X5J4P0_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4P0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 aa.

						>X5J4P0_MOUSE|X5J4P0
AELVKPGASVKLSCTASGFNIKDYYMHWVKQRTEQGLEWIGRIDPEDGETKYAPKFQGEATITADTSSNTAYLQLSSLTSEDTAVYYCARYYDYDNYFDYWGQGTTLTVSS
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	78	Confident	92.4	Very high	115 Å²	115	75.2 Å²	75.2	95%	0.95	46%	0.457	S	S	*	.				0	139.3	0	0	0	0	0	0	108.1	T106	A1-T106 CarbonylContact C-O 3.54Å; A1-T106 WeakPolarHBondContact CA-O 3.18Å
2	E	87.2	Confident	92.8	Very high	74 Å²	74	69.4 Å²	69.4	35%	0.346	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.6	-175.6	-165	174.2	165.3	0	0	109.8	V4 V10 T106 L107 T108	E2-V4 HydrophobicContact CG-CG1 3.95Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.39Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.43Å; E2-T106 PolarHBondContact N-O 3.4Å; E2-L107 HydrophobicContact CB-CD1 3.98Å; E2-L107 HydrophobicContact CG-CD1 4.35Å; E2-L107 WeakPolarHBondContact O-CA 3.45Å; E2-T108 PolarHBondContact O-N 3.46Å
3	L	92.6	Very high	93.1	Very high	125 Å²	125	69.6 Å²	69.6	65%	0.654	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.5	178.8	178.3	65.9	0	0	0	108.6	T108 S110	L3-T108 WeakPolarHBondContact CA-O 3.33Å; L3-T108 HydrophobicContact CD1-CG2 3.68Å; L3-S110 WeakPolarHBondContact CD1-OG 3.08Å
4	V	94.5	Very high	93.3	Very high	19 Å²	19	65.9 Å²	65.9	12%	0.115	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	158	-176.2	-57.9	0	0	0	0	111.3	E2 A8 L78 L107 T108 V109 S110	E2-V4 HydrophobicContact CG-CG1 3.95Å; V4-A8 HydrophobicContact CB-CB 4.23Å; V4-L78 HydrophobicContact CG2-CD1 3.57Å; V4-L107 HydrophobicContact CG1-CD1 4.27Å; V4-L107 HydrophobicContact CG2-CD1 3.9Å; V4-T108 PolarHBondContact N-O 2.63Å; V4-V109 HydrophobicContact CG2-CB 4.41Å; V4-V109 HydrophobicContact CG2-CG1 4.4Å; V4-V109 HydrophobicContact CG2-CG2 3.84Å; V4-V109 WeakPolarHBondContact O-CA 3.23Å; V4-S110 PolarHBondContact O-N 2.91Å
5	K	94.4	Very high	93.5	Very high	145 Å²	145	67.5 Å²	67.5	63%	0.63	42%	0.416	S	S	*	.			trans	-84.4	152.4	175.8	-66.6	-175.5	178	-175.9	0	110.7	A8	K5-A8 WeakPolarHBondContact O-CB 3.44Å; K5-A8 PolarHBondContact O-N 3Å; K5-A8 VanDerWaalsContact O-N 3.16Å
6	P	95.5	Very high	93.5	Very high	73 Å²	73	63.8 Å²	63.8	47%	0.474	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	141.3	170.3	-25.1	33.8	0	0	0	112.2	A8 L78 V109	P6-A8 VanDerWaalsContact C-N 3.27Å; P6-A8 PolarHBondContact O-N 3.14Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 3.36Å; P6-V109 HydrophobicContact CB-CG1 4.41Å; P6-V109 HydrophobicContact CG-CG1 4.14Å
7	G	93.1	Very high	93.4	Very high	56 Å²	56	66.5 Å²	66.5	58%	0.577	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-6.5	-176.2	0	0	0	0	0	115	L78	G7-L78 PolarHBondContact N-O 2.85Å
8	A	94.3	Very high	93.2	Very high	33 Å²	33	67.7 Å²	67.7	27%	0.273	44%	0.443	S	S	.	.			trans	-72.1	163.9	174.3	0	0	0	0	0	112	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.23Å; K5-A8 WeakPolarHBondContact O-CB 3.44Å; K5-A8 PolarHBondContact O-N 3Å; K5-A8 VanDerWaalsContact O-N 3.16Å; P6-A8 VanDerWaalsContact C-N 3.27Å; P6-A8 PolarHBondContact O-N 3.14Å; A8-S77 PolarHBondContact O-N 3.4Å; A8-L78 WeakPolarHBondContact O-CB 3.44Å; A8-L78 WeakPolarHBondContact O-CG 3.31Å; A8-L78 PolarHBondContact O-N 3.12Å
9	S	94.7	Very high	93	Very high	73 Å²	73	66.4 Å²	66.4	51%	0.51	43%	0.43	S	S	.	.			trans	-114.7	141.6	170.8	-59.2	0	0	0	0	109.4	L75 S76	S9-L75 CarbonylContact C-O 3.36Å; S9-L75 WeakPolarHBondContact CA-O 3.32Å; S9-L75 WeakPolarHBondContact CB-O 3.48Å; S9-S76 WeakPolarHBondContact OG-CA 3.07Å
10	V	95.4	Very high	93	Very high	3 Å²	3	66.6 Å²	66.6	2%	0.018	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	146.5	178.8	66.8	0	0	0	0	110.7	E2 L12 Q74 L75 L78 L107	E2-V10 WeakPolarHBondContact OE1-CG2 3.39Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.43Å; V10-L12 HydrophobicContact CG2-CD2 3.87Å; V10-L12 HydrophobicContact CG2-CG 4.37Å; V10-Q74 VanDerWaalsContact C-NE2 3.3Å; V10-Q74 CarbonylContact O-C 3.53Å; V10-Q74 WeakPolarHBondContact O-CA 3.31Å; V10-Q74 PolarHBondContact O-NE2 3.19Å; V10-L75 HydrophobicContact CG1-CB 3.95Å; V10-L75 HydrophobicContact CG1-CD1 4.16Å; V10-L75 HydrophobicContact CG1-CG 4.39Å; V10-L75 PolarHBondContact N-O 2.92Å; V10-L75 PolarHBondContact O-N 2.95Å; V10-L78 HydrophobicContact CB-CD1 4.1Å; V10-L78 HydrophobicContact CG1-CD1 3.76Å; V10-L78 HydrophobicContact CG1-CD2 4.49Å; V10-L107 HydrophobicContact CB-CD1 4.49Å; V10-L107 HydrophobicContact CG1-CD1 4.33Å; V10-L107 HydrophobicContact CG1-CD2 3.9Å; V10-L107 HydrophobicContact CG2-CD1 4.29Å
11	K	96.6	Very high	93	Very high	111 Å²	111	63.4 Å²	63.4	48%	0.483	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	105.9	172	-167.1	177.9	178.4	-177.7	0	109.8	Y72 L73 Q74	K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CD1 3.45Å; K11-Y72 VanDerWaalsContact CE-CG 3.42Å; K11-Y72 HydrophobicContact CG-CD1 4.42Å; K11-L73 WeakPolarHBondContact CA-O 3.07Å; K11-Q74 VanDerWaalsContact CB-OE1 3.31Å
12	L	97	Very high	93.8	Very high	6 Å²	6	62 Å²	62	3%	0.031	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	147.3	173.3	-55.6	179.9	0	0	0	109.8	V10 W28 Y72 L73 Y86 T105	V10-L12 HydrophobicContact CG2-CD2 3.87Å; V10-L12 HydrophobicContact CG2-CG 4.37Å; L12-W28 HydrophobicContact CB-CH2 3.93Å; L12-W28 HydrophobicContact CB-CZ3 3.99Å; L12-W28 HydrophobicContact CD1-CZ3 4.45Å; L12-Y72 CarbonylContact O-C 3.5Å; L12-Y72 WeakPolarHBondContact O-CA 3.45Å; L12-L73 HydrophobicContact CB-CB 4.44Å; L12-L73 HydrophobicContact CD1-CD2 4.36Å; L12-L73 PolarHBondContact N-O 3.25Å; L12-L73 PolarHBondContact O-N 2.85Å; L12-Y86 VanDerWaalsContact CD1-CB 3.49Å; L12-Y86 HydrophobicContact CD1-CD1 4.18Å; L12-Y86 HydrophobicContact CD1-CD2 4.13Å; L12-Y86 HydrophobicContact CD1-CG 3.67Å; L12-T105 HydrophobicContact CD2-CG2 4.04Å
13	S	96.9	Very high	94	Very high	72 Å²	72	62.5 Å²	62.5	50%	0.503	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	150.4	177	61.5	0	0	0	0	111.5	A71	S13-A71 CarbonylContact C-O 3.59Å; S13-A71 WeakPolarHBondContact CA-O 3.41Å
14	C	96.3	Very high	93.9	Very high	17 Å²	17	59.4 Å²	59.4	12%	0.115	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	105	174.5	177.1	0	0	0	0	109.2	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.88Å; C14-W28 HydrophobicContact CB-CZ2 3.92Å; C14-T70 CarbonylContact O-C 3.59Å; C14-T70 WeakPolarHBondContact O-CA 3.24Å; C14-A71 PolarHBondContact N-O 2.93Å; C14-A71 PolarHBondContact O-N 2.93Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.35Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.84Å
15	T	96.3	Very high	93.9	Very high	91 Å²	91	60.5 Å²	60.5	56%	0.558	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	121.4	179.2	-56.1	0	0	0	0	109.7	T70	T15-T70 WeakPolarHBondContact CB-OG1 3.35Å; T15-T70 WeakPolarHBondContact CG2-OG1 3.41Å; T15-T70 PolarHBondContact OG1-OG1 3.39Å
16	A	92.6	Very high	93.9	Very high	8 Å²	8	53.8 Å²	53.8	7%	0.066	34%	0.337	C	S	.	.			trans	-72.2	136.9	175.1	0	0	0	0	0	110.6	F19 I21 N69	A16-F19 HydrophobicContact CB-CD1 4.38Å; A16-F19 HydrophobicContact CB-CD2 4.1Å; A16-F19 HydrophobicContact CB-CE1 3.79Å; A16-F19 HydrophobicContact CB-CE2 3.45Å; A16-F19 VanDerWaalsContact CB-CE2 3.45Å; A16-F19 HydrophobicContact CB-CZ 3.27Å; A16-I21 HydrophobicContact CB-CB 4.1Å; A16-I21 HydrophobicContact CB-CD1 4.24Å; A16-I21 HydrophobicContact CB-CG1 4.15Å; A16-N69 VanDerWaalsContact CB-ND2 3.31Å; A16-N69 WeakPolarHBondContact CB-ND2 3.24Å; A16-N69 PolarHBondContact N-O 2.7Å; A16-N69 PolarHBondContact O-ND2 3.07Å
17	S	91.8	Very high	93.9	Very high	110 Å²	110	51 Å²	51	77%	0.769	32%	0.318	S	S	*	.			trans	-130.2	134.9	176.5	-179.1	0	0	0	0	109	F19	S17-F19 VanDerWaalsContact C-N 3.32Å; S17-F19 WeakPolarHBondContact O-CD1 3.34Å; S17-F19 PolarHBondContact O-N 2.86Å
