X5J535_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J535, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 96 aa.

						>X5J535_MOUSE|X5J535
AELVKPGASVKLSCKYSGFNIKDTYMYWVKQRPEQGLEWIGRVDPANGYTKYDPKFQAKATTTADTSSNTAYLQLSSLTSEDTAVYYCANWFDSWG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	61.1	Low	80.8	Confident	156 Å²	156	98.8 Å²	98.8	100%	1.289	59%	0.594	S	S	*	*				0	132.4	0	0	0	0	0	0	107.7
2	E	68.8	Low	82.1	Confident	120 Å²	120	93.7 Å²	93.7	56%	0.561	56%	0.56	S	S	*	*			trans	-102.5	122.2	178.9	-167.3	170.7	171.3	0	0	108.7	V4 V10	E2-V4 HydrophobicContact CG-CG1 4.32Å; E2-V10 HydrophobicContact CG-CG2 4.37Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.31Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.4Å
3	L	73.5	Confident	83.1	Confident	176 Å²	176	93.2 Å²	93.2	92%	0.921	57%	0.565	S	S	*	*			trans	-101.7	110.4	177.8	-81	152.2	0	0	0	108
4	V	77	Confident	84	Confident	60 Å²	60	87.5 Å²	87.5	36%	0.364	53%	0.531	S	S	.	.			trans	-117.7	144.5	-176.2	-92.1	0	0	0	0	110.3	E2 A8 L78	E2-V4 HydrophobicContact CG-CG1 4.32Å; V4-A8 HydrophobicContact CB-CB 4.44Å; V4-L78 HydrophobicContact CB-CD1 4.11Å; V4-L78 HydrophobicContact CG2-CD1 3.47Å; V4-L78 VanDerWaalsContact CG2-CD1 3.47Å
5	K	79.5	Confident	84.6	Confident	175 Å²	175	92.4 Å²	92.4	76%	0.761	54%	0.542	S	S	*	.			trans	-69.6	146.5	176.6	-65.4	-179.2	-178.3	178.8	0	109.8	G7 A8	K5-G7 PolarHBondContact O-N 3.49Å; K5-A8 WeakPolarHBondContact O-CB 3.46Å; K5-A8 PolarHBondContact O-N 3.23Å
6	P	78.4	Confident	84.9	Confident	118 Å²	118	88.4 Å²	88.4	77%	0.766	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	139.6	170.3	-24.9	34.1	0	0	0	111.3	A8	P6-A8 PolarHBondContact O-N 3.29Å
7	G	81.5	Confident	85.1	Confident	54 Å²	54	89.5 Å²	89.5	56%	0.557	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-8.9	-175.4	0	0	0	0	0	115	K5 L78	K5-G7 PolarHBondContact O-N 3.49Å; G7-L78 PolarHBondContact N-O 3.36Å
8	A	88.3	Confident	85.1	Confident	33 Å²	33	89.4 Å²	89.4	27%	0.273	55%	0.55	S	S	.	.			trans	-71.9	167.2	172.7	0	0	0	0	0	111.4	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.44Å; K5-A8 WeakPolarHBondContact O-CB 3.46Å; K5-A8 PolarHBondContact O-N 3.23Å; P6-A8 PolarHBondContact O-N 3.29Å; A8-S77 PolarHBondContact O-N 2.79Å; A8-L78 WeakPolarHBondContact O-CG 3.49Å; A8-L78 PolarHBondContact O-N 3.04Å; A8-L78 VanDerWaalsContact O-N 3.11Å
9	S	92.1	Very high	85.1	Confident	65 Å²	65	88.9 Å²	88.9	46%	0.455	54%	0.539	S	S	.	.			trans	-108.7	147.2	169.4	-57.3	0	0	0	0	109.7	L75 S76	S9-L75 CarbonylContact C-O 3.56Å; S9-L75 WeakPolarHBondContact CA-O 3.09Å; S9-L75 WeakPolarHBondContact CB-O 3.3Å; S9-S76 WeakPolarHBondContact OG-CA 3.26Å
10	V	93.7	Very high	85.3	Confident	12 Å²	12	88 Å²	88	7%	0.073	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	148.3	174	65.2	0	0	0	0	109.8	E2 L12 Q74 L75 L78	E2-V10 HydrophobicContact CG-CG2 4.37Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.31Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.4Å; V10-L12 HydrophobicContact CG2-CD2 3.99Å; V10-L12 HydrophobicContact CG2-CG 4.47Å; V10-Q74 CarbonylContact O-C 3.37Å; V10-Q74 VanDerWaalsContact O-CA 3.31Å; V10-Q74 WeakPolarHBondContact O-CA 3.34Å; V10-L75 HydrophobicContact CG1-CB 3.92Å; V10-L75 HydrophobicContact CG1-CD1 4.21Å; V10-L75 HydrophobicContact CG1-CG 4.47Å; V10-L75 PolarHBondContact N-O 3.22Å; V10-L75 PolarHBondContact O-N 2.8Å; V10-L78 HydrophobicContact CB-CD1 4.02Å; V10-L78 HydrophobicContact CG1-CD1 3.73Å; V10-L78 HydrophobicContact CG1-CD2 4.25Å; V10-L78 HydrophobicContact CG1-CG 4.45Å
11	K	95.3	Very high	85.5	Confident	118 Å²	118	83.8 Å²	83.8	51%	0.513	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	107	171.8	-174.7	178.2	178.3	-179.1	0	109.6	Y72 L73	K11-Y72 HydrophobicContact CD-CD1 4.47Å; K11-Y72 VanDerWaalsContact CE-CD1 3.4Å; K11-Y72 VanDerWaalsContact CE-CG 3.5Å; K11-Y72 HydrophobicContact CG-CD1 4.46Å; K11-L73 CarbonylContact C-O 3.59Å; K11-L73 WeakPolarHBondContact CA-O 3.36Å
12	L	95.8	Very high	86.9	Confident	37 Å²	37	80.8 Å²	80.8	19%	0.194	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	148.4	173.8	-56.1	177.3	0	0	0	109.8	V10 W28 Y72 L73 Y86	V10-L12 HydrophobicContact CG2-CD2 3.99Å; V10-L12 HydrophobicContact CG2-CG 4.47Å; L12-W28 HydrophobicContact CB-CH2 4.2Å; L12-W28 HydrophobicContact CB-CZ3 4.16Å; L12-Y72 VanDerWaalsContact O-CA 3.26Å; L12-Y72 WeakPolarHBondContact O-CA 3.34Å; L12-L73 HydrophobicContact CB-CB 4.4Å; L12-L73 HydrophobicContact CD1-CD2 4.28Å; L12-L73 PolarHBondContact N-O 2.81Å; L12-L73 PolarHBondContact O-N 2.82Å; L12-Y86 HydrophobicContact CD1-CD1 4.12Å; L12-Y86 HydrophobicContact CD1-CD2 4.13Å; L12-Y86 HydrophobicContact CD1-CG 3.66Å
13	S	95.9	Very high	87.9	Confident	88 Å²	88	81.3 Å²	81.3	62%	0.615	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.9	176.2	69.1	0	0	0	0	110.6	A71	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å
14	C	94.7	Very high	88.6	Confident	13 Å²	13	74.1 Å²	74.1	9%	0.088	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	109.3	177.6	177.8	0	0	0	0	109.5	Y16 W28 T70 A71 C88	C14-Y16 HydrophobicContact CB-CE2 4.45Å; C14-Y16 WeakPolarHBondContact SG-CE2 3.39Å; C14-W28 HydrophobicContact CB-CH2 3.7Å; C14-W28 HydrophobicContact CB-CZ2 4.07Å; C14-T70 CarbonylContact O-C 3.43Å; C14-T70 WeakPolarHBondContact O-CA 3.44Å; C14-A71 PolarHBondContact N-O 3.04Å; C14-A71 PolarHBondContact O-N 3.01Å; C14-C88 HydrophobicContact CB-CB 3.48Å; C14-C88 VanDerWaalsContact CB-CB 3.48Å; C14-C88 WeakPolarHBondContact CB-SG 3.45Å; C14-C88 WeakPolarHBondContact SG-CB 3.46Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.28Å
15	K	94	Very high	89.2	Confident	161 Å²	161	74.8 Å²	74.8	70%	0.7	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	130.7	-178.5	-176.1	174.7	-177.4	178.8	0	110.3	T70	K15-T70 HydrophobicContact CB-CG2 4.43Å
16	Y	88.4	Confident	89.8	Confident	29 Å²	29	66.5 Å²	66.5	11%	0.114	39%	0.394	C	S	.	.			trans	-97.6	148.3	177.4	-77.1	-88.1	0	0	0	111.8	C14 F19 I21 M26 N69 A89 N90	C14-Y16 HydrophobicContact CB-CE2 4.45Å; C14-Y16 WeakPolarHBondContact SG-CE2 3.39Å; Y16-F19 AromaticContact CD1-CE1 3.73Å; Y16-F19 HydrophobicContact CD1-CE1 3.73Å; Y16-F19 AromaticContact CD1-CE2 3.86Å; Y16-F19 HydrophobicContact CD1-CE2 3.86Å; Y16-F19 AromaticContact CD1-CZ 3.11Å; Y16-F19 HydrophobicContact CD1-CZ 3.11Å; Y16-F19 HydrophobicContact CE1-CE1 4.45Å; Y16-F19 AromaticContact CE1-CZ 3.68Å; Y16-F19 HydrophobicContact CE1-CZ 3.68Å; Y16-F19 HydrophobicContact CG-CE2 4.2Å; Y16-F19 AromaticContact CG-CZ 3.87Å; Y16-F19 HydrophobicContact CG-CZ 3.87Å; Y16-I21 HydrophobicContact CD2-CD1 3.83Å; Y16-I21 HydrophobicContact CD2-CG1 4.15Å; Y16-I21 HydrophobicContact CE2-CD1 4.44Å; Y16-M26 HydrophobicContact CD2-CE 3.7Å; Y16-M26 HydrophobicContact CE1-CE 4.1Å; Y16-M26 HydrophobicContact CE2-CE 2.96Å; Y16-M26 HydrophobicContact CE2-SD 3.34Å; Y16-M26 WeakPolarHBondContact CE2-SD 3.43Å; Y16-M26 VanDerWaalsContact OH-CE 3.24Å; Y16-M26 WeakPolarHBondContact OH-CE 3.43Å; Y16-M26 PolarHBondContact OH-SD 2.92Å; Y16-N69 WeakPolarHBondContact CB-ND2 3.35Å; Y16-N69 PolarHBondContact N-O 3.23Å; Y16-N69 PolarHBondContact O-ND2 2.78Å; Y16-A89 PolarHBondContact OH-N 2.96Å; Y16-N90 HydrophobicContact CE1-CB 4.45Å
