X5J524_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J524, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 102 aa.

						>X5J524_MOUSE|X5J524
PGASVKLSCTASGFNIKDYYMHWVKQRTEQGLEWIGRIDPEDGETKYAPKFQGKATITADTSSNTAYLQLSSLTSEDTAVYYCYGNYYFDYWGQGTTLTVSS
					

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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	P	55.8	Low	89.4	Confident	147 Å²	147	64.2 Å²	64.2	96%	0.955	42%	0.423	S	S	*	.				0	124.4	0	4.7	17.7	0	0	0	110.9	L73	P1-L73 WeakPolarHBondContact CA-O 3.43Å
2	G	74.5	Confident	89.5	Confident	47 Å²	47	67.7 Å²	67.7	49%	0.485	45%	0.45	S	S	.	.			trans	130.4	-7.7	-174.5	0	0	0	0	0	115.5	L73	G2-L73 PolarHBondContact N-O 2.88Å
3	A	87.3	Confident	89.3	Confident	70 Å²	70	69.1 Å²	69.1	58%	0.579	48%	0.483	S	S	*	.			trans	-66.2	150.9	171.8	0	0	0	0	0	110.5	S72 L73	A3-S72 PolarHBondContact O-N 2.9Å; A3-L73 WeakPolarHBondContact O-CB 3.4Å; A3-L73 WeakPolarHBondContact O-CG 3.35Å; A3-L73 PolarHBondContact O-N 3.45Å; A3-L73 VanDerWaalsContact O-N 3.11Å
4	S	93.8	Very high	89.2	Confident	70 Å²	70	66.6 Å²	66.6	49%	0.49	46%	0.46	S	S	.	.			trans	-116.1	146.7	172.2	-58.1	0	0	0	0	109.6	L70 S71	S4-L70 CarbonylContact C-O 3.53Å; S4-L70 WeakPolarHBondContact CA-O 3.02Å; S4-L70 WeakPolarHBondContact CB-O 3.34Å; S4-S71 WeakPolarHBondContact OG-CA 3.3Å
5	V	96.2	Very high	89.3	Confident	39 Å²	39	66.8 Å²	66.8	24%	0.236	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.9	173.3	72.7	0	0	0	0	109.5	L7 Q69 L70 L73 L98	V5-L7 HydrophobicContact CG1-CD2 4.48Å; V5-L7 HydrophobicContact CG2-CD2 4.12Å; V5-Q69 CarbonylContact O-C 3.57Å; V5-Q69 VanDerWaalsContact O-CA 3.29Å; V5-Q69 WeakPolarHBondContact O-CA 3.39Å; V5-L70 HydrophobicContact CG1-CB 4.16Å; V5-L70 HydrophobicContact CG1-CD1 4.4Å; V5-L70 PolarHBondContact N-O 2.97Å; V5-L70 PolarHBondContact O-N 3.36Å; V5-L73 HydrophobicContact CB-CD1 4.05Å; V5-L73 HydrophobicContact CG1-CD1 3.88Å; V5-L98 HydrophobicContact CB-CD1 4.43Å; V5-L98 HydrophobicContact CG1-CD1 4.13Å; V5-L98 HydrophobicContact CG1-CD2 3.85Å; V5-L98 HydrophobicContact CG2-CD1 4.29Å
6	K	97.6	Very high	89.6	Confident	119 Å²	119	62.6 Å²	62.6	52%	0.517	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	116	171.8	-174.5	176.7	177.6	-176.3	0	108.7	Y67 L68	K6-Y67 HydrophobicContact CD-CD1 4.39Å; K6-Y67 HydrophobicContact CG-CD1 4.4Å; K6-L68 CarbonylContact C-O 3.56Å; K6-L68 WeakPolarHBondContact CA-O 3.13Å
7	L	97.8	Very high	89.8	Confident	18 Å²	18	63.9 Å²	63.9	9%	0.094	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	148.4	173.1	-52.6	-178.3	0	0	0	109.1	V5 W23 Y67 L68 Y81 T96	V5-L7 HydrophobicContact CG1-CD2 4.48Å; V5-L7 HydrophobicContact CG2-CD2 4.12Å; L7-W23 HydrophobicContact CB-CH2 3.98Å; L7-W23 HydrophobicContact CB-CZ3 4.02Å; L7-W23 HydrophobicContact CD1-CZ3 4.37Å; L7-Y67 CarbonylContact O-C 3.51Å; L7-Y67 WeakPolarHBondContact O-CA 3.3Å; L7-L68 HydrophobicContact CB-CB 4.45Å; L7-L68 HydrophobicContact CD1-CD2 4.36Å; L7-L68 PolarHBondContact N-O 2.91Å; L7-L68 PolarHBondContact O-N 3.01Å; L7-Y81 HydrophobicContact CD1-CD1 4.08Å; L7-Y81 HydrophobicContact CD1-CD2 4.24Å; L7-Y81 HydrophobicContact CD1-CG 3.69Å; L7-T96 HydrophobicContact CD2-CG2 4Å
8	S	97.6	Very high	89.9	Confident	80 Å²	80	66.3 Å²	66.3	56%	0.559	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	149.5	175.5	56.9	0	0	0	0	110.9	A66	S8-A66 CarbonylContact C-O 3.55Å; S8-A66 WeakPolarHBondContact CA-O 3.29Å
9	C	96	Very high	89.9	Confident	15 Å²	15	65.4 Å²	65.4	10%	0.101	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	105.7	176.3	176.4	0	0	0	0	109.1	W23 T65 A66 C83	C9-W23 HydrophobicContact CB-CH2 3.68Å; C9-W23 HydrophobicContact CB-CZ2 3.71Å; C9-T65 CarbonylContact O-C 3.56Å; C9-T65 WeakPolarHBondContact O-CA 3.39Å; C9-A66 PolarHBondContact N-O 3.39Å; C9-A66 PolarHBondContact O-N 3.31Å; C9-C83 HydrophobicContact CB-CB 3.52Å; C9-C83 WeakPolarHBondContact CB-SG 3.14Å; C9-C83 WeakPolarHBondContact SG-CB 3.45Å; C9-C83 CovalentContact SG-SG 2.02Å; C9-C83 PolarHBondContact SG-SG 3.16Å
10	T	95.6	Very high	90.1	Very high	92 Å²	92	66.4 Å²	66.4	56%	0.564	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	120.9	179.5	-55.7	0	0	0	0	109.6	N64 T65	T10-N64 WeakPolarHBondContact CA-O 3.09Å; T10-T65 WeakPolarHBondContact CB-OG1 3.47Å; T10-T65 PolarHBondContact OG1-OG1 3.27Å
11	A	91.6	Very high	90.4	Very high	9 Å²	9	63.3 Å²	63.3	7%	0.074	39%	0.394	C	S	.	.			trans	-71.9	138.7	173.9	0	0	0	0	0	110.2	F14 I16 N64	A11-F14 HydrophobicContact CB-CD1 4.44Å; A11-F14 HydrophobicContact CB-CD2 4Å; A11-F14 HydrophobicContact CB-CE1 3.88Å; A11-F14 HydrophobicContact CB-CE2 3.39Å; A11-F14 HydrophobicContact CB-CZ 3.33Å; A11-I16 HydrophobicContact CB-CB 4.19Å; A11-I16 HydrophobicContact CB-CD1 4.21Å; A11-I16 HydrophobicContact CB-CG1 4.29Å; A11-N64 VanDerWaalsContact CB-ND2 3.35Å; A11-N64 WeakPolarHBondContact CB-ND2 3.43Å; A11-N64 PolarHBondContact N-O 2.82Å; A11-N64 PolarHBondContact O-ND2 3.22Å
12	S	89.9	Confident	92.3	Very high	106 Å²	106	57.1 Å²	57.1	74%	0.741	35%	0.353	S	S	*	.			trans	-132.6	137.6	176.6	-177	0	0	0	0	108.9	F14	S12-F14 VanDerWaalsContact C-N 3.3Å; S12-F14 WeakPolarHBondContact O-CD1 3.42Å; S12-F14 PolarHBondContact O-N 2.69Å
13	G	87.5	Confident	93.4	Very high	86 Å²	86	55.2 Å²	55.2	89%	0.887	33%	0.331	S	S	*	.	S	Bend	trans	83	-1.5	-177.6	0	0	0	0	0	115.2
14	F	87.1	Confident	93.8	Very high	35 Å²	35	52.1 Å²	52.1	15%	0.154	31%	0.305	C	S	.	.	S	Bend	trans	-152.5	159.2	176.2	66.6	-92.7	0	0	0	111.8	A11 S12 Y19 M21 N64 Y91	A11-F14 HydrophobicContact CB-CD1 4.44Å; A11-F14 HydrophobicContact CB-CD2 4Å; A11-F14 HydrophobicContact CB-CE1 3.88Å; A11-F14 HydrophobicContact CB-CE2 3.39Å; A11-F14 HydrophobicContact CB-CZ 3.33Å; S12-F14 VanDerWaalsContact C-N 3.3Å; S12-F14 WeakPolarHBondContact O-CD1 3.42Å; S12-F14 PolarHBondContact O-N 2.69Å; F14-Y19 HydrophobicContact CB-CD2 4.49Å; F14-Y19 HydrophobicContact CB-CE2 3.72Å; F14-Y19 AromaticContact CD2-CD2 3.26Å; F14-Y19 HydrophobicContact CD2-CD2 3.26Å; F14-Y19 AromaticContact CD2-CE2 3.39Å; F14-Y19 HydrophobicContact CD2-CE2 3.39Å; F14-Y19 HydrophobicContact CD2-CG 4.3Å; F14-Y19 AromaticContact CE2-CD2 3.67Å; F14-Y19 HydrophobicContact CE2-CD2 3.67Å; F14-Y19 HydrophobicContact CE2-CE2 4.23Å; F14-Y19 HydrophobicContact CE2-CG 4.36Å; F14-Y19 HydrophobicContact CG-CD2 4.14Å; F14-Y19 AromaticContact CG-CE2 3.83Å; F14-Y19 HydrophobicContact CG-CE2 3.83Å; F14-M21 HydrophobicContact CE2-SD 4.29Å; F14-M21 HydrophobicContact CZ-SD 4.42Å; F14-N64 PolarHBondContact O-ND2 3.48Å; F14-Y91 HydrophobicContact CE1-CG 4.22Å
15	N	91.9	Very high	93.9	Very high	69 Å²	69	48.9 Å²	48.9	37%	0.369	28%	0.282	S	S	.	.			trans	-83.8	122.8	172.8	176.7	4.4	0	0	0	109.6	K17 D18 Y19	N15-K17 PolarHBondContact O-N 2.69Å; N15-K17 VanDerWaalsContact O-N 3.16Å; N15-K17 PolarHBondContact OD1-N 3.06Å; N15-K17 VanDerWaalsContact OD1-N 3.15Å; N15-D18 WeakPolarHBondContact CB-OD2 3.26Å; N15-D18 PolarHBondContact O-N 3.35Å; N15-D18 VanDerWaalsContact O-N 3.11Å; N15-Y19 VanDerWaalsContact O-CD2 3.31Å; N15-Y19 WeakPolarHBondContact O-CD2 3.35Å; N15-Y19 WeakPolarHBondContact O-CE2 3.39Å