18	G	90.4	Very high	94.1	Very high	87 Å²	87	48.6 Å²	48.6	90%	0.897	29%	0.291	S	S	*	.	S	Bend	trans	80.9	3.8	-179.3	0	0	0	0	0	115.5
19	F	89.1	Confident	94.2	Very high	44 Å²	44	47.2 Å²	47.2	19%	0.193	28%	0.28	C	S	.	.	S	Bend	trans	-153.4	159.7	172.7	64.3	-84.2	0	0	0	110.8	A16 S17 Y24 M26 N69 R90	A16-F19 HydrophobicContact CB-CD1 4.38Å; A16-F19 HydrophobicContact CB-CD2 4.1Å; A16-F19 HydrophobicContact CB-CE1 3.79Å; A16-F19 HydrophobicContact CB-CE2 3.45Å; A16-F19 VanDerWaalsContact CB-CE2 3.45Å; A16-F19 HydrophobicContact CB-CZ 3.27Å; S17-F19 VanDerWaalsContact C-N 3.32Å; S17-F19 WeakPolarHBondContact O-CD1 3.34Å; S17-F19 PolarHBondContact O-N 2.86Å; F19-Y24 HydrophobicContact CB-CE2 4.05Å; F19-Y24 AromaticContact CD2-CD2 3.57Å; F19-Y24 HydrophobicContact CD2-CD2 3.57Å; F19-Y24 AromaticContact CD2-CE2 3.83Å; F19-Y24 HydrophobicContact CD2-CE2 3.83Å; F19-Y24 HydrophobicContact CE2-CD2 4.1Å; F19-Y24 HydrophobicContact CG-CD2 4.42Å; F19-Y24 HydrophobicContact CG-CE2 4.25Å; F19-M26 HydrophobicContact CE2-SD 4.29Å; F19-M26 HydrophobicContact CZ-SD 4.49Å; F19-N69 PolarHBondContact O-ND2 2.8Å; F19-R90 HydrophobicContact CE2-CG 4.08Å; F19-R90 HydrophobicContact CZ-CB 4.42Å; F19-R90 VanDerWaalsContact CZ-CD 3.46Å; F19-R90 HydrophobicContact CZ-CG 4.22Å
20	N	92.9	Very high	94.2	Very high	69 Å²	69	43.8 Å²	43.8	37%	0.369	26%	0.256	S	S	.	.			trans	-83.5	124.4	171.7	174.8	13.1	0	0	0	109.4	K22 D23	N20-K22 PolarHBondContact O-N 3.39Å; N20-K22 PolarHBondContact OD1-N 3.16Å; N20-D23 WeakPolarHBondContact CB-OD2 3.35Å; N20-D23 PolarHBondContact ND2-OD1 2.88Å; N20-D23 PolarHBondContact O-N 2.9Å; N20-D23 VanDerWaalsContact O-N 3.15Å
21	I	93.9	Very high	94.2	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-64.3	-24.8	-174.9	-155.5	171.6	0	0	0	112.2	A16 D23 Y24 M26 P45 T66 N69 A71	A16-I21 HydrophobicContact CB-CB 4.1Å; A16-I21 HydrophobicContact CB-CD1 4.24Å; A16-I21 HydrophobicContact CB-CG1 4.15Å; I21-D23 PolarHBondContact O-N 3.17Å; I21-Y24 PolarHBondContact O-N 2.83Å; I21-Y24 VanDerWaalsContact O-O 3.13Å; I21-M26 HydrophobicContact CD1-CE 4.44Å; I21-M26 HydrophobicContact CD1-CG 3.84Å; I21-M26 HydrophobicContact CD1-SD 4.25Å; I21-M26 HydrophobicContact CG1-CG 3.54Å; I21-M26 HydrophobicContact CG1-SD 3.78Å; I21-P45 HydrophobicContact CG1-CG 4.07Å; I21-P45 HydrophobicContact CG2-CB 4.15Å; I21-P45 VanDerWaalsContact O-CG 3.28Å; I21-P45 WeakPolarHBondContact O-CG 3.27Å; I21-T66 HydrophobicContact CG2-CG2 4.23Å; I21-N69 WeakPolarHBondContact CB-OD1 3.23Å; I21-N69 VanDerWaalsContact CG2-OD1 3.29Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.33Å; I21-N69 PolarHBondContact N-OD1 2.88Å; I21-A71 HydrophobicContact CD1-CB 3.96Å
22	K	93.9	Very high	93.9	Very high	85 Å²	85	43.4 Å²	43.4	37%	0.37	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-63.1	-26.3	176.1	-68.8	-170.1	177.1	-166.2	0	113.5	N20 Y24 T66	N20-K22 PolarHBondContact O-N 3.39Å; N20-K22 PolarHBondContact OD1-N 3.16Å; K22-Y24 PolarHBondContact O-N 2.82Å; K22-T66 HydrophobicContact CD-CG2 4.11Å; K22-T66 VanDerWaalsContact CE-CG2 3.48Å; K22-T66 WeakPolarHBondContact CE-OG1 3.19Å; K22-T66 HydrophobicContact CG-CG2 3.48Å; K22-T66 VanDerWaalsContact CG-CG2 3.48Å
23	D	91.4	Very high	93	Very high	86 Å²	86	49.9 Å²	49.9	46%	0.46	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-83.4	2.9	-172.6	-51.2	-21.8	0	0	0	111.8	N20 I21 Y92	N20-D23 WeakPolarHBondContact CB-OD2 3.35Å; N20-D23 PolarHBondContact ND2-OD1 2.88Å; N20-D23 PolarHBondContact O-N 2.9Å; N20-D23 VanDerWaalsContact O-N 3.15Å; I21-D23 PolarHBondContact O-N 3.17Å; D23-Y92 WeakPolarHBondContact O-CD2 3.11Å; D23-Y92 WeakPolarHBondContact O-CE2 3.2Å
24	Y	91.2	Very high	92.2	Very high	60 Å²	60	55.6 Å²	55.6	24%	0.235	31%	0.313	C	S	.	.	S	Bend	trans	-147.9	150.8	-171.8	-60.1	-89	0	0	0	113.5	F19 I21 K22 P45 R90 Y92	F19-Y24 HydrophobicContact CB-CE2 4.05Å; F19-Y24 AromaticContact CD2-CD2 3.57Å; F19-Y24 HydrophobicContact CD2-CD2 3.57Å; F19-Y24 AromaticContact CD2-CE2 3.83Å; F19-Y24 HydrophobicContact CD2-CE2 3.83Å; F19-Y24 HydrophobicContact CE2-CD2 4.1Å; F19-Y24 HydrophobicContact CG-CD2 4.42Å; F19-Y24 HydrophobicContact CG-CE2 4.25Å; I21-Y24 PolarHBondContact O-N 2.83Å; I21-Y24 VanDerWaalsContact O-O 3.13Å; K22-Y24 PolarHBondContact O-N 2.82Å; Y24-P45 WeakPolarHBondContact O-CD 3.38Å; Y24-R90 VanDerWaalsContact CB-CG 3.42Å; Y24-R90 HydrophobicContact CD1-CG 3.67Å; Y24-R90 HydrophobicContact CD2-CG 4.25Å; Y24-R90 VanDerWaalsContact CG-CD 3.41Å; Y24-R90 HydrophobicContact CG-CG 3.52Å; Y24-Y92 AromaticContact CD1-CD2 3.88Å; Y24-Y92 HydrophobicContact CD1-CD2 3.88Å; Y24-Y92 HydrophobicContact CD1-CG 4.38Å; Y24-Y92 HydrophobicContact CE1-CD2 4.1Å; Y24-Y92 HydrophobicContact CE1-CG 4.45Å
25	Y	93.6	Very high	91.3	Very high	41 Å²	41	59.6 Å²	59.6	16%	0.161	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	134.7	164.9	-63.5	-59.8	0	0	0	111	H27 I43 D44 Y91 D93	Y25-H27 WeakPolarHBondContact CB-NE2 3.43Å; Y25-I43 WeakPolarHBondContact CA-O 3.39Å; Y25-D44 HydrophobicContact CD1-CB 3.81Å; Y25-D44 HydrophobicContact CE1-CB 3.54Å; Y25-D44 WeakPolarHBondContact CE1-OD2 3.37Å; Y25-Y91 WeakPolarHBondContact CB-O 3.25Å; Y25-Y91 HydrophobicContact CD2-CD1 4.36Å; Y25-Y91 PolarHBondContact N-O 3.34Å; Y25-Y91 PolarHBondContact O-N 2.83Å; Y25-D93 HydrophobicContact CE2-CB 4.04Å
26	M	95.4	Very high	90.8	Very high	4 Å²	4	58 Å²	58	2%	0.02	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	114	174.5	-63.1	-57.4	-57.7	0	0	109.3	F19 I21 R42 I43 P45 A71 R90	F19-M26 HydrophobicContact CE2-SD 4.29Å; F19-M26 HydrophobicContact CZ-SD 4.49Å; I21-M26 HydrophobicContact CD1-CE 4.44Å; I21-M26 HydrophobicContact CD1-CG 3.84Å; I21-M26 HydrophobicContact CD1-SD 4.25Å; I21-M26 HydrophobicContact CG1-CG 3.54Å; I21-M26 HydrophobicContact CG1-SD 3.78Å; M26-R42 CarbonylContact O-C 3.6Å; M26-R42 VanDerWaalsContact O-CA 3.23Å; M26-R42 WeakPolarHBondContact O-CA 3.4Å; M26-I43 HydrophobicContact CB-CG2 3.93Å; M26-I43 PolarHBondContact N-O 2.8Å; M26-I43 PolarHBondContact O-N 3.03Å; M26-P45 HydrophobicContact CG-CG 3.91Å; M26-A71 HydrophobicContact CB-CB 3.96Å; M26-A71 HydrophobicContact CG-CB 4.19Å; M26-R90 HydrophobicContact SD-CB 4.34Å; M26-R90 HydrophobicContact SD-CG 4.3Å
27	H	95.8	Very high	90.8	Very high	15 Å²	15	62.4 Å²	62.4	7%	0.069	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	148.3	-177.2	-66.9	-119	0	0	0	110.7	Y25 W39 G41 C88 A89 F98	Y25-H27 WeakPolarHBondContact CB-NE2 3.43Å; H27-W39 AromaticContact CG-NE1 3.83Å; H27-W39 AromaticContact ND1-CD1 3.93Å; H27-W39 AromaticContact ND1-CE2 3.86Å; H27-W39 AromaticContact ND1-NE1 3.08Å; H27-W39 PolarHBondContact ND1-NE1 3.02Å; H27-G41 WeakPolarHBondContact CA-O 3.44Å; H27-C88 CarbonylContact O-C 3.57Å; H27-C88 WeakPolarHBondContact O-CA 3.4Å; H27-A89 PolarHBondContact N-O 3.21Å; H27-A89 PolarHBondContact O-N 2.82Å; H27-F98 HydrophobicContact CB-CE1 3.6Å; H27-F98 HydrophobicContact CB-CZ 4.07Å; H27-F98 AromaticContact CD2-CE1 3.71Å; H27-F98 AromaticContact CE1-CE1 3.96Å; H27-F98 AromaticContact CG-CE1 3.37Å; H27-F98 AromaticContact CG-CZ 3.85Å; H27-F98 AromaticContact ND1-CE1 3.53Å; H27-F98 AromaticContact ND1-CZ 3.59Å
