X5J548_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J548, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 109 aa.

						>X5J548_MOUSE|X5J548
AELAKPGASVKMSCKASGYTFTSYWMHWVKQRPGQGLEWIGYINPSTGYTEYNQKFKDKATLTADKSSSTAYMQLSSLTSEDSAVYYCAEDYGWHFDVWGAGTTVTVSS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	78.3	Confident	92.6	Very high	112 Å²	112	76.8 Å²	76.8	93%	0.926	47%	0.466	S	S	*	.				0	139.6	0	0	0	0	0	0	107.7	T104	A1-T104 CarbonylContact C-O 3.37Å; A1-T104 WeakPolarHBondContact CA-O 3.44Å
2	E	87.8	Confident	92.8	Very high	89 Å²	89	71 Å²	71	42%	0.416	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127	-174.7	-71.7	-72	163.4	0	0	109.1	V10 T103 T104 V105 T106	E2-V10 HydrophobicContact CB-CG2 3.82Å; E2-V10 HydrophobicContact CG-CG2 3.69Å; E2-T103 HydrophobicContact CG-CG2 4.16Å; E2-T104 PolarHBondContact N-O 3.25Å; E2-V105 HydrophobicContact CB-CG2 4.23Å; E2-V105 CarbonylContact O-C 3.55Å; E2-V105 WeakPolarHBondContact O-CA 3.36Å; E2-T106 PolarHBondContact O-N 2.75Å
3	L	91.3	Very high	93.1	Very high	128 Å²	128	71.3 Å²	71.3	67%	0.67	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	120.8	174.3	-176	67.2	0	0	0	108.7	T106	L3-T106 HydrophobicContact CD1-CG2 4.03Å
4	A	92.7	Very high	93.1	Very high	12 Å²	12	66.9 Å²	66.9	10%	0.099	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	151.2	-176.7	0	0	0	0	0	111.5	A8 L78 T106 V107 S108	A4-A8 HydrophobicContact CB-CB 4.47Å; A4-L78 HydrophobicContact CB-CD1 3.5Å; A4-T106 PolarHBondContact N-O 2.88Å; A4-V107 VanDerWaalsContact O-CA 3.3Å; A4-V107 WeakPolarHBondContact O-CA 3.21Å; A4-S108 PolarHBondContact O-N 2.91Å; A4-S108 VanDerWaalsContact O-N 3.09Å
5	K	94.1	Very high	93.1	Very high	146 Å²	146	72.9 Å²	72.9	64%	0.635	43%	0.429	S	S	*	.			trans	-86.1	153.5	169.6	-65.5	-172.9	178.8	-173.7	0	110.3	G7 A8	K5-G7 PolarHBondContact O-N 3.23Å; K5-A8 WeakPolarHBondContact O-CB 3.49Å; K5-A8 PolarHBondContact O-N 3.3Å; K5-A8 VanDerWaalsContact O-N 3.09Å
6	P	95.6	Very high	92.8	Very high	76 Å²	76	69.4 Å²	69.4	49%	0.494	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	137.9	169.7	-25.6	34.1	0	0	0	111.9	A8 L78 V107 S108	P6-A8 PolarHBondContact O-N 3.02Å; P6-L78 CarbonylContact C-O 3.53Å; P6-L78 WeakPolarHBondContact CA-O 3.32Å; P6-V107 HydrophobicContact CG-CG1 4.18Å; P6-S108 WeakPolarHBondContact CD-O 3.4Å
7	G	94.4	Very high	92	Very high	54 Å²	54	68.9 Å²	68.9	56%	0.557	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-12.5	-176.8	0	0	0	0	0	115.1	K5 L78	K5-G7 PolarHBondContact O-N 3.23Å; G7-L78 PolarHBondContact N-O 2.87Å
8	A	95.8	Very high	90.9	Very high	37 Å²	37	70.1 Å²	70.1	31%	0.306	44%	0.44	S	S	.	.			trans	-70.2	171.2	175.6	0	0	0	0	0	111.9	A4 K5 P6 S77 L78	A4-A8 HydrophobicContact CB-CB 4.47Å; K5-A8 WeakPolarHBondContact O-CB 3.49Å; K5-A8 PolarHBondContact O-N 3.3Å; K5-A8 VanDerWaalsContact O-N 3.09Å; P6-A8 PolarHBondContact O-N 3.02Å; A8-S77 PolarHBondContact O-N 2.84Å; A8-L78 WeakPolarHBondContact O-CB 3.43Å; A8-L78 VanDerWaalsContact O-CG 3.32Å; A8-L78 WeakPolarHBondContact O-CG 3.48Å; A8-L78 PolarHBondContact O-N 2.93Å
9	S	96.3	Very high	89.9	Confident	67 Å²	67	73.3 Å²	73.3	47%	0.469	44%	0.444	S	S	.	.			trans	-116.5	147.4	169.6	-55.7	0	0	0	0	110	L75	S9-L75 CarbonylContact C-O 3.5Å; S9-L75 WeakPolarHBondContact CA-O 3.3Å; S9-L75 WeakPolarHBondContact CB-O 3.33Å
10	V	96.1	Very high	89.6	Confident	9 Å²	9	74.2 Å²	74.2	6%	0.055	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138.1	173.3	67.7	0	0	0	0	109.4	E2 M12 Q74 L75 L78 V105	E2-V10 HydrophobicContact CB-CG2 3.82Å; E2-V10 HydrophobicContact CG-CG2 3.69Å; V10-M12 HydrophobicContact CG1-CE 4.17Å; V10-Q74 CarbonylContact O-C 3.48Å; V10-Q74 WeakPolarHBondContact O-CA 3.44Å; V10-L75 HydrophobicContact CG1-CB 4.05Å; V10-L75 HydrophobicContact CG1-CD1 4.35Å; V10-L75 PolarHBondContact N-O 2.9Å; V10-L75 PolarHBondContact O-N 2.9Å; V10-L78 HydrophobicContact CB-CD1 4.04Å; V10-L78 HydrophobicContact CG1-CD1 3.86Å; V10-L78 HydrophobicContact CG1-CD2 4.31Å; V10-V105 HydrophobicContact CG1-CG1 4.31Å; V10-V105 HydrophobicContact CG1-CG2 4.38Å
11	K	96.4	Very high	89.4	Confident	115 Å²	115	71 Å²	71	50%	0.5	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.9	174.5	-174.6	178.4	-179.6	-179.5	0	108.8	Y72 M73 Q74	K11-Y72 HydrophobicContact CG-CD1 4.49Å; K11-M73 WeakPolarHBondContact CA-O 3.33Å; K11-Q74 HydrophobicContact CG-CB 4.47Å
12	M	95.5	Very high	89.9	Confident	7 Å²	7	68 Å²	68	3%	0.034	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	154	176	58.7	-168.7	80.8	0	0	110.6	V10 W28 Y72 M73 L75 Y86 V105	V10-M12 HydrophobicContact CG1-CE 4.17Å; M12-W28 HydrophobicContact CB-CZ3 4.41Å; M12-W28 HydrophobicContact CG-CE3 4.27Å; M12-W28 HydrophobicContact CG-CH2 3.78Å; M12-W28 HydrophobicContact CG-CZ3 3.48Å; M12-W28 VanDerWaalsContact CG-CZ3 3.48Å; M12-W28 HydrophobicContact SD-CE3 4.02Å; M12-W28 HydrophobicContact SD-CH2 4.49Å; M12-W28 HydrophobicContact SD-CZ3 3.61Å; M12-Y72 WeakPolarHBondContact O-CA 3.31Å; M12-Y72 WeakPolarHBondContact O-CB 3.06Å; M12-M73 HydrophobicContact CE-CE 3.52Å; M12-M73 HydrophobicContact CG-CB 3.91Å; M12-M73 HydrophobicContact CG-CE 4.14Å; M12-M73 WeakPolarHBondContact CG-O 3.46Å; M12-M73 PolarHBondContact N-O 3.05Å; M12-M73 PolarHBondContact O-N 3.09Å; M12-M73 HydrophobicContact SD-CB 4.47Å; M12-M73 HydrophobicContact SD-CE 3.22Å; M12-M73 WeakPolarHBondContact SD-CE 3.36Å; M12-L75 HydrophobicContact CE-CD1 3.76Å; M12-L75 HydrophobicContact CE-CG 4.34Å; M12-Y86 HydrophobicContact CE-CD1 4.34Å; M12-Y86 HydrophobicContact CE-CD2 4.11Å; M12-Y86 HydrophobicContact CE-CG 3.89Å; M12-Y86 WeakPolarHBondContact SD-CB 3.47Å; M12-Y86 HydrophobicContact SD-CD1 4.49Å; M12-Y86 HydrophobicContact SD-CG 4Å; M12-V105 HydrophobicContact CE-CG2 4.02Å
13	S	95.6	Very high	89.9	Confident	75 Å²	75	66.8 Å²	66.8	52%	0.524	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	148.1	-177.4	69.7	0	0	0	0	110.9	A71 Y72	S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.25Å; S13-Y72 VanDerWaalsContact CB-CD1 3.45Å; S13-Y72 VanDerWaalsContact CB-CE1 3.41Å
14	C	94.1	Very high	89.7	Confident	10 Å²	10	62 Å²	62	7%	0.068	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	112	174.2	-177.4	0	0	0	0	108.6	M26 W28 T70 A71 C88	C14-M26 HydrophobicContact CB-SD 4.39Å; C14-M26 VanDerWaalsContact SG-SD 3.65Å; C14-W28 HydrophobicContact CB-CH2 3.74Å; C14-W28 HydrophobicContact CB-CZ2 3.92Å; C14-T70 CarbonylContact O-C 3.59Å; C14-T70 WeakPolarHBondContact O-CA 3.34Å; C14-A71 PolarHBondContact N-O 3.09Å; C14-A71 PolarHBondContact O-N 3.42Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.31Å; C14-C88 WeakPolarHBondContact SG-CB 3.45Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.23Å
15	K	92.8	Very high	89.7	Confident	156 Å²	156	65.5 Å²	65.5	68%	0.678	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	126.3	178.9	-172.3	175.9	-175.6	178.3	0	109
16	A	87.8	Confident	89.7	Confident	17 Å²	17	58.6 Å²	58.6	14%	0.14	36%	0.356	C	S	.	.			trans	-68.3	149.5	179	0	0	0	0	0	111.6	F21 S69 E90	A16-F21 HydrophobicContact CB-CB 4.13Å; A16-F21 HydrophobicContact CB-CD2 3.48Å; A16-F21 VanDerWaalsContact CB-CD2 3.48Å; A16-F21 HydrophobicContact CB-CE2 4.25Å; A16-F21 HydrophobicContact CB-CG 4.17Å; A16-S69 PolarHBondContact N-O 2.95Å; A16-E90 VanDerWaalsContact CA-OE1 3.26Å; A16-E90 WeakPolarHBondContact CA-OE1 3.37Å
17	S	80.4	Confident	89.7	Confident	61 Å²	61	55.5 Å²	55.5	43%	0.427	34%	0.335	S	S	.	.			trans	-114.5	125.4	-177	67.1	0	0	0	0	111.8	Y19 E90	S17-Y19 WeakPolarHBondContact O-CD2 3.3Å; S17-Y19 PolarHBondContact O-N 2.79Å; S17-E90 PolarHBondContact N-OE1 3.22Å
18	G	71	Confident	89.8	Confident	90 Å²	90	53.2 Å²	53.2	93%	0.928	31%	0.309	S	S	*	.	S	Bend	trans	70.5	-19.8	165.4	0	0	0	0	0	118.2