17	S	88.8	Confident	90.6	Very high	106 Å²	106	61.7 Å²	61.7	74%	0.741	36%	0.361	S	S	*	.			trans	-133.9	146.7	176.2	65	0	0	0	0	109.6
18	G	85.8	Confident	91.3	Very high	88 Å²	88	59.4 Å²	59.4	91%	0.907	34%	0.335	S	S	*	.	S	Bend	trans	88.2	-6.9	177.4	0	0	0	0	0	116.1
19	F	83.9	Confident	91.6	Very high	80 Å²	80	58 Å²	58	35%	0.351	32%	0.324	S	S	.	.	S	Bend	trans	-157	166.2	173.9	61.1	-90.1	0	0	0	111.8	Y16 T24 N69 N90	Y16-F19 AromaticContact CD1-CE1 3.73Å; Y16-F19 HydrophobicContact CD1-CE1 3.73Å; Y16-F19 AromaticContact CD1-CE2 3.86Å; Y16-F19 HydrophobicContact CD1-CE2 3.86Å; Y16-F19 AromaticContact CD1-CZ 3.11Å; Y16-F19 HydrophobicContact CD1-CZ 3.11Å; Y16-F19 HydrophobicContact CE1-CE1 4.45Å; Y16-F19 AromaticContact CE1-CZ 3.68Å; Y16-F19 HydrophobicContact CE1-CZ 3.68Å; Y16-F19 HydrophobicContact CG-CE2 4.2Å; Y16-F19 AromaticContact CG-CZ 3.87Å; Y16-F19 HydrophobicContact CG-CZ 3.87Å; F19-T24 HydrophobicContact CD2-CG2 4.48Å; F19-T24 HydrophobicContact CE2-CG2 3.78Å; F19-N69 PolarHBondContact O-ND2 3.02Å; F19-N90 VanDerWaalsContact CZ-ND2 3.32Å; F19-N90 WeakPolarHBondContact CZ-ND2 3.14Å
20	N	88.9	Confident	91.7	Very high	70 Å²	70	55 Å²	55	37%	0.374	30%	0.302	S	S	.	.			trans	-84.3	123	176.7	178.8	0.1	0	0	0	110.2	K22 D23	N20-K22 PolarHBondContact O-N 3.09Å; N20-K22 VanDerWaalsContact O-N 3.1Å; N20-K22 WeakPolarHBondContact OD1-CB 3.32Å; N20-K22 PolarHBondContact OD1-N 3.21Å; N20-K22 VanDerWaalsContact OD1-N 3.08Å; N20-D23 WeakPolarHBondContact CB-OD2 3.49Å; N20-D23 PolarHBondContact O-N 3.4Å
21	I	90.5	Very high	91.7	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-61.8	-20.4	-177.1	-155.8	177.6	0	0	0	112.6	Y16 D23 M26 P45 T66 N69 A71	Y16-I21 HydrophobicContact CD2-CD1 3.83Å; Y16-I21 HydrophobicContact CD2-CG1 4.15Å; Y16-I21 HydrophobicContact CE2-CD1 4.44Å; I21-D23 PolarHBondContact O-N 2.83Å; I21-M26 HydrophobicContact CD1-CE 4.18Å; I21-M26 HydrophobicContact CG1-CE 4.02Å; I21-P45 HydrophobicContact CG1-CG 4.04Å; I21-P45 HydrophobicContact CG2-CB 4.09Å; I21-P45 VanDerWaalsContact O-CG 3.26Å; I21-P45 WeakPolarHBondContact O-CG 3.1Å; I21-T66 HydrophobicContact CG2-CG2 4.15Å; I21-N69 WeakPolarHBondContact CB-OD1 3.14Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.4Å; I21-N69 PolarHBondContact N-OD1 2.76Å; I21-A71 HydrophobicContact CD1-CB 4.05Å
22	K	90.9	Very high	91.4	Very high	93 Å²	93	54.7 Å²	54.7	40%	0.404	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-65.7	-21	175	-69	-173.1	176.7	-174.9	0	113.8	N20 T24 A46 T66	N20-K22 PolarHBondContact O-N 3.09Å; N20-K22 VanDerWaalsContact O-N 3.1Å; N20-K22 WeakPolarHBondContact OD1-CB 3.32Å; N20-K22 PolarHBondContact OD1-N 3.21Å; N20-K22 VanDerWaalsContact OD1-N 3.08Å; K22-T24 VanDerWaalsContact C-N 3.27Å; K22-T24 PolarHBondContact O-N 3.49Å; K22-A46 HydrophobicContact CB-CB 4.49Å; K22-T66 HydrophobicContact CD-CG2 4.12Å; K22-T66 VanDerWaalsContact CE-CG2 3.43Å; K22-T66 WeakPolarHBondContact CE-OG1 3.23Å; K22-T66 HydrophobicContact CG-CG2 3.52Å
23	D	89	Confident	90.8	Very high	131 Å²	131	59.2 Å²	59.2	70%	0.701	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-88.3	4.3	-172.9	-56.1	-28.9	0	0	0	112.6	N20 I21	N20-D23 WeakPolarHBondContact CB-OD2 3.49Å; N20-D23 PolarHBondContact O-N 3.4Å; I21-D23 PolarHBondContact O-N 2.83Å
24	T	87.6	Confident	90.2	Very high	25 Å²	25	64.3 Å²	64.3	15%	0.153	35%	0.345	C	S	.	.	S	Bend	trans	-145.9	154	-176.4	-173.8	0	0	0	0	112.3	F19 K22 P45 N90	F19-T24 HydrophobicContact CD2-CG2 4.48Å; F19-T24 HydrophobicContact CE2-CG2 3.78Å; K22-T24 VanDerWaalsContact C-N 3.27Å; K22-T24 PolarHBondContact O-N 3.49Å; T24-P45 WeakPolarHBondContact O-CD 3.45Å; T24-N90 HydrophobicContact CG2-CB 3.99Å; T24-N90 WeakPolarHBondContact OG1-CB 3.31Å; T24-N90 PolarHBondContact OG1-O 3.08Å
25	Y	90.9	Very high	89.3	Confident	75 Å²	75	68.5 Å²	68.5	29%	0.294	36%	0.363	S	S	.	.			trans	-72.5	146.3	163.2	-64.4	-67.9	0	0	0	110.8	R42 D44 N90	Y25-R42 VanDerWaalsContact CD1-NH1 3.25Å; Y25-D44 HydrophobicContact CD1-CB 3.79Å; Y25-D44 HydrophobicContact CE1-CB 3.64Å; Y25-D44 WeakPolarHBondContact CE1-OD2 3.38Å; Y25-N90 WeakPolarHBondContact O-CA 3.33Å
26	M	92.3	Very high	88.9	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.7	175.6	-173.4	53.6	43.3	0	0	110.8	Y16 I21 R42 V43 A71 C88	Y16-M26 HydrophobicContact CD2-CE 3.7Å; Y16-M26 HydrophobicContact CE1-CE 4.1Å; Y16-M26 HydrophobicContact CE2-CE 2.96Å; Y16-M26 HydrophobicContact CE2-SD 3.34Å; Y16-M26 WeakPolarHBondContact CE2-SD 3.43Å; Y16-M26 VanDerWaalsContact OH-CE 3.24Å; Y16-M26 WeakPolarHBondContact OH-CE 3.43Å; Y16-M26 PolarHBondContact OH-SD 2.92Å; I21-M26 HydrophobicContact CD1-CE 4.18Å; I21-M26 HydrophobicContact CG1-CE 4.02Å; M26-R42 CarbonylContact O-C 3.54Å; M26-R42 WeakPolarHBondContact O-CA 3.33Å; M26-R42 WeakPolarHBondContact O-CB 3.41Å; M26-V43 HydrophobicContact CB-CG1 3.67Å; M26-V43 HydrophobicContact CG-CG1 4.25Å; M26-V43 PolarHBondContact N-O 3.08Å; M26-V43 PolarHBondContact O-N 2.72Å; M26-A71 HydrophobicContact CB-CB 4.48Å; M26-A71 HydrophobicContact CG-CB 3.56Å; M26-A71 HydrophobicContact SD-CB 4.32Å; M26-C88 HydrophobicContact SD-CB 4.09Å
27	Y	93.8	Very high	89.1	Confident	18 Å²	18	67 Å²	67	7%	0.071	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	138.9	-178.4	-66.5	-88.9	0	0	0	111	W39 R42 C88 A89 F92 D93	Y27-W39 AromaticContact CD1-NE1 3.41Å; Y27-R42 HydrophobicContact CD1-CB 3.79Å; Y27-R42 HydrophobicContact CE1-CB 3.79Å; Y27-R42 HydrophobicContact CE1-CG 4.26Å; Y27-R42 HydrophobicContact CG-CB 4.32Å; Y27-R42 PolarHBondContact OH-NH1 3.48Å; Y27-C88 CarbonylContact O-C 3.59Å; Y27-C88 VanDerWaalsContact O-CA 3.23Å; Y27-C88 WeakPolarHBondContact O-CA 3.5Å; Y27-A89 WeakPolarHBondContact CB-O 3.43Å; Y27-A89 PolarHBondContact N-O 2.62Å; Y27-A89 PolarHBondContact O-N 3.41Å; Y27-F92 VanDerWaalsContact CB-CD2 3.49Å; Y27-F92 HydrophobicContact CD1-CB 3.64Å; Y27-F92 HydrophobicContact CD1-CD2 4.29Å; Y27-F92 HydrophobicContact CD1-CG 4.23Å; Y27-F92 HydrophobicContact CD2-CB 3.71Å; Y27-F92 HydrophobicContact CD2-CD2 4.18Å; Y27-F92 HydrophobicContact CD2-CG 4.43Å; Y27-F92 HydrophobicContact CE1-CB 3.85Å; Y27-F92 HydrophobicContact CE2-CB 3.84Å; Y27-F92 HydrophobicContact CG-CB 3.62Å; Y27-F92 AromaticContact CG-CD2 3.74Å; Y27-F92 HydrophobicContact CG-CD2 3.74Å; Y27-F92 HydrophobicContact CG-CG 4.06Å; Y27-D93 WeakPolarHBondContact CE2-OD1 3.37Å; Y27-D93 PolarHBondContact OH-OD1 2.63Å
