X5J4N0_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4N0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 108 aa.

						>X5J4N0_MOUSE|X5J4N0
AELVMPGASVKLSCKASGYTFTSYWMHWVKQRPGQGLEWIGEIDPSDSYTNYNQKFKGKSTLTVDKSSSTAYMQLSSLTSEDSAVYYCARSQYYFDYWGQGTTLTVSS
					

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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	75	Confident	92.3	Very high	118 Å²	118	74.8 Å²	74.8	98%	0.975	46%	0.461	S	S	*	.				0	140.4	0	0	0	0	0	0	108	T103	A1-T103 CarbonylContact C-O 3.46Å; A1-T103 WeakPolarHBondContact CA-O 3.28Å
2	E	85.4	Confident	92.7	Very high	79 Å²	79	69.2 Å²	69.2	37%	0.369	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.3	-176.3	-165.3	173.3	167.1	0	0	109.7	V4 V10 T103 L104 T105	E2-V4 HydrophobicContact CG-CG1 3.91Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.44Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.3Å; E2-T103 PolarHBondContact N-O 3.24Å; E2-L104 HydrophobicContact CB-CD1 4.03Å; E2-L104 HydrophobicContact CG-CD1 4.42Å; E2-T105 PolarHBondContact O-N 3.39Å
3	L	92.4	Very high	93	Very high	128 Å²	128	69.5 Å²	69.5	67%	0.67	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.6	176.1	177.4	65	0	0	0	108.4	T105	L3-T105 WeakPolarHBondContact CA-O 3.32Å; L3-T105 HydrophobicContact CD1-CG2 3.84Å
4	V	94.4	Very high	93.2	Very high	18 Å²	18	65.6 Å²	65.6	11%	0.109	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	155.6	-175.3	-59.3	0	0	0	0	111.4	E2 A8 L78 L104 T105 V106 S107	E2-V4 HydrophobicContact CG-CG1 3.91Å; V4-A8 HydrophobicContact CB-CB 4.42Å; V4-L78 HydrophobicContact CB-CD1 4.48Å; V4-L78 HydrophobicContact CG2-CD1 3.56Å; V4-L104 HydrophobicContact CG1-CD1 4.12Å; V4-L104 HydrophobicContact CG2-CD1 3.9Å; V4-T105 PolarHBondContact N-O 2.68Å; V4-V106 HydrophobicContact CG2-CB 4.3Å; V4-V106 HydrophobicContact CG2-CG1 4.36Å; V4-V106 HydrophobicContact CG2-CG2 3.81Å; V4-V106 CarbonylContact O-C 3.5Å; V4-V106 WeakPolarHBondContact O-CA 3.41Å; V4-S107 PolarHBondContact O-N 3.47Å; V4-S107 PolarHBondContact O-OG 2.63Å
5	M	94.1	Very high	93.4	Very high	136 Å²	136	71.7 Å²	71.7	67%	0.67	43%	0.426	S	S	*	.			trans	-81	152.3	175.4	-65	-66.1	-173.6	0	0	111.3	A8 S107	M5-A8 WeakPolarHBondContact O-CB 3.25Å; M5-A8 PolarHBondContact O-N 3.02Å; M5-S107 PolarHBondContact SD-OG 2.96Å
6	P	95.1	Very high	93.4	Very high	67 Å²	67	67.9 Å²	67.9	44%	0.435	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	142.3	168.2	-28.7	35.7	0	0	0	112.6	A8 L78 V106 S107	P6-A8 PolarHBondContact O-N 3.27Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.45Å; P6-V106 HydrophobicContact CG-CG1 4.22Å; P6-S107 VanDerWaalsContact CD-O 3.29Å; P6-S107 WeakPolarHBondContact CD-O 3.49Å; P6-S107 WeakPolarHBondContact CD-OG 3.41Å; P6-S107 WeakPolarHBondContact CG-O 3.49Å
7	G	93.9	Very high	93.2	Very high	52 Å²	52	69.6 Å²	69.6	54%	0.536	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	-10.7	-178.7	0	0	0	0	0	114.7	L78	G7-L78 PolarHBondContact N-O 2.93Å
8	A	95.3	Very high	93	Very high	35 Å²	35	70.8 Å²	70.8	29%	0.289	45%	0.451	S	S	.	.			trans	-67.6	165.1	174.7	0	0	0	0	0	112	V4 M5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.42Å; M5-A8 WeakPolarHBondContact O-CB 3.25Å; M5-A8 PolarHBondContact O-N 3.02Å; P6-A8 PolarHBondContact O-N 3.27Å; A8-S77 PolarHBondContact O-N 2.91Å; A8-L78 WeakPolarHBondContact O-CB 3.38Å; A8-L78 VanDerWaalsContact O-CG 3.28Å; A8-L78 WeakPolarHBondContact O-CG 3.15Å; A8-L78 PolarHBondContact O-N 2.92Å
9	S	96	Very high	92.7	Very high	67 Å²	67	69.8 Å²	69.8	47%	0.469	44%	0.438	S	S	.	.			trans	-118.3	141.1	170.6	-58.1	0	0	0	0	109.7	L75 S76	S9-L75 CarbonylContact C-O 3.53Å; S9-L75 WeakPolarHBondContact CA-O 3.41Å; S9-L75 WeakPolarHBondContact CB-O 3.5Å; S9-S76 WeakPolarHBondContact OG-CA 3.27Å
10	V	96.2	Very high	92.7	Very high	5 Å²	5	70.8 Å²	70.8	3%	0.03	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	146.5	178.6	67.3	0	0	0	0	110.4	E2 L12 Q74 L75 L78 L104	E2-V10 WeakPolarHBondContact OE1-CG2 3.44Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.3Å; V10-L12 HydrophobicContact CG2-CD2 4.08Å; V10-Q74 CarbonylContact O-C 3.4Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.35Å; V10-L75 HydrophobicContact CG1-CB 3.97Å; V10-L75 HydrophobicContact CG1-CD1 4.21Å; V10-L75 PolarHBondContact N-O 2.89Å; V10-L75 PolarHBondContact O-N 2.8Å; V10-L78 HydrophobicContact CB-CD1 4.11Å; V10-L78 HydrophobicContact CG1-CD1 3.77Å; V10-L104 HydrophobicContact CB-CD1 4.49Å; V10-L104 HydrophobicContact CG1-CD1 4.17Å; V10-L104 HydrophobicContact CG1-CD2 3.84Å; V10-L104 HydrophobicContact CG2-CD1 4.36Å
11	K	97	Very high	92.7	Very high	118 Å²	118	67.7 Å²	67.7	51%	0.513	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	107.1	173.8	-171.9	177.3	-179.2	-178.1	0	109.9	Y72	K11-Y72 HydrophobicContact CD-CD1 4.28Å; K11-Y72 VanDerWaalsContact CE-CB 3.44Å; K11-Y72 VanDerWaalsContact CE-CD1 3.42Å; K11-Y72 HydrophobicContact CG-CD1 4.25Å
12	L	97.1	Very high	93.7	Very high	7 Å²	7	64.8 Å²	64.8	4%	0.037	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	147	173.9	-57.5	-179.4	0	0	0	109.9	V10 W28 Y72 M73 L75 Y86 T102	V10-L12 HydrophobicContact CG2-CD2 4.08Å; L12-W28 HydrophobicContact CB-CH2 4.08Å; L12-W28 HydrophobicContact CB-CZ3 3.95Å; L12-Y72 CarbonylContact O-C 3.6Å; L12-Y72 WeakPolarHBondContact O-CA 3.46Å; L12-M73 HydrophobicContact CD1-CE 3.73Å; L12-M73 PolarHBondContact N-O 2.79Å; L12-M73 PolarHBondContact O-N 2.03Å; L12-L75 HydrophobicContact CD1-CD1 4.47Å; L12-Y86 HydrophobicContact CD1-CD1 4.37Å; L12-Y86 HydrophobicContact CD1-CD2 4.09Å; L12-Y86 HydrophobicContact CD1-CG 3.75Å; L12-T102 HydrophobicContact CD2-CG2 3.99Å
13	S	96.9	Very high	94	Very high	73 Å²	73	64.1 Å²	64.1	51%	0.51	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.1	179.6	66.5	0	0	0	0	111.3	A71 Y72	S13-A71 CarbonylContact C-O 3.59Å; S13-A71 WeakPolarHBondContact CA-O 3.5Å; S13-Y72 VanDerWaalsContact CB-CD1 3.46Å; S13-Y72 VanDerWaalsContact CB-CE1 3.42Å
14	C	96.4	Very high	94	Very high	15 Å²	15	60.3 Å²	60.3	10%	0.101	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	105.7	175	-179.1	0	0	0	0	108.9	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.81Å; C14-W28 HydrophobicContact CB-CZ2 3.95Å; C14-T70 WeakPolarHBondContact O-CA 3.41Å; C14-A71 PolarHBondContact N-O 2.98Å; C14-A71 PolarHBondContact O-N 3.13Å; C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 2.91Å; C14-C88 WeakPolarHBondContact SG-CB 3.4Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.64Å
15	K	95.8	Very high	94	Very high	157 Å²	157	63 Å²	63	68%	0.683	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.8	-179.2	-173.9	172.3	-177.2	178	0	110.4	T70	K15-T70 HydrophobicContact CB-CG2 4.43Å
16	A	92.7	Very high	94.2	Very high	11 Å²	11	56.7 Å²	56.7	9%	0.091	35%	0.351	C	S	.	.			trans	-75	146.9	174.2	0	0	0	0	0	111.3	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.9Å; A16-Y19 HydrophobicContact CB-CE2 4.01Å; A16-Y19 VanDerWaalsContact CB-CZ 3.45Å; A16-Y19 VanDerWaalsContact CB-OH 3.24Å; A16-Y19 WeakPolarHBondContact CB-OH 3.29Å; A16-F21 HydrophobicContact CB-CB 4.07Å; A16-F21 HydrophobicContact CB-CD2 3.39Å; A16-F21 HydrophobicContact CB-CE2 4.1Å; A16-F21 HydrophobicContact CB-CG 3.99Å; A16-S69 WeakPolarHBondContact CB-O 3.44Å; A16-S69 PolarHBondContact N-O 2.97Å
17	S	90.4	Very high	94.2	Very high	98 Å²	98	54 Å²	54	69%	0.685	33%	0.333	S	S	*	.			trans	-149.4	144.5	174.2	61	0	0	0	0	110.2	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.32Å; S17-Y19 WeakPolarHBondContact O-CE1 3.31Å; S17-Y19 PolarHBondContact O-N 3.25Å
18	G	89.5	Confident	94.4	Very high	91 Å²	91	51.8 Å²	51.8	94%	0.938	31%	0.309	S	S	*	.	S	Bend	trans	78.1	12.6	175.8	0	0	0	0	0	116.1