19	Y	71.9	Confident	89.8	Confident	132 Å²	132	51.7 Å²	51.7	52%	0.518	30%	0.296	S	S	.	.	S	Bend	trans	-110.4	166.7	-175.4	-57.4	-72.9	0	0	0	113.6	S17 F21 Y24 V98	S17-Y19 WeakPolarHBondContact O-CD2 3.3Å; S17-Y19 PolarHBondContact O-N 2.79Å; Y19-F21 PolarHBondContact O-N 3.25Å; Y19-Y24 VanDerWaalsContact CB-CE2 3.49Å; Y19-Y24 HydrophobicContact CD1-CE2 4.35Å; Y19-Y24 WeakPolarHBondContact CD1-OH 3.37Å; Y19-Y24 HydrophobicContact CD2-CE1 4.39Å; Y19-Y24 HydrophobicContact CG-CE1 4.43Å; Y19-Y24 AromaticContact CG-CE2 3.92Å; Y19-Y24 HydrophobicContact CG-CE2 3.92Å; Y19-Y24 AromaticContact CG-CZ 3.7Å; Y19-V98 HydrophobicContact CE2-CG2 4.34Å
20	T	84.8	Confident	89.9	Confident	90 Å²	90	48.6 Å²	48.6	55%	0.552	27%	0.274	S	S	*	.			trans	-66.8	99	169.5	-54.5	0	0	0	0	109	T22 S23	T20-T22 WeakPolarHBondContact CG2-OG1 3.43Å; T20-T22 PolarHBondContact O-N 3.01Å; T20-S23 WeakPolarHBondContact O-CB 3.48Å; T20-S23 PolarHBondContact O-N 2.99Å
21	F	85.4	Confident	89.9	Confident	8 Å²	8	51.3 Å²	51.3	4%	0.035	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-46.7	-34.5	-177.6	175.4	-125.2	0	0	0	114.5	A16 Y19 S23 M26 P45 A64 D65 S69 A71	A16-F21 HydrophobicContact CB-CB 4.13Å; A16-F21 HydrophobicContact CB-CD2 3.48Å; A16-F21 VanDerWaalsContact CB-CD2 3.48Å; A16-F21 HydrophobicContact CB-CE2 4.25Å; A16-F21 HydrophobicContact CB-CG 4.17Å; Y19-F21 PolarHBondContact O-N 3.25Å; F21-S23 VanDerWaalsContact C-N 3.27Å; F21-S23 PolarHBondContact O-N 2.66Å; F21-M26 HydrophobicContact CE2-CE 4.09Å; F21-P45 HydrophobicContact CD1-CB 3.81Å; F21-P45 HydrophobicContact CD1-CG 4.4Å; F21-P45 HydrophobicContact CD2-CB 4.36Å; F21-P45 HydrophobicContact CD2-CG 4.07Å; F21-P45 HydrophobicContact CE1-CB 3.48Å; F21-P45 VanDerWaalsContact CE1-CB 3.48Å; F21-P45 HydrophobicContact CE1-CG 4.05Å; F21-P45 HydrophobicContact CE2-CB 4.07Å; F21-P45 HydrophobicContact CE2-CG 3.68Å; F21-P45 HydrophobicContact CG-CB 4.27Å; F21-P45 HydrophobicContact CG-CG 4.45Å; F21-P45 HydrophobicContact CZ-CB 3.63Å; F21-P45 HydrophobicContact CZ-CG 3.67Å; F21-P45 WeakPolarHBondContact O-CG 3.38Å; F21-A64 HydrophobicContact CE1-CB 4.11Å; F21-A64 HydrophobicContact CZ-CB 3.96Å; F21-D65 WeakPolarHBondContact CE1-O 2.98Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; F21-A71 HydrophobicContact CE2-CB 4.19Å; F21-A71 HydrophobicContact CZ-CB 4.02Å
22	T	88.5	Confident	89.8	Confident	50 Å²	50	48.4 Å²	48.4	31%	0.307	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-75.9	-10.5	179.6	54.8	0	0	0	0	114.4	T20 S46 K66	T20-T22 WeakPolarHBondContact CG2-OG1 3.43Å; T20-T22 PolarHBondContact O-N 3.01Å; T22-S46 WeakPolarHBondContact O-CB 3.36Å; T22-K66 HydrophobicContact CG2-CD 4.32Å; T22-K66 HydrophobicContact CG2-CG 4.12Å
23	S	87.6	Confident	89.5	Confident	63 Å²	63	53.7 Å²	53.7	44%	0.441	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-89.4	-9.7	179.4	-60.5	0	0	0	0	113.4	T20 F21	T20-S23 WeakPolarHBondContact O-CB 3.48Å; T20-S23 PolarHBondContact O-N 2.99Å; F21-S23 VanDerWaalsContact C-N 3.27Å; F21-S23 PolarHBondContact O-N 2.66Å
24	Y	87.9	Confident	89.2	Confident	27 Å²	27	54.6 Å²	54.6	11%	0.106	33%	0.328	C	S	.	.	S	Bend	trans	-115	150.8	-174.2	-71.2	-111.8	0	0	0	110.1	Y19 P45 E90 D91 Y92	Y19-Y24 VanDerWaalsContact CB-CE2 3.49Å; Y19-Y24 HydrophobicContact CD1-CE2 4.35Å; Y19-Y24 WeakPolarHBondContact CD1-OH 3.37Å; Y19-Y24 HydrophobicContact CD2-CE1 4.39Å; Y19-Y24 HydrophobicContact CG-CE1 4.43Å; Y19-Y24 AromaticContact CG-CE2 3.92Å; Y19-Y24 HydrophobicContact CG-CE2 3.92Å; Y19-Y24 AromaticContact CG-CZ 3.7Å; Y24-P45 WeakPolarHBondContact O-CD 3.42Å; Y24-E90 HydrophobicContact CD1-CB 3.91Å; Y24-D91 CarbonylContact C-O 3.59Å; Y24-D91 VanDerWaalsContact CA-O 3.29Å; Y24-D91 WeakPolarHBondContact CA-O 3.29Å; Y24-Y92 HydrophobicContact CD2-CD2 4.25Å; Y24-Y92 HydrophobicContact CE1-CD2 4.26Å; Y24-Y92 HydrophobicContact CE1-CG 4.05Å; Y24-Y92 AromaticContact CE2-CD2 3.83Å; Y24-Y92 HydrophobicContact CE2-CD2 3.83Å; Y24-Y92 HydrophobicContact CE2-CG 4.38Å; Y24-Y92 AromaticContact CZ-CD2 3.82Å; Y24-Y92 AromaticContact CZ-CG 3.89Å
25	W	91.9	Very high	89.1	Confident	85 Å²	85	58.9 Å²	58.9	32%	0.322	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	138.4	166	-62.9	1.1	0	0	0	108.7	Y42 N44 D91	W25-Y42 HydrophobicContact CB-CD2 4.12Å; W25-Y42 HydrophobicContact CD2-CD2 4.05Å; W25-Y42 AromaticContact CD2-CE2 3.75Å; W25-Y42 HydrophobicContact CD2-CE2 3.75Å; W25-Y42 HydrophobicContact CE3-CD1 4.24Å; W25-Y42 AromaticContact CE3-CD2 3.88Å; W25-Y42 HydrophobicContact CE3-CD2 3.88Å; W25-Y42 AromaticContact CE3-CE1 3.96Å; W25-Y42 HydrophobicContact CE3-CE1 3.96Å; W25-Y42 AromaticContact CE3-CE2 3.52Å; W25-Y42 HydrophobicContact CE3-CE2 3.52Å; W25-Y42 HydrophobicContact CE3-CG 4.26Å; W25-Y42 AromaticContact CE3-CZ 3.58Å; W25-Y42 HydrophobicContact CG-CD2 4.18Å; W25-Y42 HydrophobicContact CG-CE2 4.26Å; W25-Y42 HydrophobicContact CH2-CE2 4.48Å; W25-Y42 AromaticContact CZ3-CE1 3.94Å; W25-Y42 HydrophobicContact CZ3-CE1 3.94Å; W25-Y42 AromaticContact CZ3-CE2 3.92Å; W25-Y42 HydrophobicContact CZ3-CE2 3.92Å; W25-Y42 AromaticContact CZ3-CZ 3.53Å; W25-Y42 WeakPolarHBondContact CZ3-OH 3.31Å; W25-N44 PolarHBondContact NE1-ND2 3.02Å; W25-D91 HydrophobicContact CB-CB 4.49Å; W25-D91 PolarHBondContact N-O 3.42Å; W25-D91 PolarHBondContact O-N 3.47Å
26	M	93.7	Very high	89.1	Confident	2 Å²	2	54 Å²	54	1%	0.01	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	111.3	176.7	-174.1	66	64.2	0	0	109.5	C14 F21 Y42 I43 A71 C88 E90	C14-M26 HydrophobicContact CB-SD 4.39Å; C14-M26 VanDerWaalsContact SG-SD 3.65Å; F21-M26 HydrophobicContact CE2-CE 4.09Å; M26-Y42 CarbonylContact O-C 3.53Å; M26-Y42 WeakPolarHBondContact O-CA 3.37Å; M26-Y42 WeakPolarHBondContact O-CB 3.43Å; M26-I43 HydrophobicContact CB-CG2 3.96Å; M26-I43 PolarHBondContact N-O 2.78Å; M26-I43 PolarHBondContact O-N 2.9Å; M26-A71 HydrophobicContact CB-CB 3.99Å; M26-A71 HydrophobicContact CE-CB 4.44Å; M26-A71 HydrophobicContact CG-CB 3.54Å; M26-C88 HydrophobicContact SD-CB 3.76Å; M26-E90 HydrophobicContact CE-CG 3.66Å; M26-E90 HydrophobicContact SD-CG 4.21Å
27	H	95.3	Very high	89.5	Confident	11 Å²	11	57.7 Å²	57.7	5%	0.051	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	149.7	179.4	-67.3	-117.9	0	0	0	110.8	W39 G41 Y42 C88 A89 D91 F96	H27-W39 AromaticContact CG-NE1 3.95Å; H27-W39 AromaticContact ND1-CD1 3.97Å; H27-W39 AromaticContact ND1-NE1 3.19Å; H27-W39 PolarHBondContact ND1-NE1 3.47Å; H27-W39 VanDerWaalsContact ND1-NE1 3.19Å; H27-G41 WeakPolarHBondContact CA-O 3.38Å; H27-Y42 AromaticContact CE1-CD1 3.65Å; H27-Y42 AromaticContact CE1-CG 3.81Å; H27-Y42 AromaticContact NE2-CG 3.96Å; H27-C88 CarbonylContact O-C 3.51Å; H27-C88 WeakPolarHBondContact O-CA 3.44Å; H27-A89 PolarHBondContact N-O 2.85Å; H27-A89 PolarHBondContact O-N 2.78Å; H27-D91 IonicContact NE2-OD2 3.78Å; H27-F96 HydrophobicContact CB-CE1 3.71Å; H27-F96 HydrophobicContact CB-CZ 4.43Å; H27-F96 AromaticContact CD2-CE1 3.61Å; H27-F96 AromaticContact CE1-CE1 3.85Å; H27-F96 AromaticContact CE1-CZ 3.91Å; H27-F96 AromaticContact CG-CE1 3.36Å; H27-F96 AromaticContact CG-CZ 3.95Å; H27-F96 AromaticContact ND1-CE1 3.5Å; H27-F96 AromaticContact ND1-CZ 3.6Å; H27-F96 AromaticContact NE2-CE1 3.95Å
28	W	97.1	Very high	90.2	Very high	5 Å²	5	56.4 Å²	56.4	2%	0.019	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136.1	175	-68.3	88.4	0	0	0	110.2	M12 C14 I40 G41 L62 A71 M73 Y87 C88	M12-W28 HydrophobicContact CB-CZ3 4.41Å; M12-W28 HydrophobicContact CG-CE3 4.27Å; M12-W28 HydrophobicContact CG-CH2 3.78Å; M12-W28 HydrophobicContact CG-CZ3 3.48Å; M12-W28 VanDerWaalsContact CG-CZ3 3.48Å; M12-W28 HydrophobicContact SD-CE3 4.02Å; M12-W28 HydrophobicContact SD-CH2 4.49Å; M12-W28 HydrophobicContact SD-CZ3 3.61Å; C14-W28 HydrophobicContact CB-CH2 3.74Å; C14-W28 HydrophobicContact CB-CZ2 3.92Å; W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.35Å; W28-I40 PolarHBondContact O-N 3.42Å; W28-G41 PolarHBondContact N-O 3.41Å; W28-L62 HydrophobicContact CB-CD2 4.5Å; W28-L62 VanDerWaalsContact CD1-CD2 3.45Å; W28-L62 HydrophobicContact CG-CD2 3.96Å; W28-A71 HydrophobicContact CZ2-CB 4.37Å; W28-M73 HydrophobicContact CB-SD 3.89Å; W28-M73 HydrophobicContact CD2-CB 3.6Å; W28-M73 HydrophobicContact CD2-CE 4.43Å; W28-M73 HydrophobicContact CD2-CG 4.46Å; W28-M73 HydrophobicContact CD2-SD 4.19Å; W28-M73 HydrophobicContact CE3-CB 3.85Å; W28-M73 HydrophobicContact CE3-CE 3.95Å; W28-M73 HydrophobicContact CE3-SD 4.3Å; W28-M73 HydrophobicContact CG-CB 4.1Å; W28-M73 HydrophobicContact CG-SD 4.04Å; W28-M73 HydrophobicContact CH2-CB 4.13Å; W28-M73 HydrophobicContact CZ2-CB 3.91Å; W28-M73 HydrophobicContact CZ3-CB 4.11Å; W28-Y87 WeakPolarHBondContact CA-O 3.29Å; W28-C88 HydrophobicContact CD2-CB 4.39Å; W28-C88 HydrophobicContact CE3-CB 4.17Å; W28-C88 HydrophobicContact CH2-CB 4.26Å; W28-C88 HydrophobicContact CZ2-CB 4.45Å; W28-C88 HydrophobicContact CZ3-CB 4.1Å