28	W	97.1	Very high	90.9	Very high	5 Å²	5	59 Å²	59	2%	0.019	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.8	172	-72.9	95.1	0	0	0	110.4	L12 C14 I40 G41 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.93Å; L12-W28 HydrophobicContact CB-CZ3 3.99Å; L12-W28 HydrophobicContact CD1-CZ3 4.45Å; C14-W28 HydrophobicContact CB-CH2 3.88Å; C14-W28 HydrophobicContact CB-CZ2 3.92Å; W28-I40 HydrophobicContact CB-CB 4.13Å; W28-I40 HydrophobicContact CB-CD1 4.22Å; W28-I40 WeakPolarHBondContact O-CB 3.39Å; W28-I40 PolarHBondContact O-N 2.94Å; W28-G41 PolarHBondContact N-O 2.9Å; W28-L73 HydrophobicContact CB-CD2 4.15Å; W28-L73 HydrophobicContact CD2-CB 3.48Å; W28-L73 VanDerWaalsContact CD2-CB 3.48Å; W28-L73 HydrophobicContact CD2-CD2 3.9Å; W28-L73 HydrophobicContact CD2-CG 4.25Å; W28-L73 VanDerWaalsContact CE2-CB 3.48Å; W28-L73 HydrophobicContact CE3-CB 3.78Å; W28-L73 HydrophobicContact CE3-CD2 3.7Å; W28-L73 HydrophobicContact CE3-CG 4.39Å; W28-L73 HydrophobicContact CG-CB 3.95Å; W28-L73 HydrophobicContact CG-CD2 4.11Å; W28-L73 HydrophobicContact CG-CG 4.42Å; W28-L73 HydrophobicContact CH2-CB 4.04Å; W28-L73 HydrophobicContact CZ2-CB 3.77Å; W28-L73 HydrophobicContact CZ3-CB 4.04Å; W28-L73 HydrophobicContact CZ3-CD2 4.36Å; W28-Y87 WeakPolarHBondContact CA-O 3.22Å; W28-C88 HydrophobicContact CD2-CB 4.42Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.33Å; W28-C88 HydrophobicContact CZ2-CB 4.43Å; W28-C88 HydrophobicContact CZ3-CB 4.25Å
29	V	95.8	Very high	91.1	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.03	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	133.3	-174.9	-176.1	0	0	0	0	109.3	L37 E38 Y86 Y87 W101	V29-L37 HydrophobicContact CG1-CB 3.81Å; V29-L37 HydrophobicContact CG1-CD2 3.88Å; V29-L37 HydrophobicContact CG1-CG 4.35Å; V29-E38 CarbonylContact C-O 3.6Å; V29-E38 WeakPolarHBondContact CA-O 3.27Å; V29-E38 WeakPolarHBondContact CG1-O 3.04Å; V29-Y86 CarbonylContact O-C 3.54Å; V29-Y86 WeakPolarHBondContact O-CA 3.46Å; V29-Y87 PolarHBondContact N-O 2.82Å; V29-Y87 PolarHBondContact O-N 2.79Å; V29-W101 HydrophobicContact CB-CH2 4.13Å; V29-W101 HydrophobicContact CB-CZ3 3.86Å; V29-W101 HydrophobicContact CG1-CH2 4.06Å; V29-W101 HydrophobicContact CG1-CZ3 4.02Å; V29-W101 HydrophobicContact CG2-CH2 3.8Å; V29-W101 HydrophobicContact CG2-CZ3 3.93Å
30	K	95.3	Very high	91.5	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.5	174.8	-178.1	176.8	179	175.2	0	109.1	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 3.14Å; K30-E38 PolarHBondContact O-N 3.06Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; K30-F56 HydrophobicContact CD-CE1 4.16Å; K30-F56 HydrophobicContact CD-CZ 4.1Å; K30-E81 WeakPolarHBondContact CE-O 3.14Å; K30-E81 PolarHBondContact NZ-O 3.28Å; K30-D82 IonicContact NZ-OD1 3.45Å; K30-D82 PolarHBondContact NZ-OD1 2.86Å; K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.53Å; K30-Y86 HydrophobicContact CB-CD1 4.28Å; K30-Y86 HydrophobicContact CB-CE1 4.02Å; K30-Y86 HydrophobicContact CD-CE1 3.97Å; K30-Y86 WeakPolarHBondContact CE-OH 3.43Å; K30-Y86 HydrophobicContact CG-CD1 4.45Å; K30-Y86 HydrophobicContact CG-CE1 3.86Å
31	Q	95.1	Very high	91.6	Very high	72 Å²	72	53.9 Å²	53.9	34%	0.336	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	116.8	171.6	-168.3	-178.6	22.3	0	0	109.5	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.75Å; Q31-L37 HydrophobicContact CG-CD2 3.83Å; Q31-A84 WeakPolarHBondContact O-CA 3.44Å; Q31-A84 VanDerWaalsContact O-CB 3.24Å; Q31-A84 WeakPolarHBondContact O-CB 2.85Å; Q31-V85 PolarHBondContact N-O 3.34Å; Q31-V85 PolarHBondContact O-N 2.87Å; Q31-Y87 HydrophobicContact CB-CD2 4.27Å; Q31-Y87 HydrophobicContact CB-CE2 3.75Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.29Å; Q31-Y87 PolarHBondContact OE1-OH 2.75Å
32	R	90.4	Very high	91.7	Very high	34 Å²	34	54.7 Å²	54.7	13%	0.128	28%	0.275	C	S	.	.			trans	-89.9	149	171.2	-42	-164.8	-166.8	-167	-14.5	109.3	E34 Q35 E38 K55 E81 A84	R32-E34 PolarHBondContact O-N 2.92Å; R32-Q35 HydrophobicContact CB-CB 4Å; R32-Q35 HydrophobicContact CB-CG 4.44Å; R32-Q35 HydrophobicContact CG-CB 4.35Å; R32-Q35 PolarHBondContact O-N 2.97Å; R32-Q35 VanDerWaalsContact O-N 3.14Å; R32-E38 IonicContact CZ-OE2 3.33Å; R32-E38 IonicContact NE-OE2 3.81Å; R32-E38 PolarHBondContact NE-OE2 2.88Å; R32-E38 IonicContact NH2-OE2 2.85Å; R32-E38 PolarHBondContact NH2-OE2 2.81Å; R32-K55 VanDerWaalsContact NH2-NZ 3.1Å; R32-E81 IonicContact NH1-OE2 2.85Å; R32-A84 HydrophobicContact CG-CB 4.41Å
33	T	78.3	Confident	91.9	Very high	142 Å²	142	51 Å²	51	87%	0.871	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-21.7	-174.6	-32.2	0	0	0	0	113.7
34	E	80.4	Confident	92.1	Very high	192 Å²	192	47.7 Å²	47.7	90%	0.897	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.8	1.8	-179.4	-59.7	-175.7	174.8	0	0	113.6	R32	R32-E34 PolarHBondContact O-N 2.92Å
35	Q	76.3	Confident	92.3	Very high	102 Å²	102	45.3 Å²	45.3	48%	0.477	23%	0.234	S	C	.	.	S	Bend	trans	-125.1	155	-179.7	-60	177.8	-9.5	0	0	109.9	R32	R32-Q35 HydrophobicContact CB-CB 4Å; R32-Q35 HydrophobicContact CB-CG 4.44Å; R32-Q35 HydrophobicContact CG-CB 4.35Å; R32-Q35 PolarHBondContact O-N 2.97Å; R32-Q35 VanDerWaalsContact O-N 3.14Å
36	G	86.6	Confident	92.4	Very high	57 Å²	57	50.5 Å²	50.5	59%	0.588	26%	0.259	S	S	*	.			trans	-62.6	-175.6	177.5	0	0	0	0	0	113.2	E38	G36-E38 PolarHBondContact O-N 3.06Å
37	L	92.3	Very high	92.3	Very high	100 Å²	100	55.8 Å²	55.8	52%	0.524	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	123.8	172.9	-64.8	171.8	0	0	0	110	V29 Q31 W101	V29-L37 HydrophobicContact CG1-CB 3.81Å; V29-L37 HydrophobicContact CG1-CD2 3.88Å; V29-L37 HydrophobicContact CG1-CG 4.35Å; Q31-L37 HydrophobicContact CB-CD2 3.75Å; Q31-L37 HydrophobicContact CG-CD2 3.83Å; L37-W101 HydrophobicContact CD1-CH2 3.97Å; L37-W101 HydrophobicContact CD1-CZ3 4.49Å
38	E	94.2	Very high	92.3	Very high	39 Å²	39	57.1 Å²	57.1	18%	0.182	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	116.2	172.9	-60.5	-174	94	0	0	109	V29 K30 R32 G36 I40 K55 F56	V29-E38 CarbonylContact C-O 3.6Å; V29-E38 WeakPolarHBondContact CA-O 3.27Å; V29-E38 WeakPolarHBondContact CG1-O 3.04Å; K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 3.14Å; K30-E38 PolarHBondContact O-N 3.06Å; R32-E38 IonicContact CZ-OE2 3.33Å; R32-E38 IonicContact NE-OE2 3.81Å; R32-E38 PolarHBondContact NE-OE2 2.88Å; R32-E38 IonicContact NH2-OE2 2.85Å; R32-E38 PolarHBondContact NH2-OE2 2.81Å; G36-E38 PolarHBondContact O-N 3.06Å; E38-I40 PolarHBondContact O-N 2.79Å; E38-K55 IonicContact OE1-NZ 2.85Å; E38-K55 PolarHBondContact OE1-NZ 3.45Å; E38-K55 IonicContact OE2-NZ 2.81Å; E38-F56 HydrophobicContact CB-CE2 4.39Å; E38-F56 HydrophobicContact CB-CZ 4.41Å
39	W	94.5	Very high	92.2	Very high	93 Å²	93	60.4 Å²	60.4	35%	0.352	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	125.6	174.3	-179.1	69.9	0	0	0	110.4	H27 G41 R42 K51 A53	H27-W39 AromaticContact CG-NE1 3.83Å; H27-W39 AromaticContact ND1-CD1 3.93Å; H27-W39 AromaticContact ND1-CE2 3.86Å; H27-W39 AromaticContact ND1-NE1 3.08Å; H27-W39 PolarHBondContact ND1-NE1 3.02Å; W39-G41 VanDerWaalsContact CE2-C 3.44Å; W39-G41 VanDerWaalsContact CE2-CA 3.49Å; W39-G41 PolarHBondContact NE1-O 2.84Å; W39-G41 VanDerWaalsContact NE1-O 3.09Å; W39-R42 HydrophobicContact CZ2-CB 4.03Å; W39-R42 HydrophobicContact CZ2-CG 4.1Å; W39-K51 HydrophobicContact CH2-CB 4.09Å; W39-A53 HydrophobicContact CE3-CB 3.86Å; W39-A53 HydrophobicContact CZ3-CB 4.14Å; W39-A53 WeakPolarHBondContact O-CB 3.49Å
40	I	96.3	Very high	92.3	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-50.4	179.8	-63.5	169.7	0	0	0	110	W28 K30 E38 Y52 A53 F56 A60 L73 Y86	W28-I40 HydrophobicContact CB-CB 4.13Å; W28-I40 HydrophobicContact CB-CD1 4.22Å; W28-I40 WeakPolarHBondContact O-CB 3.39Å; W28-I40 PolarHBondContact O-N 2.94Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; E38-I40 PolarHBondContact O-N 2.79Å; I40-Y52 WeakPolarHBondContact O-CA 3.49Å; I40-A53 PolarHBondContact O-N 2.9Å; I40-F56 HydrophobicContact CB-CD2 4.19Å; I40-F56 HydrophobicContact CB-CE2 4.47Å; I40-F56 HydrophobicContact CB-CG 4.27Å; I40-F56 HydrophobicContact CG1-CD1 4.22Å; I40-F56 HydrophobicContact CG1-CD2 4.14Å; I40-F56 HydrophobicContact CG1-CE1 4.06Å; I40-F56 HydrophobicContact CG1-CE2 3.97Å; I40-F56 HydrophobicContact CG1-CG 4.25Å; I40-F56 HydrophobicContact CG1-CZ 3.93Å; I40-F56 HydrophobicContact CG2-CB 3.9Å; I40-F56 HydrophobicContact CG2-CD1 4.23Å; I40-F56 HydrophobicContact CG2-CD2 4.29Å; I40-F56 HydrophobicContact CG2-CG 3.89Å; I40-A60 HydrophobicContact CG2-CB 3.8Å; I40-L73 HydrophobicContact CD1-CD2 3.69Å; I40-L73 HydrophobicContact CG2-CD1 4.17Å; I40-Y86 HydrophobicContact CD1-CD1 3.78Å; I40-Y86 HydrophobicContact CD1-CE1 3.89Å