19	Y	88.1	Confident	94.5	Very high	52 Å²	52	50.3 Å²	50.3	20%	0.204	30%	0.296	C	S	.	.	S	Bend	trans	-157.3	166.1	174.8	63.4	-85.9	0	0	0	111.9	A16 S17 F21 Y24 R90	A16-Y19 HydrophobicContact CB-CE1 3.9Å; A16-Y19 HydrophobicContact CB-CE2 4.01Å; A16-Y19 VanDerWaalsContact CB-CZ 3.45Å; A16-Y19 VanDerWaalsContact CB-OH 3.24Å; A16-Y19 WeakPolarHBondContact CB-OH 3.29Å; S17-Y19 WeakPolarHBondContact O-CD1 3.32Å; S17-Y19 WeakPolarHBondContact O-CE1 3.31Å; S17-Y19 PolarHBondContact O-N 3.25Å; Y19-F21 HydrophobicContact CE2-CD2 4.47Å; Y19-F21 PolarHBondContact O-N 3.45Å; Y19-F21 VanDerWaalsContact O-N 3.16Å; Y19-Y24 AromaticContact CD2-CD2 3.42Å; Y19-Y24 HydrophobicContact CD2-CD2 3.42Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.42Å; Y19-Y24 AromaticContact CD2-CE2 3.76Å; Y19-Y24 HydrophobicContact CD2-CE2 3.76Å; Y19-Y24 HydrophobicContact CD2-CG 4.34Å; Y19-Y24 AromaticContact CE2-CD2 3.82Å; Y19-Y24 HydrophobicContact CE2-CD2 3.82Å; Y19-Y24 HydrophobicContact CE2-CG 4.37Å; Y19-Y24 HydrophobicContact CG-CD2 4.35Å; Y19-Y24 HydrophobicContact CG-CE2 4.3Å; Y19-R90 VanDerWaalsContact CD1-NH1 3.28Å; Y19-R90 HydrophobicContact CE2-CG 4.24Å; Y19-R90 VanDerWaalsContact CZ-CD 3.47Å
20	T	92.7	Very high	94.6	Very high	89 Å²	89	47.2 Å²	47.2	55%	0.546	27%	0.274	S	S	.	.			trans	-70.9	104.5	172.2	-55.1	0	0	0	0	109.7	T22 S23	T20-T22 PolarHBondContact O-N 3.13Å; T20-T22 VanDerWaalsContact O-N 3.14Å; T20-S23 WeakPolarHBondContact CB-OG 3.41Å; T20-S23 WeakPolarHBondContact CG2-OG 3.34Å; T20-S23 WeakPolarHBondContact O-CB 3.06Å; T20-S23 PolarHBondContact O-N 3.39Å
21	F	93.1	Very high	94.6	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.026	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-54.1	-36.4	-173.3	177.5	-127.1	0	0	0	113.9	A16 Y19 S23 M26 P45 V64 A71	A16-F21 HydrophobicContact CB-CB 4.07Å; A16-F21 HydrophobicContact CB-CD2 3.39Å; A16-F21 HydrophobicContact CB-CE2 4.1Å; A16-F21 HydrophobicContact CB-CG 3.99Å; Y19-F21 HydrophobicContact CE2-CD2 4.47Å; Y19-F21 PolarHBondContact O-N 3.45Å; Y19-F21 VanDerWaalsContact O-N 3.16Å; F21-S23 PolarHBondContact O-N 2.78Å; F21-M26 HydrophobicContact CE2-CE 4.04Å; F21-P45 HydrophobicContact CD1-CB 3.85Å; F21-P45 HydrophobicContact CD1-CG 4.48Å; F21-P45 HydrophobicContact CD2-CB 4.45Å; F21-P45 HydrophobicContact CD2-CG 4.23Å; F21-P45 HydrophobicContact CE1-CB 3.57Å; F21-P45 HydrophobicContact CE1-CG 4.12Å; F21-P45 HydrophobicContact CE2-CB 4.19Å; F21-P45 HydrophobicContact CE2-CG 3.82Å; F21-P45 HydrophobicContact CG-CB 4.31Å; F21-P45 HydrophobicContact CZ-CB 3.75Å; F21-P45 HydrophobicContact CZ-CG 3.77Å; F21-V64 HydrophobicContact CE1-CB 4.26Å; F21-V64 HydrophobicContact CE1-CG1 4.29Å; F21-V64 HydrophobicContact CZ-CB 4.44Å; F21-V64 HydrophobicContact CZ-CG1 4.02Å; F21-A71 HydrophobicContact CE2-CB 4.37Å; F21-A71 HydrophobicContact CZ-CB 3.99Å
22	T	94.4	Very high	94.5	Very high	57 Å²	57	47.2 Å²	47.2	35%	0.35	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-77.9	0.2	-179.4	58	0	0	0	0	114.6	T20 K66	T20-T22 PolarHBondContact O-N 3.13Å; T20-T22 VanDerWaalsContact O-N 3.14Å; T22-K66 HydrophobicContact CG2-CG 4.49Å
23	S	92.7	Very high	94.2	Very high	64 Å²	64	52.5 Å²	52.5	45%	0.448	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-94.1	-1.7	179.8	-60.4	0	0	0	0	113.6	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.41Å; T20-S23 WeakPolarHBondContact CG2-OG 3.34Å; T20-S23 WeakPolarHBondContact O-CB 3.06Å; T20-S23 PolarHBondContact O-N 3.39Å; F21-S23 PolarHBondContact O-N 2.78Å
24	Y	92.4	Very high	93.9	Very high	49 Å²	49	53.6 Å²	53.6	19%	0.192	33%	0.33	C	S	.	.	S	Bend	trans	-140	146	-171.9	-63.4	-89.3	0	0	0	111.4	Y19 P45 R90 Q92	Y19-Y24 AromaticContact CD2-CD2 3.42Å; Y19-Y24 HydrophobicContact CD2-CD2 3.42Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.42Å; Y19-Y24 AromaticContact CD2-CE2 3.76Å; Y19-Y24 HydrophobicContact CD2-CE2 3.76Å; Y19-Y24 HydrophobicContact CD2-CG 4.34Å; Y19-Y24 AromaticContact CE2-CD2 3.82Å; Y19-Y24 HydrophobicContact CE2-CD2 3.82Å; Y19-Y24 HydrophobicContact CE2-CG 4.37Å; Y19-Y24 HydrophobicContact CG-CD2 4.35Å; Y19-Y24 HydrophobicContact CG-CE2 4.3Å; Y24-P45 WeakPolarHBondContact O-CD 3.47Å; Y24-P45 WeakPolarHBondContact O-CG 3.03Å; Y24-R90 VanDerWaalsContact CB-CG 3.47Å; Y24-R90 HydrophobicContact CD1-CG 3.81Å; Y24-R90 HydrophobicContact CD2-CG 4.47Å; Y24-R90 HydrophobicContact CG-CG 3.67Å; Y24-Q92 HydrophobicContact CD1-CB 3.73Å; Y24-Q92 HydrophobicContact CD1-CG 4.29Å; Y24-Q92 HydrophobicContact CE1-CB 3.73Å; Y24-Q92 HydrophobicContact CE1-CG 4.17Å
25	W	95.1	Very high	93.8	Very high	73 Å²	73	57.6 Å²	57.6	28%	0.277	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	141.6	171.1	-72.1	61.7	0	0	0	109.9	E42 D44 Y49 R90 S91	W25-E42 HydrophobicContact CE3-CB 3.98Å; W25-E42 VanDerWaalsContact CE3-CD 3.46Å; W25-E42 HydrophobicContact CE3-CG 3.48Å; W25-E42 VanDerWaalsContact CE3-CG 3.48Å; W25-E42 HydrophobicContact CZ3-CG 3.59Å; W25-D44 HydrophobicContact CD2-CB 4Å; W25-D44 HydrophobicContact CE3-CB 4.23Å; W25-D44 HydrophobicContact CH2-CB 4.19Å; W25-D44 HydrophobicContact CZ2-CB 3.88Å; W25-D44 HydrophobicContact CZ3-CB 4.33Å; W25-D44 PolarHBondContact NE1-OD2 3.07Å; W25-Y49 AromaticContact CH2-CD1 3.45Å; W25-Y49 HydrophobicContact CH2-CD1 3.45Å; W25-Y49 VanDerWaalsContact CH2-CD1 3.45Å; W25-Y49 AromaticContact CH2-CE1 3.87Å; W25-Y49 HydrophobicContact CH2-CE1 3.87Å; W25-Y49 HydrophobicContact CZ2-CD1 4.5Å; W25-Y49 AromaticContact CZ3-CD1 3.88Å; W25-Y49 HydrophobicContact CZ3-CD1 3.88Å; W25-Y49 HydrophobicContact CZ3-CE1 4.28Å; W25-R90 WeakPolarHBondContact O-CA 3.35Å; W25-S91 PolarHBondContact N-O 2.9Å; W25-S91 PolarHBondContact O-N 2.84Å
26	M	96.5	Very high	93.6	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.02	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.8	173	-173.1	61.6	65.7	0	0	109.7	F21 E42 I43 A71 C88	F21-M26 HydrophobicContact CE2-CE 4.04Å; M26-E42 CarbonylContact O-C 3.53Å; M26-E42 VanDerWaalsContact O-CA 3.23Å; M26-E42 WeakPolarHBondContact O-CA 3.23Å; M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 2.81Å; M26-I43 PolarHBondContact O-N 2.6Å; M26-A71 HydrophobicContact CB-CB 4.11Å; M26-A71 HydrophobicContact CG-CB 3.58Å; M26-C88 HydrophobicContact SD-CB 3.75Å
27	H	96.9	Very high	93.7	Very high	12 Å²	12	56.9 Å²	56.9	6%	0.056	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	151.7	-179.9	-54.8	-117.7	0	0	0	110.9	W39 G41 E42 C88 A89 S91 F95	H27-W39 AromaticContact CG-NE1 3.98Å; H27-W39 AromaticContact ND1-NE1 3.38Å; H27-W39 PolarHBondContact ND1-NE1 2.91Å; H27-G41 WeakPolarHBondContact CA-O 3.05Å; H27-E42 HydrophobicContact CB-CB 4.36Å; H27-E42 IonicContact CE1-OE2 3.13Å; H27-E42 PolarHBondContact CE1-OE2 3.41Å; H27-E42 WeakPolarHBondContact ND1-CB 3.46Å; H27-E42 IonicContact ND1-OE2 3.58Å; H27-E42 PolarHBondContact ND1-OE2 2.88Å; H27-E42 IonicContact NE2-OE2 3.45Å; H27-C88 CarbonylContact O-C 3.52Å; H27-C88 WeakPolarHBondContact O-CA 3.4Å; H27-A89 PolarHBondContact N-O 2.88Å; H27-A89 PolarHBondContact O-N 3.4Å; H27-S91 WeakPolarHBondContact NE2-CB 3.18Å; H27-F95 HydrophobicContact CB-CE1 3.56Å; H27-F95 HydrophobicContact CB-CZ 4.2Å; H27-F95 AromaticContact CD2-CE1 3.55Å; H27-F95 AromaticContact CE1-CE1 3.89Å; H27-F95 AromaticContact CG-CE1 3.36Å; H27-F95 AromaticContact CG-CZ 3.98Å; H27-F95 AromaticContact ND1-CE1 3.59Å; H27-F95 AromaticContact ND1-CZ 3.77Å; H27-F95 AromaticContact NE2-CE1 3.89Å
