X5J4I6_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4I6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 aa.

						>X5J4I6_MOUSE|X5J4I6
AELARPGASVKLSCKASGYTFTSYWMQWVKQRPGQGLEWIGAIYPGDGDTRYTQKFKGKATLTADKSSSTAYMQLSSLASEDSAVYYCAVYYDYEGAWFAYWGQGTLVTVSA
					

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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	80.2	Confident	93.2	Very high	99 Å²	99	81.1 Å²	81.1	82%	0.818	47%	0.472	S	S	*	.				0	139	0	0	0	0	0	0	106.9	L107	A1-L107 CarbonylContact C-O 3.47Å; A1-L107 WeakPolarHBondContact CA-O 3.44Å; A1-L107 HydrophobicContact CB-CB 4.05Å
2	E	89.1	Confident	93.6	Very high	94 Å²	94	74.8 Å²	74.8	44%	0.439	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.3	-174.9	-60.5	-56.4	158.6	0	0	110.7	V10 L12 T106 L107 V108 T109	E2-V10 HydrophobicContact CB-CG2 3.89Å; E2-V10 HydrophobicContact CG-CG2 3.89Å; E2-L12 HydrophobicContact CG-CD2 4.2Å; E2-T106 HydrophobicContact CG-CG2 4.28Å; E2-L107 PolarHBondContact N-O 3.38Å; E2-V108 HydrophobicContact CB-CG2 4.33Å; E2-V108 CarbonylContact O-C 3.38Å; E2-V108 WeakPolarHBondContact O-CA 3.45Å; E2-T109 PolarHBondContact O-N 3.47Å
3	L	92.4	Very high	93.9	Very high	132 Å²	132	75.1 Å²	75.1	69%	0.691	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.3	173.9	-177.9	64.5	0	0	0	108.8	T109	L3-T109 HydrophobicContact CD1-CG2 4.03Å
4	A	93.3	Very high	94	Very high	12 Å²	12	70.8 Å²	70.8	10%	0.099	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	151.1	-178.4	0	0	0	0	0	111.3	L78 T109 V110 S111	A4-L78 HydrophobicContact CB-CD1 3.5Å; A4-T109 PolarHBondContact N-O 2.65Å; A4-V110 VanDerWaalsContact O-CA 3.3Å; A4-V110 WeakPolarHBondContact O-CA 3.34Å; A4-S111 PolarHBondContact O-N 3.3Å; A4-S111 VanDerWaalsContact O-N 3.08Å
5	R	94.4	Very high	94	Very high	184 Å²	184	76.8 Å²	76.8	69%	0.694	44%	0.438	S	S	*	.			trans	-86	153.7	170.3	-66	-176.4	-178.1	-177.2	0.3	110.4	G7 A8	R5-G7 PolarHBondContact O-N 3.28Å; R5-A8 WeakPolarHBondContact O-CB 3.46Å; R5-A8 PolarHBondContact O-N 3.01Å; R5-A8 VanDerWaalsContact O-N 3.09Å
6	P	95.6	Very high	93.9	Very high	76 Å²	76	72.8 Å²	72.8	49%	0.494	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	138.7	170	-25.8	34.2	0	0	0	111.9	A8 L78 V110 S111	P6-A8 PolarHBondContact O-N 3.23Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.28Å; P6-V110 HydrophobicContact CG-CG1 4.21Å; P6-S111 WeakPolarHBondContact CD-O 3.41Å
7	G	94.3	Very high	93.5	Very high	55 Å²	55	74.4 Å²	74.4	57%	0.567	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	-14	-176.6	0	0	0	0	0	115	R5 L78	R5-G7 PolarHBondContact O-N 3.28Å; G7-L78 PolarHBondContact N-O 3.16Å
8	A	95.8	Very high	93	Very high	38 Å²	38	75.2 Å²	75.2	31%	0.314	46%	0.461	S	S	.	.			trans	-70.2	170.2	176.4	0	0	0	0	0	111.9	R5 P6 S77 L78	R5-A8 WeakPolarHBondContact O-CB 3.46Å; R5-A8 PolarHBondContact O-N 3.01Å; R5-A8 VanDerWaalsContact O-N 3.09Å; P6-A8 PolarHBondContact O-N 3.23Å; A8-S77 PolarHBondContact O-N 2.85Å; A8-L78 WeakPolarHBondContact O-CB 3.38Å; A8-L78 WeakPolarHBondContact O-CG 3.03Å; A8-L78 PolarHBondContact O-N 2.85Å
9	S	96.4	Very high	92.5	Very high	67 Å²	67	73.5 Å²	73.5	47%	0.469	45%	0.446	S	S	.	.			trans	-114.8	147	170	-58.5	0	0	0	0	110.2	L75	S9-L75 CarbonylContact C-O 3.56Å; S9-L75 WeakPolarHBondContact CA-O 2.98Å; S9-L75 WeakPolarHBondContact CB-O 3.4Å
10	V	96.8	Very high	92.4	Very high	14 Å²	14	74.3 Å²	74.3	9%	0.085	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.9	172.3	68.7	0	0	0	0	109.5	E2 L12 Q74 L75 L78 V108	E2-V10 HydrophobicContact CB-CG2 3.89Å; E2-V10 HydrophobicContact CG-CG2 3.89Å; V10-L12 HydrophobicContact CG2-CD2 4.19Å; V10-Q74 CarbonylContact O-C 3.4Å; V10-Q74 WeakPolarHBondContact O-CA 3Å; V10-L75 HydrophobicContact CG1-CB 4.05Å; V10-L75 HydrophobicContact CG1-CD1 4.27Å; V10-L75 PolarHBondContact N-O 2.91Å; V10-L75 PolarHBondContact O-N 2.98Å; V10-L78 HydrophobicContact CB-CD1 4.02Å; V10-L78 HydrophobicContact CG1-CD1 3.86Å; V10-L78 HydrophobicContact CG1-CD2 4.33Å; V10-V108 HydrophobicContact CG1-CG1 4.26Å; V10-V108 HydrophobicContact CG1-CG2 4.46Å
11	K	97.3	Very high	92.3	Very high	121 Å²	121	71 Å²	71	53%	0.526	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	115.3	174.5	-173.6	178.1	179.7	-177.8	0	109.3	Y72	K11-Y72 HydrophobicContact CD-CD1 4.42Å; K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; K11-Y72 HydrophobicContact CG-CD1 4.43Å
12	L	97.5	Very high	92.9	Very high	6 Å²	6	68.7 Å²	68.7	3%	0.031	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	146.2	174.8	-58.3	-178.5	0	0	0	109.5	E2 V10 W28 Y72 M73 Y86 T106 V108	E2-L12 HydrophobicContact CG-CD2 4.2Å; V10-L12 HydrophobicContact CG2-CD2 4.19Å; L12-W28 HydrophobicContact CB-CH2 4.06Å; L12-W28 HydrophobicContact CB-CZ3 3.93Å; L12-W28 HydrophobicContact CD1-CZ3 4.5Å; L12-Y72 CarbonylContact O-C 3.56Å; L12-Y72 WeakPolarHBondContact O-CA 3.27Å; L12-M73 HydrophobicContact CD1-CE 3.71Å; L12-M73 PolarHBondContact N-O 2.89Å; L12-M73 PolarHBondContact O-N 2.84Å; L12-Y86 VanDerWaalsContact CD1-CB 3.46Å; L12-Y86 HydrophobicContact CD1-CD1 4.41Å; L12-Y86 HydrophobicContact CD1-CD2 4.21Å; L12-Y86 HydrophobicContact CD1-CG 3.78Å; L12-T106 HydrophobicContact CD2-CG2 3.86Å; L12-V108 HydrophobicContact CD1-CG2 4.13Å; L12-V108 HydrophobicContact CD2-CG2 3.97Å
13	S	97.1	Very high	93	Very high	78 Å²	78	67 Å²	67	55%	0.545	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	149.3	176.2	63.2	0	0	0	0	111	A71	S13-A71 CarbonylContact C-O 3.56Å; S13-A71 WeakPolarHBondContact CA-O 3.45Å
14	C	95.8	Very high	92.8	Very high	15 Å²	15	63.6 Å²	63.6	10%	0.101	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	108.5	174.3	-179.8	0	0	0	0	108.9	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.86Å; C14-W28 HydrophobicContact CB-CZ2 4Å; C14-T70 WeakPolarHBondContact O-CA 3.45Å; C14-A71 PolarHBondContact N-O 2.81Å; C14-A71 PolarHBondContact O-N 2.76Å; C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.48Å; C14-C88 WeakPolarHBondContact SG-CB 3.44Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.05Å
15	K	94.9	Very high	92.8	Very high	161 Å²	161	65.2 Å²	65.2	70%	0.7	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	122.3	179	-173.6	172.7	-177	178.4	0	109.9
16	A	91.3	Very high	92.8	Very high	12 Å²	12	56.6 Å²	56.6	10%	0.099	35%	0.354	C	S	.	.			trans	-74.2	147.4	175.2	0	0	0	0	0	111.4	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 4.12Å; A16-Y19 HydrophobicContact CB-CE2 3.9Å; A16-Y19 VanDerWaalsContact CB-CZ 3.47Å; A16-Y19 WeakPolarHBondContact CB-OH 3.24Å; A16-F21 HydrophobicContact CB-CB 3.99Å; A16-F21 HydrophobicContact CB-CD2 3.41Å; A16-F21 VanDerWaalsContact CB-CD2 3.41Å; A16-F21 HydrophobicContact CB-CE2 4.17Å; A16-F21 HydrophobicContact CB-CG 3.98Å; A16-S69 WeakPolarHBondContact CB-O 3.25Å; A16-S69 PolarHBondContact N-O 3.45Å
17	S	87.7	Confident	92.8	Very high	100 Å²	100	53.9 Å²	53.9	70%	0.699	34%	0.335	S	S	*	.			trans	-150.4	147.2	172.2	63.5	0	0	0	0	109.8	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.32Å; S17-Y19 WeakPolarHBondContact O-CE1 3.34Å; S17-Y19 PolarHBondContact O-N 2.81Å
18	G	84.7	Confident	92.9	Very high	90 Å²	90	51.5 Å²	51.5	93%	0.928	31%	0.309	S	S	*	.	S	Bend	trans	82.2	4.7	175.5	0	0	0	0	0	116.3
19	Y	83.6	Confident	92.9	Very high	43 Å²	43	50 Å²	50	17%	0.169	30%	0.295	C	S	.	.	S	Bend	trans	-154.7	165	176.3	61	-90.5	0	0	0	112.2	A16 S17 F21 Y24 M26 V90 Y92	A16-Y19 HydrophobicContact CB-CE1 4.12Å; A16-Y19 HydrophobicContact CB-CE2 3.9Å; A16-Y19 VanDerWaalsContact CB-CZ 3.47Å; A16-Y19 WeakPolarHBondContact CB-OH 3.24Å; S17-Y19 WeakPolarHBondContact O-CD1 3.32Å; S17-Y19 WeakPolarHBondContact O-CE1 3.34Å; S17-Y19 PolarHBondContact O-N 2.81Å; Y19-F21 HydrophobicContact CE2-CD2 4.46Å; Y19-F21 PolarHBondContact O-N 3.01Å; Y19-Y24 AromaticContact CD2-CD2 3.56Å; Y19-Y24 HydrophobicContact CD2-CD2 3.56Å; Y19-Y24 HydrophobicContact CD2-CE2 4.13Å; Y19-Y24 HydrophobicContact CD2-CG 4.41Å; Y19-Y24 HydrophobicContact CE2-CD2 4.25Å; Y19-Y24 HydrophobicContact CG-CD2 4.32Å; Y19-M26 VanDerWaalsContact OH-CE 3.26Å; Y19-M26 WeakPolarHBondContact OH-CE 3.09Å; Y19-V90 HydrophobicContact CE1-CG1 4.46Å; Y19-V90 HydrophobicContact CE1-CG2 3.69Å; Y19-V90 HydrophobicContact CE2-CG1 4.11Å; Y19-V90 HydrophobicContact CE2-CG2 4.24Å; Y19-V90 VanDerWaalsContact CZ-CG2 3.4Å; Y19-V90 WeakPolarHBondContact OH-CG2 3.19Å; Y19-Y92 VanDerWaalsContact CB-OH 3.27Å; Y19-Y92 WeakPolarHBondContact CB-OH 3.47Å