28	W	95.9	Very high	89.3	Confident	6 Å²	6	63.5 Å²	63.5	2%	0.023	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.2	171.5	-71.9	98.3	0	0	0	110.5	L12 C14 I40 G41 T62 A71 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.2Å; L12-W28 HydrophobicContact CB-CZ3 4.16Å; C14-W28 HydrophobicContact CB-CH2 3.7Å; C14-W28 HydrophobicContact CB-CZ2 4.07Å; W28-I40 HydrophobicContact CB-CB 4.11Å; W28-I40 HydrophobicContact CB-CD1 4.35Å; W28-I40 WeakPolarHBondContact O-CB 3.1Å; W28-I40 PolarHBondContact O-N 2.9Å; W28-G41 PolarHBondContact N-O 3.11Å; W28-T62 VanDerWaalsContact CD1-OG1 3.31Å; W28-T62 PolarHBondContact NE1-OG1 3.25Å; W28-T62 VanDerWaalsContact NE1-OG1 3.1Å; W28-A71 HydrophobicContact CZ2-CB 4.18Å; W28-L73 HydrophobicContact CB-CD2 4.06Å; W28-L73 HydrophobicContact CD2-CB 3.51Å; W28-L73 HydrophobicContact CD2-CD2 3.84Å; W28-L73 HydrophobicContact CD2-CG 4.22Å; W28-L73 HydrophobicContact CE3-CB 3.76Å; W28-L73 HydrophobicContact CE3-CD2 3.69Å; W28-L73 HydrophobicContact CE3-CG 4.37Å; W28-L73 HydrophobicContact CG-CB 4.04Å; W28-L73 HydrophobicContact CG-CD1 4.48Å; W28-L73 HydrophobicContact CG-CD2 4.01Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CH2-CB 3.94Å; W28-L73 HydrophobicContact CZ2-CB 3.74Å; W28-L73 HydrophobicContact CZ3-CB 3.96Å; W28-L73 HydrophobicContact CZ3-CD2 4.39Å; W28-Y87 WeakPolarHBondContact CA-O 3.32Å; W28-C88 HydrophobicContact CD2-CB 4.47Å; W28-C88 HydrophobicContact CE3-CB 4.18Å; W28-C88 HydrophobicContact CH2-CB 4.18Å; W28-C88 HydrophobicContact CZ2-CB 4.44Å; W28-C88 HydrophobicContact CZ3-CB 4.03Å
29	V	95.1	Very high	89.7	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.024	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	138.1	-174.6	-176.6	0	0	0	0	109.8	L37 E38 Y86 Y87 F92	V29-L37 HydrophobicContact CG1-CB 3.74Å; V29-L37 HydrophobicContact CG1-CD2 3.79Å; V29-L37 HydrophobicContact CG1-CG 4.25Å; V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.44Å; V29-E38 WeakPolarHBondContact CG1-O 3.37Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.46Å; V29-Y87 PolarHBondContact N-O 3Å; V29-Y87 PolarHBondContact O-N 3.32Å; V29-F92 HydrophobicContact CG2-CD2 4.38Å; V29-F92 HydrophobicContact CG2-CE2 3.5Å; V29-F92 VanDerWaalsContact CG2-CE2 3.5Å; V29-F92 HydrophobicContact CG2-CZ 3.59Å
30	K	94.4	Very high	90.2	Very high	1 Å²	1	58.9 Å²	58.9	0%	0.004	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.9	172.7	-175.4	-178	-177.8	178.9	0	108.6	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.3Å; K30-E38 PolarHBondContact N-O 3.36Å; K30-E38 PolarHBondContact O-N 2.85Å; K30-I40 HydrophobicContact CB-CD1 3.96Å; K30-I40 HydrophobicContact CB-CG1 4.09Å; K30-F56 HydrophobicContact CD-CE1 3.94Å; K30-F56 HydrophobicContact CD-CZ 3.97Å; K30-E81 WeakPolarHBondContact CE-O 3.02Å; K30-E81 PolarHBondContact NZ-O 2.97Å; K30-D82 IonicContact NZ-OD1 3.04Å; K30-D82 PolarHBondContact NZ-OD1 2.91Å; K30-D82 VanDerWaalsContact NZ-OD1 3.08Å; K30-A84 HydrophobicContact CD-CB 4.1Å; K30-A84 HydrophobicContact CG-CB 3.42Å; K30-A84 VanDerWaalsContact CG-CB 3.42Å; K30-Y86 HydrophobicContact CB-CD1 4.31Å; K30-Y86 HydrophobicContact CB-CE1 4.04Å; K30-Y86 HydrophobicContact CD-CE1 4.22Å; K30-Y86 HydrophobicContact CG-CD1 4.47Å; K30-Y86 HydrophobicContact CG-CE1 3.92Å
31	Q	93.3	Very high	90.5	Very high	72 Å²	72	55.6 Å²	55.6	34%	0.336	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.7	172.1	-168.8	-179.1	32.8	0	0	109.7	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.75Å; Q31-L37 HydrophobicContact CG-CD2 3.8Å; Q31-A84 WeakPolarHBondContact O-CB 3.35Å; Q31-V85 PolarHBondContact N-O 3.2Å; Q31-V85 PolarHBondContact O-N 3.07Å; Q31-Y87 HydrophobicContact CB-CD2 4.16Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.23Å; Q31-Y87 PolarHBondContact OE1-OH 3.05Å
32	R	90.3	Very high	90.7	Very high	52 Å²	52	57.6 Å²	57.6	20%	0.196	29%	0.293	C	S	.	.			trans	-101.2	153.5	169.9	-61.3	-174.6	-148.7	-159.3	1.6	109	E34 Q35 E38 E81 A84	R32-E34 PolarHBondContact O-N 3.44Å; R32-Q35 CarbonylContact C-O 3.51Å; R32-Q35 HydrophobicContact CB-CB 3.87Å; R32-Q35 VanDerWaalsContact CD-OE1 3.26Å; R32-Q35 HydrophobicContact CG-CB 4.43Å; R32-Q35 PolarHBondContact N-O 3.49Å; R32-Q35 PolarHBondContact O-N 3.16Å; R32-E38 IonicContact CZ-OE2 3.01Å; R32-E38 IonicContact NE-OE2 3.81Å; R32-E38 PolarHBondContact NE-OE2 3.1Å; R32-E38 IonicContact NH2-OE2 3.08Å; R32-E38 PolarHBondContact NH2-OE2 3.45Å; R32-E81 VanDerWaalsContact CZ-O 3.31Å; R32-E81 PolarHBondContact NH1-O 3Å; R32-A84 HydrophobicContact CG-CB 4.06Å
33	P	82.3	Confident	90.9	Very high	132 Å²	132	53.3 Å²	53.3	86%	0.857	28%	0.275	S	S	*	.	S	Bend	trans	-58	-33.2	177	-26.6	35.5	0	0	0	113.6
34	E	83.9	Confident	91.2	Very high	195 Å²	195	47.9 Å²	47.9	91%	0.911	25%	0.246	S	C	*	.	S	Bend	trans	-109.8	-3	-174.8	-54.4	-153.7	-168	0	0	114.3	R32	R32-E34 PolarHBondContact O-N 3.44Å
35	Q	75.1	Confident	91.5	Very high	100 Å²	100	47.2 Å²	47.2	47%	0.467	24%	0.242	S	C	.	.	S	Bend	trans	-129.2	132.5	179.6	-99.1	171.4	-10.1	0	0	107.6	R32	R32-Q35 CarbonylContact C-O 3.51Å; R32-Q35 HydrophobicContact CB-CB 3.87Å; R32-Q35 VanDerWaalsContact CD-OE1 3.26Å; R32-Q35 HydrophobicContact CG-CB 4.43Å; R32-Q35 PolarHBondContact N-O 3.49Å; R32-Q35 PolarHBondContact O-N 3.16Å
36	G	86.4	Confident	91.6	Very high	57 Å²	57	46.6 Å²	46.6	59%	0.588	25%	0.252	S	S	*	.			trans	-58.2	-171.4	-178.9	0	0	0	0	0	113.9	E38	G36-E38 PolarHBondContact O-N 3.04Å
37	L	91.1	Very high	91.7	Very high	103 Å²	103	51.9 Å²	51.9	54%	0.539	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	120.1	178.6	-63.6	175.5	0	0	0	110.7	V29 Q31	V29-L37 HydrophobicContact CG1-CB 3.74Å; V29-L37 HydrophobicContact CG1-CD2 3.79Å; V29-L37 HydrophobicContact CG1-CG 4.25Å; Q31-L37 HydrophobicContact CB-CD2 3.75Å; Q31-L37 HydrophobicContact CG-CD2 3.8Å
38	E	93.3	Very high	91.6	Very high	32 Å²	32	53.4 Å²	53.4	15%	0.15	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	117.7	172.1	-60	-171	89.1	0	0	109	V29 K30 R32 G36 I40 K55 F56	V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.44Å; V29-E38 WeakPolarHBondContact CG1-O 3.37Å; K30-E38 HydrophobicContact CB-CB 4.3Å; K30-E38 PolarHBondContact N-O 3.36Å; K30-E38 PolarHBondContact O-N 2.85Å; R32-E38 IonicContact CZ-OE2 3.01Å; R32-E38 IonicContact NE-OE2 3.81Å; R32-E38 PolarHBondContact NE-OE2 3.1Å; R32-E38 IonicContact NH2-OE2 3.08Å; R32-E38 PolarHBondContact NH2-OE2 3.45Å; G36-E38 PolarHBondContact O-N 3.04Å; E38-I40 PolarHBondContact O-N 2.91Å; E38-K55 IonicContact OE1-NZ 3.43Å; E38-F56 HydrophobicContact CB-CE2 4.36Å; E38-F56 HydrophobicContact CB-CZ 4.33Å