28	W	97.8	Very high	94	Very high	5 Å²	5	53.9 Å²	53.9	2%	0.019	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.6	175.3	-68.7	90.2	0	0	0	110.3	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.08Å; L12-W28 HydrophobicContact CB-CZ3 3.95Å; C14-W28 HydrophobicContact CB-CH2 3.81Å; C14-W28 HydrophobicContact CB-CZ2 3.95Å; W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.35Å; W28-I40 WeakPolarHBondContact O-CB 3.03Å; W28-I40 PolarHBondContact O-N 2.67Å; W28-G41 PolarHBondContact N-O 2.89Å; W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 4.05Å; W28-A71 HydrophobicContact CZ2-CB 4.39Å; W28-M73 HydrophobicContact CB-CE 4.46Å; W28-M73 HydrophobicContact CB-SD 3.76Å; W28-M73 HydrophobicContact CD2-CB 3.61Å; W28-M73 HydrophobicContact CD2-CE 4.19Å; W28-M73 HydrophobicContact CD2-CG 4.43Å; W28-M73 HydrophobicContact CD2-SD 4.05Å; W28-M73 HydrophobicContact CE3-CB 3.93Å; W28-M73 HydrophobicContact CE3-CE 3.7Å; W28-M73 HydrophobicContact CE3-SD 4.18Å; W28-M73 HydrophobicContact CG-CB 4.06Å; W28-M73 HydrophobicContact CG-SD 3.89Å; W28-M73 HydrophobicContact CH2-CB 4.16Å; W28-M73 HydrophobicContact CZ2-CB 3.88Å; W28-M73 HydrophobicContact CZ3-CB 4.19Å; W28-M73 HydrophobicContact CZ3-CE 4.29Å; W28-Y87 WeakPolarHBondContact CA-O 3.48Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.25Å; W28-C88 HydrophobicContact CH2-CB 4.33Å; W28-C88 HydrophobicContact CZ2-CB 4.49Å; W28-C88 HydrophobicContact CZ3-CB 4.2Å
29	V	97.4	Very high	94.4	Very high	4 Å²	4	53 Å²	53	2%	0.024	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	135.5	-173.8	-175.9	0	0	0	0	109.4	L37 E38 Y86 Y87 W98	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.92Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.33Å; V29-E38 WeakPolarHBondContact CG1-O 3.31Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.24Å; V29-Y87 PolarHBondContact N-O 2.79Å; V29-Y87 PolarHBondContact O-N 2.92Å; V29-W98 HydrophobicContact CB-CH2 4.14Å; V29-W98 HydrophobicContact CB-CZ3 3.81Å; V29-W98 HydrophobicContact CG1-CH2 4.09Å; V29-W98 HydrophobicContact CG1-CZ3 3.99Å; V29-W98 HydrophobicContact CG2-CH2 3.75Å; V29-W98 HydrophobicContact CG2-CZ3 3.82Å
30	K	96.9	Very high	94.8	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139.9	176.1	180	179.9	-179.8	-179.9	0	109.9	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 2.83Å; K30-E38 PolarHBondContact O-N 2.99Å; K30-I40 HydrophobicContact CB-CD1 3.87Å; K30-I40 HydrophobicContact CB-CG1 4.22Å; K30-F56 HydrophobicContact CD-CE1 4.02Å; K30-F56 HydrophobicContact CD-CZ 4.14Å; K30-E81 PolarHBondContact NZ-O 2.84Å; K30-D82 IonicContact NZ-OD1 3.7Å; K30-A84 HydrophobicContact CD-CB 4.17Å; K30-A84 HydrophobicContact CG-CB 3.54Å; K30-Y86 HydrophobicContact CB-CD1 4.08Å; K30-Y86 HydrophobicContact CB-CE1 3.87Å; K30-Y86 HydrophobicContact CD-CE1 3.91Å; K30-Y86 WeakPolarHBondContact CE-OH 3.43Å; K30-Y86 HydrophobicContact CG-CD1 4.29Å; K30-Y86 HydrophobicContact CG-CE1 3.75Å
31	Q	97.1	Very high	95	Very high	67 Å²	67	46.2 Å²	46.2	31%	0.313	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	115.9	171.3	-168.4	-177.8	30.8	0	0	110.2	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.89Å; Q31-L37 HydrophobicContact CG-CD2 4Å; Q31-A84 WeakPolarHBondContact O-CA 3.36Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.21Å; Q31-V85 PolarHBondContact N-O 3.14Å; Q31-V85 PolarHBondContact O-N 3.3Å; Q31-Y87 HydrophobicContact CB-CD2 4.42Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 PolarHBondContact OE1-OH 2.9Å
32	R	94.6	Very high	95.2	Very high	56 Å²	56	47.4 Å²	47.4	21%	0.211	28%	0.276	C	S	.	.			trans	-87.4	150.4	171.7	-53.4	-171.7	-151.9	-161.7	-3.8	110.2	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.94Å; R32-Q35 HydrophobicContact CB-CB 4.04Å; R32-Q35 HydrophobicContact CB-CG 4.05Å; R32-Q35 PolarHBondContact O-N 3.2Å; R32-E38 IonicContact CZ-OE1 2.6Å; R32-E38 IonicContact NE-OE1 3.71Å; R32-E38 PolarHBondContact NE-OE1 2.82Å; R32-E38 VanDerWaalsContact NE-OE1 3.13Å; R32-E38 IonicContact NH2-OE1 2.79Å; R32-E38 PolarHBondContact NH2-OE1 2.83Å; R32-E81 PolarHBondContact NH1-O 2.94Å; R32-A84 HydrophobicContact CG-CB 4.28Å
33	P	90.4	Very high	95.3	Very high	119 Å²	119	44.8 Å²	44.8	77%	0.773	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	127.1	173	-25.3	34.6	0	0	0	111.3	Q35	P33-Q35 PolarHBondContact O-N 3.29Å
34	G	91.5	Very high	95.5	Very high	95 Å²	95	42.8 Å²	42.8	98%	0.979	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.8	4.9	-179.8	0	0	0	0	0	115.7	R32	R32-G34 PolarHBondContact O-N 2.94Å
35	Q	92.8	Very high	95.7	Very high	100 Å²	100	40.5 Å²	40.5	47%	0.467	24%	0.235	S	C	.	.	S	Bend	trans	-114.4	161.8	176.3	-57.4	-171.3	4.5	0	0	111.7	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.04Å; R32-Q35 HydrophobicContact CB-CG 4.05Å; R32-Q35 PolarHBondContact O-N 3.2Å; P33-Q35 PolarHBondContact O-N 3.29Å
36	G	93.2	Very high	95.7	Very high	55 Å²	55	39.5 Å²	39.5	57%	0.567	24%	0.239	S	C	*	.			trans	-68.7	176.4	173.3	0	0	0	0	0	113.1
37	L	95.2	Very high	95.7	Very high	98 Å²	98	44.2 Å²	44.2	51%	0.513	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	127.3	173.7	-65.4	173.2	0	0	0	110.3	V29 Q31 W98	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.92Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; Q31-L37 HydrophobicContact CB-CD2 3.89Å; Q31-L37 HydrophobicContact CG-CD2 4Å; L37-W98 HydrophobicContact CD1-CH2 3.94Å; L37-W98 HydrophobicContact CD1-CZ3 4.4Å
38	E	96.3	Very high	95.6	Very high	35 Å²	35	46.4 Å²	46.4	16%	0.164	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	113.1	174.4	-61.2	-169.6	-93.7	0	0	109.4	V29 K30 R32 I40 F56	V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.33Å; V29-E38 WeakPolarHBondContact CG1-O 3.31Å; K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 2.83Å; K30-E38 PolarHBondContact O-N 2.99Å; R32-E38 IonicContact CZ-OE1 2.6Å; R32-E38 IonicContact NE-OE1 3.71Å; R32-E38 PolarHBondContact NE-OE1 2.82Å; R32-E38 VanDerWaalsContact NE-OE1 3.13Å; R32-E38 IonicContact NH2-OE1 2.79Å; R32-E38 PolarHBondContact NH2-OE1 2.83Å; E38-I40 PolarHBondContact O-N 3.14Å; E38-F56 HydrophobicContact CB-CE2 4.42Å; E38-F56 HydrophobicContact CB-CZ 4.32Å
39	W	96.3	Very high	95.6	Very high	71 Å²	71	52.5 Å²	52.5	27%	0.269	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	127.1	174.3	-178.4	75.4	0	0	0	110.8	H27 G41 E42 N53	H27-W39 AromaticContact CG-NE1 3.98Å; H27-W39 AromaticContact ND1-NE1 3.38Å; H27-W39 PolarHBondContact ND1-NE1 2.91Å; W39-G41 VanDerWaalsContact CZ2-CA 3.4Å; W39-G41 PolarHBondContact NE1-O 3.46Å; W39-E42 HydrophobicContact CH2-CG 4.37Å; W39-E42 HydrophobicContact CZ2-CB 3.87Å; W39-E42 HydrophobicContact CZ2-CG 3.68Å; W39-N53 HydrophobicContact CE3-CB 3.79Å; W39-N53 HydrophobicContact CZ3-CB 3.98Å; W39-N53 WeakPolarHBondContact O-CB 3.43Å; W39-N53 PolarHBondContact O-ND2 2.81Å
40	I	97.5	Very high	95.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-49.1	-178.1	-68.9	162.7	0	0	0	110.6	W28 K30 E38 N53 F56 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.35Å; W28-I40 WeakPolarHBondContact O-CB 3.03Å; W28-I40 PolarHBondContact O-N 2.67Å; K30-I40 HydrophobicContact CB-CD1 3.87Å; K30-I40 HydrophobicContact CB-CG1 4.22Å; E38-I40 PolarHBondContact O-N 3.14Å; I40-N53 WeakPolarHBondContact O-CB 3.42Å; I40-N53 PolarHBondContact O-N 2.88Å; I40-F56 HydrophobicContact CB-CD2 4.25Å; I40-F56 HydrophobicContact CB-CG 4.21Å; I40-F56 HydrophobicContact CG1-CD1 3.94Å; I40-F56 HydrophobicContact CG1-CD2 4.02Å; I40-F56 HydrophobicContact CG1-CE1 3.95Å; I40-F56 HydrophobicContact CG1-CE2 4.01Å; I40-F56 HydrophobicContact CG1-CG 3.98Å; I40-F56 HydrophobicContact CG1-CZ 3.98Å; I40-F56 HydrophobicContact CG2-CB 3.78Å; I40-F56 HydrophobicContact CG2-CD1 4.33Å; I40-F56 HydrophobicContact CG2-CD2 4.43Å; I40-F56 HydrophobicContact CG2-CG 3.94Å; I40-M73 HydrophobicContact CD1-CE 3.97Å; I40-M73 HydrophobicContact CD1-SD 3.77Å; I40-M73 HydrophobicContact CG2-SD 3.91Å; I40-Y86 HydrophobicContact CD1-CD1 3.77Å; I40-Y86 HydrophobicContact CD1-CE1 3.86Å