20	T	89.7	Confident	92.9	Very high	88 Å²	88	46.8 Å²	46.8	54%	0.54	27%	0.273	S	S	.	.			trans	-70.2	97.1	174.6	-51.3	0	0	0	0	110.4	T22 S23 Y24	T20-T22 PolarHBondContact O-N 2.96Å; T20-S23 WeakPolarHBondContact CG2-OG 3.13Å; T20-S23 WeakPolarHBondContact O-CB 3.5Å; T20-S23 PolarHBondContact O-N 2.92Å; T20-Y24 VanDerWaalsContact O-CD2 3.3Å; T20-Y24 WeakPolarHBondContact O-CD2 3.43Å
21	F	91.1	Very high	92.9	Very high	7 Å²	7	49.4 Å²	49.4	3%	0.031	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-51.2	-34.8	-174.7	175.6	-118.7	0	0	0	114.4	A16 Y19 S23 M26 P45 A64 S69 A71	A16-F21 HydrophobicContact CB-CB 3.99Å; A16-F21 HydrophobicContact CB-CD2 3.41Å; A16-F21 VanDerWaalsContact CB-CD2 3.41Å; A16-F21 HydrophobicContact CB-CE2 4.17Å; A16-F21 HydrophobicContact CB-CG 3.98Å; Y19-F21 HydrophobicContact CE2-CD2 4.46Å; Y19-F21 PolarHBondContact O-N 3.01Å; F21-S23 VanDerWaalsContact C-N 3.26Å; F21-S23 PolarHBondContact O-N 3.08Å; F21-M26 HydrophobicContact CD2-CE 4.41Å; F21-M26 HydrophobicContact CE2-CE 3.97Å; F21-P45 HydrophobicContact CD1-CB 3.86Å; F21-P45 HydrophobicContact CD1-CG 4.2Å; F21-P45 HydrophobicContact CD2-CG 4.06Å; F21-P45 HydrophobicContact CE1-CB 3.49Å; F21-P45 VanDerWaalsContact CE1-CB 3.49Å; F21-P45 HydrophobicContact CE1-CG 3.76Å; F21-P45 HydrophobicContact CE2-CB 4.28Å; F21-P45 HydrophobicContact CE2-CG 3.6Å; F21-P45 HydrophobicContact CG-CB 4.42Å; F21-P45 HydrophobicContact CG-CG 4.36Å; F21-P45 HydrophobicContact CZ-CB 3.73Å; F21-P45 HydrophobicContact CZ-CG 3.44Å; F21-P45 VanDerWaalsContact CZ-CG 3.44Å; F21-P45 WeakPolarHBondContact O-CG 3.48Å; F21-A64 HydrophobicContact CE1-CB 4.06Å; F21-A64 HydrophobicContact CZ-CB 3.94Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; F21-A71 HydrophobicContact CE2-CB 4.13Å; F21-A71 HydrophobicContact CZ-CB 3.96Å
22	T	93.1	Very high	92.8	Very high	50 Å²	50	45.8 Å²	45.8	31%	0.307	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-79.1	-2.4	-178.3	53.6	0	0	0	0	114.7	T20 G46 K66	T20-T22 PolarHBondContact O-N 2.96Å; T22-G46 WeakPolarHBondContact O-CA 3.33Å; T22-G46 PolarHBondContact O-N 3.18Å; T22-K66 HydrophobicContact CG2-CB 4.21Å; T22-K66 HydrophobicContact CG2-CD 4.04Å; T22-K66 HydrophobicContact CG2-CG 4.04Å
23	S	90.3	Very high	92.4	Very high	58 Å²	58	51.1 Å²	51.1	41%	0.406	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-105.4	-1.5	-177	-59.2	0	0	0	0	113.8	T20 F21	T20-S23 WeakPolarHBondContact CG2-OG 3.13Å; T20-S23 WeakPolarHBondContact O-CB 3.5Å; T20-S23 PolarHBondContact O-N 2.92Å; F21-S23 VanDerWaalsContact C-N 3.26Å; F21-S23 PolarHBondContact O-N 3.08Å
24	Y	88.7	Confident	92.2	Very high	61 Å²	61	51.8 Å²	51.8	24%	0.239	32%	0.322	C	S	.	.	S	Bend	trans	-135.2	150.2	-173.6	-60.5	-78.1	0	0	0	112.5	Y19 T20 M26 P45 V90 Y92	Y19-Y24 AromaticContact CD2-CD2 3.56Å; Y19-Y24 HydrophobicContact CD2-CD2 3.56Å; Y19-Y24 HydrophobicContact CD2-CE2 4.13Å; Y19-Y24 HydrophobicContact CD2-CG 4.41Å; Y19-Y24 HydrophobicContact CE2-CD2 4.25Å; Y19-Y24 HydrophobicContact CG-CD2 4.32Å; T20-Y24 VanDerWaalsContact O-CD2 3.3Å; T20-Y24 WeakPolarHBondContact O-CD2 3.43Å; Y24-M26 PolarHBondContact O-N 3.34Å; Y24-P45 WeakPolarHBondContact O-CD 3.29Å; Y24-V90 HydrophobicContact CG-CG1 4.18Å; Y24-Y92 AromaticContact CD1-CD1 3.78Å; Y24-Y92 HydrophobicContact CD1-CD1 3.78Å; Y24-Y92 HydrophobicContact CD1-CD2 4.45Å; Y24-Y92 AromaticContact CD1-CE1 3.92Å; Y24-Y92 HydrophobicContact CD1-CE1 3.92Å; Y24-Y92 HydrophobicContact CD1-CG 4.06Å; Y24-Y92 AromaticContact CE1-CD1 3.13Å; Y24-Y92 HydrophobicContact CE1-CD1 3.13Å; Y24-Y92 AromaticContact CE1-CE1 3.27Å; Y24-Y92 HydrophobicContact CE1-CE1 3.27Å; Y24-Y92 AromaticContact CE1-CG 3.84Å; Y24-Y92 HydrophobicContact CE1-CG 3.84Å; Y24-Y92 AromaticContact CE2-CE1 3.94Å; Y24-Y92 HydrophobicContact CE2-CE1 3.94Å; Y24-Y92 HydrophobicContact CG-CE1 4.49Å; Y24-Y92 AromaticContact CZ-CD1 3.62Å; Y24-Y92 AromaticContact CZ-CE1 3.25Å; Y24-Y92 WeakPolarHBondContact OH-CE1 3.47Å
25	W	92.5	Very high	92	Very high	45 Å²	45	56.1 Å²	56.1	17%	0.17	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	126.9	172.7	-75	88.3	0	0	0	110.7	Q27 A42 Y44 D49 R51 Y91	W25-Q27 VanDerWaalsContact CB-NE2 3.32Å; W25-A42 HydrophobicContact CE3-CB 3.61Å; W25-A42 HydrophobicContact CZ3-CB 4.14Å; W25-Y44 AromaticContact CD1-CD2 3.65Å; W25-Y44 HydrophobicContact CD2-CD2 4.02Å; W25-Y44 HydrophobicContact CD2-CG 4.32Å; W25-Y44 AromaticContact CE2-CD2 3.89Å; W25-Y44 AromaticContact CG-CD2 3.89Å; W25-Y44 HydrophobicContact CG-CD2 3.89Å; W25-Y44 HydrophobicContact CZ2-CG 4.32Å; W25-Y44 AromaticContact NE1-CD2 3.62Å; W25-D49 HydrophobicContact CH2-CB 3.93Å; W25-D49 VanDerWaalsContact CH2-OD2 3.3Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.36Å; W25-R51 HydrophobicContact CH2-CG 4.01Å; W25-R51 HydrophobicContact CZ3-CG 4.11Å; W25-Y91 PolarHBondContact O-N 3.26Å; W25-Y91 VanDerWaalsContact O-N 3.16Å
26	M	94.3	Very high	91.9	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.015	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	117.6	167.4	-174.7	64.1	67.8	0	0	109.4	Y19 F21 Y24 A42 I43 A71 C88 V90	Y19-M26 VanDerWaalsContact OH-CE 3.26Å; Y19-M26 WeakPolarHBondContact OH-CE 3.09Å; F21-M26 HydrophobicContact CD2-CE 4.41Å; F21-M26 HydrophobicContact CE2-CE 3.97Å; Y24-M26 PolarHBondContact O-N 3.34Å; M26-A42 CarbonylContact O-C 3.35Å; M26-A42 WeakPolarHBondContact O-CA 3.34Å; M26-A42 WeakPolarHBondContact O-CB 3.42Å; M26-I43 HydrophobicContact CB-CG2 3.99Å; M26-I43 PolarHBondContact N-O 2.8Å; M26-I43 PolarHBondContact O-N 2.92Å; M26-A71 HydrophobicContact CB-CB 4.13Å; M26-A71 HydrophobicContact CG-CB 3.64Å; M26-C88 HydrophobicContact SD-CB 3.8Å; M26-V90 HydrophobicContact CE-CG2 4.28Å
27	Q	95.1	Very high	92.1	Very high	19 Å²	19	55.4 Å²	55.4	9%	0.089	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	142.8	-176.4	-53	-72.6	-30.6	0	0	109.4	W25 C88 A89 F99	W25-Q27 VanDerWaalsContact CB-NE2 3.32Å; Q27-C88 CarbonylContact O-C 3.51Å; Q27-C88 WeakPolarHBondContact O-CA 3.4Å; Q27-A89 HydrophobicContact CB-CB 4.35Å; Q27-A89 VanDerWaalsContact CB-O 3.31Å; Q27-A89 WeakPolarHBondContact CB-O 3.45Å; Q27-A89 PolarHBondContact N-O 2.87Å; Q27-A89 PolarHBondContact O-N 3.35Å; Q27-F99 HydrophobicContact CB-CD1 4.19Å; Q27-F99 HydrophobicContact CB-CE1 3.69Å; Q27-F99 HydrophobicContact CG-CD1 4.02Å; Q27-F99 HydrophobicContact CG-CE1 3.6Å
28	W	96.9	Very high	92.4	Very high	6 Å²	6	53 Å²	53	2%	0.023	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132	174.5	-70.4	90.8	0	0	0	110.3	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.06Å; L12-W28 HydrophobicContact CB-CZ3 3.93Å; L12-W28 HydrophobicContact CD1-CZ3 4.5Å; C14-W28 HydrophobicContact CB-CH2 3.86Å; C14-W28 HydrophobicContact CB-CZ2 4Å; W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.36Å; W28-I40 WeakPolarHBondContact O-CB 3.5Å; W28-I40 PolarHBondContact O-N 2.91Å; W28-G41 PolarHBondContact N-O 3.37Å; W28-L62 HydrophobicContact CG-CD2 4.06Å; W28-A71 HydrophobicContact CZ2-CB 4.32Å; W28-M73 HydrophobicContact CB-SD 3.97Å; W28-M73 HydrophobicContact CD2-CB 3.67Å; W28-M73 HydrophobicContact CD2-CE 4.33Å; W28-M73 HydrophobicContact CD2-CG 4.47Å; W28-M73 HydrophobicContact CD2-SD 4.1Å; W28-M73 HydrophobicContact CE3-CB 3.86Å; W28-M73 HydrophobicContact CE3-CE 3.73Å; W28-M73 HydrophobicContact CE3-SD 4.11Å; W28-M73 HydrophobicContact CG-CB 4.24Å; W28-M73 HydrophobicContact CG-SD 4.07Å; W28-M73 HydrophobicContact CH2-CB 4.01Å; W28-M73 HydrophobicContact CZ2-CB 3.84Å; W28-M73 HydrophobicContact CZ3-CB 4.02Å; W28-M73 HydrophobicContact CZ3-CE 4.22Å; W28-Y87 WeakPolarHBondContact CA-O 3.34Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.28Å; W28-C88 HydrophobicContact CH2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.25Å
