondContact O-NH2 3.3Å
58	V	95.5	Very high	95.2	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-2.4	-174.1	-57.7	0	0	0	0	113.8	V40 A55 D56 R61 F62	V40-V58 HydrophobicContact CG1-CG1 4.3Å; V40-V58 HydrophobicContact CG1-CG2 3.96Å; V40-V58 WeakPolarHBondContact O-CG2 3.29Å; A55-V58 HydrophobicContact CB-CG2 4.21Å; A55-V58 WeakPolarHBondContact O-CG2 3.2Å; A55-V58 PolarHBondContact O-N 3.3Å; D56-V58 PolarHBondContact O-N 3.45Å; V58-R61 PolarHBondContact O-N 3.11Å; V58-R61 VanDerWaalsContact O-N 3.09Å; V58-F62 HydrophobicContact CB-CB 4.15Å; V58-F62 HydrophobicContact CB-CD1 4.31Å; V58-F62 HydrophobicContact CB-CD2 3.51Å; V58-F62 HydrophobicContact CB-CE2 3.86Å; V58-F62 HydrophobicContact CB-CG 3.75Å; V58-F62 HydrophobicContact CB-CZ 4.37Å; V58-F62 HydrophobicContact CG1-CD2 3.59Å; V58-F62 HydrophobicContact CG1-CE2 3.4Å; V58-F62 HydrophobicContact CG1-CG 4.25Å; V58-F62 HydrophobicContact CG1-CZ 3.91Å; V58-F62 HydrophobicContact CG2-CB 4.37Å; V58-F62 HydrophobicContact CG2-CD2 4.04Å; V58-F62 HydrophobicContact CG2-CG 4.39Å; V58-F62 PolarHBondContact O-N 2.93Å
59	K	94.2	Very high	95.4	Very high	116 Å²	116	64.1 Å²	64.1	50%	0.504	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	141.4	177.6	-163.9	175	-177.5	179.4	0	110.4	A55 R61	A55-K59 PolarHBondContact O-N 2.83Å; K59-R61 PolarHBondContact O-N 3.33Å
60	D	94.9	Very high	95.4	Very high	154 Å²	154	62.7 Å²	62.7	82%	0.824	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	-3.2	-177.1	-48	-42.1	0	0	0	115.9
61	R	96.5	Very high	95.3	Very high	25 Å²	25	61.5 Å²	61.5	9%	0.094	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-39.5	177.1	-60	-168.1	-57.6	118.2	0.3	111.9	S57 V58 K59 N78 N79 D84	S57-R61 PolarHBondContact O-NH2 3.3Å; V58-R61 PolarHBondContact O-N 3.11Å; V58-R61 VanDerWaalsContact O-N 3.09Å; K59-R61 PolarHBondContact O-N 3.33Å; R61-N78 WeakPolarHBondContact CB-O 3.23Å; R61-N78 WeakPolarHBondContact O-CB 3.2Å; R61-N78 PolarHBondContact O-N 2.79Å; R61-N79 PolarHBondContact NH1-O 2.98Å; R61-D84 IonicContact CZ-OD1 3.14Å; R61-D84 IonicContact CZ-OD2 3.66Å; R61-D84 IonicContact NH1-OD1 3.95Å; R61-D84 IonicContact NH1-OD2 2.65Å; R61-D84 PolarHBondContact NH1-OD2 3Å; R61-D84 IonicContact NH2-OD1 2.66Å; R61-D84 PolarHBondContact NH2-OD1 3.13Å; R61-D84 IonicContact NH2-OD2 2.98Å; R61-D84 PolarHBondContact NH2-OD2 3.17Å; R61-D84 VanDerWaalsContact NH2-OD2 3.14Å
62	F	97	Very high	95.3	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.018	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	148.2	-175.4	-64.5	8.3	0	0	0	110.8	V40 Y54 V58 L75 Q76 M77 L80 D84 Y88	V40-F62 HydrophobicContact CG1-CD2 3.84Å; V40-F62 HydrophobicContact CG1-CE2 4.22Å; Y54-F62 VanDerWaalsContact CE1-O 3.23Å; Y54-F62 WeakPolarHBondContact CE1-O 3.47Å; V58-F62 HydrophobicContact CB-CB 4.15Å; V58-F62 HydrophobicContact CB-CD1 4.31Å; V58-F62 HydrophobicContact CB-CD2 3.51Å; V58-F62 HydrophobicContact CB-CE2 3.86Å; V58-F62 HydrophobicContact CB-CG 3.75Å; V58-F62 HydrophobicContact CB-CZ 4.37Å; V58-F62 HydrophobicContact CG1-CD2 3.59Å; V58-F62 HydrophobicContact CG1-CE2 3.4Å; V58-F62 HydrophobicContact CG1-CG 4.25Å; V58-F62 HydrophobicContact CG1-CZ 3.91Å; V58-F62 HydrophobicContact CG2-CB 4.37Å; V58-F62 HydrophobicContact CG2-CD2 4.04Å; V58-F62 HydrophobicContact CG2-CG 4.39Å; V58-F62 PolarHBondContact O-N 2.93Å; F62-L75 HydrophobicContact CB-CD1 4.21Å; F62-L75 HydrophobicContact CD2-CD2 4.1Å; F62-L75 HydrophobicContact CD2-CG 4.45Å; F62-Q76 CarbonylContact C-O 3.5Å; F62-Q76 WeakPolarHBondContact CA-O 3.36Å; F62-M77 HydrophobicContact CD1-CB 3.81Å; F62-M77 HydrophobicContact CD1-CG 4.14Å; F62-M77 HydrophobicContact CD2-CE 4.34Å; F62-M77 HydrophobicContact CD2-CG 4.05Å; F62-M77 HydrophobicContact CE1-CB 3.72Å; F62-M77 HydrophobicContact CE1-CE 4.18Å; F62-M77 HydrophobicContact CE1-CG 4.16Å; F62-M77 HydrophobicContact CE2-CB 4.49Å; F62-M77 HydrophobicContact CE2-CE 3.43Å; F62-M77 VanDerWaalsContact CE2-CE 3.43Å; F62-M77 HydrophobicContact CE2-CG 4.03Å; F62-M77 HydrophobicContact CG-CB 4.29Å; F62-M77 HydrophobicContact CG-CG 4.13Å; F62-M77 HydrophobicContact CZ-CB 4.09Å; F62-M77 HydrophobicContact CZ-CE 3.36Å; F62-M77 HydrophobicContact CZ-CG 4.11Å; F62-L80 HydrophobicContact CE1-CD2 4.17Å; F62-L80 HydrophobicContact CZ-CD2 4.16Å; F62-D84 HydrophobicContact CZ-CB 4.13Å; F62-Y88 HydrophobicContact CE2-CE1 4.37Å
