X5J4K5_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4K5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 91 aa.

						>X5J4K5_MOUSE|X5J4K5
AELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGQGLEWIGMIHPDSGSTNYNEKFKSKATLTVDKSSSTAYMQLSSLTSEDSAVYYCAPE
					

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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	66.3	Low	87.8	Confident	158 Å²	158	99.6 Å²	99.6	100%	1.306	60%	0.598	S	S	*	*				0	132.3	0	0	0	0	0	0	107.6
2	E	77.1	Confident	88.6	Confident	127 Å²	127	94.7 Å²	94.7	59%	0.593	57%	0.566	S	S	*	*			trans	-108	125.2	-179	-163.6	177.6	157.3	0	0	108.8	V4 V10	E2-V4 HydrophobicContact CG-CG1 4.02Å; E2-V10 VanDerWaalsContact CD-CG2 3.43Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.39Å; E2-V10 VanDerWaalsContact OE2-CG2 3.24Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.33Å
3	L	84.1	Confident	89.3	Confident	180 Å²	180	93.8 Å²	93.8	94%	0.942	57%	0.567	S	S	*	*			trans	-102.7	117.8	176.2	-73.5	166.5	0	0	0	108.1
4	V	88.3	Confident	89.9	Confident	61 Å²	61	88.1 Å²	88.1	37%	0.37	53%	0.533	S	S	.	.			trans	-122.7	147.4	-175.5	-68.4	0	0	0	0	110.2	E2 V10 L78	E2-V4 HydrophobicContact CG-CG1 4.02Å; V4-V10 HydrophobicContact CG1-CB 4.44Å; V4-L78 HydrophobicContact CB-CD1 4.28Å; V4-L78 HydrophobicContact CG2-CD1 3.42Å; V4-L78 VanDerWaalsContact CG2-CD1 3.42Å
5	K	88	Confident	90.4	Very high	172 Å²	172	92.6 Å²	92.6	75%	0.748	54%	0.543	S	S	*	.			trans	-70.9	147.3	177.5	-63.1	-178	-177.7	178.6	0	109.9	G7 A8	K5-G7 PolarHBondContact O-N 3.28Å; K5-A8 WeakPolarHBondContact O-CB 3.48Å; K5-A8 PolarHBondContact O-N 3.02Å; K5-A8 VanDerWaalsContact O-N 3.11Å
6	P	89.3	Confident	90.7	Very high	116 Å²	116	87.5 Å²	87.5	75%	0.753	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	141.3	169.3	-24.8	34.2	0	0	0	111.5	A8	P6-A8 PolarHBondContact O-N 3.26Å
7	G	90.9	Very high	91	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	-11.2	-176.5	0	0	0	0	0	115	K5 L78	K5-G7 PolarHBondContact O-N 3.28Å; G7-L78 PolarHBondContact N-O 2.79Å
8	A	94.2	Very high	91.1	Very high	36 Å²	36	88.5 Å²	88.5	30%	0.298	55%	0.549	S	S	.	.			trans	-71.7	170.3	174.1	0	0	0	0	0	111.7	K5 P6 S77 L78	K5-A8 WeakPolarHBondContact O-CB 3.48Å; K5-A8 PolarHBondContact O-N 3.02Å; K5-A8 VanDerWaalsContact O-N 3.11Å; P6-A8 PolarHBondContact O-N 3.26Å; A8-S77 PolarHBondContact O-N 3.14Å; A8-L78 WeakPolarHBondContact O-CB 2.89Å; A8-L78 VanDerWaalsContact O-CG 3.26Å; A8-L78 WeakPolarHBondContact O-CG 3.43Å; A8-L78 PolarHBondContact O-N 3.1Å
9	S	95.3	Very high	91.2	Very high	62 Å²	62	87.6 Å²	87.6	43%	0.434	54%	0.535	S	S	.	.			trans	-113.6	147.6	170.8	-55.5	0	0	0	0	109.9	L75 S76	S9-L75 CarbonylContact C-O 3.55Å; S9-L75 WeakPolarHBondContact CA-O 3.39Å; S9-L75 WeakPolarHBondContact CB-O 3.5Å; S9-S76 WeakPolarHBondContact OG-CA 3.27Å
10	V	95.7	Very high	91.4	Very high	15 Å²	15	87.5 Å²	87.5	9%	0.091	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.6	174.8	68.2	0	0	0	0	109.9	E2 V4 L12 Q74 L75 L78	E2-V10 VanDerWaalsContact CD-CG2 3.43Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.39Å; E2-V10 VanDerWaalsContact OE2-CG2 3.24Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.33Å; V4-V10 HydrophobicContact CG1-CB 4.44Å; V10-L12 HydrophobicContact CG2-CD2 4.26Å; V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.18Å; V10-L75 HydrophobicContact CG1-CB 4.03Å; V10-L75 HydrophobicContact CG1-CD1 4.33Å; V10-L75 PolarHBondContact N-O 2.91Å; V10-L75 PolarHBondContact O-N 2.95Å; V10-L78 HydrophobicContact CB-CD1 4.01Å; V10-L78 HydrophobicContact CG1-CD1 3.75Å; V10-L78 HydrophobicContact CG1-CD2 4.43Å
11	K	96.9	Very high	91.6	Very high	117 Å²	117	83.6 Å²	83.6	51%	0.509	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	109.5	173.9	-173.9	176.6	179.7	-179.6	0	109.7	Y72	K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CD1 3.42Å; K11-Y72 VanDerWaalsContact CE-CG 3.48Å; K11-Y72 HydrophobicContact CG-CD1 4.35Å
12	L	97.3	Very high	93.1	Very high	40 Å²	40	78.4 Å²	78.4	21%	0.209	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	147.3	174.3	-58.8	176.9	0	0	0	109.8	V10 W28 Y72 M73 Y86	V10-L12 HydrophobicContact CG2-CD2 4.26Å; L12-W28 HydrophobicContact CB-CH2 4.17Å; L12-W28 HydrophobicContact CB-CZ3 3.97Å; L12-Y72 WeakPolarHBondContact O-CA 3.33Å; L12-Y72 WeakPolarHBondContact O-CB 3.39Å; L12-M73 HydrophobicContact CD1-CE 3.67Å; L12-M73 PolarHBondContact N-O 2.79Å; L12-M73 PolarHBondContact O-N 3.04Å; L12-Y86 HydrophobicContact CD1-CD1 4.29Å; L12-Y86 HydrophobicContact CD1-CD2 4.04Å; L12-Y86 HydrophobicContact CD1-CG 3.73Å
13	S	97.8	Very high	94	Very high	84 Å²	84	75.9 Å²	75.9	59%	0.587	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125	145.6	177.7	67.9	0	0	0	0	110.7	A71 Y72	S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.34Å; S13-Y72 VanDerWaalsContact CB-CD1 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.43Å
14	C	97.7	Very high	94.6	Very high	13 Å²	13	72.3 Å²	72.3	9%	0.088	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	106.2	178.9	-178.3	0	0	0	0	109.1	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.68Å; C14-W28 HydrophobicContact CB-CZ2 3.82Å; C14-T70 CarbonylContact O-C 3.59Å; C14-T70 WeakPolarHBondContact O-CA 3.39Å; C14-A71 PolarHBondContact N-O 3.16Å; C14-A71 PolarHBondContact O-N 3.15Å; C14-C88 HydrophobicContact CB-CB 3.53Å; C14-C88 WeakPolarHBondContact CB-SG 3.06Å; C14-C88 WeakPolarHBondContact SG-CB 3.47Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.33Å
15	K	97.4	Very high	95	Very high	156 Å²	156	72.6 Å²	72.6	68%	0.678	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	120.7	179.8	-171.8	173.9	-176.6	177.6	0	109.9
16	A	95.5	Very high	95.5	Very high	11 Å²	11	64.5 Å²	64.5	9%	0.091	39%	0.393	C	S	.	.			trans	-77.4	147.4	175.6	0	0	0	0	0	111.2	Y19 F21 M26 S69	A16-Y19 HydrophobicContact CB-CE1 3.97Å; A16-Y19 HydrophobicContact CB-CE2 4.23Å; A16-Y19 VanDerWaalsContact CB-OH 3.3Å; A16-Y19 WeakPolarHBondContact CB-OH 3.48Å; A16-F21 HydrophobicContact CB-CB 4.04Å; A16-F21 HydrophobicContact CB-CD2 3.35Å; A16-F21 HydrophobicContact CB-CE2 4.06Å; A16-F21 HydrophobicContact CB-CG 3.96Å; A16-M26 HydrophobicContact CB-CE 4.49Å; A16-S69 PolarHBondContact N-O 3.5Å
17	S	94.6	Very high	95.9	Very high	102 Å²	102	60.9 Å²	60.9	71%	0.713	37%	0.366	S	S	*	.			trans	-154.4	150.9	173	64	0	0	0	0	110.1	Y19	S17-Y19 VanDerWaalsContact O-CD1 3.28Å; S17-Y19 WeakPolarHBondContact O-CD1 3.37Å