29	V	96.8	Very high	91.4	Very high	6 Å²	6	55.6 Å²	55.6	4%	0.036	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	135.5	-172.2	-176.2	0	0	0	0	109.5	L37 E38 Y86 Y87 W99	V29-L37 HydrophobicContact CG1-CB 3.74Å; V29-L37 HydrophobicContact CG1-CD2 3.94Å; V29-L37 HydrophobicContact CG1-CG 4.27Å; V29-E38 CarbonylContact C-O 3.43Å; V29-E38 WeakPolarHBondContact CA-O 3.24Å; V29-Y86 CarbonylContact O-C 3.56Å; V29-Y86 WeakPolarHBondContact O-CA 3.48Å; V29-Y87 PolarHBondContact N-O 3.37Å; V29-Y87 PolarHBondContact O-N 3.36Å; V29-W99 HydrophobicContact CB-CH2 4.33Å; V29-W99 HydrophobicContact CB-CZ3 4.04Å; V29-W99 HydrophobicContact CG1-CH2 4.35Å; V29-W99 HydrophobicContact CG1-CZ3 4.27Å; V29-W99 HydrophobicContact CG2-CH2 3.87Å; V29-W99 HydrophobicContact CG2-CZ3 3.96Å
30	K	96.8	Very high	92.6	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	138.3	174.8	-178.1	178	-178.7	175.5	0	109.9	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 2.8Å; K30-E38 PolarHBondContact O-N 2.87Å; K30-I40 HydrophobicContact CB-CD1 4.05Å; K30-I40 HydrophobicContact CB-CG1 4.21Å; K30-F56 HydrophobicContact CD-CE1 3.97Å; K30-F56 HydrophobicContact CD-CZ 4.05Å; K30-E81 PolarHBondContact NZ-O 3.07Å; K30-D82 IonicContact NZ-OD1 3.51Å; K30-A84 HydrophobicContact CD-CB 4.23Å; K30-A84 HydrophobicContact CG-CB 3.61Å; K30-Y86 HydrophobicContact CB-CD1 4.08Å; K30-Y86 HydrophobicContact CB-CE1 3.84Å; K30-Y86 HydrophobicContact CD-CE1 3.85Å; K30-Y86 WeakPolarHBondContact CE-OH 2.9Å; K30-Y86 HydrophobicContact CG-CD1 4.25Å; K30-Y86 HydrophobicContact CG-CE1 3.68Å
31	Q	96.6	Very high	93.2	Very high	66 Å²	66	45 Å²	45	31%	0.308	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	114.3	170.9	-169.8	-178.3	38	0	0	110.1	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.82Å; Q31-L37 HydrophobicContact CG-CD2 3.92Å; Q31-A84 WeakPolarHBondContact O-CA 3.3Å; Q31-A84 VanDerWaalsContact O-CB 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.33Å; Q31-V85 PolarHBondContact N-O 2.89Å; Q31-V85 PolarHBondContact O-N 2.96Å; Q31-Y87 HydrophobicContact CB-CD2 4.35Å; Q31-Y87 HydrophobicContact CB-CE2 3.7Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.29Å; Q31-Y87 PolarHBondContact OE1-OH 2.91Å
32	R	94	Very high	93.7	Very high	54 Å²	54	45.6 Å²	45.6	20%	0.204	27%	0.266	C	S	.	.			trans	-84.6	150	169.8	-59.8	-163	-171	87.4	0.6	110.3	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.88Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.03Å; R32-Q35 PolarHBondContact O-N 3.09Å; R32-E38 IonicContact CZ-OE1 3.47Å; R32-E38 IonicContact NH1-OE1 2.66Å; R32-E38 PolarHBondContact NH1-OE1 2.68Å; R32-E38 IonicContact NH2-OE1 3.84Å; R32-E81 PolarHBondContact NE-O 2.91Å; R32-A84 HydrophobicContact CG-CB 4.28Å
33	P	89.3	Confident	94.1	Very high	119 Å²	119	43.4 Å²	43.4	77%	0.773	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	126.4	172.3	-25.2	34.5	0	0	0	111.3	Q35	P33-Q35 PolarHBondContact O-N 2.8Å
34	G	90.5	Very high	94.4	Very high	94 Å²	94	41.8 Å²	41.8	97%	0.969	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.9	6.2	-179.9	0	0	0	0	0	115.7	R32	R32-G34 PolarHBondContact O-N 2.88Å
35	Q	92.1	Very high	94.7	Very high	100 Å²	100	40.7 Å²	40.7	47%	0.467	23%	0.234	S	C	.	.	S	Bend	trans	-115.2	161.2	175.7	-58.6	-172.7	-4.6	0	0	111.5	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.03Å; R32-Q35 PolarHBondContact O-N 3.09Å; P33-Q35 PolarHBondContact O-N 2.8Å
36	G	92.4	Very high	94.7	Very high	54 Å²	54	39.3 Å²	39.3	56%	0.557	24%	0.238	S	C	*	.			trans	-67.7	174.9	173.2	0	0	0	0	0	113.1
37	L	94.6	Very high	94.8	Very high	94 Å²	94	43.8 Å²	43.8	49%	0.492	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	128.3	173.2	-64.5	178.3	0	0	0	110.2	V29 Q31 W99	V29-L37 HydrophobicContact CG1-CB 3.74Å; V29-L37 HydrophobicContact CG1-CD2 3.94Å; V29-L37 HydrophobicContact CG1-CG 4.27Å; Q31-L37 HydrophobicContact CB-CD2 3.82Å; Q31-L37 HydrophobicContact CG-CD2 3.92Å; L37-W99 HydrophobicContact CD1-CH2 3.95Å; L37-W99 HydrophobicContact CD1-CZ3 4.4Å
38	E	96.1	Very high	94.7	Very high	33 Å²	33	45.3 Å²	45.3	15%	0.154	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	113.1	173.5	-68.9	-169.6	-89.2	0	0	109.5	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.43Å; V29-E38 WeakPolarHBondContact CA-O 3.24Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 2.8Å; K30-E38 PolarHBondContact O-N 2.87Å; R32-E38 IonicContact CZ-OE1 3.47Å; R32-E38 IonicContact NH1-OE1 2.66Å; R32-E38 PolarHBondContact NH1-OE1 2.68Å; R32-E38 IonicContact NH2-OE1 3.84Å; E38-I40 PolarHBondContact O-N 2.81Å; E38-K55 IonicContact OE2-NZ 3.25Å; E38-K55 PolarHBondContact OE2-NZ 3.13Å; E38-F56 HydrophobicContact CB-CZ 4.48Å
39	W	96	Very high	94.7	Very high	74 Å²	74	51.3 Å²	51.3	28%	0.28	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	128.3	175	179.5	72.9	0	0	0	110.8	H27 G41 Y42 E51 N53	H27-W39 AromaticContact CG-NE1 3.95Å; H27-W39 AromaticContact ND1-CD1 3.97Å; H27-W39 AromaticContact ND1-NE1 3.19Å; H27-W39 PolarHBondContact ND1-NE1 3.47Å; H27-W39 VanDerWaalsContact ND1-NE1 3.19Å; W39-G41 VanDerWaalsContact CE2-CA 3.49Å; W39-G41 PolarHBondContact NE1-O 2.78Å; W39-G41 VanDerWaalsContact NE1-O 3.12Å; W39-Y42 HydrophobicContact CH2-CD1 4.34Å; W39-Y42 AromaticContact CZ2-CD1 3.63Å; W39-Y42 HydrophobicContact CZ2-CD1 3.63Å; W39-Y42 HydrophobicContact CZ2-CE1 4.44Å; W39-Y42 HydrophobicContact CZ2-CG 4.42Å; W39-E51 HydrophobicContact CH2-CB 4.43Å; W39-E51 HydrophobicContact CH2-CG 4.24Å; W39-N53 HydrophobicContact CE3-CB 3.88Å; W39-N53 HydrophobicContact CZ3-CB 4Å; W39-N53 VanDerWaalsContact O-CB 3.24Å; W39-N53 WeakPolarHBondContact O-CB 2.98Å; W39-N53 PolarHBondContact O-ND2 3.02Å
40	I	97.5	Very high	94.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-48.3	-177.7	-62	175.8	0	0	0	110.5	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.35Å; W28-I40 PolarHBondContact O-N 3.42Å; K30-I40 HydrophobicContact CB-CD1 4.05Å; K30-I40 HydrophobicContact CB-CG1 4.21Å; E38-I40 PolarHBondContact O-N 2.81Å; I40-N53 PolarHBondContact O-N 2.81Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.28Å; I40-F56 HydrophobicContact CG1-CD1 4.18Å; I40-F56 HydrophobicContact CG1-CD2 4.23Å; I40-F56 HydrophobicContact CG1-CE1 4.17Å; I40-F56 HydrophobicContact CG1-CE2 4.2Å; I40-F56 HydrophobicContact CG1-CG 4.21Å; I40-F56 HydrophobicContact CG1-CZ 4.17Å; I40-F56 HydrophobicContact CG2-CB 3.72Å; I40-F56 HydrophobicContact CG2-CD1 4.23Å; I40-F56 HydrophobicContact CG2-CD2 4.35Å; I40-F56 HydrophobicContact CG2-CG 3.86Å; I40-A60 HydrophobicContact CG2-CB 3.77Å; I40-M73 HydrophobicContact CD1-CE 3.74Å; I40-M73 HydrophobicContact CD1-SD 3.63Å; I40-M73 HydrophobicContact CG2-SD 3.91Å; I40-Y86 HydrophobicContact CD1-CD1 3.74Å; I40-Y86 HydrophobicContact CD1-CE1 3.89Å
41	G	96.9	Very high	94.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.6	175.2	-168.8	0	0	0	0	0	111.9	H27 W28 W39 E51	H27-G41 WeakPolarHBondContact CA-O 3.38Å; W28-G41 PolarHBondContact N-O 3.41Å; W39-G41 VanDerWaalsContact CE2-CA 3.49Å; W39-G41 PolarHBondContact NE1-O 2.78Å; W39-G41 VanDerWaalsContact NE1-O 3.12Å; G41-E51 CarbonylContact C-O 3.5Å; G41-E51 WeakPolarHBondContact CA-O 3.24Å