63	T	97.9	Very high	95.3	Very high	69 Å²	69	58.6 Å²	58.6	42%	0.423	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	120.7	176.3	-52.2	0	0	0	0	109.2	Q76	T63-Q76 PolarHBondContact N-O 2.92Å; T63-Q76 PolarHBondContact O-N 2.84Å
64	I	97.6	Very high	95.3	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	137.1	174.7	-170.1	173.1	0	0	0	109	A41 I43 T52 Y54 L73 L75	A41-I64 HydrophobicContact CB-CB 3.99Å; A41-I64 HydrophobicContact CB-CD1 4.11Å; A41-I64 HydrophobicContact CB-CG2 4.11Å; I43-I64 HydrophobicContact CB-CD1 4.03Å; I43-I64 HydrophobicContact CB-CG1 4.2Å; I43-I64 HydrophobicContact CB-CG2 4.09Å; I43-I64 HydrophobicContact CG2-CD1 3.74Å; I43-I64 HydrophobicContact CG2-CG1 4.01Å; T52-I64 HydrophobicContact CG2-CG2 3.74Å; Y54-I64 HydrophobicContact CE1-CB 4.27Å; Y54-I64 HydrophobicContact CE1-CG2 3.84Å; Y54-I64 PolarHBondContact OH-N 2.89Å; Y54-I64 VanDerWaalsContact OH-N 3.14Å; I64-L73 HydrophobicContact CD1-CD1 4.11Å; I64-L73 HydrophobicContact CG1-CD1 4.11Å; I64-L75 HydrophobicContact CB-CD1 4.22Å
65	S	97.1	Very high	95.3	Very high	48 Å²	48	52.8 Å²	52.8	34%	0.336	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	165.1	174.2	62.7	0	0	0	0	110.7	Y74	S65-Y74 PolarHBondContact N-O 3.16Å; S65-Y74 VanDerWaalsContact N-O 3.09Å; S65-Y74 PolarHBondContact O-N 2.9Å
66	R	95.3	Very high	95.4	Very high	31 Å²	31	54.8 Å²	54.8	12%	0.117	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	150.2	-178.5	65.9	-171.3	-75.7	160.5	9.9	111.1	F21 Y24 I43 R44 Y50 D68 M72 L73	F21-R66 VanDerWaalsContact C-NH2 3.34Å; F21-R66 HydrophobicContact CE1-CB 4.08Å; F21-R66 VanDerWaalsContact CE1-NH2 3.25Å; F21-R66 HydrophobicContact CZ-CB 4.05Å; F21-R66 PolarHBondContact O-NH2 2.78Å; Y24-R66 PolarHBondContact O-NH1 3.47Å; I43-R66 HydrophobicContact CD1-CB 4.34Å; I43-R66 HydrophobicContact CD1-CG 3.72Å; I43-R66 HydrophobicContact CG1-CG 4.37Å; I43-R66 HydrophobicContact CG2-CB 4.46Å; R44-R66 PolarHBondContact O-NH1 3.06Å; Y50-R66 HydrophobicContact CD1-CG 4.31Å; Y50-R66 HydrophobicContact CE1-CG 4.35Å; R66-D68 IonicContact CZ-OD1 4Å; R66-D68 IonicContact NE-OD1 3.35Å; R66-D68 PolarHBondContact NE-OD1 2.81Å; R66-D68 IonicContact NE-OD2 3.67Å; R66-D68 IonicContact NH2-OD1 3.06Å; R66-D68 PolarHBondContact NH2-OD1 2.79Å; R66-M72 CarbonylContact C-O 3.56Å; R66-M72 VanDerWaalsContact CA-O 3.27Å; R66-M72 WeakPolarHBondContact CA-O 3.4Å; R66-L73 HydrophobicContact CB-CD1 4.19Å
67	D	94.8	Very high	95.4	Very high	44 Å²	44	48 Å²	48	24%	0.235	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	106.7	168.9	-176.1	-16.4	0	0	0	108.7	S69 Q70 N71 M72 Y74	D67-S69 VanDerWaalsContact C-N 3.27Å; D67-S69 PolarHBondContact O-N 3.41Å; D67-S69 WeakPolarHBondContact OD1-CA 3.41Å; D67-S69 WeakPolarHBondContact OD1-CB 2.99Å; D67-S69 PolarHBondContact OD1-N 3.38Å; D67-S69 PolarHBondContact OD1-OG 3.2Å; D67-Q70 HydrophobicContact CB-CB 4.38Å; D67-Q70 PolarHBondContact O-N 2.89Å; D67-Q70 PolarHBondContact OD1-N 3.08Å; D67-Q70 VanDerWaalsContact OD2-CD 3.31Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.39Å; D67-N71 WeakPolarHBondContact O-CA 3.4Å; D67-N71 PolarHBondContact O-N 2.92Å; D67-M72 HydrophobicContact CB-CB 4.37Å; D67-M72 PolarHBondContact N-O 2.89Å; D67-M72 PolarHBondContact O-N 3.08Å; D67-Y74 HydrophobicContact CB-CE2 4.04Å