41	G	96.3	Very high	92.3	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.9	178.2	-172.4	0	0	0	0	0	112.9	H27 W28 W39 K51	H27-G41 WeakPolarHBondContact CA-O 3.44Å; W28-G41 PolarHBondContact N-O 2.9Å; W39-G41 VanDerWaalsContact CE2-C 3.44Å; W39-G41 VanDerWaalsContact CE2-CA 3.49Å; W39-G41 PolarHBondContact NE1-O 2.84Å; W39-G41 VanDerWaalsContact NE1-O 3.09Å; G41-K51 CarbonylContact C-O 3.6Å; G41-K51 WeakPolarHBondContact CA-O 2.94Å
42	R	96	Very high	92.4	Very high	17 Å²	17	66.6 Å²	66.6	6%	0.064	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	158.6	171.2	71.9	155.2	178.2	80.6	-10.2	111.6	M26 W39 E49 T50 K51	M26-R42 CarbonylContact O-C 3.6Å; M26-R42 VanDerWaalsContact O-CA 3.23Å; M26-R42 WeakPolarHBondContact O-CA 3.4Å; W39-R42 HydrophobicContact CZ2-CB 4.03Å; W39-R42 HydrophobicContact CZ2-CG 4.1Å; R42-E49 IonicContact CZ-OE2 3.8Å; R42-E49 IonicContact NH1-OE2 3.39Å; R42-E49 PolarHBondContact NH1-OE2 2.94Å; R42-E49 IonicContact NH2-OE2 3.49Å; R42-E49 PolarHBondContact NH2-OE2 3.4Å; R42-T50 VanDerWaalsContact O-CA 3.31Å; R42-T50 WeakPolarHBondContact O-CA 3.44Å; R42-K51 HydrophobicContact CG-CB 4.13Å; R42-K51 PolarHBondContact N-O 3.4Å; R42-K51 VanDerWaalsContact NH2-NZ 3.14Å; R42-K51 PolarHBondContact O-N 2.85Å
43	I	96.9	Very high	92.6	Very high	8 Å²	8	65.8 Å²	65.8	4%	0.041	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.7	163.2	-174	162.6	0	0	0	109.7	Y25 M26 P45 E49 T50 I62 A64	Y25-I43 WeakPolarHBondContact CA-O 3.39Å; M26-I43 HydrophobicContact CB-CG2 3.93Å; M26-I43 PolarHBondContact N-O 2.8Å; M26-I43 PolarHBondContact O-N 3.03Å; I43-P45 HydrophobicContact CG2-CG 4.44Å; I43-P45 WeakPolarHBondContact O-CD 3.42Å; I43-E49 CarbonylContact C-O 3.6Å; I43-E49 WeakPolarHBondContact CA-O 3.38Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.92Å; I43-T50 HydrophobicContact CG1-CG2 3.82Å; I43-I62 HydrophobicContact CB-CG2 3.61Å; I43-I62 HydrophobicContact CG2-CG2 3.51Å; I43-A64 HydrophobicContact CD1-CB 3.95Å; I43-A64 HydrophobicContact CG2-CB 4.35Å
44	D	95.9	Very high	93.4	Very high	15 Å²	15	64.6 Å²	64.6	8%	0.08	35%	0.345	C	S	.	.			trans	-86.6	110.3	157.5	-162.6	-33	0	0	0	109.1	Y25 E46 D47 G48 E49	Y25-D44 HydrophobicContact CD1-CB 3.81Å; Y25-D44 HydrophobicContact CE1-CB 3.54Å; Y25-D44 WeakPolarHBondContact CE1-OD2 3.37Å; D44-E46 PolarHBondContact O-N 3.35Å; D44-E46 VanDerWaalsContact OD1-CB 3.25Å; D44-E46 WeakPolarHBondContact OD1-CB 3.37Å; D44-E46 PolarHBondContact OD1-N 2.82Å; D44-D47 VanDerWaalsContact CB-OD1 3.31Å; D44-D47 WeakPolarHBondContact CB-OD1 3.33Å; D44-G48 CarbonylContact O-C 3.6Å; D44-G48 WeakPolarHBondContact O-CA 3.16Å; D44-G48 PolarHBondContact O-N 3.49Å; D44-E49 HydrophobicContact CB-CB 4.09Å; D44-E49 PolarHBondContact N-O 2.83Å
45	P	96	Very high	93.9	Very high	11 Å²	11	60.2 Å²	60.2	7%	0.071	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-13.3	179	-19.3	36.6	0	0	0	113.3	I21 Y24 M26 I43 A64 T66	I21-P45 HydrophobicContact CG1-CG 4.07Å; I21-P45 HydrophobicContact CG2-CB 4.15Å; I21-P45 VanDerWaalsContact O-CG 3.28Å; I21-P45 WeakPolarHBondContact O-CG 3.27Å; Y24-P45 WeakPolarHBondContact O-CD 3.38Å; M26-P45 HydrophobicContact CG-CG 3.91Å; I43-P45 HydrophobicContact CG2-CG 4.44Å; I43-P45 WeakPolarHBondContact O-CD 3.42Å; P45-A64 HydrophobicContact CB-CB 3.84Å; P45-A64 HydrophobicContact CG-CB 4.12Å; P45-T66 HydrophobicContact CB-CG2 3.98Å; P45-T66 VanDerWaalsContact O-CG2 3.23Å; P45-T66 WeakPolarHBondContact O-CG2 3.49Å
46	E	94.6	Very high	94.6	Very high	149 Å²	149	55.7 Å²	55.7	70%	0.696	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-49.8	177	-173.2	173.8	-164.3	0	0	111.5	D44	D44-E46 PolarHBondContact O-N 3.35Å; D44-E46 VanDerWaalsContact OD1-CB 3.25Å; D44-E46 WeakPolarHBondContact OD1-CB 3.37Å; D44-E46 PolarHBondContact OD1-N 2.82Å
47	D	94.8	Very high	94.8	Very high	115 Å²	115	59.8 Å²	59.8	62%	0.615	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	-7.9	-174.6	70.4	6.2	0	0	0	114.5	D44 E49	D44-D47 VanDerWaalsContact CB-OD1 3.31Å; D44-D47 WeakPolarHBondContact CB-OD1 3.33Å; D47-E49 VanDerWaalsContact OD1-CB 3.27Å; D47-E49 WeakPolarHBondContact OD1-CB 3.42Å; D47-E49 PolarHBondContact OD1-N 3.07Å
48	G	95.2	Very high	94.7	Very high	43 Å²	43	58.5 Å²	58.5	44%	0.443	32%	0.316	S	S	.	.			trans	84	8.3	179.7	0	0	0	0	0	114.7	D44 T50	D44-G48 CarbonylContact O-C 3.6Å; D44-G48 WeakPolarHBondContact O-CA 3.16Å; D44-G48 PolarHBondContact O-N 3.49Å; G48-T50 PolarHBondContact O-N 3.38Å
49	E	95.9	Very high	94.5	Very high	74 Å²	74	61.5 Å²	61.5	35%	0.346	33%	0.331	S	S	.	.			trans	-60.5	127.7	178.1	-167.8	-150.7	-169.9	0	0	110.5	R42 I43 D44 D47 K51	R42-E49 IonicContact CZ-OE2 3.8Å; R42-E49 IonicContact NH1-OE2 3.39Å; R42-E49 PolarHBondContact NH1-OE2 2.94Å; R42-E49 IonicContact NH2-OE2 3.49Å; R42-E49 PolarHBondContact NH2-OE2 3.4Å; I43-E49 CarbonylContact C-O 3.6Å; I43-E49 WeakPolarHBondContact CA-O 3.38Å; D44-E49 HydrophobicContact CB-CB 4.09Å; D44-E49 PolarHBondContact N-O 2.83Å; D47-E49 VanDerWaalsContact OD1-CB 3.27Å; D47-E49 WeakPolarHBondContact OD1-CB 3.42Å; D47-E49 PolarHBondContact OD1-N 3.07Å; E49-K51 WeakPolarHBondContact OE1-CE 3.43Å; E49-K51 IonicContact OE1-NZ 2.7Å; E49-K51 PolarHBondContact OE1-NZ 3.4Å
50	T	97.1	Very high	94.6	Very high	54 Å²	54	57.3 Å²	57.3	33%	0.331	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	144.5	176.5	52.8	0	0	0	0	111.9	R42 I43 G48 Y52 I62	R42-T50 VanDerWaalsContact O-CA 3.31Å; R42-T50 WeakPolarHBondContact O-CA 3.44Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.92Å; I43-T50 HydrophobicContact CG1-CG2 3.82Å; G48-T50 PolarHBondContact O-N 3.38Å; T50-Y52 WeakPolarHBondContact OG1-CE2 2.99Å; T50-I62 HydrophobicContact CG2-CB 4.47Å
51	K	96	Very high	94.7	Very high	96 Å²	96	60.9 Å²	60.9	42%	0.417	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.9	170.2	-67.8	-177.1	-179.6	161.4	0	109.1	W39 G41 R42 E49	W39-K51 HydrophobicContact CH2-CB 4.09Å; G41-K51 CarbonylContact C-O 3.6Å; G41-K51 WeakPolarHBondContact CA-O 2.94Å; R42-K51 HydrophobicContact CG-CB 4.13Å; R42-K51 PolarHBondContact N-O 3.4Å; R42-K51 VanDerWaalsContact NH2-NZ 3.14Å; R42-K51 PolarHBondContact O-N 2.85Å; E49-K51 WeakPolarHBondContact OE1-CE 3.43Å; E49-K51 IonicContact OE1-NZ 2.7Å; E49-K51 PolarHBondContact OE1-NZ 3.4Å
52	Y	96.8	Very high	94.7	Very high	57 Å²	57	61.1 Å²	61.1	22%	0.224	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	148.9	-178.5	-61.4	-90.7	0	0	0	109.8	I40 T50 A60 I62	I40-Y52 WeakPolarHBondContact O-CA 3.49Å; T50-Y52 WeakPolarHBondContact OG1-CE2 2.99Å; Y52-A60 HydrophobicContact CD1-CB 4.39Å; Y52-A60 HydrophobicContact CE1-CB 4.26Å; Y52-A60 WeakPolarHBondContact CE1-O 3.22Å; Y52-I62 HydrophobicContact CD1-CD1 4.19Å; Y52-I62 HydrophobicContact CE1-CB 4.35Å; Y52-I62 HydrophobicContact CE1-CD1 3.76Å; Y52-I62 HydrophobicContact CE1-CG1 3.82Å; Y52-I62 PolarHBondContact OH-N 2.81Å
53	A	95.3	Very high	94.8	Very high	18 Å²	18	63.1 Å²	63.1	15%	0.149	35%	0.353	C	S	.	.			trans	-69	146.1	161.5	0	0	0	0	0	109.3	W39 I40 K55 F56 Q57	W39-A53 HydrophobicContact CE3-CB 3.86Å; W39-A53 HydrophobicContact CZ3-CB 4.14Å; W39-A53 WeakPolarHBondContact O-CB 3.49Å; I40-A53 PolarHBondContact O-N 2.9Å; A53-K55 PolarHBondContact O-N 2.87Å; A53-F56 HydrophobicContact CB-CD2 4.15Å; A53-F56 PolarHBondContact O-N 3.09Å; A53-Q57 PolarHBondContact O-N 2.8Å
54	P	93.9	Very high	94.9	Very high	116 Å²	116	64.3 Å²	64.3	75%	0.753	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-52.8	-34.3	-175.8	-29.5	35.3	0	0	0	114.3	F56 Q57	P54-F56 VanDerWaalsContact C-N 3.31Å; P54-F56 PolarHBondContact O-N 2.89Å; P54-Q57 PolarHBondContact O-N 3.08Å