41	G	97.1	Very high	95.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.8	179.6	-171.4	0	0	0	0	0	111.7	H27 W28 W39 N51	H27-G41 WeakPolarHBondContact CA-O 3.05Å; W28-G41 PolarHBondContact N-O 2.89Å; W39-G41 VanDerWaalsContact CZ2-CA 3.4Å; W39-G41 PolarHBondContact NE1-O 3.46Å; G41-N51 CarbonylContact C-O 3.49Å; G41-N51 WeakPolarHBondContact CA-O 3.28Å
42	E	96.7	Very high	95.6	Very high	31 Å²	31	56.7 Å²	56.7	15%	0.145	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.7	-179.2	65.2	-168.1	165.8	0	0	110.7	W25 M26 H27 W39 T50 N51 L62	W25-E42 HydrophobicContact CE3-CB 3.98Å; W25-E42 VanDerWaalsContact CE3-CD 3.46Å; W25-E42 HydrophobicContact CE3-CG 3.48Å; W25-E42 VanDerWaalsContact CE3-CG 3.48Å; W25-E42 HydrophobicContact CZ3-CG 3.59Å; M26-E42 CarbonylContact O-C 3.53Å; M26-E42 VanDerWaalsContact O-CA 3.23Å; M26-E42 WeakPolarHBondContact O-CA 3.23Å; H27-E42 HydrophobicContact CB-CB 4.36Å; H27-E42 IonicContact CE1-OE2 3.13Å; H27-E42 PolarHBondContact CE1-OE2 3.41Å; H27-E42 WeakPolarHBondContact ND1-CB 3.46Å; H27-E42 IonicContact ND1-OE2 3.58Å; H27-E42 PolarHBondContact ND1-OE2 2.88Å; H27-E42 IonicContact NE2-OE2 3.45Å; W39-E42 HydrophobicContact CH2-CG 4.37Å; W39-E42 HydrophobicContact CZ2-CB 3.87Å; W39-E42 HydrophobicContact CZ2-CG 3.68Å; E42-T50 WeakPolarHBondContact O-CA 3.4Å; E42-N51 HydrophobicContact CG-CB 3.82Å; E42-N51 PolarHBondContact N-O 2.85Å; E42-N51 PolarHBondContact O-N 3.17Å; E42-N51 WeakPolarHBondContact OE1-CB 3.25Å; E42-N51 PolarHBondContact OE1-ND2 3.5Å; E42-L62 WeakPolarHBondContact O-CD1 3.09Å
43	I	97.4	Very high	95.6	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	132.1	174.8	-174.8	158.7	0	0	0	109.1	M26 P45 Y49 T50 L62 V64	M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 2.81Å; M26-I43 PolarHBondContact O-N 2.6Å; I43-P45 VanDerWaalsContact O-CD 3.3Å; I43-P45 WeakPolarHBondContact O-CD 3.47Å; I43-Y49 CarbonylContact C-O 3.51Å; I43-Y49 VanDerWaalsContact CA-O 3.31Å; I43-Y49 WeakPolarHBondContact CA-O 3.33Å; I43-T50 HydrophobicContact CB-CG2 3.93Å; I43-T50 HydrophobicContact CD1-CG2 3.59Å; I43-T50 HydrophobicContact CG1-CG2 3.71Å; I43-L62 HydrophobicContact CB-CB 4.15Å; I43-L62 HydrophobicContact CB-CD1 4.39Å; I43-L62 HydrophobicContact CD1-CB 4.17Å; I43-L62 HydrophobicContact CG2-CB 4.41Å; I43-V64 HydrophobicContact CD1-CB 4.48Å; I43-V64 HydrophobicContact CD1-CG1 3.79Å; I43-V64 HydrophobicContact CD1-CG2 4.24Å; I43-V64 HydrophobicContact CG1-CG1 3.96Å; I43-V64 HydrophobicContact CG2-CG1 3.86Å
44	D	96.6	Very high	95.8	Very high	22 Å²	22	59 Å²	59	12%	0.118	33%	0.332	C	S	.	.			trans	-82.1	113.4	167.9	-170.2	-33.3	0	0	0	108.3	W25 S46 S48 Y49	W25-D44 HydrophobicContact CD2-CB 4Å; W25-D44 HydrophobicContact CE3-CB 4.23Å; W25-D44 HydrophobicContact CH2-CB 4.19Å; W25-D44 HydrophobicContact CZ2-CB 3.88Å; W25-D44 HydrophobicContact CZ3-CB 4.33Å; W25-D44 PolarHBondContact NE1-OD2 3.07Å; D44-S46 PolarHBondContact O-N 2.96Å; D44-S46 WeakPolarHBondContact OD1-CA 3.42Å; D44-S46 WeakPolarHBondContact OD1-CB 3.16Å; D44-S46 PolarHBondContact OD1-N 2.8Å; D44-S46 PolarHBondContact OD1-OG 2.91Å; D44-S46 PolarHBondContact OD2-OG 3.25Å; D44-S48 WeakPolarHBondContact O-CA 3.2Å; D44-S48 PolarHBondContact O-N 2.86Å; D44-Y49 PolarHBondContact N-O 2.79Å
45	P	96.1	Very high	95.9	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-10.8	-179.5	-16.4	32.1	0	0	0	113.7	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.85Å; F21-P45 HydrophobicContact CD1-CG 4.48Å; F21-P45 HydrophobicContact CD2-CB 4.45Å; F21-P45 HydrophobicContact CD2-CG 4.23Å; F21-P45 HydrophobicContact CE1-CB 3.57Å; F21-P45 HydrophobicContact CE1-CG 4.12Å; F21-P45 HydrophobicContact CE2-CB 4.19Å; F21-P45 HydrophobicContact CE2-CG 3.82Å; F21-P45 HydrophobicContact CG-CB 4.31Å; F21-P45 HydrophobicContact CZ-CB 3.75Å; F21-P45 HydrophobicContact CZ-CG 3.77Å; Y24-P45 WeakPolarHBondContact O-CD 3.47Å; Y24-P45 WeakPolarHBondContact O-CG 3.03Å; I43-P45 VanDerWaalsContact O-CD 3.3Å; I43-P45 WeakPolarHBondContact O-CD 3.47Å; P45-V64 HydrophobicContact CB-CG1 4.04Å; P45-V64 HydrophobicContact CG-CG1 4.3Å; P45-K66 WeakPolarHBondContact O-CE 3Å
46	S	95.3	Very high	95.9	Very high	52 Å²	52	57.7 Å²	57.7	36%	0.364	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-45.3	179.2	72.8	0	0	0	0	112.6	D44 K66	D44-S46 PolarHBondContact O-N 2.96Å; D44-S46 WeakPolarHBondContact OD1-CA 3.42Å; D44-S46 WeakPolarHBondContact OD1-CB 3.16Å; D44-S46 PolarHBondContact OD1-N 2.8Å; D44-S46 PolarHBondContact OD1-OG 2.91Å; D44-S46 PolarHBondContact OD2-OG 3.25Å; S46-K66 WeakPolarHBondContact O-CE 2.99Å; S46-K66 PolarHBondContact O-NZ 3.38Å
47	D	96	Very high	95.8	Very high	103 Å²	103	62.6 Å²	62.6	55%	0.551	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.1	-0.4	-176	66.9	3.4	0	0	0	113.5	Y49	D47-Y49 PolarHBondContact O-N 3.07Å; D47-Y49 WeakPolarHBondContact OD1-CB 3.38Å; D47-Y49 PolarHBondContact OD1-N 3.14Å
48	S	96.1	Very high	95.7	Very high	59 Å²	59	61.5 Å²	61.5	41%	0.413	32%	0.316	S	S	.	.			trans	64.2	19.6	-176.9	-46.8	0	0	0	0	114	D44 T50 V64	D44-S48 WeakPolarHBondContact O-CA 3.2Å; D44-S48 PolarHBondContact O-N 2.86Å; S48-T50 PolarHBondContact O-N 3.36Å; S48-V64 WeakPolarHBondContact OG-CG2 3.47Å
49	Y	97.1	Very high	95.6	Very high	132 Å²	132	62.3 Å²	62.3	52%	0.518	32%	0.319	S	S	.	.			trans	-60.8	136.9	170.3	-179.6	-92	0	0	0	109.9	W25 I43 D44 D47 N51	W25-Y49 AromaticContact CH2-CD1 3.45Å; W25-Y49 HydrophobicContact CH2-CD1 3.45Å; W25-Y49 VanDerWaalsContact CH2-CD1 3.45Å; W25-Y49 AromaticContact CH2-CE1 3.87Å; W25-Y49 HydrophobicContact CH2-CE1 3.87Å; W25-Y49 HydrophobicContact CZ2-CD1 4.5Å; W25-Y49 AromaticContact CZ3-CD1 3.88Å; W25-Y49 HydrophobicContact CZ3-CD1 3.88Å; W25-Y49 HydrophobicContact CZ3-CE1 4.28Å; I43-Y49 CarbonylContact C-O 3.51Å; I43-Y49 VanDerWaalsContact CA-O 3.31Å; I43-Y49 WeakPolarHBondContact CA-O 3.33Å; D44-Y49 PolarHBondContact N-O 2.79Å; D47-Y49 PolarHBondContact O-N 3.07Å; D47-Y49 WeakPolarHBondContact OD1-CB 3.38Å; D47-Y49 PolarHBondContact OD1-N 3.14Å; Y49-N51 HydrophobicContact CE1-CB 4.2Å
50	T	97.4	Very high	95.6	Very high	47 Å²	47	59.1 Å²	59.1	29%	0.288	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.9	-178.4	51.3	0	0	0	0	111.3	E42 I43 S48 Y52 L62	E42-T50 WeakPolarHBondContact O-CA 3.4Å; I43-T50 HydrophobicContact CB-CG2 3.93Å; I43-T50 HydrophobicContact CD1-CG2 3.59Å; I43-T50 HydrophobicContact CG1-CG2 3.71Å; S48-T50 PolarHBondContact O-N 3.36Å; T50-Y52 HydrophobicContact CG2-CE2 4.43Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.49Å; T50-L62 HydrophobicContact CG2-CB 4.02Å
51	N	96.4	Very high	95.6	Very high	67 Å²	67	62.3 Å²	62.3	36%	0.358	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	142.9	171.9	-178.7	25.4	0	0	0	109	G41 E42 Y49	G41-N51 CarbonylContact C-O 3.49Å; G41-N51 WeakPolarHBondContact CA-O 3.28Å; E42-N51 HydrophobicContact CG-CB 3.82Å; E42-N51 PolarHBondContact N-O 2.85Å; E42-N51 PolarHBondContact O-N 3.17Å; E42-N51 WeakPolarHBondContact OE1-CB 3.25Å; E42-N51 PolarHBondContact OE1-ND2 3.5Å; Y49-N51 HydrophobicContact CE1-CB 4.2Å
52	Y	97.3	Very high	95.7	Very high	47 Å²	47	62.7 Å²	62.7	18%	0.184	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.3	-170.9	-67.7	-91.1	0	0	0	110.8	T50 S60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.43Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.49Å; Y52-S60 WeakPolarHBondContact CE1-O 3.42Å; Y52-S60 WeakPolarHBondContact CE1-OG 3.45Å; Y52-L62 HydrophobicContact CE1-CD1 4.01Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 3.45Å
53	N	96.1	Very high	95.7	Very high	47 Å²	47	64 Å²	64	25%	0.251	34%	0.339	S	S	.	.			trans	-67.3	132.9	157.1	-176.4	-25.8	0	0	0	109	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.79Å; W39-N53 HydrophobicContact CZ3-CB 3.98Å; W39-N53 WeakPolarHBondContact O-CB 3.43Å; W39-N53 PolarHBondContact O-ND2 2.81Å; I40-N53 WeakPolarHBondContact O-CB 3.42Å; I40-N53 PolarHBondContact O-N 2.88Å; N53-K55 PolarHBondContact O-N 2.95Å; N53-K55 VanDerWaalsContact O-N 3.07Å; N53-K55 PolarHBondContact OD1-N 2.82Å; N53-K55 VanDerWaalsContact OD1-N 3.14Å; N53-F56 HydrophobicContact CB-CD2 4.07Å; N53-F56 PolarHBondContact O-N 3.14Å; N53-K57 PolarHBondContact O-N 3.05Å