18	G	94.1	Very high	96.3	Very high	91 Å²	91	58.7 Å²	58.7	94%	0.938	34%	0.341	S	S	*	.	S	Bend	trans	84.8	2.5	177.4	0	0	0	0	0	115.8
19	Y	92.2	Very high	96.4	Very high	71 Å²	71	58.3 Å²	58.3	28%	0.278	34%	0.335	S	S	.	.	S	Bend	trans	-154.2	167.7	176.1	63.8	-84.3	0	0	0	111.4	A16 S17 F21 Y24 M26 P90	A16-Y19 HydrophobicContact CB-CE1 3.97Å; A16-Y19 HydrophobicContact CB-CE2 4.23Å; A16-Y19 VanDerWaalsContact CB-OH 3.3Å; A16-Y19 WeakPolarHBondContact CB-OH 3.48Å; S17-Y19 VanDerWaalsContact O-CD1 3.28Å; S17-Y19 WeakPolarHBondContact O-CD1 3.37Å; Y19-F21 PolarHBondContact O-N 3.19Å; Y19-F21 VanDerWaalsContact O-N 3.08Å; Y19-Y24 AromaticContact CD2-CD2 3.53Å; Y19-Y24 HydrophobicContact CD2-CD2 3.53Å; Y19-Y24 AromaticContact CD2-CE2 4Å; Y19-Y24 HydrophobicContact CD2-CE2 4Å; Y19-Y24 HydrophobicContact CD2-CG 4.31Å; Y19-Y24 HydrophobicContact CE2-CD2 4.02Å; Y19-Y24 HydrophobicContact CE2-CG 4.42Å; Y19-Y24 HydrophobicContact CG-CD2 4.49Å; Y19-M26 WeakPolarHBondContact OH-CE 3.31Å; Y19-P90 HydrophobicContact CE1-CB 4.41Å; Y19-P90 HydrophobicContact CE1-CG 4.11Å; Y19-P90 HydrophobicContact CE2-CB 4.01Å
20	T	95.8	Very high	96.5	Very high	85 Å²	85	55.5 Å²	55.5	52%	0.521	32%	0.315	S	S	.	.			trans	-72.2	99	174.4	-54.3	0	0	0	0	109.7	T22 S23	T20-T22 PolarHBondContact O-N 3.26Å; T20-T22 VanDerWaalsContact O-N 3.1Å; T20-S23 WeakPolarHBondContact CB-OG 3.22Å; T20-S23 VanDerWaalsContact CG2-OG 3.27Å; T20-S23 WeakPolarHBondContact CG2-OG 3.24Å; T20-S23 WeakPolarHBondContact O-CB 3.43Å; T20-S23 PolarHBondContact O-N 2.81Å
21	F	95.9	Very high	96.6	Very high	7 Å²	7	58 Å²	58	3%	0.031	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-51.7	-37.1	-175.1	174.9	-122.6	0	0	0	113.9	A16 Y19 S23 M26 P45 V64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.04Å; A16-F21 HydrophobicContact CB-CD2 3.35Å; A16-F21 HydrophobicContact CB-CE2 4.06Å; A16-F21 HydrophobicContact CB-CG 3.96Å; Y19-F21 PolarHBondContact O-N 3.19Å; Y19-F21 VanDerWaalsContact O-N 3.08Å; F21-S23 PolarHBondContact O-N 2.8Å; F21-M26 HydrophobicContact CD2-CE 4.37Å; F21-M26 HydrophobicContact CE2-CE 3.9Å; F21-P45 HydrophobicContact CD1-CB 3.84Å; F21-P45 HydrophobicContact CD1-CG 4.43Å; F21-P45 HydrophobicContact CD2-CB 4.35Å; F21-P45 HydrophobicContact CD2-CG 4.06Å; F21-P45 HydrophobicContact CE1-CB 3.5Å; F21-P45 VanDerWaalsContact CE1-CB 3.5Å; F21-P45 HydrophobicContact CE1-CG 4.09Å; F21-P45 HydrophobicContact CE2-CB 4.03Å; F21-P45 HydrophobicContact CE2-CG 3.66Å; F21-P45 HydrophobicContact CG-CB 4.28Å; F21-P45 HydrophobicContact CG-CG 4.45Å; F21-P45 HydrophobicContact CZ-CB 3.61Å; F21-P45 HydrophobicContact CZ-CG 3.69Å; F21-P45 WeakPolarHBondContact O-CG 3.03Å; F21-V64 HydrophobicContact CZ-CB 4.48Å; F21-V64 HydrophobicContact CZ-CG1 4.13Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; F21-A71 HydrophobicContact CE2-CB 4.33Å; F21-A71 HydrophobicContact CZ-CB 4.1Å
22	T	97	Very high	96.4	Very high	48 Å²	48	54.8 Å²	54.8	29%	0.294	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-74.3	-7.2	-179.3	48.6	0	0	0	0	114.7	T20 D46	T20-T22 PolarHBondContact O-N 3.26Å; T20-T22 VanDerWaalsContact O-N 3.1Å; T22-D46 HydrophobicContact CG2-CB 4.44Å; T22-D46 WeakPolarHBondContact O-CB 3.49Å
23	S	96.1	Very high	96.1	Very high	74 Å²	74	58.6 Å²	58.6	52%	0.517	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-95	-8	-177	-59.6	0	0	0	0	114.5	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.22Å; T20-S23 VanDerWaalsContact CG2-OG 3.27Å; T20-S23 WeakPolarHBondContact CG2-OG 3.24Å; T20-S23 WeakPolarHBondContact O-CB 3.43Å; T20-S23 PolarHBondContact O-N 2.81Å; F21-S23 PolarHBondContact O-N 2.8Å
24	Y	95.6	Very high	95.9	Very high	106 Å²	106	59.1 Å²	59.1	42%	0.416	36%	0.356	S	S	.	.	S	Bend	trans	-131.7	143	-172.8	-63.7	-92.6	0	0	0	111	Y19 P45 E91	Y19-Y24 AromaticContact CD2-CD2 3.53Å; Y19-Y24 HydrophobicContact CD2-CD2 3.53Å; Y19-Y24 AromaticContact CD2-CE2 4Å; Y19-Y24 HydrophobicContact CD2-CE2 4Å; Y19-Y24 HydrophobicContact CD2-CG 4.31Å; Y19-Y24 HydrophobicContact CE2-CD2 4.02Å; Y19-Y24 HydrophobicContact CE2-CG 4.42Å; Y19-Y24 HydrophobicContact CG-CD2 4.49Å; Y24-P45 WeakPolarHBondContact O-CD 2.94Å; Y24-P45 WeakPolarHBondContact O-CG 3.32Å; Y24-E91 WeakPolarHBondContact CD1-O 3.46Å
25	W	97.9	Very high	95.6	Very high	67 Å²	67	63.2 Å²	63.2	25%	0.254	37%	0.374	S	S	.	.			trans	-66.1	139.1	169	-70.4	87.3	0	0	0	110.4	M42 I43 H44 S49 P90 E91	W25-M42 HydrophobicContact CB-CE 3.79Å; W25-M42 HydrophobicContact CD2-CE 3.2Å; W25-M42 HydrophobicContact CD2-CG 4.49Å; W25-M42 HydrophobicContact CE3-CB 4.09Å; W25-M42 HydrophobicContact CE3-CE 3.31Å; W25-M42 HydrophobicContact CE3-CG 3.64Å; W25-M42 HydrophobicContact CE3-SD 4.31Å; W25-M42 HydrophobicContact CG-CE 3.42Å; W25-M42 VanDerWaalsContact CG-CE 3.42Å; W25-M42 HydrophobicContact CH2-CE 4.42Å; W25-M42 HydrophobicContact CZ2-CE 4.36Å; W25-M42 HydrophobicContact CZ3-CE 3.94Å; W25-M42 HydrophobicContact CZ3-CG 3.98Å; W25-I43 VanDerWaalsContact CE3-C 3.4Å; W25-H44 AromaticContact CD1-CD2 3.89Å; W25-H44 HydrophobicContact CD2-CB 3.65Å; W25-H44 AromaticContact CD2-CD2 3.99Å; W25-H44 AromaticContact CE2-CD2 3.77Å; W25-H44 AromaticContact CE2-CG 3.96Å; W25-H44 HydrophobicContact CE3-CB 3.58Å; W25-H44 HydrophobicContact CG-CB 4.48Å; W25-H44 HydrophobicContact CH2-CB 3.64Å; W25-H44 HydrophobicContact CZ2-CB 3.69Å; W25-H44 HydrophobicContact CZ3-CB 3.6Å; W25-H44 VanDerWaalsContact CZ3-N 3.32Å; W25-H44 AromaticContact NE1-CD2 3.65Å; W25-S49 WeakPolarHBondContact CZ3-O 3.34Å; W25-P90 CarbonylContact O-C 3.56Å; W25-P90 WeakPolarHBondContact O-CA 3.2Å; W25-E91 HydrophobicContact CB-CB 4.32Å; W25-E91 VanDerWaalsContact CD1-OE2 3.26Å; W25-E91 PolarHBondContact O-N 2.85Å
26	M	98.1	Very high	95.3	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.01	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	113.3	171.5	-176.6	63.1	67	0	0	109.2	A16 Y19 F21 M42 I43 A71 C88 A89	A16-M26 HydrophobicContact CB-CE 4.49Å; Y19-M26 WeakPolarHBondContact OH-CE 3.31Å; F21-M26 HydrophobicContact CD2-CE 4.37Å; F21-M26 HydrophobicContact CE2-CE 3.9Å; M26-M42 CarbonylContact O-C 3.59Å; M26-M42 WeakPolarHBondContact O-CA 3.06Å; M26-I43 HydrophobicContact CB-CG2 4.15Å; M26-I43 PolarHBondContact N-O 3Å; M26-I43 PolarHBondContact O-N 3.11Å; M26-A71 HydrophobicContact CB-CB 4.18Å; M26-A71 HydrophobicContact CG-CB 3.69Å; M26-C88 HydrophobicContact SD-CB 3.85Å; M26-A89 VanDerWaalsContact SD-C 3.56Å
