X5J5H4_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5H4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 89 aa.

						>X5J5H4_MOUSE|X5J5H4
AELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGQGLEWIGMIHPNSGSTNYNEKFKSKATLTVDKSSSTAYMQLSSLTSEDSAVYYCA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	67.6	Low	88.6	Confident	159 Å²	159	99.9 Å²	99.9	100%	1.314	60%	0.6	S	S	*	*				0	135	0	0	0	0	0	0	107.6
2	E	77.8	Confident	89.3	Confident	124 Å²	124	95 Å²	95	58%	0.579	57%	0.568	S	S	*	*			trans	-110.9	125.2	-178.3	-163.1	175.8	162.7	0	0	108.8	V4 V10	E2-V4 HydrophobicContact CG-CG1 4.02Å; E2-V10 HydrophobicContact CG-CG2 4.46Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.47Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.32Å
3	L	85.4	Confident	90	Very high	177 Å²	177	94 Å²	94	93%	0.927	57%	0.569	S	S	*	*			trans	-105.3	119.2	176.1	-71.7	168.3	0	0	0	107.9
4	V	89.1	Confident	90.5	Very high	60 Å²	60	88.2 Å²	88.2	36%	0.364	53%	0.534	S	S	.	.			trans	-124.8	149.3	-175.5	-68.1	0	0	0	0	110.3	E2 A8 L78	E2-V4 HydrophobicContact CG-CG1 4.02Å; V4-A8 HydrophobicContact CB-CB 4.46Å; V4-L78 HydrophobicContact CB-CD1 4.37Å; V4-L78 HydrophobicContact CG2-CD1 3.39Å
5	K	89.4	Confident	91	Very high	174 Å²	174	92.7 Å²	92.7	76%	0.757	54%	0.544	S	S	*	.			trans	-69.2	147.5	177.1	-65.1	-179	-178.5	178.9	0	110	G7 A8	K5-G7 PolarHBondContact O-N 3.01Å; K5-A8 WeakPolarHBondContact O-CB 3.48Å; K5-A8 PolarHBondContact O-N 3.29Å; K5-A8 VanDerWaalsContact O-N 3.11Å
6	P	90.6	Very high	91.3	Very high	119 Å²	119	87.6 Å²	87.6	77%	0.773	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	141.1	169.3	-25.2	34.4	0	0	0	111.5	A8	P6-A8 PolarHBondContact O-N 3.26Å
7	G	91.8	Very high	91.5	Very high	52 Å²	52	88.4 Å²	88.4	54%	0.536	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-11.8	-176.8	0	0	0	0	0	115.1	K5 L78	K5-G7 PolarHBondContact O-N 3.01Å; G7-L78 PolarHBondContact N-O 3.29Å
8	A	94.6	Very high	91.7	Very high	36 Å²	36	88.4 Å²	88.4	30%	0.298	55%	0.549	S	S	.	.			trans	-70.4	169.6	174.4	0	0	0	0	0	111.7	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.46Å; K5-A8 WeakPolarHBondContact O-CB 3.48Å; K5-A8 PolarHBondContact O-N 3.29Å; K5-A8 VanDerWaalsContact O-N 3.11Å; P6-A8 PolarHBondContact O-N 3.26Å; A8-S77 PolarHBondContact O-N 2.9Å; A8-L78 WeakPolarHBondContact O-CB 3.34Å; A8-L78 VanDerWaalsContact O-CG 3.25Å; A8-L78 WeakPolarHBondContact O-CG 3.28Å; A8-L78 PolarHBondContact O-N 2.79Å
9	S	95.4	Very high	91.7	Very high	64 Å²	64	88.6 Å²	88.6	45%	0.448	54%	0.539	S	S	.	.			trans	-111.8	148.7	170.7	-56.5	0	0	0	0	110.2	L75 S76	S9-L75 CarbonylContact C-O 3.54Å; S9-L75 WeakPolarHBondContact CA-O 3.34Å; S9-L75 VanDerWaalsContact CB-O 3.29Å; S9-L75 WeakPolarHBondContact CB-O 3.29Å; S9-S76 WeakPolarHBondContact OG-CA 3.39Å; S9-S76 PolarHBondContact OG-OG 2.81Å
10	V	95.8	Very high	91.9	Very high	15 Å²	15	88.7 Å²	88.7	9%	0.091	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	146.2	174.7	68.5	0	0	0	0	110	E2 L12 Q74 L75 L78	E2-V10 HydrophobicContact CG-CG2 4.46Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.47Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.32Å; V10-L12 HydrophobicContact CG2-CD2 4.18Å; V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.31Å; V10-Q74 WeakPolarHBondContact O-CA 3.39Å; V10-L75 HydrophobicContact CG1-CB 4.03Å; V10-L75 HydrophobicContact CG1-CD1 4.34Å; V10-L75 PolarHBondContact N-O 2.99Å; V10-L75 PolarHBondContact O-N 3.05Å; V10-L78 HydrophobicContact CB-CD1 3.99Å; V10-L78 HydrophobicContact CG1-CD1 3.73Å; V10-L78 HydrophobicContact CG1-CD2 4.41Å
11	K	96.9	Very high	92.1	Very high	119 Å²	119	84.8 Å²	84.8	52%	0.517	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	108.7	174.5	-173.2	177.4	-179.2	179.3	0	109.9	Y72	K11-Y72 HydrophobicContact CD-CD1 4.38Å; K11-Y72 VanDerWaalsContact CE-CD1 3.46Å; K11-Y72 HydrophobicContact CG-CD1 4.34Å
12	L	97.3	Very high	93.5	Very high	41 Å²	41	79.4 Å²	79.4	22%	0.215	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	147.4	174.7	-56.9	178.2	0	0	0	109.9	V10 W28 Y72 M73 Y86	V10-L12 HydrophobicContact CG2-CD2 4.18Å; L12-W28 HydrophobicContact CB-CH2 4.17Å; L12-W28 HydrophobicContact CB-CZ3 4.01Å; L12-Y72 WeakPolarHBondContact O-CA 3.48Å; L12-Y72 WeakPolarHBondContact O-CB 3.38Å; L12-M73 HydrophobicContact CD1-CE 3.7Å; L12-M73 PolarHBondContact N-O 2.78Å; L12-M73 PolarHBondContact O-N 3.24Å; L12-Y86 HydrophobicContact CD1-CD1 4.21Å; L12-Y86 HydrophobicContact CD1-CD2 4.03Å; L12-Y86 HydrophobicContact CD1-CG 3.71Å
13	S	97.7	Very high	94.4	Very high	82 Å²	82	76.9 Å²	76.9	57%	0.573	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.2	177.7	71.4	0	0	0	0	110.8	A71 Y72	S13-A71 CarbonylContact C-O 3.44Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å; S13-Y72 VanDerWaalsContact CB-CD1 3.43Å
14	C	97.7	Very high	94.8	Very high	13 Å²	13	75.3 Å²	75.3	9%	0.088	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	109	177.2	177.6	0	0	0	0	109.2	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.71Å; C14-W28 HydrophobicContact CB-CZ2 3.91Å; C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.48Å; C14-A71 PolarHBondContact N-O 2.96Å; C14-A71 PolarHBondContact O-N 3.18Å; C14-C88 HydrophobicContact CB-CB 3.5Å; C14-C88 WeakPolarHBondContact CB-SG 2.88Å; C14-C88 WeakPolarHBondContact SG-CB 3.34Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.35Å
15	K	97.4	Very high	95.2	Very high	156 Å²	156	77 Å²	77	68%	0.678	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	119.5	179.4	-173.9	174	-178.3	177.2	0	109.9	S68 T70	K15-S68 WeakPolarHBondContact CE-O 3.43Å; K15-T70 HydrophobicContact CB-CG2 4.48Å
16	A	96	Very high	95.6	Very high	11 Å²	11	68.9 Å²	68.9	9%	0.091	41%	0.409	C	S	.	.			trans	-82.1	148.6	175.3	0	0	0	0	0	111.2	Y19 F21 M26 S69	A16-Y19 HydrophobicContact CB-CE1 3.87Å; A16-Y19 HydrophobicContact CB-CE2 4.37Å; A16-Y19 VanDerWaalsContact CB-OH 3.25Å; A16-Y19 WeakPolarHBondContact CB-OH 3.4Å; A16-F21 HydrophobicContact CB-CB 4.34Å; A16-F21 HydrophobicContact CB-CD2 3.41Å; A16-F21 VanDerWaalsContact CB-CD2 3.41Å; A16-F21 HydrophobicContact CB-CE2 4.02Å; A16-F21 HydrophobicContact CB-CG 4.17Å; A16-M26 HydrophobicContact CB-CE 4.39Å; A16-S69 PolarHBondContact N-O 3.14Å