55	K	90.4	Very high	94.9	Very high	101 Å²	101	66.3 Å²	66.3	44%	0.439	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-63.6	-32.1	178.9	-178.5	175.2	176.9	177.5	0	113.7	R32 E38 A53	R32-K55 VanDerWaalsContact NH2-NZ 3.1Å; E38-K55 IonicContact OE1-NZ 2.85Å; E38-K55 PolarHBondContact OE1-NZ 3.45Å; E38-K55 IonicContact OE2-NZ 2.81Å; A53-K55 PolarHBondContact O-N 2.87Å
56	F	91.9	Very high	94.9	Very high	7 Å²	7	68.1 Å²	68.1	3%	0.031	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-103.2	4	-174.2	-62.4	-79.1	0	0	0	112.8	K30 E38 I40 A53 P54 G58 E59 A60	K30-F56 HydrophobicContact CD-CE1 4.16Å; K30-F56 HydrophobicContact CD-CZ 4.1Å; E38-F56 HydrophobicContact CB-CE2 4.39Å; E38-F56 HydrophobicContact CB-CZ 4.41Å; I40-F56 HydrophobicContact CB-CD2 4.19Å; I40-F56 HydrophobicContact CB-CE2 4.47Å; I40-F56 HydrophobicContact CB-CG 4.27Å; I40-F56 HydrophobicContact CG1-CD1 4.22Å; I40-F56 HydrophobicContact CG1-CD2 4.14Å; I40-F56 HydrophobicContact CG1-CE1 4.06Å; I40-F56 HydrophobicContact CG1-CE2 3.97Å; I40-F56 HydrophobicContact CG1-CG 4.25Å; I40-F56 HydrophobicContact CG1-CZ 3.93Å; I40-F56 HydrophobicContact CG2-CB 3.9Å; I40-F56 HydrophobicContact CG2-CD1 4.23Å; I40-F56 HydrophobicContact CG2-CD2 4.29Å; I40-F56 HydrophobicContact CG2-CG 3.89Å; A53-F56 HydrophobicContact CB-CD2 4.15Å; A53-F56 PolarHBondContact O-N 3.09Å; P54-F56 VanDerWaalsContact C-N 3.31Å; P54-F56 PolarHBondContact O-N 2.89Å; F56-G58 PolarHBondContact O-N 3.03Å; F56-E59 PolarHBondContact O-N 3.38Å; F56-A60 HydrophobicContact CB-CB 4.19Å; F56-A60 PolarHBondContact O-N 3.46Å; F56-A60 VanDerWaalsContact O-N 3.09Å
57	Q	91.5	Very high	95	Very high	143 Å²	143	66.2 Å²	66.2	67%	0.668	39%	0.389	S	S	*	.	B	Isolated β-bridge	trans	-69.2	116.2	-179.8	-167.9	165	5.3	0	0	109.9	A53 P54 E59	A53-Q57 PolarHBondContact O-N 2.8Å; P54-Q57 PolarHBondContact O-N 3.08Å; Q57-E59 VanDerWaalsContact C-N 3.33Å
58	G	88.9	Confident	95.1	Very high	72 Å²	72	63 Å²	63	74%	0.742	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.1	-17.1	-177	0	0	0	0	0	115	F56	F56-G58 PolarHBondContact O-N 3.03Å
59	E	91.3	Very high	95.2	Very high	103 Å²	103	62.6 Å²	62.6	48%	0.481	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-32.3	174.6	-61.9	-174	169.5	0	0	112.3	F56 Q57 S76	F56-E59 PolarHBondContact O-N 3.38Å; Q57-E59 VanDerWaalsContact C-N 3.33Å; E59-S76 PolarHBondContact O-N 2.85Å
60	A	95.6	Very high	95.2	Very high	4 Å²	4	59.3 Å²	59.3	3%	0.033	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	144	178.7	0	0	0	0	0	111.4	I40 Y52 F56 L73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.8Å; Y52-A60 HydrophobicContact CD1-CB 4.39Å; Y52-A60 HydrophobicContact CE1-CB 4.26Å; Y52-A60 WeakPolarHBondContact CE1-O 3.22Å; F56-A60 HydrophobicContact CB-CB 4.19Å; F56-A60 PolarHBondContact O-N 3.46Å; F56-A60 VanDerWaalsContact O-N 3.09Å; A60-L73 HydrophobicContact CB-CD1 3.85Å; A60-Q74 CarbonylContact C-O 3.58Å; A60-Q74 WeakPolarHBondContact CA-O 2.99Å; A60-L75 HydrophobicContact CB-CD2 3.97Å
61	T	97.6	Very high	95.3	Very high	76 Å²	76	56.8 Å²	56.8	47%	0.466	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118.6	166.8	-59.2	0	0	0	0	109.1	T63 Q74	T61-T63 HydrophobicContact CG2-CG2 4.22Å; T61-Q74 PolarHBondContact N-O 3.16Å; T61-Q74 PolarHBondContact O-N 2.83Å
62	I	98.1	Very high	95.4	Very high	5 Å²	5	54.5 Å²	54.5	3%	0.026	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.8	177.6	-58.1	166.6	0	0	0	108.7	I43 T50 Y52 Y72 L73	I43-I62 HydrophobicContact CB-CG2 3.61Å; I43-I62 HydrophobicContact CG2-CG2 3.51Å; T50-I62 HydrophobicContact CG2-CB 4.47Å; Y52-I62 HydrophobicContact CD1-CD1 4.19Å; Y52-I62 HydrophobicContact CE1-CB 4.35Å; Y52-I62 HydrophobicContact CE1-CD1 3.76Å; Y52-I62 HydrophobicContact CE1-CG1 3.82Å; Y52-I62 PolarHBondContact OH-N 2.81Å; I62-Y72 WeakPolarHBondContact CA-O 3.2Å; I62-L73 HydrophobicContact CG1-CD1 3.9Å
63	T	97.9	Very high	95.4	Very high	58 Å²	58	51.8 Å²	51.8	36%	0.356	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	165.2	176	54.2	0	0	0	0	110.3	T61 A71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.22Å; T63-A71 CarbonylContact O-C 3.51Å; T63-Y72 PolarHBondContact N-O 2.91Å; T63-Y72 PolarHBondContact O-N 2.81Å
64	A	97.6	Very high	95.5	Very high	33 Å²	33	54 Å²	54	27%	0.273	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	143.1	174.7	0	0	0	0	0	110.6	I43 P45 T70	I43-A64 HydrophobicContact CD1-CB 3.95Å; I43-A64 HydrophobicContact CG2-CB 4.35Å; P45-A64 HydrophobicContact CB-CB 3.84Å; P45-A64 HydrophobicContact CG-CB 4.12Å; A64-T70 CarbonylContact C-O 3.54Å; A64-T70 WeakPolarHBondContact CA-O 3.48Å
65	D	97.3	Very high	95.6	Very high	57 Å²	57	48.9 Å²	48.9	31%	0.305	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	109.9	168.6	174.7	10	0	0	0	108.5	S67 S68 N69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.01Å; D65-S67 PolarHBondContact OD1-N 3.09Å; D65-S67 PolarHBondContact OD1-OG 3.21Å; D65-S67 PolarHBondContact OD2-OG 3.25Å; D65-S68 WeakPolarHBondContact CB-OG 3.46Å; D65-S68 PolarHBondContact OD1-N 3.43Å; D65-S68 WeakPolarHBondContact OD2-CB 3.21Å; D65-S68 PolarHBondContact OD2-OG 2.02Å; D65-N69 PolarHBondContact O-N 3.01Å; D65-T70 PolarHBondContact N-O 3.17Å; D65-T70 PolarHBondContact O-N 2.81Å; D65-Y72 HydrophobicContact CB-CE2 3.96Å
66	T	96.1	Very high	95.7	Very high	50 Å²	50	46.5 Å²	46.5	31%	0.307	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-17.1	-176.1	61.2	0	0	0	0	112.8	I21 K22 P45	I21-T66 HydrophobicContact CG2-CG2 4.23Å; K22-T66 HydrophobicContact CD-CG2 4.11Å; K22-T66 VanDerWaalsContact CE-CG2 3.48Å; K22-T66 WeakPolarHBondContact CE-OG1 3.19Å; K22-T66 HydrophobicContact CG-CG2 3.48Å; K22-T66 VanDerWaalsContact CG-CG2 3.48Å; P45-T66 HydrophobicContact CB-CG2 3.98Å; P45-T66 VanDerWaalsContact O-CG2 3.23Å; P45-T66 WeakPolarHBondContact O-CG2 3.49Å
67	S	95.8	Very high	95.8	Very high	109 Å²	109	50.3 Å²	50.3	76%	0.762	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-36.6	174.3	73.6	0	0	0	0	111.7	D65	D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.01Å; D65-S67 PolarHBondContact OD1-N 3.09Å; D65-S67 PolarHBondContact OD1-OG 3.21Å; D65-S67 PolarHBondContact OD2-OG 3.25Å
68	S	97.1	Very high	95.9	Very high	46 Å²	46	43.6 Å²	43.6	32%	0.322	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	6.3	175.6	65.3	0	0	0	0	113.5	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.46Å; D65-S68 PolarHBondContact OD1-N 3.43Å; D65-S68 WeakPolarHBondContact OD2-CB 3.21Å; D65-S68 PolarHBondContact OD2-OG 2.02Å; S68-T70 PolarHBondContact O-N 3.24Å; S68-T70 PolarHBondContact O-OG1 2.97Å
69	N	96.4	Very high	96.1	Very high	35 Å²	35	43.2 Å²	43.2	19%	0.187	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	38.9	179.8	-148.9	42.9	0	0	0	112.9	A16 F19 I21 D65	A16-N69 VanDerWaalsContact CB-ND2 3.31Å; A16-N69 WeakPolarHBondContact CB-ND2 3.24Å; A16-N69 PolarHBondContact N-O 2.7Å; A16-N69 PolarHBondContact O-ND2 3.07Å; F19-N69 PolarHBondContact O-ND2 2.8Å; I21-N69 WeakPolarHBondContact CB-OD1 3.23Å; I21-N69 VanDerWaalsContact CG2-OD1 3.29Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.33Å; I21-N69 PolarHBondContact N-OD1 2.88Å; D65-N69 PolarHBondContact O-N 3.01Å
70	T	97.6	Very high	96.1	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.7	-168.5	-61.2	0	0	0	0	112.2	C14 T15 A64 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.59Å; C14-T70 WeakPolarHBondContact O-CA 3.24Å; T15-T70 WeakPolarHBondContact CB-OG1 3.35Å; T15-T70 WeakPolarHBondContact CG2-OG1 3.41Å; T15-T70 PolarHBondContact OG1-OG1 3.39Å; A64-T70 CarbonylContact C-O 3.54Å; A64-T70 WeakPolarHBondContact CA-O 3.48Å; D65-T70 PolarHBondContact N-O 3.17Å; D65-T70 PolarHBondContact O-N 2.81Å; S68-T70 PolarHBondContact O-N 3.24Å; S68-T70 PolarHBondContact O-OG1 2.97Å; T70-Y72 HydrophobicContact CG2-CD1 4.15Å; T70-Y72 HydrophobicContact CG2-CE1 3.52Å; T70-Y72 HydrophobicContact CG2-CE2 3.93Å