16	I	93.2	Very high	93.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-61.8	-25	-174.8	-159.4	162.7	0	0	0	112.6	A11 D18 Y19 M21 P40 T61 N64 A66	A11-I16 HydrophobicContact CB-CB 4.19Å; A11-I16 HydrophobicContact CB-CD1 4.21Å; A11-I16 HydrophobicContact CB-CG1 4.29Å; I16-D18 PolarHBondContact O-N 3.04Å; I16-Y19 PolarHBondContact O-N 3.41Å; I16-Y19 VanDerWaalsContact O-O 3.14Å; I16-M21 HydrophobicContact CD1-CE 4.41Å; I16-M21 HydrophobicContact CD1-CG 3.88Å; I16-M21 HydrophobicContact CD1-SD 4.23Å; I16-M21 HydrophobicContact CG1-CG 3.55Å; I16-M21 HydrophobicContact CG1-SD 3.85Å; I16-P40 HydrophobicContact CG1-CB 4.34Å; I16-P40 HydrophobicContact CG1-CG 3.95Å; I16-P40 HydrophobicContact CG2-CB 4.21Å; I16-P40 VanDerWaalsContact O-CG 3.23Å; I16-P40 WeakPolarHBondContact O-CG 3.46Å; I16-T61 HydrophobicContact CG2-CG2 4.18Å; I16-N64 WeakPolarHBondContact CB-OD1 3.34Å; I16-N64 VanDerWaalsContact CG2-OD1 3.27Å; I16-N64 WeakPolarHBondContact CG2-OD1 3.24Å; I16-N64 PolarHBondContact N-OD1 3.08Å; I16-A66 HydrophobicContact CD1-CB 4Å
17	K	94	Very high	93.6	Very high	85 Å²	85	47 Å²	47	37%	0.37	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-62.9	-26.7	176.5	-71.8	-171.3	173.3	-170	0	113.6	N15 Y19 T61	N15-K17 PolarHBondContact O-N 2.69Å; N15-K17 VanDerWaalsContact O-N 3.16Å; N15-K17 PolarHBondContact OD1-N 3.06Å; N15-K17 VanDerWaalsContact OD1-N 3.15Å; K17-Y19 PolarHBondContact O-N 2.9Å; K17-T61 HydrophobicContact CD-CG2 4.09Å; K17-T61 VanDerWaalsContact CE-CG2 3.45Å; K17-T61 WeakPolarHBondContact CE-OG1 3.01Å; K17-T61 HydrophobicContact CG-CG2 3.45Å; K17-T61 VanDerWaalsContact CG-CG2 3.45Å
18	D	91.4	Very high	92.6	Very high	107 Å²	107	53.5 Å²	53.5	57%	0.572	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-84.2	1.4	-173.2	-51.8	-29.4	0	0	0	112	N15 I16	N15-D18 WeakPolarHBondContact CB-OD2 3.26Å; N15-D18 PolarHBondContact O-N 3.35Å; N15-D18 VanDerWaalsContact O-N 3.11Å; I16-D18 PolarHBondContact O-N 3.04Å
19	Y	90.2	Very high	91.9	Very high	48 Å²	48	58.9 Å²	58.9	19%	0.188	33%	0.327	C	S	.	.	S	Bend	trans	-142.7	142.1	-172.5	-52.2	-79.1	0	0	0	113.6	F14 N15 I16 K17 M21 P40 Y87	F14-Y19 HydrophobicContact CB-CD2 4.49Å; F14-Y19 HydrophobicContact CB-CE2 3.72Å; F14-Y19 AromaticContact CD2-CD2 3.26Å; F14-Y19 HydrophobicContact CD2-CD2 3.26Å; F14-Y19 AromaticContact CD2-CE2 3.39Å; F14-Y19 HydrophobicContact CD2-CE2 3.39Å; F14-Y19 HydrophobicContact CD2-CG 4.3Å; F14-Y19 AromaticContact CE2-CD2 3.67Å; F14-Y19 HydrophobicContact CE2-CD2 3.67Å; F14-Y19 HydrophobicContact CE2-CE2 4.23Å; F14-Y19 HydrophobicContact CE2-CG 4.36Å; F14-Y19 HydrophobicContact CG-CD2 4.14Å; F14-Y19 AromaticContact CG-CE2 3.83Å; F14-Y19 HydrophobicContact CG-CE2 3.83Å; N15-Y19 VanDerWaalsContact O-CD2 3.31Å; N15-Y19 WeakPolarHBondContact O-CD2 3.35Å; N15-Y19 WeakPolarHBondContact O-CE2 3.39Å; I16-Y19 PolarHBondContact O-N 3.41Å; I16-Y19 VanDerWaalsContact O-O 3.14Å; K17-Y19 PolarHBondContact O-N 2.9Å; Y19-M21 PolarHBondContact O-N 2.88Å; Y19-P40 WeakPolarHBondContact O-CD 3.49Å; Y19-Y87 HydrophobicContact CD1-CD2 4.14Å; Y19-Y87 HydrophobicContact CD1-CG 4.36Å; Y19-Y87 AromaticContact CE1-CD2 3.44Å; Y19-Y87 HydrophobicContact CE1-CD2 3.44Å; Y19-Y87 VanDerWaalsContact CE1-CD2 3.44Å; Y19-Y87 HydrophobicContact CE1-CE2 4.35Å; Y19-Y87 AromaticContact CE1-CG 3.57Å; Y19-Y87 HydrophobicContact CE1-CG 3.57Å
20	Y	93.8	Very high	91.2	Very high	86 Å²	86	62.7 Å²	62.7	34%	0.337	34%	0.344	S	S	.	.			trans	-63.3	128.9	161.1	-63.8	-62.5	0	0	0	110.8	H22 R37 I38 D39 N86	Y20-H22 WeakPolarHBondContact CB-NE2 3.26Å; Y20-H22 PolarHBondContact O-CD2 3.37Å; Y20-R37 VanDerWaalsContact CD1-NH1 3.26Å; Y20-I38 WeakPolarHBondContact CA-O 3.18Å; Y20-D39 HydrophobicContact CD1-CB 3.82Å; Y20-D39 HydrophobicContact CE1-CB 3.56Å; Y20-D39 WeakPolarHBondContact CE1-OD2 3.19Å; Y20-D39 PolarHBondContact OH-OD2 3.28Å; Y20-N86 PolarHBondContact O-N 2.8Å
21	M	95.1	Very high	90.9	Very high	2 Å²	2	61 Å²	61	1%	0.01	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	113.4	174.8	-65.7	-58	-59.2	0	0	109.3	F14 I16 Y19 R37 I38 P40 A66	F14-M21 HydrophobicContact CE2-SD 4.29Å; F14-M21 HydrophobicContact CZ-SD 4.42Å; I16-M21 HydrophobicContact CD1-CE 4.41Å; I16-M21 HydrophobicContact CD1-CG 3.88Å; I16-M21 HydrophobicContact CD1-SD 4.23Å; I16-M21 HydrophobicContact CG1-CG 3.55Å; I16-M21 HydrophobicContact CG1-SD 3.85Å; Y19-M21 PolarHBondContact O-N 2.88Å; M21-R37 CarbonylContact O-C 3.54Å; M21-R37 WeakPolarHBondContact O-CA 3.23Å; M21-I38 HydrophobicContact CB-CG2 3.93Å; M21-I38 PolarHBondContact N-O 2.73Å; M21-I38 PolarHBondContact O-N 2.82Å; M21-P40 HydrophobicContact CB-CG 4.48Å; M21-P40 HydrophobicContact CG-CG 3.84Å; M21-A66 HydrophobicContact CB-CB 3.98Å; M21-A66 HydrophobicContact CE-CB 4.49Å; M21-A66 HydrophobicContact CG-CB 4.17Å
22	H	96.1	Very high	90.9	Very high	17 Å²	17	65.1 Å²	65.1	8%	0.079	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	149.4	-177.7	-67	-110.3	0	0	0	110.8	Y20 W34 G36 C83 Y84 N86	Y20-H22 WeakPolarHBondContact CB-NE2 3.26Å; Y20-H22 PolarHBondContact O-CD2 3.37Å; H22-W34 AromaticContact ND1-NE1 3.25Å; H22-W34 PolarHBondContact ND1-NE1 3.03Å; H22-G36 WeakPolarHBondContact CA-O 3.11Å; H22-C83 CarbonylContact O-C 3.6Å; H22-C83 WeakPolarHBondContact O-CA 3.26Å; H22-Y84 HydrophobicContact CB-CD1 3.88Å; H22-Y84 HydrophobicContact CB-CD2 3.94Å; H22-Y84 HydrophobicContact CB-CE1 3.45Å; H22-Y84 VanDerWaalsContact CB-CE1 3.45Å; H22-Y84 HydrophobicContact CB-CE2 3.5Å; H22-Y84 VanDerWaalsContact CB-CE2 3.5Å; H22-Y84 HydrophobicContact CB-CG 4.11Å; H22-Y84 AromaticContact CD2-CE2 3.69Å; H22-Y84 AromaticContact CG-CE2 3.5Å; H22-Y84 VanDerWaalsContact CG-CE2 3.5Å; H22-Y84 AromaticContact CG-CZ 3.51Å; H22-Y84 PolarHBondContact N-O 2.78Å; H22-Y84 AromaticContact ND1-CZ 3.85Å; H22-Y84 PolarHBondContact ND1-OH 2.84Å; H22-Y84 PolarHBondContact O-N 3.15Å; H22-N86 PolarHBondContact NE2-ND2 2.93Å
23	W	97.6	Very high	91.2	Very high	6 Å²	6	61.9 Å²	61.9	2%	0.023	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	135.4	172.1	-71.2	90.8	0	0	0	110.5	L7 C9 I35 G36 L68 Y82 C83	L7-W23 HydrophobicContact CB-CH2 3.98Å; L7-W23 HydrophobicContact CB-CZ3 4.02Å; L7-W23 HydrophobicContact CD1-CZ3 4.37Å; C9-W23 HydrophobicContact CB-CH2 3.68Å; C9-W23 HydrophobicContact CB-CZ2 3.71Å; W23-I35 HydrophobicContact CB-CB 4.19Å; W23-I35 HydrophobicContact CB-CD1 4.44Å; W23-I35 WeakPolarHBondContact O-CB 3.45Å; W23-I35 PolarHBondContact O-N 3.25Å; W23-G36 PolarHBondContact N-O 2.9Å; W23-L68 HydrophobicContact CB-CD2 4.14Å; W23-L68 HydrophobicContact CD2-CB 3.56Å; W23-L68 HydrophobicContact CD2-CD2 3.93Å; W23-L68 HydrophobicContact CD2-CG 4.32Å; W23-L68 HydrophobicContact CE3-CB 3.83Å; W23-L68 HydrophobicContact CE3-CD2 3.75Å; W23-L68 HydrophobicContact CE3-CG 4.44Å; W23-L68 HydrophobicContact CG-CB 4.04Å; W23-L68 HydrophobicContact CG-CD2 4.12Å; W23-L68 HydrophobicContact CH2-CB 4.1Å; W23-L68 HydrophobicContact CZ2-CB 3.86Å; W23-L68 HydrophobicContact CZ3-CB 4.08Å; W23-L68 HydrophobicContact CZ3-CD2 4.43Å; W23-Y82 WeakPolarHBondContact CA-O 3.43Å; W23-C83 HydrophobicContact CD2-CB 4.2Å; W23-C83 HydrophobicContact CE3-CB 4.11Å; W23-C83 HydrophobicContact CH2-CB 4.18Å; W23-C83 HydrophobicContact CZ2-CB 4.25Å; W23-C83 HydrophobicContact CZ3-CB 4.1Å
24	V	96.6	Very high	91.6	Very high	5 Å²	5	61.9 Å²	61.9	3%	0.03	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	154	175.1	-61.8	0	0	0	0	109.7	L32 E33 W34 Y81 Y82 Y84 W92	V24-L32 HydrophobicContact CG2-CD2 4.06Å; V24-E33 CarbonylContact C-O 3.59Å; V24-E33 VanDerWaalsContact CA-O 3.24Å; V24-E33 WeakPolarHBondContact CA-O 3.23Å; V24-W34 HydrophobicContact CG1-CB 4.32Å; V24-Y81 WeakPolarHBondContact O-CA 3.44Å; V24-Y82 HydrophobicContact CG2-CD2 4.24Å; V24-Y82 HydrophobicContact CG2-CG 4.45Å; V24-Y82 PolarHBondContact N-O 2.88Å; V24-Y82 PolarHBondContact O-N 2.96Å; V24-Y84 HydrophobicContact CG1-CE1 3.76Å; V24-W92 HydrophobicContact CG2-CH2 4.05Å; V24-W92 HydrophobicContact CG2-CZ3 3.63Å