17	S	95.3	Very high	96	Very high	100 Å²	100	66.1 Å²	66.1	70%	0.699	39%	0.386	S	S	*	.			trans	-153.1	157.6	173	63.5	0	0	0	0	110.5	Y19	S17-Y19 VanDerWaalsContact O-CD1 3.29Å; S17-Y19 WeakPolarHBondContact O-CD1 3.44Å
18	G	94.9	Very high	96.3	Very high	90 Å²	90	64 Å²	64	93%	0.928	36%	0.362	S	S	*	.	S	Bend	trans	85	2	178	0	0	0	0	0	115.5
19	Y	92.4	Very high	96.5	Very high	91 Å²	91	63.4 Å²	63.4	36%	0.357	35%	0.354	S	S	.	.	S	Bend	trans	-154.8	168.7	176.4	64.9	-84.9	0	0	0	111.5	A16 S17 F21 Y24	A16-Y19 HydrophobicContact CB-CE1 3.87Å; A16-Y19 HydrophobicContact CB-CE2 4.37Å; A16-Y19 VanDerWaalsContact CB-OH 3.25Å; A16-Y19 WeakPolarHBondContact CB-OH 3.4Å; S17-Y19 VanDerWaalsContact O-CD1 3.29Å; S17-Y19 WeakPolarHBondContact O-CD1 3.44Å; Y19-F21 PolarHBondContact O-N 2.84Å; Y19-Y24 AromaticContact CD2-CD2 3.45Å; Y19-Y24 HydrophobicContact CD2-CD2 3.45Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.45Å; Y19-Y24 AromaticContact CD2-CE2 3.9Å; Y19-Y24 HydrophobicContact CD2-CE2 3.9Å; Y19-Y24 HydrophobicContact CD2-CG 4.34Å; Y19-Y24 AromaticContact CE2-CD2 3.82Å; Y19-Y24 HydrophobicContact CE2-CD2 3.82Å; Y19-Y24 HydrophobicContact CE2-CG 4.33Å; Y19-Y24 HydrophobicContact CG-CD2 4.43Å
20	T	95.8	Very high	96.5	Very high	90 Å²	90	60.4 Å²	60.4	55%	0.552	33%	0.333	S	S	*	.			trans	-71.1	97.8	173.3	-53.4	0	0	0	0	109.9	T22 S23	T20-T22 PolarHBondContact O-N 2.81Å; T20-T22 VanDerWaalsContact O-N 3.09Å; T20-S23 WeakPolarHBondContact CB-OG 3.4Å; T20-S23 VanDerWaalsContact CG2-OG 3.3Å; T20-S23 WeakPolarHBondContact CG2-OG 3.05Å; T20-S23 WeakPolarHBondContact O-CB 3.29Å; T20-S23 PolarHBondContact O-N 2.93Å
21	F	95.8	Very high	96.6	Very high	8 Å²	8	62.8 Å²	62.8	4%	0.035	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-51.3	-36.3	-175.4	174.7	-121	0	0	0	113.9	A16 Y19 S23 M26 P45 V64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.34Å; A16-F21 HydrophobicContact CB-CD2 3.41Å; A16-F21 VanDerWaalsContact CB-CD2 3.41Å; A16-F21 HydrophobicContact CB-CE2 4.02Å; A16-F21 HydrophobicContact CB-CG 4.17Å; Y19-F21 PolarHBondContact O-N 2.84Å; F21-S23 PolarHBondContact O-N 3Å; F21-M26 HydrophobicContact CD2-CE 4.48Å; F21-M26 HydrophobicContact CE2-CE 3.93Å; F21-P45 HydrophobicContact CD1-CB 3.85Å; F21-P45 HydrophobicContact CD1-CG 4.4Å; F21-P45 HydrophobicContact CD2-CB 4.48Å; F21-P45 HydrophobicContact CD2-CG 4.15Å; F21-P45 HydrophobicContact CE1-CB 3.5Å; F21-P45 HydrophobicContact CE1-CG 4.03Å; F21-P45 HydrophobicContact CE2-CB 4.16Å; F21-P45 HydrophobicContact CE2-CG 3.73Å; F21-P45 HydrophobicContact CG-CB 4.36Å; F21-P45 HydrophobicContact CG-CG 4.49Å; F21-P45 HydrophobicContact CZ-CB 3.67Å; F21-P45 HydrophobicContact CZ-CG 3.67Å; F21-P45 WeakPolarHBondContact O-CG 3.47Å; F21-V64 HydrophobicContact CE1-CB 4.45Å; F21-V64 HydrophobicContact CZ-CB 4.49Å; F21-V64 HydrophobicContact CZ-CG1 4.14Å; F21-S69 VanDerWaalsContact CD1-CA 3.5Å; F21-A71 HydrophobicContact CE2-CB 4.44Å; F21-A71 HydrophobicContact CZ-CB 4.14Å
22	T	96.9	Very high	96.5	Very high	45 Å²	45	59.5 Å²	59.5	28%	0.276	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-73.6	-9.5	-179.3	51.2	0	0	0	0	114.5	T20 N46 K66	T20-T22 PolarHBondContact O-N 2.81Å; T20-T22 VanDerWaalsContact O-N 3.09Å; T22-N46 WeakPolarHBondContact O-CB 3.43Å; T22-K66 HydrophobicContact CG2-CG 4.38Å
23	S	96	Very high	96.4	Very high	71 Å²	71	63.3 Å²	63.3	50%	0.497	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-91	-11.6	-176.8	-59.6	0	0	0	0	114.4	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.4Å; T20-S23 VanDerWaalsContact CG2-OG 3.3Å; T20-S23 WeakPolarHBondContact CG2-OG 3.05Å; T20-S23 WeakPolarHBondContact O-CB 3.29Å; T20-S23 PolarHBondContact O-N 2.93Å; F21-S23 PolarHBondContact O-N 3Å
24	Y	94.6	Very high	96.2	Very high	144 Å²	144	63.9 Å²	63.9	57%	0.565	37%	0.374	S	S	*	.	S	Bend	trans	-128.5	144.5	-173.1	-62.7	-88	0	0	0	111.3	Y19 P45	Y19-Y24 AromaticContact CD2-CD2 3.45Å; Y19-Y24 HydrophobicContact CD2-CD2 3.45Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.45Å; Y19-Y24 AromaticContact CD2-CE2 3.9Å; Y19-Y24 HydrophobicContact CD2-CE2 3.9Å; Y19-Y24 HydrophobicContact CD2-CG 4.34Å; Y19-Y24 AromaticContact CE2-CD2 3.82Å; Y19-Y24 HydrophobicContact CE2-CD2 3.82Å; Y19-Y24 HydrophobicContact CE2-CG 4.33Å; Y19-Y24 HydrophobicContact CG-CD2 4.43Å; Y24-P45 WeakPolarHBondContact O-CD 3.48Å; Y24-P45 WeakPolarHBondContact O-CG 3.24Å
25	W	97.5	Very high	96	Very high	95 Å²	95	67.7 Å²	67.7	36%	0.36	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-67.6	140.2	170.2	-70.3	86.3	0	0	0	110.4	M42 I43 H44 S49	W25-M42 HydrophobicContact CB-CE 3.65Å; W25-M42 HydrophobicContact CD2-CE 3.27Å; W25-M42 HydrophobicContact CE3-CB 4.17Å; W25-M42 HydrophobicContact CE3-CE 3.33Å; W25-M42 HydrophobicContact CE3-CG 3.72Å; W25-M42 HydrophobicContact CE3-SD 4.31Å; W25-M42 HydrophobicContact CG-CE 3.42Å; W25-M42 VanDerWaalsContact CG-CE 3.42Å; W25-M42 HydrophobicContact CZ3-CE 4.05Å; W25-M42 HydrophobicContact CZ3-CG 4Å; W25-I43 VanDerWaalsContact CE3-C 3.43Å; W25-H44 AromaticContact CD1-CD2 3.75Å; W25-H44 HydrophobicContact CD2-CB 3.65Å; W25-H44 AromaticContact CD2-CD2 3.82Å; W25-H44 AromaticContact CE2-CD2 3.62Å; W25-H44 AromaticContact CE2-CG 3.89Å; W25-H44 HydrophobicContact CE3-CB 3.54Å; W25-H44 AromaticContact CG-CD2 3.92Å; W25-H44 HydrophobicContact CH2-CB 3.59Å; W25-H44 HydrophobicContact CZ2-CB 3.68Å; W25-H44 HydrophobicContact CZ3-CB 3.52Å; W25-H44 VanDerWaalsContact CZ3-N 3.33Å; W25-H44 AromaticContact NE1-CD2 3.53Å; W25-S49 VanDerWaalsContact CZ3-O 3.28Å; W25-S49 WeakPolarHBondContact CZ3-O 2.97Å
26	M	97.9	Very high	95.9	Very high	4 Å²	4	62.9 Å²	62.9	2%	0.02	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.3	170.9	-176.7	62.7	64.4	0	0	109.1	A16 F21 M42 I43 A71 C88 A89	A16-M26 HydrophobicContact CB-CE 4.39Å; F21-M26 HydrophobicContact CD2-CE 4.48Å; F21-M26 HydrophobicContact CE2-CE 3.93Å; M26-M42 CarbonylContact O-C 3.53Å; M26-M42 WeakPolarHBondContact O-CA 3.06Å; M26-I43 HydrophobicContact CB-CG2 4.13Å; M26-I43 PolarHBondContact N-O 3.49Å; M26-I43 PolarHBondContact O-N 3.11Å; M26-A71 HydrophobicContact CB-CB 4.22Å; M26-A71 HydrophobicContact CG-CB 3.65Å; M26-C88 HydrophobicContact SD-CB 3.7Å; M26-A89 CarbonylContact C-O 3.59Å
