X5J5B8_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5B8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 98 aa.

						>X5J5B8_MOUSE|X5J5B8
SCKASGYTFTSYWMHWVKQRPGQGLEWIGMIHPNSGSTNYNEKFKSKATLTVDKSSSTAYMQLSSLTSEDSAVYYCARGGYYYGSGYWGQGTTLTVSS
					

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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	S	96.9	Very high	94.6	Very high	109 Å²	109	68.5 Å²	68.5	76%	0.762	44%	0.442	S	S	*	.				0	164.6	0	52.4	0	0	0	0	109.1	A59 Y60	S1-A59 CarbonylContact C-O 3.58Å; S1-A59 WeakPolarHBondContact CA-O 3.43Å; S1-Y60 VanDerWaalsContact CB-CD1 3.45Å; S1-Y60 VanDerWaalsContact CB-CE1 3.48Å
2	C	97.3	Very high	94.4	Very high	16 Å²	16	70.6 Å²	70.6	11%	0.108	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	110.3	177.2	179.1	0	0	0	0	108.9	W16 T58 A59 C76	C2-W16 HydrophobicContact CB-CH2 3.67Å; C2-W16 HydrophobicContact CB-CZ2 4.04Å; C2-W16 HydrophobicContact CB-CZ3 4.45Å; C2-T58 WeakPolarHBondContact O-CA 3.46Å; C2-A59 PolarHBondContact N-O 2.76Å; C2-A59 PolarHBondContact O-N 3.26Å; C2-C76 HydrophobicContact CB-CB 3.4Å; C2-C76 VanDerWaalsContact CB-CB 3.4Å; C2-C76 WeakPolarHBondContact CB-SG 3.5Å; C2-C76 WeakPolarHBondContact SG-CB 3.46Å; C2-C76 CovalentContact SG-SG 2.03Å; C2-C76 PolarHBondContact SG-SG 2.81Å
3	K	97.2	Very high	94.5	Very high	158 Å²	158	68.2 Å²	68.2	69%	0.687	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	126.4	179.6	-174.8	174.5	-177.3	177.7	0	109.7	T58	K3-T58 HydrophobicContact CB-CG2 4.48Å
4	A	95.2	Very high	94.6	Very high	11 Å²	11	63.6 Å²	63.6	9%	0.091	39%	0.385	C	S	.	.			trans	-83.6	148.4	176.3	0	0	0	0	0	111.5	Y7 F9 S57	A4-Y7 HydrophobicContact CB-CE1 3.75Å; A4-Y7 HydrophobicContact CB-CE2 4.35Å; A4-Y7 VanDerWaalsContact CB-OH 3.24Å; A4-Y7 WeakPolarHBondContact CB-OH 3.23Å; A4-F9 HydrophobicContact CB-CB 4.16Å; A4-F9 HydrophobicContact CB-CD2 3.35Å; A4-F9 HydrophobicContact CB-CE2 3.99Å; A4-F9 HydrophobicContact CB-CG 4.01Å; A4-S57 WeakPolarHBondContact CB-O 3.5Å; A4-S57 PolarHBondContact N-O 3.23Å
5	S	93.6	Very high	94.8	Very high	102 Å²	102	60.3 Å²	60.3	71%	0.713	36%	0.364	S	S	*	.			trans	-149.4	151.5	174.9	60.3	0	0	0	0	110.6	Y7	S5-Y7 VanDerWaalsContact C-N 3.35Å; S5-Y7 WeakPolarHBondContact O-CD1 3.29Å; S5-Y7 PolarHBondContact O-N 3Å
6	G	92.4	Very high	95	Very high	90 Å²	90	57.4 Å²	57.4	93%	0.928	34%	0.344	S	S	*	.	S	Bend	trans	76.4	12.9	174.9	0	0	0	0	0	115.9
7	Y	90.9	Very high	95.1	Very high	56 Å²	56	54.4 Å²	54.4	22%	0.22	33%	0.326	C	S	.	.	S	Bend	trans	-159.1	166.6	173.6	67.3	-83.8	0	0	0	112.1	A4 S5 F9 Y12 R78	A4-Y7 HydrophobicContact CB-CE1 3.75Å; A4-Y7 HydrophobicContact CB-CE2 4.35Å; A4-Y7 VanDerWaalsContact CB-OH 3.24Å; A4-Y7 WeakPolarHBondContact CB-OH 3.23Å; S5-Y7 VanDerWaalsContact C-N 3.35Å; S5-Y7 WeakPolarHBondContact O-CD1 3.29Å; S5-Y7 PolarHBondContact O-N 3Å; Y7-F9 HydrophobicContact CE2-CD2 4.46Å; Y7-F9 PolarHBondContact O-N 2.93Å; Y7-Y12 AromaticContact CD2-CD2 3.55Å; Y7-Y12 HydrophobicContact CD2-CD2 3.55Å; Y7-Y12 AromaticContact CD2-CE2 3.95Å; Y7-Y12 HydrophobicContact CD2-CE2 3.95Å; Y7-Y12 AromaticContact CE2-CD2 3.86Å; Y7-Y12 HydrophobicContact CE2-CD2 3.86Å; Y7-Y12 HydrophobicContact CE2-CG 4.46Å; Y7-R78 VanDerWaalsContact CB-NH1 3.3Å; Y7-R78 HydrophobicContact CE2-CG 4.05Å
8	T	94.4	Very high	95.2	Very high	89 Å²	89	51.3 Å²	51.3	55%	0.546	31%	0.308	S	S	.	.			trans	-69.2	99.8	171.6	-52	0	0	0	0	110.4	T10 S11	T8-T10 PolarHBondContact O-N 2.92Å; T8-T10 VanDerWaalsContact O-N 3.12Å; T8-S11 WeakPolarHBondContact CB-OG 3.41Å; T8-S11 WeakPolarHBondContact CG2-OG 3.23Å; T8-S11 WeakPolarHBondContact O-CB 3.39Å; T8-S11 PolarHBondContact O-N 2.79Å
9	F	94.6	Very high	95.3	Very high	7 Å²	7	52.1 Å²	52.1	3%	0.031	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-52.9	-36.3	-174.1	176.2	-124.9	0	0	0	113.8	A4 Y7 S11 M14 P33 V52 S57 A59	A4-F9 HydrophobicContact CB-CB 4.16Å; A4-F9 HydrophobicContact CB-CD2 3.35Å; A4-F9 HydrophobicContact CB-CE2 3.99Å; A4-F9 HydrophobicContact CB-CG 4.01Å; Y7-F9 HydrophobicContact CE2-CD2 4.46Å; Y7-F9 PolarHBondContact O-N 2.93Å; F9-S11 VanDerWaalsContact C-N 3.26Å; F9-S11 PolarHBondContact O-N 2.79Å; F9-M14 HydrophobicContact CE2-CE 3.97Å; F9-P33 HydrophobicContact CD1-CB 3.78Å; F9-P33 HydrophobicContact CD1-CG 4.25Å; F9-P33 HydrophobicContact CD2-CG 4.11Å; F9-P33 HydrophobicContact CE1-CB 3.46Å; F9-P33 VanDerWaalsContact CE1-CB 3.46Å; F9-P33 HydrophobicContact CE1-CG 3.86Å; F9-P33 HydrophobicContact CE2-CB 4.23Å; F9-P33 HydrophobicContact CE2-CG 3.68Å; F9-P33 HydrophobicContact CG-CB 4.32Å; F9-P33 HydrophobicContact CG-CG 4.39Å; F9-P33 HydrophobicContact CZ-CB 3.71Å; F9-P33 HydrophobicContact CZ-CG 3.55Å; F9-V52 HydrophobicContact CZ-CG1 4.23Å; F9-S57 VanDerWaalsContact CD1-CA 3.45Å; F9-A59 HydrophobicContact CE2-CB 4.43Å; F9-A59 HydrophobicContact CZ-CB 4.05Å
10	T	95.5	Very high	95.3	Very high	45 Å²	45	52.5 Å²	52.5	28%	0.276	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-75	-7.7	-178.1	51.8	0	0	0	0	114.7	T8 N34	T8-T10 PolarHBondContact O-N 2.92Å; T8-T10 VanDerWaalsContact O-N 3.12Å; T10-N34 WeakPolarHBondContact O-CB 3.42Å
11	S	93	Very high	95.2	Very high	71 Å²	71	55.7 Å²	55.7	50%	0.497	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-90.3	-4.7	-177.5	-57	0	0	0	0	114.6	T8 F9	T8-S11 WeakPolarHBondContact CB-OG 3.41Å; T8-S11 WeakPolarHBondContact CG2-OG 3.23Å; T8-S11 WeakPolarHBondContact O-CB 3.39Å; T8-S11 PolarHBondContact O-N 2.79Å; F9-S11 VanDerWaalsContact C-N 3.26Å; F9-S11 PolarHBondContact O-N 2.79Å
12	Y	92.4	Very high	95	Very high	93 Å²	93	54.9 Å²	54.9	37%	0.365	34%	0.335	S	S	.	.	S	Bend	trans	-135.7	154.9	-172.2	-65.1	-86.3	0	0	0	112	Y7 P33 R78	Y7-Y12 AromaticContact CD2-CD2 3.55Å; Y7-Y12 HydrophobicContact CD2-CD2 3.55Å; Y7-Y12 AromaticContact CD2-CE2 3.95Å; Y7-Y12 HydrophobicContact CD2-CE2 3.95Å; Y7-Y12 AromaticContact CE2-CD2 3.86Å; Y7-Y12 HydrophobicContact CE2-CD2 3.86Å; Y7-Y12 HydrophobicContact CE2-CG 4.46Å; Y12-P33 WeakPolarHBondContact O-CD 3.31Å; Y12-R78 HydrophobicContact CD1-CG 4.11Å; Y12-R78 HydrophobicContact CD2-CG 4.39Å; Y12-R78 HydrophobicContact CG-CG 3.76Å
