X5J4F6_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4F6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 aa.

						>X5J4F6_MOUSE|X5J4F6
AELAKPGASVKMSCKASGYTFTSYWMHWVKQRPGQGLEWIGYINPSTGYTEYNQKFKDKATLTADKSSSTAYMQLSSLTSEDSAVYYCARKGVTVANYFDYWGQGTTLTVSS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	78.8	Confident	93.8	Very high	112 Å²	112	78.3 Å²	78.3	93%	0.926	47%	0.473	S	S	*	.				0	141.1	0	0	0	0	0	0	107.6	T107	A1-T107 CarbonylContact C-O 3.52Å; A1-T107 WeakPolarHBondContact CA-O 3.31Å
2	E	88.4	Confident	94	Very high	98 Å²	98	72.7 Å²	72.7	46%	0.458	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.5	-179	-164.1	83.1	171.3	0	0	110	V10 T107 L108 T109	E2-V10 HydrophobicContact CB-CG2 4.39Å; E2-V10 HydrophobicContact CG-CG2 3.65Å; E2-T107 PolarHBondContact N-O 3.47Å; E2-L108 HydrophobicContact CB-CD1 3.85Å; E2-L108 HydrophobicContact CG-CD1 4.08Å; E2-L108 WeakPolarHBondContact O-CA 3.21Å; E2-T109 PolarHBondContact O-N 2.75Å
3	L	93.2	Very high	94.2	Very high	125 Å²	125	72.9 Å²	72.9	65%	0.654	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	125	171.3	-178.7	64.8	0	0	0	108.9	T109	L3-T109 HydrophobicContact CD1-CG2 4.05Å
4	A	94.9	Very high	94.4	Very high	13 Å²	13	68.8 Å²	68.8	11%	0.107	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152.9	-179.6	0	0	0	0	0	111.3	L78 L108 T109 V110 S111	A4-L78 HydrophobicContact CB-CD1 3.54Å; A4-L108 HydrophobicContact CB-CD1 4.1Å; A4-T109 PolarHBondContact N-O 2.65Å; A4-V110 VanDerWaalsContact O-CA 3.3Å; A4-V110 WeakPolarHBondContact O-CA 3.29Å; A4-S111 PolarHBondContact O-N 2.9Å; A4-S111 VanDerWaalsContact O-N 3.12Å
5	K	95.9	Very high	94.5	Very high	145 Å²	145	74.7 Å²	74.7	63%	0.63	44%	0.438	S	S	*	.			trans	-86	153.2	170.8	-67	-173.2	177.8	-173.5	0	110.6	G7 A8	K5-G7 PolarHBondContact O-N 3.26Å; K5-A8 WeakPolarHBondContact O-CB 3.49Å; K5-A8 PolarHBondContact O-N 3.02Å; K5-A8 VanDerWaalsContact O-N 3.14Å
6	P	97.1	Very high	94.4	Very high	75 Å²	75	70.7 Å²	70.7	49%	0.487	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	140.6	169.1	-25.5	34.1	0	0	0	112	A8 L78 V110	P6-A8 PolarHBondContact O-N 3.25Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 3.25Å; P6-V110 HydrophobicContact CG-CG1 4.18Å
7	G	95.9	Very high	94.2	Very high	55 Å²	55	72 Å²	72	57%	0.567	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	-14.6	-176.7	0	0	0	0	0	115.1	K5 L78	K5-G7 PolarHBondContact O-N 3.26Å; G7-L78 PolarHBondContact N-O 2.88Å
8	A	96.8	Very high	93.9	Very high	38 Å²	38	73 Å²	73	31%	0.314	46%	0.458	S	S	.	.			trans	-69.3	170.1	176.3	0	0	0	0	0	112.1	K5 P6 S77 L78	K5-A8 WeakPolarHBondContact O-CB 3.49Å; K5-A8 PolarHBondContact O-N 3.02Å; K5-A8 VanDerWaalsContact O-N 3.14Å; P6-A8 PolarHBondContact O-N 3.25Å; A8-S77 PolarHBondContact O-N 2.87Å; A8-L78 WeakPolarHBondContact O-CB 3.4Å; A8-L78 VanDerWaalsContact O-CG 3.27Å; A8-L78 WeakPolarHBondContact O-CG 3.16Å; A8-L78 PolarHBondContact O-N 2.8Å
9	S	96.8	Very high	93.6	Very high	69 Å²	69	71.6 Å²	71.6	48%	0.483	44%	0.444	S	S	.	.			trans	-117.9	144.7	169	-59.1	0	0	0	0	109.9	L75 S76	S9-L75 CarbonylContact C-O 3.51Å; S9-L75 WeakPolarHBondContact CA-O 3.43Å; S9-L75 WeakPolarHBondContact CB-O 3.31Å; S9-S76 WeakPolarHBondContact OG-CA 3.44Å
10	V	96.8	Very high	93.5	Very high	5 Å²	5	72.5 Å²	72.5	3%	0.03	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.4	175.5	62.8	0	0	0	0	109.8	E2 M12 Q74 L75 L78 L108	E2-V10 HydrophobicContact CB-CG2 4.39Å; E2-V10 HydrophobicContact CG-CG2 3.65Å; V10-M12 HydrophobicContact CG2-CG 4.22Å; V10-Q74 CarbonylContact O-C 3.57Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.28Å; V10-L75 HydrophobicContact CG1-CB 3.99Å; V10-L75 HydrophobicContact CG1-CD1 4.36Å; V10-L75 PolarHBondContact N-O 2.85Å; V10-L75 PolarHBondContact O-N 3.18Å; V10-L78 HydrophobicContact CB-CD1 4.17Å; V10-L78 HydrophobicContact CG1-CD1 3.89Å; V10-L78 HydrophobicContact CG1-CD2 4.3Å; V10-L108 HydrophobicContact CB-CD1 4.5Å; V10-L108 HydrophobicContact CG1-CD1 4.18Å; V10-L108 HydrophobicContact CG1-CD2 3.89Å; V10-L108 HydrophobicContact CG2-CD1 4.49Å
11	K	96.9	Very high	93.5	Very high	126 Å²	126	69.4 Å²	69.4	55%	0.548	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	118.5	171.9	-173.7	176.8	180	178.8	0	109.9	Y72	K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CD1 3.44Å; K11-Y72 VanDerWaalsContact CE-CG 3.46Å; K11-Y72 HydrophobicContact CG-CD1 4.34Å
12	M	96.1	Very high	94.2	Very high	11 Å²	11	66.5 Å²	66.5	5%	0.054	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	145.1	179.6	-50.4	-177.3	75.3	0	0	109.2	V10 W28 Y72 M73 Y86 T106	V10-M12 HydrophobicContact CG2-CG 4.22Å; M12-W28 HydrophobicContact CB-CH2 4.26Å; M12-W28 HydrophobicContact CB-CZ3 4.12Å; M12-Y72 CarbonylContact O-C 3.53Å; M12-Y72 WeakPolarHBondContact O-CA 3.47Å; M12-Y72 WeakPolarHBondContact O-CB 3.46Å; M12-M73 HydrophobicContact CG-CE 4.37Å; M12-M73 PolarHBondContact N-O 2.79Å; M12-M73 PolarHBondContact O-N 2.03Å; M12-M73 HydrophobicContact SD-CE 3.52Å; M12-M73 VanDerWaalsContact SD-CE 3.52Å; M12-Y86 HydrophobicContact CE-CD2 4.09Å; M12-Y86 HydrophobicContact CE-CG 4.1Å; M12-Y86 HydrophobicContact SD-CD2 4.04Å; M12-Y86 HydrophobicContact SD-CG 3.89Å; M12-T106 HydrophobicContact CE-CG2 3.45Å; M12-T106 VanDerWaalsContact CE-CG2 3.45Å
13	S	96.9	Very high	94.3	Very high	76 Å²	76	64.6 Å²	64.6	53%	0.531	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	150	179.9	65.3	0	0	0	0	111.8	A71 Y72	S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.27Å; S13-Y72 VanDerWaalsContact CB-CD1 3.49Å; S13-Y72 VanDerWaalsContact CB-CE1 3.47Å
14	C	96.5	Very high	94.1	Very high	15 Å²	15	61.7 Å²	61.7	10%	0.101	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	105.6	172.9	-180	0	0	0	0	108.6	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.85Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; C14-T70 WeakPolarHBondContact O-CA 3.49Å; C14-A71 PolarHBondContact N-O 3.08Å; C14-A71 PolarHBondContact O-N 2.97Å; C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.35Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.18Å
15	K	95.9	Very high	94.1	Very high	157 Å²	157	64.3 Å²	64.3	68%	0.683	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	123.3	-179.3	-172.1	174	-175.4	178.1	0	110	T70	K15-T70 HydrophobicContact CB-CG2 4.48Å
16	A	93	Very high	94.1	Very high	11 Å²	11	57.7 Å²	57.7	9%	0.091	36%	0.356	C	S	.	.			trans	-76.6	143.6	174.2	0	0	0	0	0	111	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.77Å; A16-Y19 HydrophobicContact CB-CE2 4.03Å; A16-Y19 VanDerWaalsContact CB-CZ 3.43Å; A16-Y19 VanDerWaalsContact CB-OH 3.29Å; A16-Y19 WeakPolarHBondContact CB-OH 3.4Å; A16-F21 HydrophobicContact CB-CB 4.03Å; A16-F21 HydrophobicContact CB-CD2 3.48Å; A16-F21 VanDerWaalsContact CB-CD2 3.48Å; A16-F21 HydrophobicContact CB-CE2 4.24Å; A16-F21 HydrophobicContact CB-CG 4.03Å; A16-S69 WeakPolarHBondContact CB-O 3.49Å; A16-S69 PolarHBondContact N-O 2.94Å
17	S	90.6	Very high	94.1	Very high	93 Å²	93	54.6 Å²	54.6	65%	0.65	34%	0.336	S	S	*	.			trans	-144.2	142.8	175.2	60	0	0	0	0	110.5	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.36Å; S17-Y19 PolarHBondContact O-N 3.23Å
18	G	89.2	Confident	94.2	Very high	90 Å²	90	52.2 Å²	52.2	93%	0.928	31%	0.31	S	S	*	.	S	Bend	trans	77.4	14.1	175.3	0	0	0	0	0	116
19	Y	87.7	Confident	94.2	Very high	47 Å²	47	50.6 Å²	50.6	18%	0.184	30%	0.296	C	S	.	.	S	Bend	trans	-157.5	164.3	174.1	64.5	-83.2	0	0	0	112	A16 S17 F21 Y24 R90	A16-Y19 HydrophobicContact CB-CE1 3.77Å; A16-Y19 HydrophobicContact CB-CE2 4.03Å; A16-Y19 VanDerWaalsContact CB-CZ 3.43Å; A16-Y19 VanDerWaalsContact CB-OH 3.29Å; A16-Y19 WeakPolarHBondContact CB-OH 3.4Å; S17-Y19 WeakPolarHBondContact O-CD1 3.36Å; S17-Y19 PolarHBondContact O-N 3.23Å; Y19-F21 PolarHBondContact O-N 2.64Å; Y19-F21 VanDerWaalsContact O-N 3.1Å; Y19-Y24 AromaticContact CD2-CD2 3.31Å; Y19-Y24 HydrophobicContact CD2-CD2 3.31Å; Y19-Y24 AromaticContact CD2-CE2 3.56Å; Y19-Y24 HydrophobicContact CD2-CE2 3.56Å; Y19-Y24 HydrophobicContact CD2-CG 4.1Å; Y19-Y24 AromaticContact CE2-CD2 3.66Å; Y19-Y24 HydrophobicContact CE2-CD2 3.66Å; Y19-Y24 HydrophobicContact CE2-CE2 4.32Å; Y19-Y24 HydrophobicContact CE2-CG 4.03Å; Y19-Y24 HydrophobicContact CG-CD2 4.33Å; Y19-Y24 HydrophobicContact CG-CE2 4.2Å; Y19-R90 VanDerWaalsContact CE1-NH1 3.29Å