27	H	98.1	Very high	95.9	Very high	62 Å²	62	67.9 Å²	67.9	29%	0.287	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	146.6	177	-68.4	-105.5	0	0	0	110.8	W39 M42 C88 A89	H27-W39 AromaticContact ND1-CD1 3.97Å; H27-W39 AromaticContact ND1-NE1 3.28Å; H27-W39 PolarHBondContact ND1-NE1 2.91Å; H27-M42 VanDerWaalsContact CE1-CE 3.45Å; H27-M42 WeakPolarHBondContact CE1-CE 2.98Å; H27-M42 PolarHBondContact CE1-SD 2.85Å; H27-M42 WeakPolarHBondContact NE2-CE 3.15Å; H27-C88 WeakPolarHBondContact O-CA 3.4Å; H27-A89 PolarHBondContact N-O 2.75Å; H27-A89 PolarHBondContact O-N 2.64Å; H27-A89 VanDerWaalsContact O-N 3.08Å
28	W	98.5	Very high	96	Very high	6 Å²	6	64.9 Å²	64.9	2%	0.023	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.1	172.2	-70.4	88.6	0	0	0	110.2	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.17Å; L12-W28 HydrophobicContact CB-CZ3 4.01Å; C14-W28 HydrophobicContact CB-CH2 3.71Å; C14-W28 HydrophobicContact CB-CZ2 3.91Å; W28-I40 HydrophobicContact CB-CB 4.2Å; W28-I40 HydrophobicContact CB-CD1 4.35Å; W28-I40 WeakPolarHBondContact O-CB 3.22Å; W28-I40 PolarHBondContact O-N 2.86Å; W28-G41 PolarHBondContact N-O 2.9Å; W28-L62 HydrophobicContact CG-CD2 4.03Å; W28-A71 HydrophobicContact CZ2-CB 4.18Å; W28-M73 HydrophobicContact CB-SD 3.9Å; W28-M73 HydrophobicContact CD2-CB 3.7Å; W28-M73 HydrophobicContact CD2-CE 4.24Å; W28-M73 HydrophobicContact CD2-CG 4.49Å; W28-M73 HydrophobicContact CD2-SD 4.09Å; W28-M73 HydrophobicContact CE3-CB 3.87Å; W28-M73 HydrophobicContact CE3-CE 3.67Å; W28-M73 HydrophobicContact CE3-SD 4.14Å; W28-M73 HydrophobicContact CG-CB 4.27Å; W28-M73 HydrophobicContact CG-SD 4.01Å; W28-M73 HydrophobicContact CH2-CB 4.05Å; W28-M73 HydrophobicContact CZ2-CB 3.91Å; W28-M73 HydrophobicContact CZ3-CB 4.04Å; W28-M73 HydrophobicContact CZ3-CE 4.24Å; W28-Y87 WeakPolarHBondContact CA-O 3.49Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.26Å
29	V	98.1	Very high	96.1	Very high	24 Å²	24	64.3 Å²	64.3	15%	0.145	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.5	-174	-173.5	0	0	0	0	109.5	L37 E38 Y86 Y87	V29-L37 HydrophobicContact CG1-CB 3.73Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.24Å; V29-E38 WeakPolarHBondContact CA-O 3.47Å; V29-E38 WeakPolarHBondContact CG1-O 3.25Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.5Å; V29-Y87 PolarHBondContact N-O 2.92Å; V29-Y87 PolarHBondContact O-N 3.44Å
30	K	96.6	Very high	96.4	Very high	1 Å²	1	60 Å²	60	0%	0.004	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	142.1	175.7	-177.2	-178	176.2	-173.9	0	110.1	E38 I40 F56 E81 D82 A84 V85 Y86	K30-E38 HydrophobicContact CB-CB 4.47Å; K30-E38 PolarHBondContact N-O 2.7Å; K30-E38 PolarHBondContact O-N 3.05Å; K30-I40 HydrophobicContact CB-CD1 4.05Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; K30-F56 HydrophobicContact CD-CE1 4.23Å; K30-F56 HydrophobicContact CD-CZ 4.33Å; K30-E81 WeakPolarHBondContact CE-O 3.39Å; K30-E81 PolarHBondContact NZ-O 3.38Å; K30-D82 IonicContact NZ-OD1 3.7Å; K30-A84 HydrophobicContact CD-CB 4Å; K30-A84 VanDerWaalsContact CE-CB 3.44Å; K30-A84 HydrophobicContact CG-CB 3.37Å; K30-V85 CarbonylContact C-O 3.6Å; K30-Y86 HydrophobicContact CB-CD1 4.09Å; K30-Y86 HydrophobicContact CB-CE1 3.89Å; K30-Y86 HydrophobicContact CD-CE1 3.94Å; K30-Y86 HydrophobicContact CG-CD1 4.25Å; K30-Y86 HydrophobicContact CG-CE1 3.76Å
31	Q	97.1	Very high	96.5	Very high	66 Å²	66	55.7 Å²	55.7	31%	0.308	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	116.8	172.9	-168.8	-179.1	31.2	0	0	110.6	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.88Å; Q31-L37 HydrophobicContact CG-CD2 4.03Å; Q31-A84 WeakPolarHBondContact O-CA 3.43Å; Q31-A84 VanDerWaalsContact O-CB 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.43Å; Q31-V85 PolarHBondContact N-O 3.14Å; Q31-V85 PolarHBondContact O-N 3.36Å; Q31-Y87 HydrophobicContact CB-CD2 4.45Å; Q31-Y87 HydrophobicContact CB-CE2 3.75Å; Q31-Y87 PolarHBondContact OE1-OH 2.62Å
32	R	95.4	Very high	96.6	Very high	50 Å²	50	56.9 Å²	56.9	19%	0.189	32%	0.317	C	S	.	.			trans	-87	151.1	169.8	-58.8	-166.6	-171.6	107.7	-6.9	110.5	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.55Å; R32-Q35 HydrophobicContact CB-CB 4.05Å; R32-Q35 HydrophobicContact CB-CG 4.07Å; R32-Q35 PolarHBondContact O-N 3.48Å; R32-E38 IonicContact CZ-OE1 3.71Å; R32-E38 IonicContact NH1-OE1 3.14Å; R32-E38 PolarHBondContact NH1-OE1 3.15Å; R32-E38 VanDerWaalsContact NH1-OE1 3.14Å; R32-E81 PolarHBondContact NE-O 2.77Å; R32-E81 PolarHBondContact NH2-O 2.97Å; R32-A84 HydrophobicContact CG-CB 4.15Å
33	P	93.9	Very high	96.7	Very high	121 Å²	121	54.9 Å²	54.9	79%	0.786	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	127.3	171.6	-24.9	34.4	0	0	0	111.3	Q35	P33-Q35 PolarHBondContact O-N 2.95Å
34	G	93.9	Very high	96.8	Very high	93 Å²	93	53.2 Å²	53.2	96%	0.959	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	4.3	-179.4	0	0	0	0	0	115.7	R32	R32-G34 PolarHBondContact O-N 2.55Å
35	Q	93.7	Very high	96.9	Very high	93 Å²	93	46.3 Å²	46.3	44%	0.435	26%	0.262	S	S	.	.	S	Bend	trans	-114.2	159.7	175	-59.2	-173.1	-3.5	0	0	111.5	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.05Å; R32-Q35 HydrophobicContact CB-CG 4.07Å; R32-Q35 PolarHBondContact O-N 3.48Å; P33-Q35 PolarHBondContact O-N 2.95Å
36	G	94.4	Very high	96.9	Very high	55 Å²	55	46.1 Å²	46.1	57%	0.567	27%	0.268	S	S	*	.			trans	-68.8	176.9	173.4	0	0	0	0	0	113.1
37	L	96.4	Very high	96.9	Very high	117 Å²	117	49.8 Å²	49.8	61%	0.613	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	126.6	172.7	-66	178.9	0	0	0	110.3	V29 Q31 Y87	V29-L37 HydrophobicContact CG1-CB 3.73Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.24Å; Q31-L37 HydrophobicContact CB-CD2 3.88Å; Q31-L37 HydrophobicContact CG-CD2 4.03Å; L37-Y87 HydrophobicContact CD2-CD2 4.45Å; L37-Y87 HydrophobicContact CD2-CE2 4.38Å
38	E	97	Very high	96.8	Very high	37 Å²	37	48.6 Å²	48.6	17%	0.173	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	114.4	173.5	-66.4	-169.2	-89.7	0	0	109.5	V29 K30 R32 I40 K55	V29-E38 WeakPolarHBondContact CA-O 3.47Å; V29-E38 WeakPolarHBondContact CG1-O 3.25Å; K30-E38 HydrophobicContact CB-CB 4.47Å; K30-E38 PolarHBondContact N-O 2.7Å; K30-E38 PolarHBondContact O-N 3.05Å; R32-E38 IonicContact CZ-OE1 3.71Å; R32-E38 IonicContact NH1-OE1 3.14Å; R32-E38 PolarHBondContact NH1-OE1 3.15Å; R32-E38 VanDerWaalsContact NH1-OE1 3.14Å; E38-I40 PolarHBondContact O-N 3.2Å; E38-K55 IonicContact OE2-NZ 3.66Å