13	W	95.1	Very high	94.8	Very high	40 Å²	40	58.8 Å²	58.8	15%	0.152	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	141.8	169.7	-68.6	81.6	0	0	0	110.4	M30 I31 H32 S37 G79 Y81	W13-M30 HydrophobicContact CB-SD 4.39Å; W13-M30 HydrophobicContact CD2-CG 4.36Å; W13-M30 HydrophobicContact CD2-SD 4.06Å; W13-M30 HydrophobicContact CE3-CB 4.07Å; W13-M30 HydrophobicContact CE3-CE 4.43Å; W13-M30 HydrophobicContact CE3-CG 3.5Å; W13-M30 VanDerWaalsContact CE3-CG 3.5Å; W13-M30 HydrophobicContact CE3-SD 3.76Å; W13-M30 HydrophobicContact CG-SD 4.34Å; W13-M30 HydrophobicContact CZ3-CE 4.49Å; W13-M30 HydrophobicContact CZ3-CG 3.88Å; W13-M30 HydrophobicContact CZ3-SD 4.35Å; W13-I31 VanDerWaalsContact CE3-C 3.46Å; W13-H32 AromaticContact CD1-CD2 3.82Å; W13-H32 HydrophobicContact CD2-CB 3.74Å; W13-H32 AromaticContact CD2-CD2 3.97Å; W13-H32 AromaticContact CE2-CD2 3.72Å; W13-H32 AromaticContact CE2-CG 3.94Å; W13-H32 HydrophobicContact CE3-CB 3.63Å; W13-H32 VanDerWaalsContact CE3-N 3.28Å; W13-H32 HydrophobicContact CH2-CB 3.63Å; W13-H32 HydrophobicContact CZ2-CB 3.69Å; W13-H32 HydrophobicContact CZ3-CB 3.59Å; W13-H32 AromaticContact NE1-CD2 3.59Å; W13-S37 VanDerWaalsContact CZ3-O 3.25Å; W13-S37 WeakPolarHBondContact CZ3-O 3.38Å; W13-G79 WeakPolarHBondContact CB-O 3.46Å; W13-G79 PolarHBondContact N-O 3.16Å; W13-G79 PolarHBondContact O-N 3.36Å; W13-Y81 HydrophobicContact CD2-CD2 4.34Å; W13-Y81 AromaticContact CE2-CD2 3.77Å; W13-Y81 HydrophobicContact CH2-CD2 4.05Å; W13-Y81 HydrophobicContact CH2-CE2 4.29Å; W13-Y81 AromaticContact CZ2-CD2 3.61Å; W13-Y81 HydrophobicContact CZ2-CD2 3.61Å; W13-Y81 HydrophobicContact CZ2-CE2 4.25Å
14	M	96.6	Very high	94.6	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.02	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	114.5	168.5	-173.2	61	66.5	0	0	109.1	F9 M30 I31 A59 C76	F9-M14 HydrophobicContact CE2-CE 3.97Å; M14-M30 CarbonylContact O-C 3.53Å; M14-M30 WeakPolarHBondContact O-CA 3.49Å; M14-M30 WeakPolarHBondContact O-CB 3.17Å; M14-I31 HydrophobicContact CB-CG2 4.22Å; M14-I31 PolarHBondContact N-O 3.12Å; M14-I31 PolarHBondContact O-N 2.89Å; M14-A59 HydrophobicContact CB-CB 4.08Å; M14-A59 HydrophobicContact CG-CB 3.62Å; M14-C76 HydrophobicContact SD-CB 3.77Å
15	H	96.9	Very high	94.6	Very high	14 Å²	14	57.9 Å²	57.9	7%	0.065	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	146.3	178	-60.1	-107.9	0	0	0	110.1	W27 G29 M30 C76 A77	H15-W27 AromaticContact ND1-NE1 3.34Å; H15-W27 PolarHBondContact ND1-NE1 2.87Å; H15-G29 WeakPolarHBondContact CA-O 3.48Å; H15-M30 HydrophobicContact CB-CB 4.49Å; H15-M30 PolarHBondContact CE1-SD 3.04Å; H15-C76 CarbonylContact O-C 3.43Å; H15-C76 VanDerWaalsContact O-CA 3.24Å; H15-C76 WeakPolarHBondContact O-CA 3.47Å; H15-A77 HydrophobicContact CB-CB 4.48Å; H15-A77 PolarHBondContact N-O 3.42Å; H15-A77 PolarHBondContact O-N 3.04Å
16	W	97.6	Very high	94.7	Very high	13 Å²	13	54.8 Å²	54.8	5%	0.049	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135	172.2	-67.5	94.5	0	0	0	110	C2 I28 G29 L50 A59 M61 Y75 C76	C2-W16 HydrophobicContact CB-CH2 3.67Å; C2-W16 HydrophobicContact CB-CZ2 4.04Å; C2-W16 HydrophobicContact CB-CZ3 4.45Å; W16-I28 HydrophobicContact CB-CB 4.12Å; W16-I28 HydrophobicContact CB-CD1 4.31Å; W16-I28 WeakPolarHBondContact O-CB 3.43Å; W16-I28 PolarHBondContact O-N 2.97Å; W16-G29 PolarHBondContact N-O 3.49Å; W16-L50 VanDerWaalsContact CD1-CD2 3.44Å; W16-L50 HydrophobicContact CG-CD2 4.09Å; W16-A59 HydrophobicContact CZ2-CB 4.21Å; W16-M61 HydrophobicContact CB-CE 4.49Å; W16-M61 HydrophobicContact CB-SD 3.66Å; W16-M61 HydrophobicContact CD2-CB 3.65Å; W16-M61 HydrophobicContact CD2-CE 4.23Å; W16-M61 HydrophobicContact CD2-CG 4.41Å; W16-M61 HydrophobicContact CD2-SD 3.92Å; W16-M61 HydrophobicContact CE3-CB 3.95Å; W16-M61 HydrophobicContact CE3-CE 3.74Å; W16-M61 HydrophobicContact CE3-SD 4.06Å; W16-M61 HydrophobicContact CG-CB 4.12Å; W16-M61 HydrophobicContact CG-SD 3.77Å; W16-M61 HydrophobicContact CH2-CB 4.18Å; W16-M61 HydrophobicContact CZ2-CB 3.89Å; W16-M61 HydrophobicContact CZ3-CB 4.2Å; W16-M61 HydrophobicContact CZ3-CE 4.34Å; W16-Y75 WeakPolarHBondContact CA-O 3.33Å; W16-C76 HydrophobicContact CD2-CB 4.48Å; W16-C76 HydrophobicContact CE3-CB 4.13Å; W16-C76 HydrophobicContact CH2-CB 4.17Å; W16-C76 HydrophobicContact CZ3-CB 3.97Å
17	V	97.1	Very high	94.9	Very high	6 Å²	6	54.3 Å²	54.3	4%	0.036	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	139.3	-172.8	-176.6	0	0	0	0	109.5	L25 E26 Y74 Y75 W88	V17-L25 HydrophobicContact CG1-CB 3.83Å; V17-L25 HydrophobicContact CG1-CD2 3.84Å; V17-L25 HydrophobicContact CG1-CG 4.35Å; V17-E26 CarbonylContact C-O 3.5Å; V17-E26 WeakPolarHBondContact CA-O 3.4Å; V17-E26 WeakPolarHBondContact CG1-O 3.3Å; V17-Y74 CarbonylContact O-C 3.58Å; V17-Y74 WeakPolarHBondContact O-CA 3.2Å; V17-Y75 PolarHBondContact N-O 3.06Å; V17-Y75 PolarHBondContact O-N 3.12Å; V17-W88 HydrophobicContact CB-CH2 4.01Å; V17-W88 HydrophobicContact CB-CZ3 3.78Å; V17-W88 HydrophobicContact CG1-CH2 4.01Å; V17-W88 HydrophobicContact CG1-CZ3 4.02Å; V17-W88 HydrophobicContact CG2-CH2 3.65Å; V17-W88 HydrophobicContact CG2-CZ3 3.82Å
18	K	96.4	Very high	95.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	143	175.8	-176	-176.6	178.1	-172.1	0	109.6	E26 I28 F44 E69 D70 A72 V73 Y74	K18-E26 HydrophobicContact CB-CB 4.4Å; K18-E26 PolarHBondContact N-O 2.81Å; K18-E26 PolarHBondContact O-N 2.79Å; K18-I28 HydrophobicContact CB-CD1 4.05Å; K18-I28 HydrophobicContact CB-CG1 4.22Å; K18-F44 HydrophobicContact CD-CE1 4.05Å; K18-F44 HydrophobicContact CD-CZ 4.28Å; K18-E69 PolarHBondContact NZ-O 2.87Å; K18-D70 WeakPolarHBondContact CE-O 3.44Å; K18-D70 IonicContact NZ-OD1 3.49Å; K18-D70 PolarHBondContact NZ-OD1 2.81Å; K18-D70 VanDerWaalsContact NZ-OD1 3.12Å; K18-A72 HydrophobicContact CD-CB 4.06Å; K18-A72 VanDerWaalsContact CE-CB 3.48Å; K18-A72 HydrophobicContact CG-CB 3.41Å; K18-A72 VanDerWaalsContact CG-CB 3.41Å; K18-V73 CarbonylContact C-O 3.57Å; K18-Y74 HydrophobicContact CB-CD1 4.27Å; K18-Y74 HydrophobicContact CB-CE1 4.07Å; K18-Y74 HydrophobicContact CD-CE1 4.14Å; K18-Y74 HydrophobicContact CG-CD1 4.41Å; K18-Y74 HydrophobicContact CG-CE1 3.94Å; K18-Y74 HydrophobicContact CG-CE2 4.41Å
19	Q	97.4	Very high	95.3	Very high	65 Å²	65	47.4 Å²	47.4	30%	0.304	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	116.1	170.8	-166.7	-177.9	23.2	0	0	110.2	L25 A72 V73 Y75	Q19-L25 HydrophobicContact CB-CD2 3.94Å; Q19-L25 HydrophobicContact CG-CD2 4.07Å; Q19-A72 WeakPolarHBondContact O-CA 3.38Å; Q19-A72 VanDerWaalsContact O-CB 3.29Å; Q19-A72 WeakPolarHBondContact O-CB 3.48Å; Q19-V73 PolarHBondContact N-O 3.32Å; Q19-V73 PolarHBondContact O-N 2.91Å; Q19-Y75 HydrophobicContact CB-CD2 4.49Å; Q19-Y75 HydrophobicContact CB-CE2 3.75Å; Q19-Y75 PolarHBondContact OE1-OH 2.8Å
20	R	95.9	Very high	95.4	Very high	61 Å²	61	47.5 Å²	47.5	23%	0.23	27%	0.274	C	S	.	.			trans	-83.1	151.3	170.1	-64.4	-169.3	-175.2	117.9	-10	110.5	G22 Q23 E26 E69 A72	R20-G22 PolarHBondContact O-N 2.97Å; R20-Q23 HydrophobicContact CB-CB 4.01Å; R20-Q23 HydrophobicContact CB-CG 4.02Å; R20-Q23 PolarHBondContact O-N 3.19Å; R20-E26 IonicContact NH1-OE2 2.76Å; R20-E26 PolarHBondContact NH1-OE2 3.35Å; R20-E69 VanDerWaalsContact CZ-O 3.26Å; R20-E69 PolarHBondContact NE-O 3.02Å; R20-E69 PolarHBondContact NH2-O 2.85Å; R20-A72 HydrophobicContact CG-CB 4.2Å
21	P	92.1	Very high	95.5	Very high	119 Å²	119	45.5 Å²	45.5	77%	0.773	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	127.6	172.6	-25.4	34.6	0	0	0	111.4	Q23	P21-Q23 PolarHBondContact O-N 2.93Å