39	W	93.9	Very high	91.5	Very high	69 Å²	69	59.1 Å²	59.1	26%	0.261	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	129.5	173.9	179.1	68.9	0	0	0	110.4	Y27 G41 R42 K51 Y52 D53	Y27-W39 AromaticContact CD1-NE1 3.41Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 VanDerWaalsContact CZ2-C 3.41Å; W39-G41 PolarHBondContact NE1-O 2.89Å; W39-R42 HydrophobicContact CZ2-CB 4.2Å; W39-R42 HydrophobicContact CZ2-CG 4.2Å; W39-K51 HydrophobicContact CH2-CB 4.23Å; W39-K51 HydrophobicContact CH2-CD 4.14Å; W39-K51 HydrophobicContact CH2-CG 3.98Å; W39-Y52 VanDerWaalsContact CZ3-C 3.42Å; W39-D53 HydrophobicContact CE3-CB 3.74Å; W39-D53 HydrophobicContact CZ3-CB 3.94Å; W39-D53 VanDerWaalsContact O-CB 3.32Å; W39-D53 WeakPolarHBondContact O-CB 3.32Å
40	I	95.7	Very high	91.6	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-48.9	-179	-60.3	175.7	0	0	0	110.1	W28 K30 E38 Y52 D53 F56 A60 L73 Y86	W28-I40 HydrophobicContact CB-CB 4.11Å; W28-I40 HydrophobicContact CB-CD1 4.35Å; W28-I40 WeakPolarHBondContact O-CB 3.1Å; W28-I40 PolarHBondContact O-N 2.9Å; K30-I40 HydrophobicContact CB-CD1 3.96Å; K30-I40 HydrophobicContact CB-CG1 4.09Å; E38-I40 PolarHBondContact O-N 2.91Å; I40-Y52 WeakPolarHBondContact O-CA 3.49Å; I40-D53 PolarHBondContact O-N 2.94Å; I40-F56 HydrophobicContact CB-CD2 4.4Å; I40-F56 HydrophobicContact CB-CG 4.33Å; I40-F56 HydrophobicContact CG1-CD1 4.31Å; I40-F56 HydrophobicContact CG1-CD2 4.37Å; I40-F56 HydrophobicContact CG1-CE1 4.29Å; I40-F56 HydrophobicContact CG1-CE2 4.33Å; I40-F56 HydrophobicContact CG1-CG 4.35Å; I40-F56 HydrophobicContact CG1-CZ 4.3Å; I40-F56 HydrophobicContact CG2-CB 3.83Å; I40-F56 HydrophobicContact CG2-CD1 4.24Å; I40-F56 HydrophobicContact CG2-CD2 4.46Å; I40-F56 HydrophobicContact CG2-CG 3.93Å; I40-A60 HydrophobicContact CG2-CB 3.72Å; I40-L73 HydrophobicContact CD1-CD2 3.78Å; I40-L73 HydrophobicContact CG2-CD1 4.26Å; I40-Y86 HydrophobicContact CD1-CD1 3.62Å; I40-Y86 HydrophobicContact CD1-CE1 3.65Å
41	G	95.3	Very high	91.6	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.01	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173	176.8	-171.3	0	0	0	0	0	112.6	W28 W39 K51	W28-G41 PolarHBondContact N-O 3.11Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 VanDerWaalsContact CZ2-C 3.41Å; W39-G41 PolarHBondContact NE1-O 2.89Å; G41-K51 CarbonylContact C-O 3.51Å; G41-K51 WeakPolarHBondContact CA-O 3.5Å
42	R	95	Very high	91.7	Very high	43 Å²	43	65.3 Å²	65.3	16%	0.162	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	155	172.9	75.6	-179	-168.5	143.6	9.2	112.3	Y25 M26 Y27 W39 T50 K51	Y25-R42 VanDerWaalsContact CD1-NH1 3.25Å; M26-R42 CarbonylContact O-C 3.54Å; M26-R42 WeakPolarHBondContact O-CA 3.33Å; M26-R42 WeakPolarHBondContact O-CB 3.41Å; Y27-R42 HydrophobicContact CD1-CB 3.79Å; Y27-R42 HydrophobicContact CE1-CB 3.79Å; Y27-R42 HydrophobicContact CE1-CG 4.26Å; Y27-R42 HydrophobicContact CG-CB 4.32Å; Y27-R42 PolarHBondContact OH-NH1 3.48Å; W39-R42 HydrophobicContact CZ2-CB 4.2Å; W39-R42 HydrophobicContact CZ2-CG 4.2Å; R42-T50 VanDerWaalsContact O-CA 3.27Å; R42-T50 WeakPolarHBondContact O-CA 3.01Å; R42-K51 HydrophobicContact CG-CB 4.11Å; R42-K51 PolarHBondContact N-O 2.83Å; R42-K51 PolarHBondContact O-N 3.23Å
43	V	95.3	Very high	92	Very high	3 Å²	3	64.9 Å²	64.9	2%	0.018	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138.8	166.5	58.8	0	0	0	0	109.9	M26 P45 Y49 T50 T62 A64	M26-V43 HydrophobicContact CB-CG1 3.67Å; M26-V43 HydrophobicContact CG-CG1 4.25Å; M26-V43 PolarHBondContact N-O 3.08Å; M26-V43 PolarHBondContact O-N 2.72Å; V43-P45 WeakPolarHBondContact O-CD 3.34Å; V43-Y49 CarbonylContact C-O 3.53Å; V43-Y49 WeakPolarHBondContact CA-O 3.23Å; V43-T50 HydrophobicContact CB-CG2 4.03Å; V43-T50 HydrophobicContact CG2-CG2 3.92Å; V43-T62 HydrophobicContact CB-CG2 3.78Å; V43-T62 HydrophobicContact CG1-CG2 4.33Å; V43-T62 WeakPolarHBondContact CG1-OG1 3.49Å; V43-A64 HydrophobicContact CG1-CB 4.27Å; V43-A64 HydrophobicContact CG2-CB 4.44Å
44	D	94.7	Very high	92.6	Very high	16 Å²	16	63.7 Å²	63.7	9%	0.086	35%	0.346	C	S	.	.			trans	-90.4	106.9	164	-175.5	-23.3	0	0	0	108.2	Y25 A46 N47 G48 Y49	Y25-D44 HydrophobicContact CD1-CB 3.79Å; Y25-D44 HydrophobicContact CE1-CB 3.64Å; Y25-D44 WeakPolarHBondContact CE1-OD2 3.38Å; D44-A46 PolarHBondContact O-N 2.89Å; D44-A46 VanDerWaalsContact OD1-CB 3.24Å; D44-A46 WeakPolarHBondContact OD1-CB 2.97Å; D44-A46 PolarHBondContact OD1-N 3.46Å; D44-N47 WeakPolarHBondContact CB-OD1 3.24Å; D44-N47 VanDerWaalsContact CG-OD1 3.29Å; D44-N47 PolarHBondContact OD2-ND2 3.03Å; D44-N47 PolarHBondContact OD2-OD1 2.46Å; D44-G48 WeakPolarHBondContact O-CA 3.3Å; D44-G48 PolarHBondContact O-N 2.88Å; D44-Y49 PolarHBondContact N-O 2.97Å
45	P	94.3	Very high	93	Very high	11 Å²	11	61.5 Å²	61.5	7%	0.071	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-15	-177.2	-20.8	37.9	0	0	0	113.3	I21 T24 V43 A64 T66	I21-P45 HydrophobicContact CG1-CG 4.04Å; I21-P45 HydrophobicContact CG2-CB 4.09Å; I21-P45 VanDerWaalsContact O-CG 3.26Å; I21-P45 WeakPolarHBondContact O-CG 3.1Å; T24-P45 WeakPolarHBondContact O-CD 3.45Å; V43-P45 WeakPolarHBondContact O-CD 3.34Å; P45-A64 HydrophobicContact CB-CB 3.75Å; P45-A64 HydrophobicContact CG-CB 3.96Å; P45-T66 HydrophobicContact CB-CG2 4.01Å; P45-T66 WeakPolarHBondContact O-CG2 3.37Å
46	A	92.4	Very high	93.9	Very high	62 Å²	62	57.2 Å²	57.2	51%	0.512	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-36.3	179.5	0	0	0	0	0	112.4	K22 D44	K22-A46 HydrophobicContact CB-CB 4.49Å; D44-A46 PolarHBondContact O-N 2.89Å; D44-A46 VanDerWaalsContact OD1-CB 3.24Å; D44-A46 WeakPolarHBondContact OD1-CB 2.97Å; D44-A46 PolarHBondContact OD1-N 3.46Å
47	N	93.7	Very high	94.2	Very high	112 Å²	112	60.7 Å²	60.7	60%	0.599	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.9	-3.1	-175.4	59.4	37.1	0	0	0	114.1	D44 Y49	D44-N47 WeakPolarHBondContact CB-OD1 3.24Å; D44-N47 VanDerWaalsContact CG-OD1 3.29Å; D44-N47 PolarHBondContact OD2-ND2 3.03Å; D44-N47 PolarHBondContact OD2-OD1 2.46Å; N47-Y49 VanDerWaalsContact C-N 3.29Å; N47-Y49 PolarHBondContact O-N 3.06Å; N47-Y49 WeakPolarHBondContact OD1-CB 3.19Å; N47-Y49 PolarHBondContact OD1-N 3.18Å