39	W	97.8	Very high	96.8	Very high	78 Å²	78	51 Å²	51	30%	0.295	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	128.1	175.2	-179.2	73	0	0	0	110.7	H27 G41 M42 N51 N53	H27-W39 AromaticContact ND1-CD1 3.97Å; H27-W39 AromaticContact ND1-NE1 3.28Å; H27-W39 PolarHBondContact ND1-NE1 2.91Å; W39-G41 PolarHBondContact NE1-O 2.92Å; W39-G41 VanDerWaalsContact NE1-O 3.1Å; W39-M42 HydrophobicContact CZ2-CB 4.07Å; W39-M42 HydrophobicContact CZ2-CG 3.84Å; W39-M42 HydrophobicContact CZ2-SD 3.86Å; W39-N51 HydrophobicContact CH2-CB 4.33Å; W39-N53 HydrophobicContact CE3-CB 3.75Å; W39-N53 HydrophobicContact CZ3-CB 3.9Å; W39-N53 VanDerWaalsContact CZ3-N 3.33Å; W39-N53 VanDerWaalsContact O-CB 3.24Å; W39-N53 WeakPolarHBondContact O-CB 3.49Å; W39-N53 PolarHBondContact O-ND2 3.49Å
40	I	98.1	Very high	96.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-49.2	-179	-61.5	172.5	0	0	0	110.4	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.2Å; W28-I40 HydrophobicContact CB-CD1 4.35Å; W28-I40 WeakPolarHBondContact O-CB 3.22Å; W28-I40 PolarHBondContact O-N 2.86Å; K30-I40 HydrophobicContact CB-CD1 4.05Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; E38-I40 PolarHBondContact O-N 3.2Å; I40-N53 PolarHBondContact O-N 3.48Å; I40-F56 HydrophobicContact CB-CD2 4.33Å; I40-F56 HydrophobicContact CB-CG 4.33Å; I40-F56 HydrophobicContact CG1-CD1 4.32Å; I40-F56 HydrophobicContact CG1-CD2 4.27Å; I40-F56 HydrophobicContact CG1-CE1 4.33Å; I40-F56 HydrophobicContact CG1-CE2 4.27Å; I40-F56 HydrophobicContact CG1-CG 4.29Å; I40-F56 HydrophobicContact CG1-CZ 4.3Å; I40-F56 HydrophobicContact CG2-CB 3.76Å; I40-F56 HydrophobicContact CG2-CD1 4.35Å; I40-F56 HydrophobicContact CG2-CD2 4.37Å; I40-F56 HydrophobicContact CG2-CG 3.92Å; I40-A60 HydrophobicContact CG2-CB 3.8Å; I40-M73 HydrophobicContact CB-SD 4.48Å; I40-M73 HydrophobicContact CD1-CE 3.68Å; I40-M73 HydrophobicContact CD1-SD 3.59Å; I40-M73 VanDerWaalsContact CD1-SD 3.59Å; I40-M73 HydrophobicContact CG2-SD 3.85Å; I40-Y86 HydrophobicContact CD1-CD1 3.77Å; I40-Y86 HydrophobicContact CD1-CE1 3.73Å
41	G	98.3	Very high	96.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.7	178.3	-170.3	0	0	0	0	0	112.2	W28 W39 N51	W28-G41 PolarHBondContact N-O 2.9Å; W39-G41 PolarHBondContact NE1-O 2.92Å; W39-G41 VanDerWaalsContact NE1-O 3.1Å; G41-N51 CarbonylContact C-O 3.5Å; G41-N51 WeakPolarHBondContact CA-O 3.45Å
42	M	98.4	Very high	96.9	Very high	32 Å²	32	55.7 Å²	55.7	16%	0.158	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	151.7	175.6	65.1	-160.9	-78.6	0	0	110.7	W25 M26 H27 W39 T50 N51	W25-M42 HydrophobicContact CB-CE 3.65Å; W25-M42 HydrophobicContact CD2-CE 3.27Å; W25-M42 HydrophobicContact CE3-CB 4.17Å; W25-M42 HydrophobicContact CE3-CE 3.33Å; W25-M42 HydrophobicContact CE3-CG 3.72Å; W25-M42 HydrophobicContact CE3-SD 4.31Å; W25-M42 HydrophobicContact CG-CE 3.42Å; W25-M42 VanDerWaalsContact CG-CE 3.42Å; W25-M42 HydrophobicContact CZ3-CE 4.05Å; W25-M42 HydrophobicContact CZ3-CG 4Å; M26-M42 CarbonylContact O-C 3.53Å; M26-M42 WeakPolarHBondContact O-CA 3.06Å; H27-M42 VanDerWaalsContact CE1-CE 3.45Å; H27-M42 WeakPolarHBondContact CE1-CE 2.98Å; H27-M42 PolarHBondContact CE1-SD 2.85Å; H27-M42 WeakPolarHBondContact NE2-CE 3.15Å; W39-M42 HydrophobicContact CZ2-CB 4.07Å; W39-M42 HydrophobicContact CZ2-CG 3.84Å; W39-M42 HydrophobicContact CZ2-SD 3.86Å; M42-T50 VanDerWaalsContact O-CA 3.29Å; M42-T50 WeakPolarHBondContact O-CA 3.43Å; M42-N51 HydrophobicContact CG-CB 4.1Å; M42-N51 PolarHBondContact N-O 3.06Å; M42-N51 PolarHBondContact O-N 2.01Å
43	I	98.6	Very high	97	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.021	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	133.1	174.9	-175.8	159.9	0	0	0	110	W25 M26 P45 S49 T50 L62 V64	W25-I43 VanDerWaalsContact CE3-C 3.43Å; M26-I43 HydrophobicContact CB-CG2 4.13Å; M26-I43 PolarHBondContact N-O 3.49Å; M26-I43 PolarHBondContact O-N 3.11Å; I43-P45 WeakPolarHBondContact O-CD 3.43Å; I43-S49 CarbonylContact C-O 3.58Å; I43-S49 WeakPolarHBondContact CA-O 3.19Å; I43-T50 HydrophobicContact CB-CG2 4.06Å; I43-T50 HydrophobicContact CD1-CG2 3.74Å; I43-T50 HydrophobicContact CG1-CG2 3.86Å; I43-L62 HydrophobicContact CB-CB 4.05Å; I43-L62 HydrophobicContact CB-CD1 4.25Å; I43-L62 HydrophobicContact CD1-CB 4.12Å; I43-L62 HydrophobicContact CG2-CB 4.25Å; I43-V64 HydrophobicContact CD1-CG1 3.83Å; I43-V64 HydrophobicContact CD1-CG2 4.32Å; I43-V64 HydrophobicContact CG1-CG1 3.99Å; I43-V64 HydrophobicContact CG2-CG1 3.85Å
44	H	98.1	Very high	97.1	Very high	35 Å²	35	55.8 Å²	55.8	16%	0.162	34%	0.336	C	S	.	.			trans	-86.6	112.3	172.5	-169.6	-114.9	0	0	0	109.1	W25 N46 S47 G48 S49	W25-H44 AromaticContact CD1-CD2 3.75Å; W25-H44 HydrophobicContact CD2-CB 3.65Å; W25-H44 AromaticContact CD2-CD2 3.82Å; W25-H44 AromaticContact CE2-CD2 3.62Å; W25-H44 AromaticContact CE2-CG 3.89Å; W25-H44 HydrophobicContact CE3-CB 3.54Å; W25-H44 AromaticContact CG-CD2 3.92Å; W25-H44 HydrophobicContact CH2-CB 3.59Å; W25-H44 HydrophobicContact CZ2-CB 3.68Å; W25-H44 HydrophobicContact CZ3-CB 3.52Å; W25-H44 VanDerWaalsContact CZ3-N 3.33Å; W25-H44 AromaticContact NE1-CD2 3.53Å; H44-N46 PolarHBondContact O-N 3.38Å; H44-N46 VanDerWaalsContact O-N 3.16Å; H44-S47 WeakPolarHBondContact CB-OG 3.33Å; H44-S47 PolarHBondContact ND1-N 2.86Å; H44-S47 PolarHBondContact ND1-OG 3.03Å; H44-S47 PolarHBondContact O-N 3.08Å; H44-G48 WeakPolarHBondContact O-CA 3.26Å; H44-G48 PolarHBondContact O-N 2.94Å; H44-S49 PolarHBondContact N-O 2.76Å
45	P	97.3	Very high	97.1	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.2	-169.7	-22.5	35	0	0	0	113.9	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.85Å; F21-P45 HydrophobicContact CD1-CG 4.4Å; F21-P45 HydrophobicContact CD2-CB 4.48Å; F21-P45 HydrophobicContact CD2-CG 4.15Å; F21-P45 HydrophobicContact CE1-CB 3.5Å; F21-P45 HydrophobicContact CE1-CG 4.03Å; F21-P45 HydrophobicContact CE2-CB 4.16Å; F21-P45 HydrophobicContact CE2-CG 3.73Å; F21-P45 HydrophobicContact CG-CB 4.36Å; F21-P45 HydrophobicContact CG-CG 4.49Å; F21-P45 HydrophobicContact CZ-CB 3.67Å; F21-P45 HydrophobicContact CZ-CG 3.67Å; F21-P45 WeakPolarHBondContact O-CG 3.47Å; Y24-P45 WeakPolarHBondContact O-CD 3.48Å; Y24-P45 WeakPolarHBondContact O-CG 3.24Å; I43-P45 WeakPolarHBondContact O-CD 3.43Å; P45-V64 HydrophobicContact CB-CB 4.46Å; P45-V64 HydrophobicContact CB-CG1 4.06Å; P45-V64 HydrophobicContact CG-CG1 4.32Å; P45-K66 WeakPolarHBondContact O-CE 2.88Å