54	Q	94.3	Very high	95.7	Very high	176 Å²	176	65.2 Å²	65.2	82%	0.822	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-32.3	-177.2	-68.9	-157	-4.4	0	0	113.4	F56 K57	Q54-F56 PolarHBondContact O-N 3.06Å; Q54-K57 PolarHBondContact O-N 2.84Å
55	K	92.2	Very high	95.8	Very high	158 Å²	158	66.9 Å²	66.9	69%	0.687	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.9	177.5	-70	-178.2	172.6	179.8	0	113.9	N53	N53-K55 PolarHBondContact O-N 2.95Å; N53-K55 VanDerWaalsContact O-N 3.07Å; N53-K55 PolarHBondContact OD1-N 2.82Å; N53-K55 VanDerWaalsContact OD1-N 3.14Å
56	F	93.8	Very high	95.7	Very high	10 Å²	10	72.1 Å²	72.1	4%	0.044	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-7.2	-175.2	-61.7	-84.2	0	0	0	112.7	K30 E38 I40 N53 Q54 G58 K59 S60	K30-F56 HydrophobicContact CD-CE1 4.02Å; K30-F56 HydrophobicContact CD-CZ 4.14Å; E38-F56 HydrophobicContact CB-CE2 4.42Å; E38-F56 HydrophobicContact CB-CZ 4.32Å; I40-F56 HydrophobicContact CB-CD2 4.25Å; I40-F56 HydrophobicContact CB-CG 4.21Å; I40-F56 HydrophobicContact CG1-CD1 3.94Å; I40-F56 HydrophobicContact CG1-CD2 4.02Å; I40-F56 HydrophobicContact CG1-CE1 3.95Å; I40-F56 HydrophobicContact CG1-CE2 4.01Å; I40-F56 HydrophobicContact CG1-CG 3.98Å; I40-F56 HydrophobicContact CG1-CZ 3.98Å; I40-F56 HydrophobicContact CG2-CB 3.78Å; I40-F56 HydrophobicContact CG2-CD1 4.33Å; I40-F56 HydrophobicContact CG2-CD2 4.43Å; I40-F56 HydrophobicContact CG2-CG 3.94Å; N53-F56 HydrophobicContact CB-CD2 4.07Å; N53-F56 PolarHBondContact O-N 3.14Å; Q54-F56 PolarHBondContact O-N 3.06Å; F56-G58 PolarHBondContact O-N 2.83Å; F56-K59 PolarHBondContact O-N 2.87Å; F56-S60 PolarHBondContact O-N 2.9Å; F56-S60 PolarHBondContact O-OG 3.2Å; F56-S60 VanDerWaalsContact O-OG 3.1Å
57	K	91.6	Very high	95.6	Very high	157 Å²	157	74.9 Å²	74.9	68%	0.683	40%	0.398	S	S	*	.	B	Isolated β-bridge	trans	-60.1	121.1	175.8	-166.7	173.2	-176.1	177.7	0	109.5	N53 Q54 K59	N53-K57 PolarHBondContact O-N 3.05Å; Q54-K57 PolarHBondContact O-N 2.84Å; K57-K59 VanDerWaalsContact C-N 3.32Å
58	G	91.6	Very high	95.6	Very high	75 Å²	75	71.6 Å²	71.6	77%	0.773	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.5	-20.4	-175.7	0	0	0	0	0	114.7	F56	F56-G58 PolarHBondContact O-N 2.83Å
59	K	94.6	Very high	95.6	Very high	53 Å²	53	70.7 Å²	70.7	23%	0.23	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-36.8	172.7	-167.8	163.6	-166.3	174.7	0	112.4	F56 K57 L75 S76 D82	F56-K59 PolarHBondContact O-N 2.87Å; K57-K59 VanDerWaalsContact C-N 3.32Å; K59-L75 WeakPolarHBondContact O-CA 3.47Å; K59-S76 PolarHBondContact O-N 2.82Å; K59-D82 VanDerWaalsContact CE-OD1 3.31Å; K59-D82 WeakPolarHBondContact CE-OD1 3.45Å; K59-D82 WeakPolarHBondContact CE-OD2 3.33Å; K59-D82 IonicContact NZ-OD1 3.04Å; K59-D82 PolarHBondContact NZ-OD1 3.01Å; K59-D82 IonicContact NZ-OD2 2.74Å; K59-D82 PolarHBondContact NZ-OD2 2.96Å
60	S	96.4	Very high	95.7	Very high	3 Å²	3	64.8 Å²	64.8	2%	0.021	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.5	177.3	61.1	0	0	0	0	111.9	Y52 F56 Q74	Y52-S60 WeakPolarHBondContact CE1-O 3.42Å; Y52-S60 WeakPolarHBondContact CE1-OG 3.45Å; F56-S60 PolarHBondContact O-N 2.9Å; F56-S60 PolarHBondContact O-OG 3.2Å; F56-S60 VanDerWaalsContact O-OG 3.1Å; S60-Q74 CarbonylContact C-O 3.53Å; S60-Q74 VanDerWaalsContact CA-O 3.27Å; S60-Q74 WeakPolarHBondContact CA-O 3.23Å
61	T	97.9	Very high	95.7	Very high	67 Å²	67	62.5 Å²	62.5	41%	0.411	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121.6	168.8	-58.1	0	0	0	0	109.3	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.37Å; T61-M73 WeakPolarHBondContact O-CA 3.31Å; T61-Q74 PolarHBondContact N-O 2.97Å; T61-Q74 PolarHBondContact O-N 3.03Å
62	L	98.3	Very high	95.8	Very high	9 Å²	9	61.8 Å²	61.8	5%	0.047	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	135.6	177.8	-52.2	-176.3	0	0	0	110.6	W28 E42 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 4.05Å; E42-L62 WeakPolarHBondContact O-CD1 3.09Å; I43-L62 HydrophobicContact CB-CB 4.15Å; I43-L62 HydrophobicContact CB-CD1 4.39Å; I43-L62 HydrophobicContact CD1-CB 4.17Å; I43-L62 HydrophobicContact CG2-CB 4.41Å; T50-L62 HydrophobicContact CG2-CB 4.02Å; Y52-L62 HydrophobicContact CE1-CD1 4.01Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 3.45Å; L62-Y72 WeakPolarHBondContact CA-O 3.3Å; L62-M73 HydrophobicContact CD2-CB 3.67Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.12Å
63	T	98.1	Very high	95.8	Very high	57 Å²	57	59.5 Å²	59.5	35%	0.35	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	160.8	177.1	53.7	0	0	0	0	110.5	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.37Å; T63-Y72 PolarHBondContact N-O 3.19Å; T63-Y72 PolarHBondContact O-N 2.95Å
64	V	97.6	Very high	95.9	Very high	29 Å²	29	61.1 Å²	61.1	18%	0.176	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.1	176	-70.5	0	0	0	0	110.9	F21 I43 P45 S48 A71	F21-V64 HydrophobicContact CE1-CB 4.26Å; F21-V64 HydrophobicContact CE1-CG1 4.29Å; F21-V64 HydrophobicContact CZ-CB 4.44Å; F21-V64 HydrophobicContact CZ-CG1 4.02Å; I43-V64 HydrophobicContact CD1-CB 4.48Å; I43-V64 HydrophobicContact CD1-CG1 3.79Å; I43-V64 HydrophobicContact CD1-CG2 4.24Å; I43-V64 HydrophobicContact CG1-CG1 3.96Å; I43-V64 HydrophobicContact CG2-CG1 3.86Å; P45-V64 HydrophobicContact CB-CG1 4.04Å; P45-V64 HydrophobicContact CG-CG1 4.3Å; S48-V64 WeakPolarHBondContact OG-CG2 3.47Å; V64-A71 HydrophobicContact CG1-CB 4.17Å
65	D	96.9	Very high	96	Very high	56 Å²	56	52.8 Å²	52.8	30%	0.299	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	106.4	164.9	174.6	8.5	0	0	0	108.5	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.74Å; D65-S67 WeakPolarHBondContact OD1-CB 3.43Å; D65-S67 PolarHBondContact OD1-N 3.25Å; D65-S67 PolarHBondContact OD1-OG 2.85Å; D65-S67 PolarHBondContact OD2-OG 3.04Å; D65-S68 WeakPolarHBondContact CB-OG 3.21Å; D65-S68 PolarHBondContact OD1-N 3.44Å; D65-S68 WeakPolarHBondContact OD2-CB 3.06Å; D65-S68 PolarHBondContact OD2-OG 2.98Å; D65-S69 WeakPolarHBondContact O-CA 3.49Å; D65-S69 PolarHBondContact O-N 3.34Å; D65-T70 PolarHBondContact N-O 2.84Å; D65-T70 PolarHBondContact O-N 2.89Å; D65-Y72 HydrophobicContact CB-CE2 3.89Å
66	K	94.8	Very high	96.2	Very high	110 Å²	110	46.9 Å²	46.9	48%	0.478	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-32.9	-178.8	-60.8	177.6	-175.6	-174.2	0	111.8	T22 P45 S46 S69	T22-K66 HydrophobicContact CG2-CG 4.49Å; P45-K66 WeakPolarHBondContact O-CE 3Å; S46-K66 WeakPolarHBondContact O-CE 2.99Å; S46-K66 PolarHBondContact O-NZ 3.38Å; K66-S69 PolarHBondContact O-N 3.28Å
67	S	94.1	Very high	96.2	Very high	110 Å²	110	50.3 Å²	50.3	77%	0.769	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-39.4	-176.1	72.9	0	0	0	0	111.8	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.74Å; D65-S67 WeakPolarHBondContact OD1-CB 3.43Å; D65-S67 PolarHBondContact OD1-N 3.25Å; D65-S67 PolarHBondContact OD1-OG 2.85Å; D65-S67 PolarHBondContact OD2-OG 3.04Å
68	S	96	Very high	96.4	Very high	34 Å²	34	42.9 Å²	42.9	24%	0.238	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-0.2	176.5	66.3	0	0	0	0	113.6	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.21Å; D65-S68 PolarHBondContact OD1-N 3.44Å; D65-S68 WeakPolarHBondContact OD2-CB 3.06Å; D65-S68 PolarHBondContact OD2-OG 2.98Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 2.99Å; S68-T70 PolarHBondContact O-OG1 3.1Å; S68-T70 VanDerWaalsContact O-OG1 3.07Å; S68-T70 WeakPolarHBondContact OG-CB 3.2Å; S68-T70 PolarHBondContact OG-OG1 2.98Å