48	G	92.1	Very high	94.3	Very high	49 Å²	49	60.5 Å²	60.5	51%	0.505	33%	0.328	S	S	.	.			trans	77	8.2	-179.6	0	0	0	0	0	114.7	D44 T50	D44-G48 WeakPolarHBondContact O-CA 3.3Å; D44-G48 PolarHBondContact O-N 2.88Å; G48-T50 PolarHBondContact O-N 2.96Å
49	Y	94.6	Very high	94.3	Very high	127 Å²	127	61.7 Å²	61.7	50%	0.498	33%	0.333	S	S	.	.			trans	-62.6	134.5	178.2	177.1	-96.6	0	0	0	110.6	V43 D44 N47 K51	V43-Y49 CarbonylContact C-O 3.53Å; V43-Y49 WeakPolarHBondContact CA-O 3.23Å; D44-Y49 PolarHBondContact N-O 2.97Å; N47-Y49 VanDerWaalsContact C-N 3.29Å; N47-Y49 PolarHBondContact O-N 3.06Å; N47-Y49 WeakPolarHBondContact OD1-CB 3.19Å; N47-Y49 PolarHBondContact OD1-N 3.18Å; Y49-K51 HydrophobicContact CE1-CB 4.2Å
50	T	95.8	Very high	94.5	Very high	50 Å²	50	58.6 Å²	58.6	31%	0.307	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147.6	179.1	59	0	0	0	0	111.4	R42 V43 G48 Y52 T62	R42-T50 VanDerWaalsContact O-CA 3.27Å; R42-T50 WeakPolarHBondContact O-CA 3.01Å; V43-T50 HydrophobicContact CB-CG2 4.03Å; V43-T50 HydrophobicContact CG2-CG2 3.92Å; G48-T50 PolarHBondContact O-N 2.96Å; T50-Y52 WeakPolarHBondContact OG1-CE2 2.97Å; T50-T62 HydrophobicContact CG2-CG2 3.72Å
51	K	95.5	Very high	94.5	Very high	112 Å²	112	62 Å²	62	49%	0.487	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	140.9	172.1	-166.9	-173.1	177.2	-178.7	0	108.1	W39 G41 R42 Y49	W39-K51 HydrophobicContact CH2-CB 4.23Å; W39-K51 HydrophobicContact CH2-CD 4.14Å; W39-K51 HydrophobicContact CH2-CG 3.98Å; G41-K51 CarbonylContact C-O 3.51Å; G41-K51 WeakPolarHBondContact CA-O 3.5Å; R42-K51 HydrophobicContact CG-CB 4.11Å; R42-K51 PolarHBondContact N-O 2.83Å; R42-K51 PolarHBondContact O-N 3.23Å; Y49-K51 HydrophobicContact CE1-CB 4.2Å
52	Y	96.1	Very high	94.6	Very high	44 Å²	44	62.1 Å²	62.1	17%	0.173	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	156.3	-179	-59	-85.6	0	0	0	110.5	W39 I40 T50 A60 T62	W39-Y52 VanDerWaalsContact CZ3-C 3.42Å; I40-Y52 WeakPolarHBondContact O-CA 3.49Å; T50-Y52 WeakPolarHBondContact OG1-CE2 2.97Å; Y52-A60 HydrophobicContact CD1-CB 4.21Å; Y52-A60 HydrophobicContact CE1-CB 4.24Å; Y52-A60 WeakPolarHBondContact CE1-O 3.48Å; Y52-T62 HydrophobicContact CE1-CG2 3.74Å; Y52-T62 WeakPolarHBondContact OH-CG2 3.27Å; Y52-T62 PolarHBondContact OH-N 2.01Å
53	D	95	Very high	94.6	Very high	44 Å²	44	63.2 Å²	63.2	24%	0.235	35%	0.354	C	S	.	.			trans	-71.8	136.6	159.7	-178.2	-66.5	0	0	0	108.3	W39 I40 K55 F56 Q57	W39-D53 HydrophobicContact CE3-CB 3.74Å; W39-D53 HydrophobicContact CZ3-CB 3.94Å; W39-D53 VanDerWaalsContact O-CB 3.32Å; W39-D53 WeakPolarHBondContact O-CB 3.32Å; I40-D53 PolarHBondContact O-N 2.94Å; D53-K55 PolarHBondContact O-N 2.82Å; D53-K55 VanDerWaalsContact OD1-CB 3.23Å; D53-K55 WeakPolarHBondContact OD1-CB 3.31Å; D53-K55 VanDerWaalsContact OD1-CG 3.31Å; D53-K55 WeakPolarHBondContact OD1-CG 3.36Å; D53-K55 PolarHBondContact OD1-N 3.11Å; D53-F56 HydrophobicContact CB-CD2 4.06Å; D53-F56 PolarHBondContact O-N 3.35Å; D53-Q57 PolarHBondContact O-N 3.31Å; D53-Q57 VanDerWaalsContact O-N 3.11Å
54	P	94.9	Very high	94.6	Very high	106 Å²	106	64.7 Å²	64.7	69%	0.688	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-30.6	-179	-28.8	35.7	0	0	0	114.5	F56	P54-F56 VanDerWaalsContact C-N 3.26Å; P54-F56 PolarHBondContact O-N 3.11Å
55	K	92.1	Very high	94.6	Very high	149 Å²	149	66.4 Å²	66.4	65%	0.648	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-31.1	177.2	-66.1	172.8	176.2	177	0	113	E38 D53	E38-K55 IonicContact OE1-NZ 3.43Å; D53-K55 PolarHBondContact O-N 2.82Å; D53-K55 VanDerWaalsContact OD1-CB 3.23Å; D53-K55 WeakPolarHBondContact OD1-CB 3.31Å; D53-K55 VanDerWaalsContact OD1-CG 3.31Å; D53-K55 WeakPolarHBondContact OD1-CG 3.36Å; D53-K55 PolarHBondContact OD1-N 3.11Å
56	F	93.9	Very high	94.6	Very high	11 Å²	11	68.3 Å²	68.3	5%	0.048	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-12.9	-174.5	-62.8	-81.9	0	0	0	113	K30 E38 I40 D53 P54 A58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.94Å; K30-F56 HydrophobicContact CD-CZ 3.97Å; E38-F56 HydrophobicContact CB-CE2 4.36Å; E38-F56 HydrophobicContact CB-CZ 4.33Å; I40-F56 HydrophobicContact CB-CD2 4.4Å; I40-F56 HydrophobicContact CB-CG 4.33Å; I40-F56 HydrophobicContact CG1-CD1 4.31Å; I40-F56 HydrophobicContact CG1-CD2 4.37Å; I40-F56 HydrophobicContact CG1-CE1 4.29Å; I40-F56 HydrophobicContact CG1-CE2 4.33Å; I40-F56 HydrophobicContact CG1-CG 4.35Å; I40-F56 HydrophobicContact CG1-CZ 4.3Å; I40-F56 HydrophobicContact CG2-CB 3.83Å; I40-F56 HydrophobicContact CG2-CD1 4.24Å; I40-F56 HydrophobicContact CG2-CD2 4.46Å; I40-F56 HydrophobicContact CG2-CG 3.93Å; D53-F56 HydrophobicContact CB-CD2 4.06Å; D53-F56 PolarHBondContact O-N 3.35Å; P54-F56 VanDerWaalsContact C-N 3.26Å; P54-F56 PolarHBondContact O-N 3.11Å; F56-A58 PolarHBondContact O-N 3.07Å; F56-A58 VanDerWaalsContact O-N 3.07Å; F56-K59 PolarHBondContact O-N 2.82Å; F56-A60 HydrophobicContact CB-CB 4.06Å; F56-A60 WeakPolarHBondContact O-CB 3.36Å; F56-A60 PolarHBondContact O-N 2.92Å
57	Q	93.6	Very high	94.6	Very high	130 Å²	130	70.4 Å²	70.4	61%	0.607	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-31.8	-174	-171.9	172.8	-2.9	0	0	114.6	D53	D53-Q57 PolarHBondContact O-N 3.31Å; D53-Q57 VanDerWaalsContact O-N 3.11Å
58	A	93.3	Very high	94.7	Very high	98 Å²	98	67 Å²	67	81%	0.81	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-17.1	178.8	0	0	0	0	0	114.2	F56	F56-A58 PolarHBondContact O-N 3.07Å; F56-A58 VanDerWaalsContact O-N 3.07Å
59	K	94.1	Very high	94.8	Very high	58 Å²	58	65.9 Å²	65.9	25%	0.252	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-29	-172.2	-71.7	-176.4	167.6	-170.3	0	113.6	F56 L75 S76 D82	F56-K59 PolarHBondContact O-N 2.82Å; K59-L75 WeakPolarHBondContact O-CA 3.26Å; K59-S76 PolarHBondContact O-N 3.02Å; K59-S76 PolarHBondContact O-OG 2.96Å; K59-D82 IonicContact NZ-OD2 3Å; K59-D82 PolarHBondContact NZ-OD2 2.85Å
60	A	96.3	Very high	94.8	Very high	4 Å²	4	60.4 Å²	60.4	3%	0.033	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.5	-171.7	0	0	0	0	0	111.5	I40 Y52 F56 L73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.72Å; Y52-A60 HydrophobicContact CD1-CB 4.21Å; Y52-A60 HydrophobicContact CE1-CB 4.24Å; Y52-A60 WeakPolarHBondContact CE1-O 3.48Å; F56-A60 HydrophobicContact CB-CB 4.06Å; F56-A60 WeakPolarHBondContact O-CB 3.36Å; F56-A60 PolarHBondContact O-N 2.92Å; A60-L73 HydrophobicContact CB-CD1 3.97Å; A60-Q74 WeakPolarHBondContact CA-O 3.39Å; A60-L75 HydrophobicContact CB-CD2 3.9Å
61	T	97.1	Very high	94.8	Very high	71 Å²	71	58 Å²	58	44%	0.436	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	118.8	168.8	-57.8	0	0	0	0	108.3	T63 Q74	T61-T63 HydrophobicContact CG2-CG2 4.36Å; T61-Q74 PolarHBondContact N-O 3.33Å; T61-Q74 PolarHBondContact O-N 3.42Å