22	G	92.7	Very high	95.7	Very high	92 Å²	92	43.7 Å²	43.7	95%	0.948	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.5	4.3	-179.4	0	0	0	0	0	115.8	R20	R20-G22 PolarHBondContact O-N 2.97Å
23	Q	93.8	Very high	95.9	Very high	98 Å²	98	39.3 Å²	39.3	46%	0.458	23%	0.228	S	C	.	.	S	Bend	trans	-112.3	162.2	176.3	-58.8	-168.5	-7.1	0	0	112	R20 P21	R20-Q23 HydrophobicContact CB-CB 4.01Å; R20-Q23 HydrophobicContact CB-CG 4.02Å; R20-Q23 PolarHBondContact O-N 3.19Å; P21-Q23 PolarHBondContact O-N 2.93Å
24	G	93.8	Very high	95.9	Very high	53 Å²	53	41.7 Å²	41.7	55%	0.546	24%	0.244	S	C	.	.			trans	-68.4	173.9	173.6	0	0	0	0	0	113.3
25	L	94.9	Very high	95.9	Very high	97 Å²	97	44.9 Å²	44.9	51%	0.508	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	128	174.1	-66.6	170.5	0	0	0	110.4	V17 Q19 Y75 W88	V17-L25 HydrophobicContact CG1-CB 3.83Å; V17-L25 HydrophobicContact CG1-CD2 3.84Å; V17-L25 HydrophobicContact CG1-CG 4.35Å; Q19-L25 HydrophobicContact CB-CD2 3.94Å; Q19-L25 HydrophobicContact CG-CD2 4.07Å; L25-Y75 HydrophobicContact CD2-CE2 4.45Å; L25-W88 HydrophobicContact CD1-CH2 4.08Å
26	E	96	Very high	95.9	Very high	37 Å²	37	46 Å²	46	17%	0.173	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.2	174.6	-64.6	-169.9	92.4	0	0	109.7	V17 K18 R20 I28 K43 F44	V17-E26 CarbonylContact C-O 3.5Å; V17-E26 WeakPolarHBondContact CA-O 3.4Å; V17-E26 WeakPolarHBondContact CG1-O 3.3Å; K18-E26 HydrophobicContact CB-CB 4.4Å; K18-E26 PolarHBondContact N-O 2.81Å; K18-E26 PolarHBondContact O-N 2.79Å; R20-E26 IonicContact NH1-OE2 2.76Å; R20-E26 PolarHBondContact NH1-OE2 3.35Å; E26-I28 PolarHBondContact O-N 3.04Å; E26-K43 IonicContact OE1-NZ 3.46Å; E26-F44 HydrophobicContact CB-CE2 4.34Å; E26-F44 HydrophobicContact CB-CZ 4.2Å
27	W	95.8	Very high	95.8	Very high	80 Å²	80	48.1 Å²	48.1	30%	0.303	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	127.2	175.5	-177.9	74.6	0	0	0	110.7	H15 G29 M30 N39 N41	H15-W27 AromaticContact ND1-NE1 3.34Å; H15-W27 PolarHBondContact ND1-NE1 2.87Å; W27-G29 VanDerWaalsContact CE2-C 3.49Å; W27-G29 PolarHBondContact NE1-O 2.94Å; W27-G29 VanDerWaalsContact NE1-O 3.14Å; W27-M30 HydrophobicContact CZ2-CB 3.96Å; W27-M30 HydrophobicContact CZ2-CE 4.28Å; W27-M30 HydrophobicContact CZ2-CG 3.74Å; W27-M30 HydrophobicContact CZ2-SD 4.08Å; W27-N39 HydrophobicContact CH2-CB 4.26Å; W27-N41 HydrophobicContact CE3-CB 3.84Å; W27-N41 HydrophobicContact CZ3-CB 4.06Å; W27-N41 WeakPolarHBondContact O-CB 3.5Å; W27-N41 PolarHBondContact O-ND2 3.1Å
28	I	97.1	Very high	95.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-48.9	-178.4	-62.1	173.1	0	0	0	110.3	W16 K18 E26 N41 F44 A48 M61 Y74	W16-I28 HydrophobicContact CB-CB 4.12Å; W16-I28 HydrophobicContact CB-CD1 4.31Å; W16-I28 WeakPolarHBondContact O-CB 3.43Å; W16-I28 PolarHBondContact O-N 2.97Å; K18-I28 HydrophobicContact CB-CD1 4.05Å; K18-I28 HydrophobicContact CB-CG1 4.22Å; E26-I28 PolarHBondContact O-N 3.04Å; I28-N41 PolarHBondContact O-N 3.05Å; I28-F44 HydrophobicContact CB-CB 4.49Å; I28-F44 HydrophobicContact CB-CD2 4.38Å; I28-F44 HydrophobicContact CB-CG 4.3Å; I28-F44 HydrophobicContact CG1-CD1 4.23Å; I28-F44 HydrophobicContact CG1-CD2 4.29Å; I28-F44 HydrophobicContact CG1-CE1 4.33Å; I28-F44 HydrophobicContact CG1-CE2 4.37Å; I28-F44 HydrophobicContact CG1-CG 4.21Å; I28-F44 HydrophobicContact CG1-CZ 4.39Å; I28-F44 HydrophobicContact CG2-CB 3.75Å; I28-F44 HydrophobicContact CG2-CD1 4.44Å; I28-F44 HydrophobicContact CG2-CG 4.01Å; I28-A48 HydrophobicContact CG2-CB 3.78Å; I28-M61 HydrophobicContact CD1-CE 3.82Å; I28-M61 HydrophobicContact CD1-SD 3.64Å; I28-M61 HydrophobicContact CG2-SD 3.91Å; I28-Y74 HydrophobicContact CD1-CD1 3.71Å; I28-Y74 HydrophobicContact CD1-CE1 3.74Å
29	G	96.7	Very high	95.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.6	179.8	-172.2	0	0	0	0	0	112.2	H15 W16 W27 N39	H15-G29 WeakPolarHBondContact CA-O 3.48Å; W16-G29 PolarHBondContact N-O 3.49Å; W27-G29 VanDerWaalsContact CE2-C 3.49Å; W27-G29 PolarHBondContact NE1-O 2.94Å; W27-G29 VanDerWaalsContact NE1-O 3.14Å; G29-N39 CarbonylContact C-O 3.45Å; G29-N39 WeakPolarHBondContact CA-O 3.33Å
30	M	96.6	Very high	95.7	Very high	9 Å²	9	52.5 Å²	52.5	4%	0.044	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	155.4	174.1	66.5	-172.6	164.2	0	0	111.9	W13 M14 H15 W27 T38 N39 Y81	W13-M30 HydrophobicContact CB-SD 4.39Å; W13-M30 HydrophobicContact CD2-CG 4.36Å; W13-M30 HydrophobicContact CD2-SD 4.06Å; W13-M30 HydrophobicContact CE3-CB 4.07Å; W13-M30 HydrophobicContact CE3-CE 4.43Å; W13-M30 HydrophobicContact CE3-CG 3.5Å; W13-M30 VanDerWaalsContact CE3-CG 3.5Å; W13-M30 HydrophobicContact CE3-SD 3.76Å; W13-M30 HydrophobicContact CG-SD 4.34Å; W13-M30 HydrophobicContact CZ3-CE 4.49Å; W13-M30 HydrophobicContact CZ3-CG 3.88Å; W13-M30 HydrophobicContact CZ3-SD 4.35Å; M14-M30 CarbonylContact O-C 3.53Å; M14-M30 WeakPolarHBondContact O-CA 3.49Å; M14-M30 WeakPolarHBondContact O-CB 3.17Å; H15-M30 HydrophobicContact CB-CB 4.49Å; H15-M30 PolarHBondContact CE1-SD 3.04Å; W27-M30 HydrophobicContact CZ2-CB 3.96Å; W27-M30 HydrophobicContact CZ2-CE 4.28Å; W27-M30 HydrophobicContact CZ2-CG 3.74Å; W27-M30 HydrophobicContact CZ2-SD 4.08Å; M30-T38 VanDerWaalsContact O-CA 3.28Å; M30-T38 WeakPolarHBondContact O-CA 3.46Å; M30-N39 HydrophobicContact CE-CB 3.78Å; M30-N39 HydrophobicContact CG-CB 4.21Å; M30-N39 PolarHBondContact N-O 2.82Å; M30-N39 PolarHBondContact O-N 3.13Å; M30-Y81 HydrophobicContact CE-CD2 3.29Å; M30-Y81 HydrophobicContact CE-CE2 3.17Å; M30-Y81 HydrophobicContact CE-CG 4.24Å; M30-Y81 HydrophobicContact SD-CD2 4.25Å
31	I	97.4	Very high	95.7	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136.3	174.1	-173.9	160.8	0	0	0	110.1	W13 M14 P33 S37 T38 L50 V52	W13-I31 VanDerWaalsContact CE3-C 3.46Å; M14-I31 HydrophobicContact CB-CG2 4.22Å; M14-I31 PolarHBondContact N-O 3.12Å; M14-I31 PolarHBondContact O-N 2.89Å; I31-P33 WeakPolarHBondContact O-CD 3.2Å; I31-S37 CarbonylContact C-O 3.6Å; I31-S37 WeakPolarHBondContact CA-O 3.48Å; I31-T38 HydrophobicContact CB-CG2 3.96Å; I31-T38 HydrophobicContact CD1-CG2 3.71Å; I31-T38 HydrophobicContact CG1-CG2 3.77Å; I31-L50 HydrophobicContact CB-CB 4.08Å; I31-L50 HydrophobicContact CB-CD1 4.36Å; I31-L50 HydrophobicContact CD1-CB 4.23Å; I31-L50 HydrophobicContact CG2-CB 4.3Å; I31-V52 HydrophobicContact CD1-CG1 3.88Å; I31-V52 HydrophobicContact CD1-CG2 4.13Å; I31-V52 HydrophobicContact CG1-CG1 4.03Å; I31-V52 HydrophobicContact CG2-CG1 3.78Å