69	S	96.2	Very high	96.6	Very high	41 Å²	41	42.1 Å²	42.1	29%	0.287	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	44.5	-173.8	-63.5	0	0	0	0	112.6	A16 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.44Å; A16-S69 PolarHBondContact N-O 2.97Å; D65-S69 WeakPolarHBondContact O-CA 3.49Å; D65-S69 PolarHBondContact O-N 3.34Å; K66-S69 PolarHBondContact O-N 3.28Å
70	T	97.6	Very high	96.5	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.043	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.5	-174	-54.6	0	0	0	0	110.9	C14 K15 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.41Å; K15-T70 HydrophobicContact CB-CG2 4.43Å; D65-T70 PolarHBondContact N-O 2.84Å; D65-T70 PolarHBondContact O-N 2.89Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 2.99Å; S68-T70 PolarHBondContact O-OG1 3.1Å; S68-T70 VanDerWaalsContact O-OG1 3.07Å; S68-T70 WeakPolarHBondContact OG-CB 3.2Å; S68-T70 PolarHBondContact OG-OG1 2.98Å; T70-Y72 HydrophobicContact CG2-CD1 4.23Å; T70-Y72 HydrophobicContact CG2-CD2 4.33Å; T70-Y72 HydrophobicContact CG2-CE1 3.63Å; T70-Y72 HydrophobicContact CG2-CE2 3.73Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.27Å
71	A	97.6	Very high	96.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	149.1	167.2	0	0	0	0	0	110.1	S13 C14 F21 M26 W28 V64	S13-A71 CarbonylContact C-O 3.59Å; S13-A71 WeakPolarHBondContact CA-O 3.5Å; C14-A71 PolarHBondContact N-O 2.98Å; C14-A71 PolarHBondContact O-N 3.13Å; F21-A71 HydrophobicContact CE2-CB 4.37Å; F21-A71 HydrophobicContact CZ-CB 3.99Å; M26-A71 HydrophobicContact CB-CB 4.11Å; M26-A71 HydrophobicContact CG-CB 3.58Å; W28-A71 HydrophobicContact CZ2-CB 4.39Å; V64-A71 HydrophobicContact CG1-CB 4.17Å
72	Y	98.1	Very high	96.2	Very high	51 Å²	51	45.9 Å²	45.9	20%	0.2	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	145.7	178.4	-56.7	-87.8	0	0	0	111.2	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.28Å; K11-Y72 VanDerWaalsContact CE-CB 3.44Å; K11-Y72 VanDerWaalsContact CE-CD1 3.42Å; K11-Y72 HydrophobicContact CG-CD1 4.25Å; L12-Y72 CarbonylContact O-C 3.6Å; L12-Y72 WeakPolarHBondContact O-CA 3.46Å; S13-Y72 VanDerWaalsContact CB-CD1 3.46Å; S13-Y72 VanDerWaalsContact CB-CE1 3.42Å; L62-Y72 WeakPolarHBondContact CA-O 3.3Å; T63-Y72 PolarHBondContact N-O 3.19Å; T63-Y72 PolarHBondContact O-N 2.95Å; D65-Y72 HydrophobicContact CB-CE2 3.89Å; T70-Y72 HydrophobicContact CG2-CD1 4.23Å; T70-Y72 HydrophobicContact CG2-CD2 4.33Å; T70-Y72 HydrophobicContact CG2-CE1 3.63Å; T70-Y72 HydrophobicContact CG2-CE2 3.73Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.27Å
73	M	98.1	Very high	96.1	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.5	167.3	175.9	175.7	70.2	0	0	108.7	L12 W28 I40 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.73Å; L12-M73 PolarHBondContact N-O 2.79Å; L12-M73 PolarHBondContact O-N 2.03Å; W28-M73 HydrophobicContact CB-CE 4.46Å; W28-M73 HydrophobicContact CB-SD 3.76Å; W28-M73 HydrophobicContact CD2-CB 3.61Å; W28-M73 HydrophobicContact CD2-CE 4.19Å; W28-M73 HydrophobicContact CD2-CG 4.43Å; W28-M73 HydrophobicContact CD2-SD 4.05Å; W28-M73 HydrophobicContact CE3-CB 3.93Å; W28-M73 HydrophobicContact CE3-CE 3.7Å; W28-M73 HydrophobicContact CE3-SD 4.18Å; W28-M73 HydrophobicContact CG-CB 4.06Å; W28-M73 HydrophobicContact CG-SD 3.89Å; W28-M73 HydrophobicContact CH2-CB 4.16Å; W28-M73 HydrophobicContact CZ2-CB 3.88Å; W28-M73 HydrophobicContact CZ3-CB 4.19Å; W28-M73 HydrophobicContact CZ3-CE 4.29Å; I40-M73 HydrophobicContact CD1-CE 3.97Å; I40-M73 HydrophobicContact CD1-SD 3.77Å; I40-M73 HydrophobicContact CG2-SD 3.91Å; T61-M73 WeakPolarHBondContact O-CA 3.31Å; L62-M73 HydrophobicContact CD2-CB 3.67Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.12Å; M73-L75 HydrophobicContact CE-CD1 4.02Å; M73-L75 HydrophobicContact CE-CD2 4.2Å; M73-L75 HydrophobicContact CE-CG 4.08Å; M73-L75 HydrophobicContact CG-CD2 4.35Å; M73-L75 HydrophobicContact CG-CG 4.37Å; M73-L75 HydrophobicContact SD-CD2 4.1Å; M73-L75 HydrophobicContact SD-CG 4.46Å; M73-Y86 HydrophobicContact CE-CD1 3.59Å; M73-Y86 HydrophobicContact CE-CE1 4.19Å; M73-Y86 HydrophobicContact CE-CG 4.23Å
74	Q	97.8	Very high	96	Very high	80 Å²	80	44.6 Å²	44.6	37%	0.374	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.1	169.8	-175.7	173.3	3.6	0	0	109.2	V10 S60 T61	V10-Q74 CarbonylContact O-C 3.4Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.35Å; S60-Q74 CarbonylContact C-O 3.53Å; S60-Q74 VanDerWaalsContact CA-O 3.27Å; S60-Q74 WeakPolarHBondContact CA-O 3.23Å; T61-Q74 PolarHBondContact N-O 2.97Å; T61-Q74 PolarHBondContact O-N 3.03Å
75	L	96.8	Very high	96	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	132	170.4	-63.4	167.8	0	0	0	108.3	S9 V10 L12 K59 M73 L78 Y86 L104	S9-L75 CarbonylContact C-O 3.53Å; S9-L75 WeakPolarHBondContact CA-O 3.41Å; S9-L75 WeakPolarHBondContact CB-O 3.5Å; V10-L75 HydrophobicContact CG1-CB 3.97Å; V10-L75 HydrophobicContact CG1-CD1 4.21Å; V10-L75 PolarHBondContact N-O 2.89Å; V10-L75 PolarHBondContact O-N 2.8Å; L12-L75 HydrophobicContact CD1-CD1 4.47Å; K59-L75 WeakPolarHBondContact O-CA 3.47Å; M73-L75 HydrophobicContact CE-CD1 4.02Å; M73-L75 HydrophobicContact CE-CD2 4.2Å; M73-L75 HydrophobicContact CE-CG 4.08Å; M73-L75 HydrophobicContact CG-CD2 4.35Å; M73-L75 HydrophobicContact CG-CG 4.37Å; M73-L75 HydrophobicContact SD-CD2 4.1Å; M73-L75 HydrophobicContact SD-CG 4.46Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CD1-CD2 4.28Å; L75-Y86 HydrophobicContact CD1-CD1 4.22Å; L75-Y86 HydrophobicContact CD1-CE1 3.62Å; L75-Y86 HydrophobicContact CD1-CE2 4.2Å; L75-L104 HydrophobicContact CD1-CD2 4.07Å
76	S	95.9	Very high	96.1	Very high	33 Å²	33	42.3 Å²	42.3	23%	0.231	25%	0.247	C	C	.	.			trans	-115.1	153.9	-177.8	-60.7	0	0	0	0	111.9	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.27Å; K59-S76 PolarHBondContact O-N 2.82Å; S76-L78 PolarHBondContact O-N 2.85Å
77	S	95.2	Very high	96.2	Very high	83 Å²	83	39.2 Å²	39.2	58%	0.58	23%	0.233	S	C	*	.	S	Bend	trans	52.8	54.2	175.5	-55.2	0	0	0	0	112.2	A8	A8-S77 PolarHBondContact O-N 2.91Å
78	L	95.6	Very high	96.3	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	20%	0.201	C	C	.	.			trans	-63.2	141.8	-173.8	-70	170.8	0	0	0	112.3	V4 P6 G7 A8 V10 L75 S76 D82 L104 V106	V4-L78 HydrophobicContact CB-CD1 4.48Å; V4-L78 HydrophobicContact CG2-CD1 3.56Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.45Å; G7-L78 PolarHBondContact N-O 2.93Å; A8-L78 WeakPolarHBondContact O-CB 3.38Å; A8-L78 VanDerWaalsContact O-CG 3.28Å; A8-L78 WeakPolarHBondContact O-CG 3.15Å; A8-L78 PolarHBondContact O-N 2.92Å; V10-L78 HydrophobicContact CB-CD1 4.11Å; V10-L78 HydrophobicContact CG1-CD1 3.77Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CD1-CD2 4.28Å; S76-L78 PolarHBondContact O-N 2.85Å; L78-D82 WeakPolarHBondContact CA-OD2 3.5Å; L78-D82 HydrophobicContact CD2-CB 3.68Å; L78-L104 HydrophobicContact CD1-CD2 4.21Å; L78-L104 HydrophobicContact CD2-CD2 4.05Å; L78-V106 HydrophobicContact CB-CG1 4.3Å; L78-V106 HydrophobicContact CB-CG2 3.98Å; L78-V106 HydrophobicContact CD1-CG2 4.46Å
79	T	95.1	Very high	96.3	Very high	58 Å²	58	33 Å²	33	36%	0.356	19%	0.19	S	C	.	.			trans	-123.3	167	174	66.8	0	0	0	0	110	E81 D82 V106	T79-E81 PolarHBondContact O-N 2.84Å; T79-D82 PolarHBondContact N-OD2 3.49Å; T79-D82 WeakPolarHBondContact O-CB 3.35Å; T79-D82 PolarHBondContact O-N 3.2Å; T79-D82 PolarHBondContact OG1-OD2 2.85Å; T79-V106 WeakPolarHBondContact O-CB 3.46Å; T79-V106 VanDerWaalsContact O-CG2 3.31Å; T79-V106 WeakPolarHBondContact O-CG2 3.09Å
80	S	93.4	Very high	96.1	Very high	74 Å²	74	33.5 Å²	33.5	52%	0.517	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-52.8	-31.4	176.4	55.3	0	0	0	0	112.9	D82 S83	S80-D82 PolarHBondContact O-N 2.88Å; S80-S83 VanDerWaalsContact O-CB 3.3Å; S80-S83 WeakPolarHBondContact O-CB 3.16Å; S80-S83 PolarHBondContact O-N 2.94Å; S80-S83 VanDerWaalsContact O-N 3.13Å; S80-S83 PolarHBondContact O-OG 2.88Å