62	T	96.3	Very high	94.9	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.031	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	139	174	-171.5	0	0	0	0	111.6	W28 V43 T50 Y52 Y72	W28-T62 VanDerWaalsContact CD1-OG1 3.31Å; W28-T62 PolarHBondContact NE1-OG1 3.25Å; W28-T62 VanDerWaalsContact NE1-OG1 3.1Å; V43-T62 HydrophobicContact CB-CG2 3.78Å; V43-T62 HydrophobicContact CG1-CG2 4.33Å; V43-T62 WeakPolarHBondContact CG1-OG1 3.49Å; T50-T62 HydrophobicContact CG2-CG2 3.72Å; Y52-T62 HydrophobicContact CE1-CG2 3.74Å; Y52-T62 WeakPolarHBondContact OH-CG2 3.27Å; Y52-T62 PolarHBondContact OH-N 2.01Å; T62-Y72 VanDerWaalsContact CA-O 3.3Å; T62-Y72 WeakPolarHBondContact CA-O 3.48Å; T62-Y72 PolarHBondContact OG1-O 3.45Å; T62-Y72 VanDerWaalsContact OG1-O 3.05Å
63	T	96	Very high	94.9	Very high	65 Å²	65	53 Å²	53	40%	0.399	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	165.6	177.6	60	0	0	0	0	110.3	T61 A71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.36Å; T63-A71 WeakPolarHBondContact O-CA 3.36Å; T63-Y72 PolarHBondContact N-O 2.92Å; T63-Y72 PolarHBondContact O-N 3.28Å
64	A	95.5	Very high	95	Very high	34 Å²	34	55.2 Å²	55.2	28%	0.281	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	141.2	174.7	0	0	0	0	0	110.8	V43 P45	V43-A64 HydrophobicContact CG1-CB 4.27Å; V43-A64 HydrophobicContact CG2-CB 4.44Å; P45-A64 HydrophobicContact CB-CB 3.75Å; P45-A64 HydrophobicContact CG-CB 3.96Å
65	D	94.9	Very high	95	Very high	53 Å²	53	50.3 Å²	50.3	28%	0.283	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	107.2	168	174.7	9.2	0	0	0	108.8	S67 S68 N69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.28Å; D65-S67 PolarHBondContact O-N 3.27Å; D65-S67 WeakPolarHBondContact OD1-CB 3.41Å; D65-S67 PolarHBondContact OD1-N 2.86Å; D65-S67 PolarHBondContact OD1-OG 2.8Å; D65-S67 PolarHBondContact OD2-OG 2.91Å; D65-S68 WeakPolarHBondContact CB-OG 3.37Å; D65-S68 PolarHBondContact OD1-N 3.1Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.47Å; D65-S68 PolarHBondContact OD2-OG 2.9Å; D65-N69 PolarHBondContact O-N 2.92Å; D65-T70 PolarHBondContact N-O 2.81Å; D65-T70 PolarHBondContact O-N 2.89Å; D65-Y72 HydrophobicContact CB-CE2 3.99Å
66	T	93.6	Very high	95.2	Very high	50 Å²	50	45 Å²	45	31%	0.307	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-17.4	-177	64.6	0	0	0	0	112.9	I21 K22 P45	I21-T66 HydrophobicContact CG2-CG2 4.15Å; K22-T66 HydrophobicContact CD-CG2 4.12Å; K22-T66 VanDerWaalsContact CE-CG2 3.43Å; K22-T66 WeakPolarHBondContact CE-OG1 3.23Å; K22-T66 HydrophobicContact CG-CG2 3.52Å; P45-T66 HydrophobicContact CB-CG2 4.01Å; P45-T66 WeakPolarHBondContact O-CG2 3.37Å
67	S	93.1	Very high	95.1	Very high	107 Å²	107	47.9 Å²	47.9	75%	0.748	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-37.3	176.7	73.6	0	0	0	0	111.5	D65	D65-S67 VanDerWaalsContact C-N 3.28Å; D65-S67 PolarHBondContact O-N 3.27Å; D65-S67 WeakPolarHBondContact OD1-CB 3.41Å; D65-S67 PolarHBondContact OD1-N 2.86Å; D65-S67 PolarHBondContact OD1-OG 2.8Å; D65-S67 PolarHBondContact OD2-OG 2.91Å
68	S	94.8	Very high	94.9	Very high	39 Å²	39	42.4 Å²	42.4	27%	0.273	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	1.8	178.1	66.9	0	0	0	0	113.7	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.37Å; D65-S68 PolarHBondContact OD1-N 3.1Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.47Å; D65-S68 PolarHBondContact OD2-OG 2.9Å; S68-T70 PolarHBondContact O-N 2.87Å; S68-T70 PolarHBondContact O-OG1 2.79Å; S68-T70 WeakPolarHBondContact OG-CB 3.46Å; S68-T70 PolarHBondContact OG-OG1 2.98Å
69	N	93.6	Very high	94.8	Very high	27 Å²	27	40.6 Å²	40.6	14%	0.144	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	39.3	-177.8	-145.9	46.8	0	0	0	112.6	Y16 F19 I21 D65	Y16-N69 WeakPolarHBondContact CB-ND2 3.35Å; Y16-N69 PolarHBondContact N-O 3.23Å; Y16-N69 PolarHBondContact O-ND2 2.78Å; F19-N69 PolarHBondContact O-ND2 3.02Å; I21-N69 WeakPolarHBondContact CB-OD1 3.14Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.4Å; I21-N69 PolarHBondContact N-OD1 2.76Å; D65-N69 PolarHBondContact O-N 2.92Å
70	T	95.6	Very high	94.5	Very high	11 Å²	11	42.6 Å²	42.6	7%	0.067	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.6	-170.6	-56.5	0	0	0	0	111.1	C14 K15 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.43Å; C14-T70 WeakPolarHBondContact O-CA 3.44Å; K15-T70 HydrophobicContact CB-CG2 4.43Å; D65-T70 PolarHBondContact N-O 2.81Å; D65-T70 PolarHBondContact O-N 2.89Å; S68-T70 PolarHBondContact O-N 2.87Å; S68-T70 PolarHBondContact O-OG1 2.79Å; S68-T70 WeakPolarHBondContact OG-CB 3.46Å; S68-T70 PolarHBondContact OG-OG1 2.98Å; T70-Y72 HydrophobicContact CG2-CD1 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 4.02Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.47Å
71	A	95.4	Very high	94	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	153	169.3	0	0	0	0	0	111.1	S13 C14 I21 M26 W28 T63	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å; C14-A71 PolarHBondContact N-O 3.04Å; C14-A71 PolarHBondContact O-N 3.01Å; I21-A71 HydrophobicContact CD1-CB 4.05Å; M26-A71 HydrophobicContact CB-CB 4.48Å; M26-A71 HydrophobicContact CG-CB 3.56Å; M26-A71 HydrophobicContact SD-CB 4.32Å; W28-A71 HydrophobicContact CZ2-CB 4.18Å; T63-A71 WeakPolarHBondContact O-CA 3.36Å
72	Y	96.9	Very high	93.7	Very high	51 Å²	51	45.7 Å²	45.7	20%	0.2	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147.4	178.6	-55.3	-80.9	0	0	0	111.4	K11 L12 T62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.47Å; K11-Y72 VanDerWaalsContact CE-CD1 3.4Å; K11-Y72 VanDerWaalsContact CE-CG 3.5Å; K11-Y72 HydrophobicContact CG-CD1 4.46Å; L12-Y72 VanDerWaalsContact O-CA 3.26Å; L12-Y72 WeakPolarHBondContact O-CA 3.34Å; T62-Y72 VanDerWaalsContact CA-O 3.3Å; T62-Y72 WeakPolarHBondContact CA-O 3.48Å; T62-Y72 PolarHBondContact OG1-O 3.45Å; T62-Y72 VanDerWaalsContact OG1-O 3.05Å; T63-Y72 PolarHBondContact N-O 2.92Å; T63-Y72 PolarHBondContact O-N 3.28Å; D65-Y72 HydrophobicContact CB-CE2 3.99Å; T70-Y72 HydrophobicContact CG2-CD1 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 4.02Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.47Å
