X5J557_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J557, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 94 aa.

						>X5J557_MOUSE|X5J557
AELVKPGASVKLSCKASGYTFTSYYMHWVKQRPGQGLEWIGEINPSNGGTNYNEKFKSKATLTVDKSSSTAYMQLSSLTCEDSAVYYCTTNWGY
					

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(Predicted Aligned Error values between residue pairs)

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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	66.2	Low	87.1	Confident	155 Å²	155	98.5 Å²	98.5	100%	1.281	59%	0.59	S	S	*	*				0	134	0	0	0	0	0	0	107.6
2	E	76.2	Confident	87.9	Confident	126 Å²	126	93.7 Å²	93.7	59%	0.589	56%	0.558	S	S	*	*			trans	-109.5	125.1	-179.2	-165.5	174.9	168.9	0	0	108.6	V4 V10	E2-V4 HydrophobicContact CG-CG1 4.06Å; E2-V10 VanDerWaalsContact CD-CG2 3.41Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.36Å; E2-V10 VanDerWaalsContact OE2-CG2 3.22Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.44Å
3	L	83.6	Confident	88.7	Confident	176 Å²	176	92.8 Å²	92.8	92%	0.921	56%	0.56	S	S	*	*			trans	-105.4	120	176.9	-69.4	173.5	0	0	0	108.3
4	V	87.3	Confident	89.3	Confident	63 Å²	63	87.3 Å²	87.3	38%	0.382	53%	0.527	S	S	.	.			trans	-124.9	150.1	-176.5	-65	0	0	0	0	110.2	E2 A8 L78	E2-V4 HydrophobicContact CG-CG1 4.06Å; V4-A8 HydrophobicContact CB-CB 4.44Å; V4-L78 HydrophobicContact CB-CD1 4.45Å; V4-L78 HydrophobicContact CG2-CD1 3.45Å; V4-L78 VanDerWaalsContact CG2-CD1 3.45Å
5	K	87.7	Confident	89.8	Confident	173 Å²	173	91.9 Å²	91.9	75%	0.752	54%	0.538	S	S	*	.			trans	-71	147.2	176.4	-63.3	-178	-178	178.5	0	109.9	A8	K5-A8 WeakPolarHBondContact O-CB 3.44Å; K5-A8 PolarHBondContact O-N 3.27Å; K5-A8 VanDerWaalsContact O-N 3.11Å
6	P	88.5	Confident	90.1	Very high	106 Å²	106	86.9 Å²	86.9	69%	0.688	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	141.9	168.8	-25	34.3	0	0	0	111.5	A8	P6-A8 PolarHBondContact O-N 3.28Å
7	G	89.9	Confident	90.3	Very high	51 Å²	51	87.8 Å²	87.8	53%	0.526	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	-11.9	-176	0	0	0	0	0	114.9	L78	G7-L78 PolarHBondContact N-O 3.39Å
8	A	93.1	Very high	90.4	Very high	35 Å²	35	87.9 Å²	87.9	29%	0.289	54%	0.544	S	S	.	.			trans	-71	166.6	173.9	0	0	0	0	0	111.7	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.44Å; K5-A8 WeakPolarHBondContact O-CB 3.44Å; K5-A8 PolarHBondContact O-N 3.27Å; K5-A8 VanDerWaalsContact O-N 3.11Å; P6-A8 PolarHBondContact O-N 3.28Å; A8-S77 PolarHBondContact O-N 3.02Å; A8-L78 WeakPolarHBondContact O-CB 3.26Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.36Å; A8-L78 PolarHBondContact O-N 2.8Å
9	S	94.6	Very high	90.4	Very high	64 Å²	64	87.4 Å²	87.4	45%	0.448	53%	0.532	S	S	.	.			trans	-109.9	146.1	169.9	-55.4	0	0	0	0	109.9	L75 S76	S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.35Å; S9-L75 VanDerWaalsContact CB-O 3.31Å; S9-L75 WeakPolarHBondContact CB-O 3.4Å; S9-S76 WeakPolarHBondContact OG-CA 3.4Å
10	V	95.1	Very high	90.6	Very high	15 Å²	15	87.5 Å²	87.5	9%	0.091	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.9	174.9	71.1	0	0	0	0	109.9	E2 L12 Q74 L75 L78	E2-V10 VanDerWaalsContact CD-CG2 3.41Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.36Å; E2-V10 VanDerWaalsContact OE2-CG2 3.22Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.44Å; V10-L12 HydrophobicContact CG2-CD2 4.32Å; V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.45Å; V10-L75 HydrophobicContact CG1-CB 4.07Å; V10-L75 HydrophobicContact CG1-CD1 4.31Å; V10-L75 PolarHBondContact N-O 2.85Å; V10-L75 PolarHBondContact O-N 2.87Å; V10-L78 HydrophobicContact CB-CD1 3.95Å; V10-L78 HydrophobicContact CG1-CD1 3.72Å; V10-L78 HydrophobicContact CG1-CD2 4.48Å
11	K	96.4	Very high	90.8	Very high	120 Å²	120	83.8 Å²	83.8	52%	0.522	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	109.1	174.3	-172.7	179.8	-179	-176.4	0	109.7	Y72	K11-Y72 HydrophobicContact CD-CD1 4.36Å; K11-Y72 VanDerWaalsContact CE-CD1 3.43Å; K11-Y72 VanDerWaalsContact CE-CG 3.48Å; K11-Y72 HydrophobicContact CG-CD1 4.36Å
12	L	96.8	Very high	92.1	Very high	40 Å²	40	79.2 Å²	79.2	21%	0.209	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	147.1	174.3	-58.6	176	0	0	0	109.8	V10 W28 Y72 M73 Y86	V10-L12 HydrophobicContact CG2-CD2 4.32Å; L12-W28 HydrophobicContact CB-CH2 4.08Å; L12-W28 HydrophobicContact CB-CZ3 3.87Å; L12-W28 HydrophobicContact CD1-CZ3 4.49Å; L12-Y72 WeakPolarHBondContact O-CA 3.37Å; L12-M73 HydrophobicContact CD1-CE 3.65Å; L12-M73 PolarHBondContact N-O 2.92Å; L12-M73 PolarHBondContact O-N 2.8Å; L12-Y86 HydrophobicContact CD1-CD1 4.24Å; L12-Y86 HydrophobicContact CD1-CD2 4.08Å; L12-Y86 HydrophobicContact CD1-CG 3.73Å
13	S	97.5	Very high	93	Very high	83 Å²	83	76.9 Å²	76.9	58%	0.58	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.1	177.8	68.4	0	0	0	0	110.8	A71 Y72	S13-A71 CarbonylContact C-O 3.5Å; S13-A71 WeakPolarHBondContact CA-O 3.31Å; S13-Y72 VanDerWaalsContact CB-CD1 3.47Å; S13-Y72 VanDerWaalsContact CB-CE1 3.42Å
14	C	97.2	Very high	93.4	Very high	15 Å²	15	74 Å²	74	10%	0.101	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	106.1	177.1	179.8	0	0	0	0	109	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.79Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.12Å; C14-A71 PolarHBondContact N-O 2.77Å; C14-A71 PolarHBondContact O-N 2.75Å; C14-C88 HydrophobicContact CB-CB 3.49Å; C14-C88 VanDerWaalsContact CB-CB 3.49Å; C14-C88 WeakPolarHBondContact CB-SG 3.48Å; C14-C88 WeakPolarHBondContact SG-CB 3.4Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.46Å
15	K	96.9	Very high	93.8	Very high	157 Å²	157	76.2 Å²	76.2	68%	0.683	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	120.8	179.5	-172.7	175	-176.9	178.9	0	110	T70	K15-T70 HydrophobicContact CB-CG2 4.48Å
16	A	94.6	Very high	94.2	Very high	11 Å²	11	68.1 Å²	68.1	9%	0.091	41%	0.408	C	S	.	.			trans	-79.9	149.1	175.5	0	0	0	0	0	111.4	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.99Å; A16-Y19 HydrophobicContact CB-CE2 4.17Å; A16-Y19 WeakPolarHBondContact CB-OH 3.45Å; A16-F21 HydrophobicContact CB-CB 4.33Å; A16-F21 HydrophobicContact CB-CD2 3.34Å; A16-F21 HydrophobicContact CB-CE2 3.93Å; A16-F21 HydrophobicContact CB-CG 4.14Å; A16-S69 PolarHBondContact N-O 2.99Å