81	E	92	Very high	95.6	Very high	123 Å²	123	33.8 Å²	33.8	58%	0.575	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-66.2	-16.4	175.6	-63.2	-171.7	-173.9	0	0	114.6	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.84Å; R32-E81 PolarHBondContact NH1-O 2.94Å; T79-E81 PolarHBondContact O-N 2.84Å; E81-S83 VanDerWaalsContact C-N 3.27Å
82	D	94.8	Very high	94.5	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.027	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-82.3	-6.3	174.7	-59.7	-46.7	0	0	0	113.4	K30 K59 L78 T79 S80 A84 Y86 V106	K30-D82 IonicContact NZ-OD1 3.7Å; K59-D82 VanDerWaalsContact CE-OD1 3.31Å; K59-D82 WeakPolarHBondContact CE-OD1 3.45Å; K59-D82 WeakPolarHBondContact CE-OD2 3.33Å; K59-D82 IonicContact NZ-OD1 3.04Å; K59-D82 PolarHBondContact NZ-OD1 3.01Å; K59-D82 IonicContact NZ-OD2 2.74Å; K59-D82 PolarHBondContact NZ-OD2 2.96Å; L78-D82 WeakPolarHBondContact CA-OD2 3.5Å; L78-D82 HydrophobicContact CD2-CB 3.68Å; T79-D82 PolarHBondContact N-OD2 3.49Å; T79-D82 WeakPolarHBondContact O-CB 3.35Å; T79-D82 PolarHBondContact O-N 3.2Å; T79-D82 PolarHBondContact OG1-OD2 2.85Å; S80-D82 PolarHBondContact O-N 2.88Å; D82-A84 PolarHBondContact O-N 2.99Å; D82-A84 VanDerWaalsContact O-N 3.14Å; D82-Y86 VanDerWaalsContact O-CE2 3.32Å; D82-Y86 WeakPolarHBondContact O-CE2 3.44Å; D82-Y86 PolarHBondContact O-OH 2.78Å; D82-V106 HydrophobicContact CB-CG2 4.18Å
83	S	96.3	Very high	93.3	Very high	34 Å²	34	45 Å²	45	24%	0.238	24%	0.235	C	C	.	.			trans	-63.7	113.8	173.3	-56.4	0	0	0	0	110.5	S80 E81 L104 V106	S80-S83 VanDerWaalsContact O-CB 3.3Å; S80-S83 WeakPolarHBondContact O-CB 3.16Å; S80-S83 PolarHBondContact O-N 2.94Å; S80-S83 VanDerWaalsContact O-N 3.13Å; S80-S83 PolarHBondContact O-OG 2.88Å; E81-S83 VanDerWaalsContact C-N 3.27Å; S83-L104 CarbonylContact C-O 3.56Å; S83-L104 VanDerWaalsContact CA-O 3.25Å; S83-L104 WeakPolarHBondContact CA-O 3.48Å; S83-V106 PolarHBondContact OG-N 3.2Å
84	A	97	Very high	92.1	Very high	6 Å²	6	53.7 Å²	53.7	5%	0.05	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	171.7	-171.2	0	0	0	0	0	111	K30 Q31 R32 D82 Y86 L104	K30-A84 HydrophobicContact CD-CB 4.17Å; K30-A84 HydrophobicContact CG-CB 3.54Å; Q31-A84 WeakPolarHBondContact O-CA 3.36Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.21Å; R32-A84 HydrophobicContact CG-CB 4.28Å; D82-A84 PolarHBondContact O-N 2.99Å; D82-A84 VanDerWaalsContact O-N 3.14Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; A84-L104 PolarHBondContact N-O 3.45Å; A84-L104 PolarHBondContact O-N 2.6Å
85	V	97.8	Very high	91.1	Very high	33 Å²	33	54 Å²	54	20%	0.2	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.3	160.9	-169.8	0	0	0	0	108.4	Q31 Y87	Q31-V85 PolarHBondContact N-O 3.14Å; Q31-V85 PolarHBondContact O-N 3.3Å; V85-Y87 HydrophobicContact CB-CE2 3.84Å; V85-Y87 HydrophobicContact CG1-CD1 4.42Å; V85-Y87 HydrophobicContact CG1-CD2 4.33Å; V85-Y87 HydrophobicContact CG1-CE1 3.75Å; V85-Y87 HydrophobicContact CG1-CE2 3.67Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.45Å
86	Y	97.9	Very high	90.4	Very high	3 Å²	3	58.1 Å²	58.1	1%	0.012	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126.6	177.5	-68.2	-91.2	0	0	0	109.7	L12 V29 K30 I40 M73 L75 D82 A84 G101 T102 L104	L12-Y86 HydrophobicContact CD1-CD1 4.37Å; L12-Y86 HydrophobicContact CD1-CD2 4.09Å; L12-Y86 HydrophobicContact CD1-CG 3.75Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.24Å; K30-Y86 HydrophobicContact CB-CD1 4.08Å; K30-Y86 HydrophobicContact CB-CE1 3.87Å; K30-Y86 HydrophobicContact CD-CE1 3.91Å; K30-Y86 WeakPolarHBondContact CE-OH 3.43Å; K30-Y86 HydrophobicContact CG-CD1 4.29Å; K30-Y86 HydrophobicContact CG-CE1 3.75Å; I40-Y86 HydrophobicContact CD1-CD1 3.77Å; I40-Y86 HydrophobicContact CD1-CE1 3.86Å; M73-Y86 HydrophobicContact CE-CD1 3.59Å; M73-Y86 HydrophobicContact CE-CE1 4.19Å; M73-Y86 HydrophobicContact CE-CG 4.23Å; L75-Y86 HydrophobicContact CD1-CD1 4.22Å; L75-Y86 HydrophobicContact CD1-CE1 3.62Å; L75-Y86 HydrophobicContact CD1-CE2 4.2Å; D82-Y86 VanDerWaalsContact O-CE2 3.32Å; D82-Y86 WeakPolarHBondContact O-CE2 3.44Å; D82-Y86 PolarHBondContact O-OH 2.78Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; Y86-G101 CarbonylContact O-C 3.54Å; Y86-G101 VanDerWaalsContact O-CA 3.25Å; Y86-G101 WeakPolarHBondContact O-CA 3.46Å; Y86-T102 PolarHBondContact N-O 2.81Å; Y86-T102 PolarHBondContact O-N 3.36Å; Y86-L104 HydrophobicContact CD2-CB 3.89Å; Y86-L104 HydrophobicContact CD2-CD2 4.35Å; Y86-L104 HydrophobicContact CE2-CB 3.77Å; Y86-L104 HydrophobicContact CE2-CD2 3.7Å; Y86-L104 HydrophobicContact CE2-CG 4.35Å
87	Y	97.4	Very high	90	Very high	45 Å²	45	63 Å²	63	18%	0.176	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	146.6	179.8	-55.7	-87.1	0	0	0	110	W28 V29 Q31 V85 W98	W28-Y87 WeakPolarHBondContact CA-O 3.48Å; V29-Y87 PolarHBondContact N-O 2.79Å; V29-Y87 PolarHBondContact O-N 2.92Å; Q31-Y87 HydrophobicContact CB-CD2 4.42Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 PolarHBondContact OE1-OH 2.9Å; V85-Y87 HydrophobicContact CB-CE2 3.84Å; V85-Y87 HydrophobicContact CG1-CD1 4.42Å; V85-Y87 HydrophobicContact CG1-CD2 4.33Å; V85-Y87 HydrophobicContact CG1-CE1 3.75Å; V85-Y87 HydrophobicContact CG1-CE2 3.67Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.45Å; Y87-W98 HydrophobicContact CG-CE3 4.17Å; Y87-W98 HydrophobicContact CG-CZ3 4.4Å
88	C	96.4	Very high	90	Very high	14 Å²	14	63 Å²	63	10%	0.095	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	145.9	158.6	61.2	0	0	0	0	109.4	C14 M26 H27 W28 G99	C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 2.91Å; C14-C88 WeakPolarHBondContact SG-CB 3.4Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.64Å; M26-C88 HydrophobicContact SD-CB 3.75Å; H27-C88 CarbonylContact O-C 3.52Å; H27-C88 WeakPolarHBondContact O-CA 3.4Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.25Å; W28-C88 HydrophobicContact CH2-CB 4.33Å; W28-C88 HydrophobicContact CZ2-CB 4.49Å; W28-C88 HydrophobicContact CZ3-CB 4.2Å; C88-G99 PolarHBondContact O-N 3.28Å
89	A	95.4	Very high	89.9	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.008	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	140.6	176.6	0	0	0	0	0	110.8	H27 F95 Y97 W98	H27-A89 PolarHBondContact N-O 2.88Å; H27-A89 PolarHBondContact O-N 3.4Å; A89-F95 HydrophobicContact CB-CD1 3.59Å; A89-F95 HydrophobicContact CB-CE1 4.04Å; A89-F95 HydrophobicContact CB-CG 4.44Å; A89-Y97 CarbonylContact C-O 3.58Å; A89-Y97 VanDerWaalsContact CA-O 3.23Å; A89-Y97 WeakPolarHBondContact CA-O 3.15Å; A89-W98 HydrophobicContact CB-CD2 3.73Å; A89-W98 HydrophobicContact CB-CE3 3.98Å; A89-W98 HydrophobicContact CB-CG 4.15Å; A89-W98 HydrophobicContact CB-CH2 4.39Å; A89-W98 HydrophobicContact CB-CZ2 4.17Å; A89-W98 HydrophobicContact CB-CZ3 4.31Å
90	R	92.4	Very high	89.8	Confident	50 Å²	50	69.6 Å²	69.6	19%	0.189	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	138.7	176.6	-174.7	-169.8	71.5	-174.2	-0.5	109.9	Y19 Y24 W25 D96 Y97	Y19-R90 VanDerWaalsContact CD1-NH1 3.28Å; Y19-R90 HydrophobicContact CE2-CG 4.24Å; Y19-R90 VanDerWaalsContact CZ-CD 3.47Å; Y24-R90 VanDerWaalsContact CB-CG 3.47Å; Y24-R90 HydrophobicContact CD1-CG 3.81Å; Y24-R90 HydrophobicContact CD2-CG 4.47Å; Y24-R90 HydrophobicContact CG-CG 3.67Å; W25-R90 WeakPolarHBondContact O-CA 3.35Å; R90-D96 PolarHBondContact O-N 3.16Å; R90-D96 VanDerWaalsContact O-N 3.14Å; R90-Y97 PolarHBondContact N-O 3.21Å