46	N	97.2	Very high	97.2	Very high	91 Å²	91	54.5 Å²	54.5	49%	0.487	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-50.4	176	-169.7	27.2	0	0	0	112.9	T22 H44 K66	T22-N46 WeakPolarHBondContact O-CB 3.43Å; H44-N46 PolarHBondContact O-N 3.38Å; H44-N46 VanDerWaalsContact O-N 3.16Å; N46-K66 WeakPolarHBondContact O-CE 3.29Å; N46-K66 PolarHBondContact O-NZ 2.79Å
47	S	97.2	Very high	97.2	Very high	80 Å²	80	57.3 Å²	57.3	56%	0.559	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-15.3	-173.1	56.1	0	0	0	0	113.5	H44 S49	H44-S47 WeakPolarHBondContact CB-OG 3.33Å; H44-S47 PolarHBondContact ND1-N 2.86Å; H44-S47 PolarHBondContact ND1-OG 3.03Å; H44-S47 PolarHBondContact O-N 3.08Å; S47-S49 PolarHBondContact O-N 3.28Å; S47-S49 WeakPolarHBondContact OG-CB 3.12Å; S47-S49 PolarHBondContact OG-N 3.3Å
48	G	96.5	Very high	97.1	Very high	37 Å²	37	57.4 Å²	57.4	38%	0.381	31%	0.309	S	S	.	.			trans	69.6	6.6	-171.5	0	0	0	0	0	113.5	H44 T50	H44-G48 WeakPolarHBondContact O-CA 3.26Å; H44-G48 PolarHBondContact O-N 2.94Å; G48-T50 PolarHBondContact O-N 3.1Å
49	S	98	Very high	97	Very high	58 Å²	58	57.5 Å²	57.5	41%	0.406	31%	0.309	S	S	.	.			trans	-63.9	133.2	177.9	-177.6	0	0	0	0	109.8	W25 I43 H44 S47	W25-S49 VanDerWaalsContact CZ3-O 3.28Å; W25-S49 WeakPolarHBondContact CZ3-O 2.97Å; I43-S49 CarbonylContact C-O 3.58Å; I43-S49 WeakPolarHBondContact CA-O 3.19Å; H44-S49 PolarHBondContact N-O 2.76Å; S47-S49 PolarHBondContact O-N 3.28Å; S47-S49 WeakPolarHBondContact OG-CB 3.12Å; S47-S49 PolarHBondContact OG-N 3.3Å
50	T	98.3	Very high	97	Very high	55 Å²	55	54 Å²	54	34%	0.337	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	142.4	-179.3	55.7	0	0	0	0	111.1	M42 I43 G48 Y52 L62	M42-T50 VanDerWaalsContact O-CA 3.29Å; M42-T50 WeakPolarHBondContact O-CA 3.43Å; I43-T50 HydrophobicContact CB-CG2 4.06Å; I43-T50 HydrophobicContact CD1-CG2 3.74Å; I43-T50 HydrophobicContact CG1-CG2 3.86Å; G48-T50 PolarHBondContact O-N 3.1Å; T50-Y52 HydrophobicContact CG2-CE2 4.36Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.37Å; T50-L62 HydrophobicContact CG2-CB 4.13Å
51	N	98	Very high	97	Very high	93 Å²	93	57.2 Å²	57.2	50%	0.497	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	145	164.5	-168.8	18.1	0	0	0	109.4	W39 G41 M42	W39-N51 HydrophobicContact CH2-CB 4.33Å; G41-N51 CarbonylContact C-O 3.5Å; G41-N51 WeakPolarHBondContact CA-O 3.45Å; M42-N51 HydrophobicContact CG-CB 4.1Å; M42-N51 PolarHBondContact N-O 3.06Å; M42-N51 PolarHBondContact O-N 2.01Å
52	Y	98.3	Very high	97.1	Very high	40 Å²	40	57.7 Å²	57.7	16%	0.157	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	150.2	-175.2	-65.4	-89.6	0	0	0	110.5	T50 K57 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.36Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.37Å; Y52-K57 HydrophobicContact CG-CG 4.5Å; Y52-A60 HydrophobicContact CE1-CB 4.3Å; Y52-A60 VanDerWaalsContact CE1-O 3.25Å; Y52-A60 WeakPolarHBondContact CE1-O 3.46Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 2.79Å
53	N	97.3	Very high	97.1	Very high	47 Å²	47	59 Å²	59	25%	0.251	33%	0.329	S	S	.	.			trans	-72.1	133.3	157.6	-178.4	-23.8	0	0	0	108.5	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.75Å; W39-N53 HydrophobicContact CZ3-CB 3.9Å; W39-N53 VanDerWaalsContact CZ3-N 3.33Å; W39-N53 VanDerWaalsContact O-CB 3.24Å; W39-N53 WeakPolarHBondContact O-CB 3.49Å; W39-N53 PolarHBondContact O-ND2 3.49Å; I40-N53 PolarHBondContact O-N 3.48Å; N53-K55 PolarHBondContact O-N 3.19Å; N53-K55 PolarHBondContact OD1-N 2.89Å; N53-F56 HydrophobicContact CB-CD2 4.02Å; N53-F56 PolarHBondContact O-N 3.19Å; N53-K57 PolarHBondContact O-N 2.83Å
54	E	96.2	Very high	97	Very high	127 Å²	127	60.8 Å²	60.8	59%	0.593	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-31.3	-176.3	-69.1	-60.6	147.1	0	0	112.8	F56 K57	E54-F56 PolarHBondContact O-N 2.88Å; E54-K57 IonicContact OE1-NZ 2.83Å; E54-K57 PolarHBondContact OE1-NZ 2.85Å; E54-K57 VanDerWaalsContact OE2-CD 3.26Å; E54-K57 WeakPolarHBondContact OE2-CD 3.25Å; E54-K57 IonicContact OE2-NZ 3.33Å; E54-K57 PolarHBondContact OE2-NZ 2.87Å
55	K	94.1	Very high	97	Very high	148 Å²	148	61.6 Å²	61.6	64%	0.643	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.4	175.1	-67.7	-174.6	-177.2	-179.3	0	114.2	E38 N53	E38-K55 IonicContact OE2-NZ 3.66Å; N53-K55 PolarHBondContact O-N 3.19Å; N53-K55 PolarHBondContact OD1-N 2.89Å
56	F	95.7	Very high	96.9	Very high	11 Å²	11	66.7 Å²	66.7	5%	0.048	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-6.7	-172.3	-60.8	-82	0	0	0	113.3	K30 I40 N53 E54 S58 K59 A60	K30-F56 HydrophobicContact CD-CE1 4.23Å; K30-F56 HydrophobicContact CD-CZ 4.33Å; I40-F56 HydrophobicContact CB-CD2 4.33Å; I40-F56 HydrophobicContact CB-CG 4.33Å; I40-F56 HydrophobicContact CG1-CD1 4.32Å; I40-F56 HydrophobicContact CG1-CD2 4.27Å; I40-F56 HydrophobicContact CG1-CE1 4.33Å; I40-F56 HydrophobicContact CG1-CE2 4.27Å; I40-F56 HydrophobicContact CG1-CG 4.29Å; I40-F56 HydrophobicContact CG1-CZ 4.3Å; I40-F56 HydrophobicContact CG2-CB 3.76Å; I40-F56 HydrophobicContact CG2-CD1 4.35Å; I40-F56 HydrophobicContact CG2-CD2 4.37Å; I40-F56 HydrophobicContact CG2-CG 3.92Å; N53-F56 HydrophobicContact CB-CD2 4.02Å; N53-F56 PolarHBondContact O-N 3.19Å; E54-F56 PolarHBondContact O-N 2.88Å; F56-S58 VanDerWaalsContact C-N 3.26Å; F56-S58 PolarHBondContact O-N 3.22Å; F56-K59 PolarHBondContact O-N 3.33Å; F56-A60 HydrophobicContact CB-CB 4.31Å; F56-A60 PolarHBondContact O-N 2.88Å
57	K	94.7	Very high	96.8	Very high	114 Å²	114	67.5 Å²	67.5	50%	0.496	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-32.3	-173.4	-167.5	176.6	-170.6	172.7	0	114.3	Y52 N53 E54	Y52-K57 HydrophobicContact CG-CG 4.5Å; N53-K57 PolarHBondContact O-N 2.83Å; E54-K57 IonicContact OE1-NZ 2.83Å; E54-K57 PolarHBondContact OE1-NZ 2.85Å; E54-K57 VanDerWaalsContact OE2-CD 3.26Å; E54-K57 WeakPolarHBondContact OE2-CD 3.25Å; E54-K57 IonicContact OE2-NZ 3.33Å; E54-K57 PolarHBondContact OE2-NZ 2.87Å