27	H	98.3	Very high	95.3	Very high	40 Å²	40	63.5 Å²	63.5	19%	0.185	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	145	176.8	-69.2	-103.2	0	0	0	111	W39 C88 A89	H27-W39 AromaticContact ND1-CD1 3.94Å; H27-W39 AromaticContact ND1-NE1 3.26Å; H27-W39 PolarHBondContact ND1-NE1 2.55Å; H27-C88 WeakPolarHBondContact O-CA 3.42Å; H27-A89 PolarHBondContact N-O 2.67Å; H27-A89 PolarHBondContact O-N 3.25Å; H27-A89 VanDerWaalsContact O-N 3.11Å
28	W	98.5	Very high	95.4	Very high	6 Å²	6	60.4 Å²	60.4	2%	0.023	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.2	172	-69.8	87.9	0	0	0	110.3	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.17Å; L12-W28 HydrophobicContact CB-CZ3 3.97Å; C14-W28 HydrophobicContact CB-CH2 3.68Å; C14-W28 HydrophobicContact CB-CZ2 3.82Å; W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.36Å; W28-I40 WeakPolarHBondContact O-CB 3.26Å; W28-I40 PolarHBondContact O-N 2.83Å; W28-G41 PolarHBondContact N-O 2.91Å; W28-L62 HydrophobicContact CG-CD2 4.03Å; W28-A71 HydrophobicContact CZ2-CB 4.19Å; W28-M73 HydrophobicContact CB-SD 3.95Å; W28-M73 HydrophobicContact CD2-CB 3.7Å; W28-M73 HydrophobicContact CD2-CE 4.39Å; W28-M73 HydrophobicContact CD2-CG 4.48Å; W28-M73 HydrophobicContact CD2-SD 4.11Å; W28-M73 HydrophobicContact CE3-CB 3.8Å; W28-M73 HydrophobicContact CE3-CE 3.77Å; W28-M73 HydrophobicContact CE3-SD 4.09Å; W28-M73 HydrophobicContact CG-CB 4.31Å; W28-M73 HydrophobicContact CG-SD 4.07Å; W28-M73 HydrophobicContact CH2-CB 3.99Å; W28-M73 HydrophobicContact CZ2-CB 3.91Å; W28-M73 HydrophobicContact CZ3-CB 3.95Å; W28-M73 HydrophobicContact CZ3-CE 4.3Å; W28-Y87 WeakPolarHBondContact CA-O 3.32Å; W28-C88 HydrophobicContact CD2-CB 4.28Å; W28-C88 HydrophobicContact CE3-CB 4.12Å; W28-C88 HydrophobicContact CH2-CB 4.27Å; W28-C88 HydrophobicContact CZ2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.12Å
29	V	97.9	Very high	95.6	Very high	28 Å²	28	59.8 Å²	59.8	17%	0.17	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	140.4	-173.6	-174	0	0	0	0	109.7	L37 E38 Y86 Y87	V29-L37 HydrophobicContact CG1-CB 3.73Å; V29-L37 HydrophobicContact CG1-CD2 3.74Å; V29-L37 HydrophobicContact CG1-CG 4.22Å; V29-E38 WeakPolarHBondContact CA-O 3.15Å; V29-E38 WeakPolarHBondContact CG1-O 3.2Å; V29-Y86 CarbonylContact O-C 3.56Å; V29-Y86 WeakPolarHBondContact O-CA 3.19Å; V29-Y87 PolarHBondContact N-O 3.47Å; V29-Y87 PolarHBondContact O-N 2.64Å
30	K	96.7	Very high	95.9	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.009	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.4	174.7	-178.8	-178.5	-178.4	177.3	0	109.9	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 2.79Å; K30-E38 PolarHBondContact O-N 2.98Å; K30-I40 HydrophobicContact CB-CD1 3.98Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; K30-F56 HydrophobicContact CD-CE1 3.99Å; K30-F56 HydrophobicContact CD-CZ 4.09Å; K30-E81 WeakPolarHBondContact CE-O 3.36Å; K30-E81 PolarHBondContact NZ-O 3.2Å; K30-D82 IonicContact NZ-OD1 3.37Å; K30-A84 HydrophobicContact CD-CB 4.16Å; K30-A84 HydrophobicContact CG-CB 3.49Å; K30-A84 VanDerWaalsContact CG-CB 3.49Å; K30-Y86 HydrophobicContact CB-CD1 4.14Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 4.03Å; K30-Y86 HydrophobicContact CG-CD1 4.33Å; K30-Y86 HydrophobicContact CG-CE1 3.77Å
31	Q	96.6	Very high	96	Very high	68 Å²	68	52.4 Å²	52.4	32%	0.318	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	117.2	172	-165.8	-178.2	30.7	0	0	110.5	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.85Å; Q31-L37 HydrophobicContact CG-CD2 3.97Å; Q31-A84 WeakPolarHBondContact O-CA 3.34Å; Q31-A84 WeakPolarHBondContact O-CB 3.4Å; Q31-V85 PolarHBondContact N-O 2.74Å; Q31-V85 PolarHBondContact O-N 2.96Å; Q31-Y87 HydrophobicContact CB-CD2 4.34Å; Q31-Y87 HydrophobicContact CB-CE2 3.75Å; Q31-Y87 PolarHBondContact OE1-OH 2.8Å
32	R	94.1	Very high	96.1	Very high	49 Å²	49	53.5 Å²	53.5	19%	0.185	31%	0.305	C	S	.	.			trans	-90.2	148.3	169.8	-62.1	-167.3	-170.4	102.3	-5.3	110.5	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.83Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.05Å; R32-Q35 PolarHBondContact O-N 2.84Å; R32-E38 IonicContact CZ-OE2 3.71Å; R32-E38 IonicContact NH1-OE2 3.58Å; R32-E38 PolarHBondContact NH1-OE2 3.43Å; R32-E38 IonicContact NH2-OE2 2.55Å; R32-E81 PolarHBondContact NE-O 2.88Å; R32-E81 PolarHBondContact NH2-O 2.98Å; R32-A84 HydrophobicContact CG-CB 4.11Å
33	P	91.3	Very high	96.2	Very high	120 Å²	120	51.4 Å²	51.4	78%	0.779	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	127.6	171.8	-24.6	33.9	0	0	0	111.2	Q35	P33-Q35 PolarHBondContact O-N 2.65Å
34	G	91.9	Very high	96.3	Very high	95 Å²	95	49.5 Å²	49.5	98%	0.979	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	4.8	-179.5	0	0	0	0	0	115.6	R32	R32-G34 PolarHBondContact O-N 2.83Å
35	Q	91.4	Very high	96.4	Very high	100 Å²	100	44.5 Å²	44.5	47%	0.467	26%	0.255	S	S	.	.	S	Bend	trans	-115.6	161.3	173.7	-57.4	-175.3	4.3	0	0	111	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.05Å; R32-Q35 PolarHBondContact O-N 2.84Å; P33-Q35 PolarHBondContact O-N 2.65Å
36	G	92.7	Very high	96.4	Very high	55 Å²	55	45.4 Å²	45.4	57%	0.567	27%	0.265	S	S	*	.			trans	-68.6	177.5	173	0	0	0	0	0	113.2
37	L	95.7	Very high	96.4	Very high	118 Å²	118	48.7 Å²	48.7	62%	0.618	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	127.1	172	-67.7	172.1	0	0	0	110.1	V29 Q31 Y87	V29-L37 HydrophobicContact CG1-CB 3.73Å; V29-L37 HydrophobicContact CG1-CD2 3.74Å; V29-L37 HydrophobicContact CG1-CG 4.22Å; Q31-L37 HydrophobicContact CB-CD2 3.85Å; Q31-L37 HydrophobicContact CG-CD2 3.97Å; L37-Y87 HydrophobicContact CD2-CD2 4.45Å
38	E	96.8	Very high	96.3	Very high	36 Å²	36	48.5 Å²	48.5	17%	0.168	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	113.9	173	-64.4	-168.7	92.2	0	0	109.3	V29 K30 R32 I40 K55 F56	V29-E38 WeakPolarHBondContact CA-O 3.15Å; V29-E38 WeakPolarHBondContact CG1-O 3.2Å; K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 2.79Å; K30-E38 PolarHBondContact O-N 2.98Å; R32-E38 IonicContact CZ-OE2 3.71Å; R32-E38 IonicContact NH1-OE2 3.58Å; R32-E38 PolarHBondContact NH1-OE2 3.43Å; R32-E38 IonicContact NH2-OE2 2.55Å; E38-I40 PolarHBondContact O-N 2.76Å; E38-K55 IonicContact OE1-NZ 3.51Å; E38-F56 HydrophobicContact CB-CE2 4.4Å; E38-F56 HydrophobicContact CB-CZ 4.29Å