32	H	96.5	Very high	95.9	Very high	32 Å²	32	52.4 Å²	52.4	15%	0.148	32%	0.317	C	S	.	.			trans	-90	113.2	172.3	-169.5	-115.8	0	0	0	109.5	W13 N34 S35 G36 S37	W13-H32 AromaticContact CD1-CD2 3.82Å; W13-H32 HydrophobicContact CD2-CB 3.74Å; W13-H32 AromaticContact CD2-CD2 3.97Å; W13-H32 AromaticContact CE2-CD2 3.72Å; W13-H32 AromaticContact CE2-CG 3.94Å; W13-H32 HydrophobicContact CE3-CB 3.63Å; W13-H32 VanDerWaalsContact CE3-N 3.28Å; W13-H32 HydrophobicContact CH2-CB 3.63Å; W13-H32 HydrophobicContact CZ2-CB 3.69Å; W13-H32 HydrophobicContact CZ3-CB 3.59Å; W13-H32 AromaticContact NE1-CD2 3.59Å; H32-N34 PolarHBondContact O-N 3.12Å; H32-N34 VanDerWaalsContact O-N 3.16Å; H32-S35 WeakPolarHBondContact CB-OG 3Å; H32-S35 PolarHBondContact ND1-N 2.86Å; H32-S35 PolarHBondContact ND1-OG 3.17Å; H32-S35 PolarHBondContact O-N 3.45Å; H32-G36 WeakPolarHBondContact O-CA 3Å; H32-G36 PolarHBondContact O-N 3.21Å; H32-S37 PolarHBondContact N-O 3.09Å
33	P	96.6	Very high	95.9	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.8	-171.9	-21.3	34.1	0	0	0	114.3	F9 Y12 I31 V52 K54	F9-P33 HydrophobicContact CD1-CB 3.78Å; F9-P33 HydrophobicContact CD1-CG 4.25Å; F9-P33 HydrophobicContact CD2-CG 4.11Å; F9-P33 HydrophobicContact CE1-CB 3.46Å; F9-P33 VanDerWaalsContact CE1-CB 3.46Å; F9-P33 HydrophobicContact CE1-CG 3.86Å; F9-P33 HydrophobicContact CE2-CB 4.23Å; F9-P33 HydrophobicContact CE2-CG 3.68Å; F9-P33 HydrophobicContact CG-CB 4.32Å; F9-P33 HydrophobicContact CG-CG 4.39Å; F9-P33 HydrophobicContact CZ-CB 3.71Å; F9-P33 HydrophobicContact CZ-CG 3.55Å; Y12-P33 WeakPolarHBondContact O-CD 3.31Å; I31-P33 WeakPolarHBondContact O-CD 3.2Å; P33-V52 HydrophobicContact CB-CB 4.46Å; P33-V52 HydrophobicContact CB-CG1 4.04Å; P33-V52 HydrophobicContact CG-CG1 4.22Å; P33-K54 WeakPolarHBondContact O-CE 3.24Å
34	N	96.3	Very high	95.9	Very high	91 Å²	91	50.7 Å²	50.7	49%	0.487	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-52.6	175.2	-168.4	27.5	0	0	0	112.3	T10 H32 K54	T10-N34 WeakPolarHBondContact O-CB 3.42Å; H32-N34 PolarHBondContact O-N 3.12Å; H32-N34 VanDerWaalsContact O-N 3.16Å; N34-K54 PolarHBondContact O-NZ 3.17Å
35	S	96.1	Very high	95.9	Very high	70 Å²	70	53.5 Å²	53.5	49%	0.49	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-15.5	-172	57.2	0	0	0	0	113.8	H32 S37	H32-S35 WeakPolarHBondContact CB-OG 3Å; H32-S35 PolarHBondContact ND1-N 2.86Å; H32-S35 PolarHBondContact ND1-OG 3.17Å; H32-S35 PolarHBondContact O-N 3.45Å; S35-S37 WeakPolarHBondContact CB-OG 3.12Å; S35-S37 PolarHBondContact O-N 2.88Å; S35-S37 WeakPolarHBondContact OG-CB 3.45Å; S35-S37 PolarHBondContact OG-N 2.93Å; S35-S37 PolarHBondContact OG-OG 2.76Å
36	G	96.1	Very high	95.9	Very high	37 Å²	37	53.8 Å²	53.8	38%	0.381	29%	0.289	S	S	.	.			trans	70.7	4	-171	0	0	0	0	0	113.6	H32 T38	H32-G36 WeakPolarHBondContact O-CA 3Å; H32-G36 PolarHBondContact O-N 3.21Å; G36-T38 PolarHBondContact O-N 3.46Å
37	S	96.6	Very high	95.9	Very high	58 Å²	58	54.4 Å²	54.4	41%	0.406	29%	0.291	S	S	.	.			trans	-60.8	133.8	178.2	-53.8	0	0	0	0	109.9	W13 I31 H32 S35	W13-S37 VanDerWaalsContact CZ3-O 3.25Å; W13-S37 WeakPolarHBondContact CZ3-O 3.38Å; I31-S37 CarbonylContact C-O 3.6Å; I31-S37 WeakPolarHBondContact CA-O 3.48Å; H32-S37 PolarHBondContact N-O 3.09Å; S35-S37 WeakPolarHBondContact CB-OG 3.12Å; S35-S37 PolarHBondContact O-N 2.88Å; S35-S37 WeakPolarHBondContact OG-CB 3.45Å; S35-S37 PolarHBondContact OG-N 2.93Å; S35-S37 PolarHBondContact OG-OG 2.76Å
38	T	97	Very high	96	Very high	64 Å²	64	50.7 Å²	50.7	39%	0.393	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	149.8	179.5	51.6	0	0	0	0	110.8	M30 I31 G36 Y40 L50	M30-T38 VanDerWaalsContact O-CA 3.28Å; M30-T38 WeakPolarHBondContact O-CA 3.46Å; I31-T38 HydrophobicContact CB-CG2 3.96Å; I31-T38 HydrophobicContact CD1-CG2 3.71Å; I31-T38 HydrophobicContact CG1-CG2 3.77Å; G36-T38 PolarHBondContact O-N 3.46Å; T38-Y40 HydrophobicContact CG2-CE2 4.37Å; T38-Y40 WeakPolarHBondContact OG1-CE2 3.07Å; T38-L50 HydrophobicContact CG2-CB 4.14Å
39	N	95.9	Very high	96	Very high	59 Å²	59	54 Å²	54	32%	0.316	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	143	166.7	-164.9	-12.4	0	0	0	108.1	W27 G29 M30 Y81	W27-N39 HydrophobicContact CH2-CB 4.26Å; G29-N39 CarbonylContact C-O 3.45Å; G29-N39 WeakPolarHBondContact CA-O 3.33Å; M30-N39 HydrophobicContact CE-CB 3.78Å; M30-N39 HydrophobicContact CG-CB 4.21Å; M30-N39 PolarHBondContact N-O 2.82Å; M30-N39 PolarHBondContact O-N 3.13Å; N39-Y81 PolarHBondContact ND2-OH 2.82Å
40	Y	96.8	Very high	96.1	Very high	40 Å²	40	54.4 Å²	54.4	16%	0.157	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	149.4	-173.2	-67.7	-88.5	0	0	0	110.2	T38 K45 A48 L50	T38-Y40 HydrophobicContact CG2-CE2 4.37Å; T38-Y40 WeakPolarHBondContact OG1-CE2 3.07Å; Y40-K45 HydrophobicContact CD2-CG 4.41Å; Y40-K45 HydrophobicContact CG-CB 4.46Å; Y40-K45 HydrophobicContact CG-CG 4.24Å; Y40-A48 HydrophobicContact CE1-CB 4.41Å; Y40-A48 WeakPolarHBondContact CE1-O 3.4Å; Y40-L50 HydrophobicContact CE1-CD1 3.98Å; Y40-L50 HydrophobicContact CE1-CG 3.67Å; Y40-L50 PolarHBondContact OH-N 2.82Å
41	N	95.7	Very high	96.2	Very high	47 Å²	47	57.2 Å²	57.2	25%	0.251	32%	0.318	S	S	.	.			trans	-74.3	130.6	156.4	-179.9	-21.2	0	0	0	108.3	W27 I28 K43 F44 K45	W27-N41 HydrophobicContact CE3-CB 3.84Å; W27-N41 HydrophobicContact CZ3-CB 4.06Å; W27-N41 WeakPolarHBondContact O-CB 3.5Å; W27-N41 PolarHBondContact O-ND2 3.1Å; I28-N41 PolarHBondContact O-N 3.05Å; N41-K43 PolarHBondContact O-N 2.03Å; N41-K43 PolarHBondContact OD1-N 2.81Å; N41-K43 VanDerWaalsContact OD1-N 3.13Å; N41-F44 HydrophobicContact CB-CD2 4Å; N41-F44 PolarHBondContact O-N 2.85Å; N41-K45 PolarHBondContact O-N 2.85Å; N41-K45 VanDerWaalsContact O-N 3.17Å
42	E	95.3	Very high	96.2	Very high	131 Å²	131	58.9 Å²	58.9	61%	0.612	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-30.7	-177.1	-69.4	-61	148.2	0	0	112.9	F44 K45	E42-F44 PolarHBondContact O-N 3.05Å; E42-K45 IonicContact OE1-NZ 3.12Å; E42-K45 PolarHBondContact OE1-NZ 2.79Å; E42-K45 VanDerWaalsContact OE2-CD 3.28Å; E42-K45 WeakPolarHBondContact OE2-CD 3.28Å; E42-K45 IonicContact OE2-NZ 3.93Å; E42-K45 PolarHBondContact OE2-NZ 2.88Å
43	K	92.9	Very high	96.2	Very high	143 Å²	143	59.8 Å²	59.8	62%	0.622	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-29.3	174.8	-69.9	-177.9	177	-177.8	0	114.3	E26 N41	E26-K43 IonicContact OE1-NZ 3.46Å; N41-K43 PolarHBondContact O-N 2.03Å; N41-K43 PolarHBondContact OD1-N 2.81Å; N41-K43 VanDerWaalsContact OD1-N 3.13Å
44	F	94.9	Very high	96.2	Very high	12 Å²	12	65.1 Å²	65.1	5%	0.053	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-8.3	-172.2	-60.6	-82.3	0	0	0	113.4	K18 E26 I28 N41 E42 S46 K47 A48	K18-F44 HydrophobicContact CD-CE1 4.05Å; K18-F44 HydrophobicContact CD-CZ 4.28Å; E26-F44 HydrophobicContact CB-CE2 4.34Å; E26-F44 HydrophobicContact CB-CZ 4.2Å; I28-F44 HydrophobicContact CB-CB 4.49Å; I28-F44 HydrophobicContact CB-CD2 4.38Å; I28-F44 HydrophobicContact CB-CG 4.3Å; I28-F44 HydrophobicContact CG1-CD1 4.23Å; I28-F44 HydrophobicContact CG1-CD2 4.29Å; I28-F44 HydrophobicContact CG1-CE1 4.33Å; I28-F44 HydrophobicContact CG1-CE2 4.37Å; I28-F44 HydrophobicContact CG1-CG 4.21Å; I28-F44 HydrophobicContact CG1-CZ 4.39Å; I28-F44 HydrophobicContact CG2-CB 3.75Å; I28-F44 HydrophobicContact CG2-CD1 4.44Å; I28-F44 HydrophobicContact CG2-CG 4.01Å; N41-F44 HydrophobicContact CB-CD2 4Å; N41-F44 PolarHBondContact O-N 2.85Å; E42-F44 PolarHBondContact O-N 3.05Å; F44-S46 PolarHBondContact O-N 2.84Å; F44-S46 VanDerWaalsContact O-N 3.16Å; F44-K47 PolarHBondContact O-N 3.42Å; F44-A48 HydrophobicContact CB-CB 4.47Å; F44-A48 PolarHBondContact O-N 3.34Å