68	D	93.3	Very high	95.4	Very high	36 Å²	36	47.5 Å²	47.5	19%	0.193	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-20.1	-179	-69.8	-25.3	0	0	0	113	F21 N22 Y50 R66	F21-D68 VanDerWaalsContact CD1-OD1 3.3Å; F21-D68 WeakPolarHBondContact CD1-OD1 3.44Å; F21-D68 VanDerWaalsContact CE1-OD1 3.28Å; F21-D68 WeakPolarHBondContact CE1-OD1 3.32Å; N22-D68 HydrophobicContact CB-CB 4.19Å; Y50-D68 WeakPolarHBondContact CE1-OD2 3.37Å; Y50-D68 PolarHBondContact OH-OD2 2.88Å; R66-D68 IonicContact CZ-OD1 4Å; R66-D68 IonicContact NE-OD1 3.35Å; R66-D68 PolarHBondContact NE-OD1 2.81Å; R66-D68 IonicContact NE-OD2 3.67Å; R66-D68 IonicContact NH2-OD1 3.06Å; R66-D68 PolarHBondContact NH2-OD1 2.79Å
69	S	92.6	Very high	95.3	Very high	104 Å²	104	52.4 Å²	52.4	73%	0.727	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-28.3	177.3	73.4	0	0	0	0	112.1	D67	D67-S69 VanDerWaalsContact C-N 3.27Å; D67-S69 PolarHBondContact O-N 3.41Å; D67-S69 WeakPolarHBondContact OD1-CA 3.41Å; D67-S69 WeakPolarHBondContact OD1-CB 2.99Å; D67-S69 PolarHBondContact OD1-N 3.38Å; D67-S69 PolarHBondContact OD1-OG 3.2Å
70	Q	92.9	Very high	95.2	Very high	117 Å²	117	47.9 Å²	47.9	55%	0.547	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-2.1	-179.3	-59.6	-175	4.7	0	0	113.1	D67 M72	D67-Q70 HydrophobicContact CB-CB 4.38Å; D67-Q70 PolarHBondContact O-N 2.89Å; D67-Q70 PolarHBondContact OD1-N 3.08Å; D67-Q70 VanDerWaalsContact OD2-CD 3.31Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.39Å; Q70-M72 HydrophobicContact CB-CB 4.27Å; Q70-M72 HydrophobicContact CB-CG 3.63Å; Q70-M72 WeakPolarHBondContact O-CG 3.15Å; Q70-M72 PolarHBondContact O-N 3.31Å
71	N	92.4	Very high	95.1	Very high	63 Å²	63	45.5 Å²	45.5	34%	0.337	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	39.5	-170.2	-57.8	-41	0	0	0	112.6	A16 F21 D67	A16-N71 HydrophobicContact CB-CB 4.33Å; A16-N71 PolarHBondContact N-O 3.11Å; A16-N71 WeakPolarHBondContact O-CB 3.33Å; F21-N71 HydrophobicContact CB-CB 4.11Å; F21-N71 VanDerWaalsContact CB-OD1 3.29Å; F21-N71 WeakPolarHBondContact CB-OD1 3.37Å; F21-N71 HydrophobicContact CD1-CB 4.43Å; F21-N71 HydrophobicContact CG-CB 4.19Å; D67-N71 WeakPolarHBondContact O-CA 3.4Å; D67-N71 PolarHBondContact O-N 2.92Å
72	M	94.8	Very high	94.7	Very high	31 Å²	31	49.4 Å²	49.4	15%	0.153	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135.9	-175.4	-67.3	-64.8	-66.2	0	0	111.5	C14 A15 F21 R66 D67 Q70 Y74	C14-M72 WeakPolarHBondContact O-CA 3.38Å; A15-M72 VanDerWaalsContact CA-SD 3.5Å; A15-M72 HydrophobicContact CB-CE 4.49Å; A15-M72 HydrophobicContact CB-SD 3.55Å; A15-M72 VanDerWaalsContact CB-SD 3.55Å; F21-M72 WeakPolarHBondContact CZ-O 3.39Å; R66-M72 CarbonylContact C-O 3.56Å; R66-M72 VanDerWaalsContact CA-O 3.27Å; R66-M72 WeakPolarHBondContact CA-O 3.4Å; D67-M72 HydrophobicContact CB-CB 4.37Å; D67-M72 PolarHBondContact N-O 2.89Å; D67-M72 PolarHBondContact O-N 3.08Å; Q70-M72 HydrophobicContact CB-CB 4.27Å; Q70-M72 HydrophobicContact CB-CG 3.63Å; Q70-M72 WeakPolarHBondContact O-CG 3.15Å; Q70-M72 PolarHBondContact O-N 3.31Å; M72-Y74 HydrophobicContact CB-CE1 4.14Å; M72-Y74 HydrophobicContact CB-CE2 3.69Å; M72-Y74 VanDerWaalsContact CB-CZ 3.44Å; M72-Y74 VanDerWaalsContact CB-OH 3.25Å; M72-Y74 WeakPolarHBondContact CB-OH 3.48Å; M72-Y74 HydrophobicContact CE-CE1 4Å
73	L	95.9	Very high	94.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.4	168.4	-172.2	71.1	0	0	0	109.3	S13 C14 F21 M26 W28 I43 I64 R66 C90	S13-L73 CarbonylContact C-O 3.46Å; S13-L73 WeakPolarHBondContact CA-O 3.45Å; C14-L73 HydrophobicContact CB-CB 4.39Å; C14-L73 PolarHBondContact N-O 3.4Å; C14-L73 PolarHBondContact O-N 2.99Å; F21-L73 HydrophobicContact CZ-CB 4.37Å; M26-L73 HydrophobicContact CB-CD1 3.63Å; M26-L73 HydrophobicContact CB-CD2 3.91Å; M26-L73 HydrophobicContact CB-CG 4.35Å; M26-L73 HydrophobicContact CG-CD1 4.37Å; W28-L73 HydrophobicContact CD2-CD2 4.37Å; W28-L73 HydrophobicContact CG-CD2 4.4Å; W28-L73 HydrophobicContact CZ2-CD2 4.29Å; W28-L73 HydrophobicContact CZ2-CG 4.39Å; I43-L73 HydrophobicContact CG2-CD1 3.66Å; I64-L73 HydrophobicContact CD1-CD1 4.11Å; I64-L73 HydrophobicContact CG1-CD1 4.11Å; R66-L73 HydrophobicContact CB-CD1 4.19Å; L73-C90 HydrophobicContact CD2-CB 3.92Å