25	K	95.4	Very high	92.1	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.009	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	149.7	166.7	70.7	176.9	-156.9	178.3	0	111.1	E33 I35 F51 A79 V80 Y81	K25-E33 WeakPolarHBondContact CE-OE1 3.44Å; K25-E33 HydrophobicContact CG-CB 3.88Å; K25-E33 PolarHBondContact N-O 2.78Å; K25-E33 IonicContact NZ-OE1 2.6Å; K25-E33 PolarHBondContact O-N 3.14Å; K25-I35 HydrophobicContact CB-CD1 4.15Å; K25-I35 HydrophobicContact CG-CD1 4.49Å; K25-F51 HydrophobicContact CD-CE1 3.97Å; K25-F51 HydrophobicContact CD-CZ 3.77Å; K25-F51 HydrophobicContact CG-CZ 4.22Å; K25-A79 HydrophobicContact CB-CB 4.06Å; K25-A79 HydrophobicContact CD-CB 4.4Å; K25-V80 CarbonylContact C-O 3.54Å; K25-V80 WeakPolarHBondContact CA-O 3.22Å; K25-Y81 HydrophobicContact CB-CD1 3.82Å; K25-Y81 HydrophobicContact CB-CE1 3.66Å; K25-Y81 HydrophobicContact CB-CG 4.35Å; K25-Y81 HydrophobicContact CD-CE1 4.17Å
26	Q	95.3	Very high	92.4	Very high	75 Å²	75	56.9 Å²	56.9	35%	0.35	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.1	175.7	-166.2	-178.4	16.9	0	0	109.2	L32 A79 V80 Y82	Q26-L32 HydrophobicContact CB-CD2 3.86Å; Q26-L32 HydrophobicContact CG-CD2 4.09Å; Q26-A79 WeakPolarHBondContact O-CA 3.31Å; Q26-A79 VanDerWaalsContact O-CB 3.3Å; Q26-A79 WeakPolarHBondContact O-CB 3.36Å; Q26-V80 PolarHBondContact N-O 3.11Å; Q26-V80 PolarHBondContact O-N 2.83Å; Q26-Y82 HydrophobicContact CB-CD2 4.44Å; Q26-Y82 HydrophobicContact CB-CE2 3.76Å; Q26-Y82 PolarHBondContact OE1-OH 3.14Å
27	R	91.4	Very high	92.6	Very high	44 Å²	44	58.1 Å²	58.1	17%	0.166	29%	0.291	C	S	.	.			trans	-97.3	153.2	168.6	-61.1	-177.5	-180	152	-11.4	109.1	E29 Q30 E33 E76 A79	R27-E29 PolarHBondContact O-N 3.14Å; R27-Q30 HydrophobicContact CB-CB 4.12Å; R27-Q30 HydrophobicContact CB-CG 4.43Å; R27-Q30 PolarHBondContact O-N 3.46Å; R27-E33 IonicContact CZ-OE1 3.3Å; R27-E33 IonicContact NH1-OE1 2.79Å; R27-E76 VanDerWaalsContact CZ-O 3.26Å; R27-E76 PolarHBondContact NE-O 2.95Å; R27-E76 VanDerWaalsContact NE-O 3.08Å; R27-E76 PolarHBondContact NH2-O 3.11Å; R27-A79 HydrophobicContact CG-CB 4.07Å
28	T	78.4	Confident	92.7	Very high	155 Å²	155	54.4 Å²	54.4	95%	0.951	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-18.3	-173.7	-33.8	0	0	0	0	114.3
29	E	82.1	Confident	93	Very high	193 Å²	193	49.9 Å²	49.9	90%	0.902	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.6	5.9	-179.7	-59.4	-178.6	176.1	0	0	113.5	R27	R27-E29 PolarHBondContact O-N 3.14Å
30	Q	81.5	Confident	93.3	Very high	95 Å²	95	48.1 Å²	48.1	44%	0.444	25%	0.245	S	C	.	.	S	Bend	trans	-125.1	150	-178	-60.8	179.3	-8.8	0	0	110.3	R27 E33	R27-Q30 HydrophobicContact CB-CB 4.12Å; R27-Q30 HydrophobicContact CB-CG 4.43Å; R27-Q30 PolarHBondContact O-N 3.46Å; Q30-E33 PolarHBondContact OE1-OE1 2.69Å
31	G	87.9	Confident	93.4	Very high	57 Å²	57	51 Å²	51	59%	0.588	26%	0.262	S	S	*	.			trans	-62.2	179.6	172.8	0	0	0	0	0	112.5	E33	G31-E33 PolarHBondContact O-N 3.48Å
32	L	92.9	Very high	93.4	Very high	95 Å²	95	56.4 Å²	56.4	50%	0.497	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	121.7	174.6	-65.1	172	0	0	0	110.3	V24 Q26 Y82 W92	V24-L32 HydrophobicContact CG2-CD2 4.06Å; Q26-L32 HydrophobicContact CB-CD2 3.86Å; Q26-L32 HydrophobicContact CG-CD2 4.09Å; L32-Y82 HydrophobicContact CD2-CD2 4.38Å; L32-Y82 HydrophobicContact CD2-CE2 4.46Å; L32-W92 HydrophobicContact CD1-CH2 3.77Å; L32-W92 HydrophobicContact CD1-CZ3 4.22Å
33	E	95.4	Very high	93.4	Very high	37 Å²	37	57.6 Å²	57.6	17%	0.173	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117.9	171.1	-66.9	-174.4	-107	0	0	109.2	V24 K25 R27 Q30 G31 K50	V24-E33 CarbonylContact C-O 3.59Å; V24-E33 VanDerWaalsContact CA-O 3.24Å; V24-E33 WeakPolarHBondContact CA-O 3.23Å; K25-E33 WeakPolarHBondContact CE-OE1 3.44Å; K25-E33 HydrophobicContact CG-CB 3.88Å; K25-E33 PolarHBondContact N-O 2.78Å; K25-E33 IonicContact NZ-OE1 2.6Å; K25-E33 PolarHBondContact O-N 3.14Å; R27-E33 IonicContact CZ-OE1 3.3Å; R27-E33 IonicContact NH1-OE1 2.79Å; Q30-E33 PolarHBondContact OE1-OE1 2.69Å; G31-E33 PolarHBondContact O-N 3.48Å; E33-K50 IonicContact OE1-NZ 2.73Å; E33-K50 IonicContact OE2-NZ 3.76Å; E33-K50 PolarHBondContact OE2-NZ 2.99Å
34	W	96.2	Very high	93.4	Very high	86 Å²	86	60.8 Å²	60.8	33%	0.326	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130.1	175.5	-174.8	72.7	0	0	0	111.6	H22 V24 G36 R37 K46 A48 F51	H22-W34 AromaticContact ND1-NE1 3.25Å; H22-W34 PolarHBondContact ND1-NE1 3.03Å; V24-W34 HydrophobicContact CG1-CB 4.32Å; W34-G36 VanDerWaalsContact CE2-C 3.46Å; W34-G36 PolarHBondContact NE1-O 3.16Å; W34-G36 VanDerWaalsContact NE1-O 3.16Å; W34-R37 HydrophobicContact CZ2-CB 4.03Å; W34-R37 HydrophobicContact CZ2-CG 4.08Å; W34-K46 HydrophobicContact CH2-CB 4.03Å; W34-A48 HydrophobicContact CE3-CB 3.79Å; W34-A48 HydrophobicContact CZ3-CB 4.1Å; W34-A48 VanDerWaalsContact O-CB 3.23Å; W34-A48 WeakPolarHBondContact O-CB 3.46Å; W34-F51 WeakPolarHBondContact O-CE2 3.45Å
35	I	97.7	Very high	93.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-50.9	-178.8	-61.1	175.3	0	0	0	109.9	W23 K25 Y47 A48 F51 A55 L68 Y81	W23-I35 HydrophobicContact CB-CB 4.19Å; W23-I35 HydrophobicContact CB-CD1 4.44Å; W23-I35 WeakPolarHBondContact O-CB 3.45Å; W23-I35 PolarHBondContact O-N 3.25Å; K25-I35 HydrophobicContact CB-CD1 4.15Å; K25-I35 HydrophobicContact CG-CD1 4.49Å; I35-Y47 WeakPolarHBondContact O-CA 3.13Å; I35-A48 PolarHBondContact O-N 3.16Å; I35-F51 HydrophobicContact CB-CD2 4.21Å; I35-F51 HydrophobicContact CB-CE2 4.43Å; I35-F51 HydrophobicContact CB-CG 4.28Å; I35-F51 HydrophobicContact CD1-CE1 4.49Å; I35-F51 HydrophobicContact CG1-CD1 4.23Å; I35-F51 HydrophobicContact CG1-CD2 4.19Å; I35-F51 HydrophobicContact CG1-CE1 3.99Å; I35-F51 HydrophobicContact CG1-CE2 3.96Å; I35-F51 HydrophobicContact CG1-CG 4.32Å; I35-F51 HydrophobicContact CG1-CZ 3.84Å; I35-F51 HydrophobicContact CG2-CB 3.95Å; I35-F51 HydrophobicContact CG2-CD1 4.06Å; I35-F51 HydrophobicContact CG2-CD2 4.26Å; I35-F51 HydrophobicContact CG2-CG 3.83Å; I35-A55 HydrophobicContact CG2-CB 3.78Å; I35-L68 HydrophobicContact CD1-CD2 3.74Å; I35-L68 HydrophobicContact CG2-CD1 4.07Å; I35-Y81 HydrophobicContact CD1-CD1 3.69Å; I35-Y81 HydrophobicContact CD1-CE1 3.69Å
36	G	97.6	Very high	93.6	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.4	178.9	-174.7	0	0	0	0	0	113	H22 W23 W34 K46	H22-G36 WeakPolarHBondContact CA-O 3.11Å; W23-G36 PolarHBondContact N-O 2.9Å; W34-G36 VanDerWaalsContact CE2-C 3.46Å; W34-G36 PolarHBondContact NE1-O 3.16Å; W34-G36 VanDerWaalsContact NE1-O 3.16Å; G36-K46 CarbonylContact C-O 3.52Å; G36-K46 WeakPolarHBondContact CA-O 3.42Å
37	R	97.1	Very high	93.7	Very high	25 Å²	25	67 Å²	67	9%	0.094	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	159.4	170.1	71	159.8	179.8	79.3	-9.7	111.4	Y20 M21 W34 E44 T45 K46	Y20-R37 VanDerWaalsContact CD1-NH1 3.26Å; M21-R37 CarbonylContact O-C 3.54Å; M21-R37 WeakPolarHBondContact O-CA 3.23Å; W34-R37 HydrophobicContact CZ2-CB 4.03Å; W34-R37 HydrophobicContact CZ2-CG 4.08Å; R37-E44 IonicContact CZ-OE2 2.69Å; R37-E44 VanDerWaalsContact CZ-OE2 3.3Å; R37-E44 IonicContact NH1-OE2 2.86Å; R37-E44 PolarHBondContact NH1-OE2 3.38Å; R37-E44 IonicContact NH2-OE1 3.77Å; R37-E44 IonicContact NH2-OE2 3.93Å; R37-E44 PolarHBondContact NH2-OE2 2.6Å; R37-T45 WeakPolarHBondContact O-CA 3.36Å; R37-K46 HydrophobicContact CG-CB 4.16Å; R37-K46 PolarHBondContact N-O 3.24Å; R37-K46 PolarHBondContact O-N 3.35Å