45	K	93.8	Very high	96.1	Very high	111 Å²	111	66 Å²	66	48%	0.483	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-31.3	-174.7	-167.5	177.4	-171.5	175.5	0	114	Y40 N41 E42	Y40-K45 HydrophobicContact CD2-CG 4.41Å; Y40-K45 HydrophobicContact CG-CB 4.46Å; Y40-K45 HydrophobicContact CG-CG 4.24Å; N41-K45 PolarHBondContact O-N 2.85Å; N41-K45 VanDerWaalsContact O-N 3.17Å; E42-K45 IonicContact OE1-NZ 3.12Å; E42-K45 PolarHBondContact OE1-NZ 2.79Å; E42-K45 VanDerWaalsContact OE2-CD 3.28Å; E42-K45 WeakPolarHBondContact OE2-CD 3.28Å; E42-K45 IonicContact OE2-NZ 3.93Å; E42-K45 PolarHBondContact OE2-NZ 2.88Å
46	S	94.4	Very high	96.2	Very high	103 Å²	103	64.5 Å²	64.5	72%	0.72	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-15.4	175.9	58.4	0	0	0	0	114.2	F44	F44-S46 PolarHBondContact O-N 2.84Å; F44-S46 VanDerWaalsContact O-N 3.16Å
47	K	95.1	Very high	96.2	Very high	50 Å²	50	64.6 Å²	64.6	22%	0.217	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-25.3	-175.4	-66.9	-167.5	174	-170.8	0	113.7	F44 L63 S64 D70	F44-K47 PolarHBondContact O-N 3.42Å; K47-L63 CarbonylContact O-C 3.55Å; K47-L63 VanDerWaalsContact O-CA 3.29Å; K47-L63 WeakPolarHBondContact O-CA 3.36Å; K47-S64 PolarHBondContact O-N 2.92Å; K47-S64 PolarHBondContact O-OG 3.32Å; K47-D70 IonicContact NZ-OD1 2.83Å; K47-D70 PolarHBondContact NZ-OD1 2.99Å; K47-D70 IonicContact NZ-OD2 3.43Å; K47-D70 PolarHBondContact NZ-OD2 3.43Å
48	A	97.4	Very high	96.3	Very high	3 Å²	3	62.2 Å²	62.2	3%	0.025	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.3	-171.8	0	0	0	0	0	111.4	I28 Y40 F44 M61 Q62 L63	I28-A48 HydrophobicContact CG2-CB 3.78Å; Y40-A48 HydrophobicContact CE1-CB 4.41Å; Y40-A48 WeakPolarHBondContact CE1-O 3.4Å; F44-A48 HydrophobicContact CB-CB 4.47Å; F44-A48 PolarHBondContact O-N 3.34Å; A48-M61 HydrophobicContact CB-CG 4.44Å; A48-Q62 WeakPolarHBondContact CA-O 3.42Å; A48-L63 HydrophobicContact CB-CD2 3.94Å
49	T	98.2	Very high	96.4	Very high	68 Å²	68	59.1 Å²	59.1	42%	0.417	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.5	169.8	-59.3	0	0	0	0	108.9	T51 M61 Q62	T49-T51 HydrophobicContact CG2-CG2 4.27Å; T49-M61 WeakPolarHBondContact O-CA 2.88Å; T49-Q62 PolarHBondContact N-O 2.9Å; T49-Q62 PolarHBondContact O-N 2.86Å
50	L	98.4	Very high	96.5	Very high	9 Å²	9	60.4 Å²	60.4	5%	0.047	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.1	178.8	-52.6	-175.5	0	0	0	110.9	W16 I31 T38 Y40 Y60 M61	W16-L50 VanDerWaalsContact CD1-CD2 3.44Å; W16-L50 HydrophobicContact CG-CD2 4.09Å; I31-L50 HydrophobicContact CB-CB 4.08Å; I31-L50 HydrophobicContact CB-CD1 4.36Å; I31-L50 HydrophobicContact CD1-CB 4.23Å; I31-L50 HydrophobicContact CG2-CB 4.3Å; T38-L50 HydrophobicContact CG2-CB 4.14Å; Y40-L50 HydrophobicContact CE1-CD1 3.98Å; Y40-L50 HydrophobicContact CE1-CG 3.67Å; Y40-L50 PolarHBondContact OH-N 2.82Å; L50-Y60 WeakPolarHBondContact CA-O 3.29Å; L50-M61 HydrophobicContact CD2-CB 3.72Å; L50-M61 HydrophobicContact CD2-CG 3.66Å; L50-M61 HydrophobicContact CD2-SD 4.17Å
51	T	98.3	Very high	96.5	Very high	69 Å²	69	60 Å²	60	42%	0.423	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	165.8	176.3	64.3	0	0	0	0	111.1	T49 Y60	T49-T51 HydrophobicContact CG2-CG2 4.27Å; T51-Y60 PolarHBondContact N-O 3Å; T51-Y60 PolarHBondContact O-N 2.87Å; T51-Y60 WeakPolarHBondContact OG1-CB 3.43Å
52	V	98.1	Very high	96.7	Very high	38 Å²	38	64 Å²	64	23%	0.23	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	141.3	-179.7	-73.8	0	0	0	0	110.5	F9 I31 P33 T58 A59	F9-V52 HydrophobicContact CZ-CG1 4.23Å; I31-V52 HydrophobicContact CD1-CG1 3.88Å; I31-V52 HydrophobicContact CD1-CG2 4.13Å; I31-V52 HydrophobicContact CG1-CG1 4.03Å; I31-V52 HydrophobicContact CG2-CG1 3.78Å; P33-V52 HydrophobicContact CB-CB 4.46Å; P33-V52 HydrophobicContact CB-CG1 4.04Å; P33-V52 HydrophobicContact CG-CG1 4.22Å; V52-T58 WeakPolarHBondContact CA-O 3.33Å; V52-A59 HydrophobicContact CG1-CB 4.2Å
53	D	97.5	Very high	96.7	Very high	52 Å²	52	59.7 Å²	59.7	28%	0.278	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	109	163.4	174.5	10.5	0	0	0	108.4	S55 S56 S57 T58 Y60	D53-S55 VanDerWaalsContact C-N 3.31Å; D53-S55 WeakPolarHBondContact OD1-CB 3.18Å; D53-S55 PolarHBondContact OD1-N 2.89Å; D53-S55 PolarHBondContact OD1-OG 3.14Å; D53-S55 PolarHBondContact OD2-OG 3.26Å; D53-S56 PolarHBondContact OD1-N 2.91Å; D53-S56 VanDerWaalsContact OD2-CB 3.24Å; D53-S56 WeakPolarHBondContact OD2-CB 3.24Å; D53-S56 PolarHBondContact OD2-OG 2.91Å; D53-S57 PolarHBondContact O-N 3.16Å; D53-S57 VanDerWaalsContact O-N 3.16Å; D53-T58 PolarHBondContact N-O 2.83Å; D53-T58 PolarHBondContact O-N 3.37Å; D53-Y60 HydrophobicContact CB-CE2 3.89Å
54	K	95.4	Very high	96.8	Very high	113 Å²	113	55.4 Å²	55.4	49%	0.491	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-33.2	-179.3	-57.2	-175.6	-169	-168.7	0	111.6	P33 N34 S57	P33-K54 WeakPolarHBondContact O-CE 3.24Å; N34-K54 PolarHBondContact O-NZ 3.17Å; K54-S57 PolarHBondContact O-N 3.22Å
55	S	95.3	Very high	96.8	Very high	110 Å²	110	59.7 Å²	59.7	77%	0.769	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-39.9	-175.3	72.7	0	0	0	0	111.7	D53	D53-S55 VanDerWaalsContact C-N 3.31Å; D53-S55 WeakPolarHBondContact OD1-CB 3.18Å; D53-S55 PolarHBondContact OD1-N 2.89Å; D53-S55 PolarHBondContact OD1-OG 3.14Å; D53-S55 PolarHBondContact OD2-OG 3.26Å
56	S	97	Very high	96.8	Very high	37 Å²	37	57.1 Å²	57.1	26%	0.259	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-1.2	176.9	68.2	0	0	0	0	114.1	D53 T58	D53-S56 PolarHBondContact OD1-N 2.91Å; D53-S56 VanDerWaalsContact OD2-CB 3.24Å; D53-S56 WeakPolarHBondContact OD2-CB 3.24Å; D53-S56 PolarHBondContact OD2-OG 2.91Å; S56-T58 VanDerWaalsContact C-N 3.27Å; S56-T58 PolarHBondContact O-N 3.43Å; S56-T58 PolarHBondContact O-OG1 3.42Å; S56-T58 WeakPolarHBondContact OG-CB 3.5Å; S56-T58 PolarHBondContact OG-OG1 2.88Å
57	S	97.1	Very high	96.8	Very high	39 Å²	39	55.2 Å²	55.2	27%	0.273	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	43.6	-171.7	-63.6	0	0	0	0	112.8	A4 F9 D53 K54	A4-S57 WeakPolarHBondContact CB-O 3.5Å; A4-S57 PolarHBondContact N-O 3.23Å; F9-S57 VanDerWaalsContact CD1-CA 3.45Å; D53-S57 PolarHBondContact O-N 3.16Å; D53-S57 VanDerWaalsContact O-N 3.16Å; K54-S57 PolarHBondContact O-N 3.22Å