29	V	96.5	Very high	92.9	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.03	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	138.8	-172.5	-176.4	0	0	0	0	109.6	L37 E38 Y86 Y87 W102	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.94Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; V29-E38 CarbonylContact C-O 3.6Å; V29-E38 WeakPolarHBondContact CA-O 3.3Å; V29-Y86 CarbonylContact O-C 3.6Å; V29-Y86 WeakPolarHBondContact O-CA 3.42Å; V29-Y87 PolarHBondContact N-O 2.69Å; V29-Y87 PolarHBondContact O-N 2.87Å; V29-W102 HydrophobicContact CB-CH2 4.12Å; V29-W102 HydrophobicContact CB-CZ3 3.93Å; V29-W102 HydrophobicContact CG1-CH2 4.12Å; V29-W102 HydrophobicContact CG1-CZ3 4.15Å; V29-W102 HydrophobicContact CG2-CH2 3.81Å; V29-W102 HydrophobicContact CG2-CZ3 4Å
30	K	96.1	Very high	93.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.4	175.8	-176.4	178.6	179.8	175	0	109.7	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.38Å; K30-E38 PolarHBondContact N-O 3.29Å; K30-E38 PolarHBondContact O-N 3.31Å; K30-I40 HydrophobicContact CB-CD1 3.99Å; K30-I40 HydrophobicContact CB-CG1 4.08Å; K30-F56 HydrophobicContact CD-CE1 4.33Å; K30-F56 HydrophobicContact CD-CZ 3.82Å; K30-E81 PolarHBondContact NZ-O 3.26Å; K30-D82 IonicContact NZ-OD1 2.92Å; K30-D82 PolarHBondContact NZ-OD1 2.92Å; K30-A84 HydrophobicContact CD-CB 4.13Å; K30-A84 HydrophobicContact CG-CB 3.5Å; K30-A84 VanDerWaalsContact CG-CB 3.5Å; K30-Y86 HydrophobicContact CB-CD1 4.17Å; K30-Y86 HydrophobicContact CB-CE1 3.95Å; K30-Y86 HydrophobicContact CD-CE1 3.87Å; K30-Y86 WeakPolarHBondContact CE-OH 3.44Å; K30-Y86 HydrophobicContact CG-CD1 4.26Å; K30-Y86 HydrophobicContact CG-CE1 3.73Å
31	Q	96.6	Very high	93.9	Very high	69 Å²	69	46.5 Å²	46.5	32%	0.322	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	117.9	170	-165.6	-178.9	28.6	0	0	110.4	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.91Å; Q31-L37 HydrophobicContact CG-CD2 3.99Å; Q31-A84 WeakPolarHBondContact O-CA 3.31Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.36Å; Q31-V85 PolarHBondContact N-O 3.04Å; Q31-V85 PolarHBondContact O-N 2.88Å; Q31-Y87 HydrophobicContact CB-CD2 4.38Å; Q31-Y87 HydrophobicContact CB-CE2 3.77Å; Q31-Y87 PolarHBondContact OE1-OH 2.96Å
32	R	94.6	Very high	94.1	Very high	45 Å²	45	46.2 Å²	46.2	17%	0.17	27%	0.27	C	S	.	.			trans	-89.1	150.5	171.5	-70.4	171	175.8	160.9	-4.8	110.1	G34 Q35 E81 A84	R32-G34 PolarHBondContact O-N 3.09Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.05Å; R32-Q35 VanDerWaalsContact CD-OE1 3.25Å; R32-Q35 PolarHBondContact O-N 3.49Å; R32-E81 PolarHBondContact NE-O 2.85Å; R32-E81 PolarHBondContact NH2-O 3.12Å; R32-A84 HydrophobicContact CG-CB 4.04Å
33	P	90.7	Very high	94.3	Very high	118 Å²	118	44.1 Å²	44.1	77%	0.766	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	126.5	173.4	-25.1	34.3	0	0	0	111.3	Q35	P33-Q35 PolarHBondContact O-N 3.12Å
34	G	91.6	Very high	94.5	Very high	93 Å²	93	44.3 Å²	44.3	96%	0.959	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	6.5	-179.8	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 3.09Å
35	Q	92.9	Very high	94.8	Very high	105 Å²	105	41.5 Å²	41.5	49%	0.491	24%	0.238	S	C	.	.	S	Bend	trans	-115.3	159.8	175.7	-56.5	-174.4	14.5	0	0	111.2	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.05Å; R32-Q35 VanDerWaalsContact CD-OE1 3.25Å; R32-Q35 PolarHBondContact O-N 3.49Å; P33-Q35 PolarHBondContact O-N 3.12Å
36	G	92.6	Very high	94.9	Very high	59 Å²	59	40.5 Å²	40.5	61%	0.608	24%	0.243	S	C	*	.			trans	-67.5	174.9	173.6	0	0	0	0	0	113.2
37	L	94.1	Very high	95	Very high	99 Å²	99	45.7 Å²	45.7	52%	0.518	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	128.7	172.8	-64.5	175.9	0	0	0	110.3	V29 Q31 W102	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.94Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; Q31-L37 HydrophobicContact CB-CD2 3.91Å; Q31-L37 HydrophobicContact CG-CD2 3.99Å; L37-W102 HydrophobicContact CD1-CH2 3.87Å; L37-W102 HydrophobicContact CD1-CZ2 4.42Å; L37-W102 HydrophobicContact CD1-CZ3 4.48Å
38	E	95.4	Very high	95	Very high	50 Å²	50	46.8 Å²	46.8	23%	0.234	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	114.1	176.6	-179.4	174.7	-149.6	0	0	109.2	V29 K30 I40 K55 F56	V29-E38 CarbonylContact C-O 3.6Å; V29-E38 WeakPolarHBondContact CA-O 3.3Å; K30-E38 HydrophobicContact CB-CB 4.38Å; K30-E38 PolarHBondContact N-O 3.29Å; K30-E38 PolarHBondContact O-N 3.31Å; E38-I40 PolarHBondContact O-N 3.49Å; E38-K55 WeakPolarHBondContact OE1-CD 3.41Å; E38-K55 WeakPolarHBondContact OE1-CE 2.92Å; E38-K55 IonicContact OE1-NZ 2.88Å; E38-K55 PolarHBondContact OE1-NZ 3.27Å; E38-K55 IonicContact OE2-NZ 3.26Å; E38-K55 PolarHBondContact OE2-NZ 3.46Å; E38-F56 HydrophobicContact CG-CE2 4.03Å
39	W	95.3	Very high	94.9	Very high	85 Å²	85	49.8 Å²	49.8	32%	0.322	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	127.8	176.7	-175.1	74.7	0	0	0	110.5	G41 A42 R51 T53	W39-G41 PolarHBondContact NE1-O 2.81Å; W39-A42 HydrophobicContact CZ2-CB 3.84Å; W39-R51 HydrophobicContact CH2-CB 3.93Å; W39-R51 HydrophobicContact CZ2-CB 4.48Å; W39-T53 HydrophobicContact CD2-CG2 4.34Å; W39-T53 HydrophobicContact CE3-CG2 3.28Å; W39-T53 HydrophobicContact CZ3-CG2 3.71Å; W39-T53 WeakPolarHBondContact O-CG2 3.39Å; W39-T53 PolarHBondContact O-OG1 2.88Å
40	I	96.8	Very high	95	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-50.5	-178.8	-60.8	175.9	0	0	0	109.5	W28 K30 E38 Y52 T53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.36Å; W28-I40 WeakPolarHBondContact O-CB 3.5Å; W28-I40 PolarHBondContact O-N 2.91Å; K30-I40 HydrophobicContact CB-CD1 3.99Å; K30-I40 HydrophobicContact CB-CG1 4.08Å; E38-I40 PolarHBondContact O-N 3.49Å; I40-Y52 WeakPolarHBondContact O-CA 3.07Å; I40-T53 PolarHBondContact O-N 3.35Å; I40-F56 HydrophobicContact CB-CD2 4.2Å; I40-F56 HydrophobicContact CB-CE2 4.5Å; I40-F56 HydrophobicContact CB-CG 4.25Å; I40-F56 HydrophobicContact CG1-CD1 4.39Å; I40-F56 HydrophobicContact CG1-CD2 4.2Å; I40-F56 HydrophobicContact CG1-CE1 4.2Å; I40-F56 HydrophobicContact CG1-CE2 4.01Å; I40-F56 HydrophobicContact CG1-CG 4.39Å; I40-F56 HydrophobicContact CG1-CZ 4Å; I40-F56 HydrophobicContact CG2-CB 3.71Å; I40-F56 HydrophobicContact CG2-CD1 3.84Å; I40-F56 HydrophobicContact CG2-CD2 4.07Å; I40-F56 HydrophobicContact CG2-CE1 4.46Å; I40-F56 HydrophobicContact CG2-CG 3.61Å; I40-A60 HydrophobicContact CG2-CB 3.93Å; I40-M73 HydrophobicContact CD1-CE 3.86Å; I40-M73 HydrophobicContact CD1-SD 3.64Å; I40-M73 HydrophobicContact CG2-SD 3.91Å; I40-Y86 HydrophobicContact CD1-CD1 3.68Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å
41	G	96.4	Very high	95	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.8	179.4	-168.7	0	0	0	0	0	112	W28 W39 R51	W28-G41 PolarHBondContact N-O 3.37Å; W39-G41 PolarHBondContact NE1-O 2.81Å; G41-R51 CarbonylContact C-O 3.53Å; G41-R51 WeakPolarHBondContact CA-O 3.05Å
42	A	95.9	Very high	95	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.008	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	155	176.8	0	0	0	0	0	111.5	W25 M26 W39 T50 R51 L62	W25-A42 HydrophobicContact CE3-CB 3.61Å; W25-A42 HydrophobicContact CZ3-CB 4.14Å; M26-A42 CarbonylContact O-C 3.35Å; M26-A42 WeakPolarHBondContact O-CA 3.34Å; M26-A42 WeakPolarHBondContact O-CB 3.42Å; W39-A42 HydrophobicContact CZ2-CB 3.84Å; A42-T50 CarbonylContact O-C 3.55Å; A42-T50 VanDerWaalsContact O-CA 3.3Å; A42-T50 WeakPolarHBondContact O-CA 3.24Å; A42-R51 PolarHBondContact N-O 3.02Å; A42-R51 PolarHBondContact O-N 2.89Å; A42-L62 VanDerWaalsContact C-CD1 3.5Å; A42-L62 WeakPolarHBondContact O-CD1 3.43Å