39	W	97.7	Very high	96.3	Very high	79 Å²	79	51 Å²	51	30%	0.299	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	128.6	174.9	-179.2	74.5	0	0	0	110.6	H27 G41 M42 N51 N53	H27-W39 AromaticContact ND1-CD1 3.94Å; H27-W39 AromaticContact ND1-NE1 3.26Å; H27-W39 PolarHBondContact ND1-NE1 2.55Å; W39-G41 PolarHBondContact NE1-O 3.48Å; W39-M42 HydrophobicContact CZ2-CB 4.07Å; W39-M42 HydrophobicContact CZ2-CG 3.81Å; W39-M42 HydrophobicContact CZ2-SD 3.79Å; W39-N51 HydrophobicContact CH2-CB 4.36Å; W39-N53 HydrophobicContact CE3-CB 3.76Å; W39-N53 HydrophobicContact CZ3-CB 3.93Å; W39-N53 VanDerWaalsContact CZ3-N 3.35Å; W39-N53 VanDerWaalsContact O-CB 3.22Å; W39-N53 WeakPolarHBondContact O-CB 3.44Å; W39-N53 PolarHBondContact O-ND2 2.88Å
40	I	98.2	Very high	96.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-48.7	-177.2	-58.4	174.8	0	0	0	110.2	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.36Å; W28-I40 WeakPolarHBondContact O-CB 3.26Å; W28-I40 PolarHBondContact O-N 2.83Å; K30-I40 HydrophobicContact CB-CD1 3.98Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; E38-I40 PolarHBondContact O-N 2.76Å; I40-N53 PolarHBondContact O-N 3.26Å; I40-F56 HydrophobicContact CB-CD2 4.36Å; I40-F56 HydrophobicContact CB-CG 4.31Å; I40-F56 HydrophobicContact CG1-CD1 4.33Å; I40-F56 HydrophobicContact CG1-CD2 4.35Å; I40-F56 HydrophobicContact CG1-CE1 4.32Å; I40-F56 HydrophobicContact CG1-CE2 4.33Å; I40-F56 HydrophobicContact CG1-CG 4.34Å; I40-F56 HydrophobicContact CG1-CZ 4.32Å; I40-F56 HydrophobicContact CG2-CB 3.71Å; I40-F56 HydrophobicContact CG2-CD1 4.21Å; I40-F56 HydrophobicContact CG2-CD2 4.36Å; I40-F56 HydrophobicContact CG2-CG 3.85Å; I40-A60 HydrophobicContact CG2-CB 3.81Å; I40-M73 HydrophobicContact CD1-CE 3.75Å; I40-M73 HydrophobicContact CD1-SD 3.65Å; I40-M73 HydrophobicContact CG2-SD 3.85Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.84Å
41	G	98.3	Very high	96.4	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	170.8	179	-171.7	0	0	0	0	0	112	W28 W39 N51	W28-G41 PolarHBondContact N-O 2.91Å; W39-G41 PolarHBondContact NE1-O 3.48Å; G41-N51 CarbonylContact C-O 3.51Å; G41-N51 WeakPolarHBondContact CA-O 3.43Å
42	M	98.4	Very high	96.4	Very high	30 Å²	30	55.6 Å²	55.6	15%	0.148	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	151.8	176.1	63.7	-159.6	-92.3	0	0	110.7	W25 M26 W39 T50 N51	W25-M42 HydrophobicContact CB-CE 3.79Å; W25-M42 HydrophobicContact CD2-CE 3.2Å; W25-M42 HydrophobicContact CD2-CG 4.49Å; W25-M42 HydrophobicContact CE3-CB 4.09Å; W25-M42 HydrophobicContact CE3-CE 3.31Å; W25-M42 HydrophobicContact CE3-CG 3.64Å; W25-M42 HydrophobicContact CE3-SD 4.31Å; W25-M42 HydrophobicContact CG-CE 3.42Å; W25-M42 VanDerWaalsContact CG-CE 3.42Å; W25-M42 HydrophobicContact CH2-CE 4.42Å; W25-M42 HydrophobicContact CZ2-CE 4.36Å; W25-M42 HydrophobicContact CZ3-CE 3.94Å; W25-M42 HydrophobicContact CZ3-CG 3.98Å; M26-M42 CarbonylContact O-C 3.59Å; M26-M42 WeakPolarHBondContact O-CA 3.06Å; W39-M42 HydrophobicContact CZ2-CB 4.07Å; W39-M42 HydrophobicContact CZ2-CG 3.81Å; W39-M42 HydrophobicContact CZ2-SD 3.79Å; M42-T50 VanDerWaalsContact O-CA 3.32Å; M42-T50 WeakPolarHBondContact O-CA 3.4Å; M42-N51 HydrophobicContact CG-CB 4.02Å; M42-N51 PolarHBondContact N-O 3.13Å; M42-N51 PolarHBondContact O-N 2.01Å; M42-N51 HydrophobicContact SD-CB 4.47Å
43	I	98.6	Very high	96.6	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.021	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132	174.3	-175.8	160.4	0	0	0	109.8	W25 M26 P45 S49 T50 L62 V64	W25-I43 VanDerWaalsContact CE3-C 3.4Å; M26-I43 HydrophobicContact CB-CG2 4.15Å; M26-I43 PolarHBondContact N-O 3Å; M26-I43 PolarHBondContact O-N 3.11Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.28Å; I43-S49 CarbonylContact C-O 3.58Å; I43-S49 WeakPolarHBondContact CA-O 3.25Å; I43-T50 HydrophobicContact CB-CG2 4.08Å; I43-T50 HydrophobicContact CD1-CG2 3.72Å; I43-T50 HydrophobicContact CG1-CG2 3.85Å; I43-L62 HydrophobicContact CB-CB 4.03Å; I43-L62 HydrophobicContact CB-CD1 4.21Å; I43-L62 HydrophobicContact CD1-CB 4.08Å; I43-L62 HydrophobicContact CG2-CB 4.24Å; I43-L62 HydrophobicContact CG2-CD1 4.49Å; I43-V64 HydrophobicContact CD1-CG1 3.82Å; I43-V64 HydrophobicContact CD1-CG2 4.37Å; I43-V64 HydrophobicContact CG1-CG1 3.99Å; I43-V64 HydrophobicContact CG2-CG1 3.85Å
44	H	98.1	Very high	96.8	Very high	35 Å²	35	55.9 Å²	55.9	16%	0.162	34%	0.336	C	S	.	.			trans	-83.6	114.1	172.8	-171.1	-115	0	0	0	108.3	W25 D46 S47 G48 S49	W25-H44 AromaticContact CD1-CD2 3.89Å; W25-H44 HydrophobicContact CD2-CB 3.65Å; W25-H44 AromaticContact CD2-CD2 3.99Å; W25-H44 AromaticContact CE2-CD2 3.77Å; W25-H44 AromaticContact CE2-CG 3.96Å; W25-H44 HydrophobicContact CE3-CB 3.58Å; W25-H44 HydrophobicContact CG-CB 4.48Å; W25-H44 HydrophobicContact CH2-CB 3.64Å; W25-H44 HydrophobicContact CZ2-CB 3.69Å; W25-H44 HydrophobicContact CZ3-CB 3.6Å; W25-H44 VanDerWaalsContact CZ3-N 3.32Å; W25-H44 AromaticContact NE1-CD2 3.65Å; H44-D46 PolarHBondContact O-N 2.82Å; H44-S47 WeakPolarHBondContact CB-OG 3.38Å; H44-S47 PolarHBondContact ND1-N 2.79Å; H44-S47 PolarHBondContact ND1-OG 3Å; H44-S47 PolarHBondContact O-N 3.11Å; H44-G48 VanDerWaalsContact O-CA 3.29Å; H44-G48 WeakPolarHBondContact O-CA 3.29Å; H44-G48 PolarHBondContact O-N 2.91Å; H44-S49 PolarHBondContact N-O 3.5Å
45	P	97.6	Very high	96.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-24.5	-170	-24.3	36.9	0	0	0	114	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.84Å; F21-P45 HydrophobicContact CD1-CG 4.43Å; F21-P45 HydrophobicContact CD2-CB 4.35Å; F21-P45 HydrophobicContact CD2-CG 4.06Å; F21-P45 HydrophobicContact CE1-CB 3.5Å; F21-P45 VanDerWaalsContact CE1-CB 3.5Å; F21-P45 HydrophobicContact CE1-CG 4.09Å; F21-P45 HydrophobicContact CE2-CB 4.03Å; F21-P45 HydrophobicContact CE2-CG 3.66Å; F21-P45 HydrophobicContact CG-CB 4.28Å; F21-P45 HydrophobicContact CG-CG 4.45Å; F21-P45 HydrophobicContact CZ-CB 3.61Å; F21-P45 HydrophobicContact CZ-CG 3.69Å; F21-P45 WeakPolarHBondContact O-CG 3.03Å; Y24-P45 WeakPolarHBondContact O-CD 2.94Å; Y24-P45 WeakPolarHBondContact O-CG 3.32Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.28Å; P45-V64 HydrophobicContact CB-CG1 4.14Å; P45-V64 HydrophobicContact CG-CG1 4.43Å; P45-K66 WeakPolarHBondContact O-CE 3.46Å