74	Y	96.9	Very high	94.1	Very high	38 Å²	38	53.5 Å²	53.5	15%	0.149	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	150	179.1	-53.5	-76.5	0	0	0	111.7	L12 W28 S65 D67 M72	L12-Y74 VanDerWaalsContact O-CA 3.25Å; L12-Y74 WeakPolarHBondContact O-CA 3.49Å; W28-Y74 PolarHBondContact NE1-O 2.9Å; S65-Y74 PolarHBondContact N-O 3.16Å; S65-Y74 VanDerWaalsContact N-O 3.09Å; S65-Y74 PolarHBondContact O-N 2.9Å; D67-Y74 HydrophobicContact CB-CE2 4.04Å; M72-Y74 HydrophobicContact CB-CE1 4.14Å; M72-Y74 HydrophobicContact CB-CE2 3.69Å; M72-Y74 VanDerWaalsContact CB-CZ 3.44Å; M72-Y74 VanDerWaalsContact CB-OH 3.25Å; M72-Y74 WeakPolarHBondContact CB-OH 3.48Å; M72-Y74 HydrophobicContact CE-CE1 4Å
75	L	97.3	Very high	93.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	105.7	167	-169.8	66.5	0	0	0	108.7	K11 L12 W28 V40 A41 F62 I64 M77 Y88	K11-L75 WeakPolarHBondContact CA-O 3.48Å; L12-L75 HydrophobicContact CB-CB 4.23Å; L12-L75 HydrophobicContact CD1-CD2 4.38Å; L12-L75 PolarHBondContact N-O 2.8Å; L12-L75 PolarHBondContact O-N 3.14Å; W28-L75 HydrophobicContact CB-CD2 4.22Å; W28-L75 HydrophobicContact CD2-CB 4.15Å; W28-L75 HydrophobicContact CD2-CD2 4.3Å; W28-L75 HydrophobicContact CG-CB 4.18Å; W28-L75 HydrophobicContact CG-CD1 4.39Å; W28-L75 HydrophobicContact CG-CD2 4.02Å; W28-L75 HydrophobicContact CG-CG 4.44Å; W28-L75 HydrophobicContact CZ2-CB 4.29Å; V40-L75 HydrophobicContact CG1-CD2 4.12Å; A41-L75 HydrophobicContact CB-CD1 4.29Å; F62-L75 HydrophobicContact CB-CD1 4.21Å; F62-L75 HydrophobicContact CD2-CD2 4.1Å; F62-L75 HydrophobicContact CD2-CG 4.45Å; I64-L75 HydrophobicContact CB-CD1 4.22Å; L75-M77 HydrophobicContact CD2-CG 3.91Å; L75-M77 HydrophobicContact CD2-SD 4.18Å; L75-M77 HydrophobicContact CG-CG 3.86Å; L75-Y88 HydrophobicContact CD2-CD1 4.08Å; L75-Y88 HydrophobicContact CD2-CE1 4.22Å
76	Q	97	Very high	93.6	Very high	57 Å²	57	56.8 Å²	56.8	27%	0.266	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	122	167.2	-177.3	63	38.8	0	0	108	F62 T63 N78	F62-Q76 CarbonylContact C-O 3.5Å; F62-Q76 WeakPolarHBondContact CA-O 3.36Å; T63-Q76 PolarHBondContact N-O 2.92Å; T63-Q76 PolarHBondContact O-N 2.84Å; Q76-N78 PolarHBondContact NE2-OD1 2.76Å
77	M	95.5	Very high	93.5	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.02	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	108.5	-179.7	-55.5	168.6	76.9	0	0	107.9	S9 L10 L12 F62 L75 L80 Y88	S9-M77 CarbonylContact C-O 3.49Å; S9-M77 WeakPolarHBondContact CA-O 3.28Å; L10-M77 PolarHBondContact N-O 2.88Å; L10-M77 WeakPolarHBondContact O-CA 3.44Å; L10-M77 WeakPolarHBondContact O-CB 3.08Å; L10-M77 PolarHBondContact O-N 2.95Å; L12-M77 HydrophobicContact CD1-SD 3.67Å; L12-M77 HydrophobicContact CG-SD 3.83Å; F62-M77 HydrophobicContact CD1-CB 3.81Å; F62-M77 HydrophobicContact CD1-CG 4.14Å; F62-M77 HydrophobicContact CD2-CE 4.34Å; F62-M77 HydrophobicContact CD2-CG 4.05Å; F62-M77 HydrophobicContact CE1-CB 3.72Å; F62-M77 HydrophobicContact CE1-CE 4.18Å; F62-M77 HydrophobicContact CE1-CG 4.16Å; F62-M77 HydrophobicContact CE2-CB 4.49Å; F62-M77 HydrophobicContact CE2-CE 3.43Å; F62-M77 VanDerWaalsContact CE2-CE 3.43Å; F62-M77 HydrophobicContact CE2-CG 4.03Å; F62-M77 HydrophobicContact CG-CB 4.29Å; F62-M77 HydrophobicContact CG-CG 4.13Å; F62-M77 HydrophobicContact CZ-CB 4.09Å; F62-M77 HydrophobicContact CZ-CE 3.36Å; F62-M77 HydrophobicContact CZ-CG 4.11Å; L75-M77 HydrophobicContact CD2-CG 3.91Å; L75-M77 HydrophobicContact CD2-SD 4.18Å; L75-M77 HydrophobicContact CG-CG 3.86Å; M77-L80 HydrophobicContact CB-CD2 3.77Å; M77-L80 HydrophobicContact CB-CG 4.38Å; M77-L80 HydrophobicContact CE-CD2 3.56Å; M77-L80 HydrophobicContact SD-CD2 4.35Å; M77-Y88 HydrophobicContact CE-CE1 3.74Å; M77-Y88 HydrophobicContact CE-CE2 3.8Å; M77-Y88 VanDerWaalsContact CE-OH 3.29Å; M77-Y88 WeakPolarHBondContact CE-OH 2.89Å