17	S	93.9	Very high	94.6	Very high	102 Å²	102	64 Å²	64	71%	0.713	38%	0.38	S	S	*	.			trans	-154	154.8	172.7	63.7	0	0	0	0	110.6	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.47Å; S17-Y19 WeakPolarHBondContact O-CE1 3.38Å; S17-Y19 PolarHBondContact O-N 2.96Å
18	G	92.7	Very high	95	Very high	90 Å²	90	61.8 Å²	61.8	93%	0.928	36%	0.355	S	S	*	.	S	Bend	trans	82.5	4	177.1	0	0	0	0	0	115.7
19	Y	90.2	Very high	95.2	Very high	79 Å²	79	60.3 Å²	60.3	31%	0.31	34%	0.342	S	S	.	.	S	Bend	trans	-155	167.4	176.1	62.8	-86.6	0	0	0	111.4	A16 S17 F21 Y24 T90	A16-Y19 HydrophobicContact CB-CE1 3.99Å; A16-Y19 HydrophobicContact CB-CE2 4.17Å; A16-Y19 WeakPolarHBondContact CB-OH 3.45Å; S17-Y19 WeakPolarHBondContact O-CD1 3.47Å; S17-Y19 WeakPolarHBondContact O-CE1 3.38Å; S17-Y19 PolarHBondContact O-N 2.96Å; Y19-F21 PolarHBondContact O-N 3.12Å; Y19-F21 VanDerWaalsContact O-N 3.12Å; Y19-Y24 AromaticContact CD2-CD2 3.47Å; Y19-Y24 HydrophobicContact CD2-CD2 3.47Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.47Å; Y19-Y24 AromaticContact CD2-CE2 3.87Å; Y19-Y24 HydrophobicContact CD2-CE2 3.87Å; Y19-Y24 HydrophobicContact CD2-CG 4.49Å; Y19-Y24 AromaticContact CE2-CD2 3.82Å; Y19-Y24 HydrophobicContact CE2-CD2 3.82Å; Y19-Y24 HydrophobicContact CE2-CG 4.47Å; Y19-Y24 HydrophobicContact CG-CD2 4.33Å; Y19-Y24 HydrophobicContact CG-CE2 4.35Å; Y19-T90 HydrophobicContact CE1-CG2 4.32Å; Y19-T90 HydrophobicContact CE2-CG2 3.97Å; Y19-T90 WeakPolarHBondContact OH-CG2 2.88Å
20	T	94.1	Very high	95.2	Very high	89 Å²	89	57.3 Å²	57.3	55%	0.546	32%	0.321	S	S	.	.			trans	-69.9	104.4	172.5	-58	0	0	0	0	109.6	T22 S23	T20-T22 WeakPolarHBondContact CG2-OG1 3.21Å; T20-T22 PolarHBondContact O-N 3.5Å; T20-T22 VanDerWaalsContact O-N 3.07Å; T20-S23 WeakPolarHBondContact CB-OG 3.44Å; T20-S23 WeakPolarHBondContact CG2-OG 2.97Å; T20-S23 VanDerWaalsContact O-CB 3.31Å; T20-S23 WeakPolarHBondContact O-CB 3.06Å; T20-S23 PolarHBondContact O-N 3.17Å
21	F	93.6	Very high	95.3	Very high	9 Å²	9	59.8 Å²	59.8	4%	0.039	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-52.7	-34.7	-173.7	177.3	-125.2	0	0	0	114	A16 Y19 S23 M26 P45 V64 A71	A16-F21 HydrophobicContact CB-CB 4.33Å; A16-F21 HydrophobicContact CB-CD2 3.34Å; A16-F21 HydrophobicContact CB-CE2 3.93Å; A16-F21 HydrophobicContact CB-CG 4.14Å; Y19-F21 PolarHBondContact O-N 3.12Å; Y19-F21 VanDerWaalsContact O-N 3.12Å; F21-S23 VanDerWaalsContact C-N 3.28Å; F21-S23 PolarHBondContact O-N 3.28Å; F21-M26 HydrophobicContact CE2-CE 3.93Å; F21-P45 HydrophobicContact CD1-CB 3.88Å; F21-P45 HydrophobicContact CD2-CB 4.49Å; F21-P45 HydrophobicContact CD2-CG 4.36Å; F21-P45 HydrophobicContact CE1-CB 3.6Å; F21-P45 HydrophobicContact CE1-CG 4.24Å; F21-P45 HydrophobicContact CE2-CB 4.24Å; F21-P45 HydrophobicContact CE2-CG 3.98Å; F21-P45 HydrophobicContact CG-CB 4.35Å; F21-P45 HydrophobicContact CZ-CB 3.8Å; F21-P45 HydrophobicContact CZ-CG 3.92Å; F21-V64 HydrophobicContact CE1-CB 4.33Å; F21-V64 HydrophobicContact CE1-CG1 4.42Å; F21-V64 HydrophobicContact CZ-CB 4.46Å; F21-V64 HydrophobicContact CZ-CG1 4.13Å; F21-A71 HydrophobicContact CE2-CB 4.45Å; F21-A71 HydrophobicContact CZ-CB 4.1Å
22	T	94.9	Very high	95.1	Very high	59 Å²	59	56.6 Å²	56.6	36%	0.362	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-77.3	-7.3	179.9	52.2	0	0	0	0	114.7	T20	T20-T22 WeakPolarHBondContact CG2-OG1 3.21Å; T20-T22 PolarHBondContact O-N 3.5Å; T20-T22 VanDerWaalsContact O-N 3.07Å
23	S	93.8	Very high	94.8	Very high	78 Å²	78	60.4 Å²	60.4	55%	0.545	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-85.1	-11.7	-178.4	-62.2	0	0	0	0	114.1	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.44Å; T20-S23 WeakPolarHBondContact CG2-OG 2.97Å; T20-S23 VanDerWaalsContact O-CB 3.31Å; T20-S23 WeakPolarHBondContact O-CB 3.06Å; T20-S23 PolarHBondContact O-N 3.17Å; F21-S23 VanDerWaalsContact C-N 3.28Å; F21-S23 PolarHBondContact O-N 3.28Å
24	Y	92.6	Very high	94.4	Very high	116 Å²	116	60.9 Å²	60.9	46%	0.455	36%	0.362	S	S	.	.	S	Bend	trans	-132	146.9	-175.4	-61.9	-87.3	0	0	0	111.2	Y19 P45 T90	Y19-Y24 AromaticContact CD2-CD2 3.47Å; Y19-Y24 HydrophobicContact CD2-CD2 3.47Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.47Å; Y19-Y24 AromaticContact CD2-CE2 3.87Å; Y19-Y24 HydrophobicContact CD2-CE2 3.87Å; Y19-Y24 HydrophobicContact CD2-CG 4.49Å; Y19-Y24 AromaticContact CE2-CD2 3.82Å; Y19-Y24 HydrophobicContact CE2-CD2 3.82Å; Y19-Y24 HydrophobicContact CE2-CG 4.47Å; Y19-Y24 HydrophobicContact CG-CD2 4.33Å; Y19-Y24 HydrophobicContact CG-CE2 4.35Å; Y24-P45 WeakPolarHBondContact O-CD 3.25Å; Y24-P45 VanDerWaalsContact O-CG 3.28Å; Y24-P45 WeakPolarHBondContact O-CG 2.97Å; Y24-T90 HydrophobicContact CG-CG2 4.48Å
25	Y	95.4	Very high	94.1	Very high	108 Å²	108	64.9 Å²	64.9	42%	0.424	38%	0.379	S	S	.	.			trans	-67.6	145.5	167.7	-72.8	-102.5	0	0	0	109.5	E42 N44 T90	Y25-E42 HydrophobicContact CD1-CG 4.07Å; Y25-N44 HydrophobicContact CD1-CB 3.84Å; Y25-N44 HydrophobicContact CE1-CB 3.5Å; Y25-N44 VanDerWaalsContact CE1-CB 3.5Å; Y25-N44 PolarHBondContact OH-ND2 2.8Å; Y25-T90 WeakPolarHBondContact O-CA 3.31Å
26	M	97	Very high	93.8	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.02	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	112.3	168.8	-173.1	64.1	68.3	0	0	108.8	F21 E42 I43 A71 C88 T90	F21-M26 HydrophobicContact CE2-CE 3.93Å; M26-E42 CarbonylContact O-C 3.58Å; M26-E42 VanDerWaalsContact O-CA 3.23Å; M26-E42 WeakPolarHBondContact O-CA 3.44Å; M26-I43 HydrophobicContact CB-CG2 4.02Å; M26-I43 PolarHBondContact N-O 3.34Å; M26-I43 PolarHBondContact O-N 3.07Å; M26-A71 HydrophobicContact CB-CB 4.07Å; M26-A71 HydrophobicContact CG-CB 3.64Å; M26-C88 HydrophobicContact CG-CB 4.41Å; M26-C88 HydrophobicContact SD-CB 3.74Å; M26-T90 HydrophobicContact CE-CG2 4.45Å
27	H	97.4	Very high	93.8	Very high	19 Å²	19	63.8 Å²	63.8	9%	0.088	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	144.9	176.6	-52.6	-91.6	0	0	0	110.4	W39 G41 E42 C88 T89 W92	H27-W39 AromaticContact ND1-NE1 3.55Å; H27-G41 WeakPolarHBondContact CA-O 3.38Å; H27-E42 IonicContact CE1-OE2 2.8Å; H27-E42 PolarHBondContact CE1-OE2 2.84Å; H27-E42 WeakPolarHBondContact ND1-CB 3.48Å; H27-E42 IonicContact ND1-OE2 3.41Å; H27-E42 PolarHBondContact ND1-OE2 2.02Å; H27-C88 VanDerWaalsContact O-CA 3.25Å; H27-C88 WeakPolarHBondContact O-CA 3.32Å; H27-T89 HydrophobicContact CB-CG2 4Å; H27-T89 PolarHBondContact CD2-O 2.62Å; H27-T89 PolarHBondContact N-O 3.4Å; H27-T89 PolarHBondContact O-N 2.59Å; H27-W92 HydrophobicContact CB-CB 3.98Å