38	I	97.7	Very high	94	Very high	7 Å²	7	65.7 Å²	65.7	4%	0.036	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	142.5	162.7	-174.2	162.4	0	0	0	109.7	Y20 M21 P40 E44 T45 I57 A59	Y20-I38 WeakPolarHBondContact CA-O 3.18Å; M21-I38 HydrophobicContact CB-CG2 3.93Å; M21-I38 PolarHBondContact N-O 2.73Å; M21-I38 PolarHBondContact O-N 2.82Å; I38-P40 HydrophobicContact CG2-CG 4.4Å; I38-P40 WeakPolarHBondContact O-CD 3.42Å; I38-E44 CarbonylContact C-O 3.52Å; I38-E44 WeakPolarHBondContact CA-O 3.34Å; I38-T45 HydrophobicContact CB-CG2 3.97Å; I38-T45 HydrophobicContact CD1-CG2 3.93Å; I38-T45 HydrophobicContact CG1-CG2 3.83Å; I38-I57 HydrophobicContact CB-CG2 3.61Å; I38-I57 HydrophobicContact CG2-CG2 3.5Å; I38-I57 VanDerWaalsContact CG2-CG2 3.5Å; I38-A59 HydrophobicContact CD1-CB 4.02Å; I38-A59 HydrophobicContact CG2-CB 4.35Å
39	D	96.8	Very high	94.8	Very high	13 Å²	13	63.8 Å²	63.8	7%	0.07	34%	0.341	C	S	.	.			trans	-86.1	109.7	157.1	-163.3	-33.5	0	0	0	108.9	Y20 E41 D42 G43 E44	Y20-D39 HydrophobicContact CD1-CB 3.82Å; Y20-D39 HydrophobicContact CE1-CB 3.56Å; Y20-D39 WeakPolarHBondContact CE1-OD2 3.19Å; Y20-D39 PolarHBondContact OH-OD2 3.28Å; D39-E41 PolarHBondContact O-N 2.93Å; D39-E41 VanDerWaalsContact OD1-CB 3.3Å; D39-E41 WeakPolarHBondContact OD1-CB 3.36Å; D39-E41 PolarHBondContact OD1-N 3.11Å; D39-D42 VanDerWaalsContact CB-OD1 3.3Å; D39-D42 WeakPolarHBondContact CB-OD1 3.49Å; D39-G43 WeakPolarHBondContact O-CA 2.95Å; D39-G43 PolarHBondContact O-N 2.9Å; D39-E44 HydrophobicContact CB-CB 4.08Å; D39-E44 PolarHBondContact N-O 3.03Å
40	P	96.3	Very high	95.4	Very high	10 Å²	10	60.2 Å²	60.2	7%	0.065	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.8	-179.7	-20.2	37.2	0	0	0	113.4	I16 Y19 M21 I38 A59 T61	I16-P40 HydrophobicContact CG1-CB 4.34Å; I16-P40 HydrophobicContact CG1-CG 3.95Å; I16-P40 HydrophobicContact CG2-CB 4.21Å; I16-P40 VanDerWaalsContact O-CG 3.23Å; I16-P40 WeakPolarHBondContact O-CG 3.46Å; Y19-P40 WeakPolarHBondContact O-CD 3.49Å; M21-P40 HydrophobicContact CB-CG 4.48Å; M21-P40 HydrophobicContact CG-CG 3.84Å; I38-P40 HydrophobicContact CG2-CG 4.4Å; I38-P40 WeakPolarHBondContact O-CD 3.42Å; P40-A59 HydrophobicContact CB-CB 3.82Å; P40-A59 HydrophobicContact CG-CB 4.16Å; P40-T61 HydrophobicContact CB-CG2 4.08Å; P40-T61 VanDerWaalsContact O-CG2 3.26Å; P40-T61 WeakPolarHBondContact O-CG2 3.47Å
41	E	95.5	Very high	96	Very high	148 Å²	148	56 Å²	56	69%	0.692	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-49.7	177.1	-174	174.5	-158.1	0	0	111.6	D39	D39-E41 PolarHBondContact O-N 2.93Å; D39-E41 VanDerWaalsContact OD1-CB 3.3Å; D39-E41 WeakPolarHBondContact OD1-CB 3.36Å; D39-E41 PolarHBondContact OD1-N 3.11Å
42	D	95.8	Very high	96.4	Very high	114 Å²	114	60.2 Å²	60.2	61%	0.61	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	-7.5	-173.9	71	5.6	0	0	0	114.6	D39 E44	D39-D42 VanDerWaalsContact CB-OD1 3.3Å; D39-D42 WeakPolarHBondContact CB-OD1 3.49Å; D42-E44 VanDerWaalsContact OD1-CB 3.25Å; D42-E44 WeakPolarHBondContact OD1-CB 3.45Å; D42-E44 PolarHBondContact OD1-N 2.91Å
43	G	96.1	Very high	96.4	Very high	42 Å²	42	59.3 Å²	59.3	43%	0.433	32%	0.32	S	S	.	.			trans	83	8.8	179.9	0	0	0	0	0	114.7	D39 T45	D39-G43 WeakPolarHBondContact O-CA 2.95Å; D39-G43 PolarHBondContact O-N 2.9Å; G43-T45 PolarHBondContact O-N 3.28Å
44	E	97.2	Very high	96.4	Very high	74 Å²	74	59.6 Å²	59.6	35%	0.346	32%	0.321	S	S	.	.			trans	-60.5	125.1	178	-168.2	-148.2	-172.3	0	0	110.3	R37 I38 D39 D42 K46	R37-E44 IonicContact CZ-OE2 2.69Å; R37-E44 VanDerWaalsContact CZ-OE2 3.3Å; R37-E44 IonicContact NH1-OE2 2.86Å; R37-E44 PolarHBondContact NH1-OE2 3.38Å; R37-E44 IonicContact NH2-OE1 3.77Å; R37-E44 IonicContact NH2-OE2 3.93Å; R37-E44 PolarHBondContact NH2-OE2 2.6Å; I38-E44 CarbonylContact C-O 3.52Å; I38-E44 WeakPolarHBondContact CA-O 3.34Å; D39-E44 HydrophobicContact CB-CB 4.08Å; D39-E44 PolarHBondContact N-O 3.03Å; D42-E44 VanDerWaalsContact OD1-CB 3.25Å; D42-E44 WeakPolarHBondContact OD1-CB 3.45Å; D42-E44 PolarHBondContact OD1-N 2.91Å; E44-K46 WeakPolarHBondContact OE1-CE 3.5Å; E44-K46 IonicContact OE1-NZ 3.89Å
45	T	98.1	Very high	96.4	Very high	53 Å²	53	55.8 Å²	55.8	33%	0.325	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	143.7	177.8	52.4	0	0	0	0	112	R37 I38 G43 Y47 I57	R37-T45 WeakPolarHBondContact O-CA 3.36Å; I38-T45 HydrophobicContact CB-CG2 3.97Å; I38-T45 HydrophobicContact CD1-CG2 3.93Å; I38-T45 HydrophobicContact CG1-CG2 3.83Å; G43-T45 PolarHBondContact O-N 3.28Å; T45-Y47 WeakPolarHBondContact OG1-CE2 3.35Å; T45-I57 HydrophobicContact CG2-CB 4.46Å
46	K	97.8	Very high	96.5	Very high	97 Å²	97	59.1 Å²	59.1	42%	0.422	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142.3	169.6	-64.2	-172.3	-177.6	174.4	0	109.4	W34 G36 R37 E44	W34-K46 HydrophobicContact CH2-CB 4.03Å; G36-K46 CarbonylContact C-O 3.52Å; G36-K46 WeakPolarHBondContact CA-O 3.42Å; R37-K46 HydrophobicContact CG-CB 4.16Å; R37-K46 PolarHBondContact N-O 3.24Å; R37-K46 PolarHBondContact O-N 3.35Å; E44-K46 WeakPolarHBondContact OE1-CE 3.5Å; E44-K46 IonicContact OE1-NZ 3.89Å
47	Y	98.3	Very high	96.5	Very high	62 Å²	62	59.4 Å²	59.4	24%	0.243	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	148.5	-177.6	-59.8	-87.7	0	0	0	110	I35 T45 A55 I57	I35-Y47 WeakPolarHBondContact O-CA 3.13Å; T45-Y47 WeakPolarHBondContact OG1-CE2 3.35Å; Y47-A55 HydrophobicContact CD1-CB 4.2Å; Y47-A55 HydrophobicContact CE1-CB 4.2Å; Y47-A55 WeakPolarHBondContact CE1-O 2.99Å; Y47-I57 HydrophobicContact CD1-CD1 4.2Å; Y47-I57 HydrophobicContact CE1-CB 4.33Å; Y47-I57 HydrophobicContact CE1-CD1 3.79Å; Y47-I57 HydrophobicContact CE1-CG1 3.84Å; Y47-I57 PolarHBondContact OH-N 2.89Å; Y47-I57 VanDerWaalsContact OH-N 3.08Å
48	A	97.4	Very high	96.5	Very high	17 Å²	17	61.1 Å²	61.1	14%	0.14	34%	0.343	C	S	.	.			trans	-71.5	145.3	163.8	0	0	0	0	0	109.1	W34 I35 K50 F51 Q52	W34-A48 HydrophobicContact CE3-CB 3.79Å; W34-A48 HydrophobicContact CZ3-CB 4.1Å; W34-A48 VanDerWaalsContact O-CB 3.23Å; W34-A48 WeakPolarHBondContact O-CB 3.46Å; I35-A48 PolarHBondContact O-N 3.16Å; A48-K50 PolarHBondContact O-N 2.9Å; A48-F51 HydrophobicContact CB-CD2 4.08Å; A48-F51 PolarHBondContact O-N 2.84Å; A48-Q52 PolarHBondContact O-N 2.84Å
49	P	96.5	Very high	96.6	Very high	115 Å²	115	62.3 Å²	62.3	75%	0.747	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-52.5	-35.4	-175.6	-29.9	35.5	0	0	0	114.3	F51 Q52	P49-F51 PolarHBondContact O-N 2.94Å; P49-Q52 PolarHBondContact O-N 3.08Å
50	K	93.3	Very high	96.6	Very high	118 Å²	118	64.4 Å²	64.4	51%	0.513	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-63.3	-26.1	178.7	-174.9	176.9	177.8	-178.3	0	114.2	E33 A48	E33-K50 IonicContact OE1-NZ 2.73Å; E33-K50 IonicContact OE2-NZ 3.76Å; E33-K50 PolarHBondContact OE2-NZ 2.99Å; A48-K50 PolarHBondContact O-N 2.9Å