43	I	96.4	Very high	95	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.031	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.8	171	-178	165.8	0	0	0	109.6	M26 P45 D49 T50 L62 T63 A64 A71	M26-I43 HydrophobicContact CB-CG2 3.99Å; M26-I43 PolarHBondContact N-O 2.8Å; M26-I43 PolarHBondContact O-N 2.92Å; I43-P45 WeakPolarHBondContact O-CD 3.33Å; I43-D49 CarbonylContact C-O 3.58Å; I43-D49 VanDerWaalsContact CA-O 3.32Å; I43-D49 WeakPolarHBondContact CA-O 3.21Å; I43-T50 HydrophobicContact CB-CG2 4.01Å; I43-T50 HydrophobicContact CD1-CG2 3.96Å; I43-T50 HydrophobicContact CG1-CG2 3.84Å; I43-L62 HydrophobicContact CB-CB 4.06Å; I43-L62 HydrophobicContact CD1-CB 4.46Å; I43-L62 HydrophobicContact CG2-CB 4.38Å; I43-T63 VanDerWaalsContact CD1-C 3.44Å; I43-A64 HydrophobicContact CD1-CB 3.84Å; I43-A64 HydrophobicContact CG1-CB 4.5Å; I43-A71 HydrophobicContact CG2-CB 4.43Å
44	Y	95.6	Very high	95.2	Very high	61 Å²	61	60.2 Å²	60.2	24%	0.239	34%	0.341	C	S	.	.			trans	-95.5	105.7	167.9	-168.3	-111.8	0	0	0	109	W25 G46 D47 G48 D49	W25-Y44 AromaticContact CD1-CD2 3.65Å; W25-Y44 HydrophobicContact CD2-CD2 4.02Å; W25-Y44 HydrophobicContact CD2-CG 4.32Å; W25-Y44 AromaticContact CE2-CD2 3.89Å; W25-Y44 AromaticContact CG-CD2 3.89Å; W25-Y44 HydrophobicContact CG-CD2 3.89Å; W25-Y44 HydrophobicContact CZ2-CG 4.32Å; W25-Y44 AromaticContact NE1-CD2 3.62Å; Y44-G46 PolarHBondContact O-N 2.85Å; Y44-G46 VanDerWaalsContact O-N 3.11Å; Y44-D47 WeakPolarHBondContact CD1-OD1 3.16Å; Y44-G48 VanDerWaalsContact O-CA 3.3Å; Y44-G48 WeakPolarHBondContact O-CA 3.46Å; Y44-G48 PolarHBondContact O-N 3.13Å; Y44-D49 PolarHBondContact N-O 3.08Å
45	P	95.4	Very high	95.2	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.013	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.7	-174.4	-21.3	35.2	0	0	0	113.7	F21 Y24 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.86Å; F21-P45 HydrophobicContact CD1-CG 4.2Å; F21-P45 HydrophobicContact CD2-CG 4.06Å; F21-P45 HydrophobicContact CE1-CB 3.49Å; F21-P45 VanDerWaalsContact CE1-CB 3.49Å; F21-P45 HydrophobicContact CE1-CG 3.76Å; F21-P45 HydrophobicContact CE2-CB 4.28Å; F21-P45 HydrophobicContact CE2-CG 3.6Å; F21-P45 HydrophobicContact CG-CB 4.42Å; F21-P45 HydrophobicContact CG-CG 4.36Å; F21-P45 HydrophobicContact CZ-CB 3.73Å; F21-P45 HydrophobicContact CZ-CG 3.44Å; F21-P45 VanDerWaalsContact CZ-CG 3.44Å; F21-P45 WeakPolarHBondContact O-CG 3.48Å; Y24-P45 WeakPolarHBondContact O-CD 3.29Å; I43-P45 WeakPolarHBondContact O-CD 3.33Å; P45-A64 HydrophobicContact CB-CB 3.82Å; P45-A64 HydrophobicContact CG-CB 4.16Å; P45-K66 WeakPolarHBondContact O-CE 3.44Å; P45-K66 PolarHBondContact O-NZ 2.9Å
46	G	94.6	Very high	95.3	Very high	25 Å²	25	55.3 Å²	55.3	26%	0.258	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-50.5	179.2	0	0	0	0	0	112.8	T22 Y44 K66	T22-G46 WeakPolarHBondContact O-CA 3.33Å; T22-G46 PolarHBondContact O-N 3.18Å; Y44-G46 PolarHBondContact O-N 2.85Å; Y44-G46 VanDerWaalsContact O-N 3.11Å; G46-K66 PolarHBondContact O-NZ 3.05Å
47	D	95.1	Very high	95.4	Very high	112 Å²	112	59.7 Å²	59.7	60%	0.599	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.9	-10.9	-178.1	58.4	19.3	0	0	0	113.8	Y44 D49	Y44-D47 WeakPolarHBondContact CD1-OD1 3.16Å; D47-D49 VanDerWaalsContact OD1-CB 3.31Å; D47-D49 WeakPolarHBondContact OD1-CB 3.12Å; D47-D49 PolarHBondContact OD1-N 2.64Å
48	G	95.3	Very high	95.3	Very high	42 Å²	42	58.2 Å²	58.2	43%	0.433	30%	0.303	S	S	.	.			trans	86.2	10.9	-178.2	0	0	0	0	0	114.2	Y44	Y44-G48 VanDerWaalsContact O-CA 3.3Å; Y44-G48 WeakPolarHBondContact O-CA 3.46Å; Y44-G48 PolarHBondContact O-N 3.13Å
49	D	96.3	Very high	95.3	Very high	69 Å²	69	57.7 Å²	57.7	37%	0.369	30%	0.3	S	S	.	.			trans	-59.8	140	175.2	-172	24.5	0	0	0	110.7	W25 I43 Y44 D47 R51	W25-D49 HydrophobicContact CH2-CB 3.93Å; W25-D49 VanDerWaalsContact CH2-OD2 3.3Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.36Å; I43-D49 CarbonylContact C-O 3.58Å; I43-D49 VanDerWaalsContact CA-O 3.32Å; I43-D49 WeakPolarHBondContact CA-O 3.21Å; Y44-D49 PolarHBondContact N-O 3.08Å; D47-D49 VanDerWaalsContact OD1-CB 3.31Å; D47-D49 WeakPolarHBondContact OD1-CB 3.12Å; D47-D49 PolarHBondContact OD1-N 2.64Å; D49-R51 IonicContact OD2-NE 2.69Å
50	T	97.3	Very high	95.4	Very high	48 Å²	48	53.8 Å²	53.8	29%	0.294	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	139.1	-177.9	56.3	0	0	0	0	111.8	A42 I43 Y52 L62	A42-T50 CarbonylContact O-C 3.55Å; A42-T50 VanDerWaalsContact O-CA 3.3Å; A42-T50 WeakPolarHBondContact O-CA 3.24Å; I43-T50 HydrophobicContact CB-CG2 4.01Å; I43-T50 HydrophobicContact CD1-CG2 3.96Å; I43-T50 HydrophobicContact CG1-CG2 3.84Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.31Å; T50-L62 HydrophobicContact CG2-CB 4.06Å
51	R	96.1	Very high	95.4	Very high	139 Å²	139	57.1 Å²	57.1	53%	0.525	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.1	177.5	-60.6	-179	-177.3	176.4	1.2	109.3	W25 W39 G41 A42 D49	W25-R51 HydrophobicContact CH2-CG 4.01Å; W25-R51 HydrophobicContact CZ3-CG 4.11Å; W39-R51 HydrophobicContact CH2-CB 3.93Å; W39-R51 HydrophobicContact CZ2-CB 4.48Å; G41-R51 CarbonylContact C-O 3.53Å; G41-R51 WeakPolarHBondContact CA-O 3.05Å; A42-R51 PolarHBondContact N-O 3.02Å; A42-R51 PolarHBondContact O-N 2.89Å; D49-R51 IonicContact OD2-NE 2.69Å
52	Y	96.4	Very high	95.5	Very high	66 Å²	66	57.5 Å²	57.5	26%	0.259	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	153.6	-177.5	-59.2	-92.5	0	0	0	110	I40 T50 A60 L62	I40-Y52 WeakPolarHBondContact O-CA 3.07Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.31Å; Y52-A60 HydrophobicContact CD1-CB 4.4Å; Y52-A60 HydrophobicContact CE1-CB 4.18Å; Y52-A60 VanDerWaalsContact CE1-O 3.25Å; Y52-A60 WeakPolarHBondContact CE1-O 3.44Å; Y52-L62 HydrophobicContact CD1-CD1 4.5Å; Y52-L62 HydrophobicContact CE1-CD1 3.93Å; Y52-L62 HydrophobicContact CE1-CG 3.66Å; Y52-L62 PolarHBondContact OH-N 2.89Å; Y52-L62 VanDerWaalsContact OH-N 3.12Å
53	T	95.1	Very high	95.6	Very high	41 Å²	41	60.5 Å²	60.5	25%	0.252	33%	0.327	S	S	.	.			trans	-75.4	157.2	156.8	59.6	0	0	0	0	110.3	W39 I40 K55 F56 K57	W39-T53 HydrophobicContact CD2-CG2 4.34Å; W39-T53 HydrophobicContact CE3-CG2 3.28Å; W39-T53 HydrophobicContact CZ3-CG2 3.71Å; W39-T53 WeakPolarHBondContact O-CG2 3.39Å; W39-T53 PolarHBondContact O-OG1 2.88Å; I40-T53 PolarHBondContact O-N 3.35Å; T53-K55 PolarHBondContact O-N 2.64Å; T53-K55 VanDerWaalsContact O-N 3.12Å; T53-F56 PolarHBondContact O-N 3.44Å; T53-F56 VanDerWaalsContact O-N 3.09Å; T53-F56 WeakPolarHBondContact OG1-CD2 3.2Å; T53-K57 PolarHBondContact O-N 2.81Å; T53-K57 VanDerWaalsContact O-N 3.14Å
54	Q	94.4	Very high	95.7	Very high	162 Å²	162	61.8 Å²	61.8	76%	0.757	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-33.8	-178	-170.1	66.1	2.6	0	0	112.8	F56	Q54-F56 PolarHBondContact O-N 3.09Å
55	K	92.6	Very high	95.7	Very high	93 Å²	93	61.6 Å²	61.6	40%	0.404	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-33.2	-179.7	-175.9	-176.6	175	-175	0	113.6	E38 T53	E38-K55 WeakPolarHBondContact OE1-CD 3.41Å; E38-K55 WeakPolarHBondContact OE1-CE 2.92Å; E38-K55 IonicContact OE1-NZ 2.88Å; E38-K55 PolarHBondContact OE1-NZ 3.27Å; E38-K55 IonicContact OE2-NZ 3.26Å; E38-K55 PolarHBondContact OE2-NZ 3.46Å; T53-K55 PolarHBondContact O-N 2.64Å; T53-K55 VanDerWaalsContact O-N 3.12Å
56	F	94.3	Very high	95.7	Very high	1 Å²	1	67 Å²	67	0%	0.004	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-5.5	-176.1	-68.6	-83.9	0	0	0	113.3	K30 E38 I40 T53 Q54 G58 K59 A60 L75	K30-F56 HydrophobicContact CD-CE1 4.33Å; K30-F56 HydrophobicContact CD-CZ 3.82Å; E38-F56 HydrophobicContact CG-CE2 4.03Å; I40-F56 HydrophobicContact CB-CD2 4.2Å; I40-F56 HydrophobicContact CB-CE2 4.5Å; I40-F56 HydrophobicContact CB-CG 4.25Å; I40-F56 HydrophobicContact CG1-CD1 4.39Å; I40-F56 HydrophobicContact CG1-CD2 4.2Å; I40-F56 HydrophobicContact CG1-CE1 4.2Å; I40-F56 HydrophobicContact CG1-CE2 4.01Å; I40-F56 HydrophobicContact CG1-CG 4.39Å; I40-F56 HydrophobicContact CG1-CZ 4Å; I40-F56 HydrophobicContact CG2-CB 3.71Å; I40-F56 HydrophobicContact CG2-CD1 3.84Å; I40-F56 HydrophobicContact CG2-CD2 4.07Å; I40-F56 HydrophobicContact CG2-CE1 4.46Å; I40-F56 HydrophobicContact CG2-CG 3.61Å; T53-F56 PolarHBondContact O-N 3.44Å; T53-F56 VanDerWaalsContact O-N 3.09Å; T53-F56 WeakPolarHBondContact OG1-CD2 3.2Å; Q54-F56 PolarHBondContact O-N 3.09Å; F56-G58 PolarHBondContact O-N 3.46Å; F56-G58 VanDerWaalsContact O-N 3.17Å; F56-K59 PolarHBondContact O-N 2.96Å; F56-A60 HydrophobicContact CB-CB 4.21Å; F56-A60 PolarHBondContact O-N 3.17Å; F56-L75 HydrophobicContact CD1-CD2 4.45Å