28	W	97.8	Very high	93.8	Very high	5 Å²	5	60.7 Å²	60.7	2%	0.019	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.1	174.7	-69.2	88.9	0	0	0	110.2	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.08Å; L12-W28 HydrophobicContact CB-CZ3 3.87Å; L12-W28 HydrophobicContact CD1-CZ3 4.49Å; C14-W28 HydrophobicContact CB-CH2 3.79Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; W28-I40 HydrophobicContact CB-CB 4.16Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3.44Å; W28-I40 PolarHBondContact O-N 3.36Å; W28-G41 PolarHBondContact N-O 2.8Å; W28-L62 HydrophobicContact CG-CD2 4.05Å; W28-A71 HydrophobicContact CZ2-CB 4.24Å; W28-M73 HydrophobicContact CB-CE 4.43Å; W28-M73 HydrophobicContact CB-SD 3.78Å; W28-M73 HydrophobicContact CD2-CB 3.6Å; W28-M73 HydrophobicContact CD2-CE 4.17Å; W28-M73 HydrophobicContact CD2-CG 4.4Å; W28-M73 HydrophobicContact CD2-SD 4.01Å; W28-M73 HydrophobicContact CE3-CB 3.79Å; W28-M73 HydrophobicContact CE3-CE 3.62Å; W28-M73 HydrophobicContact CE3-SD 4.08Å; W28-M73 HydrophobicContact CG-CB 4.17Å; W28-M73 HydrophobicContact CG-SD 3.9Å; W28-M73 HydrophobicContact CH2-CB 3.98Å; W28-M73 HydrophobicContact CZ2-CB 3.81Å; W28-M73 HydrophobicContact CZ3-CB 3.97Å; W28-M73 HydrophobicContact CZ3-CE 4.22Å; W28-Y87 WeakPolarHBondContact CA-O 3.27Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.3Å; W28-C88 HydrophobicContact CH2-CB 4.44Å; W28-C88 HydrophobicContact CZ3-CB 4.28Å
29	V	96.8	Very high	94	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.018	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137.3	-172.2	-172.5	0	0	0	0	109.4	L37 E38 Y86 Y87 T89 W92	V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 4.01Å; V29-L37 HydrophobicContact CG1-CG 4.37Å; V29-E38 WeakPolarHBondContact CA-O 3.47Å; V29-Y86 CarbonylContact O-C 3.43Å; V29-Y86 WeakPolarHBondContact O-CA 3.42Å; V29-Y87 PolarHBondContact N-O 3.49Å; V29-Y87 PolarHBondContact O-N 3.11Å; V29-T89 HydrophobicContact CG2-CG2 4.31Å; V29-W92 HydrophobicContact CB-CZ3 4.22Å; V29-W92 HydrophobicContact CG1-CH2 3.7Å; V29-W92 HydrophobicContact CG1-CZ3 3.68Å; V29-W92 HydrophobicContact CG2-CD2 4.15Å; V29-W92 HydrophobicContact CG2-CE3 3.51Å; V29-W92 HydrophobicContact CG2-CH2 4.07Å; V29-W92 HydrophobicContact CG2-CZ3 3.47Å; V29-W92 VanDerWaalsContact CG2-CZ3 3.47Å
30	K	95.6	Very high	94.3	Very high	1 Å²	1	54.9 Å²	54.9	0%	0.004	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.6	174.3	-175.6	-178.7	-177.7	178	0	109.7	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 2.98Å; K30-E38 PolarHBondContact O-N 3.07Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; K30-F56 HydrophobicContact CD-CE1 3.98Å; K30-F56 HydrophobicContact CD-CZ 4.06Å; K30-E81 WeakPolarHBondContact CE-O 3.38Å; K30-E81 PolarHBondContact NZ-O 3.43Å; K30-D82 IonicContact NZ-OD1 2.88Å; K30-D82 PolarHBondContact NZ-OD1 3.47Å; K30-A84 HydrophobicContact CD-CB 4.15Å; K30-A84 HydrophobicContact CG-CB 3.48Å; K30-A84 VanDerWaalsContact CG-CB 3.48Å; K30-Y86 HydrophobicContact CB-CD1 4.22Å; K30-Y86 HydrophobicContact CB-CE1 3.99Å; K30-Y86 HydrophobicContact CD-CE1 4.13Å; K30-Y86 HydrophobicContact CG-CD1 4.37Å; K30-Y86 HydrophobicContact CG-CE1 3.85Å
31	Q	95.3	Very high	94.5	Very high	67 Å²	67	50.6 Å²	50.6	31%	0.313	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	116.7	171.9	-169.4	-179.3	32.9	0	0	110.1	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.76Å; Q31-L37 HydrophobicContact CG-CD2 3.81Å; Q31-A84 WeakPolarHBondContact O-CB 3.3Å; Q31-V85 PolarHBondContact N-O 3.44Å; Q31-V85 PolarHBondContact O-N 2.82Å; Q31-Y87 HydrophobicContact CB-CD2 4.36Å; Q31-Y87 HydrophobicContact CB-CE2 3.69Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.24Å; Q31-Y87 PolarHBondContact OE1-OH 3.47Å
32	R	93.4	Very high	94.7	Very high	54 Å²	54	52.1 Å²	52.1	20%	0.204	30%	0.297	C	S	.	.			trans	-89.8	147.3	169.2	-57.1	-161.9	-172	92	-5.9	110.3	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.94Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.06Å; R32-Q35 VanDerWaalsContact CD-OE1 3.23Å; R32-Q35 PolarHBondContact O-N 2.85Å; R32-E38 IonicContact CZ-OE2 3.5Å; R32-E38 IonicContact NH1-OE2 3.36Å; R32-E38 PolarHBondContact NH1-OE2 2.89Å; R32-E81 VanDerWaalsContact CZ-O 3.29Å; R32-E81 PolarHBondContact NE-O 2.89Å; R32-E81 PolarHBondContact NH2-O 3.19Å; R32-A84 HydrophobicContact CG-CB 4.14Å
33	P	90	Very high	94.8	Very high	119 Å²	119	49.5 Å²	49.5	77%	0.773	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	128.2	171.5	-24.7	34.2	0	0	0	111.2	Q35	P33-Q35 PolarHBondContact O-N 2.91Å
34	G	90.4	Very high	95	Very high	94 Å²	94	46.5 Å²	46.5	97%	0.969	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	3.8	-179.2	0	0	0	0	0	115.6	R32	R32-G34 PolarHBondContact O-N 2.94Å
35	Q	89.9	Confident	95.2	Very high	99 Å²	99	41 Å²	41	46%	0.463	24%	0.237	S	C	.	.	S	Bend	trans	-115.1	160.7	173.9	-58.9	-173.1	-14.9	0	0	111.2	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.06Å; R32-Q35 VanDerWaalsContact CD-OE1 3.23Å; R32-Q35 PolarHBondContact O-N 2.85Å; P33-Q35 PolarHBondContact O-N 2.91Å
36	G	90.9	Very high	95.2	Very high	56 Å²	56	38.3 Å²	38.3	58%	0.577	23%	0.234	S	C	*	.			trans	-66.9	174.9	172.4	0	0	0	0	0	112.8
37	L	93.9	Very high	95.2	Very high	89 Å²	89	43.5 Å²	43.5	47%	0.466	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	128.2	172.5	-62.3	173.3	0	0	0	109.9	V29 Q31 Y87 W92	V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 4.01Å; V29-L37 HydrophobicContact CG1-CG 4.37Å; Q31-L37 HydrophobicContact CB-CD2 3.76Å; Q31-L37 HydrophobicContact CG-CD2 3.81Å; L37-Y87 HydrophobicContact CD2-CE2 4.49Å; L37-W92 HydrophobicContact CB-CH2 3.64Å; L37-W92 HydrophobicContact CB-CZ3 4.29Å; L37-W92 HydrophobicContact CD1-CH2 4.04Å; L37-W92 HydrophobicContact CD1-CZ3 3.96Å; L37-W92 HydrophobicContact CG-CH2 4.47Å
38	E	95.2	Very high	95.1	Very high	36 Å²	36	44.2 Å²	44.2	17%	0.168	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.6	174.1	-63.6	-167.9	92.4	0	0	109.5	V29 K30 R32 I40 K55 F56	V29-E38 WeakPolarHBondContact CA-O 3.47Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 2.98Å; K30-E38 PolarHBondContact O-N 3.07Å; R32-E38 IonicContact CZ-OE2 3.5Å; R32-E38 IonicContact NH1-OE2 3.36Å; R32-E38 PolarHBondContact NH1-OE2 2.89Å; E38-I40 PolarHBondContact O-N 3.43Å; E38-K55 IonicContact OE1-NZ 2.55Å; E38-K55 PolarHBondContact OE1-NZ 3.48Å; E38-F56 HydrophobicContact CB-CE2 4.41Å; E38-F56 HydrophobicContact CB-CZ 4.36Å