58	T	98.3	Very high	96.8	Very high	8 Å²	8	56.3 Å²	56.3	5%	0.049	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.6	-174.7	-51	0	0	0	0	111	C2 K3 V52 D53 S56 Y60	C2-T58 WeakPolarHBondContact O-CA 3.46Å; K3-T58 HydrophobicContact CB-CG2 4.48Å; V52-T58 WeakPolarHBondContact CA-O 3.33Å; D53-T58 PolarHBondContact N-O 2.83Å; D53-T58 PolarHBondContact O-N 3.37Å; S56-T58 VanDerWaalsContact C-N 3.27Å; S56-T58 PolarHBondContact O-N 3.43Å; S56-T58 PolarHBondContact O-OG1 3.42Å; S56-T58 WeakPolarHBondContact OG-CB 3.5Å; S56-T58 PolarHBondContact OG-OG1 2.88Å; T58-Y60 HydrophobicContact CG2-CD2 4.22Å; T58-Y60 HydrophobicContact CG2-CE1 3.92Å; T58-Y60 HydrophobicContact CG2-CE2 3.55Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.44Å
59	A	98.1	Very high	96.5	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	149.2	166.8	0	0	0	0	0	110.4	S1 C2 F9 M14 W16 V52	S1-A59 CarbonylContact C-O 3.58Å; S1-A59 WeakPolarHBondContact CA-O 3.43Å; C2-A59 PolarHBondContact N-O 2.76Å; C2-A59 PolarHBondContact O-N 3.26Å; F9-A59 HydrophobicContact CE2-CB 4.43Å; F9-A59 HydrophobicContact CZ-CB 4.05Å; M14-A59 HydrophobicContact CB-CB 4.08Å; M14-A59 HydrophobicContact CG-CB 3.62Å; W16-A59 HydrophobicContact CZ2-CB 4.21Å; V52-A59 HydrophobicContact CG1-CB 4.2Å
60	Y	98.4	Very high	96.3	Very high	86 Å²	86	59.6 Å²	59.6	34%	0.337	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.9	179.2	-57.9	-98	0	0	0	110	S1 L50 T51 D53 T58	S1-Y60 VanDerWaalsContact CB-CD1 3.45Å; S1-Y60 VanDerWaalsContact CB-CE1 3.48Å; L50-Y60 WeakPolarHBondContact CA-O 3.29Å; T51-Y60 PolarHBondContact N-O 3Å; T51-Y60 PolarHBondContact O-N 2.87Å; T51-Y60 WeakPolarHBondContact OG1-CB 3.43Å; D53-Y60 HydrophobicContact CB-CE2 3.89Å; T58-Y60 HydrophobicContact CG2-CD2 4.22Å; T58-Y60 HydrophobicContact CG2-CE1 3.92Å; T58-Y60 HydrophobicContact CG2-CE2 3.55Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.44Å
61	M	98.1	Very high	96.2	Very high	30 Å²	30	60.8 Å²	60.8	15%	0.148	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.3	166.5	175.8	174.1	74.4	0	0	106.1	W16 I28 A48 T49 L50 L63 Y74	W16-M61 HydrophobicContact CB-CE 4.49Å; W16-M61 HydrophobicContact CB-SD 3.66Å; W16-M61 HydrophobicContact CD2-CB 3.65Å; W16-M61 HydrophobicContact CD2-CE 4.23Å; W16-M61 HydrophobicContact CD2-CG 4.41Å; W16-M61 HydrophobicContact CD2-SD 3.92Å; W16-M61 HydrophobicContact CE3-CB 3.95Å; W16-M61 HydrophobicContact CE3-CE 3.74Å; W16-M61 HydrophobicContact CE3-SD 4.06Å; W16-M61 HydrophobicContact CG-CB 4.12Å; W16-M61 HydrophobicContact CG-SD 3.77Å; W16-M61 HydrophobicContact CH2-CB 4.18Å; W16-M61 HydrophobicContact CZ2-CB 3.89Å; W16-M61 HydrophobicContact CZ3-CB 4.2Å; W16-M61 HydrophobicContact CZ3-CE 4.34Å; I28-M61 HydrophobicContact CD1-CE 3.82Å; I28-M61 HydrophobicContact CD1-SD 3.64Å; I28-M61 HydrophobicContact CG2-SD 3.91Å; A48-M61 HydrophobicContact CB-CG 4.44Å; T49-M61 WeakPolarHBondContact O-CA 2.88Å; L50-M61 HydrophobicContact CD2-CB 3.72Å; L50-M61 HydrophobicContact CD2-CG 3.66Å; L50-M61 HydrophobicContact CD2-SD 4.17Å; M61-L63 HydrophobicContact CE-CD1 4.07Å; M61-L63 HydrophobicContact CE-CD2 4.21Å; M61-L63 HydrophobicContact CE-CG 4.2Å; M61-L63 HydrophobicContact CG-CD2 4.15Å; M61-L63 HydrophobicContact CG-CG 4.3Å; M61-L63 HydrophobicContact SD-CD2 4.12Å; M61-Y74 HydrophobicContact CE-CD1 3.47Å; M61-Y74 VanDerWaalsContact CE-CD1 3.47Å; M61-Y74 HydrophobicContact CE-CE1 4.03Å; M61-Y74 HydrophobicContact CE-CG 4.3Å
62	Q	97.9	Very high	96.2	Very high	133 Å²	133	57.8 Å²	57.8	62%	0.621	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.1	170.1	-176.9	175.9	3.4	0	0	107.7	A48 T49	A48-Q62 WeakPolarHBondContact CA-O 3.42Å; T49-Q62 PolarHBondContact N-O 2.9Å; T49-Q62 PolarHBondContact O-N 2.86Å
63	L	96.6	Very high	96.2	Very high	40 Å²	40	57.8 Å²	57.8	21%	0.209	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.3	175.2	-64.2	169.8	0	0	0	109.4	K47 A48 M61 L66 Y74 L94	K47-L63 CarbonylContact O-C 3.55Å; K47-L63 VanDerWaalsContact O-CA 3.29Å; K47-L63 WeakPolarHBondContact O-CA 3.36Å; A48-L63 HydrophobicContact CB-CD2 3.94Å; M61-L63 HydrophobicContact CE-CD1 4.07Å; M61-L63 HydrophobicContact CE-CD2 4.21Å; M61-L63 HydrophobicContact CE-CG 4.2Å; M61-L63 HydrophobicContact CG-CD2 4.15Å; M61-L63 HydrophobicContact CG-CG 4.3Å; M61-L63 HydrophobicContact SD-CD2 4.12Å; L63-L66 HydrophobicContact CB-CD1 4.1Å; L63-L66 HydrophobicContact CB-CD2 3.79Å; L63-L66 HydrophobicContact CB-CG 4.14Å; L63-L66 HydrophobicContact CD1-CD2 4.24Å; L63-Y74 HydrophobicContact CD1-CD1 4.29Å; L63-Y74 HydrophobicContact CD1-CE1 3.67Å; L63-L94 HydrophobicContact CD1-CD2 3.82Å
64	S	95.5	Very high	96.2	Very high	52 Å²	52	55.7 Å²	55.7	36%	0.364	32%	0.316	S	S	.	.			trans	-127.8	160.1	177.5	58.2	0	0	0	0	111.2	K47 L66	K47-S64 PolarHBondContact O-N 2.92Å; K47-S64 PolarHBondContact O-OG 3.32Å; S64-L66 VanDerWaalsContact C-N 3.27Å; S64-L66 PolarHBondContact O-N 2.93Å
65	S	92.9	Very high	96.3	Very high	102 Å²	102	52.4 Å²	52.4	71%	0.713	30%	0.301	S	S	*	.	S	Bend	trans	52.4	44.7	176.9	-54	0	0	0	0	113.3
66	L	94.1	Very high	96.4	Very high	57 Å²	57	47.9 Å²	47.9	30%	0.298	27%	0.269	S	S	.	.			trans	-72.4	141.2	-177.7	-68.3	-179.4	0	0	0	111.6	L63 S64 D70 L94 V96	L63-L66 HydrophobicContact CB-CD1 4.1Å; L63-L66 HydrophobicContact CB-CD2 3.79Å; L63-L66 HydrophobicContact CB-CG 4.14Å; L63-L66 HydrophobicContact CD1-CD2 4.24Å; S64-L66 VanDerWaalsContact C-N 3.27Å; S64-L66 PolarHBondContact O-N 2.93Å; L66-D70 HydrophobicContact CB-CB 4.49Å; L66-D70 HydrophobicContact CD2-CB 3.68Å; L66-L94 HydrophobicContact CD1-CD2 3.85Å; L66-V96 HydrophobicContact CB-CG1 4.22Å; L66-V96 HydrophobicContact CB-CG2 4.07Å; L66-V96 HydrophobicContact CD1-CG2 4.09Å
67	T	94.7	Very high	96.3	Very high	63 Å²	63	46.2 Å²	46.2	39%	0.387	26%	0.258	S	S	.	.			trans	-117.5	173	171.2	67	0	0	0	0	110.7	E69 D70 V96	T67-E69 PolarHBondContact O-N 3.06Å; T67-E69 VanDerWaalsContact O-N 3.17Å; T67-D70 PolarHBondContact N-OD2 2.94Å; T67-D70 VanDerWaalsContact N-OD2 3.12Å; T67-D70 WeakPolarHBondContact O-CA 3.25Å; T67-D70 WeakPolarHBondContact O-CB 3.48Å; T67-D70 PolarHBondContact O-N 3.39Å; T67-V96 WeakPolarHBondContact O-CB 3.24Å; T67-V96 WeakPolarHBondContact O-CG1 3.39Å
68	S	94.6	Very high	96.1	Very high	73 Å²	73	46.4 Å²	46.4	51%	0.51	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-56.5	-30.6	176.4	54.7	0	0	0	0	113.1	D70 S71 V96	S68-D70 PolarHBondContact O-N 2.9Å; S68-S71 VanDerWaalsContact O-CB 3.31Å; S68-S71 WeakPolarHBondContact O-CB 3.28Å; S68-S71 PolarHBondContact O-N 3.06Å; S68-S71 VanDerWaalsContact O-N 3.09Å; S68-S71 PolarHBondContact O-OG 3.42Å; S68-V96 WeakPolarHBondContact CA-O 3.4Å
69	E	91.6	Very high	95.7	Very high	134 Å²	134	46.2 Å²	46.2	63%	0.626	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-67.1	-12	173.9	-58.8	-176.3	173.6	0	0	113.9	K18 R20 T67 S71	K18-E69 PolarHBondContact NZ-O 2.87Å; R20-E69 VanDerWaalsContact CZ-O 3.26Å; R20-E69 PolarHBondContact NE-O 3.02Å; R20-E69 PolarHBondContact NH2-O 2.85Å; T67-E69 PolarHBondContact O-N 3.06Å; T67-E69 VanDerWaalsContact O-N 3.17Å; E69-S71 VanDerWaalsContact C-N 3.32Å