73	L	97.6	Very high	93.4	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	115.9	168.1	171.8	65.3	0	0	0	108	K11 L12 W28 I40 A60 L75 Y86	K11-L73 CarbonylContact C-O 3.59Å; K11-L73 WeakPolarHBondContact CA-O 3.36Å; L12-L73 HydrophobicContact CB-CB 4.4Å; L12-L73 HydrophobicContact CD1-CD2 4.28Å; L12-L73 PolarHBondContact N-O 2.81Å; L12-L73 PolarHBondContact O-N 2.82Å; W28-L73 HydrophobicContact CB-CD2 4.06Å; W28-L73 HydrophobicContact CD2-CB 3.51Å; W28-L73 HydrophobicContact CD2-CD2 3.84Å; W28-L73 HydrophobicContact CD2-CG 4.22Å; W28-L73 HydrophobicContact CE3-CB 3.76Å; W28-L73 HydrophobicContact CE3-CD2 3.69Å; W28-L73 HydrophobicContact CE3-CG 4.37Å; W28-L73 HydrophobicContact CG-CB 4.04Å; W28-L73 HydrophobicContact CG-CD1 4.48Å; W28-L73 HydrophobicContact CG-CD2 4.01Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CH2-CB 3.94Å; W28-L73 HydrophobicContact CZ2-CB 3.74Å; W28-L73 HydrophobicContact CZ3-CB 3.96Å; W28-L73 HydrophobicContact CZ3-CD2 4.39Å; I40-L73 HydrophobicContact CD1-CD2 3.78Å; I40-L73 HydrophobicContact CG2-CD1 4.26Å; A60-L73 HydrophobicContact CB-CD1 3.97Å; L73-L75 HydrophobicContact CD1-CD2 4.13Å; L73-L75 HydrophobicContact CD1-CG 4.49Å; L73-L75 HydrophobicContact CD2-CD1 4.34Å; L73-L75 HydrophobicContact CD2-CD2 4.29Å; L73-L75 HydrophobicContact CD2-CG 4.27Å; L73-L75 HydrophobicContact CG-CD2 4.24Å; L73-L75 HydrophobicContact CG-CG 4.11Å; L73-Y86 HydrophobicContact CD2-CD1 4.19Å
74	Q	96.8	Very high	93.2	Very high	89 Å²	89	49 Å²	49	42%	0.416	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	127.5	170	-176.8	171.9	-7.4	0	0	109	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.37Å; V10-Q74 VanDerWaalsContact O-CA 3.31Å; V10-Q74 WeakPolarHBondContact O-CA 3.34Å; A60-Q74 WeakPolarHBondContact CA-O 3.39Å; T61-Q74 PolarHBondContact N-O 3.33Å; T61-Q74 PolarHBondContact O-N 3.42Å
75	L	95.6	Very high	93.1	Very high	3 Å²	3	51 Å²	51	2%	0.016	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.2	172.9	-62.3	167.6	0	0	0	108.2	S9 V10 K59 A60 L73 L78 Y86	S9-L75 CarbonylContact C-O 3.56Å; S9-L75 WeakPolarHBondContact CA-O 3.09Å; S9-L75 WeakPolarHBondContact CB-O 3.3Å; V10-L75 HydrophobicContact CG1-CB 3.92Å; V10-L75 HydrophobicContact CG1-CD1 4.21Å; V10-L75 HydrophobicContact CG1-CG 4.47Å; V10-L75 PolarHBondContact N-O 3.22Å; V10-L75 PolarHBondContact O-N 2.8Å; K59-L75 WeakPolarHBondContact O-CA 3.26Å; A60-L75 HydrophobicContact CB-CD2 3.9Å; L73-L75 HydrophobicContact CD1-CD2 4.13Å; L73-L75 HydrophobicContact CD1-CG 4.49Å; L73-L75 HydrophobicContact CD2-CD1 4.34Å; L73-L75 HydrophobicContact CD2-CD2 4.29Å; L73-L75 HydrophobicContact CD2-CG 4.27Å; L73-L75 HydrophobicContact CG-CD2 4.24Å; L73-L75 HydrophobicContact CG-CG 4.11Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.28Å; L75-Y86 HydrophobicContact CD1-CD1 4.15Å; L75-Y86 HydrophobicContact CD1-CE1 3.46Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.46Å; L75-Y86 HydrophobicContact CD1-CE2 4.34Å
76	S	94.4	Very high	93.1	Very high	37 Å²	37	50.7 Å²	50.7	26%	0.259	30%	0.301	S	S	.	.			trans	-106.7	158.1	177.8	62.5	0	0	0	0	111.9	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.26Å; K59-S76 PolarHBondContact O-N 3.02Å; K59-S76 PolarHBondContact O-OG 2.96Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 3.05Å
77	S	91.9	Very high	93.2	Very high	73 Å²	73	53.4 Å²	53.4	51%	0.51	31%	0.306	S	S	.	.	S	Bend	trans	52.5	49.4	174	-57.1	0	0	0	0	113	A8 T79	A8-S77 PolarHBondContact O-N 2.79Å; S77-T79 PolarHBondContact O-N 2.87Å
78	L	90.9	Very high	93.2	Very high	14 Å²	14	50.3 Å²	50.3	7%	0.073	28%	0.284	C	S	.	.			trans	-60.3	135.7	-175.3	-68.5	173	0	0	0	112	V4 G7 A8 V10 L75 S76 D82	V4-L78 HydrophobicContact CB-CD1 4.11Å; V4-L78 HydrophobicContact CG2-CD1 3.47Å; V4-L78 VanDerWaalsContact CG2-CD1 3.47Å; G7-L78 PolarHBondContact N-O 3.36Å; A8-L78 WeakPolarHBondContact O-CG 3.49Å; A8-L78 PolarHBondContact O-N 3.04Å; A8-L78 VanDerWaalsContact O-N 3.11Å; V10-L78 HydrophobicContact CB-CD1 4.02Å; V10-L78 HydrophobicContact CG1-CD1 3.73Å; V10-L78 HydrophobicContact CG1-CD2 4.25Å; V10-L78 HydrophobicContact CG1-CG 4.45Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.28Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 3.05Å; L78-D82 HydrophobicContact CD2-CB 3.74Å
79	T	90.4	Very high	93	Very high	60 Å²	60	49.6 Å²	49.6	37%	0.368	28%	0.281	S	S	.	.			trans	-115.1	174	173.1	65.7	0	0	0	0	110.9	S77 E81 D82	S77-T79 PolarHBondContact O-N 2.87Å; T79-E81 PolarHBondContact O-N 2.91Å; T79-D82 PolarHBondContact N-OD2 3.46Å; T79-D82 VanDerWaalsContact N-OD2 3.16Å; T79-D82 WeakPolarHBondContact O-CB 3.37Å; T79-D82 PolarHBondContact O-N 3.28Å; T79-D82 PolarHBondContact OG1-OD2 3.46Å
80	S	87.2	Confident	92.5	Very high	101 Å²	101	51 Å²	51	71%	0.706	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-56.1	-32.5	174.8	49.6	0	0	0	0	112.5	D82 T83	S80-D82 PolarHBondContact O-N 2.76Å; S80-T83 VanDerWaalsContact O-CB 3.29Å; S80-T83 WeakPolarHBondContact O-CB 3.19Å; S80-T83 PolarHBondContact O-N 2.9Å; S80-T83 VanDerWaalsContact O-N 3.11Å; S80-T83 PolarHBondContact O-OG1 2.82Å
81	E	86.7	Confident	91.2	Very high	123 Å²	123	59 Å²	59	58%	0.575	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-64.2	-21.6	176.3	-60.8	-178.9	178.7	0	0	113.4	K30 R32 T79 T83	K30-E81 WeakPolarHBondContact CE-O 3.02Å; K30-E81 PolarHBondContact NZ-O 2.97Å; R32-E81 VanDerWaalsContact CZ-O 3.31Å; R32-E81 PolarHBondContact NH1-O 3Å; T79-E81 PolarHBondContact O-N 2.91Å; E81-T83 PolarHBondContact O-N 2.81Å
82	D	89.6	Confident	89.5	Confident	16 Å²	16	62.3 Å²	62.3	9%	0.086	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-83.6	1.3	177.4	-63.2	-44.7	0	0	0	112.8	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.04Å; K30-D82 PolarHBondContact NZ-OD1 2.91Å; K30-D82 VanDerWaalsContact NZ-OD1 3.08Å; K59-D82 IonicContact NZ-OD2 3Å; K59-D82 PolarHBondContact NZ-OD2 2.85Å; L78-D82 HydrophobicContact CD2-CB 3.74Å; T79-D82 PolarHBondContact N-OD2 3.46Å; T79-D82 VanDerWaalsContact N-OD2 3.16Å; T79-D82 WeakPolarHBondContact O-CB 3.37Å; T79-D82 PolarHBondContact O-N 3.28Å; T79-D82 PolarHBondContact OG1-OD2 3.46Å; S80-D82 PolarHBondContact O-N 2.76Å; D82-A84 PolarHBondContact O-N 3.1Å; D82-A84 VanDerWaalsContact O-N 3.09Å; D82-Y86 WeakPolarHBondContact O-CE2 3.24Å; D82-Y86 PolarHBondContact O-OH 2.8Å
83	T	90.6	Very high	87.5	Confident	112 Å²	112	63.9 Å²	63.9	69%	0.687	34%	0.344	S	S	*	.			trans	-73	103.1	171.2	-50	0	0	0	0	109.9	S80 E81	S80-T83 VanDerWaalsContact O-CB 3.29Å; S80-T83 WeakPolarHBondContact O-CB 3.19Å; S80-T83 PolarHBondContact O-N 2.9Å; S80-T83 VanDerWaalsContact O-N 3.11Å; S80-T83 PolarHBondContact O-OG1 2.82Å; E81-T83 PolarHBondContact O-N 2.81Å
84	A	92.7	Very high	85.1	Confident	28 Å²	28	67.2 Å²	67.2	23%	0.231	37%	0.367	C	S	.	.	S	Bend	trans	-158.9	170.7	-174.6	0	0	0	0	0	110.8	K30 Q31 R32 D82 Y86	K30-A84 HydrophobicContact CD-CB 4.1Å; K30-A84 HydrophobicContact CG-CB 3.42Å; K30-A84 VanDerWaalsContact CG-CB 3.42Å; Q31-A84 WeakPolarHBondContact O-CB 3.35Å; R32-A84 HydrophobicContact CG-CB 4.06Å; D82-A84 PolarHBondContact O-N 3.1Å; D82-A84 VanDerWaalsContact O-N 3.09Å; A84-Y86 HydrophobicContact CB-CD2 4.49Å; A84-Y86 HydrophobicContact CB-CE2 3.95Å; A84-Y86 WeakPolarHBondContact O-CD2 3.07Å