51	F	95.4	Very high	96.6	Very high	5 Å²	5	66.3 Å²	66.3	2%	0.022	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-106.4	-2.3	-175.9	-62.2	-81	0	0	0	113	K25 W34 I35 A48 P49 G53 K54 A55	K25-F51 HydrophobicContact CD-CE1 3.97Å; K25-F51 HydrophobicContact CD-CZ 3.77Å; K25-F51 HydrophobicContact CG-CZ 4.22Å; W34-F51 WeakPolarHBondContact O-CE2 3.45Å; I35-F51 HydrophobicContact CB-CD2 4.21Å; I35-F51 HydrophobicContact CB-CE2 4.43Å; I35-F51 HydrophobicContact CB-CG 4.28Å; I35-F51 HydrophobicContact CD1-CE1 4.49Å; I35-F51 HydrophobicContact CG1-CD1 4.23Å; I35-F51 HydrophobicContact CG1-CD2 4.19Å; I35-F51 HydrophobicContact CG1-CE1 3.99Å; I35-F51 HydrophobicContact CG1-CE2 3.96Å; I35-F51 HydrophobicContact CG1-CG 4.32Å; I35-F51 HydrophobicContact CG1-CZ 3.84Å; I35-F51 HydrophobicContact CG2-CB 3.95Å; I35-F51 HydrophobicContact CG2-CD1 4.06Å; I35-F51 HydrophobicContact CG2-CD2 4.26Å; I35-F51 HydrophobicContact CG2-CG 3.83Å; A48-F51 HydrophobicContact CB-CD2 4.08Å; A48-F51 PolarHBondContact O-N 2.84Å; P49-F51 PolarHBondContact O-N 2.94Å; F51-G53 PolarHBondContact O-N 3.26Å; F51-K54 PolarHBondContact O-N 3.43Å; F51-A55 HydrophobicContact CB-CB 4.05Å; F51-A55 PolarHBondContact O-N 3.28Å
52	Q	94.9	Very high	96.6	Very high	147 Å²	147	64.4 Å²	64.4	69%	0.687	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	126.9	177.2	-163.4	168	5.4	0	0	110.1	A48 P49 K54	A48-Q52 PolarHBondContact O-N 2.84Å; P49-Q52 PolarHBondContact O-N 3.08Å; Q52-K54 PolarHBondContact O-N 3.31Å
53	G	92.9	Very high	96.6	Very high	76 Å²	76	61.1 Å²	61.1	78%	0.784	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	-13.4	-175.2	0	0	0	0	0	115.3	F51	F51-G53 PolarHBondContact O-N 3.26Å
54	K	95.1	Very high	96.6	Very high	43 Å²	43	60.7 Å²	60.7	19%	0.187	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-37.2	174.6	-170.8	169.3	-168	170.6	0	112.9	F51 Q52 L70 S71 D77	F51-K54 PolarHBondContact O-N 3.43Å; Q52-K54 PolarHBondContact O-N 3.31Å; K54-L70 WeakPolarHBondContact O-CA 3.46Å; K54-S71 WeakPolarHBondContact CE-O 3.49Å; K54-S71 WeakPolarHBondContact CG-O 3.33Å; K54-S71 PolarHBondContact O-N 2.88Å; K54-S71 PolarHBondContact O-OG 3.04Å; K54-D77 WeakPolarHBondContact CE-OD1 3.27Å; K54-D77 VanDerWaalsContact CE-OD2 3.22Å; K54-D77 WeakPolarHBondContact CE-OD2 3.23Å; K54-D77 IonicContact NZ-OD1 3.51Å; K54-D77 PolarHBondContact NZ-OD1 2.82Å; K54-D77 IonicContact NZ-OD2 3.92Å; K54-D77 PolarHBondContact NZ-OD2 3.08Å
55	A	97.5	Very high	96.6	Very high	5 Å²	5	57.5 Å²	57.5	4%	0.041	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	138.1	179.4	0	0	0	0	0	111.1	I35 Y47 F51 L68 Q69 L70	I35-A55 HydrophobicContact CG2-CB 3.78Å; Y47-A55 HydrophobicContact CD1-CB 4.2Å; Y47-A55 HydrophobicContact CE1-CB 4.2Å; Y47-A55 WeakPolarHBondContact CE1-O 2.99Å; F51-A55 HydrophobicContact CB-CB 4.05Å; F51-A55 PolarHBondContact O-N 3.28Å; A55-L68 HydrophobicContact CB-CD1 3.85Å; A55-Q69 CarbonylContact C-O 3.58Å; A55-Q69 WeakPolarHBondContact CA-O 2.97Å; A55-L70 HydrophobicContact CB-CD2 4Å
56	T	98.3	Very high	96.6	Very high	71 Å²	71	55 Å²	55	44%	0.436	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120	166.3	-58.6	0	0	0	0	107.9	T58 Q69	T56-T58 HydrophobicContact CG2-CG2 4.24Å; T56-Q69 PolarHBondContact N-O 2.91Å; T56-Q69 PolarHBondContact O-N 2.8Å
57	I	98.4	Very high	96.6	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.026	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.8	177.7	-58.7	165.8	0	0	0	108.6	I38 T45 Y47 Y67 L68	I38-I57 HydrophobicContact CB-CG2 3.61Å; I38-I57 HydrophobicContact CG2-CG2 3.5Å; I38-I57 VanDerWaalsContact CG2-CG2 3.5Å; T45-I57 HydrophobicContact CG2-CB 4.46Å; Y47-I57 HydrophobicContact CD1-CD1 4.2Å; Y47-I57 HydrophobicContact CE1-CB 4.33Å; Y47-I57 HydrophobicContact CE1-CD1 3.79Å; Y47-I57 HydrophobicContact CE1-CG1 3.84Å; Y47-I57 PolarHBondContact OH-N 2.89Å; Y47-I57 VanDerWaalsContact OH-N 3.08Å; I57-Y67 WeakPolarHBondContact CA-O 3.45Å; I57-L68 HydrophobicContact CG1-CD1 3.83Å
58	T	98.3	Very high	96.6	Very high	61 Å²	61	49.6 Å²	49.6	37%	0.374	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	166	174.9	62.1	0	0	0	0	110.7	T56 A66 Y67	T56-T58 HydrophobicContact CG2-CG2 4.24Å; T58-A66 CarbonylContact O-C 3.58Å; T58-A66 WeakPolarHBondContact O-CA 3.33Å; T58-Y67 PolarHBondContact N-O 2.97Å; T58-Y67 PolarHBondContact O-N 3.44Å
59	A	97.8	Very high	96.7	Very high	32 Å²	32	52.9 Å²	52.9	26%	0.264	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	144.6	174.4	0	0	0	0	0	110.2	I38 P40 T65	I38-A59 HydrophobicContact CD1-CB 4.02Å; I38-A59 HydrophobicContact CG2-CB 4.35Å; P40-A59 HydrophobicContact CB-CB 3.82Å; P40-A59 HydrophobicContact CG-CB 4.16Å; A59-T65 WeakPolarHBondContact CA-O 3Å
60	D	97.3	Very high	96.7	Very high	57 Å²	57	47.5 Å²	47.5	31%	0.305	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	109.9	168.2	174.4	8.8	0	0	0	108.2	S62 S63 N64 T65 Y67	D60-S62 VanDerWaalsContact C-N 3.31Å; D60-S62 WeakPolarHBondContact OD1-CB 3.47Å; D60-S62 PolarHBondContact OD1-N 2.83Å; D60-S62 PolarHBondContact OD1-OG 3.01Å; D60-S62 PolarHBondContact OD2-OG 2.79Å; D60-S63 WeakPolarHBondContact CB-OG 3.21Å; D60-S63 PolarHBondContact OD1-N 2.91Å; D60-S63 WeakPolarHBondContact OD2-CB 3.31Å; D60-S63 PolarHBondContact OD2-OG 3.04Å; D60-N64 PolarHBondContact O-N 3.32Å; D60-N64 VanDerWaalsContact O-N 3.08Å; D60-T65 PolarHBondContact N-O 2.02Å; D60-T65 PolarHBondContact O-N 3.27Å; D60-Y67 HydrophobicContact CB-CE2 3.95Å
61	T	96.1	Very high	96.8	Very high	50 Å²	50	43.5 Å²	43.5	31%	0.307	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-17.5	-175.3	60.6	0	0	0	0	112.6	I16 K17 P40	I16-T61 HydrophobicContact CG2-CG2 4.18Å; K17-T61 HydrophobicContact CD-CG2 4.09Å; K17-T61 VanDerWaalsContact CE-CG2 3.45Å; K17-T61 WeakPolarHBondContact CE-OG1 3.01Å; K17-T61 HydrophobicContact CG-CG2 3.45Å; K17-T61 VanDerWaalsContact CG-CG2 3.45Å; P40-T61 HydrophobicContact CB-CG2 4.08Å; P40-T61 VanDerWaalsContact O-CG2 3.26Å; P40-T61 WeakPolarHBondContact O-CG2 3.47Å
62	S	95.8	Very high	96.7	Very high	108 Å²	108	47 Å²	47	76%	0.755	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-36.1	174.4	73.2	0	0	0	0	111.9	D60	D60-S62 VanDerWaalsContact C-N 3.31Å; D60-S62 WeakPolarHBondContact OD1-CB 3.47Å; D60-S62 PolarHBondContact OD1-N 2.83Å; D60-S62 PolarHBondContact OD1-OG 3.01Å; D60-S62 PolarHBondContact OD2-OG 2.79Å
63	S	96.9	Very high	96.7	Very high	45 Å²	45	40.4 Å²	40.4	32%	0.315	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	7.2	176.1	63.7	0	0	0	0	113.5	D60 T65	D60-S63 WeakPolarHBondContact CB-OG 3.21Å; D60-S63 PolarHBondContact OD1-N 2.91Å; D60-S63 WeakPolarHBondContact OD2-CB 3.31Å; D60-S63 PolarHBondContact OD2-OG 3.04Å; S63-T65 PolarHBondContact O-N 3.25Å; S63-T65 PolarHBondContact O-OG1 2.98Å
64	N	95.7	Very high	96.7	Very high	34 Å²	34	39.2 Å²	39.2	18%	0.182	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	37.5	-180	-147.7	42.6	0	0	0	113.2	T10 A11 F14 I16 D60	T10-N64 WeakPolarHBondContact CA-O 3.09Å; A11-N64 VanDerWaalsContact CB-ND2 3.35Å; A11-N64 WeakPolarHBondContact CB-ND2 3.43Å; A11-N64 PolarHBondContact N-O 2.82Å; A11-N64 PolarHBondContact O-ND2 3.22Å; F14-N64 PolarHBondContact O-ND2 3.48Å; I16-N64 WeakPolarHBondContact CB-OD1 3.34Å; I16-N64 VanDerWaalsContact CG2-OD1 3.27Å; I16-N64 WeakPolarHBondContact CG2-OD1 3.24Å; I16-N64 PolarHBondContact N-OD1 3.08Å; D60-N64 PolarHBondContact O-N 3.32Å; D60-N64 VanDerWaalsContact O-N 3.08Å