70	D	94.4	Very high	94.8	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.032	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-84.1	-7.9	173.4	-66.6	-47.9	0	0	0	113.4	K18 K47 L66 T67 S68 A72 Y74	K18-D70 WeakPolarHBondContact CE-O 3.44Å; K18-D70 IonicContact NZ-OD1 3.49Å; K18-D70 PolarHBondContact NZ-OD1 2.81Å; K18-D70 VanDerWaalsContact NZ-OD1 3.12Å; K47-D70 IonicContact NZ-OD1 2.83Å; K47-D70 PolarHBondContact NZ-OD1 2.99Å; K47-D70 IonicContact NZ-OD2 3.43Å; K47-D70 PolarHBondContact NZ-OD2 3.43Å; L66-D70 HydrophobicContact CB-CB 4.49Å; L66-D70 HydrophobicContact CD2-CB 3.68Å; T67-D70 PolarHBondContact N-OD2 2.94Å; T67-D70 VanDerWaalsContact N-OD2 3.12Å; T67-D70 WeakPolarHBondContact O-CA 3.25Å; T67-D70 WeakPolarHBondContact O-CB 3.48Å; T67-D70 PolarHBondContact O-N 3.39Å; S68-D70 PolarHBondContact O-N 2.9Å; D70-A72 PolarHBondContact O-N 2.92Å; D70-Y74 WeakPolarHBondContact O-CE2 3.47Å; D70-Y74 PolarHBondContact O-OH 3.03Å
71	S	96.8	Very high	93.4	Very high	34 Å²	34	48.3 Å²	48.3	24%	0.238	27%	0.267	C	S	.	.			trans	-60.7	120	173.7	-57.1	0	0	0	0	111.5	S68 E69 L94 V96	S68-S71 VanDerWaalsContact O-CB 3.31Å; S68-S71 WeakPolarHBondContact O-CB 3.28Å; S68-S71 PolarHBondContact O-N 3.06Å; S68-S71 VanDerWaalsContact O-N 3.09Å; S68-S71 PolarHBondContact O-OG 3.42Å; E69-S71 VanDerWaalsContact C-N 3.32Å; S71-L94 CarbonylContact C-O 3.57Å; S71-L94 VanDerWaalsContact CA-O 3.23Å; S71-L94 WeakPolarHBondContact CA-O 3.43Å; S71-V96 PolarHBondContact OG-N 2.74Å; S71-V96 PolarHBondContact OG-O 2.98Å
72	A	97.5	Very high	92	Very high	6 Å²	6	56.6 Å²	56.6	5%	0.05	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	171.1	-172.2	0	0	0	0	0	111.5	K18 Q19 R20 D70 Y74 L94	K18-A72 HydrophobicContact CD-CB 4.06Å; K18-A72 VanDerWaalsContact CE-CB 3.48Å; K18-A72 HydrophobicContact CG-CB 3.41Å; K18-A72 VanDerWaalsContact CG-CB 3.41Å; Q19-A72 WeakPolarHBondContact O-CA 3.38Å; Q19-A72 VanDerWaalsContact O-CB 3.29Å; Q19-A72 WeakPolarHBondContact O-CB 3.48Å; R20-A72 HydrophobicContact CG-CB 4.2Å; D70-A72 PolarHBondContact O-N 2.92Å; A72-Y74 HydrophobicContact CB-CD2 4.29Å; A72-Y74 HydrophobicContact CB-CE2 3.81Å; A72-L94 PolarHBondContact N-O 3.21Å; A72-L94 PolarHBondContact O-N 2.64Å
73	V	98.3	Very high	90.2	Very high	38 Å²	38	59.2 Å²	59.2	23%	0.23	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	130	161.3	-170.6	0	0	0	0	108.8	K18 Q19 Y75 T92	K18-V73 CarbonylContact C-O 3.57Å; Q19-V73 PolarHBondContact N-O 3.32Å; Q19-V73 PolarHBondContact O-N 2.91Å; V73-Y75 HydrophobicContact CB-CE2 3.83Å; V73-Y75 HydrophobicContact CG1-CD1 4.48Å; V73-Y75 HydrophobicContact CG1-CD2 4.29Å; V73-Y75 HydrophobicContact CG1-CE1 3.81Å; V73-Y75 HydrophobicContact CG1-CE2 3.61Å; V73-Y75 WeakPolarHBondContact CG1-OH 3.34Å; V73-T92 CarbonylContact C-O 3.48Å; V73-T92 WeakPolarHBondContact CA-O 3.42Å
74	Y	98.2	Very high	88.6	Confident	9 Å²	9	60.8 Å²	60.8	4%	0.035	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.5	178.8	-72.2	-97.2	0	0	0	110.1	V17 K18 I28 M61 L63 D70 A72 G91 T92 L94	V17-Y74 CarbonylContact O-C 3.58Å; V17-Y74 WeakPolarHBondContact O-CA 3.2Å; K18-Y74 HydrophobicContact CB-CD1 4.27Å; K18-Y74 HydrophobicContact CB-CE1 4.07Å; K18-Y74 HydrophobicContact CD-CE1 4.14Å; K18-Y74 HydrophobicContact CG-CD1 4.41Å; K18-Y74 HydrophobicContact CG-CE1 3.94Å; K18-Y74 HydrophobicContact CG-CE2 4.41Å; I28-Y74 HydrophobicContact CD1-CD1 3.71Å; I28-Y74 HydrophobicContact CD1-CE1 3.74Å; M61-Y74 HydrophobicContact CE-CD1 3.47Å; M61-Y74 VanDerWaalsContact CE-CD1 3.47Å; M61-Y74 HydrophobicContact CE-CE1 4.03Å; M61-Y74 HydrophobicContact CE-CG 4.3Å; L63-Y74 HydrophobicContact CD1-CD1 4.29Å; L63-Y74 HydrophobicContact CD1-CE1 3.67Å; D70-Y74 WeakPolarHBondContact O-CE2 3.47Å; D70-Y74 PolarHBondContact O-OH 3.03Å; A72-Y74 HydrophobicContact CB-CD2 4.29Å; A72-Y74 HydrophobicContact CB-CE2 3.81Å; Y74-G91 CarbonylContact O-C 3.43Å; Y74-G91 VanDerWaalsContact O-CA 3.23Å; Y74-G91 WeakPolarHBondContact O-CA 3.49Å; Y74-T92 PolarHBondContact N-O 3.29Å; Y74-T92 PolarHBondContact O-N 2.61Å; Y74-L94 HydrophobicContact CD2-CB 3.76Å; Y74-L94 HydrophobicContact CD2-CD2 4.28Å; Y74-L94 HydrophobicContact CE2-CB 3.71Å; Y74-L94 HydrophobicContact CE2-CD2 3.71Å; Y74-L94 HydrophobicContact CE2-CG 4.28Å
75	Y	97.8	Very high	87.4	Confident	43 Å²	43	59.7 Å²	59.7	17%	0.169	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	147.3	-178.4	-55.6	-91	0	0	0	110.5	W16 V17 Q19 L25 V73 W88	W16-Y75 WeakPolarHBondContact CA-O 3.33Å; V17-Y75 PolarHBondContact N-O 3.06Å; V17-Y75 PolarHBondContact O-N 3.12Å; Q19-Y75 HydrophobicContact CB-CD2 4.49Å; Q19-Y75 HydrophobicContact CB-CE2 3.75Å; Q19-Y75 PolarHBondContact OE1-OH 2.8Å; L25-Y75 HydrophobicContact CD2-CE2 4.45Å; V73-Y75 HydrophobicContact CB-CE2 3.83Å; V73-Y75 HydrophobicContact CG1-CD1 4.48Å; V73-Y75 HydrophobicContact CG1-CD2 4.29Å; V73-Y75 HydrophobicContact CG1-CE1 3.81Å; V73-Y75 HydrophobicContact CG1-CE2 3.61Å; V73-Y75 WeakPolarHBondContact CG1-OH 3.34Å; Y75-W88 HydrophobicContact CD1-CE3 4.49Å; Y75-W88 HydrophobicContact CG-CE3 4.13Å; Y75-W88 HydrophobicContact CG-CZ3 4.25Å
76	C	96.8	Very high	86.7	Confident	16 Å²	16	57.5 Å²	57.5	11%	0.108	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	148.9	158.8	61.7	0	0	0	0	109.4	C2 M14 H15 W16 G89	C2-C76 HydrophobicContact CB-CB 3.4Å; C2-C76 VanDerWaalsContact CB-CB 3.4Å; C2-C76 WeakPolarHBondContact CB-SG 3.5Å; C2-C76 WeakPolarHBondContact SG-CB 3.46Å; C2-C76 CovalentContact SG-SG 2.03Å; C2-C76 PolarHBondContact SG-SG 2.81Å; M14-C76 HydrophobicContact SD-CB 3.77Å; H15-C76 CarbonylContact O-C 3.43Å; H15-C76 VanDerWaalsContact O-CA 3.24Å; H15-C76 WeakPolarHBondContact O-CA 3.47Å; W16-C76 HydrophobicContact CD2-CB 4.48Å; W16-C76 HydrophobicContact CE3-CB 4.13Å; W16-C76 HydrophobicContact CH2-CB 4.17Å; W16-C76 HydrophobicContact CZ3-CB 3.97Å; C76-G89 PolarHBondContact O-N 3.5Å
77	A	95.6	Very high	86.5	Confident	2 Å²	2	62.2 Å²	62.2	2%	0.017	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	143.9	178	0	0	0	0	0	111.7	H15 S85 Y87 W88	H15-A77 HydrophobicContact CB-CB 4.48Å; H15-A77 PolarHBondContact N-O 3.42Å; H15-A77 PolarHBondContact O-N 3.04Å; A77-S85 VanDerWaalsContact CB-CB 3.44Å; A77-Y87 CarbonylContact C-O 3.57Å; A77-Y87 WeakPolarHBondContact CA-O 3.11Å; A77-Y87 WeakPolarHBondContact CB-O 3.36Å; A77-W88 HydrophobicContact CB-CD2 3.55Å; A77-W88 HydrophobicContact CB-CE3 3.83Å; A77-W88 HydrophobicContact CB-CG 3.93Å; A77-W88 HydrophobicContact CB-CH2 4.43Å; A77-W88 HydrophobicContact CB-CZ2 4.17Å; A77-W88 HydrophobicContact CB-CZ3 4.27Å