57	K	93.6	Very high	95.7	Very high	151 Å²	151	71 Å²	71	66%	0.657	39%	0.389	S	S	*	.	B	Isolated β-bridge	trans	-59.8	118	171.7	-166.3	172.5	-175.5	176.5	0	109.8	T53 K59	T53-K57 PolarHBondContact O-N 2.81Å; T53-K57 VanDerWaalsContact O-N 3.14Å; K57-K59 VanDerWaalsContact C-N 3.28Å; K57-K59 PolarHBondContact O-N 2.92Å
58	G	92.6	Very high	95.8	Very high	69 Å²	69	67.5 Å²	67.5	71%	0.711	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	-14.7	-176.7	0	0	0	0	0	115.3	F56	F56-G58 PolarHBondContact O-N 3.46Å; F56-G58 VanDerWaalsContact O-N 3.17Å
59	K	95.4	Very high	95.8	Very high	38 Å²	38	67.5 Å²	67.5	17%	0.165	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-36.4	173.9	-172.7	167.2	-170.3	167.7	0	112.6	F56 K57 L75 S76 E81 D82	F56-K59 PolarHBondContact O-N 2.96Å; K57-K59 VanDerWaalsContact C-N 3.28Å; K57-K59 PolarHBondContact O-N 2.92Å; K59-L75 WeakPolarHBondContact O-CA 3.26Å; K59-S76 PolarHBondContact O-N 3.02Å; K59-S76 PolarHBondContact O-OG 3.14Å; K59-E81 IonicContact NZ-OE1 2.64Å; K59-D82 VanDerWaalsContact CE-CG 3.49Å; K59-D82 WeakPolarHBondContact CE-OD1 3.32Å; K59-D82 WeakPolarHBondContact CE-OD2 3.36Å; K59-D82 IonicContact NZ-OD1 3.66Å; K59-D82 PolarHBondContact NZ-OD1 3.49Å; K59-D82 IonicContact NZ-OD2 3.9Å; K59-D82 PolarHBondContact NZ-OD2 2.95Å
60	A	97.4	Very high	95.8	Very high	4 Å²	4	64.7 Å²	64.7	3%	0.033	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	138.2	175.7	0	0	0	0	0	110.4	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.93Å; Y52-A60 HydrophobicContact CD1-CB 4.4Å; Y52-A60 HydrophobicContact CE1-CB 4.18Å; Y52-A60 VanDerWaalsContact CE1-O 3.25Å; Y52-A60 WeakPolarHBondContact CE1-O 3.44Å; F56-A60 HydrophobicContact CB-CB 4.21Å; F56-A60 PolarHBondContact O-N 3.17Å; A60-M73 HydrophobicContact CB-CG 4.38Å; A60-M73 HydrophobicContact CB-SD 4.42Å; A60-Q74 CarbonylContact C-O 3.53Å; A60-Q74 WeakPolarHBondContact CA-O 3.14Å; A60-L75 HydrophobicContact CB-CD2 3.98Å
61	T	98.1	Very high	95.8	Very high	70 Å²	70	62.4 Å²	62.4	43%	0.429	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	118.2	168.4	-58.7	0	0	0	0	108.4	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.27Å; T61-M73 WeakPolarHBondContact O-CA 3.03Å; T61-Q74 PolarHBondContact N-O 3.25Å; T61-Q74 PolarHBondContact O-N 2.87Å
62	L	98.2	Very high	95.9	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.042	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	131.8	178.2	-53.4	-178	0	0	0	110.3	W28 A42 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.06Å; A42-L62 VanDerWaalsContact C-CD1 3.5Å; A42-L62 WeakPolarHBondContact O-CD1 3.43Å; I43-L62 HydrophobicContact CB-CB 4.06Å; I43-L62 HydrophobicContact CD1-CB 4.46Å; I43-L62 HydrophobicContact CG2-CB 4.38Å; T50-L62 HydrophobicContact CG2-CB 4.06Å; Y52-L62 HydrophobicContact CD1-CD1 4.5Å; Y52-L62 HydrophobicContact CE1-CD1 3.93Å; Y52-L62 HydrophobicContact CE1-CG 3.66Å; Y52-L62 PolarHBondContact OH-N 2.89Å; Y52-L62 VanDerWaalsContact OH-N 3.12Å; L62-Y72 WeakPolarHBondContact CA-O 3.39Å; L62-M73 HydrophobicContact CD2-CB 3.65Å; L62-M73 HydrophobicContact CD2-CG 3.59Å; L62-M73 HydrophobicContact CD2-SD 4.12Å
63	T	97.9	Very high	96	Very high	63 Å²	63	55.1 Å²	55.1	39%	0.387	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	162.4	175.3	62	0	0	0	0	110.9	I43 T61 A71 Y72	I43-T63 VanDerWaalsContact CD1-C 3.44Å; T61-T63 HydrophobicContact CG2-CG2 4.27Å; T63-A71 CarbonylContact O-C 3.58Å; T63-A71 WeakPolarHBondContact O-CA 3.42Å; T63-Y72 PolarHBondContact N-O 2.82Å; T63-Y72 PolarHBondContact O-N 2.87Å
64	A	97.5	Very high	96.1	Very high	34 Å²	34	57.2 Å²	57.2	28%	0.281	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	138	177.8	0	0	0	0	0	110.7	F21 I43 P45	F21-A64 HydrophobicContact CE1-CB 4.06Å; F21-A64 HydrophobicContact CZ-CB 3.94Å; I43-A64 HydrophobicContact CD1-CB 3.84Å; I43-A64 HydrophobicContact CG1-CB 4.5Å; P45-A64 HydrophobicContact CB-CB 3.82Å; P45-A64 HydrophobicContact CG-CB 4.16Å
65	D	96.9	Very high	96.2	Very high	57 Å²	57	49.5 Å²	49.5	31%	0.305	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	110.5	169.6	174.7	8.8	0	0	0	108.9	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 3.34Å; D65-S67 WeakPolarHBondContact OD1-CB 3.14Å; D65-S67 PolarHBondContact OD1-N 3.42Å; D65-S67 PolarHBondContact OD1-OG 2.98Å; D65-S67 PolarHBondContact OD2-OG 2.77Å; D65-S68 WeakPolarHBondContact CB-OG 3.49Å; D65-S68 WeakPolarHBondContact OD2-CB 3.3Å; D65-S68 PolarHBondContact OD2-OG 2.89Å; D65-S69 WeakPolarHBondContact O-CA 3.3Å; D65-S69 PolarHBondContact O-N 3.17Å; D65-T70 PolarHBondContact N-O 2.79Å; D65-T70 PolarHBondContact O-N 3.09Å; D65-Y72 HydrophobicContact CB-CE2 3.97Å
66	K	95.2	Very high	96.4	Very high	116 Å²	116	46.6 Å²	46.6	50%	0.504	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-32.7	-178.5	-52.9	-174.4	-162.6	-165.8	0	111.6	T22 P45 G46 S69	T22-K66 HydrophobicContact CG2-CB 4.21Å; T22-K66 HydrophobicContact CG2-CD 4.04Å; T22-K66 HydrophobicContact CG2-CG 4.04Å; P45-K66 WeakPolarHBondContact O-CE 3.44Å; P45-K66 PolarHBondContact O-NZ 2.9Å; G46-K66 PolarHBondContact O-NZ 3.05Å; K66-S69 PolarHBondContact O-N 2.83Å
67	S	94.4	Very high	96.5	Very high	108 Å²	108	50.7 Å²	50.7	76%	0.755	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-40.6	-176	72	0	0	0	0	112	D65	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 3.34Å; D65-S67 WeakPolarHBondContact OD1-CB 3.14Å; D65-S67 PolarHBondContact OD1-N 3.42Å; D65-S67 PolarHBondContact OD1-OG 2.98Å; D65-S67 PolarHBondContact OD2-OG 2.77Å
68	S	95.8	Very high	96.6	Very high	38 Å²	38	43.6 Å²	43.6	27%	0.266	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	0.4	177.2	64.8	0	0	0	0	113.6	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.49Å; D65-S68 WeakPolarHBondContact OD2-CB 3.3Å; D65-S68 PolarHBondContact OD2-OG 2.89Å; S68-T70 PolarHBondContact O-N 2.83Å; S68-T70 PolarHBondContact O-OG1 3.03Å; S68-T70 WeakPolarHBondContact OG-CB 3.34Å; S68-T70 PolarHBondContact OG-OG1 3.16Å
69	S	95.6	Very high	96.7	Very high	42 Å²	42	42 Å²	42	29%	0.294	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	42.5	-173.3	-63.3	0	0	0	0	112.6	A16 F21 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.25Å; A16-S69 PolarHBondContact N-O 3.45Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; D65-S69 WeakPolarHBondContact O-CA 3.3Å; D65-S69 PolarHBondContact O-N 3.17Å; K66-S69 PolarHBondContact O-N 2.83Å
70	T	96.9	Very high	96.6	Very high	10 Å²	10	44.4 Å²	44.4	6%	0.061	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.6	-173.5	-57.7	0	0	0	0	110.7	C14 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.45Å; D65-T70 PolarHBondContact N-O 2.79Å; D65-T70 PolarHBondContact O-N 3.09Å; S68-T70 PolarHBondContact O-N 2.83Å; S68-T70 PolarHBondContact O-OG1 3.03Å; S68-T70 WeakPolarHBondContact OG-CB 3.34Å; S68-T70 PolarHBondContact OG-OG1 3.16Å; T70-Y72 HydrophobicContact CG2-CD1 4.3Å; T70-Y72 HydrophobicContact CG2-CD2 4.47Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.84Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.34Å; T70-Y72 WeakPolarHBondContact O-CE2 3.13Å
71	A	97.3	Very high	96.3	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	150.7	168.9	0	0	0	0	0	110.2	S13 C14 F21 M26 W28 I43 T63	S13-A71 CarbonylContact C-O 3.56Å; S13-A71 WeakPolarHBondContact CA-O 3.45Å; C14-A71 PolarHBondContact N-O 2.81Å; C14-A71 PolarHBondContact O-N 2.76Å; F21-A71 HydrophobicContact CE2-CB 4.13Å; F21-A71 HydrophobicContact CZ-CB 3.96Å; M26-A71 HydrophobicContact CB-CB 4.13Å; M26-A71 HydrophobicContact CG-CB 3.64Å; W28-A71 HydrophobicContact CZ2-CB 4.32Å; I43-A71 HydrophobicContact CG2-CB 4.43Å; T63-A71 CarbonylContact O-C 3.58Å; T63-A71 WeakPolarHBondContact O-CA 3.42Å