65	T	97.5	Very high	96.5	Very high	6 Å²	6	40.9 Å²	40.9	4%	0.037	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.1	-167.8	-61.2	0	0	0	0	112.2	C9 T10 A59 D60 S63 Y67	C9-T65 CarbonylContact O-C 3.56Å; C9-T65 WeakPolarHBondContact O-CA 3.39Å; T10-T65 WeakPolarHBondContact CB-OG1 3.47Å; T10-T65 PolarHBondContact OG1-OG1 3.27Å; A59-T65 WeakPolarHBondContact CA-O 3Å; D60-T65 PolarHBondContact N-O 2.02Å; D60-T65 PolarHBondContact O-N 3.27Å; S63-T65 PolarHBondContact O-N 3.25Å; S63-T65 PolarHBondContact O-OG1 2.98Å; T65-Y67 HydrophobicContact CG2-CD1 4.21Å; T65-Y67 HydrophobicContact CG2-CD2 4.47Å; T65-Y67 HydrophobicContact CG2-CE1 3.61Å; T65-Y67 HydrophobicContact CG2-CE2 3.87Å
66	A	97.6	Very high	96.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	151.2	168.4	0	0	0	0	0	110.6	S8 C9 I16 M21 T58	S8-A66 CarbonylContact C-O 3.55Å; S8-A66 WeakPolarHBondContact CA-O 3.29Å; C9-A66 PolarHBondContact N-O 3.39Å; C9-A66 PolarHBondContact O-N 3.31Å; I16-A66 HydrophobicContact CD1-CB 4Å; M21-A66 HydrophobicContact CB-CB 3.98Å; M21-A66 HydrophobicContact CE-CB 4.49Å; M21-A66 HydrophobicContact CG-CB 4.17Å; T58-A66 CarbonylContact O-C 3.58Å; T58-A66 WeakPolarHBondContact O-CA 3.33Å
67	Y	98.4	Very high	95.9	Very high	47 Å²	47	43.5 Å²	43.5	18%	0.184	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.8	-179.3	-56.5	-83.8	0	0	0	111.4	K6 L7 I57 T58 D60 T65	K6-Y67 HydrophobicContact CD-CD1 4.39Å; K6-Y67 HydrophobicContact CG-CD1 4.4Å; L7-Y67 CarbonylContact O-C 3.51Å; L7-Y67 WeakPolarHBondContact O-CA 3.3Å; I57-Y67 WeakPolarHBondContact CA-O 3.45Å; T58-Y67 PolarHBondContact N-O 2.97Å; T58-Y67 PolarHBondContact O-N 3.44Å; D60-Y67 HydrophobicContact CB-CE2 3.95Å; T65-Y67 HydrophobicContact CG2-CD1 4.21Å; T65-Y67 HydrophobicContact CG2-CD2 4.47Å; T65-Y67 HydrophobicContact CG2-CE1 3.61Å; T65-Y67 HydrophobicContact CG2-CE2 3.87Å
68	L	98.6	Very high	95.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	114.7	169.6	171.1	65.8	0	0	0	108.5	K6 L7 W23 I35 A55 I57 L70 Y81	K6-L68 CarbonylContact C-O 3.56Å; K6-L68 WeakPolarHBondContact CA-O 3.13Å; L7-L68 HydrophobicContact CB-CB 4.45Å; L7-L68 HydrophobicContact CD1-CD2 4.36Å; L7-L68 PolarHBondContact N-O 2.91Å; L7-L68 PolarHBondContact O-N 3.01Å; W23-L68 HydrophobicContact CB-CD2 4.14Å; W23-L68 HydrophobicContact CD2-CB 3.56Å; W23-L68 HydrophobicContact CD2-CD2 3.93Å; W23-L68 HydrophobicContact CD2-CG 4.32Å; W23-L68 HydrophobicContact CE3-CB 3.83Å; W23-L68 HydrophobicContact CE3-CD2 3.75Å; W23-L68 HydrophobicContact CE3-CG 4.44Å; W23-L68 HydrophobicContact CG-CB 4.04Å; W23-L68 HydrophobicContact CG-CD2 4.12Å; W23-L68 HydrophobicContact CH2-CB 4.1Å; W23-L68 HydrophobicContact CZ2-CB 3.86Å; W23-L68 HydrophobicContact CZ3-CB 4.08Å; W23-L68 HydrophobicContact CZ3-CD2 4.43Å; I35-L68 HydrophobicContact CD1-CD2 3.74Å; I35-L68 HydrophobicContact CG2-CD1 4.07Å; A55-L68 HydrophobicContact CB-CD1 3.85Å; I57-L68 HydrophobicContact CG1-CD1 3.83Å; L68-L70 HydrophobicContact CD1-CD2 4.1Å; L68-L70 HydrophobicContact CD1-CG 4.45Å; L68-L70 HydrophobicContact CD2-CD1 4.35Å; L68-L70 HydrophobicContact CD2-CD2 4.32Å; L68-L70 HydrophobicContact CD2-CG 4.28Å; L68-L70 HydrophobicContact CG-CD2 4.26Å; L68-L70 HydrophobicContact CG-CG 4.13Å; L68-Y81 HydrophobicContact CD2-CD1 4.03Å
69	Q	98.1	Very high	95.6	Very high	86 Å²	86	43.2 Å²	43.2	40%	0.402	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126	169.9	-175.1	170.4	3.3	0	0	109.6	V5 A55 T56	V5-Q69 CarbonylContact O-C 3.57Å; V5-Q69 VanDerWaalsContact O-CA 3.29Å; V5-Q69 WeakPolarHBondContact O-CA 3.39Å; A55-Q69 CarbonylContact C-O 3.58Å; A55-Q69 WeakPolarHBondContact CA-O 2.97Å; T56-Q69 PolarHBondContact N-O 2.91Å; T56-Q69 PolarHBondContact O-N 2.8Å
70	L	97.3	Very high	95.5	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.4	173.9	-63.3	168.5	0	0	0	108.6	S4 V5 K54 A55 L68 L73 Y81 L98	S4-L70 CarbonylContact C-O 3.53Å; S4-L70 WeakPolarHBondContact CA-O 3.02Å; S4-L70 WeakPolarHBondContact CB-O 3.34Å; V5-L70 HydrophobicContact CG1-CB 4.16Å; V5-L70 HydrophobicContact CG1-CD1 4.4Å; V5-L70 PolarHBondContact N-O 2.97Å; V5-L70 PolarHBondContact O-N 3.36Å; K54-L70 WeakPolarHBondContact O-CA 3.46Å; A55-L70 HydrophobicContact CB-CD2 4Å; L68-L70 HydrophobicContact CD1-CD2 4.1Å; L68-L70 HydrophobicContact CD1-CG 4.45Å; L68-L70 HydrophobicContact CD2-CD1 4.35Å; L68-L70 HydrophobicContact CD2-CD2 4.32Å; L68-L70 HydrophobicContact CD2-CG 4.28Å; L68-L70 HydrophobicContact CG-CD2 4.26Å; L68-L70 HydrophobicContact CG-CG 4.13Å; L70-L73 HydrophobicContact CB-CD2 3.76Å; L70-L73 HydrophobicContact CD1-CD2 4.36Å; L70-Y81 HydrophobicContact CD1-CD1 4.17Å; L70-Y81 HydrophobicContact CD1-CE1 3.43Å; L70-Y81 VanDerWaalsContact CD1-CE1 3.43Å; L70-L98 HydrophobicContact CD1-CD2 4.26Å
71	S	95.4	Very high	95.5	Very high	34 Å²	34	41 Å²	41	24%	0.238	24%	0.244	C	C	.	.			trans	-105.8	164.8	177.3	64.3	0	0	0	0	111.5	S4 K54 L73	S4-S71 WeakPolarHBondContact OG-CA 3.3Å; K54-S71 WeakPolarHBondContact CE-O 3.49Å; K54-S71 WeakPolarHBondContact CG-O 3.33Å; K54-S71 PolarHBondContact O-N 2.88Å; K54-S71 PolarHBondContact O-OG 3.04Å; S71-L73 VanDerWaalsContact C-N 3.29Å; S71-L73 PolarHBondContact O-N 3.01Å
72	S	93.4	Very high	95.5	Very high	78 Å²	78	40.8 Å²	40.8	55%	0.545	24%	0.238	S	C	.	.	S	Bend	trans	52	46.7	173.7	-59.8	0	0	0	0	113.1	A3	A3-S72 PolarHBondContact O-N 2.9Å
73	L	93.9	Very high	95.5	Very high	9 Å²	9	36.1 Å²	36.1	5%	0.047	21%	0.205	C	C	.	.			trans	-62.2	139.9	-175.4	-69.3	173.5	0	0	0	112.1	P1 G2 A3 V5 L70 S71 D77 L98 V100	P1-L73 WeakPolarHBondContact CA-O 3.43Å; G2-L73 PolarHBondContact N-O 2.88Å; A3-L73 WeakPolarHBondContact O-CB 3.4Å; A3-L73 WeakPolarHBondContact O-CG 3.35Å; A3-L73 PolarHBondContact O-N 3.45Å; A3-L73 VanDerWaalsContact O-N 3.11Å; V5-L73 HydrophobicContact CB-CD1 4.05Å; V5-L73 HydrophobicContact CG1-CD1 3.88Å; L70-L73 HydrophobicContact CB-CD2 3.76Å; L70-L73 HydrophobicContact CD1-CD2 4.36Å; S71-L73 VanDerWaalsContact C-N 3.29Å; S71-L73 PolarHBondContact O-N 3.01Å; L73-D77 VanDerWaalsContact CA-OD2 3.31Å; L73-D77 WeakPolarHBondContact CA-OD2 3.18Å; L73-D77 HydrophobicContact CD2-CB 3.7Å; L73-L98 HydrophobicContact CD1-CD2 4.37Å; L73-L98 HydrophobicContact CD2-CD2 4.14Å; L73-V100 HydrophobicContact CB-CG1 4.15Å; L73-V100 HydrophobicContact CB-CG2 4.17Å; L73-V100 HydrophobicContact CD1-CG2 4.24Å
74	T	92.9	Very high	95.3	Very high	52 Å²	52	35 Å²	35	32%	0.319	19%	0.194	S	C	.	.			trans	-126.3	168.8	173.6	68.6	0	0	0	0	110.1	E76 D77 V100	T74-E76 PolarHBondContact O-N 2.83Å; T74-E76 VanDerWaalsContact O-N 3.11Å; T74-D77 PolarHBondContact N-OD2 2.87Å; T74-D77 WeakPolarHBondContact O-CB 3.49Å; T74-D77 PolarHBondContact O-N 3.48Å; T74-V100 WeakPolarHBondContact O-CB 3.4Å; T74-V100 WeakPolarHBondContact O-CG1 3.5Å
75	S	91.4	Very high	95	Very high	78 Å²	78	33.5 Å²	33.5	55%	0.545	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-56	-28.4	177.3	51.1	0	0	0	0	113	D77 T78	S75-D77 PolarHBondContact O-N 3.41Å; S75-T78 VanDerWaalsContact O-CB 3.26Å; S75-T78 WeakPolarHBondContact O-CB 3.48Å; S75-T78 PolarHBondContact O-N 3.49Å; S75-T78 VanDerWaalsContact O-N 3.14Å; S75-T78 PolarHBondContact O-OG1 2.8Å
76	E	89.6	Confident	94.2	Very high	126 Å²	126	36 Å²	36	59%	0.589	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-66.1	-18.8	175.5	-64.2	-172.7	-168.3	0	0	114.1	R27 T74 T78	R27-E76 VanDerWaalsContact CZ-O 3.26Å; R27-E76 PolarHBondContact NE-O 2.95Å; R27-E76 VanDerWaalsContact NE-O 3.08Å; R27-E76 PolarHBondContact NH2-O 3.11Å; T74-E76 PolarHBondContact O-N 2.83Å; T74-E76 VanDerWaalsContact O-N 3.11Å; E76-T78 PolarHBondContact O-N 2.82Å