39	W	96.2	Very high	95.1	Very high	47 Å²	47	45.7 Å²	45.7	18%	0.178	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	128	173.6	-176.3	74.9	0	0	0	110.7	H27 G41 E42 N51 N53 W92	H27-W39 AromaticContact ND1-NE1 3.55Å; W39-G41 PolarHBondContact NE1-O 2.55Å; W39-E42 HydrophobicContact CZ2-CB 3.97Å; W39-E42 HydrophobicContact CZ2-CG 3.95Å; W39-N51 HydrophobicContact CH2-CB 4.31Å; W39-N53 HydrophobicContact CE3-CB 3.81Å; W39-N53 HydrophobicContact CZ3-CB 4.05Å; W39-N53 WeakPolarHBondContact O-CB 3.43Å; W39-N53 PolarHBondContact O-ND2 2.93Å; W39-W92 HydrophobicContact CB-CZ2 3.75Å; W39-W92 AromaticContact CD1-CD1 3.46Å; W39-W92 VanDerWaalsContact CD1-CD1 3.46Å; W39-W92 AromaticContact CD1-CD2 3.9Å; W39-W92 AromaticContact CD1-CE2 3.69Å; W39-W92 AromaticContact CD1-CG 3.79Å; W39-W92 AromaticContact CD1-NE1 3.37Å; W39-W92 AromaticContact CG-CE2 3.96Å; W39-W92 HydrophobicContact CG-CZ2 4.45Å; W39-W92 AromaticContact CG-NE1 3.53Å; W39-W92 AromaticContact NE1-CD1 3.85Å
40	I	97.3	Very high	95.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-47	-179	-61.9	173.1	0	0	0	110.3	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.16Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3.44Å; W28-I40 PolarHBondContact O-N 3.36Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; E38-I40 PolarHBondContact O-N 3.43Å; I40-N53 PolarHBondContact O-N 2.84Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.27Å; I40-F56 HydrophobicContact CG1-CD2 4.24Å; I40-F56 HydrophobicContact CG1-CE1 4.29Å; I40-F56 HydrophobicContact CG1-CE2 4.25Å; I40-F56 HydrophobicContact CG1-CG 4.24Å; I40-F56 HydrophobicContact CG1-CZ 4.28Å; I40-F56 HydrophobicContact CG2-CB 3.73Å; I40-F56 HydrophobicContact CG2-CD1 4.34Å; I40-F56 HydrophobicContact CG2-CD2 4.39Å; I40-F56 HydrophobicContact CG2-CG 3.92Å; I40-A60 HydrophobicContact CG2-CB 3.8Å; I40-M73 HydrophobicContact CB-SD 4.49Å; I40-M73 HydrophobicContact CD1-CE 3.7Å; I40-M73 HydrophobicContact CD1-SD 3.64Å; I40-M73 HydrophobicContact CG2-SD 3.84Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.72Å
41	G	97.3	Very high	95.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.3	178.4	-171.3	0	0	0	0	0	111.7	H27 W28 W39 N51	H27-G41 WeakPolarHBondContact CA-O 3.38Å; W28-G41 PolarHBondContact N-O 2.8Å; W39-G41 PolarHBondContact NE1-O 2.55Å; G41-N51 CarbonylContact C-O 3.56Å; G41-N51 WeakPolarHBondContact CA-O 3.15Å
42	E	97.6	Very high	95.3	Very high	40 Å²	40	51.5 Å²	51.5	19%	0.187	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	155.8	176.4	71.5	-164.8	-162.8	0	0	111.2	Y25 M26 H27 W39 T50 N51 L62	Y25-E42 HydrophobicContact CD1-CG 4.07Å; M26-E42 CarbonylContact O-C 3.58Å; M26-E42 VanDerWaalsContact O-CA 3.23Å; M26-E42 WeakPolarHBondContact O-CA 3.44Å; H27-E42 IonicContact CE1-OE2 2.8Å; H27-E42 PolarHBondContact CE1-OE2 2.84Å; H27-E42 WeakPolarHBondContact ND1-CB 3.48Å; H27-E42 IonicContact ND1-OE2 3.41Å; H27-E42 PolarHBondContact ND1-OE2 2.02Å; W39-E42 HydrophobicContact CZ2-CB 3.97Å; W39-E42 HydrophobicContact CZ2-CG 3.95Å; E42-T50 VanDerWaalsContact O-CA 3.3Å; E42-T50 WeakPolarHBondContact O-CA 3.04Å; E42-N51 HydrophobicContact CG-CB 4Å; E42-N51 PolarHBondContact N-O 3.17Å; E42-N51 PolarHBondContact O-N 3.04Å; E42-L62 WeakPolarHBondContact O-CD1 3.37Å
43	I	98	Very high	95.4	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133	171.1	-174	157.8	0	0	0	109.4	M26 P45 G49 T50 L62 V64	M26-I43 HydrophobicContact CB-CG2 4.02Å; M26-I43 PolarHBondContact N-O 3.34Å; M26-I43 PolarHBondContact O-N 3.07Å; I43-P45 VanDerWaalsContact O-CD 3.24Å; I43-P45 WeakPolarHBondContact O-CD 3.12Å; I43-G49 CarbonylContact C-O 3.58Å; I43-G49 WeakPolarHBondContact CA-O 3.22Å; I43-T50 HydrophobicContact CB-CG2 3.96Å; I43-T50 HydrophobicContact CD1-CG2 3.66Å; I43-T50 HydrophobicContact CG1-CG2 3.74Å; I43-L62 HydrophobicContact CB-CB 4.05Å; I43-L62 HydrophobicContact CB-CD1 4.32Å; I43-L62 HydrophobicContact CD1-CB 4.08Å; I43-L62 HydrophobicContact CG2-CB 4.39Å; I43-V64 HydrophobicContact CB-CG1 4.48Å; I43-V64 HydrophobicContact CD1-CG1 3.78Å; I43-V64 HydrophobicContact CD1-CG2 4.34Å; I43-V64 HydrophobicContact CG1-CG1 3.91Å; I43-V64 HydrophobicContact CG2-CG1 3.76Å
44	N	97.1	Very high	95.7	Very high	15 Å²	15	51.7 Å²	51.7	8%	0.08	32%	0.319	C	S	.	.			trans	-81.5	110.8	169.9	-174.3	-28.7	0	0	0	108.8	Y25 S46 N47 G48 G49	Y25-N44 HydrophobicContact CD1-CB 3.84Å; Y25-N44 HydrophobicContact CE1-CB 3.5Å; Y25-N44 VanDerWaalsContact CE1-CB 3.5Å; Y25-N44 PolarHBondContact OH-ND2 2.8Å; N44-S46 VanDerWaalsContact CG-OG 3.3Å; N44-S46 PolarHBondContact ND2-OG 2.8Å; N44-S46 PolarHBondContact O-N 2.86Å; N44-S46 VanDerWaalsContact OD1-CB 3.29Å; N44-S46 WeakPolarHBondContact OD1-CB 3.3Å; N44-S46 PolarHBondContact OD1-N 2.91Å; N44-S46 PolarHBondContact OD1-OG 3.34Å; N44-N47 WeakPolarHBondContact CB-OD1 3.23Å; N44-N47 PolarHBondContact O-N 3.41Å; N44-G48 VanDerWaalsContact O-CA 3.27Å; N44-G48 WeakPolarHBondContact O-CA 3.1Å; N44-G48 PolarHBondContact O-N 3.02Å; N44-G49 PolarHBondContact N-O 2.84Å
45	P	96.6	Very high	95.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-17.1	-177.4	-17.9	33.3	0	0	0	113.6	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.88Å; F21-P45 HydrophobicContact CD2-CB 4.49Å; F21-P45 HydrophobicContact CD2-CG 4.36Å; F21-P45 HydrophobicContact CE1-CB 3.6Å; F21-P45 HydrophobicContact CE1-CG 4.24Å; F21-P45 HydrophobicContact CE2-CB 4.24Å; F21-P45 HydrophobicContact CE2-CG 3.98Å; F21-P45 HydrophobicContact CG-CB 4.35Å; F21-P45 HydrophobicContact CZ-CB 3.8Å; F21-P45 HydrophobicContact CZ-CG 3.92Å; Y24-P45 WeakPolarHBondContact O-CD 3.25Å; Y24-P45 VanDerWaalsContact O-CG 3.28Å; Y24-P45 WeakPolarHBondContact O-CG 2.97Å; I43-P45 VanDerWaalsContact O-CD 3.24Å; I43-P45 WeakPolarHBondContact O-CD 3.12Å; P45-V64 HydrophobicContact CB-CG1 4.11Å; P45-V64 HydrophobicContact CG-CG1 4.36Å; P45-K66 WeakPolarHBondContact O-CE 3.48Å