20	T	92.1	Very high	94.2	Very high	88 Å²	88	47.4 Å²	47.4	54%	0.54	27%	0.273	S	S	.	.			trans	-70.4	101.9	172.2	-55.6	0	0	0	0	110	T22 S23 Y24	T20-T22 PolarHBondContact O-N 2.95Å; T20-T22 VanDerWaalsContact O-N 3.11Å; T20-S23 WeakPolarHBondContact CB-OG 3.31Å; T20-S23 WeakPolarHBondContact CG2-OG 3.33Å; T20-S23 WeakPolarHBondContact O-CB 3.36Å; T20-S23 PolarHBondContact O-N 2.8Å; T20-Y24 WeakPolarHBondContact O-CD2 3.18Å
21	F	93.3	Very high	94.3	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.035	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-52	-36.6	-174.5	175.5	-126.5	0	0	0	114.2	A16 Y19 S23 M26 P45 A64 A71	A16-F21 HydrophobicContact CB-CB 4.03Å; A16-F21 HydrophobicContact CB-CD2 3.48Å; A16-F21 VanDerWaalsContact CB-CD2 3.48Å; A16-F21 HydrophobicContact CB-CE2 4.24Å; A16-F21 HydrophobicContact CB-CG 4.03Å; Y19-F21 PolarHBondContact O-N 2.64Å; Y19-F21 VanDerWaalsContact O-N 3.1Å; F21-S23 VanDerWaalsContact C-N 3.28Å; F21-S23 PolarHBondContact O-N 3.02Å; F21-M26 HydrophobicContact CE2-CE 4.02Å; F21-P45 HydrophobicContact CD1-CB 3.8Å; F21-P45 HydrophobicContact CD1-CG 4.32Å; F21-P45 HydrophobicContact CD2-CG 4.15Å; F21-P45 HydrophobicContact CE1-CB 3.43Å; F21-P45 VanDerWaalsContact CE1-CB 3.43Å; F21-P45 HydrophobicContact CE1-CG 3.89Å; F21-P45 HydrophobicContact CE2-CB 4.17Å; F21-P45 HydrophobicContact CE2-CG 3.68Å; F21-P45 HydrophobicContact CG-CB 4.35Å; F21-P45 HydrophobicContact CG-CG 4.46Å; F21-P45 HydrophobicContact CZ-CB 3.63Å; F21-P45 HydrophobicContact CZ-CG 3.54Å; F21-A64 HydrophobicContact CE1-CB 4.18Å; F21-A64 HydrophobicContact CZ-CB 4.16Å; F21-A71 HydrophobicContact CE2-CB 4.27Å; F21-A71 HydrophobicContact CZ-CB 3.96Å
22	T	93.4	Very high	94.2	Very high	51 Å²	51	46.7 Å²	46.7	31%	0.313	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-75.9	-10.1	-179.2	52.5	0	0	0	0	114.5	T20 Y24 K66	T20-T22 PolarHBondContact O-N 2.95Å; T20-T22 VanDerWaalsContact O-N 3.11Å; T22-Y24 VanDerWaalsContact C-N 3.29Å; T22-K66 HydrophobicContact CG2-CD 4.45Å; T22-K66 HydrophobicContact CG2-CG 4.2Å
23	S	90.7	Very high	93.9	Very high	59 Å²	59	51.9 Å²	51.9	41%	0.413	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-85.3	0.9	177.7	-57.7	0	0	0	0	113.7	T20 F21 V93	T20-S23 WeakPolarHBondContact CB-OG 3.31Å; T20-S23 WeakPolarHBondContact CG2-OG 3.33Å; T20-S23 WeakPolarHBondContact O-CB 3.36Å; T20-S23 PolarHBondContact O-N 2.8Å; F21-S23 VanDerWaalsContact C-N 3.28Å; F21-S23 PolarHBondContact O-N 3.02Å; S23-V93 WeakPolarHBondContact O-CG2 3.45Å
24	Y	90.4	Very high	93.7	Very high	64 Å²	64	52.8 Å²	52.8	25%	0.251	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153	-174.1	-64.6	-96.2	0	0	0	110.7	Y19 T20 T22 P45 R90 K91	Y19-Y24 AromaticContact CD2-CD2 3.31Å; Y19-Y24 HydrophobicContact CD2-CD2 3.31Å; Y19-Y24 AromaticContact CD2-CE2 3.56Å; Y19-Y24 HydrophobicContact CD2-CE2 3.56Å; Y19-Y24 HydrophobicContact CD2-CG 4.1Å; Y19-Y24 AromaticContact CE2-CD2 3.66Å; Y19-Y24 HydrophobicContact CE2-CD2 3.66Å; Y19-Y24 HydrophobicContact CE2-CE2 4.32Å; Y19-Y24 HydrophobicContact CE2-CG 4.03Å; Y19-Y24 HydrophobicContact CG-CD2 4.33Å; Y19-Y24 HydrophobicContact CG-CE2 4.2Å; T20-Y24 WeakPolarHBondContact O-CD2 3.18Å; T22-Y24 VanDerWaalsContact C-N 3.29Å; Y24-P45 WeakPolarHBondContact O-CD 3.3Å; Y24-R90 HydrophobicContact CD1-CG 4.19Å; Y24-K91 WeakPolarHBondContact CA-O 3.44Å
25	W	93.6	Very high	93.6	Very high	68 Å²	68	56.8 Å²	56.8	26%	0.258	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	142	167.4	-61.5	-7.5	0	0	0	109.8	Y42 N44 R90 K91	W25-Y42 HydrophobicContact CB-CD2 3.87Å; W25-Y42 HydrophobicContact CB-CE2 4.43Å; W25-Y42 AromaticContact CD2-CD2 3.84Å; W25-Y42 HydrophobicContact CD2-CD2 3.84Å; W25-Y42 AromaticContact CD2-CE2 3.47Å; W25-Y42 HydrophobicContact CD2-CE2 3.47Å; W25-Y42 VanDerWaalsContact CD2-CE2 3.47Å; W25-Y42 AromaticContact CE3-CD2 3.72Å; W25-Y42 HydrophobicContact CE3-CD2 3.72Å; W25-Y42 HydrophobicContact CE3-CE1 4.43Å; W25-Y42 AromaticContact CE3-CE2 3.28Å; W25-Y42 HydrophobicContact CE3-CE2 3.28Å; W25-Y42 HydrophobicContact CE3-CG 4.46Å; W25-Y42 AromaticContact CE3-CZ 3.66Å; W25-Y42 AromaticContact CG-CD2 3.91Å; W25-Y42 HydrophobicContact CG-CD2 3.91Å; W25-Y42 AromaticContact CG-CE2 3.98Å; W25-Y42 HydrophobicContact CG-CE2 3.98Å; W25-Y42 HydrophobicContact CH2-CE2 4.26Å; W25-Y42 HydrophobicContact CZ2-CE2 4.42Å; W25-Y42 HydrophobicContact CZ3-CE1 4.44Å; W25-Y42 AromaticContact CZ3-CE2 3.7Å; W25-Y42 HydrophobicContact CZ3-CE2 3.7Å; W25-Y42 AromaticContact CZ3-CZ 3.62Å; W25-Y42 WeakPolarHBondContact CZ3-OH 3.41Å; W25-N44 PolarHBondContact NE1-ND2 3.16Å; W25-R90 WeakPolarHBondContact O-CA 3.32Å; W25-K91 PolarHBondContact N-O 3.24Å; W25-K91 PolarHBondContact O-N 3.41Å
26	M	96	Very high	93.5	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.025	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	114.5	174.5	-171.7	62.9	68.8	0	0	109.7	F21 Y42 I43 A71 C88	F21-M26 HydrophobicContact CE2-CE 4.02Å; M26-Y42 CarbonylContact O-C 3.52Å; M26-Y42 WeakPolarHBondContact O-CA 3.22Å; M26-Y42 WeakPolarHBondContact O-CB 3.25Å; M26-I43 HydrophobicContact CB-CG2 4Å; M26-I43 PolarHBondContact N-O 3.48Å; M26-I43 PolarHBondContact O-N 2.9Å; M26-A71 HydrophobicContact CB-CB 3.99Å; M26-A71 HydrophobicContact CG-CB 3.6Å; M26-C88 HydrophobicContact CG-CB 4.39Å; M26-C88 HydrophobicContact SD-CB 3.72Å
27	H	96.7	Very high	93.6	Very high	11 Å²	11	56 Å²	56	5%	0.051	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	149.7	177.9	-67.4	-114.7	0	0	0	110.6	W39 G41 Y42 C88 A89 F99	H27-W39 AromaticContact CG-NE1 3.9Å; H27-W39 AromaticContact ND1-CE2 3.88Å; H27-W39 AromaticContact ND1-NE1 3.11Å; H27-W39 PolarHBondContact ND1-NE1 2.81Å; H27-W39 VanDerWaalsContact ND1-NE1 3.11Å; H27-G41 WeakPolarHBondContact CA-O 3.14Å; H27-Y42 AromaticContact CE1-CG 3.86Å; H27-C88 CarbonylContact O-C 3.53Å; H27-C88 VanDerWaalsContact O-CA 3.23Å; H27-C88 WeakPolarHBondContact O-CA 2.97Å; H27-A89 PolarHBondContact N-O 2.85Å; H27-A89 PolarHBondContact O-N 2.78Å; H27-F99 HydrophobicContact CB-CD1 4.41Å; H27-F99 HydrophobicContact CB-CE1 3.55Å; H27-F99 HydrophobicContact CB-CZ 3.92Å; H27-F99 AromaticContact CD2-CE1 3.52Å; H27-F99 AromaticContact CE1-CE1 3.88Å; H27-F99 AromaticContact CG-CE1 3.25Å; H27-F99 AromaticContact CG-CZ 3.74Å; H27-F99 AromaticContact ND1-CE1 3.47Å; H27-F99 WeakPolarHBondContact ND1-CE1 3.33Å; H27-F99 AromaticContact ND1-CZ 3.58Å; H27-F99 AromaticContact NE2-CE1 3.9Å
28	W	97.9	Very high	93.9	Very high	5 Å²	5	53.1 Å²	53.1	2%	0.019	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136.9	175.4	-68.1	88.6	0	0	0	110.2	M12 C14 I40 G41 L62 A71 M73 Y87 C88	M12-W28 HydrophobicContact CB-CH2 4.26Å; M12-W28 HydrophobicContact CB-CZ3 4.12Å; C14-W28 HydrophobicContact CB-CH2 3.85Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; W28-I40 HydrophobicContact CB-CB 4.13Å; W28-I40 HydrophobicContact CB-CD1 4.29Å; W28-I40 WeakPolarHBondContact O-CB 3.44Å; W28-I40 PolarHBondContact O-N 2.82Å; W28-G41 PolarHBondContact N-O 3.12Å; W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 4.01Å; W28-A71 HydrophobicContact CZ2-CB 4.3Å; W28-M73 HydrophobicContact CB-SD 3.93Å; W28-M73 HydrophobicContact CD2-CB 3.59Å; W28-M73 HydrophobicContact CD2-CG 4.38Å; W28-M73 HydrophobicContact CD2-SD 4.07Å; W28-M73 HydrophobicContact CE3-CB 3.79Å; W28-M73 HydrophobicContact CE3-CE 3.86Å; W28-M73 HydrophobicContact CE3-SD 4Å; W28-M73 HydrophobicContact CG-CB 4.12Å; W28-M73 HydrophobicContact CG-SD 4.06Å; W28-M73 HydrophobicContact CH2-CB 4.03Å; W28-M73 HydrophobicContact CZ2-CB 3.85Å; W28-M73 HydrophobicContact CZ3-CB 4Å; W28-M73 HydrophobicContact CZ3-CE 4.26Å; W28-Y87 WeakPolarHBondContact CA-O 3.31Å; W28-C88 HydrophobicContact CD2-CB 4.47Å; W28-C88 HydrophobicContact CE3-CB 4.3Å; W28-C88 HydrophobicContact CH2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.27Å