77	D	92.7	Very high	92.6	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.027	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-81.2	-3.7	176	-58.5	-51.6	0	0	0	112.7	K54 L73 T74 S75 A79 Y81 V100	K54-D77 WeakPolarHBondContact CE-OD1 3.27Å; K54-D77 VanDerWaalsContact CE-OD2 3.22Å; K54-D77 WeakPolarHBondContact CE-OD2 3.23Å; K54-D77 IonicContact NZ-OD1 3.51Å; K54-D77 PolarHBondContact NZ-OD1 2.82Å; K54-D77 IonicContact NZ-OD2 3.92Å; K54-D77 PolarHBondContact NZ-OD2 3.08Å; L73-D77 VanDerWaalsContact CA-OD2 3.31Å; L73-D77 WeakPolarHBondContact CA-OD2 3.18Å; L73-D77 HydrophobicContact CD2-CB 3.7Å; T74-D77 PolarHBondContact N-OD2 2.87Å; T74-D77 WeakPolarHBondContact O-CB 3.49Å; T74-D77 PolarHBondContact O-N 3.48Å; S75-D77 PolarHBondContact O-N 3.41Å; D77-A79 PolarHBondContact O-N 2.84Å; D77-A79 VanDerWaalsContact O-N 3.14Å; D77-Y81 WeakPolarHBondContact O-CE2 3.46Å; D77-Y81 PolarHBondContact O-OH 2.86Å; D77-V100 HydrophobicContact CB-CG2 4.38Å
78	T	94.3	Very high	90.6	Very high	52 Å²	52	48 Å²	48	32%	0.319	25%	0.247	S	C	.	.			trans	-62.6	113.8	172.2	-61.3	0	0	0	0	109.8	S75 E76 L98 T99 V100	S75-T78 VanDerWaalsContact O-CB 3.26Å; S75-T78 WeakPolarHBondContact O-CB 3.48Å; S75-T78 PolarHBondContact O-N 3.49Å; S75-T78 VanDerWaalsContact O-N 3.14Å; S75-T78 PolarHBondContact O-OG1 2.8Å; E76-T78 PolarHBondContact O-N 2.82Å; T78-L98 VanDerWaalsContact CA-O 3.26Å; T78-L98 WeakPolarHBondContact CA-O 3.1Å; T78-T99 HydrophobicContact CG2-CG2 4.44Å; T78-V100 PolarHBondContact OG1-N 3.36Å; T78-V100 PolarHBondContact OG1-O 2.63Å
79	A	95.9	Very high	88.9	Confident	7 Å²	7	53.2 Å²	53.2	6%	0.058	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169	168.8	-174	0	0	0	0	0	110.5	K25 Q26 R27 D77 Y81 L98	K25-A79 HydrophobicContact CB-CB 4.06Å; K25-A79 HydrophobicContact CD-CB 4.4Å; Q26-A79 WeakPolarHBondContact O-CA 3.31Å; Q26-A79 VanDerWaalsContact O-CB 3.3Å; Q26-A79 WeakPolarHBondContact O-CB 3.36Å; R27-A79 HydrophobicContact CG-CB 4.07Å; D77-A79 PolarHBondContact O-N 2.84Å; D77-A79 VanDerWaalsContact O-N 3.14Å; A79-Y81 HydrophobicContact CB-CD2 4.32Å; A79-Y81 HydrophobicContact CB-CE2 3.75Å; A79-Y81 WeakPolarHBondContact O-CD2 3.46Å; A79-L98 PolarHBondContact N-O 2.93Å; A79-L98 VanDerWaalsContact N-O 3.14Å; A79-L98 PolarHBondContact O-N 3.47Å
80	V	96.8	Very high	87.4	Confident	38 Å²	38	54.7 Å²	54.7	23%	0.23	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	128.7	162.3	-173	0	0	0	0	108.3	K25 Q26 Y82 T96	K25-V80 CarbonylContact C-O 3.54Å; K25-V80 WeakPolarHBondContact CA-O 3.22Å; Q26-V80 PolarHBondContact N-O 3.11Å; Q26-V80 PolarHBondContact O-N 2.83Å; V80-Y82 HydrophobicContact CB-CE2 3.83Å; V80-Y82 HydrophobicContact CG1-CD2 4.21Å; V80-Y82 HydrophobicContact CG1-CE1 3.91Å; V80-Y82 HydrophobicContact CG1-CE2 3.51Å; V80-Y82 WeakPolarHBondContact CG1-OH 3.3Å; V80-T96 CarbonylContact C-O 3.38Å; V80-T96 WeakPolarHBondContact CA-O 3.34Å
81	Y	97.4	Very high	86.4	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.016	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.8	179.8	-70.5	-99.4	0	0	0	109.8	L7 V24 K25 I35 L68 L70 D77 A79 G95 T96 L98	L7-Y81 HydrophobicContact CD1-CD1 4.08Å; L7-Y81 HydrophobicContact CD1-CD2 4.24Å; L7-Y81 HydrophobicContact CD1-CG 3.69Å; V24-Y81 WeakPolarHBondContact O-CA 3.44Å; K25-Y81 HydrophobicContact CB-CD1 3.82Å; K25-Y81 HydrophobicContact CB-CE1 3.66Å; K25-Y81 HydrophobicContact CB-CG 4.35Å; K25-Y81 HydrophobicContact CD-CE1 4.17Å; I35-Y81 HydrophobicContact CD1-CD1 3.69Å; I35-Y81 HydrophobicContact CD1-CE1 3.69Å; L68-Y81 HydrophobicContact CD2-CD1 4.03Å; L70-Y81 HydrophobicContact CD1-CD1 4.17Å; L70-Y81 HydrophobicContact CD1-CE1 3.43Å; L70-Y81 VanDerWaalsContact CD1-CE1 3.43Å; D77-Y81 WeakPolarHBondContact O-CE2 3.46Å; D77-Y81 PolarHBondContact O-OH 2.86Å; A79-Y81 HydrophobicContact CB-CD2 4.32Å; A79-Y81 HydrophobicContact CB-CE2 3.75Å; A79-Y81 WeakPolarHBondContact O-CD2 3.46Å; Y81-G95 CarbonylContact O-C 3.6Å; Y81-G95 VanDerWaalsContact O-CA 3.23Å; Y81-G95 WeakPolarHBondContact O-CA 3.39Å; Y81-T96 PolarHBondContact N-O 2.63Å; Y81-T96 PolarHBondContact O-N 3.31Å; Y81-L98 HydrophobicContact CD2-CB 3.86Å; Y81-L98 HydrophobicContact CD2-CD2 4.45Å; Y81-L98 HydrophobicContact CE2-CB 3.69Å; Y81-L98 HydrophobicContact CE2-CD2 3.75Å; Y81-L98 HydrophobicContact CE2-CG 4.33Å
82	Y	96.2	Very high	86.1	Confident	46 Å²	46	63.8 Å²	63.8	18%	0.18	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	151.4	179	-54.1	-94.8	0	0	0	110.5	W23 V24 Q26 L32 V80 W92	W23-Y82 WeakPolarHBondContact CA-O 3.43Å; V24-Y82 HydrophobicContact CG2-CD2 4.24Å; V24-Y82 HydrophobicContact CG2-CG 4.45Å; V24-Y82 PolarHBondContact N-O 2.88Å; V24-Y82 PolarHBondContact O-N 2.96Å; Q26-Y82 HydrophobicContact CB-CD2 4.44Å; Q26-Y82 HydrophobicContact CB-CE2 3.76Å; Q26-Y82 PolarHBondContact OE1-OH 3.14Å; L32-Y82 HydrophobicContact CD2-CD2 4.38Å; L32-Y82 HydrophobicContact CD2-CE2 4.46Å; V80-Y82 HydrophobicContact CB-CE2 3.83Å; V80-Y82 HydrophobicContact CG1-CD2 4.21Å; V80-Y82 HydrophobicContact CG1-CE1 3.91Å; V80-Y82 HydrophobicContact CG1-CE2 3.51Å; V80-Y82 WeakPolarHBondContact CG1-OH 3.3Å; Y82-W92 HydrophobicContact CG-CE3 4.4Å; Y82-W92 HydrophobicContact CG-CZ3 4.44Å
83	C	95.1	Very high	86	Confident	11 Å²	11	61.3 Å²	61.3	7%	0.074	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	151.7	164.9	59.4	0	0	0	0	109.8	C9 H22 W23 G93	C9-C83 HydrophobicContact CB-CB 3.52Å; C9-C83 WeakPolarHBondContact CB-SG 3.14Å; C9-C83 WeakPolarHBondContact SG-CB 3.45Å; C9-C83 CovalentContact SG-SG 2.02Å; C9-C83 PolarHBondContact SG-SG 3.16Å; H22-C83 CarbonylContact O-C 3.6Å; H22-C83 WeakPolarHBondContact O-CA 3.26Å; W23-C83 HydrophobicContact CD2-CB 4.2Å; W23-C83 HydrophobicContact CE3-CB 4.11Å; W23-C83 HydrophobicContact CH2-CB 4.18Å; W23-C83 HydrophobicContact CZ2-CB 4.25Å; W23-C83 HydrophobicContact CZ3-CB 4.1Å; C83-G93 PolarHBondContact O-N 3.18Å
84	Y	92.7	Very high	85.9	Confident	21 Å²	21	69.7 Å²	69.7	8%	0.082	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	153.7	169.3	66.8	-93.5	0	0	0	112.2	H22 V24 F89 Y91 W92	H22-Y84 HydrophobicContact CB-CD1 3.88Å; H22-Y84 HydrophobicContact CB-CD2 3.94Å; H22-Y84 HydrophobicContact CB-CE1 3.45Å; H22-Y84 VanDerWaalsContact CB-CE1 3.45Å; H22-Y84 HydrophobicContact CB-CE2 3.5Å; H22-Y84 VanDerWaalsContact CB-CE2 3.5Å; H22-Y84 HydrophobicContact CB-CG 4.11Å; H22-Y84 AromaticContact CD2-CE2 3.69Å; H22-Y84 AromaticContact CG-CE2 3.5Å; H22-Y84 VanDerWaalsContact CG-CE2 3.5Å; H22-Y84 AromaticContact CG-CZ 3.51Å; H22-Y84 PolarHBondContact N-O 2.78Å; H22-Y84 AromaticContact ND1-CZ 3.85Å; H22-Y84 PolarHBondContact ND1-OH 2.84Å; H22-Y84 PolarHBondContact O-N 3.15Å; V24-Y84 HydrophobicContact CG1-CE1 3.76Å; Y84-F89 HydrophobicContact CD2-CD1 4.08Å; Y84-F89 AromaticContact CE2-CD1 3.58Å; Y84-F89 HydrophobicContact CE2-CD1 3.58Å; Y84-F89 AromaticContact CE2-CE1 3.71Å; Y84-F89 HydrophobicContact CE2-CE1 3.71Å; Y84-Y91 WeakPolarHBondContact CA-O 3.25Å; Y84-Y91 WeakPolarHBondContact CB-O 3.4Å; Y84-W92 HydrophobicContact CD1-CD2 4.29Å; Y84-W92 HydrophobicContact CD1-CE3 4.16Å; Y84-W92 AromaticContact CD1-CH2 3.53Å; Y84-W92 HydrophobicContact CD1-CH2 3.53Å; Y84-W92 AromaticContact CD1-CZ2 3.68Å; Y84-W92 HydrophobicContact CD1-CZ2 3.68Å; Y84-W92 AromaticContact CD1-CZ3 3.8Å; Y84-W92 HydrophobicContact CD1-CZ3 3.8Å; Y84-W92 AromaticContact CE1-CH2 3.75Å; Y84-W92 HydrophobicContact CE1-CH2 3.75Å; Y84-W92 AromaticContact CE1-CZ2 3.98Å; Y84-W92 HydrophobicContact CE1-CZ2 3.98Å; Y84-W92 HydrophobicContact CE1-CZ3 4.37Å; Y84-W92 HydrophobicContact CG-CD2 4.33Å; Y84-W92 HydrophobicContact CG-CH2 4.32Å; Y84-W92 HydrophobicContact CG-CZ2 4.04Å