91	S	85.8	Confident	89.9	Confident	14 Å²	14	67.4 Å²	67.4	10%	0.098	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	144.7	172.3	-173	0	0	0	0	113	W25 H27 Y94	W25-S91 PolarHBondContact N-O 2.9Å; W25-S91 PolarHBondContact O-N 2.84Å; H27-S91 WeakPolarHBondContact NE2-CB 3.18Å; S91-Y94 WeakPolarHBondContact CA-O 3.5Å; S91-Y94 WeakPolarHBondContact CB-O 3.16Å; S91-Y94 PolarHBondContact OG-N 3.48Å; S91-Y94 PolarHBondContact OG-O 3.37Å; S91-Y94 VanDerWaalsContact OG-O 3.06Å
92	Q	74.6	Confident	90.1	Very high	96 Å²	96	64 Å²	64	45%	0.449	30%	0.301	S	S	.	.	S	Bend	trans	-114.3	-38	160.2	-157.9	172.9	-7.4	0	0	111.2	Y24	Y24-Q92 HydrophobicContact CD1-CB 3.73Å; Y24-Q92 HydrophobicContact CD1-CG 4.29Å; Y24-Q92 HydrophobicContact CE1-CB 3.73Å; Y24-Q92 HydrophobicContact CE1-CG 4.17Å
93	Y	72.7	Confident	90.2	Very high	190 Å²	190	66.8 Å²	66.8	75%	0.745	32%	0.318	S	S	*	.	S	Bend	trans	-142	-29.4	174.3	-60.3	-75.1	0	0	0	112.1
94	Y	73.6	Confident	90.2	Very high	183 Å²	183	65.1 Å²	65.1	72%	0.718	31%	0.307	S	S	*	.	S	Bend	trans	-137.7	165.8	173.8	-59.5	-77.5	0	0	0	110.2	S91 D96	S91-Y94 WeakPolarHBondContact CA-O 3.5Å; S91-Y94 WeakPolarHBondContact CB-O 3.16Å; S91-Y94 PolarHBondContact OG-N 3.48Å; S91-Y94 PolarHBondContact OG-O 3.37Å; S91-Y94 VanDerWaalsContact OG-O 3.06Å; Y94-D96 VanDerWaalsContact O-CG 3.29Å; Y94-D96 PolarHBondContact O-N 3.07Å
95	F	77.9	Confident	90.2	Very high	87 Å²	87	67.8 Å²	67.8	38%	0.382	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	88	175.5	-70.4	-61.2	0	0	0	111.7	H27 A89 W98	H27-F95 HydrophobicContact CB-CE1 3.56Å; H27-F95 HydrophobicContact CB-CZ 4.2Å; H27-F95 AromaticContact CD2-CE1 3.55Å; H27-F95 AromaticContact CE1-CE1 3.89Å; H27-F95 AromaticContact CG-CE1 3.36Å; H27-F95 AromaticContact CG-CZ 3.98Å; H27-F95 AromaticContact ND1-CE1 3.59Å; H27-F95 AromaticContact ND1-CZ 3.77Å; H27-F95 AromaticContact NE2-CE1 3.89Å; A89-F95 HydrophobicContact CB-CD1 3.59Å; A89-F95 HydrophobicContact CB-CE1 4.04Å; A89-F95 HydrophobicContact CB-CG 4.44Å; F95-W98 HydrophobicContact CB-CZ2 4.04Å; F95-W98 HydrophobicContact CD1-CZ2 4.38Å; F95-W98 HydrophobicContact CD2-CZ2 4.13Å; F95-W98 AromaticContact CG-CZ2 3.94Å; F95-W98 HydrophobicContact CG-CZ2 3.94Å
96	D	80.8	Confident	90.1	Very high	88 Å²	88	66.6 Å²	66.6	47%	0.471	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-26.9	-171.6	-55.3	-35.2	0	0	0	113.2	R90 Y94	R90-D96 PolarHBondContact O-N 3.16Å; R90-D96 VanDerWaalsContact O-N 3.14Å; Y94-D96 VanDerWaalsContact O-CG 3.29Å; Y94-D96 PolarHBondContact O-N 3.07Å
97	Y	88.6	Confident	89.7	Confident	135 Å²	135	68 Å²	68	53%	0.529	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	137.9	-177.2	-173.8	-93.8	0	0	0	112	A89 R90	A89-Y97 CarbonylContact C-O 3.58Å; A89-Y97 VanDerWaalsContact CA-O 3.23Å; A89-Y97 WeakPolarHBondContact CA-O 3.15Å; R90-Y97 PolarHBondContact N-O 3.21Å
98	W	93.8	Very high	88.8	Confident	83 Å²	83	73.9 Å²	73.9	31%	0.314	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.6	179.7	-68	71.3	0	0	0	110.6	V29 L37 Y87 A89 F95	V29-W98 HydrophobicContact CB-CH2 4.14Å; V29-W98 HydrophobicContact CB-CZ3 3.81Å; V29-W98 HydrophobicContact CG1-CH2 4.09Å; V29-W98 HydrophobicContact CG1-CZ3 3.99Å; V29-W98 HydrophobicContact CG2-CH2 3.75Å; V29-W98 HydrophobicContact CG2-CZ3 3.82Å; L37-W98 HydrophobicContact CD1-CH2 3.94Å; L37-W98 HydrophobicContact CD1-CZ3 4.4Å; Y87-W98 HydrophobicContact CG-CE3 4.17Å; Y87-W98 HydrophobicContact CG-CZ3 4.4Å; A89-W98 HydrophobicContact CB-CD2 3.73Å; A89-W98 HydrophobicContact CB-CE3 3.98Å; A89-W98 HydrophobicContact CB-CG 4.15Å; A89-W98 HydrophobicContact CB-CH2 4.39Å; A89-W98 HydrophobicContact CB-CZ2 4.17Å; A89-W98 HydrophobicContact CB-CZ3 4.31Å; F95-W98 HydrophobicContact CB-CZ2 4.04Å; F95-W98 HydrophobicContact CD1-CZ2 4.38Å; F95-W98 HydrophobicContact CD2-CZ2 4.13Å; F95-W98 AromaticContact CG-CZ2 3.94Å; F95-W98 HydrophobicContact CG-CZ2 3.94Å
99	G	93.6	Very high	88.5	Confident	18 Å²	18	76.9 Å²	76.9	19%	0.186	39%	0.387	C	S	.	.			trans	-66.1	161	165.9	0	0	0	0	0	111.3	C88 G101	C88-G99 PolarHBondContact O-N 3.28Å; G99-G101 PolarHBondContact O-N 3.04Å
100	Q	94.1	Very high	88.1	Confident	180 Å²	180	80.8 Å²	80.8	84%	0.841	41%	0.407	S	S	*	.			trans	-62	-16.3	179.9	-66	-65.4	-41.3	0	0	113.8
101	G	95.1	Very high	87.9	Confident	28 Å²	28	82.6 Å²	82.6	29%	0.289	42%	0.419	S	S	.	.			trans	85.4	150.5	-177.3	0	0	0	0	0	112.7	Y86 G99	Y86-G101 CarbonylContact O-C 3.54Å; Y86-G101 VanDerWaalsContact O-CA 3.25Å; Y86-G101 WeakPolarHBondContact O-CA 3.46Å; G99-G101 PolarHBondContact O-N 3.04Å
102	T	96.5	Very high	88	Confident	51 Å²	51	86.6 Å²	86.6	31%	0.313	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.2	175.4	-60.6	0	0	0	0	108.7	L12 Y86 L104	L12-T102 HydrophobicContact CD2-CG2 3.99Å; Y86-T102 PolarHBondContact N-O 2.81Å; Y86-T102 PolarHBondContact O-N 3.36Å; T102-L104 PolarHBondContact O-N 2.98Å
103	T	97	Very high	88.8	Confident	63 Å²	63	86 Å²	86	39%	0.387	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	122.8	170.6	-47	0	0	0	0	109.8	A1 E2	A1-T103 CarbonylContact C-O 3.46Å; A1-T103 WeakPolarHBondContact CA-O 3.28Å; E2-T103 PolarHBondContact N-O 3.24Å
104	L	96.2	Very high	89.9	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.2	169.2	178.4	69.1	0	0	0	108	E2 V4 V10 L75 L78 S83 A84 Y86 T102	E2-L104 HydrophobicContact CB-CD1 4.03Å; E2-L104 HydrophobicContact CG-CD1 4.42Å; V4-L104 HydrophobicContact CG1-CD1 4.12Å; V4-L104 HydrophobicContact CG2-CD1 3.9Å; V10-L104 HydrophobicContact CB-CD1 4.49Å; V10-L104 HydrophobicContact CG1-CD1 4.17Å; V10-L104 HydrophobicContact CG1-CD2 3.84Å; V10-L104 HydrophobicContact CG2-CD1 4.36Å; L75-L104 HydrophobicContact CD1-CD2 4.07Å; L78-L104 HydrophobicContact CD1-CD2 4.21Å; L78-L104 HydrophobicContact CD2-CD2 4.05Å; S83-L104 CarbonylContact C-O 3.56Å; S83-L104 VanDerWaalsContact CA-O 3.25Å; S83-L104 WeakPolarHBondContact CA-O 3.48Å; A84-L104 PolarHBondContact N-O 3.45Å; A84-L104 PolarHBondContact O-N 2.6Å; Y86-L104 HydrophobicContact CD2-CB 3.89Å; Y86-L104 HydrophobicContact CD2-CD2 4.35Å; Y86-L104 HydrophobicContact CE2-CB 3.77Å; Y86-L104 HydrophobicContact CE2-CD2 3.7Å; Y86-L104 HydrophobicContact CE2-CG 4.35Å; T102-L104 PolarHBondContact O-N 2.98Å
105	T	96.4	Very high	91.1	Very high	62 Å²	62	71.6 Å²	71.6	38%	0.38	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125	175.3	-57.5	0	0	0	0	108.2	E2 L3 V4	E2-T105 PolarHBondContact O-N 3.39Å; L3-T105 WeakPolarHBondContact CA-O 3.32Å; L3-T105 HydrophobicContact CD1-CG2 3.84Å; V4-T105 PolarHBondContact N-O 2.68Å
106	V	95.1	Very high	92.1	Very high	7 Å²	7	70.5 Å²	70.5	4%	0.042	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.2	173.5	-171.2	0	0	0	0	107.3	V4 P6 L78 T79 D82 S83	V4-V106 HydrophobicContact CG2-CB 4.3Å; V4-V106 HydrophobicContact CG2-CG1 4.36Å; V4-V106 HydrophobicContact CG2-CG2 3.81Å; V4-V106 CarbonylContact O-C 3.5Å; V4-V106 WeakPolarHBondContact O-CA 3.41Å; P6-V106 HydrophobicContact CG-CG1 4.22Å; L78-V106 HydrophobicContact CB-CG1 4.3Å; L78-V106 HydrophobicContact CB-CG2 3.98Å; L78-V106 HydrophobicContact CD1-CG2 4.46Å; T79-V106 WeakPolarHBondContact O-CB 3.46Å; T79-V106 VanDerWaalsContact O-CG2 3.31Å; T79-V106 WeakPolarHBondContact O-CG2 3.09Å; D82-V106 HydrophobicContact CB-CG2 4.18Å; S83-V106 PolarHBondContact OG-N 3.2Å
107	S	90.5	Very high	93	Very high	33 Å²	33	69 Å²	69	23%	0.231	39%	0.391	C	S	.	.			trans	-62	152.2	177.7	52	0	0	0	0	111	V4 M5 P6	V4-S107 PolarHBondContact O-N 3.47Å; V4-S107 PolarHBondContact O-OG 2.63Å; M5-S107 PolarHBondContact SD-OG 2.96Å; P6-S107 VanDerWaalsContact CD-O 3.29Å; P6-S107 WeakPolarHBondContact CD-O 3.49Å; P6-S107 WeakPolarHBondContact CD-OG 3.41Å; P6-S107 WeakPolarHBondContact CG-O 3.49Å
108	S	79.4	Confident	93.4	Very high	168 Å²	168	63 Å²	63	100%	1.175	38%	0.378	S	S	*	.			trans	-83.1	0	175.4	59	0	0	0	0	111.9

Retrieved 108 of 108 residues in 22 ms (Link to these results)

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