29	V	97.6	Very high	94.2	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.024	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	134.5	-173.1	-176.5	0	0	0	0	109.4	L37 E38 Y86 Y87 W102	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; V29-E38 CarbonylContact C-O 3.57Å; V29-E38 WeakPolarHBondContact CA-O 3.41Å; V29-E38 WeakPolarHBondContact CG1-O 3.35Å; V29-Y86 CarbonylContact O-C 3.43Å; V29-Y86 WeakPolarHBondContact O-CA 3.32Å; V29-Y87 PolarHBondContact N-O 3.31Å; V29-Y87 PolarHBondContact O-N 3.18Å; V29-W102 HydrophobicContact CB-CH2 4.09Å; V29-W102 HydrophobicContact CB-CZ3 3.83Å; V29-W102 HydrophobicContact CG1-CH2 4.05Å; V29-W102 HydrophobicContact CG1-CZ3 4.03Å; V29-W102 HydrophobicContact CG2-CH2 3.74Å; V29-W102 HydrophobicContact CG2-CZ3 3.87Å
30	K	97.3	Very high	94.7	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	140.4	174.8	-177.5	177.5	-178.2	174.4	0	109.9	R32 E38 I40 F56 E81 D82 A84 Y86	K30-R32 VanDerWaalsContact NZ-NH2 3.16Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 2.94Å; K30-E38 PolarHBondContact O-N 3.47Å; K30-I40 HydrophobicContact CB-CD1 4.07Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; K30-F56 HydrophobicContact CD-CE1 3.99Å; K30-F56 HydrophobicContact CD-CZ 4.03Å; K30-E81 WeakPolarHBondContact CE-O 3.29Å; K30-E81 PolarHBondContact NZ-O 3.4Å; K30-D82 IonicContact NZ-OD1 3.72Å; K30-D82 PolarHBondContact NZ-OD1 2.92Å; K30-A84 HydrophobicContact CD-CB 4.24Å; K30-A84 HydrophobicContact CG-CB 3.58Å; K30-Y86 HydrophobicContact CB-CD1 4.07Å; K30-Y86 HydrophobicContact CB-CE1 3.85Å; K30-Y86 HydrophobicContact CD-CE1 3.88Å; K30-Y86 WeakPolarHBondContact CE-OH 3.49Å; K30-Y86 HydrophobicContact CG-CD1 4.26Å; K30-Y86 HydrophobicContact CG-CE1 3.71Å
31	Q	97.4	Very high	95	Very high	64 Å²	64	45.9 Å²	45.9	30%	0.299	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	115.4	171	-169	-178	28.5	0	0	110.1	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.9Å; Q31-L37 HydrophobicContact CG-CD2 3.97Å; Q31-A84 WeakPolarHBondContact O-CA 3.18Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.46Å; Q31-V85 PolarHBondContact N-O 2.87Å; Q31-V85 PolarHBondContact O-N 2.81Å; Q31-Y87 HydrophobicContact CB-CD2 4.44Å; Q31-Y87 HydrophobicContact CB-CE2 3.74Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.31Å; Q31-Y87 PolarHBondContact OE1-OH 2.88Å
32	R	95.2	Very high	95.1	Very high	53 Å²	53	46.3 Å²	46.3	20%	0.2	27%	0.269	C	S	.	.			trans	-84.4	151.2	170.3	-61.5	-165.7	-167.4	81.6	2.4	110.4	K30 G34 Q35 E38 E81 A84	K30-R32 VanDerWaalsContact NZ-NH2 3.16Å; R32-G34 PolarHBondContact O-N 2.77Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4Å; R32-Q35 PolarHBondContact O-N 2.91Å; R32-E38 IonicContact CZ-OE1 3.18Å; R32-E38 IonicContact NH1-OE1 2.71Å; R32-E38 PolarHBondContact NH1-OE1 2.81Å; R32-E38 IonicContact NH2-OE1 3.42Å; R32-E81 PolarHBondContact NE-O 3.08Å; R32-A84 HydrophobicContact CG-CB 4.25Å
33	P	91.3	Very high	95.3	Very high	120 Å²	120	44.1 Å²	44.1	78%	0.779	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	127.4	172.7	-25.3	34.6	0	0	0	111.4	Q35	P33-Q35 PolarHBondContact O-N 2.82Å
34	G	92.6	Very high	95.6	Very high	95 Å²	95	42.4 Å²	42.4	98%	0.979	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	4.9	-179.7	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 2.77Å
35	Q	93.6	Very high	95.9	Very high	98 Å²	98	39.5 Å²	39.5	46%	0.458	23%	0.23	S	C	.	.	S	Bend	trans	-113.1	161.1	177	-59	-173.1	0.2	0	0	111.9	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4Å; R32-Q35 PolarHBondContact O-N 2.91Å; P33-Q35 PolarHBondContact O-N 2.82Å
36	G	93.8	Very high	95.9	Very high	55 Å²	55	39 Å²	39	57%	0.567	24%	0.237	S	C	*	.			trans	-67.7	173.5	173.2	0	0	0	0	0	113.3
37	L	95.4	Very high	95.9	Very high	96 Å²	96	43.3 Å²	43.3	50%	0.503	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	127.7	174.1	-64.4	174.9	0	0	0	110.3	V29 Q31 W102	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; Q31-L37 HydrophobicContact CB-CD2 3.9Å; Q31-L37 HydrophobicContact CG-CD2 3.97Å; L37-W102 HydrophobicContact CD1-CH2 3.85Å; L37-W102 HydrophobicContact CD1-CZ2 4.41Å; L37-W102 HydrophobicContact CD1-CZ3 4.44Å
38	E	96.6	Very high	95.9	Very high	33 Å²	33	44.9 Å²	44.9	15%	0.154	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	114.8	173.6	-70.8	-169.6	-80.1	0	0	110	V29 K30 R32 I40 K55	V29-E38 CarbonylContact C-O 3.57Å; V29-E38 WeakPolarHBondContact CA-O 3.41Å; V29-E38 WeakPolarHBondContact CG1-O 3.35Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 2.94Å; K30-E38 PolarHBondContact O-N 3.47Å; R32-E38 IonicContact CZ-OE1 3.18Å; R32-E38 IonicContact NH1-OE1 2.71Å; R32-E38 PolarHBondContact NH1-OE1 2.81Å; R32-E38 IonicContact NH2-OE1 3.42Å; E38-I40 PolarHBondContact O-N 2.66Å; E38-K55 IonicContact OE2-NZ 3.47Å; E38-K55 PolarHBondContact OE2-NZ 3.48Å
39	W	96.4	Very high	95.8	Very high	74 Å²	74	50.7 Å²	50.7	28%	0.28	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	127.8	175.7	-179.8	72	0	0	0	111.1	H27 G41 Y42 E51 N53	H27-W39 AromaticContact CG-NE1 3.9Å; H27-W39 AromaticContact ND1-CE2 3.88Å; H27-W39 AromaticContact ND1-NE1 3.11Å; H27-W39 PolarHBondContact ND1-NE1 2.81Å; H27-W39 VanDerWaalsContact ND1-NE1 3.11Å; W39-G41 PolarHBondContact NE1-O 3.14Å; W39-G41 VanDerWaalsContact NE1-O 3.12Å; W39-Y42 HydrophobicContact CH2-CD1 4.18Å; W39-Y42 AromaticContact CZ2-CD1 3.63Å; W39-Y42 HydrophobicContact CZ2-CD1 3.63Å; W39-Y42 HydrophobicContact CZ2-CE1 4.37Å; W39-E51 HydrophobicContact CH2-CG 4.48Å; W39-N53 HydrophobicContact CE3-CB 3.84Å; W39-N53 HydrophobicContact CZ3-CB 4.09Å; W39-N53 WeakPolarHBondContact O-CB 3.48Å; W39-N53 PolarHBondContact O-ND2 2.86Å
40	I	97.9	Very high	95.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-47.1	-178.6	-62.3	175.6	0	0	0	110.4	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.13Å; W28-I40 HydrophobicContact CB-CD1 4.29Å; W28-I40 WeakPolarHBondContact O-CB 3.44Å; W28-I40 PolarHBondContact O-N 2.82Å; K30-I40 HydrophobicContact CB-CD1 4.07Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; E38-I40 PolarHBondContact O-N 2.66Å; I40-N53 PolarHBondContact O-N 2.98Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.27Å; I40-F56 HydrophobicContact CG1-CD1 4.14Å; I40-F56 HydrophobicContact CG1-CD2 4.22Å; I40-F56 HydrophobicContact CG1-CE1 4.1Å; I40-F56 HydrophobicContact CG1-CE2 4.16Å; I40-F56 HydrophobicContact CG1-CG 4.19Å; I40-F56 HydrophobicContact CG1-CZ 4.11Å; I40-F56 HydrophobicContact CG2-CB 3.78Å; I40-F56 HydrophobicContact CG2-CD1 4.22Å; I40-F56 HydrophobicContact CG2-CD2 4.4Å; I40-F56 HydrophobicContact CG2-CG 3.89Å; I40-A60 HydrophobicContact CG2-CB 3.77Å; I40-M73 HydrophobicContact CD1-CE 4.23Å; I40-M73 HydrophobicContact CD1-SD 3.55Å; I40-M73 VanDerWaalsContact CD1-SD 3.55Å; I40-M73 HydrophobicContact CG2-SD 4.16Å; I40-Y86 HydrophobicContact CD1-CD1 3.72Å; I40-Y86 HydrophobicContact CD1-CE1 3.84Å
41	G	97.3	Very high	95.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.9	-174.4	-172.4	0	0	0	0	0	112.1	H27 W28 W39 E51	H27-G41 WeakPolarHBondContact CA-O 3.14Å; W28-G41 PolarHBondContact N-O 3.12Å; W39-G41 PolarHBondContact NE1-O 3.14Å; W39-G41 VanDerWaalsContact NE1-O 3.12Å; G41-E51 CarbonylContact C-O 3.57Å; G41-E51 WeakPolarHBondContact CA-O 3.21Å