46	D	97.4	Very high	97.2	Very high	86 Å²	86	54.1 Å²	54.1	46%	0.46	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-51.2	176.8	-168.7	34.3	0	0	0	113.3	T22 H44 K66	T22-D46 HydrophobicContact CG2-CB 4.44Å; T22-D46 WeakPolarHBondContact O-CB 3.49Å; H44-D46 PolarHBondContact O-N 2.82Å; D46-K66 WeakPolarHBondContact O-CE 3.32Å; D46-K66 PolarHBondContact O-NZ 3Å; D46-K66 IonicContact OD1-NZ 2.8Å; D46-K66 PolarHBondContact OD1-NZ 2.81Å
47	S	97.4	Very high	97.2	Very high	71 Å²	71	56.9 Å²	56.9	50%	0.497	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-15.8	-176.5	61.5	0	0	0	0	113.4	H44 S49	H44-S47 WeakPolarHBondContact CB-OG 3.38Å; H44-S47 PolarHBondContact ND1-N 2.79Å; H44-S47 PolarHBondContact ND1-OG 3Å; H44-S47 PolarHBondContact O-N 3.11Å; S47-S49 WeakPolarHBondContact CB-OG 2.97Å; S47-S49 PolarHBondContact O-N 3.4Å; S47-S49 WeakPolarHBondContact OG-CB 3.3Å; S47-S49 PolarHBondContact OG-N 3.31Å; S47-S49 PolarHBondContact OG-OG 2.94Å
48	G	96.9	Very high	97.2	Very high	37 Å²	37	56.9 Å²	56.9	38%	0.381	31%	0.306	S	S	.	.			trans	69	6.6	-170.3	0	0	0	0	0	113.5	H44 T50	H44-G48 VanDerWaalsContact O-CA 3.29Å; H44-G48 WeakPolarHBondContact O-CA 3.29Å; H44-G48 PolarHBondContact O-N 2.91Å; G48-T50 PolarHBondContact O-N 3.39Å
49	S	98.1	Very high	97.1	Very high	58 Å²	58	57 Å²	57	41%	0.406	31%	0.306	S	S	.	.			trans	-62.8	134.3	178.6	-56.6	0	0	0	0	109.9	W25 I43 H44 S47	W25-S49 WeakPolarHBondContact CZ3-O 3.34Å; I43-S49 CarbonylContact C-O 3.58Å; I43-S49 WeakPolarHBondContact CA-O 3.25Å; H44-S49 PolarHBondContact N-O 3.5Å; S47-S49 WeakPolarHBondContact CB-OG 2.97Å; S47-S49 PolarHBondContact O-N 3.4Å; S47-S49 WeakPolarHBondContact OG-CB 3.3Å; S47-S49 PolarHBondContact OG-N 3.31Å; S47-S49 PolarHBondContact OG-OG 2.94Å
50	T	98.3	Very high	97.1	Very high	63 Å²	63	53.4 Å²	53.4	39%	0.387	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.7	-179.3	56	0	0	0	0	111.2	M42 I43 G48 Y52 L62	M42-T50 VanDerWaalsContact O-CA 3.32Å; M42-T50 WeakPolarHBondContact O-CA 3.4Å; I43-T50 HydrophobicContact CB-CG2 4.08Å; I43-T50 HydrophobicContact CD1-CG2 3.72Å; I43-T50 HydrophobicContact CG1-CG2 3.85Å; G48-T50 PolarHBondContact O-N 3.39Å; T50-Y52 HydrophobicContact CG2-CE2 4.33Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.36Å; T50-L62 HydrophobicContact CG2-CB 4.11Å
51	N	98.1	Very high	97.1	Very high	91 Å²	91	56.7 Å²	56.7	49%	0.487	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.1	164.6	-167.7	21	0	0	0	109.5	W39 G41 M42	W39-N51 HydrophobicContact CH2-CB 4.36Å; G41-N51 CarbonylContact C-O 3.51Å; G41-N51 WeakPolarHBondContact CA-O 3.43Å; M42-N51 HydrophobicContact CG-CB 4.02Å; M42-N51 PolarHBondContact N-O 3.13Å; M42-N51 PolarHBondContact O-N 2.01Å; M42-N51 HydrophobicContact SD-CB 4.47Å
52	Y	98.3	Very high	97.2	Very high	40 Å²	40	57.1 Å²	57.1	16%	0.157	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	150.2	-175	-66.4	-89	0	0	0	110.6	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.33Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.36Å; Y52-A60 HydrophobicContact CE1-CB 4.3Å; Y52-A60 VanDerWaalsContact CE1-O 3.27Å; Y52-A60 WeakPolarHBondContact CE1-O 3.21Å; Y52-L62 HydrophobicContact CE1-CD1 4.02Å; Y52-L62 HydrophobicContact CE1-CG 3.67Å; Y52-L62 PolarHBondContact OH-N 2.88Å
53	N	97.4	Very high	97.2	Very high	45 Å²	45	58.4 Å²	58.4	24%	0.241	33%	0.325	C	S	.	.			trans	-72.2	132.7	157	-178.6	-25	0	0	0	108.6	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.76Å; W39-N53 HydrophobicContact CZ3-CB 3.93Å; W39-N53 VanDerWaalsContact CZ3-N 3.35Å; W39-N53 VanDerWaalsContact O-CB 3.22Å; W39-N53 WeakPolarHBondContact O-CB 3.44Å; W39-N53 PolarHBondContact O-ND2 2.88Å; I40-N53 PolarHBondContact O-N 3.26Å; N53-K55 PolarHBondContact O-N 3.2Å; N53-K55 PolarHBondContact OD1-N 2.91Å; N53-K55 VanDerWaalsContact OD1-N 3.13Å; N53-F56 HydrophobicContact CB-CD2 4Å; N53-F56 PolarHBondContact O-N 3.17Å; N53-K57 PolarHBondContact O-N 2.88Å
54	E	96.3	Very high	97.1	Very high	131 Å²	131	60.2 Å²	60.2	61%	0.612	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-31	-177.4	-69.2	-61	146.3	0	0	112.9	F56 K57	E54-F56 PolarHBondContact O-N 2.88Å; E54-K57 IonicContact OE1-NZ 3.96Å; E54-K57 PolarHBondContact OE1-NZ 3.18Å; E54-K57 VanDerWaalsContact OE2-CD 3.29Å; E54-K57 WeakPolarHBondContact OE2-CD 3.49Å; E54-K57 IonicContact OE2-NZ 2.85Å; E54-K57 PolarHBondContact OE2-NZ 2.89Å
55	K	94.1	Very high	97.1	Very high	146 Å²	146	61 Å²	61	64%	0.635	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.9	175.3	-67.7	-174.3	-178.7	-179.2	0	114.1	E38 N53	E38-K55 IonicContact OE1-NZ 3.51Å; N53-K55 PolarHBondContact O-N 3.2Å; N53-K55 PolarHBondContact OD1-N 2.91Å; N53-K55 VanDerWaalsContact OD1-N 3.13Å
56	F	95.8	Very high	97	Very high	11 Å²	11	65.9 Å²	65.9	5%	0.048	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-8.3	-172.3	-62.4	-82.8	0	0	0	113.3	K30 E38 I40 N53 E54 S58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.99Å; K30-F56 HydrophobicContact CD-CZ 4.09Å; E38-F56 HydrophobicContact CB-CE2 4.4Å; E38-F56 HydrophobicContact CB-CZ 4.29Å; I40-F56 HydrophobicContact CB-CD2 4.36Å; I40-F56 HydrophobicContact CB-CG 4.31Å; I40-F56 HydrophobicContact CG1-CD1 4.33Å; I40-F56 HydrophobicContact CG1-CD2 4.35Å; I40-F56 HydrophobicContact CG1-CE1 4.32Å; I40-F56 HydrophobicContact CG1-CE2 4.33Å; I40-F56 HydrophobicContact CG1-CG 4.34Å; I40-F56 HydrophobicContact CG1-CZ 4.32Å; I40-F56 HydrophobicContact CG2-CB 3.71Å; I40-F56 HydrophobicContact CG2-CD1 4.21Å; I40-F56 HydrophobicContact CG2-CD2 4.36Å; I40-F56 HydrophobicContact CG2-CG 3.85Å; N53-F56 HydrophobicContact CB-CD2 4Å; N53-F56 PolarHBondContact O-N 3.17Å; E54-F56 PolarHBondContact O-N 2.88Å; F56-S58 VanDerWaalsContact C-N 3.26Å; F56-S58 PolarHBondContact O-N 3.24Å; F56-K59 PolarHBondContact O-N 3.05Å; F56-A60 HydrophobicContact CB-CB 4.35Å; F56-A60 PolarHBondContact O-N 3.37Å
57	K	94.7	Very high	96.9	Very high	113 Å²	113	67 Å²	67	49%	0.491	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-32.9	-173.8	-168.1	176.9	-169.6	172.2	0	114.5	N53 E54	N53-K57 PolarHBondContact O-N 2.88Å; E54-K57 IonicContact OE1-NZ 3.96Å; E54-K57 PolarHBondContact OE1-NZ 3.18Å; E54-K57 VanDerWaalsContact OE2-CD 3.29Å; E54-K57 WeakPolarHBondContact OE2-CD 3.49Å; E54-K57 IonicContact OE2-NZ 2.85Å; E54-K57 PolarHBondContact OE2-NZ 2.89Å