78	N	94.3	Very high	93.4	Very high	52 Å²	52	59 Å²	59	28%	0.278	31%	0.312	S	S	.	.			trans	-104.7	158.8	176.2	-57.1	-47.9	0	0	0	110.4	S9 R61 Q76 L80	S9-N78 WeakPolarHBondContact CB-OD1 3.34Å; S9-N78 PolarHBondContact OG-OD1 2.65Å; R61-N78 WeakPolarHBondContact CB-O 3.23Å; R61-N78 WeakPolarHBondContact O-CB 3.2Å; R61-N78 PolarHBondContact O-N 2.79Å; Q76-N78 PolarHBondContact NE2-OD1 2.76Å; N78-L80 VanDerWaalsContact C-N 3.31Å; N78-L80 PolarHBondContact O-N 2.94Å
79	N	92.8	Very high	93.3	Very high	102 Å²	102	59.5 Å²	59.5	55%	0.545	31%	0.312	S	S	.	.	S	Bend	trans	50.7	51.4	176.8	-61	-25.5	0	0	0	111.9	R61 K81	R61-N79 PolarHBondContact NH1-O 2.98Å; N79-K81 PolarHBondContact O-N 3.39Å
80	L	92.5	Very high	93.2	Very high	21 Å²	21	54.5 Å²	54.5	11%	0.11	28%	0.277	C	S	.	.			trans	-58.3	135.9	-178.1	-75.8	170	0	0	0	111.5	V4 K7 G8 L10 F62 M77 N78 D84	V4-L80 HydrophobicContact CB-CD1 4.16Å; V4-L80 HydrophobicContact CG1-CD1 4.05Å; K7-L80 PolarHBondContact N-O 3.42Å; G8-L80 WeakPolarHBondContact O-CG 3.04Å; G8-L80 PolarHBondContact O-N 3.29Å; L10-L80 HydrophobicContact CB-CD1 3.94Å; F62-L80 HydrophobicContact CE1-CD2 4.17Å; F62-L80 HydrophobicContact CZ-CD2 4.16Å; M77-L80 HydrophobicContact CB-CD2 3.77Å; M77-L80 HydrophobicContact CB-CG 4.38Å; M77-L80 HydrophobicContact CE-CD2 3.56Å; M77-L80 HydrophobicContact SD-CD2 4.35Å; N78-L80 VanDerWaalsContact C-N 3.31Å; N78-L80 PolarHBondContact O-N 2.94Å; L80-D84 HydrophobicContact CD2-CB 4.13Å
81	K	92.6	Very high	93	Very high	105 Å²	105	49 Å²	49	46%	0.457	25%	0.251	S	S	.	.			trans	-107.9	159.8	173.7	-60.3	177.3	-178.5	-179	0	109.4	N79 E83 D84	N79-K81 PolarHBondContact O-N 3.39Å; K81-E83 PolarHBondContact O-N 2.74Å; K81-D84 WeakPolarHBondContact CB-OD2 3.47Å; K81-D84 PolarHBondContact N-OD2 3.27Å; K81-D84 WeakPolarHBondContact O-CB 3.29Å; K81-D84 PolarHBondContact O-N 3.15Å
82	T	88.9	Confident	92.7	Very high	106 Å²	106	46.9 Å²	46.9	65%	0.65	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-57.6	-32.5	173.4	-48.8	0	0	0	0	111.9	D84 T85	T82-D84 PolarHBondContact O-N 2.02Å; T82-T85 WeakPolarHBondContact O-CB 3.33Å; T82-T85 PolarHBondContact O-N 3.38Å; T82-T85 VanDerWaalsContact O-N 3.17Å; T82-T85 PolarHBondContact O-OG1 3.31Å; T82-T85 VanDerWaalsContact O-OG1 3.14Å
83	E	90.4	Very high	91.6	Very high	153 Å²	153	46.5 Å²	46.5	72%	0.715	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-65.3	-17.7	175.8	-63.8	166.2	-140.4	0	0	113.7	K81 T85	K81-E83 PolarHBondContact O-N 2.74Å; E83-T85 VanDerWaalsContact C-N 3.28Å
84	D	92.2	Very high	90	Very high	7 Å²	7	50 Å²	50	4%	0.037	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-84.8	-3.7	177.7	-57.4	-50	0	0	0	112.8	R30 R61 F62 L80 K81 T82 A86 Y88	R30-D84 IonicContact NH1-OD1 3.35Å; R30-D84 PolarHBondContact NH1-OD1 3.47Å; R61-D84 IonicContact CZ-OD1 3.14Å; R61-D84 IonicContact CZ-OD2 3.66Å; R61-D84 IonicContact NH1-OD1 3.95Å; R61-D84 IonicContact NH1-OD2 2.65Å; R61-D84 PolarHBondContact NH1-OD2 3Å; R61-D84 IonicContact NH2-OD1 2.66Å; R61-D84 PolarHBondContact NH2-OD1 3.13Å; R61-D84 IonicContact NH2-OD2 2.98Å; R61-D84 PolarHBondContact NH2-OD2 3.17Å; R61-D84 VanDerWaalsContact NH2-OD2 3.14Å; F62-D84 HydrophobicContact CZ-CB 4.13Å; L80-D84 HydrophobicContact CD2-CB 4.13Å; K81-D84 WeakPolarHBondContact CB-OD2 3.47Å; K81-D84 PolarHBondContact N-OD2 3.27Å; K81-D84 WeakPolarHBondContact O-CB 3.29Å; K81-D84 PolarHBondContact O-N 3.15Å; T82-D84 PolarHBondContact O-N 2.02Å; D84-A86 PolarHBondContact O-N 2.75Å; D84-Y88 VanDerWaalsContact O-CE2 3.3Å; D84-Y88 WeakPolarHBondContact O-CE2 3.25Å; D84-Y88 PolarHBondContact O-OH 2.82Å
85	T	91.5	Very high	87.8	Confident	101 Å²	101	50.7 Å²	50.7	62%	0.62	27%	0.271	S	S	*	.			trans	-68.4	103.1	175.4	-58.1	0	0	0	0	110.3	T82 E83	T82-T85 WeakPolarHBondContact O-CB 3.33Å; T82-T85 PolarHBondContact O-N 3.38Å; T82-T85 VanDerWaalsContact O-N 3.17Å; T82-T85 PolarHBondContact O-OG1 3.31Å; T82-T85 VanDerWaalsContact O-OG1 3.14Å; E83-T85 VanDerWaalsContact C-N 3.28Å