46	S	96	Very high	96	Very high	52 Å²	52	50 Å²	50	36%	0.364	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-43.8	178.1	72.5	0	0	0	0	112.9	N44 K66	N44-S46 VanDerWaalsContact CG-OG 3.3Å; N44-S46 PolarHBondContact ND2-OG 2.8Å; N44-S46 PolarHBondContact O-N 2.86Å; N44-S46 VanDerWaalsContact OD1-CB 3.29Å; N44-S46 WeakPolarHBondContact OD1-CB 3.3Å; N44-S46 PolarHBondContact OD1-N 2.91Å; N44-S46 PolarHBondContact OD1-OG 3.34Å; S46-K66 VanDerWaalsContact O-CE 3.31Å; S46-K66 WeakPolarHBondContact O-CE 3.2Å; S46-K66 PolarHBondContact O-NZ 2.86Å
47	N	95.8	Very high	96.2	Very high	114 Å²	114	52.9 Å²	52.9	61%	0.61	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.7	-5	-173.1	65	16.6	0	0	0	114.1	N44 G49	N44-N47 WeakPolarHBondContact CB-OD1 3.23Å; N44-N47 PolarHBondContact O-N 3.41Å; N47-G49 VanDerWaalsContact C-N 3.26Å; N47-G49 PolarHBondContact O-N 2.88Å; N47-G49 PolarHBondContact OD1-N 3.11Å
48	G	95.7	Very high	96.2	Very high	34 Å²	34	54.4 Å²	54.4	35%	0.351	30%	0.298	S	S	.	.			trans	76.8	6.8	-179.2	0	0	0	0	0	114.5	N44 T50	N44-G48 VanDerWaalsContact O-CA 3.27Å; N44-G48 WeakPolarHBondContact O-CA 3.1Å; N44-G48 PolarHBondContact O-N 3.02Å; G48-T50 PolarHBondContact O-N 2.95Å
49	G	97.3	Very high	96.2	Very high	36 Å²	36	54.6 Å²	54.6	37%	0.371	30%	0.298	S	S	.	.			trans	-60.3	134.4	175.6	0	0	0	0	0	110.8	I43 N44 N47	I43-G49 CarbonylContact C-O 3.58Å; I43-G49 WeakPolarHBondContact CA-O 3.22Å; N44-G49 PolarHBondContact N-O 2.84Å; N47-G49 VanDerWaalsContact C-N 3.26Å; N47-G49 PolarHBondContact O-N 2.88Å; N47-G49 PolarHBondContact OD1-N 3.11Å
50	T	97.8	Very high	96.2	Very high	66 Å²	66	52.5 Å²	52.5	41%	0.405	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145	-177.8	50.6	0	0	0	0	111.1	E42 I43 G48 Y52 L62	E42-T50 VanDerWaalsContact O-CA 3.3Å; E42-T50 WeakPolarHBondContact O-CA 3.04Å; I43-T50 HydrophobicContact CB-CG2 3.96Å; I43-T50 HydrophobicContact CD1-CG2 3.66Å; I43-T50 HydrophobicContact CG1-CG2 3.74Å; G48-T50 PolarHBondContact O-N 2.95Å; T50-Y52 HydrophobicContact CG2-CE2 4.41Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.46Å; T50-L62 HydrophobicContact CG2-CB 3.96Å
51	N	97	Very high	96.3	Very high	87 Å²	87	55.8 Å²	55.8	47%	0.465	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145.2	168.5	-170	13.5	0	0	0	108.6	W39 G41 E42	W39-N51 HydrophobicContact CH2-CB 4.31Å; G41-N51 CarbonylContact C-O 3.56Å; G41-N51 WeakPolarHBondContact CA-O 3.15Å; E42-N51 HydrophobicContact CG-CB 4Å; E42-N51 PolarHBondContact N-O 3.17Å; E42-N51 PolarHBondContact O-N 3.04Å
52	Y	97.6	Very high	96.3	Very high	39 Å²	39	56.2 Å²	56.2	15%	0.153	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147.8	-173.8	-65.4	-90.2	0	0	0	110.3	T50 K57 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.41Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.46Å; Y52-K57 HydrophobicContact CG-CG 4.42Å; Y52-A60 HydrophobicContact CE1-CB 4.24Å; Y52-A60 VanDerWaalsContact CE1-O 3.26Å; Y52-A60 WeakPolarHBondContact CE1-O 3.16Å; Y52-L62 HydrophobicContact CE1-CD1 3.96Å; Y52-L62 HydrophobicContact CE1-CG 3.66Å; Y52-L62 PolarHBondContact OH-N 3.5Å
53	N	96.1	Very high	96.4	Very high	47 Å²	47	57.3 Å²	57.3	25%	0.251	32%	0.322	S	S	.	.			trans	-70.3	132.4	156.7	-177.1	-26.8	0	0	0	108.6	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.81Å; W39-N53 HydrophobicContact CZ3-CB 4.05Å; W39-N53 WeakPolarHBondContact O-CB 3.43Å; W39-N53 PolarHBondContact O-ND2 2.93Å; I40-N53 PolarHBondContact O-N 2.84Å; N53-K55 PolarHBondContact O-N 3.37Å; N53-K55 PolarHBondContact OD1-N 3.36Å; N53-K55 VanDerWaalsContact OD1-N 3.17Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.18Å; N53-K57 PolarHBondContact O-N 3.18Å
54	E	95.5	Very high	96.3	Very high	131 Å²	131	58.9 Å²	58.9	61%	0.612	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-30.4	-177.1	-69.8	-62.1	150.8	0	0	112.8	F56 K57	E54-F56 PolarHBondContact O-N 2.89Å; E54-K57 IonicContact OE1-NZ 3.59Å; E54-K57 PolarHBondContact OE1-NZ 2.88Å; E54-K57 VanDerWaalsContact OE2-CD 3.3Å; E54-K57 WeakPolarHBondContact OE2-CD 3.21Å; E54-K57 IonicContact OE2-NZ 3.34Å; E54-K57 PolarHBondContact OE2-NZ 3.24Å
55	K	93	Very high	96.3	Very high	146 Å²	146	60.8 Å²	60.8	64%	0.635	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-29.3	175.1	-66	-172.8	-174.8	-179.3	0	114.2	E38 N53	E38-K55 IonicContact OE1-NZ 2.55Å; E38-K55 PolarHBondContact OE1-NZ 3.48Å; N53-K55 PolarHBondContact O-N 3.37Å; N53-K55 PolarHBondContact OD1-N 3.36Å; N53-K55 VanDerWaalsContact OD1-N 3.17Å
56	F	94.8	Very high	96.2	Very high	12 Å²	12	66.1 Å²	66.1	5%	0.053	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-8.2	-171.9	-61.5	-81.9	0	0	0	113.5	K30 E38 I40 N53 E54 S58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.98Å; K30-F56 HydrophobicContact CD-CZ 4.06Å; E38-F56 HydrophobicContact CB-CE2 4.41Å; E38-F56 HydrophobicContact CB-CZ 4.36Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.27Å; I40-F56 HydrophobicContact CG1-CD2 4.24Å; I40-F56 HydrophobicContact CG1-CE1 4.29Å; I40-F56 HydrophobicContact CG1-CE2 4.25Å; I40-F56 HydrophobicContact CG1-CG 4.24Å; I40-F56 HydrophobicContact CG1-CZ 4.28Å; I40-F56 HydrophobicContact CG2-CB 3.73Å; I40-F56 HydrophobicContact CG2-CD1 4.34Å; I40-F56 HydrophobicContact CG2-CD2 4.39Å; I40-F56 HydrophobicContact CG2-CG 3.92Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.18Å; E54-F56 PolarHBondContact O-N 2.89Å; F56-S58 VanDerWaalsContact C-N 3.26Å; F56-S58 PolarHBondContact O-N 3.19Å; F56-K59 PolarHBondContact O-N 2.88Å; F56-A60 HydrophobicContact CB-CB 4.38Å; F56-A60 PolarHBondContact O-N 2.82Å
57	K	94.1	Very high	96.2	Very high	115 Å²	115	69 Å²	69	50%	0.5	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-32.9	-174.3	-168.1	177.2	-169.1	173.3	0	114.4	Y52 N53 E54	Y52-K57 HydrophobicContact CG-CG 4.42Å; N53-K57 PolarHBondContact O-N 3.18Å; E54-K57 IonicContact OE1-NZ 3.59Å; E54-K57 PolarHBondContact OE1-NZ 2.88Å; E54-K57 VanDerWaalsContact OE2-CD 3.3Å; E54-K57 WeakPolarHBondContact OE2-CD 3.21Å; E54-K57 IonicContact OE2-NZ 3.34Å; E54-K57 PolarHBondContact OE2-NZ 3.24Å
58	S	94.2	Very high	96.2	Very high	121 Å²	121	65.2 Å²	65.2	85%	0.846	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-10.9	176.2	59	0	0	0	0	113.8	F56	F56-S58 VanDerWaalsContact C-N 3.26Å; F56-S58 PolarHBondContact O-N 3.19Å