58	S	94.6	Very high	96.8	Very high	119 Å²	119	65.3 Å²	65.3	83%	0.832	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-10.5	175.9	58.3	0	0	0	0	113.8	F56	F56-S58 VanDerWaalsContact C-N 3.26Å; F56-S58 PolarHBondContact O-N 3.22Å
59	K	95.4	Very high	96.8	Very high	39 Å²	39	65.5 Å²	65.5	17%	0.17	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-34.4	-168	-157.6	173	-167.5	171.1	0	113.5	F56 L75 S76 S77 D82	F56-K59 PolarHBondContact O-N 3.33Å; K59-L75 WeakPolarHBondContact O-CA 3.33Å; K59-S76 WeakPolarHBondContact CE-O 3.16Å; K59-S76 WeakPolarHBondContact CG-O 3.34Å; K59-S76 PolarHBondContact O-N 2.88Å; K59-S77 WeakPolarHBondContact CE-O 3.25Å; K59-D82 WeakPolarHBondContact CE-OD1 3.48Å; K59-D82 WeakPolarHBondContact CE-OD2 3.33Å; K59-D82 IonicContact NZ-OD1 2.86Å; K59-D82 PolarHBondContact NZ-OD1 3.32Å; K59-D82 IonicContact NZ-OD2 2.55Å; K59-D82 PolarHBondContact NZ-OD2 2.88Å
60	A	97.6	Very high	96.9	Very high	3 Å²	3	63.1 Å²	63.1	3%	0.025	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.3	-176.6	0	0	0	0	0	111	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.8Å; Y52-A60 HydrophobicContact CE1-CB 4.3Å; Y52-A60 VanDerWaalsContact CE1-O 3.25Å; Y52-A60 WeakPolarHBondContact CE1-O 3.46Å; F56-A60 HydrophobicContact CB-CB 4.31Å; F56-A60 PolarHBondContact O-N 2.88Å; A60-M73 HydrophobicContact CB-CG 4.43Å; A60-M73 HydrophobicContact CB-SD 4.39Å; A60-Q74 CarbonylContact C-O 3.55Å; A60-Q74 WeakPolarHBondContact CA-O 3.48Å; A60-L75 HydrophobicContact CB-CD2 3.85Å
61	T	98.3	Very high	96.9	Very high	69 Å²	69	60.5 Å²	60.5	42%	0.423	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.6	169.7	-57.1	0	0	0	0	108.8	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.36Å; T61-M73 WeakPolarHBondContact O-CA 3.31Å; T61-Q74 PolarHBondContact N-O 2.82Å; T61-Q74 PolarHBondContact O-N 3.24Å
62	L	98.5	Very high	96.9	Very high	9 Å²	9	58.5 Å²	58.5	5%	0.047	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134	177.6	-53.5	-175.8	0	0	0	110.6	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.03Å; I43-L62 HydrophobicContact CB-CB 4.05Å; I43-L62 HydrophobicContact CB-CD1 4.25Å; I43-L62 HydrophobicContact CD1-CB 4.12Å; I43-L62 HydrophobicContact CG2-CB 4.25Å; T50-L62 HydrophobicContact CG2-CB 4.13Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 2.79Å; L62-Y72 WeakPolarHBondContact CA-O 3.39Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.05Å
63	T	98.4	Very high	96.9	Very high	61 Å²	61	56.6 Å²	56.6	37%	0.374	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	163	176.6	55.4	0	0	0	0	110.4	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.36Å; T63-Y72 PolarHBondContact N-O 3.43Å; T63-Y72 PolarHBondContact O-N 2.83Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.13Å
64	V	98	Very high	96.9	Very high	41 Å²	41	58.2 Å²	58.2	25%	0.248	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.5	177.9	-69.1	0	0	0	0	110.9	F21 I43 P45 A71	F21-V64 HydrophobicContact CE1-CB 4.45Å; F21-V64 HydrophobicContact CZ-CB 4.49Å; F21-V64 HydrophobicContact CZ-CG1 4.14Å; I43-V64 HydrophobicContact CD1-CG1 3.83Å; I43-V64 HydrophobicContact CD1-CG2 4.32Å; I43-V64 HydrophobicContact CG1-CG1 3.99Å; I43-V64 HydrophobicContact CG2-CG1 3.85Å; P45-V64 HydrophobicContact CB-CB 4.46Å; P45-V64 HydrophobicContact CB-CG1 4.06Å; P45-V64 HydrophobicContact CG-CG1 4.32Å; V64-A71 HydrophobicContact CG1-CB 4.19Å
65	D	97.4	Very high	96.9	Very high	52 Å²	52	52.2 Å²	52.2	28%	0.278	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	105.8	163.3	175	9.3	0	0	0	108.3	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.28Å; D65-S67 PolarHBondContact O-N 2.93Å; D65-S67 WeakPolarHBondContact OD1-CB 3.2Å; D65-S67 PolarHBondContact OD1-N 2.87Å; D65-S67 PolarHBondContact OD1-OG 3.01Å; D65-S67 PolarHBondContact OD2-OG 2.82Å; D65-S68 PolarHBondContact OD1-N 2.92Å; D65-S68 VanDerWaalsContact OD2-CB 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 3.44Å; D65-S68 PolarHBondContact OD2-OG 3.42Å; D65-S69 PolarHBondContact O-N 2.91Å; D65-S69 VanDerWaalsContact O-N 3.14Å; D65-T70 PolarHBondContact N-O 3.01Å; D65-T70 PolarHBondContact O-N 2.99Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å
66	K	95.6	Very high	97	Very high	106 Å²	106	46.8 Å²	46.8	46%	0.461	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-33	179.9	-64.4	175.3	177.2	178.8	0	111.9	T22 P45 N46 S69	T22-K66 HydrophobicContact CG2-CG 4.38Å; P45-K66 WeakPolarHBondContact O-CE 2.88Å; N46-K66 WeakPolarHBondContact O-CE 3.29Å; N46-K66 PolarHBondContact O-NZ 2.79Å; K66-S69 PolarHBondContact O-N 2.92Å
67	S	95.4	Very high	97	Very high	108 Å²	108	50.2 Å²	50.2	76%	0.755	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-37.2	-174.5	72.6	0	0	0	0	111.8	D65	D65-S67 VanDerWaalsContact C-N 3.28Å; D65-S67 PolarHBondContact O-N 2.93Å; D65-S67 WeakPolarHBondContact OD1-CB 3.2Å; D65-S67 PolarHBondContact OD1-N 2.87Å; D65-S67 PolarHBondContact OD1-OG 3.01Å; D65-S67 PolarHBondContact OD2-OG 2.82Å
68	S	96.9	Very high	97	Very high	35 Å²	35	45.4 Å²	45.4	25%	0.245	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-1.1	177.9	66.5	0	0	0	0	113.8	K15 D65 T70	K15-S68 WeakPolarHBondContact CE-O 3.43Å; D65-S68 PolarHBondContact OD1-N 2.92Å; D65-S68 VanDerWaalsContact OD2-CB 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 3.44Å; D65-S68 PolarHBondContact OD2-OG 3.42Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 2.87Å; S68-T70 PolarHBondContact O-OG1 3.47Å; S68-T70 WeakPolarHBondContact OG-CB 3.46Å; S68-T70 PolarHBondContact OG-OG1 2.85Å
69	S	97.2	Very high	96.9	Very high	40 Å²	40	43 Å²	43	28%	0.28	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	42.5	-171.2	-61	0	0	0	0	112.8	A16 F21 D65 K66	A16-S69 PolarHBondContact N-O 3.14Å; F21-S69 VanDerWaalsContact CD1-CA 3.5Å; D65-S69 PolarHBondContact O-N 2.91Å; D65-S69 VanDerWaalsContact O-N 3.14Å; K66-S69 PolarHBondContact O-N 2.92Å