86	A	92.3	Very high	85.5	Confident	21 Å²	21	53 Å²	53	17%	0.174	29%	0.287	C	S	.	.	S	Bend	trans	-157.6	165.9	-177.9	0	0	0	0	0	109.7	R30 Q31 A32 D84 Y88	R30-A86 HydrophobicContact CB-CB 3.86Å; R30-A86 HydrophobicContact CG-CB 4.13Å; Q31-A86 WeakPolarHBondContact O-CB 3.04Å; A32-A86 HydrophobicContact CB-CB 4.29Å; D84-A86 PolarHBondContact O-N 2.75Å; A86-Y88 HydrophobicContact CB-CE2 4.01Å; A86-Y88 VanDerWaalsContact O-CD2 3.27Å; A86-Y88 WeakPolarHBondContact O-CD2 2.74Å; A86-Y88 WeakPolarHBondContact O-CE2 2.9Å
87	M	92	Very high	83	Confident	103 Å²	103	56.8 Å²	56.8	51%	0.507	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	131.2	163	-66.8	-58.6	-64.4	0	0	108.8	R30 Q31 Y89	R30-M87 CarbonylContact C-O 3.59Å; R30-M87 WeakPolarHBondContact CA-O 3.27Å; Q31-M87 PolarHBondContact N-O 3.31Å; Q31-M87 PolarHBondContact O-N 3.14Å; M87-Y89 HydrophobicContact CB-CE2 3.65Å; M87-Y89 WeakPolarHBondContact CB-OH 3.34Å
88	Y	93	Very high	80.7	Confident	17 Å²	17	64.1 Å²	64.1	7%	0.067	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	139.3	179.3	-73.4	-102.1	0	0	0	109.9	L12 V29 R30 V40 F62 L75 M77 D84 A86 G109	L12-Y88 HydrophobicContact CD1-CD1 3.98Å; L12-Y88 HydrophobicContact CD1-CD2 4.01Å; L12-Y88 HydrophobicContact CD1-CG 3.56Å; V29-Y88 CarbonylContact O-C 3.53Å; V29-Y88 WeakPolarHBondContact O-CA 3.49Å; R30-Y88 HydrophobicContact CB-CD1 3.76Å; R30-Y88 HydrophobicContact CB-CD2 4.39Å; R30-Y88 HydrophobicContact CB-CE1 3.69Å; R30-Y88 HydrophobicContact CB-CE2 4.31Å; R30-Y88 HydrophobicContact CB-CG 4.11Å; R30-Y88 WeakPolarHBondContact CD-OH 3.38Å; R30-Y88 HydrophobicContact CG-CE1 4.33Å; R30-Y88 PolarHBondContact NH1-OH 2.91Å; V40-Y88 HydrophobicContact CG1-CE1 4.41Å; V40-Y88 HydrophobicContact CG2-CD1 4.42Å; V40-Y88 HydrophobicContact CG2-CE1 4.07Å; F62-Y88 HydrophobicContact CE2-CE1 4.37Å; L75-Y88 HydrophobicContact CD2-CD1 4.08Å; L75-Y88 HydrophobicContact CD2-CE1 4.22Å; M77-Y88 HydrophobicContact CE-CE1 3.74Å; M77-Y88 HydrophobicContact CE-CE2 3.8Å; M77-Y88 VanDerWaalsContact CE-OH 3.29Å; M77-Y88 WeakPolarHBondContact CE-OH 2.89Å; D84-Y88 VanDerWaalsContact O-CE2 3.3Å; D84-Y88 WeakPolarHBondContact O-CE2 3.25Å; D84-Y88 PolarHBondContact O-OH 2.82Å; A86-Y88 HydrophobicContact CB-CE2 4.01Å; A86-Y88 VanDerWaalsContact O-CD2 3.27Å; A86-Y88 WeakPolarHBondContact O-CD2 2.74Å; A86-Y88 WeakPolarHBondContact O-CE2 2.9Å; Y88-G109 PolarHBondContact O-N 3.45Å
89	Y	91	Very high	78.5	Confident	47 Å²	47	66.9 Å²	66.9	18%	0.184	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139.7	-178.4	-53.1	-87.9	0	0	0	110.3	W28 V29 Q31 L37 M87 V105 G107 A108	W28-Y89 WeakPolarHBondContact CA-O 3.29Å; V29-Y89 HydrophobicContact CG2-CD2 4.32Å; V29-Y89 PolarHBondContact N-O 2.83Å; V29-Y89 PolarHBondContact O-N 2.75Å; Q31-Y89 HydrophobicContact CB-CE2 4.02Å; L37-Y89 HydrophobicContact CD2-CD2 4.22Å; L37-Y89 HydrophobicContact CD2-CE2 4.43Å; M87-Y89 HydrophobicContact CB-CE2 3.65Å; M87-Y89 WeakPolarHBondContact CB-OH 3.34Å; Y89-V105 HydrophobicContact CD1-CG1 3.97Å; Y89-V105 HydrophobicContact CG-CG1 4.23Å; Y89-G107 WeakPolarHBondContact CA-O 3.38Å; Y89-A108 HydrophobicContact CD1-CB 4.22Å; Y89-A108 HydrophobicContact CE1-CB 4.15Å
90	C	91.1	Very high	76.4	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.8	168.7	51.6	0	0	0	0	109.6	C14 N27 W28 L73 W106 G107	C14-C90 HydrophobicContact CB-CB 3.45Å; C14-C90 VanDerWaalsContact CB-CB 3.45Å; C14-C90 WeakPolarHBondContact CB-SG 3.28Å; C14-C90 WeakPolarHBondContact SG-CB 3.35Å; C14-C90 CovalentContact SG-SG 2.02Å; C14-C90 PolarHBondContact SG-SG 2.97Å; N27-C90 WeakPolarHBondContact O-CA 3.43Å; W28-C90 HydrophobicContact CH2-CB 4.41Å; W28-C90 HydrophobicContact CZ3-CB 4.35Å; L73-C90 HydrophobicContact CD2-CB 3.92Å; C90-W106 PolarHBondContact O-N 3.34Å; C90-W106 VanDerWaalsContact O-N 3.11Å; C90-G107 PolarHBondContact N-O 2.83Å; C90-G107 VanDerWaalsContact N-O 3.16Å; C90-G107 PolarHBondContact SG-O 3.02Å