72	Y	98	Very high	96.2	Very high	52 Å²	52	45.7 Å²	45.7	20%	0.204	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.7	177.9	-55.3	-87.2	0	0	0	110.8	K11 L12 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.42Å; K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; K11-Y72 HydrophobicContact CG-CD1 4.43Å; L12-Y72 CarbonylContact O-C 3.56Å; L12-Y72 WeakPolarHBondContact O-CA 3.27Å; L62-Y72 WeakPolarHBondContact CA-O 3.39Å; T63-Y72 PolarHBondContact N-O 2.82Å; T63-Y72 PolarHBondContact O-N 2.87Å; D65-Y72 HydrophobicContact CB-CE2 3.97Å; T70-Y72 HydrophobicContact CG2-CD1 4.3Å; T70-Y72 HydrophobicContact CG2-CD2 4.47Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.84Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.34Å; T70-Y72 WeakPolarHBondContact O-CE2 3.13Å
73	M	98.1	Very high	96.1	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.5	166.7	176.5	176.7	69.6	0	0	108.5	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.71Å; L12-M73 PolarHBondContact N-O 2.89Å; L12-M73 PolarHBondContact O-N 2.84Å; W28-M73 HydrophobicContact CB-SD 3.97Å; W28-M73 HydrophobicContact CD2-CB 3.67Å; W28-M73 HydrophobicContact CD2-CE 4.33Å; W28-M73 HydrophobicContact CD2-CG 4.47Å; W28-M73 HydrophobicContact CD2-SD 4.1Å; W28-M73 HydrophobicContact CE3-CB 3.86Å; W28-M73 HydrophobicContact CE3-CE 3.73Å; W28-M73 HydrophobicContact CE3-SD 4.11Å; W28-M73 HydrophobicContact CG-CB 4.24Å; W28-M73 HydrophobicContact CG-SD 4.07Å; W28-M73 HydrophobicContact CH2-CB 4.01Å; W28-M73 HydrophobicContact CZ2-CB 3.84Å; W28-M73 HydrophobicContact CZ3-CB 4.02Å; W28-M73 HydrophobicContact CZ3-CE 4.22Å; I40-M73 HydrophobicContact CD1-CE 3.86Å; I40-M73 HydrophobicContact CD1-SD 3.64Å; I40-M73 HydrophobicContact CG2-SD 3.91Å; A60-M73 HydrophobicContact CB-CG 4.38Å; A60-M73 HydrophobicContact CB-SD 4.42Å; T61-M73 WeakPolarHBondContact O-CA 3.03Å; L62-M73 HydrophobicContact CD2-CB 3.65Å; L62-M73 HydrophobicContact CD2-CG 3.59Å; L62-M73 HydrophobicContact CD2-SD 4.12Å; M73-L75 HydrophobicContact CE-CD1 3.93Å; M73-L75 HydrophobicContact CE-CD2 4.4Å; M73-L75 HydrophobicContact CE-CG 4.07Å; M73-L75 HydrophobicContact CG-CG 4.37Å; M73-L75 HydrophobicContact SD-CD2 4.21Å; M73-L75 HydrophobicContact SD-CG 4.38Å; M73-Y86 HydrophobicContact CE-CD1 3.6Å; M73-Y86 HydrophobicContact CE-CE1 4.19Å; M73-Y86 HydrophobicContact CE-CG 4.24Å
74	Q	98	Very high	96.1	Very high	86 Å²	86	44 Å²	44	40%	0.402	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	122.2	169.3	-177.5	173.7	-10.1	0	0	109.2	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.4Å; V10-Q74 WeakPolarHBondContact O-CA 3Å; A60-Q74 CarbonylContact C-O 3.53Å; A60-Q74 WeakPolarHBondContact CA-O 3.14Å; T61-Q74 PolarHBondContact N-O 3.25Å; T61-Q74 PolarHBondContact O-N 2.87Å
75	L	96.9	Very high	96.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.2	170.7	-67.8	167	0	0	0	108.4	S9 V10 F56 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.56Å; S9-L75 WeakPolarHBondContact CA-O 2.98Å; S9-L75 WeakPolarHBondContact CB-O 3.4Å; V10-L75 HydrophobicContact CG1-CB 4.05Å; V10-L75 HydrophobicContact CG1-CD1 4.27Å; V10-L75 PolarHBondContact N-O 2.91Å; V10-L75 PolarHBondContact O-N 2.98Å; F56-L75 HydrophobicContact CD1-CD2 4.45Å; K59-L75 WeakPolarHBondContact O-CA 3.26Å; A60-L75 HydrophobicContact CB-CD2 3.98Å; M73-L75 HydrophobicContact CE-CD1 3.93Å; M73-L75 HydrophobicContact CE-CD2 4.4Å; M73-L75 HydrophobicContact CE-CG 4.07Å; M73-L75 HydrophobicContact CG-CG 4.37Å; M73-L75 HydrophobicContact SD-CD2 4.21Å; M73-L75 HydrophobicContact SD-CG 4.38Å; L75-L78 HydrophobicContact CB-CD2 3.87Å; L75-L78 HydrophobicContact CD1-CD2 4.38Å; L75-Y86 HydrophobicContact CD1-CD1 4.16Å; L75-Y86 HydrophobicContact CD1-CE1 3.54Å; L75-Y86 HydrophobicContact CD1-CE2 4.25Å
76	S	96.3	Very high	96.1	Very high	32 Å²	32	41.7 Å²	41.7	22%	0.224	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-101.3	159.7	177	58.4	0	0	0	0	111.7	K59 L78	K59-S76 PolarHBondContact O-N 3.02Å; K59-S76 PolarHBondContact O-OG 3.14Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 3.12Å
77	S	95.5	Very high	96.2	Very high	86 Å²	86	38.2 Å²	38.2	60%	0.601	23%	0.232	S	C	*	.	S	Bend	trans	50	50.7	172.7	-58.9	0	0	0	0	112.9	A8 A79	A8-S77 PolarHBondContact O-N 2.85Å; S77-A79 PolarHBondContact O-N 2.95Å
78	L	95.7	Very high	96.3	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.016	20%	0.201	C	C	.	.			trans	-57.6	135	-175.8	-73.3	171.5	0	0	0	111.7	A4 P6 G7 A8 V10 L75 S76 D82 V110	A4-L78 HydrophobicContact CB-CD1 3.5Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.28Å; G7-L78 PolarHBondContact N-O 3.16Å; A8-L78 WeakPolarHBondContact O-CB 3.38Å; A8-L78 WeakPolarHBondContact O-CG 3.03Å; A8-L78 PolarHBondContact O-N 2.85Å; V10-L78 HydrophobicContact CB-CD1 4.02Å; V10-L78 HydrophobicContact CG1-CD1 3.86Å; V10-L78 HydrophobicContact CG1-CD2 4.33Å; L75-L78 HydrophobicContact CB-CD2 3.87Å; L75-L78 HydrophobicContact CD1-CD2 4.38Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 3.12Å; L78-D82 HydrophobicContact CD2-CB 3.74Å; L78-V110 HydrophobicContact CB-CG1 4.16Å; L78-V110 HydrophobicContact CB-CG2 3.96Å; L78-V110 HydrophobicContact CD1-CG2 4.24Å; L78-V110 HydrophobicContact CD2-CG2 4.29Å; L78-V110 HydrophobicContact CG-CG2 4.4Å
79	A	94.9	Very high	96.1	Very high	34 Å²	34	32 Å²	32	28%	0.281	19%	0.189	S	C	.	.			trans	-116.7	165.4	172.3	0	0	0	0	0	110	S77 E81 D82 V110	S77-A79 PolarHBondContact O-N 2.95Å; A79-E81 HydrophobicContact CB-CG 3.72Å; A79-E81 PolarHBondContact O-N 2.03Å; A79-E81 VanDerWaalsContact O-N 3.12Å; A79-D82 PolarHBondContact N-OD2 2.96Å; A79-D82 WeakPolarHBondContact O-CA 3.2Å; A79-D82 VanDerWaalsContact O-CB 3.29Å; A79-D82 WeakPolarHBondContact O-CB 3.48Å; A79-D82 PolarHBondContact O-N 2.79Å; A79-V110 WeakPolarHBondContact O-CB 3.42Å
80	S	93.5	Very high	95.8	Very high	90 Å²	90	30.3 Å²	30.3	63%	0.629	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-53.8	-34.8	178.7	53	0	0	0	0	112.6	D82 S83	S80-D82 PolarHBondContact O-N 3.37Å; S80-S83 WeakPolarHBondContact O-CB 3.41Å; S80-S83 PolarHBondContact O-N 2.77Å; S80-S83 VanDerWaalsContact O-N 3.08Å; S80-S83 PolarHBondContact O-OG 2.88Å
81	E	92.3	Very high	94.8	Very high	100 Å²	100	32.6 Å²	32.6	47%	0.467	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-65.7	-9.6	175.3	59.9	163.4	-142.3	0	0	115.3	K30 R32 K59 A79 S83	K30-E81 PolarHBondContact NZ-O 3.26Å; R32-E81 PolarHBondContact NE-O 2.85Å; R32-E81 PolarHBondContact NH2-O 3.12Å; K59-E81 IonicContact NZ-OE1 2.64Å; A79-E81 HydrophobicContact CB-CG 3.72Å; A79-E81 PolarHBondContact O-N 2.03Å; A79-E81 VanDerWaalsContact O-N 3.12Å; E81-S83 VanDerWaalsContact C-N 3.35Å
82	D	95	Very high	93.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-86.8	-6.5	173	-60.7	-48.1	0	0	0	113.5	K30 K59 L78 A79 S80 A84 Y86 V110	K30-D82 IonicContact NZ-OD1 2.92Å; K30-D82 PolarHBondContact NZ-OD1 2.92Å; K59-D82 VanDerWaalsContact CE-CG 3.49Å; K59-D82 WeakPolarHBondContact CE-OD1 3.32Å; K59-D82 WeakPolarHBondContact CE-OD2 3.36Å; K59-D82 IonicContact NZ-OD1 3.66Å; K59-D82 PolarHBondContact NZ-OD1 3.49Å; K59-D82 IonicContact NZ-OD2 3.9Å; K59-D82 PolarHBondContact NZ-OD2 2.95Å; L78-D82 HydrophobicContact CD2-CB 3.74Å; A79-D82 PolarHBondContact N-OD2 2.96Å; A79-D82 WeakPolarHBondContact O-CA 3.2Å; A79-D82 VanDerWaalsContact O-CB 3.29Å; A79-D82 WeakPolarHBondContact O-CB 3.48Å; A79-D82 PolarHBondContact O-N 2.79Å; S80-D82 PolarHBondContact O-N 3.37Å; D82-A84 PolarHBondContact O-N 2.86Å; D82-A84 VanDerWaalsContact O-N 3.13Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.3Å; D82-Y86 PolarHBondContact O-OH 2.86Å; D82-V110 HydrophobicContact CB-CG2 4.24Å
83	S	96.7	Very high	91.7	Very high	35 Å²	35	38 Å²	38	25%	0.245	21%	0.214	C	C	.	.			trans	-63.6	114.5	171.7	-54.7	0	0	0	0	110.2	S80 E81 V108 V110	S80-S83 WeakPolarHBondContact O-CB 3.41Å; S80-S83 PolarHBondContact O-N 2.77Å; S80-S83 VanDerWaalsContact O-N 3.08Å; S80-S83 PolarHBondContact O-OG 2.88Å; E81-S83 VanDerWaalsContact C-N 3.35Å; S83-V108 CarbonylContact C-O 3.51Å; S83-V108 VanDerWaalsContact CA-O 3.24Å; S83-V108 WeakPolarHBondContact CA-O 3.32Å; S83-V110 PolarHBondContact OG-N 2.81Å