85	V	93.8	Very high	82.8	Confident	76 Å²	76	73.4 Å²	73.4	46%	0.461	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	134.5	164.1	-171	0	0	0	0	108.3	Q31 Y87	Q31-V85 PolarHBondContact N-O 3.2Å; Q31-V85 PolarHBondContact O-N 3.07Å; V85-Y87 HydrophobicContact CB-CE2 3.83Å; V85-Y87 HydrophobicContact CG1-CD2 4.24Å; V85-Y87 HydrophobicContact CG1-CE1 4.05Å; V85-Y87 HydrophobicContact CG1-CE2 3.49Å; V85-Y87 VanDerWaalsContact CG1-CE2 3.49Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.16Å
86	Y	94.9	Very high	80.1	Confident	47 Å²	47	79.8 Å²	79.8	18%	0.184	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130.3	-179.3	-70.2	-94.7	0	0	0	109.7	L12 V29 K30 I40 L73 L75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.12Å; L12-Y86 HydrophobicContact CD1-CD2 4.13Å; L12-Y86 HydrophobicContact CD1-CG 3.66Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.46Å; K30-Y86 HydrophobicContact CB-CD1 4.31Å; K30-Y86 HydrophobicContact CB-CE1 4.04Å; K30-Y86 HydrophobicContact CD-CE1 4.22Å; K30-Y86 HydrophobicContact CG-CD1 4.47Å; K30-Y86 HydrophobicContact CG-CE1 3.92Å; I40-Y86 HydrophobicContact CD1-CD1 3.62Å; I40-Y86 HydrophobicContact CD1-CE1 3.65Å; L73-Y86 HydrophobicContact CD2-CD1 4.19Å; L75-Y86 HydrophobicContact CD1-CD1 4.15Å; L75-Y86 HydrophobicContact CD1-CE1 3.46Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.46Å; L75-Y86 HydrophobicContact CD1-CE2 4.34Å; D82-Y86 WeakPolarHBondContact O-CE2 3.24Å; D82-Y86 PolarHBondContact O-OH 2.8Å; A84-Y86 HydrophobicContact CB-CD2 4.49Å; A84-Y86 HydrophobicContact CB-CE2 3.95Å; A84-Y86 WeakPolarHBondContact O-CD2 3.07Å
87	Y	94.1	Very high	79.4	Confident	106 Å²	106	82 Å²	82	42%	0.416	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145	-178.8	-62.3	-83.4	0	0	0	110.7	W28 V29 Q31 V85	W28-Y87 WeakPolarHBondContact CA-O 3.32Å; V29-Y87 PolarHBondContact N-O 3Å; V29-Y87 PolarHBondContact O-N 3.32Å; Q31-Y87 HydrophobicContact CB-CD2 4.16Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.23Å; Q31-Y87 PolarHBondContact OE1-OH 3.05Å; V85-Y87 HydrophobicContact CB-CE2 3.83Å; V85-Y87 HydrophobicContact CG1-CD2 4.24Å; V85-Y87 HydrophobicContact CG1-CE1 4.05Å; V85-Y87 HydrophobicContact CG1-CE2 3.49Å; V85-Y87 VanDerWaalsContact CG1-CE2 3.49Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.16Å
88	C	93.3	Very high	78.8	Confident	43 Å²	43	82.4 Å²	82.4	29%	0.291	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	144.3	163.6	54.2	0	0	0	0	109.2	C14 M26 Y27 W28	C14-C88 HydrophobicContact CB-CB 3.48Å; C14-C88 VanDerWaalsContact CB-CB 3.48Å; C14-C88 WeakPolarHBondContact CB-SG 3.45Å; C14-C88 WeakPolarHBondContact SG-CB 3.46Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.28Å; M26-C88 HydrophobicContact SD-CB 4.09Å; Y27-C88 CarbonylContact O-C 3.59Å; Y27-C88 VanDerWaalsContact O-CA 3.23Å; Y27-C88 WeakPolarHBondContact O-CA 3.5Å; W28-C88 HydrophobicContact CD2-CB 4.47Å; W28-C88 HydrophobicContact CE3-CB 4.18Å; W28-C88 HydrophobicContact CH2-CB 4.18Å; W28-C88 HydrophobicContact CZ2-CB 4.44Å; W28-C88 HydrophobicContact CZ3-CB 4.03Å
89	A	90.3	Very high	78.1	Confident	24 Å²	24	86.2 Å²	86.2	20%	0.198	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	160.1	177.4	0	0	0	0	0	111.6	Y16 Y27 F92	Y16-A89 PolarHBondContact OH-N 2.96Å; Y27-A89 WeakPolarHBondContact CB-O 3.43Å; Y27-A89 PolarHBondContact N-O 2.62Å; Y27-A89 PolarHBondContact O-N 3.41Å; A89-F92 HydrophobicContact CB-CD2 3.79Å; A89-F92 HydrophobicContact CB-CE2 3.56Å
90	N	83.2	Confident	77.4	Confident	57 Å²	57	87.8 Å²	87.8	31%	0.305	49%	0.489	S	S	.	.	S	Bend	trans	-114.8	-1.5	179.6	64.4	-22.3	0	0	0	113.8	Y16 F19 T24 Y25	Y16-N90 HydrophobicContact CE1-CB 4.45Å; F19-N90 VanDerWaalsContact CZ-ND2 3.32Å; F19-N90 WeakPolarHBondContact CZ-ND2 3.14Å; T24-N90 HydrophobicContact CG2-CB 3.99Å; T24-N90 WeakPolarHBondContact OG1-CB 3.31Å; T24-N90 PolarHBondContact OG1-O 3.08Å; Y25-N90 WeakPolarHBondContact O-CA 3.33Å
91	W	69.3	Low	76.8	Confident	179 Å²	179	86.9 Å²	86.9	68%	0.678	48%	0.475	S	S	*	.			trans	-108	2.6	-167.6	-168.5	-94.3	0	0	0	115.5	D93 S94	W91-D93 PolarHBondContact O-N 3.46Å; W91-S94 WeakPolarHBondContact CZ2-OG 3.37Å; W91-S94 PolarHBondContact NE1-OG 3.46Å; W91-S94 VanDerWaalsContact NE1-OG 3.1Å; W91-S94 PolarHBondContact O-N 3.32Å
92	F	60	Low	76.1	Confident	68 Å²	68	84.5 Å²	84.5	30%	0.298	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-66.9	-6	-175.1	-79.5	-81.1	0	0	0	114.7	Y27 V29 A89 S94 W95	Y27-F92 VanDerWaalsContact CB-CD2 3.49Å; Y27-F92 HydrophobicContact CD1-CB 3.64Å; Y27-F92 HydrophobicContact CD1-CD2 4.29Å; Y27-F92 HydrophobicContact CD1-CG 4.23Å; Y27-F92 HydrophobicContact CD2-CB 3.71Å; Y27-F92 HydrophobicContact CD2-CD2 4.18Å; Y27-F92 HydrophobicContact CD2-CG 4.43Å; Y27-F92 HydrophobicContact CE1-CB 3.85Å; Y27-F92 HydrophobicContact CE2-CB 3.84Å; Y27-F92 HydrophobicContact CG-CB 3.62Å; Y27-F92 AromaticContact CG-CD2 3.74Å; Y27-F92 HydrophobicContact CG-CD2 3.74Å; Y27-F92 HydrophobicContact CG-CG 4.06Å; V29-F92 HydrophobicContact CG2-CD2 4.38Å; V29-F92 HydrophobicContact CG2-CE2 3.5Å; V29-F92 VanDerWaalsContact CG2-CE2 3.5Å; V29-F92 HydrophobicContact CG2-CZ 3.59Å; A89-F92 HydrophobicContact CB-CD2 3.79Å; A89-F92 HydrophobicContact CB-CE2 3.56Å; F92-S94 PolarHBondContact O-N 2.79Å; F92-W95 PolarHBondContact O-N 2.89Å
93	D	54.3	Low	75.1	Confident	85 Å²	85	89.4 Å²	89.4	46%	0.455	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-63.9	-17.5	172.8	-57.5	-26.3	0	0	0	113.4	Y27 W91	Y27-D93 WeakPolarHBondContact CE2-OD1 3.37Å; Y27-D93 PolarHBondContact OH-OD1 2.63Å; W91-D93 PolarHBondContact O-N 3.46Å
94	S	48	Very low	73.9	Confident	70 Å²	70	87.7 Å²	87.7	49%	0.49	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-88.3	0.9	-178.1	-52.6	0	0	0	0	114.7	W91 F92	W91-S94 WeakPolarHBondContact CZ2-OG 3.37Å; W91-S94 PolarHBondContact NE1-OG 3.46Å; W91-S94 VanDerWaalsContact NE1-OG 3.1Å; W91-S94 PolarHBondContact O-N 3.32Å; F92-S94 PolarHBondContact O-N 2.79Å
95	W	48.5	Very low	72.4	Confident	219 Å²	219	92.7 Å²	92.7	83%	0.83	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-115.9	14.2	-176.3	-65.7	87.3	0	0	0	113.3	F92	F92-W95 PolarHBondContact O-N 2.89Å
96	G	39	Very low	70.4	Confident	138 Å²	138	94.2 Å²	94.2	100%	1.423	51%	0.506	S	S	*	.			trans	-93	0	175.8	0	0	0	0	0	112.8

Retrieved 96 of 96 residues in 25.5 ms (Link to these results)

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