42	Y	97.1	Very high	95.8	Very high	17 Å²	17	56 Å²	56	7%	0.067	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	162.1	172.5	76.6	-81.5	0	0	0	112.9	W25 M26 H27 W39 Y49 T50 E51 L62	W25-Y42 HydrophobicContact CB-CD2 3.87Å; W25-Y42 HydrophobicContact CB-CE2 4.43Å; W25-Y42 AromaticContact CD2-CD2 3.84Å; W25-Y42 HydrophobicContact CD2-CD2 3.84Å; W25-Y42 AromaticContact CD2-CE2 3.47Å; W25-Y42 HydrophobicContact CD2-CE2 3.47Å; W25-Y42 VanDerWaalsContact CD2-CE2 3.47Å; W25-Y42 AromaticContact CE3-CD2 3.72Å; W25-Y42 HydrophobicContact CE3-CD2 3.72Å; W25-Y42 HydrophobicContact CE3-CE1 4.43Å; W25-Y42 AromaticContact CE3-CE2 3.28Å; W25-Y42 HydrophobicContact CE3-CE2 3.28Å; W25-Y42 HydrophobicContact CE3-CG 4.46Å; W25-Y42 AromaticContact CE3-CZ 3.66Å; W25-Y42 AromaticContact CG-CD2 3.91Å; W25-Y42 HydrophobicContact CG-CD2 3.91Å; W25-Y42 AromaticContact CG-CE2 3.98Å; W25-Y42 HydrophobicContact CG-CE2 3.98Å; W25-Y42 HydrophobicContact CH2-CE2 4.26Å; W25-Y42 HydrophobicContact CZ2-CE2 4.42Å; W25-Y42 HydrophobicContact CZ3-CE1 4.44Å; W25-Y42 AromaticContact CZ3-CE2 3.7Å; W25-Y42 HydrophobicContact CZ3-CE2 3.7Å; W25-Y42 AromaticContact CZ3-CZ 3.62Å; W25-Y42 WeakPolarHBondContact CZ3-OH 3.41Å; M26-Y42 CarbonylContact O-C 3.52Å; M26-Y42 WeakPolarHBondContact O-CA 3.22Å; M26-Y42 WeakPolarHBondContact O-CB 3.25Å; H27-Y42 AromaticContact CE1-CG 3.86Å; W39-Y42 HydrophobicContact CH2-CD1 4.18Å; W39-Y42 AromaticContact CZ2-CD1 3.63Å; W39-Y42 HydrophobicContact CZ2-CD1 3.63Å; W39-Y42 HydrophobicContact CZ2-CE1 4.37Å; Y42-Y49 HydrophobicContact CE2-CD1 4.21Å; Y42-Y49 HydrophobicContact CE2-CE1 4.41Å; Y42-T50 VanDerWaalsContact O-CA 3.26Å; Y42-T50 WeakPolarHBondContact O-CA 3.43Å; Y42-E51 HydrophobicContact CD1-CB 3.67Å; Y42-E51 HydrophobicContact CE1-CB 3.31Å; Y42-E51 HydrophobicContact CE1-CG 4.21Å; Y42-E51 WeakPolarHBondContact CE1-OE2 3.23Å; Y42-E51 PolarHBondContact N-O 3.5Å; Y42-E51 PolarHBondContact O-N 3.04Å; Y42-E51 VanDerWaalsContact O-N 3.11Å; Y42-E51 PolarHBondContact OH-OE2 3.48Å; Y42-L62 VanDerWaalsContact C-CD1 3.49Å; Y42-L62 WeakPolarHBondContact O-CD1 3.01Å
43	I	97.4	Very high	95.9	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	136.3	169	-174.3	163.9	0	0	0	110	M26 P45 Y49 T50 L62 T63 A64 A71	M26-I43 HydrophobicContact CB-CG2 4Å; M26-I43 PolarHBondContact N-O 3.48Å; M26-I43 PolarHBondContact O-N 2.9Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.14Å; I43-Y49 CarbonylContact C-O 3.57Å; I43-Y49 WeakPolarHBondContact CA-O 3.47Å; I43-T50 HydrophobicContact CB-CG2 3.88Å; I43-T50 HydrophobicContact CD1-CG2 3.89Å; I43-T50 HydrophobicContact CG1-CG2 3.76Å; I43-L62 HydrophobicContact CB-CB 4.18Å; I43-T63 VanDerWaalsContact CD1-C 3.48Å; I43-A64 HydrophobicContact CD1-CB 3.83Å; I43-A64 HydrophobicContact CG1-CB 4.45Å; I43-A71 HydrophobicContact CG2-CB 4.48Å
44	N	96.1	Very high	96.1	Very high	24 Å²	24	57 Å²	57	13%	0.128	33%	0.329	C	S	.	.			trans	-85	108	162.9	-179.5	-19.8	0	0	0	108.2	W25 S46 T47 G48 Y49	W25-N44 PolarHBondContact NE1-ND2 3.16Å; N44-S46 PolarHBondContact O-N 2.71Å; N44-S46 WeakPolarHBondContact OD1-CA 3.4Å; N44-S46 WeakPolarHBondContact OD1-CB 3.41Å; N44-S46 PolarHBondContact OD1-N 2.99Å; N44-T47 PolarHBondContact ND2-OG1 3.32Å; N44-T47 PolarHBondContact O-N 2.85Å; N44-T47 PolarHBondContact OD1-N 3.23Å; N44-G48 WeakPolarHBondContact O-CA 3.38Å; N44-G48 PolarHBondContact O-N 2.79Å; N44-Y49 PolarHBondContact N-O 3.42Å
45	P	95.9	Very high	96.2	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.019	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-21	-178	-19.5	34.2	0	0	0	113.6	F21 Y24 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.8Å; F21-P45 HydrophobicContact CD1-CG 4.32Å; F21-P45 HydrophobicContact CD2-CG 4.15Å; F21-P45 HydrophobicContact CE1-CB 3.43Å; F21-P45 VanDerWaalsContact CE1-CB 3.43Å; F21-P45 HydrophobicContact CE1-CG 3.89Å; F21-P45 HydrophobicContact CE2-CB 4.17Å; F21-P45 HydrophobicContact CE2-CG 3.68Å; F21-P45 HydrophobicContact CG-CB 4.35Å; F21-P45 HydrophobicContact CG-CG 4.46Å; F21-P45 HydrophobicContact CZ-CB 3.63Å; F21-P45 HydrophobicContact CZ-CG 3.54Å; Y24-P45 WeakPolarHBondContact O-CD 3.3Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.14Å; P45-A64 HydrophobicContact CB-CB 4.02Å; P45-K66 WeakPolarHBondContact O-CE 3.38Å
46	S	94.8	Very high	96.3	Very high	56 Å²	56	55.3 Å²	55.3	39%	0.392	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-46.6	177.1	-171.2	0	0	0	0	111.6	N44 K66	N44-S46 PolarHBondContact O-N 2.71Å; N44-S46 WeakPolarHBondContact OD1-CA 3.4Å; N44-S46 WeakPolarHBondContact OD1-CB 3.41Å; N44-S46 PolarHBondContact OD1-N 2.99Å; S46-K66 VanDerWaalsContact O-CE 3.29Å; S46-K66 WeakPolarHBondContact O-CE 3.27Å; S46-K66 PolarHBondContact O-NZ 2.89Å
47	T	95.6	Very high	96.4	Very high	96 Å²	96	58.4 Å²	58.4	59%	0.589	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-16.7	-172.9	62.6	0	0	0	0	114	N44 Y49	N44-T47 PolarHBondContact ND2-OG1 3.32Å; N44-T47 PolarHBondContact O-N 2.85Å; N44-T47 PolarHBondContact OD1-N 3.23Å; T47-Y49 PolarHBondContact O-N 2.69Å; T47-Y49 VanDerWaalsContact OG1-CB 3.32Å; T47-Y49 WeakPolarHBondContact OG1-CB 3.2Å; T47-Y49 PolarHBondContact OG1-N 3.11Å
48	G	95.9	Very high	96.3	Very high	44 Å²	44	61.1 Å²	61.1	45%	0.454	31%	0.307	S	S	.	.			trans	74.8	3.2	-169.5	0	0	0	0	0	113.9	N44 T50	N44-G48 WeakPolarHBondContact O-CA 3.38Å; N44-G48 PolarHBondContact O-N 2.79Å; G48-T50 PolarHBondContact O-N 3.05Å
49	Y	96.8	Very high	96.3	Very high	128 Å²	128	61.3 Å²	61.3	50%	0.502	31%	0.307	S	S	.	.			trans	-60.8	134.9	176.8	178.6	-96.5	0	0	0	110.5	Y42 I43 N44 T47 E51	Y42-Y49 HydrophobicContact CE2-CD1 4.21Å; Y42-Y49 HydrophobicContact CE2-CE1 4.41Å; I43-Y49 CarbonylContact C-O 3.57Å; I43-Y49 WeakPolarHBondContact CA-O 3.47Å; N44-Y49 PolarHBondContact N-O 3.42Å; T47-Y49 PolarHBondContact O-N 2.69Å; T47-Y49 VanDerWaalsContact OG1-CB 3.32Å; T47-Y49 WeakPolarHBondContact OG1-CB 3.2Å; T47-Y49 PolarHBondContact OG1-N 3.11Å; Y49-E51 HydrophobicContact CE1-CB 4.26Å
50	T	97.8	Very high	96.4	Very high	44 Å²	44	57.9 Å²	57.9	27%	0.27	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144.9	179	52.3	0	0	0	0	111.1	Y42 I43 G48 Y52 L62	Y42-T50 VanDerWaalsContact O-CA 3.26Å; Y42-T50 WeakPolarHBondContact O-CA 3.43Å; I43-T50 HydrophobicContact CB-CG2 3.88Å; I43-T50 HydrophobicContact CD1-CG2 3.89Å; I43-T50 HydrophobicContact CG1-CG2 3.76Å; G48-T50 PolarHBondContact O-N 3.05Å; T50-Y52 WeakPolarHBondContact OG1-CE2 2.93Å; T50-L62 HydrophobicContact CG2-CB 3.91Å
51	E	97.3	Very high	96.4	Very high	85 Å²	85	61.3 Å²	61.3	40%	0.397	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	145.3	169.6	-162.9	-179.8	145	0	0	108.7	W39 G41 Y42 Y49	W39-E51 HydrophobicContact CH2-CG 4.48Å; G41-E51 CarbonylContact C-O 3.57Å; G41-E51 WeakPolarHBondContact CA-O 3.21Å; Y42-E51 HydrophobicContact CD1-CB 3.67Å; Y42-E51 HydrophobicContact CE1-CB 3.31Å; Y42-E51 HydrophobicContact CE1-CG 4.21Å; Y42-E51 WeakPolarHBondContact CE1-OE2 3.23Å; Y42-E51 PolarHBondContact N-O 3.5Å; Y42-E51 PolarHBondContact O-N 3.04Å; Y42-E51 VanDerWaalsContact O-N 3.11Å; Y42-E51 PolarHBondContact OH-OE2 3.48Å; Y49-E51 HydrophobicContact CE1-CB 4.26Å
52	Y	97.9	Very high	96.5	Very high	50 Å²	50	61.7 Å²	61.7	20%	0.196	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.8	-174	-61.6	-94.3	0	0	0	110.2	T50 A60 L62	T50-Y52 WeakPolarHBondContact OG1-CE2 2.93Å; Y52-A60 HydrophobicContact CD1-CB 4.5Å; Y52-A60 HydrophobicContact CE1-CB 4.31Å; Y52-A60 VanDerWaalsContact CE1-O 3.25Å; Y52-A60 WeakPolarHBondContact CE1-O 3Å; Y52-L62 HydrophobicContact CE1-CB 4.5Å; Y52-L62 HydrophobicContact CE1-CD1 4.05Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 3.02Å
53	N	96.9	Very high	96.5	Very high	47 Å²	47	63.8 Å²	63.8	25%	0.251	33%	0.332	S	S	.	.			trans	-66.2	136.4	156.7	-179.5	-28.8	0	0	0	108.9	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.84Å; W39-N53 HydrophobicContact CZ3-CB 4.09Å; W39-N53 WeakPolarHBondContact O-CB 3.48Å; W39-N53 PolarHBondContact O-ND2 2.86Å; I40-N53 PolarHBondContact O-N 2.98Å; N53-K55 PolarHBondContact O-N 3.02Å; N53-K55 PolarHBondContact OD1-N 3.04Å; N53-K55 VanDerWaalsContact OD1-N 3.11Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.88Å; N53-K57 PolarHBondContact O-N 2.83Å
54	Q	96.1	Very high	96.6	Very high	148 Å²	148	65.2 Å²	65.2	69%	0.692	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-50.5	-35.8	-177.8	-161	73.8	2.5	0	0	113	F56	Q54-F56 PolarHBondContact O-N 2.91Å
55	K	94.2	Very high	96.6	Very high	148 Å²	148	66.7 Å²	66.7	64%	0.643	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-61.8	-25.7	178.2	-68.1	-175.5	-179.3	-178.4	0	114.2	E38 N53	E38-K55 IonicContact OE2-NZ 3.47Å; E38-K55 PolarHBondContact OE2-NZ 3.48Å; N53-K55 PolarHBondContact O-N 3.02Å; N53-K55 PolarHBondContact OD1-N 3.04Å; N53-K55 VanDerWaalsContact OD1-N 3.11Å