84	A	97.3	Very high	89.5	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	167.4	-172.9	0	0	0	0	0	110.5	K30 Q31 R32 D82 Y86 V108	K30-A84 HydrophobicContact CD-CB 4.13Å; K30-A84 HydrophobicContact CG-CB 3.5Å; K30-A84 VanDerWaalsContact CG-CB 3.5Å; Q31-A84 WeakPolarHBondContact O-CA 3.31Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.36Å; R32-A84 HydrophobicContact CG-CB 4.04Å; D82-A84 PolarHBondContact O-N 2.86Å; D82-A84 VanDerWaalsContact O-N 3.13Å; A84-Y86 HydrophobicContact CB-CD2 4.37Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; A84-Y86 WeakPolarHBondContact O-CD2 3.2Å; A84-V108 PolarHBondContact N-O 2.92Å; A84-V108 PolarHBondContact O-N 2.84Å
85	V	97.9	Very high	87.2	Confident	38 Å²	38	52.8 Å²	52.8	23%	0.23	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	130.1	162.8	-170	0	0	0	0	108.5	Q31 Y87 L107	Q31-V85 PolarHBondContact N-O 3.04Å; Q31-V85 PolarHBondContact O-N 2.88Å; V85-Y87 HydrophobicContact CB-CE2 3.76Å; V85-Y87 HydrophobicContact CG1-CD2 4.27Å; V85-Y87 HydrophobicContact CG1-CE1 3.89Å; V85-Y87 HydrophobicContact CG1-CE2 3.56Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.46Å; V85-L107 HydrophobicContact CG2-CD1 4.15Å
86	Y	97.9	Very high	85	Confident	3 Å²	3	55.8 Å²	55.8	1%	0.012	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127	179.6	-69.9	-90.6	0	0	0	109.8	L12 V29 K30 I40 M73 L75 D82 A84 G105 T106 V108	L12-Y86 VanDerWaalsContact CD1-CB 3.46Å; L12-Y86 HydrophobicContact CD1-CD1 4.41Å; L12-Y86 HydrophobicContact CD1-CD2 4.21Å; L12-Y86 HydrophobicContact CD1-CG 3.78Å; V29-Y86 CarbonylContact O-C 3.6Å; V29-Y86 WeakPolarHBondContact O-CA 3.42Å; K30-Y86 HydrophobicContact CB-CD1 4.17Å; K30-Y86 HydrophobicContact CB-CE1 3.95Å; K30-Y86 HydrophobicContact CD-CE1 3.87Å; K30-Y86 WeakPolarHBondContact CE-OH 3.44Å; K30-Y86 HydrophobicContact CG-CD1 4.26Å; K30-Y86 HydrophobicContact CG-CE1 3.73Å; I40-Y86 HydrophobicContact CD1-CD1 3.68Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å; M73-Y86 HydrophobicContact CE-CD1 3.6Å; M73-Y86 HydrophobicContact CE-CE1 4.19Å; M73-Y86 HydrophobicContact CE-CG 4.24Å; L75-Y86 HydrophobicContact CD1-CD1 4.16Å; L75-Y86 HydrophobicContact CD1-CE1 3.54Å; L75-Y86 HydrophobicContact CD1-CE2 4.25Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.3Å; D82-Y86 PolarHBondContact O-OH 2.86Å; A84-Y86 HydrophobicContact CB-CD2 4.37Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; A84-Y86 WeakPolarHBondContact O-CD2 3.2Å; Y86-G105 CarbonylContact O-C 3.51Å; Y86-G105 VanDerWaalsContact O-CA 3.24Å; Y86-G105 WeakPolarHBondContact O-CA 3.33Å; Y86-T106 PolarHBondContact N-O 3.5Å; Y86-T106 PolarHBondContact O-N 2.85Å; Y86-V108 HydrophobicContact CD2-CB 3.88Å; Y86-V108 HydrophobicContact CD2-CG2 3.58Å; Y86-V108 HydrophobicContact CE2-CB 3.74Å; Y86-V108 HydrophobicContact CE2-CG2 3.89Å
87	Y	96.9	Very high	82.9	Confident	44 Å²	44	56.4 Å²	56.4	17%	0.173	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	147.5	-177.9	-59.5	-87	0	0	0	110.2	W28 V29 Q31 V85 W102 G103	W28-Y87 WeakPolarHBondContact CA-O 3.34Å; V29-Y87 PolarHBondContact N-O 2.69Å; V29-Y87 PolarHBondContact O-N 2.87Å; Q31-Y87 HydrophobicContact CB-CD2 4.38Å; Q31-Y87 HydrophobicContact CB-CE2 3.77Å; Q31-Y87 PolarHBondContact OE1-OH 2.96Å; V85-Y87 HydrophobicContact CB-CE2 3.76Å; V85-Y87 HydrophobicContact CG1-CD2 4.27Å; V85-Y87 HydrophobicContact CG1-CE1 3.89Å; V85-Y87 HydrophobicContact CG1-CE2 3.56Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.46Å; Y87-W102 HydrophobicContact CD1-CE3 4.38Å; Y87-W102 HydrophobicContact CG-CE3 4.1Å; Y87-W102 HydrophobicContact CG-CZ3 4.19Å; Y87-G103 WeakPolarHBondContact CD1-O 3.49Å
88	C	95.3	Very high	81	Confident	15 Å²	15	61.7 Å²	61.7	10%	0.101	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	148.9	159.5	61.7	0	0	0	0	109.5	C14 M26 Q27 W28 G103	C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.48Å; C14-C88 WeakPolarHBondContact SG-CB 3.44Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.05Å; M26-C88 HydrophobicContact SD-CB 3.8Å; Q27-C88 CarbonylContact O-C 3.51Å; Q27-C88 WeakPolarHBondContact O-CA 3.4Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.28Å; W28-C88 HydrophobicContact CH2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.25Å; C88-G103 PolarHBondContact O-N 3.06Å
89	A	93.3	Very high	79.4	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.008	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	156.7	176.5	0	0	0	0	0	111.8	Q27 F99 Y101 W102	Q27-A89 HydrophobicContact CB-CB 4.35Å; Q27-A89 VanDerWaalsContact CB-O 3.31Å; Q27-A89 WeakPolarHBondContact CB-O 3.45Å; Q27-A89 PolarHBondContact N-O 2.87Å; Q27-A89 PolarHBondContact O-N 3.35Å; A89-F99 HydrophobicContact CB-CB 4.3Å; A89-F99 HydrophobicContact CB-CD1 3.62Å; A89-F99 HydrophobicContact CB-CE1 4.39Å; A89-F99 HydrophobicContact CB-CG 4.35Å; A89-Y101 CarbonylContact C-O 3.58Å; A89-Y101 WeakPolarHBondContact CA-O 3.31Å; A89-Y101 WeakPolarHBondContact CB-O 3.06Å; A89-W102 HydrophobicContact CB-CD2 3.7Å; A89-W102 HydrophobicContact CB-CE3 3.97Å; A89-W102 HydrophobicContact CB-CG 4.07Å; A89-W102 HydrophobicContact CB-CH2 4.4Å; A89-W102 HydrophobicContact CB-CZ2 4.17Å; A89-W102 HydrophobicContact CB-CZ3 4.32Å
90	V	88.6	Confident	78.1	Confident	6 Å²	6	64.7 Å²	64.7	4%	0.036	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129	-178.4	-172.5	0	0	0	0	110.1	Y19 Y24 M26 Y92 F99 A100 Y101	Y19-V90 HydrophobicContact CE1-CG1 4.46Å; Y19-V90 HydrophobicContact CE1-CG2 3.69Å; Y19-V90 HydrophobicContact CE2-CG1 4.11Å; Y19-V90 HydrophobicContact CE2-CG2 4.24Å; Y19-V90 VanDerWaalsContact CZ-CG2 3.4Å; Y19-V90 WeakPolarHBondContact OH-CG2 3.19Å; Y24-V90 HydrophobicContact CG-CG1 4.18Å; M26-V90 HydrophobicContact CE-CG2 4.28Å; V90-Y92 HydrophobicContact CB-CE2 4.12Å; V90-Y92 HydrophobicContact CG1-CD2 4.01Å; V90-Y92 HydrophobicContact CG1-CE2 3.49Å; V90-Y92 VanDerWaalsContact CG1-CE2 3.49Å; V90-F99 CarbonylContact O-C 3.48Å; V90-F99 WeakPolarHBondContact O-CA 3.3Å; V90-A100 PolarHBondContact O-N 2.84Å; V90-Y101 PolarHBondContact N-O 3.44Å
91	Y	76.4	Confident	77.5	Confident	58 Å²	58	67.1 Å²	67.1	23%	0.227	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	127.7	173.9	178.2	-91.8	0	0	0	111.3	W25 D93 W98	W25-Y91 PolarHBondContact O-N 3.26Å; W25-Y91 VanDerWaalsContact O-N 3.16Å; Y91-D93 HydrophobicContact CE1-CB 3.91Å; Y91-D93 PolarHBondContact OH-OD1 3.03Å; Y91-W98 HydrophobicContact CE2-CE3 4.15Å; Y91-W98 HydrophobicContact CE2-CZ3 4.48Å
92	Y	68.5	Low	77.4	Confident	39 Å²	39	67.3 Å²	67.3	15%	0.153	33%	0.328	C	S	.	.			trans	-107.9	127.5	173.6	-73.9	-105.2	0	0	0	108.8	Y19 Y24 V90 A100 Y101	Y19-Y92 VanDerWaalsContact CB-OH 3.27Å; Y19-Y92 WeakPolarHBondContact CB-OH 3.47Å; Y24-Y92 AromaticContact CD1-CD1 3.78Å; Y24-Y92 HydrophobicContact CD1-CD1 3.78Å; Y24-Y92 HydrophobicContact CD1-CD2 4.45Å; Y24-Y92 AromaticContact CD1-CE1 3.92Å; Y24-Y92 HydrophobicContact CD1-CE1 3.92Å; Y24-Y92 HydrophobicContact CD1-CG 4.06Å; Y24-Y92 AromaticContact CE1-CD1 3.13Å; Y24-Y92 HydrophobicContact CE1-CD1 3.13Å; Y24-Y92 AromaticContact CE1-CE1 3.27Å; Y24-Y92 HydrophobicContact CE1-CE1 3.27Å; Y24-Y92 AromaticContact CE1-CG 3.84Å; Y24-Y92 HydrophobicContact CE1-CG 3.84Å; Y24-Y92 AromaticContact CE2-CE1 3.94Å; Y24-Y92 HydrophobicContact CE2-CE1 3.94Å; Y24-Y92 HydrophobicContact CG-CE1 4.49Å; Y24-Y92 AromaticContact CZ-CD1 3.62Å; Y24-Y92 AromaticContact CZ-CE1 3.25Å; Y24-Y92 WeakPolarHBondContact OH-CE1 3.47Å; V90-Y92 HydrophobicContact CB-CE2 4.12Å; V90-Y92 HydrophobicContact CG1-CD2 4.01Å; V90-Y92 HydrophobicContact CG1-CE2 3.49Å; V90-Y92 VanDerWaalsContact CG1-CE2 3.49Å; Y92-A100 HydrophobicContact CD2-CB 3.34Å; Y92-A100 HydrophobicContact CE2-CB 3.61Å; Y92-A100 HydrophobicContact CG-CB 4.28Å; Y92-Y101 AromaticContact CE2-CD2 3.72Å; Y92-Y101 HydrophobicContact CE2-CD2 3.72Å; Y92-Y101 AromaticContact CE2-CE2 3.74Å; Y92-Y101 HydrophobicContact CE2-CE2 3.74Å; Y92-Y101 AromaticContact CZ-CE2 3.88Å
93	D	60.2	Low	77.3	Confident	126 Å²	126	68.5 Å²	68.5	67%	0.674	34%	0.341	S	S	*	.			trans	-88.7	-4.9	-178.5	-154.4	29.6	0	0	0	113.6	Y91	Y91-D93 HydrophobicContact CE1-CB 3.91Å; Y91-D93 PolarHBondContact OH-OD1 3.03Å