71	A	97.5	Very high	95.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	151.2	168.2	0	0	0	0	0	110.5	S13 C14 I21 M26 T63	S13-A71 CarbonylContact C-O 3.59Å; S13-A71 WeakPolarHBondContact CA-O 3.41Å; C14-A71 PolarHBondContact N-O 2.93Å; C14-A71 PolarHBondContact O-N 2.93Å; I21-A71 HydrophobicContact CD1-CB 3.96Å; M26-A71 HydrophobicContact CB-CB 3.96Å; M26-A71 HydrophobicContact CG-CB 4.19Å; T63-A71 CarbonylContact O-C 3.51Å
72	Y	98.1	Very high	95.6	Very high	48 Å²	48	45.5 Å²	45.5	19%	0.188	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145.4	-179.3	-56.1	-81.1	0	0	0	111.6	K11 L12 I62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CD1 3.45Å; K11-Y72 VanDerWaalsContact CE-CG 3.42Å; K11-Y72 HydrophobicContact CG-CD1 4.42Å; L12-Y72 CarbonylContact O-C 3.5Å; L12-Y72 WeakPolarHBondContact O-CA 3.45Å; I62-Y72 WeakPolarHBondContact CA-O 3.2Å; T63-Y72 PolarHBondContact N-O 2.91Å; T63-Y72 PolarHBondContact O-N 2.81Å; D65-Y72 HydrophobicContact CB-CE2 3.96Å; T70-Y72 HydrophobicContact CG2-CD1 4.15Å; T70-Y72 HydrophobicContact CG2-CE1 3.52Å; T70-Y72 HydrophobicContact CG2-CE2 3.93Å
73	L	98.1	Very high	95.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	114.7	169	171.2	67.5	0	0	0	108.3	K11 L12 W28 I40 A60 I62 L75 Y86	K11-L73 WeakPolarHBondContact CA-O 3.07Å; L12-L73 HydrophobicContact CB-CB 4.44Å; L12-L73 HydrophobicContact CD1-CD2 4.36Å; L12-L73 PolarHBondContact N-O 3.25Å; L12-L73 PolarHBondContact O-N 2.85Å; W28-L73 HydrophobicContact CB-CD2 4.15Å; W28-L73 HydrophobicContact CD2-CB 3.48Å; W28-L73 VanDerWaalsContact CD2-CB 3.48Å; W28-L73 HydrophobicContact CD2-CD2 3.9Å; W28-L73 HydrophobicContact CD2-CG 4.25Å; W28-L73 VanDerWaalsContact CE2-CB 3.48Å; W28-L73 HydrophobicContact CE3-CB 3.78Å; W28-L73 HydrophobicContact CE3-CD2 3.7Å; W28-L73 HydrophobicContact CE3-CG 4.39Å; W28-L73 HydrophobicContact CG-CB 3.95Å; W28-L73 HydrophobicContact CG-CD2 4.11Å; W28-L73 HydrophobicContact CG-CG 4.42Å; W28-L73 HydrophobicContact CH2-CB 4.04Å; W28-L73 HydrophobicContact CZ2-CB 3.77Å; W28-L73 HydrophobicContact CZ3-CB 4.04Å; W28-L73 HydrophobicContact CZ3-CD2 4.36Å; I40-L73 HydrophobicContact CD1-CD2 3.69Å; I40-L73 HydrophobicContact CG2-CD1 4.17Å; A60-L73 HydrophobicContact CB-CD1 3.85Å; I62-L73 HydrophobicContact CG1-CD1 3.9Å; L73-L75 HydrophobicContact CD1-CD2 4Å; L73-L75 HydrophobicContact CD1-CG 4.49Å; L73-L75 HydrophobicContact CD2-CD1 4.36Å; L73-L75 HydrophobicContact CD2-CD2 4.21Å; L73-L75 HydrophobicContact CD2-CG 4.28Å; L73-L75 HydrophobicContact CG-CD2 4.11Å; L73-L75 HydrophobicContact CG-CG 4.12Å; L73-Y86 HydrophobicContact CD2-CD1 3.97Å
74	Q	97.4	Very high	95.4	Very high	66 Å²	66	45 Å²	45	31%	0.308	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	126.2	169.5	-173.9	80.1	51.7	0	0	108.6	V10 K11 A60 T61	V10-Q74 VanDerWaalsContact C-NE2 3.3Å; V10-Q74 CarbonylContact O-C 3.53Å; V10-Q74 WeakPolarHBondContact O-CA 3.31Å; V10-Q74 PolarHBondContact O-NE2 3.19Å; K11-Q74 VanDerWaalsContact CB-OE1 3.31Å; A60-Q74 CarbonylContact C-O 3.58Å; A60-Q74 WeakPolarHBondContact CA-O 2.99Å; T61-Q74 PolarHBondContact N-O 3.16Å; T61-Q74 PolarHBondContact O-N 2.83Å
75	L	95.8	Very high	95.3	Very high	8 Å²	8	45 Å²	45	4%	0.042	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.8	168.9	-56.2	167.7	0	0	0	108.1	S9 V10 A60 L73 L78 Y86 L107	S9-L75 CarbonylContact C-O 3.36Å; S9-L75 WeakPolarHBondContact CA-O 3.32Å; S9-L75 WeakPolarHBondContact CB-O 3.48Å; V10-L75 HydrophobicContact CG1-CB 3.95Å; V10-L75 HydrophobicContact CG1-CD1 4.16Å; V10-L75 HydrophobicContact CG1-CG 4.39Å; V10-L75 PolarHBondContact N-O 2.92Å; V10-L75 PolarHBondContact O-N 2.95Å; A60-L75 HydrophobicContact CB-CD2 3.97Å; L73-L75 HydrophobicContact CD1-CD2 4Å; L73-L75 HydrophobicContact CD1-CG 4.49Å; L73-L75 HydrophobicContact CD2-CD1 4.36Å; L73-L75 HydrophobicContact CD2-CD2 4.21Å; L73-L75 HydrophobicContact CD2-CG 4.28Å; L73-L75 HydrophobicContact CG-CD2 4.11Å; L73-L75 HydrophobicContact CG-CG 4.12Å; L75-L78 HydrophobicContact CB-CD2 3.75Å; L75-L78 HydrophobicContact CB-CG 4.49Å; L75-L78 HydrophobicContact CD1-CD2 4.13Å; L75-Y86 HydrophobicContact CD1-CD1 4.18Å; L75-Y86 HydrophobicContact CD1-CE1 3.52Å; L75-Y86 HydrophobicContact CD1-CE2 4.5Å; L75-L107 HydrophobicContact CD1-CD2 4.25Å
76	S	93.1	Very high	95.3	Very high	51 Å²	51	42.4 Å²	42.4	36%	0.357	26%	0.255	S	S	.	.			trans	-121.3	158.5	179.4	60.3	0	0	0	0	111.1	S9 E59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.07Å; E59-S76 PolarHBondContact O-N 2.85Å; S76-L78 VanDerWaalsContact C-N 3.28Å; S76-L78 PolarHBondContact O-N 2.99Å
77	S	92.8	Very high	95.3	Very high	87 Å²	87	42.1 Å²	42.1	61%	0.608	25%	0.249	S	C	*	.	S	Bend	trans	54.5	42.1	174.6	-56.5	0	0	0	0	113.7	A8	A8-S77 PolarHBondContact O-N 3.4Å
78	L	93.7	Very high	95.3	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	22%	0.217	C	C	.	.			trans	-57.5	141	-171.8	-71.9	170.4	0	0	0	113.1	V4 P6 G7 A8 V10 L75 S76 D82 L107 V109	V4-L78 HydrophobicContact CG2-CD1 3.57Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 3.36Å; G7-L78 PolarHBondContact N-O 2.85Å; A8-L78 WeakPolarHBondContact O-CB 3.44Å; A8-L78 WeakPolarHBondContact O-CG 3.31Å; A8-L78 PolarHBondContact O-N 3.12Å; V10-L78 HydrophobicContact CB-CD1 4.1Å; V10-L78 HydrophobicContact CG1-CD1 3.76Å; V10-L78 HydrophobicContact CG1-CD2 4.49Å; L75-L78 HydrophobicContact CB-CD2 3.75Å; L75-L78 HydrophobicContact CB-CG 4.49Å; L75-L78 HydrophobicContact CD1-CD2 4.13Å; S76-L78 VanDerWaalsContact C-N 3.28Å; S76-L78 PolarHBondContact O-N 2.99Å; L78-D82 HydrophobicContact CD2-CB 3.58Å; L78-L107 HydrophobicContact CD1-CD2 4.11Å; L78-L107 HydrophobicContact CD2-CD2 4.04Å; L78-V109 HydrophobicContact CB-CG1 4.2Å; L78-V109 HydrophobicContact CB-CG2 4.07Å; L78-V109 HydrophobicContact CD1-CG2 4.32Å
79	T	93.5	Very high	95.1	Very high	64 Å²	64	35.5 Å²	35.5	39%	0.393	20%	0.202	S	C	.	.			trans	-116.2	170.3	176.2	68.3	0	0	0	0	111	E81 D82 V109	T79-E81 PolarHBondContact O-N 3.49Å; T79-E81 VanDerWaalsContact O-N 3.16Å; T79-E81 PolarHBondContact OG1-N 2.83Å; T79-D82 PolarHBondContact N-OD2 2.79Å; T79-D82 WeakPolarHBondContact O-CB 3.28Å; T79-D82 PolarHBondContact O-N 3.43Å; T79-D82 PolarHBondContact OG1-OD2 2.96Å; T79-V109 VanDerWaalsContact O-CB 3.24Å; T79-V109 WeakPolarHBondContact O-CB 3.38Å; T79-V109 WeakPolarHBondContact O-CG1 3.49Å; T79-V109 WeakPolarHBondContact O-CG2 3.34Å
80	S	91.9	Very high	94.9	Very high	87 Å²	87	35.2 Å²	35.2	61%	0.608	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-57.2	-28.3	173.9	50.2	0	0	0	0	112.6	D82 T83	S80-D82 PolarHBondContact O-N 3.01Å; S80-T83 WeakPolarHBondContact O-CB 3.14Å; S80-T83 PolarHBondContact O-N 2.87Å; S80-T83 PolarHBondContact O-OG1 3.45Å; S80-T83 VanDerWaalsContact O-OG1 3.12Å
81	E	90.1	Very high	94.1	Very high	123 Å²	123	37.6 Å²	37.6	58%	0.575	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-69	-11.5	175.8	-58.8	-168	-170.2	0	0	113.9	K30 R32 T79 T83	K30-E81 WeakPolarHBondContact CE-O 3.14Å; K30-E81 PolarHBondContact NZ-O 3.28Å; R32-E81 IonicContact NH1-OE2 2.85Å; T79-E81 PolarHBondContact O-N 3.49Å; T79-E81 VanDerWaalsContact O-N 3.16Å; T79-E81 PolarHBondContact OG1-N 2.83Å; E81-T83 VanDerWaalsContact C-N 3.3Å
82	D	92.6	Very high	92.8	Very high	20 Å²	20	44.2 Å²	44.2	11%	0.107	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-87.2	-2.4	175.1	-59.9	-51.8	0	0	0	114	K30 L78 T79 S80 A84 Y86 V109	K30-D82 IonicContact NZ-OD1 3.45Å; K30-D82 PolarHBondContact NZ-OD1 2.86Å; L78-D82 HydrophobicContact CD2-CB 3.58Å; T79-D82 PolarHBondContact N-OD2 2.79Å; T79-D82 WeakPolarHBondContact O-CB 3.28Å; T79-D82 PolarHBondContact O-N 3.43Å; T79-D82 PolarHBondContact OG1-OD2 2.96Å; S80-D82 PolarHBondContact O-N 3.01Å; D82-A84 PolarHBondContact O-N 2.76Å; D82-A84 VanDerWaalsContact O-N 3.14Å; D82-Y86 WeakPolarHBondContact O-CE2 3.35Å; D82-Y86 PolarHBondContact O-OH 3.31Å; D82-V109 HydrophobicContact CB-CG2 4.17Å