56	F	96.1	Very high	96.6	Very high	9 Å²	9	72.3 Å²	72.3	4%	0.039	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-114	-3.2	-172.2	-62.3	-84.2	0	0	0	113.4	K30 I40 N53 Q54 D58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.99Å; K30-F56 HydrophobicContact CD-CZ 4.03Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.27Å; I40-F56 HydrophobicContact CG1-CD1 4.14Å; I40-F56 HydrophobicContact CG1-CD2 4.22Å; I40-F56 HydrophobicContact CG1-CE1 4.1Å; I40-F56 HydrophobicContact CG1-CE2 4.16Å; I40-F56 HydrophobicContact CG1-CG 4.19Å; I40-F56 HydrophobicContact CG1-CZ 4.11Å; I40-F56 HydrophobicContact CG2-CB 3.78Å; I40-F56 HydrophobicContact CG2-CD1 4.22Å; I40-F56 HydrophobicContact CG2-CD2 4.4Å; I40-F56 HydrophobicContact CG2-CG 3.89Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.88Å; Q54-F56 PolarHBondContact O-N 2.91Å; F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 3.12Å; F56-K59 PolarHBondContact O-N 2.91Å; F56-A60 HydrophobicContact CB-CB 4.31Å; F56-A60 PolarHBondContact O-N 3.11Å
57	K	94.5	Very high	96.6	Very high	121 Å²	121	74.9 Å²	74.9	53%	0.526	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-38.3	-173.6	-169.9	176.4	-178.2	179.6	0	113.4	N53	N53-K57 PolarHBondContact O-N 2.83Å
58	D	94.9	Very high	96.6	Very high	153 Å²	153	72 Å²	72	82%	0.818	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-0.7	179.7	-55	-39.8	0	0	0	113	F56	F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 3.12Å
59	K	96.3	Very high	96.7	Very high	36 Å²	36	71.9 Å²	71.9	16%	0.157	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-38.1	-172.4	-170.5	73.7	175.4	-162.9	0	112.8	F56 L75 S76 S77 D82	F56-K59 PolarHBondContact O-N 2.91Å; K59-L75 HydrophobicContact CG-CD2 4.32Å; K59-L75 WeakPolarHBondContact O-CA 3.43Å; K59-S76 WeakPolarHBondContact CD-O 3.39Å; K59-S76 WeakPolarHBondContact CE-O 3.26Å; K59-S76 PolarHBondContact NZ-O 2.8Å; K59-S76 VanDerWaalsContact NZ-O 3.13Å; K59-S76 PolarHBondContact O-N 2.77Å; K59-S76 PolarHBondContact O-OG 2.96Å; K59-S77 PolarHBondContact NZ-O 2.97Å; K59-D82 WeakPolarHBondContact CE-OD2 3.49Å; K59-D82 IonicContact NZ-OD2 2.78Å; K59-D82 PolarHBondContact NZ-OD2 2.88Å
60	A	97.8	Very high	96.7	Very high	3 Å²	3	66.2 Å²	66.2	3%	0.025	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	139	-174.3	0	0	0	0	0	110.7	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.77Å; Y52-A60 HydrophobicContact CD1-CB 4.5Å; Y52-A60 HydrophobicContact CE1-CB 4.31Å; Y52-A60 VanDerWaalsContact CE1-O 3.25Å; Y52-A60 WeakPolarHBondContact CE1-O 3Å; F56-A60 HydrophobicContact CB-CB 4.31Å; F56-A60 PolarHBondContact O-N 3.11Å; A60-M73 HydrophobicContact CB-CG 4.43Å; A60-Q74 CarbonylContact C-O 3.53Å; A60-Q74 VanDerWaalsContact CA-O 3.31Å; A60-Q74 WeakPolarHBondContact CA-O 3.47Å; A60-L75 HydrophobicContact CB-CD2 3.93Å
61	T	98.4	Very high	96.7	Very high	72 Å²	72	64.1 Å²	64.1	44%	0.442	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.7	168.5	-58.5	0	0	0	0	109	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.38Å; T61-M73 WeakPolarHBondContact O-CA 3.16Å; T61-Q74 PolarHBondContact N-O 2.98Å; T61-Q74 PolarHBondContact O-N 2.92Å
62	L	98.5	Very high	96.8	Very high	8 Å²	8	62.6 Å²	62.6	4%	0.042	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.1	179.5	-53.2	-176	0	0	0	110.5	W28 Y42 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 4.01Å; Y42-L62 VanDerWaalsContact C-CD1 3.49Å; Y42-L62 WeakPolarHBondContact O-CD1 3.01Å; I43-L62 HydrophobicContact CB-CB 4.18Å; T50-L62 HydrophobicContact CG2-CB 3.91Å; Y52-L62 HydrophobicContact CE1-CB 4.5Å; Y52-L62 HydrophobicContact CE1-CD1 4.05Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 3.02Å; L62-Y72 WeakPolarHBondContact CA-O 3.08Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.65Å; L62-M73 HydrophobicContact CD2-SD 4.4Å
63	T	98.3	Very high	96.8	Very high	60 Å²	60	60.2 Å²	60.2	37%	0.368	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	162	176.7	56.6	0	0	0	0	110.5	I43 T61 A71 Y72	I43-T63 VanDerWaalsContact CD1-C 3.48Å; T61-T63 HydrophobicContact CG2-CG2 4.38Å; T63-A71 CarbonylContact O-C 3.59Å; T63-A71 WeakPolarHBondContact O-CA 3.38Å; T63-Y72 PolarHBondContact N-O 3.5Å; T63-Y72 PolarHBondContact O-N 2.75Å
64	A	97.8	Very high	96.8	Very high	35 Å²	35	62 Å²	62	29%	0.289	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	137.8	177.5	0	0	0	0	0	110.6	F21 I43 P45	F21-A64 HydrophobicContact CE1-CB 4.18Å; F21-A64 HydrophobicContact CZ-CB 4.16Å; I43-A64 HydrophobicContact CD1-CB 3.83Å; I43-A64 HydrophobicContact CG1-CB 4.45Å; P45-A64 HydrophobicContact CB-CB 4.02Å
65	D	97.3	Very high	96.9	Very high	55 Å²	55	55 Å²	55	29%	0.294	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	111.6	171.1	174.8	8.8	0	0	0	109	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.33Å; D65-S67 WeakPolarHBondContact OD1-CB 2.99Å; D65-S67 PolarHBondContact OD1-N 2.95Å; D65-S67 PolarHBondContact OD1-OG 3.3Å; D65-S67 PolarHBondContact OD2-OG 3.18Å; D65-S68 WeakPolarHBondContact CB-OG 3.41Å; D65-S68 WeakPolarHBondContact OD2-CB 3.4Å; D65-S68 PolarHBondContact OD2-OG 3.13Å; D65-S69 WeakPolarHBondContact O-CA 3.35Å; D65-S69 PolarHBondContact O-N 2.86Å; D65-S69 VanDerWaalsContact O-N 3.08Å; D65-T70 PolarHBondContact N-O 3.27Å; D65-T70 PolarHBondContact O-N 3.22Å; D65-Y72 HydrophobicContact CB-CE2 4.01Å
66	K	95.3	Very high	97	Very high	120 Å²	120	49.5 Å²	49.5	52%	0.522	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-35.6	-179.6	-64.1	174.9	178.4	175.4	0	111.7	T22 P45 S46 S69	T22-K66 HydrophobicContact CG2-CD 4.45Å; T22-K66 HydrophobicContact CG2-CG 4.2Å; P45-K66 WeakPolarHBondContact O-CE 3.38Å; S46-K66 VanDerWaalsContact O-CE 3.29Å; S46-K66 WeakPolarHBondContact O-CE 3.27Å; S46-K66 PolarHBondContact O-NZ 2.89Å; K66-S69 PolarHBondContact O-N 2.84Å
67	S	94.7	Very high	97	Very high	110 Å²	110	52.8 Å²	52.8	77%	0.769	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-41.2	-174.4	71.1	0	0	0	0	111.6	D65	D65-S67 VanDerWaalsContact C-N 3.33Å; D65-S67 WeakPolarHBondContact OD1-CB 2.99Å; D65-S67 PolarHBondContact OD1-N 2.95Å; D65-S67 PolarHBondContact OD1-OG 3.3Å; D65-S67 PolarHBondContact OD2-OG 3.18Å
68	S	96.6	Very high	97.2	Very high	37 Å²	37	47.1 Å²	47.1	26%	0.259	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	0.4	176.8	65.2	0	0	0	0	113.7	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.41Å; D65-S68 WeakPolarHBondContact OD2-CB 3.4Å; D65-S68 PolarHBondContact OD2-OG 3.13Å; S68-T70 PolarHBondContact O-N 2.97Å; S68-T70 PolarHBondContact O-OG1 3.25Å; S68-T70 WeakPolarHBondContact OG-CB 3.16Å; S68-T70 PolarHBondContact OG-OG1 2.78Å
69	S	96.8	Very high	97.2	Very high	40 Å²	40	42.6 Å²	42.6	28%	0.28	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	42.5	-173.7	-65	0	0	0	0	112.9	A16 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.49Å; A16-S69 PolarHBondContact N-O 2.94Å; D65-S69 WeakPolarHBondContact O-CA 3.35Å; D65-S69 PolarHBondContact O-N 2.86Å; D65-S69 VanDerWaalsContact O-N 3.08Å; K66-S69 PolarHBondContact O-N 2.84Å
70	T	97.8	Very high	97.1	Very high	9 Å²	9	45 Å²	45	6%	0.055	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.1	-173.2	-56.3	0	0	0	0	110.9	C14 K15 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.49Å; K15-T70 HydrophobicContact CB-CG2 4.48Å; D65-T70 PolarHBondContact N-O 3.27Å; D65-T70 PolarHBondContact O-N 3.22Å; S68-T70 PolarHBondContact O-N 2.97Å; S68-T70 PolarHBondContact O-OG1 3.25Å; S68-T70 WeakPolarHBondContact OG-CB 3.16Å; S68-T70 PolarHBondContact OG-OG1 2.78Å; T70-Y72 HydrophobicContact CG2-CD1 4.25Å; T70-Y72 HydrophobicContact CG2-CD2 4.37Å; T70-Y72 HydrophobicContact CG2-CE1 3.65Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.26Å