85	G	89.9	Confident	85.9	Confident	2 Å²	2	68.5 Å²	68.5	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	145.1	174.1	0	0	0	0	0	112.1	Y87 Y91	G85-Y87 PolarHBondContact O-N 2.79Å; G85-Y91 PolarHBondContact N-O 3.3Å; G85-Y91 VanDerWaalsContact N-O 3.16Å
86	N	80.4	Confident	86.1	Confident	60 Å²	60	68.4 Å²	68.4	32%	0.321	33%	0.331	S	S	.	.			trans	-94.3	32.4	-169.1	-154.6	-19.8	0	0	0	116	Y20 H22 Y88	Y20-N86 PolarHBondContact O-N 2.8Å; H22-N86 PolarHBondContact NE2-ND2 2.93Å; N86-Y88 PolarHBondContact O-N 3.36Å
87	Y	63.6	Low	86.4	Confident	130 Å²	130	67.2 Å²	67.2	51%	0.51	33%	0.332	S	S	.	.	S	Bend	trans	-81.7	98.4	155.8	-135.1	-120.2	0	0	0	107.2	Y19 G85 F89 D90	Y19-Y87 HydrophobicContact CD1-CD2 4.14Å; Y19-Y87 HydrophobicContact CD1-CG 4.36Å; Y19-Y87 AromaticContact CE1-CD2 3.44Å; Y19-Y87 HydrophobicContact CE1-CD2 3.44Å; Y19-Y87 VanDerWaalsContact CE1-CD2 3.44Å; Y19-Y87 HydrophobicContact CE1-CE2 4.35Å; Y19-Y87 AromaticContact CE1-CG 3.57Å; Y19-Y87 HydrophobicContact CE1-CG 3.57Å; G85-Y87 PolarHBondContact O-N 2.79Å; Y87-F89 PolarHBondContact O-N 2.77Å; Y87-D90 PolarHBondContact O-N 2.82Å
88	Y	57.9	Low	86.5	Confident	167 Å²	167	68 Å²	68	66%	0.655	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	17.6	175.6	-60.4	-80.6	0	0	0	117.1	N86 D90	N86-Y88 PolarHBondContact O-N 3.36Å; Y88-D90 PolarHBondContact O-N 2.96Å
89	F	61.3	Low	86.5	Confident	111 Å²	111	70.6 Å²	70.6	49%	0.487	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	15.9	-173.6	-59	-87.6	0	0	0	115.2	Y84 Y87 Y91 W92	Y84-F89 HydrophobicContact CD2-CD1 4.08Å; Y84-F89 AromaticContact CE2-CD1 3.58Å; Y84-F89 HydrophobicContact CE2-CD1 3.58Å; Y84-F89 AromaticContact CE2-CE1 3.71Å; Y84-F89 HydrophobicContact CE2-CE1 3.71Å; Y87-F89 PolarHBondContact O-N 2.77Å; F89-Y91 PolarHBondContact O-N 2.85Å; F89-W92 VanDerWaalsContact O-CD1 3.22Å; F89-W92 PolarHBondContact O-NE1 2.79Å
90	D	66.1	Low	86.2	Confident	117 Å²	117	71.5 Å²	71.5	63%	0.626	36%	0.357	S	S	*	.			trans	-78.3	-17.9	-169.8	-71.3	-30.2	0	0	0	114	Y87 Y88	Y87-D90 PolarHBondContact O-N 2.82Å; Y88-D90 PolarHBondContact O-N 2.96Å
91	Y	77.4	Confident	85.7	Confident	121 Å²	121	74.8 Å²	74.8	48%	0.475	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	97.3	-173.2	-59.4	-75.3	0	0	0	112.5	F14 Y84 G85 F89	F14-Y91 HydrophobicContact CE1-CG 4.22Å; Y84-Y91 WeakPolarHBondContact CA-O 3.25Å; Y84-Y91 WeakPolarHBondContact CB-O 3.4Å; G85-Y91 PolarHBondContact N-O 3.3Å; G85-Y91 VanDerWaalsContact N-O 3.16Å; F89-Y91 PolarHBondContact O-N 2.85Å
92	W	89.7	Confident	84.6	Confident	105 Å²	105	82.4 Å²	82.4	40%	0.398	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	137	173.3	-73.4	73.6	0	0	0	111.8	V24 L32 Y82 Y84 F89	V24-W92 HydrophobicContact CG2-CH2 4.05Å; V24-W92 HydrophobicContact CG2-CZ3 3.63Å; L32-W92 HydrophobicContact CD1-CH2 3.77Å; L32-W92 HydrophobicContact CD1-CZ3 4.22Å; Y82-W92 HydrophobicContact CG-CE3 4.4Å; Y82-W92 HydrophobicContact CG-CZ3 4.44Å; Y84-W92 HydrophobicContact CD1-CD2 4.29Å; Y84-W92 HydrophobicContact CD1-CE3 4.16Å; Y84-W92 AromaticContact CD1-CH2 3.53Å; Y84-W92 HydrophobicContact CD1-CH2 3.53Å; Y84-W92 AromaticContact CD1-CZ2 3.68Å; Y84-W92 HydrophobicContact CD1-CZ2 3.68Å; Y84-W92 AromaticContact CD1-CZ3 3.8Å; Y84-W92 HydrophobicContact CD1-CZ3 3.8Å; Y84-W92 AromaticContact CE1-CH2 3.75Å; Y84-W92 HydrophobicContact CE1-CH2 3.75Å; Y84-W92 AromaticContact CE1-CZ2 3.98Å; Y84-W92 HydrophobicContact CE1-CZ2 3.98Å; Y84-W92 HydrophobicContact CE1-CZ3 4.37Å; Y84-W92 HydrophobicContact CG-CD2 4.33Å; Y84-W92 HydrophobicContact CG-CH2 4.32Å; Y84-W92 HydrophobicContact CG-CZ2 4.04Å; F89-W92 VanDerWaalsContact O-CD1 3.22Å; F89-W92 PolarHBondContact O-NE1 2.79Å
93	G	89.7	Confident	84.1	Confident	26 Å²	26	84.2 Å²	84.2	27%	0.268	45%	0.448	S	S	.	.			trans	-67	156.2	164.1	0	0	0	0	0	111.2	C83 G95	C83-G93 PolarHBondContact O-N 3.18Å; G93-G95 PolarHBondContact O-N 3.08Å; G93-G95 VanDerWaalsContact O-N 3.08Å
94	Q	92.1	Very high	83.5	Confident	184 Å²	184	88.1 Å²	88.1	86%	0.86	47%	0.468	S	S	*	.			trans	-64.5	-13.6	-179.7	-65	-62.8	-52.6	0	0	114.1
95	G	93.8	Very high	83	Confident	27 Å²	27	91.8 Å²	91.8	28%	0.278	49%	0.489	S	S	.	.			trans	84.4	151.1	-174.7	0	0	0	0	0	112.6	Y81 G93	Y81-G95 CarbonylContact O-C 3.6Å; Y81-G95 VanDerWaalsContact O-CA 3.23Å; Y81-G95 WeakPolarHBondContact O-CA 3.39Å; G93-G95 PolarHBondContact O-N 3.08Å; G93-G95 VanDerWaalsContact O-N 3.08Å
96	T	96.1	Very high	82.6	Confident	77 Å²	77	97.1 Å²	97.1	47%	0.472	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130	173.6	-103.5	0	0	0	0	109.5	L7 V80 Y81	L7-T96 HydrophobicContact CD2-CG2 4Å; V80-T96 CarbonylContact C-O 3.38Å; V80-T96 WeakPolarHBondContact CA-O 3.34Å; Y81-T96 PolarHBondContact N-O 2.63Å; Y81-T96 PolarHBondContact O-N 3.31Å
97	T	96.1	Very high	82.7	Confident	100 Å²	100	99.4 Å²	99.4	61%	0.613	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	122.2	174.2	-55.3	0	0	0	0	109.8
98	L	94.2	Very high	84	Confident	22 Å²	22	97.3 Å²	97.3	12%	0.115	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.2	167.3	176.7	67.2	0	0	0	108.3	V5 L70 L73 T78 A79 Y81 V100	V5-L98 HydrophobicContact CB-CD1 4.43Å; V5-L98 HydrophobicContact CG1-CD1 4.13Å; V5-L98 HydrophobicContact CG1-CD2 3.85Å; V5-L98 HydrophobicContact CG2-CD1 4.29Å; L70-L98 HydrophobicContact CD1-CD2 4.26Å; L73-L98 HydrophobicContact CD1-CD2 4.37Å; L73-L98 HydrophobicContact CD2-CD2 4.14Å; T78-L98 VanDerWaalsContact CA-O 3.26Å; T78-L98 WeakPolarHBondContact CA-O 3.1Å; A79-L98 PolarHBondContact N-O 2.93Å; A79-L98 VanDerWaalsContact N-O 3.14Å; A79-L98 PolarHBondContact O-N 3.47Å; Y81-L98 HydrophobicContact CD2-CB 3.86Å; Y81-L98 HydrophobicContact CD2-CD2 4.45Å; Y81-L98 HydrophobicContact CE2-CB 3.69Å; Y81-L98 HydrophobicContact CE2-CD2 3.75Å; Y81-L98 HydrophobicContact CE2-CG 4.33Å; L98-V100 HydrophobicContact CD2-CG2 4.34Å; L98-V100 HydrophobicContact CG-CG2 4.13Å
99	T	93.5	Very high	85.8	Confident	106 Å²	106	92.4 Å²	92.4	65%	0.65	52%	0.521	S	S	*	.			trans	-115.6	124.7	175	-55.9	0	0	0	0	109.3	T78	T78-T99 HydrophobicContact CG2-CG2 4.44Å
100	V	90.9	Very high	87.7	Confident	26 Å²	26	90.9 Å²	90.9	16%	0.158	52%	0.524	C	S	.	.			trans	-117	109.5	178.3	-173.2	0	0	0	0	108.6	L73 T74 D77 T78 L98	L73-V100 HydrophobicContact CB-CG1 4.15Å; L73-V100 HydrophobicContact CB-CG2 4.17Å; L73-V100 HydrophobicContact CD1-CG2 4.24Å; T74-V100 WeakPolarHBondContact O-CB 3.4Å; T74-V100 WeakPolarHBondContact O-CG1 3.5Å; D77-V100 HydrophobicContact CB-CG2 4.38Å; T78-V100 PolarHBondContact OG1-N 3.36Å; T78-V100 PolarHBondContact OG1-O 2.63Å; L98-V100 HydrophobicContact CD2-CG2 4.34Å; L98-V100 HydrophobicContact CG-CG2 4.13Å
101	S	85.8	Confident	89.5	Confident	107 Å²	107	88.8 Å²	88.8	75%	0.748	52%	0.515	S	S	*	.			trans	-88.5	148	173.8	55.5	0	0	0	0	111.4
102	S	74.9	Confident	90.6	Very high	164 Å²	164	85.8 Å²	85.8	100%	1.147	52%	0.519	S	S	*	.			trans	-72.4	0	173.4	57.2	0	0	0	0	112.6

Retrieved 102 of 102 residues in 22.9 ms (Link to these results)

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