59	K	94.8	Very high	96.2	Very high	41 Å²	41	65.6 Å²	65.6	18%	0.178	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-34.3	-168.2	-159.8	167.8	-162.5	161.4	0	113.6	F56 L75 S76 S77 D82	F56-K59 PolarHBondContact O-N 2.88Å; K59-L75 WeakPolarHBondContact O-CA 3.23Å; K59-S76 WeakPolarHBondContact CE-O 3.37Å; K59-S76 VanDerWaalsContact CG-O 3.23Å; K59-S76 WeakPolarHBondContact CG-O 3.22Å; K59-S76 PolarHBondContact O-N 3.07Å; K59-S77 VanDerWaalsContact CE-O 3.22Å; K59-S77 WeakPolarHBondContact CE-O 3.28Å; K59-S77 PolarHBondContact NZ-O 3.11Å; K59-D82 WeakPolarHBondContact CE-OD2 3.36Å; K59-D82 IonicContact NZ-OD1 2.95Å; K59-D82 IonicContact NZ-OD2 2.82Å; K59-D82 PolarHBondContact NZ-OD2 2.82Å
60	A	97.3	Very high	96.3	Very high	3 Å²	3	64.2 Å²	64.2	3%	0.025	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.7	-176.6	0	0	0	0	0	111.1	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.8Å; Y52-A60 HydrophobicContact CE1-CB 4.24Å; Y52-A60 VanDerWaalsContact CE1-O 3.26Å; Y52-A60 WeakPolarHBondContact CE1-O 3.16Å; F56-A60 HydrophobicContact CB-CB 4.38Å; F56-A60 PolarHBondContact O-N 2.82Å; A60-M73 HydrophobicContact CB-CG 4.43Å; A60-M73 HydrophobicContact CB-SD 4.39Å; A60-Q74 CarbonylContact C-O 3.55Å; A60-Q74 WeakPolarHBondContact CA-O 2.9Å; A60-L75 HydrophobicContact CB-CD2 3.9Å
61	T	98.2	Very high	96.3	Very high	69 Å²	69	61.1 Å²	61.1	42%	0.423	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	120	169.1	-57.4	0	0	0	0	108.7	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.4Å; T61-M73 WeakPolarHBondContact O-CA 3.3Å; T61-Q74 PolarHBondContact N-O 3.41Å; T61-Q74 PolarHBondContact O-N 2.99Å
62	L	98.3	Very high	96.3	Very high	8 Å²	8	59.4 Å²	59.4	4%	0.042	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	134.5	178.4	-51.7	-177.4	0	0	0	110.7	W28 E42 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.05Å; E42-L62 WeakPolarHBondContact O-CD1 3.37Å; I43-L62 HydrophobicContact CB-CB 4.05Å; I43-L62 HydrophobicContact CB-CD1 4.32Å; I43-L62 HydrophobicContact CD1-CB 4.08Å; I43-L62 HydrophobicContact CG2-CB 4.39Å; T50-L62 HydrophobicContact CG2-CB 3.96Å; Y52-L62 HydrophobicContact CE1-CD1 3.96Å; Y52-L62 HydrophobicContact CE1-CG 3.66Å; Y52-L62 PolarHBondContact OH-N 3.5Å; L62-Y72 WeakPolarHBondContact CA-O 3.4Å; L62-M73 HydrophobicContact CD2-CB 3.69Å; L62-M73 HydrophobicContact CD2-CG 3.61Å; L62-M73 HydrophobicContact CD2-SD 4.03Å
63	T	98.2	Very high	96.4	Very high	63 Å²	63	57.6 Å²	57.6	39%	0.387	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	161.7	175.6	56.1	0	0	0	0	110.8	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.4Å; T63-Y72 PolarHBondContact N-O 3.34Å; T63-Y72 PolarHBondContact O-N 3.12Å
64	V	97.6	Very high	96.4	Very high	37 Å²	37	59.1 Å²	59.1	22%	0.224	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	144.2	175.8	-68.2	0	0	0	0	111	F21 I43 P45 A71	F21-V64 HydrophobicContact CE1-CB 4.33Å; F21-V64 HydrophobicContact CE1-CG1 4.42Å; F21-V64 HydrophobicContact CZ-CB 4.46Å; F21-V64 HydrophobicContact CZ-CG1 4.13Å; I43-V64 HydrophobicContact CB-CG1 4.48Å; I43-V64 HydrophobicContact CD1-CG1 3.78Å; I43-V64 HydrophobicContact CD1-CG2 4.34Å; I43-V64 HydrophobicContact CG1-CG1 3.91Å; I43-V64 HydrophobicContact CG2-CG1 3.76Å; P45-V64 HydrophobicContact CB-CG1 4.11Å; P45-V64 HydrophobicContact CG-CG1 4.36Å; V64-A71 HydrophobicContact CG1-CB 4.18Å
65	D	96.8	Very high	96.5	Very high	55 Å²	55	53 Å²	53	29%	0.294	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	105.7	164.2	174.8	8.6	0	0	0	108.5	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.79Å; D65-S67 WeakPolarHBondContact OD1-CB 3.3Å; D65-S67 PolarHBondContact OD1-N 3Å; D65-S67 PolarHBondContact OD1-OG 2.8Å; D65-S67 PolarHBondContact OD2-OG 2.91Å; D65-S68 WeakPolarHBondContact CB-OG 3.31Å; D65-S68 PolarHBondContact OD1-N 2.92Å; D65-S68 VanDerWaalsContact OD2-CB 3.32Å; D65-S68 WeakPolarHBondContact OD2-CB 3.47Å; D65-S68 PolarHBondContact OD2-OG 3.44Å; D65-S69 PolarHBondContact O-N 3.03Å; D65-S69 VanDerWaalsContact O-N 3.11Å; D65-T70 PolarHBondContact N-O 2.84Å; D65-T70 PolarHBondContact O-N 3.04Å; D65-Y72 HydrophobicContact CB-CE2 3.92Å
66	K	94.9	Very high	96.6	Very high	113 Å²	113	47.6 Å²	47.6	49%	0.491	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-32.6	-179.5	-66	173.2	174.7	174.4	0	112	P45 S46 S68 S69	P45-K66 WeakPolarHBondContact O-CE 3.48Å; S46-K66 VanDerWaalsContact O-CE 3.31Å; S46-K66 WeakPolarHBondContact O-CE 3.2Å; S46-K66 PolarHBondContact O-NZ 2.86Å; K66-S68 VanDerWaalsContact C-N 3.34Å; K66-S68 PolarHBondContact O-N 2.87Å; K66-S69 PolarHBondContact O-N 2.96Å
67	S	94.4	Very high	96.5	Very high	111 Å²	111	50.9 Å²	50.9	78%	0.776	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-37.6	-175.8	72.6	0	0	0	0	111.7	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.79Å; D65-S67 WeakPolarHBondContact OD1-CB 3.3Å; D65-S67 PolarHBondContact OD1-N 3Å; D65-S67 PolarHBondContact OD1-OG 2.8Å; D65-S67 PolarHBondContact OD2-OG 2.91Å
68	S	96.4	Very high	96.5	Very high	36 Å²	36	46 Å²	46	25%	0.252	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	0.9	177.8	66.4	0	0	0	0	113.7	D65 K66 T70	D65-S68 WeakPolarHBondContact CB-OG 3.31Å; D65-S68 PolarHBondContact OD1-N 2.92Å; D65-S68 VanDerWaalsContact OD2-CB 3.32Å; D65-S68 WeakPolarHBondContact OD2-CB 3.47Å; D65-S68 PolarHBondContact OD2-OG 3.44Å; K66-S68 VanDerWaalsContact C-N 3.34Å; K66-S68 PolarHBondContact O-N 2.87Å; S68-T70 PolarHBondContact O-N 2.85Å; S68-T70 PolarHBondContact O-OG1 2.97Å; S68-T70 VanDerWaalsContact O-OG1 3.11Å; S68-T70 WeakPolarHBondContact OG-CB 3.24Å; S68-T70 PolarHBondContact OG-OG1 3.2Å; S68-T70 VanDerWaalsContact OG-OG1 3.07Å
69	S	96.6	Very high	96.4	Very high	41 Å²	41	43.5 Å²	43.5	29%	0.287	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	42.5	-172.6	-61.8	0	0	0	0	112.7	A16 D65 K66	A16-S69 PolarHBondContact N-O 2.99Å; D65-S69 PolarHBondContact O-N 3.03Å; D65-S69 VanDerWaalsContact O-N 3.11Å; K66-S69 PolarHBondContact O-N 2.96Å
70	T	98	Very high	96.1	Very high	8 Å²	8	46.8 Å²	46.8	5%	0.049	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.2	-174.6	-52.3	0	0	0	0	111	C14 K15 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.12Å; K15-T70 HydrophobicContact CB-CG2 4.48Å; D65-T70 PolarHBondContact N-O 2.84Å; D65-T70 PolarHBondContact O-N 3.04Å; S68-T70 PolarHBondContact O-N 2.85Å; S68-T70 PolarHBondContact O-OG1 2.97Å; S68-T70 VanDerWaalsContact O-OG1 3.11Å; S68-T70 WeakPolarHBondContact OG-CB 3.24Å; S68-T70 PolarHBondContact OG-OG1 3.2Å; S68-T70 VanDerWaalsContact OG-OG1 3.07Å; T70-Y72 HydrophobicContact CG2-CD1 4.29Å; T70-Y72 HydrophobicContact CG2-CD2 4.36Å; T70-Y72 HydrophobicContact CG2-CE1 3.69Å; T70-Y72 HydrophobicContact CG2-CE2 3.75Å