78	R	92.7	Very high	86.4	Confident	42 Å²	42	64.6 Å²	64.6	16%	0.158	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127.7	176.4	-172.9	-171.4	82.7	177.7	6.6	110	Y7 Y12 S85 G86 Y87	Y7-R78 VanDerWaalsContact CB-NH1 3.3Å; Y7-R78 HydrophobicContact CE2-CG 4.05Å; Y12-R78 HydrophobicContact CD1-CG 4.11Å; Y12-R78 HydrophobicContact CD2-CG 4.39Å; Y12-R78 HydrophobicContact CG-CG 3.76Å; R78-S85 CarbonylContact O-C 3.47Å; R78-S85 VanDerWaalsContact O-CA 3.3Å; R78-S85 WeakPolarHBondContact O-CA 3.39Å; R78-G86 PolarHBondContact O-N 3.25Å; R78-Y87 PolarHBondContact N-O 3.16Å
79	G	88.4	Confident	86.5	Confident	5 Å²	5	62.4 Å²	62.4	5%	0.052	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	173.1	-178.8	0	0	0	0	0	113.8	W13	W13-G79 WeakPolarHBondContact CB-O 3.46Å; W13-G79 PolarHBondContact N-O 3.16Å; W13-G79 PolarHBondContact O-N 3.36Å
80	G	80.8	Confident	86.7	Confident	21 Å²	21	64.9 Å²	64.9	22%	0.216	33%	0.333	C	S	.	.			trans	-91.6	168.3	165.3	0	0	0	0	0	110.3	Y82	G80-Y82 VanDerWaalsContact C-N 3.31Å; G80-Y82 PolarHBondContact O-N 2.81Å
81	Y	68.9	Low	86.8	Confident	109 Å²	109	66.1 Å²	66.1	43%	0.427	35%	0.347	S	S	.	.	S	Bend	trans	-63.3	-38.2	177	-168.2	-93.1	0	0	0	112.5	W13 M30 N39	W13-Y81 HydrophobicContact CD2-CD2 4.34Å; W13-Y81 AromaticContact CE2-CD2 3.77Å; W13-Y81 HydrophobicContact CH2-CD2 4.05Å; W13-Y81 HydrophobicContact CH2-CE2 4.29Å; W13-Y81 AromaticContact CZ2-CD2 3.61Å; W13-Y81 HydrophobicContact CZ2-CD2 3.61Å; W13-Y81 HydrophobicContact CZ2-CE2 4.25Å; M30-Y81 HydrophobicContact CE-CD2 3.29Å; M30-Y81 HydrophobicContact CE-CE2 3.17Å; M30-Y81 HydrophobicContact CE-CG 4.24Å; M30-Y81 HydrophobicContact SD-CD2 4.25Å; N39-Y81 PolarHBondContact ND2-OH 2.82Å
82	Y	67.1	Low	86.8	Confident	204 Å²	204	68.9 Å²	68.9	80%	0.8	36%	0.363	S	S	*	.	S	Bend	trans	-103.8	-8.8	-178.3	-58.9	-73.7	0	0	0	114.1	G80	G80-Y82 VanDerWaalsContact C-N 3.31Å; G80-Y82 PolarHBondContact O-N 2.81Å
83	Y	62	Low	86.8	Confident	188 Å²	188	73.3 Å²	73.3	74%	0.737	39%	0.389	S	S	*	.	S	Bend	trans	-112.1	140.9	-175.1	-62.4	-76.3	0	0	0	109.8
84	G	62.9	Low	86.8	Confident	73 Å²	73	74.1 Å²	74.1	75%	0.753	39%	0.392	S	S	*	.			trans	-56.1	152.4	176.9	0	0	0	0	0	113	G86	G84-G86 PolarHBondContact O-N 3.3Å; G84-G86 VanDerWaalsContact O-N 3.1Å
85	S	70.3	Confident	86.7	Confident	28 Å²	28	79 Å²	79	20%	0.196	42%	0.423	C	S	.	.			trans	-65.8	109.8	-180	-50.1	0	0	0	0	111.1	A77 R78 W88	A77-S85 VanDerWaalsContact CB-CB 3.44Å; R78-S85 CarbonylContact O-C 3.47Å; R78-S85 VanDerWaalsContact O-CA 3.3Å; R78-S85 WeakPolarHBondContact O-CA 3.39Å; S85-W88 PolarHBondContact O-NE1 3.42Å
86	G	76.8	Confident	86.6	Confident	57 Å²	57	78.2 Å²	78.2	59%	0.588	42%	0.423	S	S	*	.			trans	-79.8	-19.7	-174.6	0	0	0	0	0	114.8	R78 G84	R78-G86 PolarHBondContact O-N 3.25Å; G84-G86 PolarHBondContact O-N 3.3Å; G84-G86 VanDerWaalsContact O-N 3.1Å
87	Y	89.5	Confident	86.3	Confident	155 Å²	155	82.5 Å²	82.5	61%	0.608	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138	133.3	-180	-64.1	-91.6	0	0	0	110.8	A77 R78	A77-Y87 CarbonylContact C-O 3.57Å; A77-Y87 WeakPolarHBondContact CA-O 3.11Å; A77-Y87 WeakPolarHBondContact CB-O 3.36Å; R78-Y87 PolarHBondContact N-O 3.16Å
88	W	94.3	Very high	85.6	Confident	113 Å²	113	90.9 Å²	90.9	43%	0.428	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.6	-175.6	-69.9	72.4	0	0	0	110.9	V17 L25 Y75 A77 S85	V17-W88 HydrophobicContact CB-CH2 4.01Å; V17-W88 HydrophobicContact CB-CZ3 3.78Å; V17-W88 HydrophobicContact CG1-CH2 4.01Å; V17-W88 HydrophobicContact CG1-CZ3 4.02Å; V17-W88 HydrophobicContact CG2-CH2 3.65Å; V17-W88 HydrophobicContact CG2-CZ3 3.82Å; L25-W88 HydrophobicContact CD1-CH2 4.08Å; Y75-W88 HydrophobicContact CD1-CE3 4.49Å; Y75-W88 HydrophobicContact CG-CE3 4.13Å; Y75-W88 HydrophobicContact CG-CZ3 4.25Å; A77-W88 HydrophobicContact CB-CD2 3.55Å; A77-W88 HydrophobicContact CB-CE3 3.83Å; A77-W88 HydrophobicContact CB-CG 3.93Å; A77-W88 HydrophobicContact CB-CH2 4.43Å; A77-W88 HydrophobicContact CB-CZ2 4.17Å; A77-W88 HydrophobicContact CB-CZ3 4.27Å; S85-W88 PolarHBondContact O-NE1 3.42Å
89	G	95.4	Very high	85.2	Confident	28 Å²	28	93.4 Å²	93.4	29%	0.289	53%	0.529	S	S	.	.			trans	-69.9	162.4	163.2	0	0	0	0	0	110.8	C76 G91	C76-G89 PolarHBondContact O-N 3.5Å; G89-G91 PolarHBondContact O-N 2.91Å
90	Q	95.8	Very high	85.1	Confident	186 Å²	186	98 Å²	98	87%	0.869	55%	0.554	S	S	*	*			trans	-63.1	-14.2	179.8	-65.4	-62.3	-36.4	0	0	113.9
91	G	96.7	Very high	85.3	Confident	31 Å²	31	102.3 Å²	102.3	32%	0.32	57%	0.573	S	S	.	*			trans	83.9	160.8	-173.7	0	0	0	0	0	112.3	Y74 G89	Y74-G91 CarbonylContact O-C 3.43Å; Y74-G91 VanDerWaalsContact O-CA 3.23Å; Y74-G91 WeakPolarHBondContact O-CA 3.49Å; G89-G91 PolarHBondContact O-N 2.91Å
92	T	97.8	Very high	86.3	Confident	93 Å²	93	101.9 Å²	101.9	57%	0.571	58%	0.581	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-134.8	136.7	172.5	-170.1	0	0	0	0	109.7	V73 Y74	V73-T92 CarbonylContact C-O 3.48Å; V73-T92 WeakPolarHBondContact CA-O 3.42Å; Y74-T92 PolarHBondContact N-O 3.29Å; Y74-T92 PolarHBondContact O-N 2.61Å
93	T	97.8	Very high	87.5	Confident	99 Å²	99	95.5 Å²	95.5	61%	0.607	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.9	126.8	177.2	-58.6	0	0	0	0	109.1
94	L	96.4	Very high	89.2	Confident	54 Å²	54	89.3 Å²	89.3	28%	0.283	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.6	124.3	169	179	64.5	0	0	0	108	L63 L66 S71 A72 Y74 V96	L63-L94 HydrophobicContact CD1-CD2 3.82Å; L66-L94 HydrophobicContact CD1-CD2 3.85Å; S71-L94 CarbonylContact C-O 3.57Å; S71-L94 VanDerWaalsContact CA-O 3.23Å; S71-L94 WeakPolarHBondContact CA-O 3.43Å; A72-L94 PolarHBondContact N-O 3.21Å; A72-L94 PolarHBondContact O-N 2.64Å; Y74-L94 HydrophobicContact CD2-CB 3.76Å; Y74-L94 HydrophobicContact CD2-CD2 4.28Å; Y74-L94 HydrophobicContact CE2-CB 3.71Å; Y74-L94 HydrophobicContact CE2-CD2 3.71Å; Y74-L94 HydrophobicContact CE2-CG 4.28Å; L94-V96 HydrophobicContact CG-CG2 4.28Å
95	T	96.6	Very high	91	Very high	111 Å²	111	90.5 Å²	90.5	68%	0.681	54%	0.542	S	S	*	.			trans	-115	129.2	175	-55.6	0	0	0	0	108.6
96	V	95.3	Very high	92.6	Very high	28 Å²	28	95.3 Å²	95.3	17%	0.17	57%	0.569	C	S	.	*			trans	-118.4	115.6	178	-174.1	0	0	0	0	107.4	L66 T67 S68 S71 L94	L66-V96 HydrophobicContact CB-CG1 4.22Å; L66-V96 HydrophobicContact CB-CG2 4.07Å; L66-V96 HydrophobicContact CD1-CG2 4.09Å; T67-V96 WeakPolarHBondContact O-CB 3.24Å; T67-V96 WeakPolarHBondContact O-CG1 3.39Å; S68-V96 WeakPolarHBondContact CA-O 3.4Å; S71-V96 PolarHBondContact OG-N 2.74Å; S71-V96 PolarHBondContact OG-O 2.98Å; L94-V96 HydrophobicContact CG-CG2 4.28Å
97	S	91.4	Very high	93.9	Very high	106 Å²	106	98.5 Å²	98.5	74%	0.741	57%	0.568	S	S	*	*			trans	-94.5	149.6	173.4	54.7	0	0	0	0	110.6
98	S	80.4	Confident	94.4	Very high	178 Å²	178	93.4 Å²	93.4	100%	1.245	56%	0.564	S	S	*	*			trans	-71.7	0	169.8	56	0	0	0	0	112.5

Retrieved 98 of 98 residues in 22.3 ms (Link to these results)

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