91	V	89.3	Confident	74.5	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.006	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	129.6	-175.1	-99.5	0	0	0	0	109.5	N27 V29 F103 D104 V105	N27-V91 HydrophobicContact CB-CG2 3.78Å; N27-V91 PolarHBondContact N-O 2.61Å; N27-V91 PolarHBondContact ND2-O 2.99Å; N27-V91 PolarHBondContact O-N 3.25Å; V29-V91 HydrophobicContact CB-CG2 4.12Å; V29-V91 HydrophobicContact CG1-CG2 3.52Å; V29-V91 HydrophobicContact CG2-CG1 4.38Å; V29-V91 HydrophobicContact CG2-CG2 3.7Å; V91-F103 HydrophobicContact CB-CB 4.34Å; V91-F103 HydrophobicContact CB-CD1 4.13Å; V91-F103 HydrophobicContact CG1-CB 3.9Å; V91-F103 HydrophobicContact CG2-CD1 4.31Å; V91-D104 WeakPolarHBondContact CA-O 3.25Å; V91-D104 WeakPolarHBondContact CG1-O 3.44Å; V91-V105 HydrophobicContact CG1-CB 4.21Å; V91-V105 HydrophobicContact CG1-CG2 3.68Å
92	R	85.8	Confident	72.6	Confident	18 Å²	18	75.6 Å²	75.6	7%	0.068	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	141.3	171.2	-176.8	175.8	61.5	144.1	-1	109.1	F19 Y24 M26 E94 D104	F19-R92 VanDerWaalsContact CE2-CD 3.4Å; F19-R92 HydrophobicContact CE2-CG 4.2Å; F19-R92 HydrophobicContact CZ-CB 4.39Å; F19-R92 HydrophobicContact CZ-CG 4.37Å; Y24-R92 HydrophobicContact CD1-CG 3.78Å; Y24-R92 VanDerWaalsContact CG-CD 3.47Å; Y24-R92 HydrophobicContact CG-CG 3.74Å; Y24-R92 PolarHBondContact OH-NH1 3Å; M26-R92 HydrophobicContact CE-CB 4.21Å; M26-R92 HydrophobicContact SD-CB 4.13Å; M26-R92 HydrophobicContact SD-CG 4.12Å; R92-E94 IonicContact CZ-OE1 3.15Å; R92-E94 IonicContact NE-OE1 2.75Å; R92-E94 IonicContact NH1-OE1 3.95Å; R92-E94 PolarHBondContact NH1-OE1 3.09Å; R92-E94 IonicContact NH2-OE1 2.75Å; R92-E94 PolarHBondContact NH2-OE1 2.98Å; R92-E94 IonicContact NH2-OE2 2.98Å; R92-D104 PolarHBondContact N-O 2.77Å; R92-D104 IonicContact NH2-OD2 3.92Å; R92-D104 PolarHBondContact O-N 3.09Å
93	H	72.1	Confident	71	Confident	24 Å²	24	75.2 Å²	75.2	11%	0.111	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	105.5	171.5	173.1	-68.8	0	0	0	109.6	A25 N27 W101	A25-H93 HydrophobicContact CB-CB 4.16Å; A25-H93 PolarHBondContact O-N 2.81Å; N27-H93 WeakPolarHBondContact ND2-CB 3.3Å; H93-W101 AromaticContact CE1-CE3 3.58Å; H93-W101 AromaticContact CE1-CZ3 3.37Å; H93-W101 WeakPolarHBondContact CE1-CZ3 3.48Å; H93-W101 AromaticContact NE2-CE3 3.07Å; H93-W101 AromaticContact NE2-CZ3 3.04Å; H93-W101 WeakPolarHBondContact NE2-CZ3 3.49Å
94	E	60.8	Low	69.5	Low	74 Å²	74	70.6 Å²	70.6	35%	0.346	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	120	164.7	-70	-164.5	150.5	0	0	108.8	Y24 R92	Y24-E94 HydrophobicContact CD1-CG 4.28Å; Y24-E94 HydrophobicContact CE1-CG 3.87Å; R92-E94 IonicContact CZ-OE1 3.15Å; R92-E94 IonicContact NE-OE1 2.75Å; R92-E94 IonicContact NH1-OE1 3.95Å; R92-E94 PolarHBondContact NH1-OE1 3.09Å; R92-E94 IonicContact NH2-OE1 2.75Å; R92-E94 PolarHBondContact NH2-OE1 2.98Å; R92-E94 IonicContact NH2-OE2 2.98Å
95	G	52.5	Low	68	Low	52 Å²	52	73.7 Å²	73.7	54%	0.536	40%	0.399	S	S	.	.			trans	-122.6	101.7	171.7	0	0	0	0	0	108.7
96	S	47.2	Very low	66.5	Low	48 Å²	48	73 Å²	73	34%	0.336	39%	0.385	S	S	.	.			trans	-98.3	138.3	157.3	151.6	0	0	0	0	107.5	L98 T99	S96-L98 PolarHBondContact O-N 3.15Å; S96-L98 WeakPolarHBondContact OG-CB 3.27Å; S96-L98 PolarHBondContact OG-N 3.1Å; S96-T99 WeakPolarHBondContact CB-OG1 3.46Å; S96-T99 PolarHBondContact O-N 3.09Å
97	P	46.4	Very low	65	Low	137 Å²	137	73.3 Å²	73.3	89%	0.89	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-11.5	173.8	23.5	-31.1	0	0	0	113.2
98	L	46.3	Very low	63.5	Low	157 Å²	157	71.1 Å²	71.1	82%	0.822	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-17.9	-175.8	-59.5	172.6	0	0	0	114.6	S96	S96-L98 PolarHBondContact O-N 3.15Å; S96-L98 WeakPolarHBondContact OG-CB 3.27Å; S96-L98 PolarHBondContact OG-N 3.1Å
99	T	48.7	Very low	61.9	Low	110 Å²	110	71 Å²	71	68%	0.675	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.9	-1.3	-165.5	59.2	0	0	0	0	115.9	S96	S96-T99 WeakPolarHBondContact CB-OG1 3.46Å; S96-T99 PolarHBondContact O-N 3.09Å