94	Y	52.2	Low	77.2	Confident	199 Å²	199	75.7 Å²	75.7	78%	0.78	37%	0.371	S	S	*	.	S	Bend	trans	-90.7	119.1	177.4	-74	-87	0	0	0	110.2	G96	Y94-G96 PolarHBondContact O-N 3.37Å
95	E	51	Low	77.1	Confident	198 Å²	198	77 Å²	77	93%	0.925	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	34.3	165.7	-54.3	-168.9	171.1	0	0	117.5
96	G	49.5	Very low	77	Confident	63 Å²	63	77.2 Å²	77.2	65%	0.649	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	16.5	160.2	0	0	0	0	0	116.8	Y94 W98	Y94-G96 PolarHBondContact O-N 3.37Å; G96-W98 PolarHBondContact O-N 3.11Å
97	A	53.4	Low	77	Confident	45 Å²	45	80.9 Å²	80.9	37%	0.372	41%	0.405	S	S	.	.			trans	-85.6	91.4	174.1	0	0	0	0	0	112.3	F99	A97-F99 PolarHBondContact O-N 2.82Å
98	W	54.9	Low	77	Confident	197 Å²	197	78.8 Å²	78.8	75%	0.746	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	114.6	169.5	-58.9	83.8	0	0	0	110	Y91 G96	Y91-W98 HydrophobicContact CE2-CE3 4.15Å; Y91-W98 HydrophobicContact CE2-CZ3 4.48Å; G96-W98 PolarHBondContact O-N 3.11Å
99	F	61	Low	77.1	Confident	58 Å²	58	80.6 Å²	80.6	25%	0.254	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	67.2	177.7	-53.4	-79.1	0	0	0	115.6	Q27 A89 V90 A97 Y101 W102	Q27-F99 HydrophobicContact CB-CD1 4.19Å; Q27-F99 HydrophobicContact CB-CE1 3.69Å; Q27-F99 HydrophobicContact CG-CD1 4.02Å; Q27-F99 HydrophobicContact CG-CE1 3.6Å; A89-F99 HydrophobicContact CB-CB 4.3Å; A89-F99 HydrophobicContact CB-CD1 3.62Å; A89-F99 HydrophobicContact CB-CE1 4.39Å; A89-F99 HydrophobicContact CB-CG 4.35Å; V90-F99 CarbonylContact O-C 3.48Å; V90-F99 WeakPolarHBondContact O-CA 3.3Å; A97-F99 PolarHBondContact O-N 2.82Å; F99-Y101 PolarHBondContact O-N 2.74Å; F99-Y101 VanDerWaalsContact O-N 3.17Å; F99-W102 HydrophobicContact CB-CZ2 3.92Å; F99-W102 HydrophobicContact CD1-CZ2 4.11Å; F99-W102 HydrophobicContact CD2-CZ2 4.03Å; F99-W102 AromaticContact CG-CZ2 3.78Å; F99-W102 HydrophobicContact CG-CZ2 3.78Å; F99-W102 PolarHBondContact O-NE1 3.39Å
100	A	67.6	Low	77.2	Confident	42 Å²	42	81 Å²	81	35%	0.347	41%	0.409	S	S	.	.	S	Bend	trans	-61.7	-26.7	-174.4	0	0	0	0	0	114.7	V90 Y92	V90-A100 PolarHBondContact O-N 2.84Å; Y92-A100 HydrophobicContact CD2-CB 3.34Å; Y92-A100 HydrophobicContact CE2-CB 3.61Å; Y92-A100 HydrophobicContact CG-CB 4.28Å
101	Y	82.2	Confident	77.3	Confident	141 Å²	141	83.2 Å²	83.2	55%	0.553	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140	134.4	178.6	-58.6	-77.7	0	0	0	111.2	A89 V90 Y92 F99	A89-Y101 CarbonylContact C-O 3.58Å; A89-Y101 WeakPolarHBondContact CA-O 3.31Å; A89-Y101 WeakPolarHBondContact CB-O 3.06Å; V90-Y101 PolarHBondContact N-O 3.44Å; Y92-Y101 AromaticContact CE2-CD2 3.72Å; Y92-Y101 HydrophobicContact CE2-CD2 3.72Å; Y92-Y101 AromaticContact CE2-CE2 3.74Å; Y92-Y101 HydrophobicContact CE2-CE2 3.74Å; Y92-Y101 AromaticContact CZ-CE2 3.88Å; F99-Y101 PolarHBondContact O-N 2.74Å; F99-Y101 VanDerWaalsContact O-N 3.17Å
102	W	90.7	Very high	77.5	Confident	103 Å²	103	87 Å²	87	39%	0.39	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.1	174.6	-72.1	74.8	0	0	0	110.6	V29 L37 Y87 A89 F99	V29-W102 HydrophobicContact CB-CH2 4.12Å; V29-W102 HydrophobicContact CB-CZ3 3.93Å; V29-W102 HydrophobicContact CG1-CH2 4.12Å; V29-W102 HydrophobicContact CG1-CZ3 4.15Å; V29-W102 HydrophobicContact CG2-CH2 3.81Å; V29-W102 HydrophobicContact CG2-CZ3 4Å; L37-W102 HydrophobicContact CD1-CH2 3.87Å; L37-W102 HydrophobicContact CD1-CZ2 4.42Å; L37-W102 HydrophobicContact CD1-CZ3 4.48Å; Y87-W102 HydrophobicContact CD1-CE3 4.38Å; Y87-W102 HydrophobicContact CG-CE3 4.1Å; Y87-W102 HydrophobicContact CG-CZ3 4.19Å; A89-W102 HydrophobicContact CB-CD2 3.7Å; A89-W102 HydrophobicContact CB-CE3 3.97Å; A89-W102 HydrophobicContact CB-CG 4.07Å; A89-W102 HydrophobicContact CB-CH2 4.4Å; A89-W102 HydrophobicContact CB-CZ2 4.17Å; A89-W102 HydrophobicContact CB-CZ3 4.32Å; F99-W102 HydrophobicContact CB-CZ2 3.92Å; F99-W102 HydrophobicContact CD1-CZ2 4.11Å; F99-W102 HydrophobicContact CD2-CZ2 4.03Å; F99-W102 AromaticContact CG-CZ2 3.78Å; F99-W102 HydrophobicContact CG-CZ2 3.78Å; F99-W102 PolarHBondContact O-NE1 3.39Å
103	G	92.3	Very high	78	Confident	27 Å²	27	89.4 Å²	89.4	28%	0.278	48%	0.484	S	S	.	.			trans	-69.7	160.7	164.6	0	0	0	0	0	111.3	Y87 C88 G105	Y87-G103 WeakPolarHBondContact CD1-O 3.49Å; C88-G103 PolarHBondContact O-N 3.06Å; G103-G105 PolarHBondContact O-N 2.99Å; G103-G105 VanDerWaalsContact O-N 3.09Å
104	Q	93.6	Very high	78.9	Confident	186 Å²	186	87.5 Å²	87.5	87%	0.869	47%	0.474	S	S	*	.			trans	-63.4	-16	178.6	-64.9	-64.8	-42.6	0	0	113.7
105	G	95.1	Very high	80.4	Confident	27 Å²	27	81.3 Å²	81.3	28%	0.278	46%	0.457	S	S	.	.			trans	85.7	149.1	-177.3	0	0	0	0	0	112.9	Y86 G103	Y86-G105 CarbonylContact O-C 3.51Å; Y86-G105 VanDerWaalsContact O-CA 3.24Å; Y86-G105 WeakPolarHBondContact O-CA 3.33Å; G103-G105 PolarHBondContact O-N 2.99Å; G103-G105 VanDerWaalsContact O-N 3.09Å
106	T	97.1	Very high	82.2	Confident	43 Å²	43	74.4 Å²	74.4	26%	0.264	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.5	176	-61.5	0	0	0	0	109	E2 L12 Y86 V108	E2-T106 HydrophobicContact CG-CG2 4.28Å; L12-T106 HydrophobicContact CD2-CG2 3.86Å; Y86-T106 PolarHBondContact N-O 3.5Å; Y86-T106 PolarHBondContact O-N 2.85Å; T106-V108 PolarHBondContact O-N 2.59Å
107	L	97.2	Very high	84.2	Confident	81 Å²	81	75.1 Å²	75.1	42%	0.424	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	123.2	169.1	177.5	64.2	0	0	0	109.3	A1 E2 V85	A1-L107 CarbonylContact C-O 3.47Å; A1-L107 WeakPolarHBondContact CA-O 3.44Å; A1-L107 HydrophobicContact CB-CB 4.05Å; E2-L107 PolarHBondContact N-O 3.38Å; V85-L107 HydrophobicContact CG2-CD1 4.15Å
108	V	97	Very high	86.3	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.8	165.9	178.4	0	0	0	0	107.3	E2 V10 L12 S83 A84 Y86 T106 V110	E2-V108 HydrophobicContact CB-CG2 4.33Å; E2-V108 CarbonylContact O-C 3.38Å; E2-V108 WeakPolarHBondContact O-CA 3.45Å; V10-V108 HydrophobicContact CG1-CG1 4.26Å; V10-V108 HydrophobicContact CG1-CG2 4.46Å; L12-V108 HydrophobicContact CD1-CG2 4.13Å; L12-V108 HydrophobicContact CD2-CG2 3.97Å; S83-V108 CarbonylContact C-O 3.51Å; S83-V108 VanDerWaalsContact CA-O 3.24Å; S83-V108 WeakPolarHBondContact CA-O 3.32Å; A84-V108 PolarHBondContact N-O 2.92Å; A84-V108 PolarHBondContact O-N 2.84Å; Y86-V108 HydrophobicContact CD2-CB 3.88Å; Y86-V108 HydrophobicContact CD2-CG2 3.58Å; Y86-V108 HydrophobicContact CE2-CB 3.74Å; Y86-V108 HydrophobicContact CE2-CG2 3.89Å; T106-V108 PolarHBondContact O-N 2.59Å; V108-V110 HydrophobicContact CG1-CG2 4.36Å
109	T	96.8	Very high	88.5	Confident	53 Å²	53	68.6 Å²	68.6	33%	0.325	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.4	176.6	-59.1	0	0	0	0	108.9	E2 L3 A4	E2-T109 PolarHBondContact O-N 3.47Å; L3-T109 HydrophobicContact CD1-CG2 4.03Å; A4-T109 PolarHBondContact N-O 2.65Å
110	V	95.4	Very high	90.6	Very high	8 Å²	8	69.4 Å²	69.4	5%	0.048	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	106.8	177.2	-172.1	0	0	0	0	108.9	A4 P6 L78 A79 D82 S83 V108	A4-V110 VanDerWaalsContact O-CA 3.3Å; A4-V110 WeakPolarHBondContact O-CA 3.34Å; P6-V110 HydrophobicContact CG-CG1 4.21Å; L78-V110 HydrophobicContact CB-CG1 4.16Å; L78-V110 HydrophobicContact CB-CG2 3.96Å; L78-V110 HydrophobicContact CD1-CG2 4.24Å; L78-V110 HydrophobicContact CD2-CG2 4.29Å; L78-V110 HydrophobicContact CG-CG2 4.4Å; A79-V110 WeakPolarHBondContact O-CB 3.42Å; D82-V110 HydrophobicContact CB-CG2 4.24Å; S83-V110 PolarHBondContact OG-N 2.81Å; V108-V110 HydrophobicContact CG1-CG2 4.36Å
111	S	92.2	Very high	92.5	Very high	54 Å²	54	71.7 Å²	71.7	38%	0.378	41%	0.412	S	S	.	.			trans	-137	151.2	-179.5	65.2	0	0	0	0	111.5	A4 P6	A4-S111 PolarHBondContact O-N 3.3Å; A4-S111 VanDerWaalsContact O-N 3.08Å; P6-S111 WeakPolarHBondContact CD-O 3.41Å
112	A	80.7	Confident	93.5	Very high	137 Å²	137	65.4 Å²	65.4	100%	1.132	40%	0.399	S	S	*	.			trans	-69.6	0	174.8	0	0	0	0	0	111.8

Retrieved 112 of 112 residues in 38.9 ms (Link to these results)

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