70	T	98.3	Very high	96.8	Very high	8 Å²	8	46.4 Å²	46.4	5%	0.049	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.8	-174.9	-49.2	0	0	0	0	110.9	C14 K15 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.48Å; K15-T70 HydrophobicContact CB-CG2 4.48Å; D65-T70 PolarHBondContact N-O 3.01Å; D65-T70 PolarHBondContact O-N 2.99Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 2.87Å; S68-T70 PolarHBondContact O-OG1 3.47Å; S68-T70 WeakPolarHBondContact OG-CB 3.46Å; S68-T70 PolarHBondContact OG-OG1 2.85Å; T70-Y72 HydrophobicContact CG2-CD1 4.32Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.73Å; T70-Y72 HydrophobicContact CG2-CE2 3.75Å
71	A	98.3	Very high	96.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	148.8	165.6	0	0	0	0	0	110	S13 C14 F21 M26 W28 V64	S13-A71 CarbonylContact C-O 3.44Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å; C14-A71 PolarHBondContact N-O 2.96Å; C14-A71 PolarHBondContact O-N 3.18Å; F21-A71 HydrophobicContact CE2-CB 4.44Å; F21-A71 HydrophobicContact CZ-CB 4.14Å; M26-A71 HydrophobicContact CB-CB 4.22Å; M26-A71 HydrophobicContact CG-CB 3.65Å; W28-A71 HydrophobicContact CZ2-CB 4.18Å; V64-A71 HydrophobicContact CG1-CB 4.19Å
72	Y	98.4	Very high	96.2	Very high	52 Å²	52	49.5 Å²	49.5	20%	0.204	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.7	176.6	-56.4	-89.9	0	0	0	111	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.38Å; K11-Y72 VanDerWaalsContact CE-CD1 3.46Å; K11-Y72 HydrophobicContact CG-CD1 4.34Å; L12-Y72 WeakPolarHBondContact O-CA 3.48Å; L12-Y72 WeakPolarHBondContact O-CB 3.38Å; S13-Y72 VanDerWaalsContact CB-CD1 3.43Å; L62-Y72 WeakPolarHBondContact CA-O 3.39Å; T63-Y72 PolarHBondContact N-O 3.43Å; T63-Y72 PolarHBondContact O-N 2.83Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.13Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å; T70-Y72 HydrophobicContact CG2-CD1 4.32Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.73Å; T70-Y72 HydrophobicContact CG2-CE2 3.75Å
73	M	98.3	Very high	96	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	120.7	167.7	178	172.9	68.6	0	0	108.9	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.7Å; L12-M73 PolarHBondContact N-O 2.78Å; L12-M73 PolarHBondContact O-N 3.24Å; W28-M73 HydrophobicContact CB-SD 3.9Å; W28-M73 HydrophobicContact CD2-CB 3.7Å; W28-M73 HydrophobicContact CD2-CE 4.24Å; W28-M73 HydrophobicContact CD2-CG 4.49Å; W28-M73 HydrophobicContact CD2-SD 4.09Å; W28-M73 HydrophobicContact CE3-CB 3.87Å; W28-M73 HydrophobicContact CE3-CE 3.67Å; W28-M73 HydrophobicContact CE3-SD 4.14Å; W28-M73 HydrophobicContact CG-CB 4.27Å; W28-M73 HydrophobicContact CG-SD 4.01Å; W28-M73 HydrophobicContact CH2-CB 4.05Å; W28-M73 HydrophobicContact CZ2-CB 3.91Å; W28-M73 HydrophobicContact CZ3-CB 4.04Å; W28-M73 HydrophobicContact CZ3-CE 4.24Å; I40-M73 HydrophobicContact CB-SD 4.48Å; I40-M73 HydrophobicContact CD1-CE 3.68Å; I40-M73 HydrophobicContact CD1-SD 3.59Å; I40-M73 VanDerWaalsContact CD1-SD 3.59Å; I40-M73 HydrophobicContact CG2-SD 3.85Å; A60-M73 HydrophobicContact CB-CG 4.43Å; A60-M73 HydrophobicContact CB-SD 4.39Å; T61-M73 WeakPolarHBondContact O-CA 3.31Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.05Å; M73-L75 HydrophobicContact CE-CD1 4.02Å; M73-L75 HydrophobicContact CE-CD2 4.43Å; M73-L75 HydrophobicContact CE-CG 4.18Å; M73-L75 HydrophobicContact CG-CD2 4.44Å; M73-L75 HydrophobicContact CG-CG 4.33Å; M73-L75 HydrophobicContact SD-CD2 4.23Å; M73-L75 HydrophobicContact SD-CG 4.45Å; M73-Y86 HydrophobicContact CE-CD1 3.55Å; M73-Y86 HydrophobicContact CE-CE1 3.94Å; M73-Y86 HydrophobicContact CE-CG 4.31Å
74	Q	98	Very high	95.9	Very high	81 Å²	81	52 Å²	52	38%	0.379	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	123.1	170.3	-177.3	173.3	-4.8	0	0	109.1	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.31Å; V10-Q74 WeakPolarHBondContact O-CA 3.39Å; A60-Q74 CarbonylContact C-O 3.55Å; A60-Q74 WeakPolarHBondContact CA-O 3.48Å; T61-Q74 PolarHBondContact N-O 2.82Å; T61-Q74 PolarHBondContact O-N 3.24Å
75	L	96.9	Very high	95.8	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131.2	171.8	-66.4	168	0	0	0	108.7	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.54Å; S9-L75 WeakPolarHBondContact CA-O 3.34Å; S9-L75 VanDerWaalsContact CB-O 3.29Å; S9-L75 WeakPolarHBondContact CB-O 3.29Å; V10-L75 HydrophobicContact CG1-CB 4.03Å; V10-L75 HydrophobicContact CG1-CD1 4.34Å; V10-L75 PolarHBondContact N-O 2.99Å; V10-L75 PolarHBondContact O-N 3.05Å; K59-L75 WeakPolarHBondContact O-CA 3.33Å; A60-L75 HydrophobicContact CB-CD2 3.85Å; M73-L75 HydrophobicContact CE-CD1 4.02Å; M73-L75 HydrophobicContact CE-CD2 4.43Å; M73-L75 HydrophobicContact CE-CG 4.18Å; M73-L75 HydrophobicContact CG-CD2 4.44Å; M73-L75 HydrophobicContact CG-CG 4.33Å; M73-L75 HydrophobicContact SD-CD2 4.23Å; M73-L75 HydrophobicContact SD-CG 4.45Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CD1-CD2 4.32Å; L75-Y86 HydrophobicContact CD1-CD1 4.42Å; L75-Y86 HydrophobicContact CD1-CE1 3.61Å; L75-Y86 HydrophobicContact CD1-CE2 4.27Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.37Å
76	S	95.8	Very high	95.8	Very high	33 Å²	33	53.7 Å²	53.7	23%	0.231	32%	0.317	C	S	.	.			trans	-112.4	158.6	-179.7	-56	0	0	0	0	112.1	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.39Å; S9-S76 PolarHBondContact OG-OG 2.81Å; K59-S76 WeakPolarHBondContact CE-O 3.16Å; K59-S76 WeakPolarHBondContact CG-O 3.34Å; K59-S76 PolarHBondContact O-N 2.88Å; S76-L78 PolarHBondContact O-N 2.94Å
77	S	94.6	Very high	95.9	Very high	83 Å²	83	53.4 Å²	53.4	58%	0.58	31%	0.314	S	S	*	.	S	Bend	trans	52.8	52.6	174.9	-54.9	0	0	0	0	112.4	A8 K59	A8-S77 PolarHBondContact O-N 2.9Å; K59-S77 WeakPolarHBondContact CE-O 3.25Å
78	L	94.6	Very high	96	Very high	14 Å²	14	50.7 Å²	50.7	7%	0.073	29%	0.294	C	S	.	.			trans	-64.6	140.4	-172.8	-68	170.4	0	0	0	112.5	V4 G7 A8 V10 L75 S76 D82	V4-L78 HydrophobicContact CB-CD1 4.37Å; V4-L78 HydrophobicContact CG2-CD1 3.39Å; G7-L78 PolarHBondContact N-O 3.29Å; A8-L78 WeakPolarHBondContact O-CB 3.34Å; A8-L78 VanDerWaalsContact O-CG 3.25Å; A8-L78 WeakPolarHBondContact O-CG 3.28Å; A8-L78 PolarHBondContact O-N 2.79Å; V10-L78 HydrophobicContact CB-CD1 3.99Å; V10-L78 HydrophobicContact CG1-CD1 3.73Å; V10-L78 HydrophobicContact CG1-CD2 4.41Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CD1-CD2 4.32Å; S76-L78 PolarHBondContact O-N 2.94Å; L78-D82 VanDerWaalsContact CA-OD2 3.29Å; L78-D82 WeakPolarHBondContact CA-OD2 3.3Å; L78-D82 HydrophobicContact CD2-CB 3.73Å