42	Y	96.2	Very high	94.8	Very high	20 Å²	20	56.3 Å²	56.3	8%	0.078	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	159.3	168.4	75.8	-104.2	0	0	0	111.4	W25 M26 H27 W39 Y49 T50 E51	W25-Y42 HydrophobicContact CB-CD2 4.12Å; W25-Y42 HydrophobicContact CD2-CD2 4.05Å; W25-Y42 AromaticContact CD2-CE2 3.75Å; W25-Y42 HydrophobicContact CD2-CE2 3.75Å; W25-Y42 HydrophobicContact CE3-CD1 4.24Å; W25-Y42 AromaticContact CE3-CD2 3.88Å; W25-Y42 HydrophobicContact CE3-CD2 3.88Å; W25-Y42 AromaticContact CE3-CE1 3.96Å; W25-Y42 HydrophobicContact CE3-CE1 3.96Å; W25-Y42 AromaticContact CE3-CE2 3.52Å; W25-Y42 HydrophobicContact CE3-CE2 3.52Å; W25-Y42 HydrophobicContact CE3-CG 4.26Å; W25-Y42 AromaticContact CE3-CZ 3.58Å; W25-Y42 HydrophobicContact CG-CD2 4.18Å; W25-Y42 HydrophobicContact CG-CE2 4.26Å; W25-Y42 HydrophobicContact CH2-CE2 4.48Å; W25-Y42 AromaticContact CZ3-CE1 3.94Å; W25-Y42 HydrophobicContact CZ3-CE1 3.94Å; W25-Y42 AromaticContact CZ3-CE2 3.92Å; W25-Y42 HydrophobicContact CZ3-CE2 3.92Å; W25-Y42 AromaticContact CZ3-CZ 3.53Å; W25-Y42 WeakPolarHBondContact CZ3-OH 3.31Å; M26-Y42 CarbonylContact O-C 3.53Å; M26-Y42 WeakPolarHBondContact O-CA 3.37Å; M26-Y42 WeakPolarHBondContact O-CB 3.43Å; H27-Y42 AromaticContact CE1-CD1 3.65Å; H27-Y42 AromaticContact CE1-CG 3.81Å; H27-Y42 AromaticContact NE2-CG 3.96Å; W39-Y42 HydrophobicContact CH2-CD1 4.34Å; W39-Y42 AromaticContact CZ2-CD1 3.63Å; W39-Y42 HydrophobicContact CZ2-CD1 3.63Å; W39-Y42 HydrophobicContact CZ2-CE1 4.44Å; W39-Y42 HydrophobicContact CZ2-CG 4.42Å; Y42-Y49 HydrophobicContact CE2-CD1 4.09Å; Y42-Y49 HydrophobicContact CE2-CE1 4.3Å; Y42-Y49 WeakPolarHBondContact OH-CE1 3.19Å; Y42-T50 VanDerWaalsContact O-CA 3.3Å; Y42-T50 WeakPolarHBondContact O-CA 3.23Å; Y42-E51 HydrophobicContact CD1-CB 4.09Å; Y42-E51 HydrophobicContact CE1-CB 3.6Å; Y42-E51 HydrophobicContact CE1-CG 4.4Å; Y42-E51 WeakPolarHBondContact CE1-OE2 3.42Å; Y42-E51 PolarHBondContact N-O 2.76Å; Y42-E51 PolarHBondContact O-N 2.57Å; Y42-E51 PolarHBondContact OH-OE2 2.92Å
43	I	96.3	Very high	94.9	Very high	4 Å²	4	56 Å²	56	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.8	168.6	-174.6	165.4	0	0	0	109.9	M26 P45 Y49 T50 L62 A64 A71	M26-I43 HydrophobicContact CB-CG2 3.96Å; M26-I43 PolarHBondContact N-O 2.78Å; M26-I43 PolarHBondContact O-N 2.9Å; I43-P45 VanDerWaalsContact O-CD 3.29Å; I43-P45 WeakPolarHBondContact O-CD 3.32Å; I43-Y49 CarbonylContact C-O 3.58Å; I43-Y49 WeakPolarHBondContact CA-O 3.17Å; I43-T50 HydrophobicContact CB-CG2 3.87Å; I43-T50 HydrophobicContact CD1-CG2 3.83Å; I43-T50 HydrophobicContact CG1-CG2 3.71Å; I43-L62 HydrophobicContact CB-CB 4.12Å; I43-L62 HydrophobicContact CG2-CB 4.46Å; I43-A64 HydrophobicContact CD1-CB 3.88Å; I43-A64 HydrophobicContact CG1-CB 4.47Å; I43-A71 HydrophobicContact CG2-CB 4.48Å
44	N	94.6	Very high	95.2	Very high	29 Å²	29	56.9 Å²	56.9	16%	0.155	33%	0.328	C	S	.	.			trans	-84.3	109.8	164.6	-179.9	-33.5	0	0	0	108.3	W25 S46 T47 G48 Y49	W25-N44 PolarHBondContact NE1-ND2 3.02Å; N44-S46 PolarHBondContact O-N 3.12Å; N44-S46 WeakPolarHBondContact OD1-CA 3.45Å; N44-S46 WeakPolarHBondContact OD1-CB 3.16Å; N44-S46 PolarHBondContact OD1-N 3.01Å; N44-T47 PolarHBondContact O-N 2.88Å; N44-T47 PolarHBondContact OD1-N 3.31Å; N44-G48 VanDerWaalsContact O-CA 3.31Å; N44-G48 WeakPolarHBondContact O-CA 3.5Å; N44-G48 PolarHBondContact O-N 3.28Å; N44-Y49 PolarHBondContact N-O 2.79Å
45	P	93.7	Very high	95.3	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.019	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-21.2	-176.5	-20.7	35.6	0	0	0	113.6	F21 Y24 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.81Å; F21-P45 HydrophobicContact CD1-CG 4.4Å; F21-P45 HydrophobicContact CD2-CB 4.36Å; F21-P45 HydrophobicContact CD2-CG 4.07Å; F21-P45 HydrophobicContact CE1-CB 3.48Å; F21-P45 VanDerWaalsContact CE1-CB 3.48Å; F21-P45 HydrophobicContact CE1-CG 4.05Å; F21-P45 HydrophobicContact CE2-CB 4.07Å; F21-P45 HydrophobicContact CE2-CG 3.68Å; F21-P45 HydrophobicContact CG-CB 4.27Å; F21-P45 HydrophobicContact CG-CG 4.45Å; F21-P45 HydrophobicContact CZ-CB 3.63Å; F21-P45 HydrophobicContact CZ-CG 3.67Å; F21-P45 WeakPolarHBondContact O-CG 3.38Å; Y24-P45 WeakPolarHBondContact O-CD 3.42Å; I43-P45 VanDerWaalsContact O-CD 3.29Å; I43-P45 WeakPolarHBondContact O-CD 3.32Å; P45-A64 HydrophobicContact CB-CB 3.95Å; P45-A64 HydrophobicContact CG-CB 4.48Å; P45-K66 WeakPolarHBondContact O-CE 3.22Å
46	S	92.9	Very high	95.5	Very high	56 Å²	56	55.2 Å²	55.2	39%	0.392	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-47.5	176.5	-172.9	0	0	0	0	112	T22 N44 K66	T22-S46 WeakPolarHBondContact O-CB 3.36Å; N44-S46 PolarHBondContact O-N 3.12Å; N44-S46 WeakPolarHBondContact OD1-CA 3.45Å; N44-S46 WeakPolarHBondContact OD1-CB 3.16Å; N44-S46 PolarHBondContact OD1-N 3.01Å; S46-K66 VanDerWaalsContact O-CE 3.32Å; S46-K66 WeakPolarHBondContact O-CE 2.98Å; S46-K66 PolarHBondContact O-NZ 2.79Å
47	T	94.7	Very high	95.6	Very high	97 Å²	97	58.1 Å²	58.1	60%	0.595	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-18	-173.3	61.9	0	0	0	0	113.7	N44 Y49	N44-T47 PolarHBondContact O-N 2.88Å; N44-T47 PolarHBondContact OD1-N 3.31Å; T47-Y49 PolarHBondContact O-N 2.96Å; T47-Y49 VanDerWaalsContact OG1-CB 3.29Å; T47-Y49 WeakPolarHBondContact OG1-CB 3.36Å; T47-Y49 PolarHBondContact OG1-N 2.86Å
48	G	94.6	Very high	95.6	Very high	43 Å²	43	61.1 Å²	61.1	44%	0.443	31%	0.306	S	S	.	.			trans	73.6	5.8	-168.9	0	0	0	0	0	113.6	N44 T50	N44-G48 VanDerWaalsContact O-CA 3.31Å; N44-G48 WeakPolarHBondContact O-CA 3.5Å; N44-G48 PolarHBondContact O-N 3.28Å; G48-T50 PolarHBondContact O-N 2.87Å
49	Y	95.9	Very high	95.5	Very high	130 Å²	130	61.6 Å²	61.6	51%	0.51	31%	0.308	S	S	.	.			trans	-62	135.1	175.9	179.2	-96.9	0	0	0	110.2	Y42 I43 N44 T47 E51	Y42-Y49 HydrophobicContact CE2-CD1 4.09Å; Y42-Y49 HydrophobicContact CE2-CE1 4.3Å; Y42-Y49 WeakPolarHBondContact OH-CE1 3.19Å; I43-Y49 CarbonylContact C-O 3.58Å; I43-Y49 WeakPolarHBondContact CA-O 3.17Å; N44-Y49 PolarHBondContact N-O 2.79Å; T47-Y49 PolarHBondContact O-N 2.96Å; T47-Y49 VanDerWaalsContact OG1-CB 3.29Å; T47-Y49 WeakPolarHBondContact OG1-CB 3.36Å; T47-Y49 PolarHBondContact OG1-N 2.86Å; Y49-E51 HydrophobicContact CE1-CB 4.24Å
50	T	97.1	Very high	95.6	Very high	44 Å²	44	58.2 Å²	58.2	27%	0.27	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141.2	180	50.6	0	0	0	0	110.6	Y42 I43 G48 Y52 L62	Y42-T50 VanDerWaalsContact O-CA 3.3Å; Y42-T50 WeakPolarHBondContact O-CA 3.23Å; I43-T50 HydrophobicContact CB-CG2 3.87Å; I43-T50 HydrophobicContact CD1-CG2 3.83Å; I43-T50 HydrophobicContact CG1-CG2 3.71Å; G48-T50 PolarHBondContact O-N 2.87Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.26Å; T50-L62 HydrophobicContact CG2-CB 3.93Å
51	E	96.9	Very high	95.6	Very high	85 Å²	85	61.5 Å²	61.5	40%	0.397	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.8	169.4	-165.9	174.1	160.9	0	0	109	W39 G41 Y42 Y49	W39-E51 HydrophobicContact CH2-CB 4.43Å; W39-E51 HydrophobicContact CH2-CG 4.24Å; G41-E51 CarbonylContact C-O 3.5Å; G41-E51 WeakPolarHBondContact CA-O 3.24Å; Y42-E51 HydrophobicContact CD1-CB 4.09Å; Y42-E51 HydrophobicContact CE1-CB 3.6Å; Y42-E51 HydrophobicContact CE1-CG 4.4Å; Y42-E51 WeakPolarHBondContact CE1-OE2 3.42Å; Y42-E51 PolarHBondContact N-O 2.76Å; Y42-E51 PolarHBondContact O-N 2.57Å; Y42-E51 PolarHBondContact OH-OE2 2.92Å; Y49-E51 HydrophobicContact CE1-CB 4.24Å
52	Y	97.8	Very high	95.7	Very high	49 Å²	49	61.9 Å²	61.9	19%	0.192	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.4	-175	-62.7	-92.6	0	0	0	110.2	T50 A60 L62	T50-Y52 WeakPolarHBondContact OG1-CE2 3.26Å; Y52-A60 HydrophobicContact CE1-CB 4.32Å; Y52-A60 WeakPolarHBondContact CE1-O 2.97Å; Y52-L62 HydrophobicContact CE1-CB 4.49Å; Y52-L62 HydrophobicContact CE1-CD1 4.05Å; Y52-L62 HydrophobicContact CE1-CG 3.67Å; Y52-L62 PolarHBondContact OH-N 3.12Å