71	A	97.9	Very high	96.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	150.6	167.5	0	0	0	0	0	110	S13 C14 F21 M26 W28 I43 T63	S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.27Å; C14-A71 PolarHBondContact N-O 3.08Å; C14-A71 PolarHBondContact O-N 2.97Å; F21-A71 HydrophobicContact CE2-CB 4.27Å; F21-A71 HydrophobicContact CZ-CB 3.96Å; M26-A71 HydrophobicContact CB-CB 3.99Å; M26-A71 HydrophobicContact CG-CB 3.6Å; W28-A71 HydrophobicContact CZ2-CB 4.3Å; I43-A71 HydrophobicContact CG2-CB 4.48Å; T63-A71 CarbonylContact O-C 3.59Å; T63-A71 WeakPolarHBondContact O-CA 3.38Å
72	Y	98.2	Very high	96.8	Very high	53 Å²	53	48.3 Å²	48.3	21%	0.208	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.3	176.7	-53.7	-91	0	0	0	111.2	K11 M12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CD1 3.44Å; K11-Y72 VanDerWaalsContact CE-CG 3.46Å; K11-Y72 HydrophobicContact CG-CD1 4.34Å; M12-Y72 CarbonylContact O-C 3.53Å; M12-Y72 WeakPolarHBondContact O-CA 3.47Å; M12-Y72 WeakPolarHBondContact O-CB 3.46Å; S13-Y72 VanDerWaalsContact CB-CD1 3.49Å; S13-Y72 VanDerWaalsContact CB-CE1 3.47Å; L62-Y72 WeakPolarHBondContact CA-O 3.08Å; T63-Y72 PolarHBondContact N-O 3.5Å; T63-Y72 PolarHBondContact O-N 2.75Å; D65-Y72 HydrophobicContact CB-CE2 4.01Å; T70-Y72 HydrophobicContact CG2-CD1 4.25Å; T70-Y72 HydrophobicContact CG2-CD2 4.37Å; T70-Y72 HydrophobicContact CG2-CE1 3.65Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.26Å
73	M	98.1	Very high	96.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124	166.8	176.1	-176.3	70.4	0	0	108.2	M12 W28 I40 A60 T61 L62 L75 Y86	M12-M73 HydrophobicContact CG-CE 4.37Å; M12-M73 PolarHBondContact N-O 2.79Å; M12-M73 PolarHBondContact O-N 2.03Å; M12-M73 HydrophobicContact SD-CE 3.52Å; M12-M73 VanDerWaalsContact SD-CE 3.52Å; W28-M73 HydrophobicContact CB-SD 3.93Å; W28-M73 HydrophobicContact CD2-CB 3.59Å; W28-M73 HydrophobicContact CD2-CG 4.38Å; W28-M73 HydrophobicContact CD2-SD 4.07Å; W28-M73 HydrophobicContact CE3-CB 3.79Å; W28-M73 HydrophobicContact CE3-CE 3.86Å; W28-M73 HydrophobicContact CE3-SD 4Å; W28-M73 HydrophobicContact CG-CB 4.12Å; W28-M73 HydrophobicContact CG-SD 4.06Å; W28-M73 HydrophobicContact CH2-CB 4.03Å; W28-M73 HydrophobicContact CZ2-CB 3.85Å; W28-M73 HydrophobicContact CZ3-CB 4Å; W28-M73 HydrophobicContact CZ3-CE 4.26Å; I40-M73 HydrophobicContact CD1-CE 4.23Å; I40-M73 HydrophobicContact CD1-SD 3.55Å; I40-M73 VanDerWaalsContact CD1-SD 3.55Å; I40-M73 HydrophobicContact CG2-SD 4.16Å; A60-M73 HydrophobicContact CB-CG 4.43Å; T61-M73 WeakPolarHBondContact O-CA 3.16Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.65Å; L62-M73 HydrophobicContact CD2-SD 4.4Å; M73-L75 HydrophobicContact CE-CD1 3.9Å; M73-L75 HydrophobicContact CE-CD2 4.35Å; M73-L75 HydrophobicContact CE-CG 3.99Å; M73-L75 HydrophobicContact CG-CD2 4.44Å; M73-L75 HydrophobicContact CG-CG 4.44Å; M73-L75 HydrophobicContact SD-CD2 4.15Å; M73-L75 HydrophobicContact SD-CG 4.37Å; M73-Y86 HydrophobicContact CE-CD1 3.61Å; M73-Y86 HydrophobicContact CE-CE1 4.2Å; M73-Y86 HydrophobicContact CE-CG 4.08Å
74	Q	98.1	Very high	96.7	Very high	85 Å²	85	47 Å²	47	40%	0.397	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.3	169.5	-176.6	172.9	-0.5	0	0	109.3	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.57Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.28Å; A60-Q74 CarbonylContact C-O 3.53Å; A60-Q74 VanDerWaalsContact CA-O 3.31Å; A60-Q74 WeakPolarHBondContact CA-O 3.47Å; T61-Q74 PolarHBondContact N-O 2.98Å; T61-Q74 PolarHBondContact O-N 2.92Å
75	L	97.6	Very high	96.7	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.4	170.8	-65.1	170.8	0	0	0	108.7	S9 V10 K59 A60 M73 L78 Y86 L108	S9-L75 CarbonylContact C-O 3.51Å; S9-L75 WeakPolarHBondContact CA-O 3.43Å; S9-L75 WeakPolarHBondContact CB-O 3.31Å; V10-L75 HydrophobicContact CG1-CB 3.99Å; V10-L75 HydrophobicContact CG1-CD1 4.36Å; V10-L75 PolarHBondContact N-O 2.85Å; V10-L75 PolarHBondContact O-N 3.18Å; K59-L75 HydrophobicContact CG-CD2 4.32Å; K59-L75 WeakPolarHBondContact O-CA 3.43Å; A60-L75 HydrophobicContact CB-CD2 3.93Å; M73-L75 HydrophobicContact CE-CD1 3.9Å; M73-L75 HydrophobicContact CE-CD2 4.35Å; M73-L75 HydrophobicContact CE-CG 3.99Å; M73-L75 HydrophobicContact CG-CD2 4.44Å; M73-L75 HydrophobicContact CG-CG 4.44Å; M73-L75 HydrophobicContact SD-CD2 4.15Å; M73-L75 HydrophobicContact SD-CG 4.37Å; L75-L78 HydrophobicContact CB-CD2 3.8Å; L75-L78 HydrophobicContact CD1-CD2 4.38Å; L75-Y86 HydrophobicContact CD1-CD1 4.29Å; L75-Y86 HydrophobicContact CD1-CE1 3.61Å; L75-Y86 HydrophobicContact CD1-CE2 4.22Å; L75-L108 HydrophobicContact CD1-CD2 4.13Å
76	S	96.9	Very high	96.8	Very high	34 Å²	34	44.5 Å²	44.5	24%	0.238	26%	0.258	C	S	.	.			trans	-104.4	160.5	-179.9	59.4	0	0	0	0	112.4	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.44Å; K59-S76 WeakPolarHBondContact CD-O 3.39Å; K59-S76 WeakPolarHBondContact CE-O 3.26Å; K59-S76 PolarHBondContact NZ-O 2.8Å; K59-S76 VanDerWaalsContact NZ-O 3.13Å; K59-S76 PolarHBondContact O-N 2.77Å; K59-S76 PolarHBondContact O-OG 2.96Å; S76-L78 VanDerWaalsContact C-N 3.31Å; S76-L78 PolarHBondContact O-N 2.88Å
77	S	96.2	Very high	96.9	Very high	77 Å²	77	40.9 Å²	40.9	54%	0.538	24%	0.242	S	C	.	.	S	Bend	trans	49.7	48	170.7	-55.9	0	0	0	0	113.2	A8 K59	A8-S77 PolarHBondContact O-N 2.87Å; K59-S77 PolarHBondContact NZ-O 2.97Å
78	L	96.9	Very high	97	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	21%	0.211	C	C	.	.			trans	-56.3	140.9	-169.7	-72.2	172.6	0	0	0	113	A4 P6 G7 A8 V10 L75 S76 D82 L108 V110	A4-L78 HydrophobicContact CB-CD1 3.54Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 3.25Å; G7-L78 PolarHBondContact N-O 2.88Å; A8-L78 WeakPolarHBondContact O-CB 3.4Å; A8-L78 VanDerWaalsContact O-CG 3.27Å; A8-L78 WeakPolarHBondContact O-CG 3.16Å; A8-L78 PolarHBondContact O-N 2.8Å; V10-L78 HydrophobicContact CB-CD1 4.17Å; V10-L78 HydrophobicContact CG1-CD1 3.89Å; V10-L78 HydrophobicContact CG1-CD2 4.3Å; L75-L78 HydrophobicContact CB-CD2 3.8Å; L75-L78 HydrophobicContact CD1-CD2 4.38Å; S76-L78 VanDerWaalsContact C-N 3.31Å; S76-L78 PolarHBondContact O-N 2.88Å; L78-D82 WeakPolarHBondContact CA-OD2 3.46Å; L78-D82 HydrophobicContact CD2-CB 3.76Å; L78-L108 HydrophobicContact CD1-CD2 4.39Å; L78-L108 HydrophobicContact CD2-CD2 3.92Å; L78-V110 HydrophobicContact CB-CG1 4.08Å; L78-V110 HydrophobicContact CB-CG2 4.07Å; L78-V110 HydrophobicContact CD1-CG2 4.22Å; L78-V110 HydrophobicContact CD2-CG2 4.42Å; L78-V110 HydrophobicContact CG-CG2 4.48Å
79	T	96.1	Very high	96.9	Very high	58 Å²	58	34.7 Å²	34.7	36%	0.356	20%	0.199	S	C	.	.			trans	-120.7	168.2	172.2	68.1	0	0	0	0	110.1	E81 D82 V110	T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 VanDerWaalsContact O-N 3.16Å; T79-D82 PolarHBondContact N-OD2 3.48Å; T79-D82 VanDerWaalsContact O-CB 3.32Å; T79-D82 WeakPolarHBondContact O-CB 3.45Å; T79-D82 PolarHBondContact O-N 3.11Å; T79-D82 PolarHBondContact OG1-OD2 2.86Å; T79-V110 WeakPolarHBondContact O-CB 2.85Å; T79-V110 WeakPolarHBondContact O-CG1 3.41Å
80	S	94.9	Very high	96.6	Very high	86 Å²	86	35.1 Å²	35.1	60%	0.601	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-55.6	-31.6	175.9	51.2	0	0	0	0	112.6	D82 S83	S80-D82 PolarHBondContact O-N 3.06Å; S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.42Å; S80-S83 PolarHBondContact O-N 2.85Å; S80-S83 VanDerWaalsContact O-N 3.08Å; S80-S83 PolarHBondContact O-OG 3.34Å
81	E	93.5	Very high	96	Very high	135 Å²	135	37 Å²	37	63%	0.631	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-67.1	-14.6	176.8	-59.4	-175.7	175.9	0	0	114.2	K30 R32 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.29Å; K30-E81 PolarHBondContact NZ-O 3.4Å; R32-E81 PolarHBondContact NE-O 3.08Å; T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 VanDerWaalsContact O-N 3.16Å; E81-S83 VanDerWaalsContact C-N 3.27Å
82	D	96	Very high	94.7	Very high	10 Å²	10	38 Å²	38	5%	0.053	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-80.5	-7.5	173.4	-63.5	-45.7	0	0	0	113	K30 K59 L78 T79 S80 A84 Y86 V110	K30-D82 IonicContact NZ-OD1 3.72Å; K30-D82 PolarHBondContact NZ-OD1 2.92Å; K59-D82 WeakPolarHBondContact CE-OD2 3.49Å; K59-D82 IonicContact NZ-OD2 2.78Å; K59-D82 PolarHBondContact NZ-OD2 2.88Å; L78-D82 WeakPolarHBondContact CA-OD2 3.46Å; L78-D82 HydrophobicContact CD2-CB 3.76Å; T79-D82 PolarHBondContact N-OD2 3.48Å; T79-D82 VanDerWaalsContact O-CB 3.32Å; T79-D82 WeakPolarHBondContact O-CB 3.45Å; T79-D82 PolarHBondContact O-N 3.11Å; T79-D82 PolarHBondContact OG1-OD2 2.86Å; S80-D82 PolarHBondContact O-N 3.06Å; D82-A84 PolarHBondContact O-N 2.88Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 2.92Å; D82-Y86 PolarHBondContact O-OH 3.32Å; D82-V110 HydrophobicContact CB-CG2 4.19Å