79	T	93.8	Very high	95.8	Very high	68 Å²	68	53.4 Å²	53.4	42%	0.417	32%	0.319	S	S	.	.			trans	-122.4	170.7	175.4	66.3	0	0	0	0	109.9	E81 D82	T79-E81 PolarHBondContact O-N 3.16Å; T79-E81 VanDerWaalsContact O-N 3.15Å; T79-D82 PolarHBondContact N-OD2 3.49Å; T79-D82 WeakPolarHBondContact O-CB 3.43Å; T79-D82 PolarHBondContact O-N 2.8Å; T79-D82 PolarHBondContact OG1-OD2 3.45Å
80	S	91.7	Very high	95.7	Very high	110 Å²	110	54.1 Å²	54.1	77%	0.769	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-56.1	-30	175.3	51.7	0	0	0	0	112.5	D82 S83	S80-D82 PolarHBondContact O-N 3.09Å; S80-S83 WeakPolarHBondContact O-CB 3.38Å; S80-S83 PolarHBondContact O-N 2.8Å
81	E	90.6	Very high	95.6	Very high	126 Å²	126	56.5 Å²	56.5	59%	0.589	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-65.4	-18.3	176.4	-66.9	-173	-174.4	0	0	113.7	K30 R32 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.39Å; K30-E81 PolarHBondContact NZ-O 3.38Å; R32-E81 PolarHBondContact NE-O 2.77Å; R32-E81 PolarHBondContact NH2-O 2.97Å; T79-E81 PolarHBondContact O-N 3.16Å; T79-E81 VanDerWaalsContact O-N 3.15Å; E81-S83 VanDerWaalsContact C-N 3.34Å
82	D	93.6	Very high	95.4	Very high	12 Å²	12	59.7 Å²	59.7	6%	0.064	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-83.9	-9.4	176.8	-56.4	-49.9	0	0	0	113.6	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.7Å; K59-D82 WeakPolarHBondContact CE-OD1 3.48Å; K59-D82 WeakPolarHBondContact CE-OD2 3.33Å; K59-D82 IonicContact NZ-OD1 2.86Å; K59-D82 PolarHBondContact NZ-OD1 3.32Å; K59-D82 IonicContact NZ-OD2 2.55Å; K59-D82 PolarHBondContact NZ-OD2 2.88Å; L78-D82 VanDerWaalsContact CA-OD2 3.29Å; L78-D82 WeakPolarHBondContact CA-OD2 3.3Å; L78-D82 HydrophobicContact CD2-CB 3.73Å; T79-D82 PolarHBondContact N-OD2 3.49Å; T79-D82 WeakPolarHBondContact O-CB 3.43Å; T79-D82 PolarHBondContact O-N 2.8Å; T79-D82 PolarHBondContact OG1-OD2 3.45Å; S80-D82 PolarHBondContact O-N 3.09Å; D82-A84 PolarHBondContact O-N 3.26Å; D82-Y86 WeakPolarHBondContact O-CE2 3.33Å; D82-Y86 PolarHBondContact O-OH 3.5Å
83	S	94.5	Very high	95.3	Very high	94 Å²	94	60.1 Å²	60.1	66%	0.657	36%	0.363	S	S	*	.			trans	-65	108.3	175.3	-167.8	0	0	0	0	110.2	S80 E81	S80-S83 WeakPolarHBondContact O-CB 3.38Å; S80-S83 PolarHBondContact O-N 2.8Å; E81-S83 VanDerWaalsContact C-N 3.34Å
84	A	95.7	Very high	95.1	Very high	28 Å²	28	63.9 Å²	63.9	23%	0.231	39%	0.386	C	S	.	.	S	Bend	trans	-164.8	167.7	-171.5	0	0	0	0	0	110.8	K30 Q31 R32 D82 Y86	K30-A84 HydrophobicContact CD-CB 4Å; K30-A84 VanDerWaalsContact CE-CB 3.44Å; K30-A84 HydrophobicContact CG-CB 3.37Å; Q31-A84 WeakPolarHBondContact O-CA 3.43Å; Q31-A84 VanDerWaalsContact O-CB 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.43Å; R32-A84 HydrophobicContact CG-CB 4.15Å; D82-A84 PolarHBondContact O-N 3.26Å; A84-Y86 HydrophobicContact CB-CE2 4.01Å; A84-Y86 WeakPolarHBondContact O-CD2 3.43Å
85	V	96.8	Very high	94.9	Very high	78 Å²	78	62.7 Å²	62.7	47%	0.473	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	136.5	162.5	-173.4	0	0	0	0	108.3	K30 Q31 Y87	K30-V85 CarbonylContact C-O 3.6Å; Q31-V85 PolarHBondContact N-O 3.14Å; Q31-V85 PolarHBondContact O-N 3.36Å; V85-Y87 HydrophobicContact CB-CE2 4.03Å; V85-Y87 HydrophobicContact CG1-CD1 4.42Å; V85-Y87 HydrophobicContact CG1-CD2 4.39Å; V85-Y87 HydrophobicContact CG1-CE1 3.75Å; V85-Y87 HydrophobicContact CG1-CE2 3.72Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.3Å
86	Y	97.5	Very high	94.7	Very high	50 Å²	50	67.1 Å²	67.1	20%	0.196	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.4	178.6	-70.4	-90.3	0	0	0	109.7	L12 V29 K30 I40 M73 L75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.21Å; L12-Y86 HydrophobicContact CD1-CD2 4.03Å; L12-Y86 HydrophobicContact CD1-CG 3.71Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.5Å; K30-Y86 HydrophobicContact CB-CD1 4.09Å; K30-Y86 HydrophobicContact CB-CE1 3.89Å; K30-Y86 HydrophobicContact CD-CE1 3.94Å; K30-Y86 HydrophobicContact CG-CD1 4.25Å; K30-Y86 HydrophobicContact CG-CE1 3.76Å; I40-Y86 HydrophobicContact CD1-CD1 3.77Å; I40-Y86 HydrophobicContact CD1-CE1 3.73Å; M73-Y86 HydrophobicContact CE-CD1 3.55Å; M73-Y86 HydrophobicContact CE-CE1 3.94Å; M73-Y86 HydrophobicContact CE-CG 4.31Å; L75-Y86 HydrophobicContact CD1-CD1 4.42Å; L75-Y86 HydrophobicContact CD1-CE1 3.61Å; L75-Y86 HydrophobicContact CD1-CE2 4.27Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.37Å; D82-Y86 WeakPolarHBondContact O-CE2 3.33Å; D82-Y86 PolarHBondContact O-OH 3.5Å; A84-Y86 HydrophobicContact CB-CE2 4.01Å; A84-Y86 WeakPolarHBondContact O-CD2 3.43Å
87	Y	97.8	Very high	94.7	Very high	100 Å²	100	69.8 Å²	69.8	39%	0.392	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	149.2	-179.2	-55.7	-82.9	0	0	0	110.3	W28 V29 Q31 L37 V85	W28-Y87 WeakPolarHBondContact CA-O 3.49Å; V29-Y87 PolarHBondContact N-O 2.92Å; V29-Y87 PolarHBondContact O-N 3.44Å; Q31-Y87 HydrophobicContact CB-CD2 4.45Å; Q31-Y87 HydrophobicContact CB-CE2 3.75Å; Q31-Y87 PolarHBondContact OE1-OH 2.62Å; L37-Y87 HydrophobicContact CD2-CD2 4.45Å; L37-Y87 HydrophobicContact CD2-CE2 4.38Å; V85-Y87 HydrophobicContact CB-CE2 4.03Å; V85-Y87 HydrophobicContact CG1-CD1 4.42Å; V85-Y87 HydrophobicContact CG1-CD2 4.39Å; V85-Y87 HydrophobicContact CG1-CE1 3.75Å; V85-Y87 HydrophobicContact CG1-CE2 3.72Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.3Å
88	C	96.9	Very high	94.7	Very high	51 Å²	51	68.7 Å²	68.7	35%	0.345	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	145.9	165.7	59.7	0	0	0	0	109.4	C14 M26 H27 W28	C14-C88 HydrophobicContact CB-CB 3.5Å; C14-C88 WeakPolarHBondContact CB-SG 2.88Å; C14-C88 WeakPolarHBondContact SG-CB 3.34Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.35Å; M26-C88 HydrophobicContact SD-CB 3.7Å; H27-C88 WeakPolarHBondContact O-CA 3.4Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.26Å
89	A	92.5	Very high	94.7	Very high	93 Å²	93	73.6 Å²	73.6	77%	0.769	45%	0.446	S	S	*	.			trans	-145.9	0	-178.2	0	0	0	0	0	111.4	M26 H27	M26-A89 CarbonylContact C-O 3.59Å; H27-A89 PolarHBondContact N-O 2.75Å; H27-A89 PolarHBondContact O-N 2.64Å; H27-A89 VanDerWaalsContact O-N 3.08Å

Retrieved 89 of 89 residues in 19.8 ms (Link to these results)

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