58	S	94.8	Very high	96.9	Very high	119 Å²	119	65.3 Å²	65.3	83%	0.832	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-10.5	176.4	58.4	0	0	0	0	113.8	F56	F56-S58 VanDerWaalsContact C-N 3.26Å; F56-S58 PolarHBondContact O-N 3.24Å
59	K	95.4	Very high	96.9	Very high	39 Å²	39	65.6 Å²	65.6	17%	0.17	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-34.2	-167.4	-158.3	170.8	-167.2	170.6	0	113.4	F56 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.05Å; K59-L75 WeakPolarHBondContact O-CA 3.27Å; K59-S76 WeakPolarHBondContact CE-O 3.41Å; K59-S76 VanDerWaalsContact CG-O 3.25Å; K59-S76 WeakPolarHBondContact CG-O 3.49Å; K59-S76 PolarHBondContact O-N 3.3Å; K59-D82 WeakPolarHBondContact CE-OD1 3.46Å; K59-D82 WeakPolarHBondContact CE-OD2 3.31Å; K59-D82 IonicContact NZ-OD1 2.83Å; K59-D82 PolarHBondContact NZ-OD1 3.25Å; K59-D82 IonicContact NZ-OD2 2.83Å; K59-D82 PolarHBondContact NZ-OD2 3.14Å
60	A	97.7	Very high	96.9	Very high	3 Å²	3	63.3 Å²	63.3	3%	0.025	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.3	-177.3	0	0	0	0	0	111	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.81Å; Y52-A60 HydrophobicContact CE1-CB 4.3Å; Y52-A60 VanDerWaalsContact CE1-O 3.27Å; Y52-A60 WeakPolarHBondContact CE1-O 3.21Å; F56-A60 HydrophobicContact CB-CB 4.35Å; F56-A60 PolarHBondContact O-N 3.37Å; A60-M73 HydrophobicContact CB-CG 4.39Å; A60-M73 HydrophobicContact CB-SD 4.36Å; A60-Q74 CarbonylContact C-O 3.45Å; A60-Q74 WeakPolarHBondContact CA-O 3.32Å; A60-L75 HydrophobicContact CB-CD2 3.86Å
61	T	98.4	Very high	96.9	Very high	69 Å²	69	60.3 Å²	60.3	42%	0.423	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.8	169.8	-57.1	0	0	0	0	108.7	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.38Å; T61-M73 WeakPolarHBondContact O-CA 3.43Å; T61-Q74 PolarHBondContact N-O 2.8Å; T61-Q74 PolarHBondContact O-N 3.01Å
62	L	98.6	Very high	97	Very high	8 Å²	8	58.4 Å²	58.4	4%	0.042	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	134.3	177.2	-53.4	-176.5	0	0	0	110.5	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.03Å; I43-L62 HydrophobicContact CB-CB 4.03Å; I43-L62 HydrophobicContact CB-CD1 4.21Å; I43-L62 HydrophobicContact CD1-CB 4.08Å; I43-L62 HydrophobicContact CG2-CB 4.24Å; I43-L62 HydrophobicContact CG2-CD1 4.49Å; T50-L62 HydrophobicContact CG2-CB 4.11Å; Y52-L62 HydrophobicContact CE1-CD1 4.02Å; Y52-L62 HydrophobicContact CE1-CG 3.67Å; Y52-L62 PolarHBondContact OH-N 2.88Å; L62-Y72 WeakPolarHBondContact CA-O 3.3Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.12Å
63	T	98.4	Very high	97	Very high	58 Å²	58	56.5 Å²	56.5	36%	0.356	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	163	175.7	54	0	0	0	0	110.4	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.38Å; T63-Y72 PolarHBondContact N-O 3.08Å; T63-Y72 PolarHBondContact O-N 2.98Å
64	V	98.1	Very high	97	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	-134.4	146.7	177.6	-68.1	0	0	0	0	111	F21 I43 P45 A71	F21-V64 HydrophobicContact CZ-CB 4.48Å; F21-V64 HydrophobicContact CZ-CG1 4.13Å; I43-V64 HydrophobicContact CD1-CG1 3.82Å; I43-V64 HydrophobicContact CD1-CG2 4.37Å; I43-V64 HydrophobicContact CG1-CG1 3.99Å; I43-V64 HydrophobicContact CG2-CG1 3.85Å; P45-V64 HydrophobicContact CB-CG1 4.14Å; P45-V64 HydrophobicContact CG-CG1 4.43Å; V64-A71 HydrophobicContact CG1-CB 4.15Å
65	D	97.6	Very high	97	Very high	53 Å²	53	52 Å²	52	28%	0.283	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	104.4	163.8	174.2	7.3	0	0	0	108.1	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.27Å; D65-S67 PolarHBondContact O-N 2.93Å; D65-S67 WeakPolarHBondContact OD1-CB 3.33Å; D65-S67 PolarHBondContact OD1-N 2.86Å; D65-S67 PolarHBondContact OD1-OG 2.84Å; D65-S67 PolarHBondContact OD2-OG 2.77Å; D65-S68 PolarHBondContact OD1-N 2.94Å; D65-S68 WeakPolarHBondContact OD2-CB 3.14Å; D65-S68 PolarHBondContact OD2-OG 2.9Å; D65-S69 PolarHBondContact O-N 2.96Å; D65-S69 VanDerWaalsContact O-N 3.14Å; D65-T70 PolarHBondContact N-O 2.83Å; D65-T70 PolarHBondContact O-N 2.83Å; D65-Y72 HydrophobicContact CB-CE2 3.87Å
66	K	95.7	Very high	97.1	Very high	102 Å²	102	46.6 Å²	46.6	44%	0.443	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-35.6	179.7	-64.9	-175.3	-178.8	-166.9	0	111.9	P45 D46 S68 S69	P45-K66 WeakPolarHBondContact O-CE 3.46Å; D46-K66 WeakPolarHBondContact O-CE 3.32Å; D46-K66 PolarHBondContact O-NZ 3Å; D46-K66 IonicContact OD1-NZ 2.8Å; D46-K66 PolarHBondContact OD1-NZ 2.81Å; K66-S68 VanDerWaalsContact C-N 3.35Å; K66-S68 PolarHBondContact O-N 2.87Å; K66-S69 PolarHBondContact O-N 2.85Å
67	S	95.6	Very high	97	Very high	110 Å²	110	49.9 Å²	49.9	77%	0.769	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-37.5	-173.9	73.2	0	0	0	0	112.1	D65	D65-S67 VanDerWaalsContact C-N 3.27Å; D65-S67 PolarHBondContact O-N 2.93Å; D65-S67 WeakPolarHBondContact OD1-CB 3.33Å; D65-S67 PolarHBondContact OD1-N 2.86Å; D65-S67 PolarHBondContact OD1-OG 2.84Å; D65-S67 PolarHBondContact OD2-OG 2.77Å
68	S	97.1	Very high	97	Very high	35 Å²	35	45.1 Å²	45.1	25%	0.245	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	0.1	177.3	66.8	0	0	0	0	113.8	D65 K66 T70	D65-S68 PolarHBondContact OD1-N 2.94Å; D65-S68 WeakPolarHBondContact OD2-CB 3.14Å; D65-S68 PolarHBondContact OD2-OG 2.9Å; K66-S68 VanDerWaalsContact C-N 3.35Å; K66-S68 PolarHBondContact O-N 2.87Å; S68-T70 PolarHBondContact O-N 2.85Å; S68-T70 PolarHBondContact O-OG1 3.02Å; S68-T70 WeakPolarHBondContact OG-CB 3.39Å; S68-T70 PolarHBondContact OG-OG1 3.39Å
69	S	97.3	Very high	97	Very high	43 Å²	43	42.6 Å²	42.6	30%	0.301	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	43.2	-171.7	-61.2	0	0	0	0	112.7	A16 F21 D65 K66	A16-S69 PolarHBondContact N-O 3.5Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; D65-S69 PolarHBondContact O-N 2.96Å; D65-S69 VanDerWaalsContact O-N 3.14Å; K66-S69 PolarHBondContact O-N 2.85Å
70	T	98.3	Very high	96.7	Very high	9 Å²	9	45.8 Å²	45.8	6%	0.055	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127	-174.7	-51.1	0	0	0	0	110.9	C14 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.59Å; C14-T70 WeakPolarHBondContact O-CA 3.39Å; D65-T70 PolarHBondContact N-O 2.83Å; D65-T70 PolarHBondContact O-N 2.83Å; S68-T70 PolarHBondContact O-N 2.85Å; S68-T70 PolarHBondContact O-OG1 3.02Å; S68-T70 WeakPolarHBondContact OG-CB 3.39Å; S68-T70 PolarHBondContact OG-OG1 3.39Å; T70-Y72 HydrophobicContact CG2-CD1 4.31Å; T70-Y72 HydrophobicContact CG2-CD2 4.36Å; T70-Y72 HydrophobicContact CG2-CE1 3.72Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å