83	S	97.3	Very high	93.1	Very high	35 Å²	35	39.4 Å²	39.4	25%	0.245	23%	0.226	C	C	.	.			trans	-65.5	114.6	172.9	-55.9	0	0	0	0	110.6	S80 E81 L108 V110	S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.42Å; S80-S83 PolarHBondContact O-N 2.85Å; S80-S83 VanDerWaalsContact O-N 3.08Å; S80-S83 PolarHBondContact O-OG 3.34Å; E81-S83 VanDerWaalsContact C-N 3.27Å; S83-L108 VanDerWaalsContact CA-O 3.27Å; S83-L108 WeakPolarHBondContact CA-O 3.5Å; S83-V110 PolarHBondContact OG-N 2.99Å
84	A	97.6	Very high	91.4	Very high	5 Å²	5	44.9 Å²	44.9	4%	0.041	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	172.5	-172.2	0	0	0	0	0	110.7	K30 Q31 R32 D82 Y86 L108	K30-A84 HydrophobicContact CD-CB 4.24Å; K30-A84 HydrophobicContact CG-CB 3.58Å; Q31-A84 WeakPolarHBondContact O-CA 3.18Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.46Å; R32-A84 HydrophobicContact CG-CB 4.25Å; D82-A84 PolarHBondContact O-N 2.88Å; A84-Y86 HydrophobicContact CB-CD2 4.34Å; A84-Y86 HydrophobicContact CB-CE2 3.77Å; A84-L108 PolarHBondContact N-O 2.91Å; A84-L108 VanDerWaalsContact N-O 3.08Å; A84-L108 PolarHBondContact O-N 3.38Å
85	V	97.9	Very high	89.3	Confident	35 Å²	35	47.5 Å²	47.5	21%	0.212	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.5	160.3	-170.9	0	0	0	0	108.4	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.87Å; Q31-V85 PolarHBondContact O-N 2.81Å; V85-Y87 HydrophobicContact CB-CE2 3.9Å; V85-Y87 HydrophobicContact CG1-CD1 4.4Å; V85-Y87 HydrophobicContact CG1-CD2 4.35Å; V85-Y87 HydrophobicContact CG1-CE1 3.73Å; V85-Y87 HydrophobicContact CG1-CE2 3.69Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.34Å
86	Y	97.9	Very high	87.3	Confident	3 Å²	3	50.8 Å²	50.8	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.1	176.5	-65.9	-94.3	0	0	0	110	M12 V29 K30 I40 M73 L75 D82 A84 G105 T106 L108	M12-Y86 HydrophobicContact CE-CD2 4.09Å; M12-Y86 HydrophobicContact CE-CG 4.1Å; M12-Y86 HydrophobicContact SD-CD2 4.04Å; M12-Y86 HydrophobicContact SD-CG 3.89Å; V29-Y86 CarbonylContact O-C 3.43Å; V29-Y86 WeakPolarHBondContact O-CA 3.32Å; K30-Y86 HydrophobicContact CB-CD1 4.07Å; K30-Y86 HydrophobicContact CB-CE1 3.85Å; K30-Y86 HydrophobicContact CD-CE1 3.88Å; K30-Y86 WeakPolarHBondContact CE-OH 3.49Å; K30-Y86 HydrophobicContact CG-CD1 4.26Å; K30-Y86 HydrophobicContact CG-CE1 3.71Å; I40-Y86 HydrophobicContact CD1-CD1 3.72Å; I40-Y86 HydrophobicContact CD1-CE1 3.84Å; M73-Y86 HydrophobicContact CE-CD1 3.61Å; M73-Y86 HydrophobicContact CE-CE1 4.2Å; M73-Y86 HydrophobicContact CE-CG 4.08Å; L75-Y86 HydrophobicContact CD1-CD1 4.29Å; L75-Y86 HydrophobicContact CD1-CE1 3.61Å; L75-Y86 HydrophobicContact CD1-CE2 4.22Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 2.92Å; D82-Y86 PolarHBondContact O-OH 3.32Å; A84-Y86 HydrophobicContact CB-CD2 4.34Å; A84-Y86 HydrophobicContact CB-CE2 3.77Å; Y86-G105 CarbonylContact O-C 3.41Å; Y86-G105 VanDerWaalsContact O-CA 3.25Å; Y86-G105 WeakPolarHBondContact O-CA 3.39Å; Y86-T106 PolarHBondContact N-O 2.96Å; Y86-T106 PolarHBondContact O-N 2.78Å; Y86-L108 HydrophobicContact CD2-CB 3.97Å; Y86-L108 HydrophobicContact CD2-CD2 4.5Å; Y86-L108 HydrophobicContact CE2-CB 3.77Å; Y86-L108 HydrophobicContact CE2-CD2 3.76Å; Y86-L108 HydrophobicContact CE2-CG 4.37Å
87	Y	97.6	Very high	85.5	Confident	45 Å²	45	54.6 Å²	54.6	18%	0.176	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	147.1	-179.8	-54.6	-87.7	0	0	0	110.1	W28 V29 Q31 V85 W102	W28-Y87 WeakPolarHBondContact CA-O 3.31Å; V29-Y87 PolarHBondContact N-O 3.31Å; V29-Y87 PolarHBondContact O-N 3.18Å; Q31-Y87 HydrophobicContact CB-CD2 4.44Å; Q31-Y87 HydrophobicContact CB-CE2 3.74Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.31Å; Q31-Y87 PolarHBondContact OE1-OH 2.88Å; V85-Y87 HydrophobicContact CB-CE2 3.9Å; V85-Y87 HydrophobicContact CG1-CD1 4.4Å; V85-Y87 HydrophobicContact CG1-CD2 4.35Å; V85-Y87 HydrophobicContact CG1-CE1 3.73Å; V85-Y87 HydrophobicContact CG1-CE2 3.69Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.34Å; Y87-W102 HydrophobicContact CD1-CE3 4.5Å; Y87-W102 HydrophobicContact CD2-CZ3 4.43Å; Y87-W102 HydrophobicContact CG-CE3 4.04Å; Y87-W102 HydrophobicContact CG-CZ3 4.21Å
88	C	96.3	Very high	84	Confident	16 Å²	16	60 Å²	60	11%	0.108	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	145.3	158.3	62.5	0	0	0	0	109.3	C14 M26 H27 W28 G103	C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.35Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.18Å; M26-C88 HydrophobicContact CG-CB 4.39Å; M26-C88 HydrophobicContact SD-CB 3.72Å; H27-C88 CarbonylContact O-C 3.53Å; H27-C88 VanDerWaalsContact O-CA 3.23Å; H27-C88 WeakPolarHBondContact O-CA 2.97Å; W28-C88 HydrophobicContact CD2-CB 4.47Å; W28-C88 HydrophobicContact CE3-CB 4.3Å; W28-C88 HydrophobicContact CH2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.27Å; C88-G103 PolarHBondContact O-N 2.59Å
89	A	94.7	Very high	82.9	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.008	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	140.6	175.1	0	0	0	0	0	109.6	H27 F99 Y101 W102	H27-A89 PolarHBondContact N-O 2.85Å; H27-A89 PolarHBondContact O-N 2.78Å; A89-F99 HydrophobicContact CB-CB 4.12Å; A89-F99 HydrophobicContact CB-CD1 3.76Å; A89-F99 HydrophobicContact CB-CE1 4.4Å; A89-F99 HydrophobicContact CB-CG 3.92Å; A89-Y101 CarbonylContact C-O 3.53Å; A89-Y101 VanDerWaalsContact CA-O 3.22Å; A89-Y101 WeakPolarHBondContact CA-O 3.39Å; A89-W102 HydrophobicContact CB-CD2 3.74Å; A89-W102 HydrophobicContact CB-CE3 4.03Å; A89-W102 HydrophobicContact CB-CG 4.13Å; A89-W102 HydrophobicContact CB-CH2 4.45Å; A89-W102 HydrophobicContact CB-CZ2 4.21Å; A89-W102 HydrophobicContact CB-CZ3 4.38Å
90	R	90.7	Very high	81.9	Confident	48 Å²	48	64.4 Å²	64.4	18%	0.181	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	151.2	176	87.1	-172.9	-177.8	-166.2	-5.2	110.4	Y19 Y24 W25 F99 D100 Y101	Y19-R90 VanDerWaalsContact CE1-NH1 3.29Å; Y24-R90 HydrophobicContact CD1-CG 4.19Å; W25-R90 WeakPolarHBondContact O-CA 3.32Å; R90-F99 WeakPolarHBondContact O-CA 3.46Å; R90-D100 WeakPolarHBondContact CG-OD1 3.48Å; R90-D100 IonicContact CZ-OD2 2.75Å; R90-D100 IonicContact NE-OD1 2.64Å; R90-D100 PolarHBondContact NE-OD1 2.92Å; R90-D100 IonicContact NE-OD2 3.5Å; R90-D100 PolarHBondContact NE-OD2 2.99Å; R90-D100 IonicContact NH2-OD2 3.19Å; R90-D100 PolarHBondContact NH2-OD2 3.08Å; R90-D100 PolarHBondContact O-N 3.28Å; R90-Y101 PolarHBondContact N-O 3.29Å
91	K	85	Confident	81.5	Confident	49 Å²	49	66 Å²	66	21%	0.213	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	132.3	172	-175.3	-175.8	175.2	-174.6	0	109.8	Y24 W25 F99	Y24-K91 WeakPolarHBondContact CA-O 3.44Å; W25-K91 PolarHBondContact N-O 3.24Å; W25-K91 PolarHBondContact O-N 3.41Å; K91-F99 HydrophobicContact CB-CD1 4.19Å; K91-F99 HydrophobicContact CB-CE1 4.27Å
92	G	72.1	Confident	81.4	Confident	20 Å²	20	63.5 Å²	63.5	21%	0.206	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	148.8	177.5	0	0	0	0	0	113.2
93	V	64.7	Low	81.3	Confident	84 Å²	84	63.8 Å²	63.8	51%	0.509	34%	0.338	S	S	.	.	S	Bend	trans	-81.9	-17.1	179.1	179.5	0	0	0	0	112.3	S23	S23-V93 WeakPolarHBondContact O-CG2 3.45Å
94	T	61.9	Low	81.1	Confident	114 Å²	114	70.5 Å²	70.5	70%	0.699	37%	0.365	S	S	*	.	S	Bend	trans	-118.2	115.5	179.9	46.9	0	0	0	0	112.7	A96	T94-A96 VanDerWaalsContact C-N 3.28Å; T94-A96 PolarHBondContact O-N 3.41Å
95	V	53.4	Low	81	Confident	140 Å²	140	71.5 Å²	71.5	85%	0.848	38%	0.376	S	S	*	.	S	Bend	trans	49.5	-9	158.5	-113.5	0	0	0	0	122.2
96	A	56	Low	81	Confident	70 Å²	70	72.5 Å²	72.5	58%	0.579	38%	0.382	S	S	*	.			trans	-104.7	98.2	170.5	0	0	0	0	0	110.3	T94 Y98	T94-A96 VanDerWaalsContact C-N 3.28Å; T94-A96 PolarHBondContact O-N 3.41Å; A96-Y98 VanDerWaalsContact C-N 3.26Å; A96-Y98 PolarHBondContact O-N 3.45Å