100	G	48.8	Very low	60.2	Low	44 Å²	44	73.3 Å²	73.3	45%	0.454	41%	0.411	S	S	.	.			trans	72.8	170.4	-178.6	0	0	0	0	0	113.7	Y102	G100-Y102 PolarHBondContact O-N 2.82Å
101	W	52.8	Low	58.7	Low	204 Å²	204	77 Å²	77	77%	0.773	43%	0.432	S	S	*	.			trans	-76.9	116.6	-172.2	-49.1	98.7	0	0	0	111	H93	H93-W101 AromaticContact CE1-CE3 3.58Å; H93-W101 AromaticContact CE1-CZ3 3.37Å; H93-W101 WeakPolarHBondContact CE1-CZ3 3.48Å; H93-W101 AromaticContact NE2-CE3 3.07Å; H93-W101 AromaticContact NE2-CZ3 3.04Å; H93-W101 WeakPolarHBondContact NE2-CZ3 3.49Å
102	Y	51.1	Low	57.1	Low	163 Å²	163	80.9 Å²	80.9	64%	0.639	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.2	174	-155.6	-98.3	0	0	0	110.7	G100	G100-Y102 PolarHBondContact O-N 2.82Å
103	F	55.4	Low	55.5	Low	98 Å²	98	84.4 Å²	84.4	43%	0.43	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	107.5	171.6	-70.8	-73.9	0	0	0	108.2	V91	V91-F103 HydrophobicContact CB-CB 4.34Å; V91-F103 HydrophobicContact CB-CD1 4.13Å; V91-F103 HydrophobicContact CG1-CB 3.9Å; V91-F103 HydrophobicContact CG2-CD1 4.31Å
104	D	59.1	Low	54.5	Low	56 Å²	56	88 Å²	88	30%	0.299	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	112.9	175.7	-169.9	13	0	0	0	109.1	V91 R92 W106	V91-D104 WeakPolarHBondContact CA-O 3.25Å; V91-D104 WeakPolarHBondContact CG1-O 3.44Å; R92-D104 PolarHBondContact N-O 2.77Å; R92-D104 IonicContact NH2-OD2 3.92Å; R92-D104 PolarHBondContact O-N 3.09Å; D104-W106 PolarHBondContact O-N 2.83Å; D104-W106 PolarHBondContact OD2-NE1 2.96Å
105	V	61.1	Low	54.1	Low	73 Å²	73	88.9 Å²	88.9	44%	0.442	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	104.9	-175.6	179.5	0	0	0	0	108.8	Y89 V91	Y89-V105 HydrophobicContact CD1-CG1 3.97Å; Y89-V105 HydrophobicContact CG-CG1 4.23Å; V91-V105 HydrophobicContact CG1-CB 4.21Å; V91-V105 HydrophobicContact CG1-CG2 3.68Å
106	W	60.4	Low	54.2	Low	86 Å²	86	91.3 Å²	91.3	33%	0.326	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-22.1	-170.7	-98.3	77.7	0	0	0	114.3	S17 F19 C90 D104	S17-W106 WeakPolarHBondContact O-CH2 3.32Å; S17-W106 WeakPolarHBondContact O-CZ3 3.47Å; F19-W106 HydrophobicContact CD1-CD2 4.32Å; F19-W106 AromaticContact CD1-CE2 3.81Å; F19-W106 HydrophobicContact CD1-CH2 4.23Å; F19-W106 AromaticContact CD1-CZ2 3.75Å; F19-W106 HydrophobicContact CD1-CZ2 3.75Å; F19-W106 AromaticContact CE1-CD2 3.84Å; F19-W106 HydrophobicContact CE1-CD2 3.84Å; F19-W106 AromaticContact CE1-CE2 3.75Å; F19-W106 HydrophobicContact CE1-CE3 4.3Å; F19-W106 HydrophobicContact CE1-CG 4.23Å; F19-W106 HydrophobicContact CE1-CZ2 4.13Å; C90-W106 PolarHBondContact O-N 3.34Å; C90-W106 VanDerWaalsContact O-N 3.11Å; D104-W106 PolarHBondContact O-N 2.83Å; D104-W106 PolarHBondContact OD2-NE1 2.96Å
107	G	60.1	Low	54.7	Low	27 Å²	27	94.4 Å²	94.4	28%	0.278	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	179.3	156.1	177.8	0	0	0	0	0	113.3	Y89 C90	Y89-G107 WeakPolarHBondContact CA-O 3.38Å; C90-G107 PolarHBondContact N-O 2.83Å; C90-G107 VanDerWaalsContact N-O 3.16Å; C90-G107 PolarHBondContact SG-O 3.02Å
108	A	60.7	Low	55.3	Low	57 Å²	57	91.2 Å²	91.2	47%	0.471	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	125.3	165.3	0	0	0	0	0	108.4	Y89 T110	Y89-A108 HydrophobicContact CD1-CB 4.22Å; Y89-A108 HydrophobicContact CE1-CB 4.15Å; A108-T110 PolarHBondContact O-N 3.43Å
109	G	58.7	Low	56.1	Low	14 Å²	14	85.7 Å²	85.7	14%	0.144	46%	0.46	C	S	.	.			trans	-62.5	134	173.6	0	0	0	0	0	110.5	Y88	Y88-G109 PolarHBondContact O-N 3.45Å
110	T	56.4	Low	56.8	Low	96 Å²	96	83.5 Å²	83.5	59%	0.589	44%	0.441	S	S	*	.			trans	-96.5	0	171	57	0	0	0	0	111.4	G1 L12 S13 A108	G1-T110 WeakPolarHBondContact CA-OXT 3.39Å; G1-T110 PolarHBondContact N-OXT 2.61Å; L12-T110 VanDerWaalsContact CA-O 3.27Å; L12-T110 WeakPolarHBondContact CA-O 3.36Å; S13-T110 PolarHBondContact N-O 3.33Å; S13-T110 PolarHBondContact O-N 2.84Å; A108-T110 PolarHBondContact O-N 3.43Å

Retrieved 110 of 110 residues in 27.1 ms (Link to these results)

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