71	A	98.3	Very high	96.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	149.8	166	0	0	0	0	0	110.3	S13 C14 F21 M26 W28 V64	S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.34Å; C14-A71 PolarHBondContact N-O 3.16Å; C14-A71 PolarHBondContact O-N 3.15Å; F21-A71 HydrophobicContact CE2-CB 4.33Å; F21-A71 HydrophobicContact CZ-CB 4.1Å; M26-A71 HydrophobicContact CB-CB 4.18Å; M26-A71 HydrophobicContact CG-CB 3.69Å; W28-A71 HydrophobicContact CZ2-CB 4.19Å; V64-A71 HydrophobicContact CG1-CB 4.15Å
72	Y	98.5	Very high	96.1	Very high	52 Å²	52	49 Å²	49	20%	0.204	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.8	178	-56.9	-89.2	0	0	0	110.9	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CD1 3.42Å; K11-Y72 VanDerWaalsContact CE-CG 3.48Å; K11-Y72 HydrophobicContact CG-CD1 4.35Å; L12-Y72 WeakPolarHBondContact O-CA 3.33Å; L12-Y72 WeakPolarHBondContact O-CB 3.39Å; S13-Y72 VanDerWaalsContact CB-CD1 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.43Å; L62-Y72 WeakPolarHBondContact CA-O 3.3Å; T63-Y72 PolarHBondContact N-O 3.08Å; T63-Y72 PolarHBondContact O-N 2.98Å; D65-Y72 HydrophobicContact CB-CE2 3.87Å; T70-Y72 HydrophobicContact CG2-CD1 4.31Å; T70-Y72 HydrophobicContact CG2-CD2 4.36Å; T70-Y72 HydrophobicContact CG2-CE1 3.72Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å
73	M	98.4	Very high	95.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.5	167.9	179.5	175.1	70.2	0	0	108.9	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.67Å; L12-M73 PolarHBondContact N-O 2.79Å; L12-M73 PolarHBondContact O-N 3.04Å; W28-M73 HydrophobicContact CB-SD 3.95Å; W28-M73 HydrophobicContact CD2-CB 3.7Å; W28-M73 HydrophobicContact CD2-CE 4.39Å; W28-M73 HydrophobicContact CD2-CG 4.48Å; W28-M73 HydrophobicContact CD2-SD 4.11Å; W28-M73 HydrophobicContact CE3-CB 3.8Å; W28-M73 HydrophobicContact CE3-CE 3.77Å; W28-M73 HydrophobicContact CE3-SD 4.09Å; W28-M73 HydrophobicContact CG-CB 4.31Å; W28-M73 HydrophobicContact CG-SD 4.07Å; W28-M73 HydrophobicContact CH2-CB 3.99Å; W28-M73 HydrophobicContact CZ2-CB 3.91Å; W28-M73 HydrophobicContact CZ3-CB 3.95Å; W28-M73 HydrophobicContact CZ3-CE 4.3Å; I40-M73 HydrophobicContact CD1-CE 3.75Å; I40-M73 HydrophobicContact CD1-SD 3.65Å; I40-M73 HydrophobicContact CG2-SD 3.85Å; A60-M73 HydrophobicContact CB-CG 4.39Å; A60-M73 HydrophobicContact CB-SD 4.36Å; T61-M73 WeakPolarHBondContact O-CA 3.43Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.12Å; M73-L75 HydrophobicContact CE-CD1 3.9Å; M73-L75 HydrophobicContact CE-CD2 4.21Å; M73-L75 HydrophobicContact CE-CG 4.02Å; M73-L75 HydrophobicContact CG-CD2 4.39Å; M73-L75 HydrophobicContact CG-CG 4.37Å; M73-L75 HydrophobicContact SD-CD2 4.15Å; M73-L75 HydrophobicContact SD-CG 4.44Å; M73-Y86 HydrophobicContact CE-CD1 3.61Å; M73-Y86 HydrophobicContact CE-CE1 4.1Å; M73-Y86 HydrophobicContact CE-CG 4.3Å
74	Q	98.1	Very high	95.7	Very high	80 Å²	80	51.7 Å²	51.7	37%	0.374	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.8	170	-178.3	172.5	-15.7	0	0	109.3	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.18Å; A60-Q74 CarbonylContact C-O 3.45Å; A60-Q74 WeakPolarHBondContact CA-O 3.32Å; T61-Q74 PolarHBondContact N-O 2.8Å; T61-Q74 PolarHBondContact O-N 3.01Å
75	L	96.9	Very high	95.6	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.7	171.6	-65	168.9	0	0	0	108.6	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.55Å; S9-L75 WeakPolarHBondContact CA-O 3.39Å; S9-L75 WeakPolarHBondContact CB-O 3.5Å; V10-L75 HydrophobicContact CG1-CB 4.03Å; V10-L75 HydrophobicContact CG1-CD1 4.33Å; V10-L75 PolarHBondContact N-O 2.91Å; V10-L75 PolarHBondContact O-N 2.95Å; K59-L75 WeakPolarHBondContact O-CA 3.27Å; A60-L75 HydrophobicContact CB-CD2 3.86Å; M73-L75 HydrophobicContact CE-CD1 3.9Å; M73-L75 HydrophobicContact CE-CD2 4.21Å; M73-L75 HydrophobicContact CE-CG 4.02Å; M73-L75 HydrophobicContact CG-CD2 4.39Å; M73-L75 HydrophobicContact CG-CG 4.37Å; M73-L75 HydrophobicContact SD-CD2 4.15Å; M73-L75 HydrophobicContact SD-CG 4.44Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CD1-CD2 4.34Å; L75-Y86 HydrophobicContact CD1-CD1 4.31Å; L75-Y86 HydrophobicContact CD1-CE1 3.62Å; L75-Y86 HydrophobicContact CD1-CE2 4.25Å
76	S	95.7	Very high	95.6	Very high	31 Å²	31	53.1 Å²	53.1	22%	0.217	31%	0.314	C	S	.	.			trans	-109.9	156.8	-178.8	-56.3	0	0	0	0	112	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.27Å; K59-S76 WeakPolarHBondContact CE-O 3.41Å; K59-S76 VanDerWaalsContact CG-O 3.25Å; K59-S76 WeakPolarHBondContact CG-O 3.49Å; K59-S76 PolarHBondContact O-N 3.3Å; S76-L78 PolarHBondContact O-N 2.94Å
77	S	94.4	Very high	95.7	Very high	80 Å²	80	53.3 Å²	53.3	56%	0.559	31%	0.312	S	S	*	.	S	Bend	trans	53	53.1	173.8	-55.5	0	0	0	0	112.6	A8	A8-S77 PolarHBondContact O-N 3.14Å
78	L	94.4	Very high	95.8	Very high	13 Å²	13	50.3 Å²	50.3	7%	0.068	29%	0.291	C	S	.	.			trans	-64.5	140.4	-172.6	-67.4	171	0	0	0	112.6	V4 G7 A8 V10 L75 S76 D82	V4-L78 HydrophobicContact CB-CD1 4.28Å; V4-L78 HydrophobicContact CG2-CD1 3.42Å; V4-L78 VanDerWaalsContact CG2-CD1 3.42Å; G7-L78 PolarHBondContact N-O 2.79Å; A8-L78 WeakPolarHBondContact O-CB 2.89Å; A8-L78 VanDerWaalsContact O-CG 3.26Å; A8-L78 WeakPolarHBondContact O-CG 3.43Å; A8-L78 PolarHBondContact O-N 3.1Å; V10-L78 HydrophobicContact CB-CD1 4.01Å; V10-L78 HydrophobicContact CG1-CD1 3.75Å; V10-L78 HydrophobicContact CG1-CD2 4.43Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CD1-CD2 4.34Å; S76-L78 PolarHBondContact O-N 2.94Å; L78-D82 VanDerWaalsContact CA-OD2 3.31Å; L78-D82 WeakPolarHBondContact CA-OD2 3.29Å; L78-D82 HydrophobicContact CD2-CB 3.74Å
79	T	93.4	Very high	95.8	Very high	66 Å²	66	50.9 Å²	50.9	41%	0.405	30%	0.298	S	S	.	.			trans	-122.2	171.2	175.4	67.9	0	0	0	0	110	E81 D82	T79-E81 PolarHBondContact O-N 2.82Å; T79-E81 VanDerWaalsContact O-N 3.15Å; T79-E81 PolarHBondContact OG1-N 3.49Å; T79-D82 PolarHBondContact N-OD2 3.45Å; T79-D82 WeakPolarHBondContact O-CB 3.42Å; T79-D82 PolarHBondContact O-N 2.61Å; T79-D82 PolarHBondContact OG1-OD2 3.44Å