71	A	98	Very high	95.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	149.2	166.9	0	0	0	0	0	110	S13 C14 F21 M26 W28 V64	S13-A71 CarbonylContact C-O 3.5Å; S13-A71 WeakPolarHBondContact CA-O 3.31Å; C14-A71 PolarHBondContact N-O 2.77Å; C14-A71 PolarHBondContact O-N 2.75Å; F21-A71 HydrophobicContact CE2-CB 4.45Å; F21-A71 HydrophobicContact CZ-CB 4.1Å; M26-A71 HydrophobicContact CB-CB 4.07Å; M26-A71 HydrophobicContact CG-CB 3.64Å; W28-A71 HydrophobicContact CZ2-CB 4.24Å; V64-A71 HydrophobicContact CG1-CB 4.18Å
72	Y	98.3	Very high	95.4	Very high	52 Å²	52	50.6 Å²	50.6	20%	0.204	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	145.3	177.7	-57.2	-87.2	0	0	0	110.9	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.36Å; K11-Y72 VanDerWaalsContact CE-CD1 3.43Å; K11-Y72 VanDerWaalsContact CE-CG 3.48Å; K11-Y72 HydrophobicContact CG-CD1 4.36Å; L12-Y72 WeakPolarHBondContact O-CA 3.37Å; S13-Y72 VanDerWaalsContact CB-CD1 3.47Å; S13-Y72 VanDerWaalsContact CB-CE1 3.42Å; L62-Y72 WeakPolarHBondContact CA-O 3.4Å; T63-Y72 PolarHBondContact N-O 3.34Å; T63-Y72 PolarHBondContact O-N 3.12Å; D65-Y72 HydrophobicContact CB-CE2 3.92Å; T70-Y72 HydrophobicContact CG2-CD1 4.29Å; T70-Y72 HydrophobicContact CG2-CD2 4.36Å; T70-Y72 HydrophobicContact CG2-CE1 3.69Å; T70-Y72 HydrophobicContact CG2-CE2 3.75Å
73	M	98.1	Very high	95.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121	167.4	176.6	172.9	71	0	0	108.8	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.65Å; L12-M73 PolarHBondContact N-O 2.92Å; L12-M73 PolarHBondContact O-N 2.8Å; W28-M73 HydrophobicContact CB-CE 4.43Å; W28-M73 HydrophobicContact CB-SD 3.78Å; W28-M73 HydrophobicContact CD2-CB 3.6Å; W28-M73 HydrophobicContact CD2-CE 4.17Å; W28-M73 HydrophobicContact CD2-CG 4.4Å; W28-M73 HydrophobicContact CD2-SD 4.01Å; W28-M73 HydrophobicContact CE3-CB 3.79Å; W28-M73 HydrophobicContact CE3-CE 3.62Å; W28-M73 HydrophobicContact CE3-SD 4.08Å; W28-M73 HydrophobicContact CG-CB 4.17Å; W28-M73 HydrophobicContact CG-SD 3.9Å; W28-M73 HydrophobicContact CH2-CB 3.98Å; W28-M73 HydrophobicContact CZ2-CB 3.81Å; W28-M73 HydrophobicContact CZ3-CB 3.97Å; W28-M73 HydrophobicContact CZ3-CE 4.22Å; I40-M73 HydrophobicContact CB-SD 4.49Å; I40-M73 HydrophobicContact CD1-CE 3.7Å; I40-M73 HydrophobicContact CD1-SD 3.64Å; I40-M73 HydrophobicContact CG2-SD 3.84Å; A60-M73 HydrophobicContact CB-CG 4.43Å; A60-M73 HydrophobicContact CB-SD 4.39Å; T61-M73 WeakPolarHBondContact O-CA 3.3Å; L62-M73 HydrophobicContact CD2-CB 3.69Å; L62-M73 HydrophobicContact CD2-CG 3.61Å; L62-M73 HydrophobicContact CD2-SD 4.03Å; M73-L75 HydrophobicContact CE-CD1 4.03Å; M73-L75 HydrophobicContact CE-CD2 4.39Å; M73-L75 HydrophobicContact CE-CG 4.16Å; M73-L75 HydrophobicContact CG-CD2 4.43Å; M73-L75 HydrophobicContact CG-CG 4.33Å; M73-L75 HydrophobicContact SD-CD2 4.22Å; M73-L75 HydrophobicContact SD-CG 4.46Å; M73-Y86 HydrophobicContact CE-CD1 3.58Å; M73-Y86 HydrophobicContact CE-CE1 4.03Å; M73-Y86 HydrophobicContact CE-CG 4.31Å
74	Q	97.8	Very high	95	Very high	80 Å²	80	53 Å²	53	37%	0.374	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	123.2	170.3	-178.2	174.8	-16	0	0	109.2	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.45Å; A60-Q74 CarbonylContact C-O 3.55Å; A60-Q74 WeakPolarHBondContact CA-O 2.9Å; T61-Q74 PolarHBondContact N-O 3.41Å; T61-Q74 PolarHBondContact O-N 2.99Å
75	L	96.3	Very high	94.9	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.9	171.1	-65.5	167.5	0	0	0	108.6	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.35Å; S9-L75 VanDerWaalsContact CB-O 3.31Å; S9-L75 WeakPolarHBondContact CB-O 3.4Å; V10-L75 HydrophobicContact CG1-CB 4.07Å; V10-L75 HydrophobicContact CG1-CD1 4.31Å; V10-L75 PolarHBondContact N-O 2.85Å; V10-L75 PolarHBondContact O-N 2.87Å; K59-L75 WeakPolarHBondContact O-CA 3.23Å; A60-L75 HydrophobicContact CB-CD2 3.9Å; M73-L75 HydrophobicContact CE-CD1 4.03Å; M73-L75 HydrophobicContact CE-CD2 4.39Å; M73-L75 HydrophobicContact CE-CG 4.16Å; M73-L75 HydrophobicContact CG-CD2 4.43Å; M73-L75 HydrophobicContact CG-CG 4.33Å; M73-L75 HydrophobicContact SD-CD2 4.22Å; M73-L75 HydrophobicContact SD-CG 4.46Å; L75-L78 HydrophobicContact CB-CD2 3.69Å; L75-L78 HydrophobicContact CD1-CD2 4.21Å; L75-Y86 HydrophobicContact CD1-CD1 4.34Å; L75-Y86 HydrophobicContact CD1-CE1 3.59Å; L75-Y86 HydrophobicContact CD1-CE2 4.2Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.49Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.34Å
76	S	95.1	Very high	94.9	Very high	34 Å²	34	54.4 Å²	54.4	24%	0.238	32%	0.319	C	S	.	.			trans	-109.2	156	180	-60.4	0	0	0	0	112	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.4Å; K59-S76 WeakPolarHBondContact CE-O 3.37Å; K59-S76 VanDerWaalsContact CG-O 3.23Å; K59-S76 WeakPolarHBondContact CG-O 3.22Å; K59-S76 PolarHBondContact O-N 3.07Å; S76-L78 PolarHBondContact O-N 2.92Å
77	S	93.8	Very high	94.9	Very high	81 Å²	81	53.8 Å²	53.8	57%	0.566	31%	0.314	S	S	*	.	S	Bend	trans	52.5	52.8	174.5	-54.7	0	0	0	0	112.6	A8 K59	A8-S77 PolarHBondContact O-N 3.02Å; K59-S77 VanDerWaalsContact CE-O 3.22Å; K59-S77 WeakPolarHBondContact CE-O 3.28Å; K59-S77 PolarHBondContact NZ-O 3.11Å
78	L	93.3	Very high	95	Very high	13 Å²	13	50.9 Å²	50.9	7%	0.068	29%	0.293	C	S	.	.			trans	-63.3	139.6	-175.1	-69.1	170.2	0	0	0	112	V4 G7 A8 V10 L75 S76 D82	V4-L78 HydrophobicContact CB-CD1 4.45Å; V4-L78 HydrophobicContact CG2-CD1 3.45Å; V4-L78 VanDerWaalsContact CG2-CD1 3.45Å; G7-L78 PolarHBondContact N-O 3.39Å; A8-L78 WeakPolarHBondContact O-CB 3.26Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.36Å; A8-L78 PolarHBondContact O-N 2.8Å; V10-L78 HydrophobicContact CB-CD1 3.95Å; V10-L78 HydrophobicContact CG1-CD1 3.72Å; V10-L78 HydrophobicContact CG1-CD2 4.48Å; L75-L78 HydrophobicContact CB-CD2 3.69Å; L75-L78 HydrophobicContact CD1-CD2 4.21Å; S76-L78 PolarHBondContact O-N 2.92Å; L78-D82 WeakPolarHBondContact CA-OD2 3.4Å; L78-D82 HydrophobicContact CD2-CB 3.7Å