53	N	96.6	Very high	95.8	Very high	47 Å²	47	63.9 Å²	63.9	25%	0.251	33%	0.332	S	S	.	.			trans	-65.5	134.3	156.7	-179.1	-29	0	0	0	108.9	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.88Å; W39-N53 HydrophobicContact CZ3-CB 4Å; W39-N53 VanDerWaalsContact O-CB 3.24Å; W39-N53 WeakPolarHBondContact O-CB 2.98Å; W39-N53 PolarHBondContact O-ND2 3.02Å; I40-N53 PolarHBondContact O-N 2.81Å; N53-K55 PolarHBondContact O-N 2.89Å; N53-K55 PolarHBondContact OD1-N 2.97Å; N53-K55 VanDerWaalsContact OD1-N 3.12Å; N53-F56 HydrophobicContact CB-CD2 4.07Å; N53-F56 PolarHBondContact O-N 2.87Å; N53-K57 PolarHBondContact O-N 3.09Å
54	Q	95.6	Very high	95.8	Very high	139 Å²	139	65.4 Å²	65.4	65%	0.65	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-31.5	-176.1	-167.9	64	18.8	0	0	113.3	F56	Q54-F56 PolarHBondContact O-N 2.97Å
55	K	93.6	Very high	95.8	Very high	149 Å²	149	66.7 Å²	66.7	65%	0.648	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.8	176.6	-68.7	-177	179.3	179.9	0	114.3	E38 N53	E38-K55 IonicContact OE2-NZ 3.25Å; E38-K55 PolarHBondContact OE2-NZ 3.13Å; N53-K55 PolarHBondContact O-N 2.89Å; N53-K55 PolarHBondContact OD1-N 2.97Å; N53-K55 VanDerWaalsContact OD1-N 3.12Å
56	F	95.6	Very high	95.7	Very high	10 Å²	10	72 Å²	72	4%	0.044	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-5	-172.1	-61.5	-84.3	0	0	0	113.4	K30 E38 I40 N53 Q54 D58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.97Å; K30-F56 HydrophobicContact CD-CZ 4.05Å; E38-F56 HydrophobicContact CB-CZ 4.48Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.28Å; I40-F56 HydrophobicContact CG1-CD1 4.18Å; I40-F56 HydrophobicContact CG1-CD2 4.23Å; I40-F56 HydrophobicContact CG1-CE1 4.17Å; I40-F56 HydrophobicContact CG1-CE2 4.2Å; I40-F56 HydrophobicContact CG1-CG 4.21Å; I40-F56 HydrophobicContact CG1-CZ 4.17Å; I40-F56 HydrophobicContact CG2-CB 3.72Å; I40-F56 HydrophobicContact CG2-CD1 4.23Å; I40-F56 HydrophobicContact CG2-CD2 4.35Å; I40-F56 HydrophobicContact CG2-CG 3.86Å; N53-F56 HydrophobicContact CB-CD2 4.07Å; N53-F56 PolarHBondContact O-N 2.87Å; Q54-F56 PolarHBondContact O-N 2.97Å; F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 3.29Å; F56-K59 PolarHBondContact O-N 3.36Å; F56-A60 HydrophobicContact CB-CB 4.32Å; F56-A60 PolarHBondContact O-N 3.19Å
57	K	93.9	Very high	95.7	Very high	115 Å²	115	74.6 Å²	74.6	50%	0.5	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-37.5	-173.6	-171.6	173.5	-177.7	175.2	0	113.8	N53	N53-K57 PolarHBondContact O-N 3.09Å
58	D	94.4	Very high	95.6	Very high	156 Å²	156	71.9 Å²	71.9	83%	0.834	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	0.5	179.9	-56.8	-39.6	0	0	0	113	F56	F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 3.29Å
59	K	95.6	Very high	95.5	Very high	44 Å²	44	71.9 Å²	71.9	19%	0.191	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-36	-171.6	-165.3	164.3	-163.6	170.7	0	113.6	F56 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.36Å; K59-L75 WeakPolarHBondContact O-CA 3.13Å; K59-S76 PolarHBondContact O-N 3.44Å; K59-D82 VanDerWaalsContact CE-CG 3.46Å; K59-D82 VanDerWaalsContact CE-OD1 3.3Å; K59-D82 WeakPolarHBondContact CE-OD1 3.19Å; K59-D82 WeakPolarHBondContact CE-OD2 3.39Å; K59-D82 IonicContact NZ-OD1 2.78Å; K59-D82 PolarHBondContact NZ-OD1 3.33Å; K59-D82 IonicContact NZ-OD2 2.57Å; K59-D82 PolarHBondContact NZ-OD2 2.84Å
60	A	97.5	Very high	95.5	Very high	3 Å²	3	66.1 Å²	66.1	3%	0.025	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136	-177.9	0	0	0	0	0	110.7	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.77Å; Y52-A60 HydrophobicContact CE1-CB 4.32Å; Y52-A60 WeakPolarHBondContact CE1-O 2.97Å; F56-A60 HydrophobicContact CB-CB 4.32Å; F56-A60 PolarHBondContact O-N 3.19Å; A60-M73 HydrophobicContact CB-CG 4.36Å; A60-M73 HydrophobicContact CB-SD 4.19Å; A60-Q74 CarbonylContact C-O 3.51Å; A60-Q74 WeakPolarHBondContact CA-O 3.35Å; A60-L75 HydrophobicContact CB-CD2 3.89Å
61	T	98.1	Very high	95.5	Very high	69 Å²	69	64 Å²	64	42%	0.423	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.9	169.7	-57.6	0	0	0	0	108.6	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.35Å; T61-M73 WeakPolarHBondContact O-CA 3.44Å; T61-Q74 PolarHBondContact N-O 2.82Å; T61-Q74 PolarHBondContact O-N 2.95Å
62	L	98.2	Very high	95.5	Very high	8 Å²	8	62.7 Å²	62.7	4%	0.042	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.5	177.9	-53.3	-175.2	0	0	0	110.7	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CB-CD2 4.5Å; W28-L62 VanDerWaalsContact CD1-CD2 3.45Å; W28-L62 HydrophobicContact CG-CD2 3.96Å; I43-L62 HydrophobicContact CB-CB 4.12Å; I43-L62 HydrophobicContact CG2-CB 4.46Å; T50-L62 HydrophobicContact CG2-CB 3.93Å; Y52-L62 HydrophobicContact CE1-CB 4.49Å; Y52-L62 HydrophobicContact CE1-CD1 4.05Å; Y52-L62 HydrophobicContact CE1-CG 3.67Å; Y52-L62 PolarHBondContact OH-N 3.12Å; L62-Y72 WeakPolarHBondContact CA-O 3.44Å; L62-M73 HydrophobicContact CD2-CB 3.67Å; L62-M73 HydrophobicContact CD2-CG 3.59Å; L62-M73 HydrophobicContact CD2-SD 4.03Å
63	T	97.6	Very high	95.5	Very high	61 Å²	61	60.3 Å²	60.3	37%	0.374	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	160.3	176.7	56.4	0	0	0	0	110.6	T61 A71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.35Å; T63-A71 CarbonylContact O-C 3.57Å; T63-A71 WeakPolarHBondContact O-CA 3.16Å; T63-Y72 PolarHBondContact N-O 2.95Å; T63-Y72 PolarHBondContact O-N 2.83Å
64	A	96.4	Very high	95.6	Very high	36 Å²	36	61.7 Å²	61.7	30%	0.298	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	137.2	177.9	0	0	0	0	0	110.6	F21 I43 P45	F21-A64 HydrophobicContact CE1-CB 4.11Å; F21-A64 HydrophobicContact CZ-CB 3.96Å; I43-A64 HydrophobicContact CD1-CB 3.88Å; I43-A64 HydrophobicContact CG1-CB 4.47Å; P45-A64 HydrophobicContact CB-CB 3.95Å; P45-A64 HydrophobicContact CG-CB 4.48Å
65	D	95.1	Very high	95.6	Very high	56 Å²	56	55 Å²	55	30%	0.299	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	109.5	171.4	175.5	9.7	0	0	0	109.2	F21 S67 S68 S69 T70 Y72	F21-D65 WeakPolarHBondContact CE1-O 2.98Å; D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.88Å; D65-S67 WeakPolarHBondContact OD1-CB 3.37Å; D65-S67 PolarHBondContact OD1-N 2.98Å; D65-S67 PolarHBondContact OD1-OG 3.33Å; D65-S67 PolarHBondContact OD2-OG 2.84Å; D65-S68 WeakPolarHBondContact CB-OG 3.47Å; D65-S68 WeakPolarHBondContact OD2-CB 3.37Å; D65-S68 PolarHBondContact OD2-OG 2.93Å; D65-S69 WeakPolarHBondContact O-CA 3.19Å; D65-S69 PolarHBondContact O-N 3.2Å; D65-T70 PolarHBondContact N-O 3.02Å; D65-T70 PolarHBondContact O-N 2.78Å; D65-Y72 HydrophobicContact CB-CE2 4Å
66	K	92.4	Very high	95.8	Very high	116 Å²	116	49.5 Å²	49.5	50%	0.504	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-34.6	-179.9	-63.7	175.4	178.3	176.6	0	112	T22 P45 S46 S69	T22-K66 HydrophobicContact CG2-CD 4.32Å; T22-K66 HydrophobicContact CG2-CG 4.12Å; P45-K66 WeakPolarHBondContact O-CE 3.22Å; S46-K66 VanDerWaalsContact O-CE 3.32Å; S46-K66 WeakPolarHBondContact O-CE 2.98Å; S46-K66 PolarHBondContact O-NZ 2.79Å; K66-S69 PolarHBondContact O-N 2.02Å
67	S	91.6	Very high	95.8	Very high	109 Å²	109	53 Å²	53	76%	0.762	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-40.3	-174.4	71.4	0	0	0	0	111.7	D65	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.88Å; D65-S67 WeakPolarHBondContact OD1-CB 3.37Å; D65-S67 PolarHBondContact OD1-N 2.98Å; D65-S67 PolarHBondContact OD1-OG 3.33Å; D65-S67 PolarHBondContact OD2-OG 2.84Å
68	S	93.3	Very high	95.9	Very high	40 Å²	40	47.7 Å²	47.7	28%	0.28	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-0.1	176.5	62.7	0	0	0	0	113.6	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.47Å; D65-S68 WeakPolarHBondContact OD2-CB 3.37Å; D65-S68 PolarHBondContact OD2-OG 2.93Å; S68-T70 PolarHBondContact O-N 2.85Å; S68-T70 PolarHBondContact O-OG1 3.25Å; S68-T70 WeakPolarHBondContact OG-CB 3.29Å; S68-T70 PolarHBondContact OG-OG1 2.85Å