80	S	90.9	Very high	95.7	Very high	106 Å²	106	51.4 Å²	51.4	74%	0.741	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-56.3	-29.7	175.2	51.3	0	0	0	0	112.7	D82 S83	S80-D82 PolarHBondContact O-N 3.25Å; S80-S83 WeakPolarHBondContact O-CB 3.44Å; S80-S83 PolarHBondContact O-N 3Å
81	E	89.9	Confident	95.1	Very high	127 Å²	127	58.8 Å²	58.8	59%	0.593	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-68	-16.1	177.5	-61.7	-174.1	169.5	0	0	113.6	K30 R32 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.36Å; K30-E81 PolarHBondContact NZ-O 3.2Å; R32-E81 PolarHBondContact NE-O 2.88Å; R32-E81 PolarHBondContact NH2-O 2.98Å; T79-E81 PolarHBondContact O-N 2.82Å; T79-E81 VanDerWaalsContact O-N 3.15Å; T79-E81 PolarHBondContact OG1-N 3.49Å; E81-S83 VanDerWaalsContact C-N 3.34Å
82	D	92.9	Very high	95	Very high	14 Å²	14	61.7 Å²	61.7	8%	0.075	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-86.8	-6.2	176.1	-54.8	-49.1	0	0	0	113.4	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.37Å; K59-D82 WeakPolarHBondContact CE-OD1 3.46Å; K59-D82 WeakPolarHBondContact CE-OD2 3.31Å; K59-D82 IonicContact NZ-OD1 2.83Å; K59-D82 PolarHBondContact NZ-OD1 3.25Å; K59-D82 IonicContact NZ-OD2 2.83Å; K59-D82 PolarHBondContact NZ-OD2 3.14Å; L78-D82 VanDerWaalsContact CA-OD2 3.31Å; L78-D82 WeakPolarHBondContact CA-OD2 3.29Å; L78-D82 HydrophobicContact CD2-CB 3.74Å; T79-D82 PolarHBondContact N-OD2 3.45Å; T79-D82 WeakPolarHBondContact O-CB 3.42Å; T79-D82 PolarHBondContact O-N 2.61Å; T79-D82 PolarHBondContact OG1-OD2 3.44Å; S80-D82 PolarHBondContact O-N 3.25Å; D82-A84 PolarHBondContact O-N 3.41Å; D82-Y86 WeakPolarHBondContact O-CE2 3.35Å; D82-Y86 PolarHBondContact O-OH 3.49Å
83	S	93.8	Very high	94.8	Very high	95 Å²	95	62.2 Å²	62.2	66%	0.664	36%	0.358	S	S	*	.			trans	-66	107.4	172.5	-168.7	0	0	0	0	109.6	S80 E81	S80-S83 WeakPolarHBondContact O-CB 3.44Å; S80-S83 PolarHBondContact O-N 3Å; E81-S83 VanDerWaalsContact C-N 3.34Å
84	A	95.1	Very high	94.6	Very high	26 Å²	26	65.7 Å²	65.7	22%	0.215	38%	0.378	C	S	.	.	S	Bend	trans	-164	167.8	-171.3	0	0	0	0	0	110.2	K30 Q31 R32 D82 Y86	K30-A84 HydrophobicContact CD-CB 4.16Å; K30-A84 HydrophobicContact CG-CB 3.49Å; K30-A84 VanDerWaalsContact CG-CB 3.49Å; Q31-A84 WeakPolarHBondContact O-CA 3.34Å; Q31-A84 WeakPolarHBondContact O-CB 3.4Å; R32-A84 HydrophobicContact CG-CB 4.11Å; D82-A84 PolarHBondContact O-N 3.41Å; A84-Y86 HydrophobicContact CB-CE2 3.94Å
85	V	96.4	Very high	94.4	Very high	75 Å²	75	64.8 Å²	64.8	46%	0.455	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	136.6	162	-171.8	0	0	0	0	108.3	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.74Å; Q31-V85 PolarHBondContact O-N 2.96Å; V85-Y87 HydrophobicContact CB-CE2 3.9Å; V85-Y87 HydrophobicContact CG1-CD2 4.31Å; V85-Y87 HydrophobicContact CG1-CE1 3.91Å; V85-Y87 HydrophobicContact CG1-CE2 3.59Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.36Å
86	Y	97.3	Very high	94.2	Very high	50 Å²	50	68.8 Å²	68.8	20%	0.196	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.6	178.3	-68.3	-89.2	0	0	0	109.3	L12 V29 K30 I40 M73 L75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.29Å; L12-Y86 HydrophobicContact CD1-CD2 4.04Å; L12-Y86 HydrophobicContact CD1-CG 3.73Å; V29-Y86 CarbonylContact O-C 3.56Å; V29-Y86 WeakPolarHBondContact O-CA 3.19Å; K30-Y86 HydrophobicContact CB-CD1 4.14Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 4.03Å; K30-Y86 HydrophobicContact CG-CD1 4.33Å; K30-Y86 HydrophobicContact CG-CE1 3.77Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.84Å; M73-Y86 HydrophobicContact CE-CD1 3.61Å; M73-Y86 HydrophobicContact CE-CE1 4.1Å; M73-Y86 HydrophobicContact CE-CG 4.3Å; L75-Y86 HydrophobicContact CD1-CD1 4.31Å; L75-Y86 HydrophobicContact CD1-CE1 3.62Å; L75-Y86 HydrophobicContact CD1-CE2 4.25Å; D82-Y86 WeakPolarHBondContact O-CE2 3.35Å; D82-Y86 PolarHBondContact O-OH 3.49Å; A84-Y86 HydrophobicContact CB-CE2 3.94Å
87	Y	97.4	Very high	94.1	Very high	105 Å²	105	71.3 Å²	71.3	41%	0.412	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	147.5	-179.4	-60.1	-82.6	0	0	0	110	W28 V29 Q31 L37 V85	W28-Y87 WeakPolarHBondContact CA-O 3.32Å; V29-Y87 PolarHBondContact N-O 3.47Å; V29-Y87 PolarHBondContact O-N 2.64Å; Q31-Y87 HydrophobicContact CB-CD2 4.34Å; Q31-Y87 HydrophobicContact CB-CE2 3.75Å; Q31-Y87 PolarHBondContact OE1-OH 2.8Å; L37-Y87 HydrophobicContact CD2-CD2 4.45Å; V85-Y87 HydrophobicContact CB-CE2 3.9Å; V85-Y87 HydrophobicContact CG1-CD2 4.31Å; V85-Y87 HydrophobicContact CG1-CE1 3.91Å; V85-Y87 HydrophobicContact CG1-CE2 3.59Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.36Å
88	C	97.4	Very high	94.1	Very high	48 Å²	48	70.6 Å²	70.6	32%	0.324	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	145.3	164.9	62.1	0	0	0	0	109.2	C14 M26 H27 W28	C14-C88 HydrophobicContact CB-CB 3.53Å; C14-C88 WeakPolarHBondContact CB-SG 3.06Å; C14-C88 WeakPolarHBondContact SG-CB 3.47Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.33Å; M26-C88 HydrophobicContact SD-CB 3.85Å; H27-C88 WeakPolarHBondContact O-CA 3.42Å; W28-C88 HydrophobicContact CD2-CB 4.28Å; W28-C88 HydrophobicContact CE3-CB 4.12Å; W28-C88 HydrophobicContact CH2-CB 4.27Å; W28-C88 HydrophobicContact CZ2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.12Å
89	A	96.2	Very high	94.1	Very high	46 Å²	46	75.1 Å²	75.1	38%	0.38	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	143	176.2	0	0	0	0	0	110.2	M26 H27	M26-A89 VanDerWaalsContact SD-C 3.56Å; H27-A89 PolarHBondContact N-O 2.67Å; H27-A89 PolarHBondContact O-N 3.25Å; H27-A89 VanDerWaalsContact O-N 3.11Å
90	P	95.6	Very high	94.2	Very high	55 Å²	55	75.8 Å²	75.8	36%	0.357	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	153.7	162.3	29.9	-32.6	0	0	0	109.9	Y19 W25	Y19-P90 HydrophobicContact CE1-CB 4.41Å; Y19-P90 HydrophobicContact CE1-CG 4.11Å; Y19-P90 HydrophobicContact CE2-CB 4.01Å; W25-P90 CarbonylContact O-C 3.56Å; W25-P90 WeakPolarHBondContact O-CA 3.2Å
91	E	87	Confident	94.5	Very high	163 Å²	163	73.1 Å²	73.1	76%	0.762	40%	0.403	S	S	*	.			trans	-55.7	0	161.7	-172.3	175.7	-166.4	0	0	112	Y24 W25	Y24-E91 WeakPolarHBondContact CD1-O 3.46Å; W25-E91 HydrophobicContact CB-CB 4.32Å; W25-E91 VanDerWaalsContact CD1-OE2 3.26Å; W25-E91 PolarHBondContact O-N 2.85Å

Retrieved 91 of 91 residues in 18.6 ms (Link to these results)

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