83	T	94.8	Very high	91	Very high	50 Å²	50	45.4 Å²	45.4	31%	0.307	24%	0.243	S	C	.	.			trans	-64.6	111.2	168.5	-60.9	0	0	0	0	110.2	S80 E81 L107 T108 V109	S80-T83 WeakPolarHBondContact O-CB 3.14Å; S80-T83 PolarHBondContact O-N 2.87Å; S80-T83 PolarHBondContact O-OG1 3.45Å; S80-T83 VanDerWaalsContact O-OG1 3.12Å; E81-T83 VanDerWaalsContact C-N 3.3Å; T83-L107 VanDerWaalsContact CA-O 3.27Å; T83-L107 WeakPolarHBondContact CA-O 3.4Å; T83-T108 HydrophobicContact CG2-CG2 4.39Å; T83-V109 PolarHBondContact OG1-N 3.31Å
84	A	95.7	Very high	88.8	Confident	4 Å²	4	54.6 Å²	54.6	3%	0.033	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	171.7	-173.5	0	0	0	0	0	110.8	K30 Q31 R32 D82 Y86 L107	K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.53Å; Q31-A84 WeakPolarHBondContact O-CA 3.44Å; Q31-A84 VanDerWaalsContact O-CB 3.24Å; Q31-A84 WeakPolarHBondContact O-CB 2.85Å; R32-A84 HydrophobicContact CG-CB 4.41Å; D82-A84 PolarHBondContact O-N 2.76Å; D82-A84 VanDerWaalsContact O-N 3.14Å; A84-Y86 HydrophobicContact CB-CD2 4.35Å; A84-Y86 HydrophobicContact CB-CE2 3.76Å; A84-L107 PolarHBondContact N-O 2.99Å; A84-L107 PolarHBondContact O-N 2.81Å
85	V	96.5	Very high	86.7	Confident	32 Å²	32	58.9 Å²	58.9	19%	0.194	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128	162.7	-169.5	0	0	0	0	108.7	Q31 Y87	Q31-V85 PolarHBondContact N-O 3.34Å; Q31-V85 PolarHBondContact O-N 2.87Å; V85-Y87 HydrophobicContact CB-CE2 3.72Å; V85-Y87 HydrophobicContact CG1-CD2 4.22Å; V85-Y87 HydrophobicContact CG1-CE1 4.03Å; V85-Y87 HydrophobicContact CG1-CE2 3.5Å; V85-Y87 VanDerWaalsContact CG1-CE2 3.5Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.03Å
86	Y	96.9	Very high	84.7	Confident	2 Å²	2	63 Å²	63	1%	0.008	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.6	179.1	-68.7	-97.7	0	0	0	109.5	L12 V29 K30 I40 L73 L75 D82 A84 G104 T105 L107	L12-Y86 VanDerWaalsContact CD1-CB 3.49Å; L12-Y86 HydrophobicContact CD1-CD1 4.18Å; L12-Y86 HydrophobicContact CD1-CD2 4.13Å; L12-Y86 HydrophobicContact CD1-CG 3.67Å; V29-Y86 CarbonylContact O-C 3.54Å; V29-Y86 WeakPolarHBondContact O-CA 3.46Å; K30-Y86 HydrophobicContact CB-CD1 4.28Å; K30-Y86 HydrophobicContact CB-CE1 4.02Å; K30-Y86 HydrophobicContact CD-CE1 3.97Å; K30-Y86 WeakPolarHBondContact CE-OH 3.43Å; K30-Y86 HydrophobicContact CG-CD1 4.45Å; K30-Y86 HydrophobicContact CG-CE1 3.86Å; I40-Y86 HydrophobicContact CD1-CD1 3.78Å; I40-Y86 HydrophobicContact CD1-CE1 3.89Å; L73-Y86 HydrophobicContact CD2-CD1 3.97Å; L75-Y86 HydrophobicContact CD1-CD1 4.18Å; L75-Y86 HydrophobicContact CD1-CE1 3.52Å; L75-Y86 HydrophobicContact CD1-CE2 4.5Å; D82-Y86 WeakPolarHBondContact O-CE2 3.35Å; D82-Y86 PolarHBondContact O-OH 3.31Å; A84-Y86 HydrophobicContact CB-CD2 4.35Å; A84-Y86 HydrophobicContact CB-CE2 3.76Å; Y86-G104 CarbonylContact O-C 3.52Å; Y86-G104 VanDerWaalsContact O-CA 3.27Å; Y86-G104 WeakPolarHBondContact O-CA 3.29Å; Y86-T105 PolarHBondContact N-O 2.64Å; Y86-T105 PolarHBondContact O-N 3.06Å; Y86-L107 HydrophobicContact CD2-CB 3.86Å; Y86-L107 HydrophobicContact CD2-CD2 4.38Å; Y86-L107 HydrophobicContact CE2-CB 3.7Å; Y86-L107 HydrophobicContact CE2-CD2 3.72Å; Y86-L107 HydrophobicContact CE2-CG 4.33Å
87	Y	96.3	Very high	83.1	Confident	45 Å²	45	70.5 Å²	70.5	18%	0.176	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	144.1	179.8	-61.9	-87.2	0	0	0	110.1	W28 V29 Q31 V85 W101 G102 G104	W28-Y87 WeakPolarHBondContact CA-O 3.22Å; V29-Y87 PolarHBondContact N-O 2.82Å; V29-Y87 PolarHBondContact O-N 2.79Å; Q31-Y87 HydrophobicContact CB-CD2 4.27Å; Q31-Y87 HydrophobicContact CB-CE2 3.75Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.29Å; Q31-Y87 PolarHBondContact OE1-OH 2.75Å; V85-Y87 HydrophobicContact CB-CE2 3.72Å; V85-Y87 HydrophobicContact CG1-CD2 4.22Å; V85-Y87 HydrophobicContact CG1-CE1 4.03Å; V85-Y87 HydrophobicContact CG1-CE2 3.5Å; V85-Y87 VanDerWaalsContact CG1-CE2 3.5Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.03Å; Y87-W101 HydrophobicContact CD1-CE3 4.27Å; Y87-W101 AromaticContact CG-CE3 3.96Å; Y87-W101 HydrophobicContact CG-CE3 3.96Å; Y87-W101 HydrophobicContact CG-CZ3 4.18Å; Y87-G102 WeakPolarHBondContact CD1-O 3.45Å; Y87-G104 VanDerWaalsContact CD1-CA 3.41Å; Y87-G104 VanDerWaalsContact CE1-CA 3.49Å
88	C	95.4	Very high	81.9	Confident	14 Å²	14	69.6 Å²	69.6	10%	0.095	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	146.3	157	59.4	0	0	0	0	109.2	C14 H27 W28 G102	C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.35Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.84Å; H27-C88 CarbonylContact O-C 3.57Å; H27-C88 WeakPolarHBondContact O-CA 3.4Å; W28-C88 HydrophobicContact CD2-CB 4.42Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.33Å; W28-C88 HydrophobicContact CZ2-CB 4.43Å; W28-C88 HydrophobicContact CZ3-CB 4.25Å; C88-G102 PolarHBondContact O-N 2.86Å
89	A	93.9	Very high	80.8	Confident	2 Å²	2	73 Å²	73	2%	0.017	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	151.5	174.4	0	0	0	0	0	110.4	H27 F98 Y100 W101	H27-A89 PolarHBondContact N-O 3.21Å; H27-A89 PolarHBondContact O-N 2.82Å; A89-F98 HydrophobicContact CB-CB 4.28Å; A89-F98 HydrophobicContact CB-CD1 3.56Å; A89-F98 HydrophobicContact CB-CE1 4.11Å; A89-F98 HydrophobicContact CB-CG 4.03Å; A89-Y100 CarbonylContact C-O 3.37Å; A89-Y100 VanDerWaalsContact CA-O 3.22Å; A89-Y100 WeakPolarHBondContact CA-O 3.5Å; A89-W101 HydrophobicContact CB-CD2 3.87Å; A89-W101 HydrophobicContact CB-CE3 4.16Å; A89-W101 HydrophobicContact CB-CG 4.22Å; A89-W101 HydrophobicContact CB-CZ2 4.31Å; A89-W101 HydrophobicContact CB-CZ3 4.5Å
90	R	90.5	Very high	80.3	Confident	28 Å²	28	76.8 Å²	76.8	11%	0.106	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140.2	177.2	-172.3	-172.5	78.2	-178.6	5.4	110.3	F19 Y24 M26 Y100	F19-R90 HydrophobicContact CE2-CG 4.08Å; F19-R90 HydrophobicContact CZ-CB 4.42Å; F19-R90 VanDerWaalsContact CZ-CD 3.46Å; F19-R90 HydrophobicContact CZ-CG 4.22Å; Y24-R90 VanDerWaalsContact CB-CG 3.42Å; Y24-R90 HydrophobicContact CD1-CG 3.67Å; Y24-R90 HydrophobicContact CD2-CG 4.25Å; Y24-R90 VanDerWaalsContact CG-CD 3.41Å; Y24-R90 HydrophobicContact CG-CG 3.52Å; M26-R90 HydrophobicContact SD-CB 4.34Å; M26-R90 HydrophobicContact SD-CG 4.3Å; R90-Y100 PolarHBondContact N-O 2.8Å
91	Y	82.4	Confident	80.2	Confident	56 Å²	56	77.3 Å²	77.3	22%	0.22	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	143.6	175.8	178.5	-93.2	0	0	0	111.5	Y25 N96 F98	Y25-Y91 WeakPolarHBondContact CB-O 3.25Å; Y25-Y91 HydrophobicContact CD2-CD1 4.36Å; Y25-Y91 PolarHBondContact N-O 3.34Å; Y25-Y91 PolarHBondContact O-N 2.83Å; Y91-N96 WeakPolarHBondContact CD2-O 3.31Å; Y91-N96 WeakPolarHBondContact CE2-O 3.27Å; Y91-F98 HydrophobicContact CD2-CD1 4.5Å
92	Y	69.8	Low	80.3	Confident	140 Å²	140	72.7 Å²	72.7	55%	0.549	33%	0.334	S	S	.	.			trans	-117.8	129.1	173.5	-161.6	-99.6	0	0	0	108.9	D23 Y24 Y94	D23-Y92 WeakPolarHBondContact O-CD2 3.11Å; D23-Y92 WeakPolarHBondContact O-CE2 3.2Å; Y24-Y92 AromaticContact CD1-CD2 3.88Å; Y24-Y92 HydrophobicContact CD1-CD2 3.88Å; Y24-Y92 HydrophobicContact CD1-CG 4.38Å; Y24-Y92 HydrophobicContact CE1-CD2 4.1Å; Y24-Y92 HydrophobicContact CE1-CG 4.45Å; Y92-Y94 PolarHBondContact O-N 3.15Å
93	D	60.7	Low	80.3	Confident	73 Å²	73	80.6 Å²	80.6	39%	0.39	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	117	-178.1	-129.4	-8.1	0	0	0	110.2	Y25	Y25-D93 HydrophobicContact CE2-CB 4.04Å
94	Y	51.8	Low	80.2	Confident	192 Å²	192	79.4 Å²	79.4	75%	0.753	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	154.2	-15.7	132.6	-94.4	-85.2	0	0	0	114.5	Y92	Y92-Y94 PolarHBondContact O-N 3.15Å