69	S	93.4	Very high	95.9	Very high	43 Å²	43	42.9 Å²	42.9	30%	0.301	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	42.4	-174	-63.3	0	0	0	0	112.6	A16 F21 D65 K66	A16-S69 PolarHBondContact N-O 2.95Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; D65-S69 WeakPolarHBondContact O-CA 3.19Å; D65-S69 PolarHBondContact O-N 3.2Å; K66-S69 PolarHBondContact O-N 2.02Å
70	T	95.4	Very high	95.8	Very high	10 Å²	10	45 Å²	45	6%	0.061	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.7	-172.2	-56.8	0	0	0	0	110.6	C14 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.59Å; C14-T70 WeakPolarHBondContact O-CA 3.34Å; D65-T70 PolarHBondContact N-O 3.02Å; D65-T70 PolarHBondContact O-N 2.78Å; S68-T70 PolarHBondContact O-N 2.85Å; S68-T70 PolarHBondContact O-OG1 3.25Å; S68-T70 WeakPolarHBondContact OG-CB 3.29Å; S68-T70 PolarHBondContact OG-OG1 2.85Å; T70-Y72 HydrophobicContact CG2-CD1 4.37Å; T70-Y72 HydrophobicContact CG2-CD2 4.41Å; T70-Y72 HydrophobicContact CG2-CE1 3.75Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.4Å; T70-Y72 WeakPolarHBondContact O-CE2 3.44Å
71	A	96.1	Very high	95.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	152.3	169	0	0	0	0	0	110.4	S13 C14 F21 M26 W28 I43 T63	S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.25Å; C14-A71 PolarHBondContact N-O 3.09Å; C14-A71 PolarHBondContact O-N 3.42Å; F21-A71 HydrophobicContact CE2-CB 4.19Å; F21-A71 HydrophobicContact CZ-CB 4.02Å; M26-A71 HydrophobicContact CB-CB 3.99Å; M26-A71 HydrophobicContact CE-CB 4.44Å; M26-A71 HydrophobicContact CG-CB 3.54Å; W28-A71 HydrophobicContact CZ2-CB 4.37Å; I43-A71 HydrophobicContact CG2-CB 4.48Å; T63-A71 CarbonylContact O-C 3.57Å; T63-A71 WeakPolarHBondContact O-CA 3.16Å
72	Y	97.4	Very high	95.4	Very high	56 Å²	56	48 Å²	48	22%	0.22	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143.2	178.3	-53.9	-92.9	0	0	0	110.6	K11 M12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CG-CD1 4.49Å; M12-Y72 WeakPolarHBondContact O-CA 3.31Å; M12-Y72 WeakPolarHBondContact O-CB 3.06Å; S13-Y72 VanDerWaalsContact CB-CD1 3.45Å; S13-Y72 VanDerWaalsContact CB-CE1 3.41Å; L62-Y72 WeakPolarHBondContact CA-O 3.44Å; T63-Y72 PolarHBondContact N-O 2.95Å; T63-Y72 PolarHBondContact O-N 2.83Å; D65-Y72 HydrophobicContact CB-CE2 4Å; T70-Y72 HydrophobicContact CG2-CD1 4.37Å; T70-Y72 HydrophobicContact CG2-CD2 4.41Å; T70-Y72 HydrophobicContact CG2-CE1 3.75Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.4Å; T70-Y72 WeakPolarHBondContact O-CE2 3.44Å
73	M	97.8	Very high	95.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.3	164.5	177.9	173.9	72.6	0	0	108.6	K11 M12 W28 I40 A60 T61 L62 L75 Y86	K11-M73 WeakPolarHBondContact CA-O 3.33Å; M12-M73 HydrophobicContact CE-CE 3.52Å; M12-M73 HydrophobicContact CG-CB 3.91Å; M12-M73 HydrophobicContact CG-CE 4.14Å; M12-M73 WeakPolarHBondContact CG-O 3.46Å; M12-M73 PolarHBondContact N-O 3.05Å; M12-M73 PolarHBondContact O-N 3.09Å; M12-M73 HydrophobicContact SD-CB 4.47Å; M12-M73 HydrophobicContact SD-CE 3.22Å; M12-M73 WeakPolarHBondContact SD-CE 3.36Å; W28-M73 HydrophobicContact CB-SD 3.89Å; W28-M73 HydrophobicContact CD2-CB 3.6Å; W28-M73 HydrophobicContact CD2-CE 4.43Å; W28-M73 HydrophobicContact CD2-CG 4.46Å; W28-M73 HydrophobicContact CD2-SD 4.19Å; W28-M73 HydrophobicContact CE3-CB 3.85Å; W28-M73 HydrophobicContact CE3-CE 3.95Å; W28-M73 HydrophobicContact CE3-SD 4.3Å; W28-M73 HydrophobicContact CG-CB 4.1Å; W28-M73 HydrophobicContact CG-SD 4.04Å; W28-M73 HydrophobicContact CH2-CB 4.13Å; W28-M73 HydrophobicContact CZ2-CB 3.91Å; W28-M73 HydrophobicContact CZ3-CB 4.11Å; I40-M73 HydrophobicContact CD1-CE 3.74Å; I40-M73 HydrophobicContact CD1-SD 3.63Å; I40-M73 HydrophobicContact CG2-SD 3.91Å; A60-M73 HydrophobicContact CB-CG 4.36Å; A60-M73 HydrophobicContact CB-SD 4.19Å; T61-M73 WeakPolarHBondContact O-CA 3.44Å; L62-M73 HydrophobicContact CD2-CB 3.67Å; L62-M73 HydrophobicContact CD2-CG 3.59Å; L62-M73 HydrophobicContact CD2-SD 4.03Å; M73-L75 HydrophobicContact CE-CD1 3.95Å; M73-L75 HydrophobicContact CE-CD2 4.15Å; M73-L75 HydrophobicContact CE-CG 3.96Å; M73-L75 HydrophobicContact CG-CD2 4.48Å; M73-L75 HydrophobicContact CG-CG 4.45Å; M73-L75 HydrophobicContact SD-CD2 4.1Å; M73-L75 HydrophobicContact SD-CG 4.4Å; M73-Y86 HydrophobicContact CE-CD1 3.57Å; M73-Y86 HydrophobicContact CE-CE1 4.17Å; M73-Y86 HydrophobicContact CE-CG 4.19Å
74	Q	97.9	Very high	95.3	Very high	75 Å²	75	46.7 Å²	46.7	35%	0.35	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.2	167.8	-179.4	174.3	-17.8	0	0	109.1	V10 K11 A60 T61	V10-Q74 CarbonylContact O-C 3.48Å; V10-Q74 WeakPolarHBondContact O-CA 3.44Å; K11-Q74 HydrophobicContact CG-CB 4.47Å; A60-Q74 CarbonylContact C-O 3.51Å; A60-Q74 WeakPolarHBondContact CA-O 3.35Å; T61-Q74 PolarHBondContact N-O 2.82Å; T61-Q74 PolarHBondContact O-N 2.95Å
75	L	97.1	Very high	95.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.6	169.4	-65.5	170.1	0	0	0	108.6	S9 V10 M12 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.5Å; S9-L75 WeakPolarHBondContact CA-O 3.3Å; S9-L75 WeakPolarHBondContact CB-O 3.33Å; V10-L75 HydrophobicContact CG1-CB 4.05Å; V10-L75 HydrophobicContact CG1-CD1 4.35Å; V10-L75 PolarHBondContact N-O 2.9Å; V10-L75 PolarHBondContact O-N 2.9Å; M12-L75 HydrophobicContact CE-CD1 3.76Å; M12-L75 HydrophobicContact CE-CG 4.34Å; K59-L75 WeakPolarHBondContact O-CA 3.13Å; A60-L75 HydrophobicContact CB-CD2 3.89Å; M73-L75 HydrophobicContact CE-CD1 3.95Å; M73-L75 HydrophobicContact CE-CD2 4.15Å; M73-L75 HydrophobicContact CE-CG 3.96Å; M73-L75 HydrophobicContact CG-CD2 4.48Å; M73-L75 HydrophobicContact CG-CG 4.45Å; M73-L75 HydrophobicContact SD-CD2 4.1Å; M73-L75 HydrophobicContact SD-CG 4.4Å; L75-L78 HydrophobicContact CB-CD2 3.83Å; L75-L78 HydrophobicContact CD1-CD2 4.37Å; L75-Y86 HydrophobicContact CD1-CD1 4.13Å; L75-Y86 HydrophobicContact CD1-CE1 3.51Å; L75-Y86 HydrophobicContact CD1-CE2 4.11Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.5Å
76	S	96.5	Very high	95.4	Very high	32 Å²	32	44 Å²	44	22%	0.224	26%	0.258	C	S	.	.			trans	-107.6	158.8	179.6	-62.7	0	0	0	0	111.6	K59 L78	K59-S76 PolarHBondContact O-N 3.44Å; S76-L78 PolarHBondContact O-N 2.86Å
77	S	95.6	Very high	95.6	Very high	85 Å²	85	40.8 Å²	40.8	59%	0.594	24%	0.243	S	C	*	.	S	Bend	trans	51.3	52.2	173.9	-58	0	0	0	0	112.8	A8	A8-S77 PolarHBondContact O-N 2.84Å
78	L	95.8	Very high	95.7	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	21%	0.21	C	C	.	.			trans	-59.5	139.2	-174	-71.8	172	0	0	0	112.4	A4 P6 G7 A8 V10 L75 S76 D82 V107	A4-L78 HydrophobicContact CB-CD1 3.5Å; P6-L78 CarbonylContact C-O 3.53Å; P6-L78 WeakPolarHBondContact CA-O 3.32Å; G7-L78 PolarHBondContact N-O 2.87Å; A8-L78 WeakPolarHBondContact O-CB 3.43Å; A8-L78 VanDerWaalsContact O-CG 3.32Å; A8-L78 WeakPolarHBondContact O-CG 3.48Å; A8-L78 PolarHBondContact O-N 2.93Å; V10-L78 HydrophobicContact CB-CD1 4.04Å; V10-L78 HydrophobicContact CG1-CD1 3.86Å; V10-L78 HydrophobicContact CG1-CD2 4.31Å; L75-L78 HydrophobicContact CB-CD2 3.83Å; L75-L78 HydrophobicContact CD1-CD2 4.37Å; S76-L78 PolarHBondContact O-N 2.86Å; L78-D82 WeakPolarHBondContact CA-OD2 3.33Å; L78-D82 HydrophobicContact CD2-CB 3.73Å; L78-V107 HydrophobicContact CB-CG1 4.2Å; L78-V107 HydrophobicContact CB-CG2 3.97Å; L78-V107 HydrophobicContact CD1-CG2 4.27Å; L78-V107 HydrophobicContact CD2-CG2 4.42Å; L78-V107 HydrophobicContact CG-CG2 4.46Å
79	T	95.1	Very high	95.7	Very high	56 Å²	56	34.3 Å²	34.3	34%	0.344	20%	0.197	S	C	.	.			trans	-121.2	167.3	173.3	66.5	0	0	0	0	109.8	E81 D82 V107	T79-E81 PolarHBondContact O-N 2.93Å; T79-E81 VanDerWaalsContact O-N 3.13Å; T79-D82 PolarHBondContact N-OD2 3.21Å; T79-D82 WeakPolarHBondContact O-CB 3.49Å; T79-D82 PolarHBondContact O-N 3.06Å; T79-D82 PolarHBondContact OG1-OD2 2.98Å; T79-V107 WeakPolarHBondContact O-CB 3.44Å; T79-V107 WeakPolarHBondContact O-CG2 2.83Å