97	N	59.3	Low	80.9	Confident	114 Å²	114	75.4 Å²	75.4	61%	0.61	40%	0.4	S	S	*	.			trans	-74.7	18	-162.6	-73.9	-50.8	0	0	0	117.4
98	Y	64	Low	80.9	Confident	189 Å²	189	73.3 Å²	73.3	74%	0.741	39%	0.392	S	S	*	.	S	Bend	trans	-112.3	154.7	-170.9	-59.2	-74.2	0	0	0	113.1	A96 D100	A96-Y98 VanDerWaalsContact C-N 3.26Å; A96-Y98 PolarHBondContact O-N 3.45Å; Y98-D100 PolarHBondContact O-N 3.1Å
99	F	73	Confident	80.9	Confident	74 Å²	74	75.4 Å²	75.4	33%	0.325	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	94.7	165.7	-67	-49.5	0	0	0	108.9	H27 A89 R90 K91 Y101 W102	H27-F99 HydrophobicContact CB-CD1 4.41Å; H27-F99 HydrophobicContact CB-CE1 3.55Å; H27-F99 HydrophobicContact CB-CZ 3.92Å; H27-F99 AromaticContact CD2-CE1 3.52Å; H27-F99 AromaticContact CE1-CE1 3.88Å; H27-F99 AromaticContact CG-CE1 3.25Å; H27-F99 AromaticContact CG-CZ 3.74Å; H27-F99 AromaticContact ND1-CE1 3.47Å; H27-F99 WeakPolarHBondContact ND1-CE1 3.33Å; H27-F99 AromaticContact ND1-CZ 3.58Å; H27-F99 AromaticContact NE2-CE1 3.9Å; A89-F99 HydrophobicContact CB-CB 4.12Å; A89-F99 HydrophobicContact CB-CD1 3.76Å; A89-F99 HydrophobicContact CB-CE1 4.4Å; A89-F99 HydrophobicContact CB-CG 3.92Å; R90-F99 WeakPolarHBondContact O-CA 3.46Å; K91-F99 HydrophobicContact CB-CD1 4.19Å; K91-F99 HydrophobicContact CB-CE1 4.27Å; F99-Y101 VanDerWaalsContact C-N 3.34Å; F99-W102 HydrophobicContact CB-CZ2 4.04Å; F99-W102 VanDerWaalsContact CB-NE1 3.32Å; F99-W102 HydrophobicContact CD2-CH2 4.33Å; F99-W102 AromaticContact CD2-CZ2 3.56Å; F99-W102 HydrophobicContact CD2-CZ2 3.56Å; F99-W102 HydrophobicContact CE2-CZ2 4.31Å; F99-W102 HydrophobicContact CG-CZ2 4.01Å
100	D	75.5	Confident	81	Confident	80 Å²	80	75.7 Å²	75.7	43%	0.428	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-21.6	-173	63.5	-49.2	0	0	0	112.7	R90 Y98	R90-D100 WeakPolarHBondContact CG-OD1 3.48Å; R90-D100 IonicContact CZ-OD2 2.75Å; R90-D100 IonicContact NE-OD1 2.64Å; R90-D100 PolarHBondContact NE-OD1 2.92Å; R90-D100 IonicContact NE-OD2 3.5Å; R90-D100 PolarHBondContact NE-OD2 2.99Å; R90-D100 IonicContact NH2-OD2 3.19Å; R90-D100 PolarHBondContact NH2-OD2 3.08Å; R90-D100 PolarHBondContact O-N 3.28Å; Y98-D100 PolarHBondContact O-N 3.1Å
101	Y	86.2	Confident	81.2	Confident	119 Å²	119	76.1 Å²	76.1	47%	0.467	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	139.3	175.6	-173.5	-94.9	0	0	0	112.4	A89 R90 F99	A89-Y101 CarbonylContact C-O 3.53Å; A89-Y101 VanDerWaalsContact CA-O 3.22Å; A89-Y101 WeakPolarHBondContact CA-O 3.39Å; R90-Y101 PolarHBondContact N-O 3.29Å; F99-Y101 VanDerWaalsContact C-N 3.34Å
102	W	93	Very high	81.2	Confident	82 Å²	82	81 Å²	81	31%	0.311	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	139.6	176.8	-70	72	0	0	0	110.6	V29 L37 Y87 A89 F99	V29-W102 HydrophobicContact CB-CH2 4.09Å; V29-W102 HydrophobicContact CB-CZ3 3.83Å; V29-W102 HydrophobicContact CG1-CH2 4.05Å; V29-W102 HydrophobicContact CG1-CZ3 4.03Å; V29-W102 HydrophobicContact CG2-CH2 3.74Å; V29-W102 HydrophobicContact CG2-CZ3 3.87Å; L37-W102 HydrophobicContact CD1-CH2 3.85Å; L37-W102 HydrophobicContact CD1-CZ2 4.41Å; L37-W102 HydrophobicContact CD1-CZ3 4.44Å; Y87-W102 HydrophobicContact CD1-CE3 4.5Å; Y87-W102 HydrophobicContact CD2-CZ3 4.43Å; Y87-W102 HydrophobicContact CG-CE3 4.04Å; Y87-W102 HydrophobicContact CG-CZ3 4.21Å; A89-W102 HydrophobicContact CB-CD2 3.74Å; A89-W102 HydrophobicContact CB-CE3 4.03Å; A89-W102 HydrophobicContact CB-CG 4.13Å; A89-W102 HydrophobicContact CB-CH2 4.45Å; A89-W102 HydrophobicContact CB-CZ2 4.21Å; A89-W102 HydrophobicContact CB-CZ3 4.38Å; F99-W102 HydrophobicContact CB-CZ2 4.04Å; F99-W102 VanDerWaalsContact CB-NE1 3.32Å; F99-W102 HydrophobicContact CD2-CH2 4.33Å; F99-W102 AromaticContact CD2-CZ2 3.56Å; F99-W102 HydrophobicContact CD2-CZ2 3.56Å; F99-W102 HydrophobicContact CE2-CZ2 4.31Å; F99-W102 HydrophobicContact CG-CZ2 4.01Å
103	G	93.1	Very high	81.6	Confident	17 Å²	17	84.1 Å²	84.1	18%	0.175	47%	0.47	C	S	.	.			trans	-67.3	161.4	165.8	0	0	0	0	0	111.5	C88 G105	C88-G103 PolarHBondContact O-N 2.59Å; G103-G105 PolarHBondContact O-N 3.28Å
104	Q	94.2	Very high	82.5	Confident	176 Å²	176	84.1 Å²	84.1	82%	0.822	47%	0.468	S	S	*	.			trans	-62.2	-14.5	179.3	-64.4	-62.8	-42	0	0	113.9
105	G	95.1	Very high	83.6	Confident	26 Å²	26	82.4 Å²	82.4	27%	0.268	46%	0.455	S	S	.	.			trans	83.6	152.4	-176.4	0	0	0	0	0	112.5	Y86 G103	Y86-G105 CarbonylContact O-C 3.41Å; Y86-G105 VanDerWaalsContact O-CA 3.25Å; Y86-G105 WeakPolarHBondContact O-CA 3.39Å; G103-G105 PolarHBondContact O-N 3.28Å
106	T	96.4	Very high	85.4	Confident	55 Å²	55	79.1 Å²	79.1	34%	0.337	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	119.2	174.7	-64.3	0	0	0	0	108.6	M12 Y86 L108	M12-T106 HydrophobicContact CE-CG2 3.45Å; M12-T106 VanDerWaalsContact CE-CG2 3.45Å; Y86-T106 PolarHBondContact N-O 2.96Å; Y86-T106 PolarHBondContact O-N 2.78Å; T106-L108 PolarHBondContact O-N 3.11Å
107	T	97.3	Very high	87.3	Confident	64 Å²	64	79.6 Å²	79.6	39%	0.393	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	124.5	171.8	-48.2	0	0	0	0	109.8	A1 E2	A1-T107 CarbonylContact C-O 3.52Å; A1-T107 WeakPolarHBondContact CA-O 3.31Å; E2-T107 PolarHBondContact N-O 3.47Å
108	L	97.1	Very high	89.1	Confident	1 Å²	1	77.3 Å²	77.3	1%	0.005	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.1	167.5	173	65.9	0	0	0	108.1	E2 A4 V10 L75 L78 S83 A84 Y86 T106 V110	E2-L108 HydrophobicContact CB-CD1 3.85Å; E2-L108 HydrophobicContact CG-CD1 4.08Å; E2-L108 WeakPolarHBondContact O-CA 3.21Å; A4-L108 HydrophobicContact CB-CD1 4.1Å; V10-L108 HydrophobicContact CB-CD1 4.5Å; V10-L108 HydrophobicContact CG1-CD1 4.18Å; V10-L108 HydrophobicContact CG1-CD2 3.89Å; V10-L108 HydrophobicContact CG2-CD1 4.49Å; L75-L108 HydrophobicContact CD1-CD2 4.13Å; L78-L108 HydrophobicContact CD1-CD2 4.39Å; L78-L108 HydrophobicContact CD2-CD2 3.92Å; S83-L108 VanDerWaalsContact CA-O 3.27Å; S83-L108 WeakPolarHBondContact CA-O 3.5Å; A84-L108 PolarHBondContact N-O 2.91Å; A84-L108 VanDerWaalsContact N-O 3.08Å; A84-L108 PolarHBondContact O-N 3.38Å; Y86-L108 HydrophobicContact CD2-CB 3.97Å; Y86-L108 HydrophobicContact CD2-CD2 4.5Å; Y86-L108 HydrophobicContact CE2-CB 3.77Å; Y86-L108 HydrophobicContact CE2-CD2 3.76Å; Y86-L108 HydrophobicContact CE2-CG 4.37Å; T106-L108 PolarHBondContact O-N 3.11Å; L108-V110 HydrophobicContact CD1-CG2 4.45Å; L108-V110 HydrophobicContact CD2-CG2 4.26Å; L108-V110 HydrophobicContact CG-CG2 4.1Å
109	T	97.2	Very high	90.9	Very high	60 Å²	60	69.4 Å²	69.4	37%	0.368	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126.9	172.2	-55.6	0	0	0	0	108.8	E2 L3 A4	E2-T109 PolarHBondContact O-N 2.75Å; L3-T109 HydrophobicContact CD1-CG2 4.05Å; A4-T109 PolarHBondContact N-O 2.65Å
110	V	96.4	Very high	92.3	Very high	7 Å²	7	69 Å²	69	4%	0.042	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	106.8	176.8	-172.2	0	0	0	0	109.1	A4 P6 L78 T79 D82 S83 L108	A4-V110 VanDerWaalsContact O-CA 3.3Å; A4-V110 WeakPolarHBondContact O-CA 3.29Å; P6-V110 HydrophobicContact CG-CG1 4.18Å; L78-V110 HydrophobicContact CB-CG1 4.08Å; L78-V110 HydrophobicContact CB-CG2 4.07Å; L78-V110 HydrophobicContact CD1-CG2 4.22Å; L78-V110 HydrophobicContact CD2-CG2 4.42Å; L78-V110 HydrophobicContact CG-CG2 4.48Å; T79-V110 WeakPolarHBondContact O-CB 2.85Å; T79-V110 WeakPolarHBondContact O-CG1 3.41Å; D82-V110 HydrophobicContact CB-CG2 4.19Å; S83-V110 PolarHBondContact OG-N 2.99Å; L108-V110 HydrophobicContact CD1-CG2 4.45Å; L108-V110 HydrophobicContact CD2-CG2 4.26Å; L108-V110 HydrophobicContact CG-CG2 4.1Å
111	S	93.7	Very high	93.7	Very high	58 Å²	58	68.1 Å²	68.1	41%	0.406	39%	0.388	S	S	.	.			trans	-143.3	151	-178	61.7	0	0	0	0	111.4	A4	A4-S111 PolarHBondContact O-N 2.9Å; A4-S111 VanDerWaalsContact O-N 3.12Å
112	S	84.6	Confident	94.4	Very high	152 Å²	152	63.5 Å²	63.5	100%	1.063	38%	0.381	S	S	*	.			trans	-74.7	0	175.2	56.1	0	0	0	0	112.5

Retrieved 112 of 112 residues in 46 ms (Link to these results)

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