95	D	51.6	Low	80.2	Confident	157 Å²	157	81.8 Å²	81.8	84%	0.84	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-160.4	7	-179.5	-89.6	-44.1	0	0	0	117.1
96	N	55.6	Low	80.2	Confident	94 Å²	94	83.1 Å²	83.1	50%	0.503	39%	0.39	S	S	.	.			trans	-122.9	155	-174.9	-69.2	-50.1	0	0	0	113.4	Y91	Y91-N96 WeakPolarHBondContact CD2-O 3.31Å; Y91-N96 WeakPolarHBondContact CE2-O 3.27Å
97	Y	59.5	Low	80.1	Confident	208 Å²	208	83 Å²	83	82%	0.816	39%	0.39	S	S	*	.			trans	-76.1	-179.5	174.3	-69.1	-86.4	0	0	0	110.8	D99	Y97-D99 VanDerWaalsContact C-N 3.32Å; Y97-D99 PolarHBondContact O-N 3.23Å; Y97-D99 VanDerWaalsContact O-OD1 3.09Å
98	F	65.9	Low	80.1	Confident	68 Å²	68	83.2 Å²	83.2	30%	0.298	40%	0.396	S	S	.	.			trans	-62.1	94	168.4	-74.6	-65.3	0	0	0	110.2	H27 A89 Y91 Y100 W101	H27-F98 HydrophobicContact CB-CE1 3.6Å; H27-F98 HydrophobicContact CB-CZ 4.07Å; H27-F98 AromaticContact CD2-CE1 3.71Å; H27-F98 AromaticContact CE1-CE1 3.96Å; H27-F98 AromaticContact CG-CE1 3.37Å; H27-F98 AromaticContact CG-CZ 3.85Å; H27-F98 AromaticContact ND1-CE1 3.53Å; H27-F98 AromaticContact ND1-CZ 3.59Å; A89-F98 HydrophobicContact CB-CB 4.28Å; A89-F98 HydrophobicContact CB-CD1 3.56Å; A89-F98 HydrophobicContact CB-CE1 4.11Å; A89-F98 HydrophobicContact CB-CG 4.03Å; Y91-F98 HydrophobicContact CD2-CD1 4.5Å; F98-Y100 VanDerWaalsContact C-N 3.29Å; F98-Y100 PolarHBondContact O-N 2.79Å; F98-W101 HydrophobicContact CB-CZ2 3.9Å; F98-W101 HydrophobicContact CD2-CH2 4.45Å; F98-W101 AromaticContact CD2-CZ2 3.64Å; F98-W101 HydrophobicContact CD2-CZ2 3.64Å; F98-W101 HydrophobicContact CE2-CZ2 4.39Å; F98-W101 AromaticContact CG-CZ2 3.88Å; F98-W101 HydrophobicContact CG-CZ2 3.88Å; F98-W101 PolarHBondContact O-NE1 3.19Å
99	D	71.9	Confident	80	Confident	73 Å²	73	82.8 Å²	82.8	39%	0.39	39%	0.393	S	S	.	.			trans	-68.8	-28.8	-170.3	-62.2	-35.2	0	0	0	112.9	Y97	Y97-D99 VanDerWaalsContact C-N 3.32Å; Y97-D99 PolarHBondContact O-N 3.23Å; Y97-D99 VanDerWaalsContact O-OD1 3.09Å
100	Y	82.1	Confident	79.9	Confident	144 Å²	144	85.3 Å²	85.3	57%	0.565	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.3	131.2	-177.5	-68.9	-88.9	0	0	0	111.7	A89 R90 F98	A89-Y100 CarbonylContact C-O 3.37Å; A89-Y100 VanDerWaalsContact CA-O 3.22Å; A89-Y100 WeakPolarHBondContact CA-O 3.5Å; R90-Y100 PolarHBondContact N-O 2.8Å; F98-Y100 VanDerWaalsContact C-N 3.29Å; F98-Y100 PolarHBondContact O-N 2.79Å
101	W	91.1	Very high	79.5	Confident	99 Å²	99	91.3 Å²	91.3	38%	0.375	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.2	175.2	-69	70.4	0	0	0	109.9	V29 L37 Y87 A89 F98	V29-W101 HydrophobicContact CB-CH2 4.13Å; V29-W101 HydrophobicContact CB-CZ3 3.86Å; V29-W101 HydrophobicContact CG1-CH2 4.06Å; V29-W101 HydrophobicContact CG1-CZ3 4.02Å; V29-W101 HydrophobicContact CG2-CH2 3.8Å; V29-W101 HydrophobicContact CG2-CZ3 3.93Å; L37-W101 HydrophobicContact CD1-CH2 3.97Å; L37-W101 HydrophobicContact CD1-CZ3 4.49Å; Y87-W101 HydrophobicContact CD1-CE3 4.27Å; Y87-W101 AromaticContact CG-CE3 3.96Å; Y87-W101 HydrophobicContact CG-CE3 3.96Å; Y87-W101 HydrophobicContact CG-CZ3 4.18Å; A89-W101 HydrophobicContact CB-CD2 3.87Å; A89-W101 HydrophobicContact CB-CE3 4.16Å; A89-W101 HydrophobicContact CB-CG 4.22Å; A89-W101 HydrophobicContact CB-CZ2 4.31Å; A89-W101 HydrophobicContact CB-CZ3 4.5Å; F98-W101 HydrophobicContact CB-CZ2 3.9Å; F98-W101 HydrophobicContact CD2-CH2 4.45Å; F98-W101 AromaticContact CD2-CZ2 3.64Å; F98-W101 HydrophobicContact CD2-CZ2 3.64Å; F98-W101 HydrophobicContact CE2-CZ2 4.39Å; F98-W101 AromaticContact CG-CZ2 3.88Å; F98-W101 HydrophobicContact CG-CZ2 3.88Å; F98-W101 PolarHBondContact O-NE1 3.19Å
102	G	91.2	Very high	79.4	Confident	26 Å²	26	93.1 Å²	93.1	27%	0.268	47%	0.468	S	S	.	.			trans	-64	162.9	165	0	0	0	0	0	111	Y87 C88 G104	Y87-G102 WeakPolarHBondContact CD1-O 3.45Å; C88-G102 PolarHBondContact O-N 2.86Å; G102-G104 PolarHBondContact O-N 2.92Å
103	Q	92.6	Very high	79.9	Confident	185 Å²	185	90.6 Å²	90.6	86%	0.864	46%	0.464	S	S	*	.			trans	-63.9	-14.5	178.9	-64.6	-61.7	-50.6	0	0	113.6
104	G	93.7	Very high	80.9	Confident	26 Å²	26	91.6 Å²	91.6	27%	0.268	47%	0.468	S	S	.	.			trans	83.9	147.3	-176.8	0	0	0	0	0	112.4	Y86 Y87 G102	Y86-G104 CarbonylContact O-C 3.52Å; Y86-G104 VanDerWaalsContact O-CA 3.27Å; Y86-G104 WeakPolarHBondContact O-CA 3.29Å; Y87-G104 VanDerWaalsContact CD1-CA 3.41Å; Y87-G104 VanDerWaalsContact CE1-CA 3.49Å; G102-G104 PolarHBondContact O-N 2.92Å
105	T	95.6	Very high	82.6	Confident	53 Å²	53	85.6 Å²	85.6	33%	0.325	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	117.2	174.8	-64.9	0	0	0	0	109	L12 Y86 L107	L12-T105 HydrophobicContact CD2-CG2 4.04Å; Y86-T105 PolarHBondContact N-O 2.64Å; Y86-T105 PolarHBondContact O-N 3.06Å; T105-L107 PolarHBondContact O-N 2.9Å
106	T	95.9	Very high	84.6	Confident	61 Å²	61	81.2 Å²	81.2	37%	0.374	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	122.1	171.2	-47.2	0	0	0	0	109.8	A1 E2	A1-T106 CarbonylContact C-O 3.54Å; A1-T106 WeakPolarHBondContact CA-O 3.18Å; E2-T106 PolarHBondContact N-O 3.4Å
107	L	94.9	Very high	86.5	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.3	168.9	178.5	68	0	0	0	107.8	E2 V4 V10 L75 L78 T83 A84 Y86 T105 V109	E2-L107 HydrophobicContact CB-CD1 3.98Å; E2-L107 HydrophobicContact CG-CD1 4.35Å; E2-L107 WeakPolarHBondContact O-CA 3.45Å; V4-L107 HydrophobicContact CG1-CD1 4.27Å; V4-L107 HydrophobicContact CG2-CD1 3.9Å; V10-L107 HydrophobicContact CB-CD1 4.49Å; V10-L107 HydrophobicContact CG1-CD1 4.33Å; V10-L107 HydrophobicContact CG1-CD2 3.9Å; V10-L107 HydrophobicContact CG2-CD1 4.29Å; L75-L107 HydrophobicContact CD1-CD2 4.25Å; L78-L107 HydrophobicContact CD1-CD2 4.11Å; L78-L107 HydrophobicContact CD2-CD2 4.04Å; T83-L107 VanDerWaalsContact CA-O 3.27Å; T83-L107 WeakPolarHBondContact CA-O 3.4Å; A84-L107 PolarHBondContact N-O 2.99Å; A84-L107 PolarHBondContact O-N 2.81Å; Y86-L107 HydrophobicContact CD2-CB 3.86Å; Y86-L107 HydrophobicContact CD2-CD2 4.38Å; Y86-L107 HydrophobicContact CE2-CB 3.7Å; Y86-L107 HydrophobicContact CE2-CD2 3.72Å; Y86-L107 HydrophobicContact CE2-CG 4.33Å; T105-L107 PolarHBondContact O-N 2.9Å; L107-V109 HydrophobicContact CD2-CG2 4.49Å; L107-V109 HydrophobicContact CG-CG2 4.33Å
108	T	95.4	Very high	88.4	Confident	49 Å²	49	71.2 Å²	71.2	30%	0.301	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.6	175.9	-57.7	0	0	0	0	109	E2 L3 V4 T83	E2-T108 PolarHBondContact O-N 3.46Å; L3-T108 WeakPolarHBondContact CA-O 3.33Å; L3-T108 HydrophobicContact CD1-CG2 3.68Å; V4-T108 PolarHBondContact N-O 2.63Å; T83-T108 HydrophobicContact CG2-CG2 4.39Å
109	V	93.4	Very high	90.2	Very high	5 Å²	5	71.5 Å²	71.5	3%	0.03	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	104.5	178.2	-170.4	0	0	0	0	108.8	V4 P6 L78 T79 D82 T83 L107	V4-V109 HydrophobicContact CG2-CB 4.41Å; V4-V109 HydrophobicContact CG2-CG1 4.4Å; V4-V109 HydrophobicContact CG2-CG2 3.84Å; V4-V109 WeakPolarHBondContact O-CA 3.23Å; P6-V109 HydrophobicContact CB-CG1 4.41Å; P6-V109 HydrophobicContact CG-CG1 4.14Å; L78-V109 HydrophobicContact CB-CG1 4.2Å; L78-V109 HydrophobicContact CB-CG2 4.07Å; L78-V109 HydrophobicContact CD1-CG2 4.32Å; T79-V109 VanDerWaalsContact O-CB 3.24Å; T79-V109 WeakPolarHBondContact O-CB 3.38Å; T79-V109 WeakPolarHBondContact O-CG1 3.49Å; T79-V109 WeakPolarHBondContact O-CG2 3.34Å; D82-V109 HydrophobicContact CB-CG2 4.17Å; T83-V109 PolarHBondContact OG1-N 3.31Å; L107-V109 HydrophobicContact CD2-CG2 4.49Å; L107-V109 HydrophobicContact CG-CG2 4.33Å
110	S	91.6	Very high	91.7	Very high	55 Å²	55	71.3 Å²	71.3	39%	0.385	40%	0.402	S	S	.	.			trans	-147	152.8	-179.1	66	0	0	0	0	112	L3 V4	L3-S110 WeakPolarHBondContact CD1-OG 3.08Å; V4-S110 PolarHBondContact O-N 2.91Å
111	S	82.8	Confident	92.6	Very high	153 Å²	153	64.7 Å²	64.7	100%	1.07	39%	0.387	S	S	*	.			trans	-76.5	0	176.6	58.8	0	0	0	0	113.1

Retrieved 111 of 111 residues in 31.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).