80	S	93.2	Very high	95.5	Very high	87 Å²	87	32.7 Å²	32.7	61%	0.608	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-54.6	-32.1	176.4	51.2	0	0	0	0	112.7	D82 S83	S80-D82 PolarHBondContact O-N 2.84Å; S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.07Å; S80-S83 PolarHBondContact O-N 2.83Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 3.44Å
81	E	92.3	Very high	95	Very high	132 Å²	132	32.9 Å²	32.9	62%	0.617	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-67	-13.6	177.3	-59.8	-175.8	175.5	0	0	114.4	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 3.07Å; R32-E81 PolarHBondContact NE-O 2.91Å; T79-E81 PolarHBondContact O-N 2.93Å; T79-E81 VanDerWaalsContact O-N 3.13Å; E81-S83 VanDerWaalsContact C-N 3.3Å
82	D	95	Very high	94	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-84.4	-5.7	173.9	-58.4	-44.7	0	0	0	113.3	K30 K59 L78 T79 S80 A84 Y86 V107	K30-D82 IonicContact NZ-OD1 3.51Å; K59-D82 VanDerWaalsContact CE-CG 3.46Å; K59-D82 VanDerWaalsContact CE-OD1 3.3Å; K59-D82 WeakPolarHBondContact CE-OD1 3.19Å; K59-D82 WeakPolarHBondContact CE-OD2 3.39Å; K59-D82 IonicContact NZ-OD1 2.78Å; K59-D82 PolarHBondContact NZ-OD1 3.33Å; K59-D82 IonicContact NZ-OD2 2.57Å; K59-D82 PolarHBondContact NZ-OD2 2.84Å; L78-D82 WeakPolarHBondContact CA-OD2 3.33Å; L78-D82 HydrophobicContact CD2-CB 3.73Å; T79-D82 PolarHBondContact N-OD2 3.21Å; T79-D82 WeakPolarHBondContact O-CB 3.49Å; T79-D82 PolarHBondContact O-N 3.06Å; T79-D82 PolarHBondContact OG1-OD2 2.98Å; S80-D82 PolarHBondContact O-N 2.84Å; D82-A84 PolarHBondContact O-N 2.81Å; D82-A84 VanDerWaalsContact O-N 3.09Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.41Å; D82-Y86 PolarHBondContact O-OH 2.78Å; D82-V107 HydrophobicContact CB-CG2 4.23Å
83	S	96.3	Very high	92.5	Very high	37 Å²	37	39.4 Å²	39.4	26%	0.259	23%	0.228	S	C	.	.			trans	-65	111.2	173	-56.1	0	0	0	0	109.8	S80 E81 V105 V107	S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.07Å; S80-S83 PolarHBondContact O-N 2.83Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 3.44Å; E81-S83 VanDerWaalsContact C-N 3.3Å; S83-V105 CarbonylContact C-O 3.59Å; S83-V105 VanDerWaalsContact CA-O 3.25Å; S83-V105 WeakPolarHBondContact CA-O 3.32Å; S83-V107 PolarHBondContact OG-N 2.65Å
84	A	96.9	Very high	90.8	Very high	5 Å²	5	49.7 Å²	49.7	4%	0.041	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	171.2	-170.6	0	0	0	0	0	110.5	K30 Q31 R32 D82 Y86 V105	K30-A84 HydrophobicContact CD-CB 4.23Å; K30-A84 HydrophobicContact CG-CB 3.61Å; Q31-A84 WeakPolarHBondContact O-CA 3.3Å; Q31-A84 VanDerWaalsContact O-CB 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.33Å; R32-A84 HydrophobicContact CG-CB 4.28Å; D82-A84 PolarHBondContact O-N 2.81Å; D82-A84 VanDerWaalsContact O-N 3.09Å; A84-Y86 HydrophobicContact CB-CD2 4.39Å; A84-Y86 HydrophobicContact CB-CE2 3.79Å; A84-V105 PolarHBondContact N-O 3.38Å; A84-V105 PolarHBondContact O-N 3.28Å
85	V	97.2	Very high	89.2	Confident	33 Å²	33	52.2 Å²	52.2	20%	0.2	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	130.9	162.2	-170.4	0	0	0	0	108.4	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.89Å; Q31-V85 PolarHBondContact O-N 2.96Å; V85-Y87 HydrophobicContact CB-CE2 3.86Å; V85-Y87 HydrophobicContact CG1-CD1 4.43Å; V85-Y87 HydrophobicContact CG1-CD2 4.32Å; V85-Y87 HydrophobicContact CG1-CE1 3.76Å; V85-Y87 HydrophobicContact CG1-CE2 3.65Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.47Å
86	Y	97.3	Very high	87.8	Confident	3 Å²	3	56.5 Å²	56.5	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.7	177.8	-67	-91.5	0	0	0	109.7	M12 V29 K30 I40 M73 L75 D82 A84 G102 T103 V105	M12-Y86 HydrophobicContact CE-CD1 4.34Å; M12-Y86 HydrophobicContact CE-CD2 4.11Å; M12-Y86 HydrophobicContact CE-CG 3.89Å; M12-Y86 WeakPolarHBondContact SD-CB 3.47Å; M12-Y86 HydrophobicContact SD-CD1 4.49Å; M12-Y86 HydrophobicContact SD-CG 4Å; V29-Y86 CarbonylContact O-C 3.56Å; V29-Y86 WeakPolarHBondContact O-CA 3.48Å; K30-Y86 HydrophobicContact CB-CD1 4.08Å; K30-Y86 HydrophobicContact CB-CE1 3.84Å; K30-Y86 HydrophobicContact CD-CE1 3.85Å; K30-Y86 WeakPolarHBondContact CE-OH 2.9Å; K30-Y86 HydrophobicContact CG-CD1 4.25Å; K30-Y86 HydrophobicContact CG-CE1 3.68Å; I40-Y86 HydrophobicContact CD1-CD1 3.74Å; I40-Y86 HydrophobicContact CD1-CE1 3.89Å; M73-Y86 HydrophobicContact CE-CD1 3.57Å; M73-Y86 HydrophobicContact CE-CE1 4.17Å; M73-Y86 HydrophobicContact CE-CG 4.19Å; L75-Y86 HydrophobicContact CD1-CD1 4.13Å; L75-Y86 HydrophobicContact CD1-CE1 3.51Å; L75-Y86 HydrophobicContact CD1-CE2 4.11Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.5Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.41Å; D82-Y86 PolarHBondContact O-OH 2.78Å; A84-Y86 HydrophobicContact CB-CD2 4.39Å; A84-Y86 HydrophobicContact CB-CE2 3.79Å; Y86-G102 CarbonylContact O-C 3.6Å; Y86-G102 VanDerWaalsContact O-CA 3.24Å; Y86-G102 WeakPolarHBondContact O-CA 3.49Å; Y86-T103 PolarHBondContact N-O 3.46Å; Y86-T103 PolarHBondContact O-N 3.3Å; Y86-V105 HydrophobicContact CD2-CB 4.01Å; Y86-V105 HydrophobicContact CD2-CG2 3.58Å; Y86-V105 HydrophobicContact CE2-CB 3.79Å; Y86-V105 HydrophobicContact CE2-CG2 3.79Å
87	Y	96.2	Very high	86.4	Confident	48 Å²	48	59.9 Å²	59.9	19%	0.188	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	150.5	179.6	-56.3	-86.6	0	0	0	110	W28 V29 Q31 V85 W99	W28-Y87 WeakPolarHBondContact CA-O 3.29Å; V29-Y87 PolarHBondContact N-O 3.37Å; V29-Y87 PolarHBondContact O-N 3.36Å; Q31-Y87 HydrophobicContact CB-CD2 4.35Å; Q31-Y87 HydrophobicContact CB-CE2 3.7Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.29Å; Q31-Y87 PolarHBondContact OE1-OH 2.91Å; V85-Y87 HydrophobicContact CB-CE2 3.86Å; V85-Y87 HydrophobicContact CG1-CD1 4.43Å; V85-Y87 HydrophobicContact CG1-CD2 4.32Å; V85-Y87 HydrophobicContact CG1-CE1 3.76Å; V85-Y87 HydrophobicContact CG1-CE2 3.65Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.47Å; Y87-W99 HydrophobicContact CG-CE3 4.3Å; Y87-W99 HydrophobicContact CG-CZ3 4.43Å
88	C	94.6	Very high	85.8	Confident	12 Å²	12	57.6 Å²	57.6	8%	0.081	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	151.2	160.4	59.3	0	0	0	0	109.5	C14 M26 H27 W28 G100	C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.31Å; C14-C88 WeakPolarHBondContact SG-CB 3.45Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.23Å; M26-C88 HydrophobicContact SD-CB 3.76Å; H27-C88 CarbonylContact O-C 3.51Å; H27-C88 WeakPolarHBondContact O-CA 3.44Å; W28-C88 HydrophobicContact CD2-CB 4.39Å; W28-C88 HydrophobicContact CE3-CB 4.17Å; W28-C88 HydrophobicContact CH2-CB 4.26Å; W28-C88 HydrophobicContact CZ2-CB 4.45Å; W28-C88 HydrophobicContact CZ3-CB 4.1Å; C88-G100 PolarHBondContact O-N 3.03Å
89	A	92.8	Very high	85.5	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.5	173.5	0	0	0	0	0	110.7	H27 F96 V98 W99	H27-A89 PolarHBondContact N-O 2.85Å; H27-A89 PolarHBondContact O-N 2.78Å; A89-F96 HydrophobicContact CB-CD1 3.73Å; A89-F96 HydrophobicContact CB-CE1 4.38Å; A89-F96 HydrophobicContact CB-CG 4.46Å; A89-V98 CarbonylContact C-O 3.6Å; A89-V98 WeakPolarHBondContact CA-O 3.38Å; A89-W99 HydrophobicContact CB-CD2 3.79Å; A89-W99 HydrophobicContact CB-CE3 4.07Å; A89-W99 HydrophobicContact CB-CG 4.19Å; A89-W99 HydrophobicContact CB-CH2 4.42Å; A89-W99 HydrophobicContact CB-CZ2 4.15Å; A89-W99 HydrophobicContact CB-CZ3 4.38Å
90	E	89.8	Confident	85.2	Confident	8 Å²	8	61.2 Å²	61.2	4%	0.037	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.3	175.5	-56.6	-179.9	-156.2	0	0	109.2	A16 S17 Y24 M26 D97 V98	A16-E90 VanDerWaalsContact CA-OE1 3.26Å; A16-E90 WeakPolarHBondContact CA-OE1 3.37Å; S17-E90 PolarHBondContact N-OE1 3.22Å; Y24-E90 HydrophobicContact CD1-CB 3.91Å; M26-E90 HydrophobicContact CE-CG 3.66Å; M26-E90 HydrophobicContact SD-CG 4.21Å; E90-D97 PolarHBondContact O-N 2.96Å; E90-V98 HydrophobicContact CB-CB 4.19Å; E90-V98 HydrophobicContact CG-CB 4.39Å; E90-V98 PolarHBondContact N-O 2.98Å
91	D	83.6	Confident	85.1	Confident	15 Å²	15	62.3 Å²	62.3	8%	0.08	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.1	175.3	179.4	3.9	0	0	0	111.1	Y24 W25 H27 G93 W94 H95 F96	Y24-D91 CarbonylContact C-O 3.59Å; Y24-D91 VanDerWaalsContact CA-O 3.29Å; Y24-D91 WeakPolarHBondContact CA-O 3.29Å; W25-D91 HydrophobicContact CB-CB 4.49Å; W25-D91 PolarHBondContact N-O 3.42Å; W25-D91 PolarHBondContact O-N 3.47Å; H27-D91 IonicContact NE2-OD2 3.78Å; D91-G93 PolarHBondContact OD1-N 3.28Å; D91-W94 WeakPolarHBondContact OD1-CA 3.41Å; D91-W94 PolarHBondContact OD1-N 3.21Å; D91-H95 WeakPolarHBondContact CA-O 3.33Å; D91-H95 PolarHBondContact OD1-N 2.93Å; D91-F96 HydrophobicContact CB-CD1 4.24Å; D91-F96 HydrophobicContact CB-CE1 4.23Å
92	Y	75.2	Confident	85.2	Confident	138 Å²	138	57.3 Å²	57.3	54%	0.541	31%	0.309	S	S	.	.	S	Bend	trans	-120.1	98.3	168.3	-174	-99.3	0	0	0	111.3	Y24	Y24-Y92 HydrophobicContact CD2-CD2 4.25Å; Y24-Y92 HydrophobicContact CE1-CD2 4.26Å; Y24-Y92 HydrophobicContact CE1-CG 4.05Å; Y24-Y92 AromaticContact CE2-CD2 3.83Å; Y24-Y92 HydrophobicContact CE2-CD2 3.83Å; Y24-Y92 HydrophobicContact CE2-CG 4.38Å; Y24-Y92 AromaticContact CZ-CD2 3.82Å; Y24-Y92 AromaticContact CZ-CG 3.89Å
93	G	66.1	Low	85.2	Confident	55 Å²	55	59.1 Å²	59.1	57%	0.567	32%	0.32	S	S	*	.	S	Bend	trans	66.8	46.7	173.5	0	0	0	0	0	113.1	D91	D91-G93 PolarHBondContact OD1-N 3.28Å
94	W	62.7	Low	85.2	Confident	216 Å²	216	60.3 Å²	60.3	82%	0.818	33%	0.326	S	S	*	.	S	Bend	trans	89.1	16.7	166.7	-43.6	98.5	0	0	0	116.3	D91	D91-W94 WeakPolarHBondContact OD1-CA 3.41Å; D91-W94 PolarHBondContact OD1-N 3.21Å
95	H	64.2	Low	85.2	Confident	127 Å²	127	60.1 Å²	60.1	59%	0.588	33%	0.325	S	S	*	.			trans	-129.1	129.6	173.8	-78.9	68	0	0	0	111.4	D91 D97	D91-H95 WeakPolarHBondContact CA-O 3.33Å; D91-H95 PolarHBondContact OD1-N 2.93Å; H95-D97 VanDerWaalsContact CB-OD1 3.23Å; H95-D97 WeakPolarHBondContact CB-OD1 3.46Å; H95-D97 PolarHBondContact O-N 2.82Å
96	F	67.3	Low	85.1	Confident	91 Å²	91	61.6 Å²	61.6	40%	0.399	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	75.1	171	-68.6	-64	0	0	0	110.5	H27 A89 D91 W99	H27-F96 HydrophobicContact CB-CE1 3.71Å; H27-F96 HydrophobicContact CB-CZ 4.43Å; H27-F96 AromaticContact CD2-CE1 3.61Å; H27-F96 AromaticContact CE1-CE1 3.85Å; H27-F96 AromaticContact CE1-CZ 3.91Å; H27-F96 AromaticContact CG-CE1 3.36Å; H27-F96 AromaticContact CG-CZ 3.95Å; H27-F96 AromaticContact ND1-CE1 3.5Å; H27-F96 AromaticContact ND1-CZ 3.6Å; H27-F96 AromaticContact NE2-CE1 3.95Å; A89-F96 HydrophobicContact CB-CD1 3.73Å; A89-F96 HydrophobicContact CB-CE1 4.38Å; A89-F96 HydrophobicContact CB-CG 4.46Å; D91-F96 HydrophobicContact CB-CD1 4.24Å; D91-F96 HydrophobicContact CB-CE1 4.23Å; F96-W99 HydrophobicContact CB-CZ2 4.23Å; F96-W99 HydrophobicContact CG-CZ2 4.29Å
97	D	68.4	Low	85	Confident	102 Å²	102	61.9 Å²	61.9	55%	0.545	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-26.8	-170.4	-67	-38.5	0	0	0	112.9	E90 H95	E90-D97 PolarHBondContact O-N 2.96Å; H95-D97 VanDerWaalsContact CB-OD1 3.23Å; H95-D97 WeakPolarHBondContact CB-OD1 3.46Å; H95-D97 PolarHBondContact O-N 2.82Å
98	V	81.4	Confident	84.7	Confident	37 Å²	37	62.2 Å²	62.2	22%	0.224	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	127.9	-175.1	-174	0	0	0	0	110.8	Y19 A89 E90	Y19-V98 HydrophobicContact CE2-CG2 4.34Å; A89-V98 CarbonylContact C-O 3.6Å; A89-V98 WeakPolarHBondContact CA-O 3.38Å; E90-V98 HydrophobicContact CB-CB 4.19Å; E90-V98 HydrophobicContact CG-CB 4.39Å; E90-V98 PolarHBondContact N-O 2.98Å
99	W	89.6	Confident	83.9	Confident	107 Å²	107	69.1 Å²	69.1	41%	0.405	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137.4	175.1	-72	71.6	0	0	0	110.9	V29 L37 Y87 A89 F96	V29-W99 HydrophobicContact CB-CH2 4.33Å; V29-W99 HydrophobicContact CB-CZ3 4.04Å; V29-W99 HydrophobicContact CG1-CH2 4.35Å; V29-W99 HydrophobicContact CG1-CZ3 4.27Å; V29-W99 HydrophobicContact CG2-CH2 3.87Å; V29-W99 HydrophobicContact CG2-CZ3 3.96Å; L37-W99 HydrophobicContact CD1-CH2 3.95Å; L37-W99 HydrophobicContact CD1-CZ3 4.4Å; Y87-W99 HydrophobicContact CG-CE3 4.3Å; Y87-W99 HydrophobicContact CG-CZ3 4.43Å; A89-W99 HydrophobicContact CB-CD2 3.79Å; A89-W99 HydrophobicContact CB-CE3 4.07Å; A89-W99 HydrophobicContact CB-CG 4.19Å; A89-W99 HydrophobicContact CB-CH2 4.42Å; A89-W99 HydrophobicContact CB-CZ2 4.15Å; A89-W99 HydrophobicContact CB-CZ3 4.38Å; F96-W99 HydrophobicContact CB-CZ2 4.23Å; F96-W99 HydrophobicContact CG-CZ2 4.29Å
100	G	89.8	Confident	83.5	Confident	28 Å²	28	72.6 Å²	72.6	29%	0.289	41%	0.413	S	S	.	.			trans	-69.6	158.5	168.5	0	0	0	0	0	111.8	C88 G102	C88-G100 PolarHBondContact O-N 3.03Å; G100-G102 PolarHBondContact O-N 3.05Å
101	A	90.9	Very high	83.1	Confident	109 Å²	109	75.9 Å²	75.9	90%	0.901	43%	0.433	S	S	*	.			trans	-63.1	-12.6	-179.3	0	0	0	0	0	114.6
102	G	93.3	Very high	83.1	Confident	28 Å²	28	79.3 Å²	79.3	29%	0.289	45%	0.452	S	S	.	.			trans	85.6	150.9	-178.4	0	0	0	0	0	113.4	Y86 G100	Y86-G102 CarbonylContact O-C 3.6Å; Y86-G102 VanDerWaalsContact O-CA 3.24Å; Y86-G102 WeakPolarHBondContact O-CA 3.49Å; G100-G102 PolarHBondContact O-N 3.05Å
103	T	95.7	Very high	83.6	Confident	41 Å²	41	75.9 Å²	75.9	25%	0.252	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	115.3	174.8	-62.2	0	0	0	0	109.1	E2 Y86 V105	E2-T103 HydrophobicContact CG-CG2 4.16Å; Y86-T103 PolarHBondContact N-O 3.46Å; Y86-T103 PolarHBondContact O-N 3.3Å; T103-V105 PolarHBondContact O-N 2.6Å
104	T	96.8	Very high	84.7	Confident	63 Å²	63	77.2 Å²	77.2	39%	0.387	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	122.9	170.3	-48.1	0	0	0	0	109.7	A1 E2	A1-T104 CarbonylContact C-O 3.37Å; A1-T104 WeakPolarHBondContact CA-O 3.44Å; E2-T104 PolarHBondContact N-O 3.25Å
105	V	96.1	Very high	86.2	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.006	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.6	168.4	179.6	0	0	0	0	107.5	E2 V10 M12 S83 A84 Y86 T103 V107	E2-V105 HydrophobicContact CB-CG2 4.23Å; E2-V105 CarbonylContact O-C 3.55Å; E2-V105 WeakPolarHBondContact O-CA 3.36Å; V10-V105 HydrophobicContact CG1-CG1 4.31Å; V10-V105 HydrophobicContact CG1-CG2 4.38Å; M12-V105 HydrophobicContact CE-CG2 4.02Å; S83-V105 CarbonylContact C-O 3.59Å; S83-V105 VanDerWaalsContact CA-O 3.25Å; S83-V105 WeakPolarHBondContact CA-O 3.32Å; A84-V105 PolarHBondContact N-O 3.38Å; A84-V105 PolarHBondContact O-N 3.28Å; Y86-V105 HydrophobicContact CD2-CB 4.01Å; Y86-V105 HydrophobicContact CD2-CG2 3.58Å; Y86-V105 HydrophobicContact CE2-CB 3.79Å; Y86-V105 HydrophobicContact CE2-CG2 3.79Å; T103-V105 PolarHBondContact O-N 2.6Å; V105-V107 HydrophobicContact CG1-CG2 4.26Å
106	T	96.1	Very high	87.7	Confident	63 Å²	63	63.7 Å²	63.7	39%	0.387	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.7	175	-58.1	0	0	0	0	108.7	E2 L3 A4	E2-T106 PolarHBondContact O-N 2.75Å; L3-T106 HydrophobicContact CD1-CG2 4.03Å; A4-T106 PolarHBondContact N-O 2.88Å
107	V	94.5	Very high	89.3	Confident	10 Å²	10	61.6 Å²	61.6	6%	0.061	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	109.1	177.6	-172.1	0	0	0	0	109.1	A4 P6 L78 T79 D82 S83 V105	A4-V107 VanDerWaalsContact O-CA 3.3Å; A4-V107 WeakPolarHBondContact O-CA 3.21Å; P6-V107 HydrophobicContact CG-CG1 4.18Å; L78-V107 HydrophobicContact CB-CG1 4.2Å; L78-V107 HydrophobicContact CB-CG2 3.97Å; L78-V107 HydrophobicContact CD1-CG2 4.27Å; L78-V107 HydrophobicContact CD2-CG2 4.42Å; L78-V107 HydrophobicContact CG-CG2 4.46Å; T79-V107 WeakPolarHBondContact O-CB 3.44Å; T79-V107 WeakPolarHBondContact O-CG2 2.83Å; D82-V107 HydrophobicContact CB-CG2 4.23Å; S83-V107 PolarHBondContact OG-N 2.65Å; V105-V107 HydrophobicContact CG1-CG2 4.26Å
108	S	90.9	Very high	91	Very high	55 Å²	55	58.3 Å²	58.3	39%	0.385	39%	0.39	S	S	.	.			trans	-136.8	146.1	-178.4	61.8	0	0	0	0	111.5	A4 P6	A4-S108 PolarHBondContact O-N 2.91Å; A4-S108 VanDerWaalsContact O-N 3.09Å; P6-S108 WeakPolarHBondContact CD-O 3.4Å
109	S	77.3	Confident	91.9	Very high	157 Å²	157	60.2 Å²	60.2	100%	1.098	41%	0.405	S	S	*	.			trans	-71.9	0	173.9	56.2	0	0	0	0	112.5

Retrieved 109 of 109 residues in 33 ms (Link to these results)

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