79	T	92.4	Very high	95	Very high	67 Å²	67	51.2 Å²	51.2	41%	0.411	29%	0.294	S	S	.	.			trans	-120.8	171.5	174.1	67.3	0	0	0	0	110	E81 D82	T79-E81 PolarHBondContact O-N 2.8Å; T79-E81 VanDerWaalsContact O-N 3.12Å; T79-E81 PolarHBondContact OG1-N 2.59Å; T79-D82 PolarHBondContact N-OD2 3.07Å; T79-D82 WeakPolarHBondContact O-CB 3.39Å; T79-D82 PolarHBondContact O-N 2.8Å; T79-D82 PolarHBondContact OG1-OD2 2.89Å
80	C	89.3	Confident	94.8	Very high	110 Å²	110	51 Å²	51	74%	0.743	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-56.7	-28.7	176.1	-59.6	0	0	0	0	112.4	D82 S83	C80-D82 PolarHBondContact O-N 2.93Å; C80-S83 VanDerWaalsContact O-CB 3.31Å; C80-S83 WeakPolarHBondContact O-CB 3.31Å; C80-S83 PolarHBondContact O-N 2.8Å; C80-S83 VanDerWaalsContact O-N 3.17Å
81	E	88.6	Confident	94.1	Very high	138 Å²	138	55.5 Å²	55.5	65%	0.645	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-69.3	-14.5	177.1	-61.9	-178.7	-178.7	0	0	113.5	K30 R32 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.38Å; K30-E81 PolarHBondContact NZ-O 3.43Å; R32-E81 VanDerWaalsContact CZ-O 3.29Å; R32-E81 PolarHBondContact NE-O 2.89Å; R32-E81 PolarHBondContact NH2-O 3.19Å; T79-E81 PolarHBondContact O-N 2.8Å; T79-E81 VanDerWaalsContact O-N 3.12Å; T79-E81 PolarHBondContact OG1-N 2.59Å; E81-S83 VanDerWaalsContact C-N 3.34Å
82	D	91.8	Very high	92.8	Very high	15 Å²	15	59.7 Å²	59.7	8%	0.08	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-86.2	-7.7	174.3	-58.7	-50.5	0	0	0	113.5	K30 K59 L78 T79 C80 A84 Y86	K30-D82 IonicContact NZ-OD1 2.88Å; K30-D82 PolarHBondContact NZ-OD1 3.47Å; K59-D82 WeakPolarHBondContact CE-OD2 3.36Å; K59-D82 IonicContact NZ-OD1 2.95Å; K59-D82 IonicContact NZ-OD2 2.82Å; K59-D82 PolarHBondContact NZ-OD2 2.82Å; L78-D82 WeakPolarHBondContact CA-OD2 3.4Å; L78-D82 HydrophobicContact CD2-CB 3.7Å; T79-D82 PolarHBondContact N-OD2 3.07Å; T79-D82 WeakPolarHBondContact O-CB 3.39Å; T79-D82 PolarHBondContact O-N 2.8Å; T79-D82 PolarHBondContact OG1-OD2 2.89Å; C80-D82 PolarHBondContact O-N 2.93Å; D82-A84 PolarHBondContact O-N 3.47Å; D82-Y86 WeakPolarHBondContact O-CE2 3.29Å; D82-Y86 PolarHBondContact O-OH 3.33Å
83	S	92.8	Very high	91.2	Very high	93 Å²	93	60.8 Å²	60.8	65%	0.65	36%	0.358	S	S	*	.			trans	-64.1	107.8	172.7	-168.1	0	0	0	0	110	C80 E81	C80-S83 VanDerWaalsContact O-CB 3.31Å; C80-S83 WeakPolarHBondContact O-CB 3.31Å; C80-S83 PolarHBondContact O-N 2.8Å; C80-S83 VanDerWaalsContact O-N 3.17Å; E81-S83 VanDerWaalsContact C-N 3.34Å
84	A	94.4	Very high	88.9	Confident	27 Å²	27	74.3 Å²	74.3	22%	0.223	41%	0.411	C	S	.	.	S	Bend	trans	-163.8	167.5	-171.8	0	0	0	0	0	110.3	K30 Q31 R32 D82 Y86	K30-A84 HydrophobicContact CD-CB 4.15Å; K30-A84 HydrophobicContact CG-CB 3.48Å; K30-A84 VanDerWaalsContact CG-CB 3.48Å; Q31-A84 WeakPolarHBondContact O-CB 3.3Å; R32-A84 HydrophobicContact CG-CB 4.14Å; D82-A84 PolarHBondContact O-N 3.47Å; A84-Y86 HydrophobicContact CB-CE2 4.02Å
85	V	95.6	Very high	88.4	Confident	74 Å²	74	74 Å²	74	45%	0.448	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	135.3	162.4	-172.8	0	0	0	0	108.3	Q31 Y87	Q31-V85 PolarHBondContact N-O 3.44Å; Q31-V85 PolarHBondContact O-N 2.82Å; V85-Y87 HydrophobicContact CB-CE2 3.99Å; V85-Y87 HydrophobicContact CG1-CD1 4.38Å; V85-Y87 HydrophobicContact CG1-CD2 4.34Å; V85-Y87 HydrophobicContact CG1-CE1 3.71Å; V85-Y87 HydrophobicContact CG1-CE2 3.68Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.5Å
86	Y	96.4	Very high	88	Confident	49 Å²	49	77.8 Å²	77.8	19%	0.192	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.9	178	-70	-89.1	0	0	0	109.5	L12 V29 K30 I40 M73 L75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.24Å; L12-Y86 HydrophobicContact CD1-CD2 4.08Å; L12-Y86 HydrophobicContact CD1-CG 3.73Å; V29-Y86 CarbonylContact O-C 3.43Å; V29-Y86 WeakPolarHBondContact O-CA 3.42Å; K30-Y86 HydrophobicContact CB-CD1 4.22Å; K30-Y86 HydrophobicContact CB-CE1 3.99Å; K30-Y86 HydrophobicContact CD-CE1 4.13Å; K30-Y86 HydrophobicContact CG-CD1 4.37Å; K30-Y86 HydrophobicContact CG-CE1 3.85Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.72Å; M73-Y86 HydrophobicContact CE-CD1 3.58Å; M73-Y86 HydrophobicContact CE-CE1 4.03Å; M73-Y86 HydrophobicContact CE-CG 4.31Å; L75-Y86 HydrophobicContact CD1-CD1 4.34Å; L75-Y86 HydrophobicContact CD1-CE1 3.59Å; L75-Y86 HydrophobicContact CD1-CE2 4.2Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.49Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.34Å; D82-Y86 WeakPolarHBondContact O-CE2 3.29Å; D82-Y86 PolarHBondContact O-OH 3.33Å; A84-Y86 HydrophobicContact CB-CE2 4.02Å
87	Y	96.1	Very high	87.6	Confident	99 Å²	99	80.3 Å²	80.3	39%	0.388	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	148.7	179.3	-56	-82.3	0	0	0	110.3	W28 V29 Q31 L37 V85	W28-Y87 WeakPolarHBondContact CA-O 3.27Å; V29-Y87 PolarHBondContact N-O 3.49Å; V29-Y87 PolarHBondContact O-N 3.11Å; Q31-Y87 HydrophobicContact CB-CD2 4.36Å; Q31-Y87 HydrophobicContact CB-CE2 3.69Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.24Å; Q31-Y87 PolarHBondContact OE1-OH 3.47Å; L37-Y87 HydrophobicContact CD2-CE2 4.49Å; V85-Y87 HydrophobicContact CB-CE2 3.99Å; V85-Y87 HydrophobicContact CG1-CD1 4.38Å; V85-Y87 HydrophobicContact CG1-CD2 4.34Å; V85-Y87 HydrophobicContact CG1-CE1 3.71Å; V85-Y87 HydrophobicContact CG1-CE2 3.68Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.5Å
88	C	96.1	Very high	87.2	Confident	50 Å²	50	80.2 Å²	80.2	34%	0.338	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	142.1	162.5	61.6	0	0	0	0	109.2	C14 M26 H27 W28	C14-C88 HydrophobicContact CB-CB 3.49Å; C14-C88 VanDerWaalsContact CB-CB 3.49Å; C14-C88 WeakPolarHBondContact CB-SG 3.48Å; C14-C88 WeakPolarHBondContact SG-CB 3.4Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.46Å; M26-C88 HydrophobicContact CG-CB 4.41Å; M26-C88 HydrophobicContact SD-CB 3.74Å; H27-C88 VanDerWaalsContact O-CA 3.25Å; H27-C88 WeakPolarHBondContact O-CA 3.32Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.3Å; W28-C88 HydrophobicContact CH2-CB 4.44Å; W28-C88 HydrophobicContact CZ3-CB 4.28Å
89	T	95.3	Very high	86.9	Confident	44 Å²	44	84.4 Å²	84.4	27%	0.27	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	149.7	179.5	179.5	0	0	0	0	110.2	H27 V29 N91 W92	H27-T89 HydrophobicContact CB-CG2 4Å; H27-T89 PolarHBondContact CD2-O 2.62Å; H27-T89 PolarHBondContact N-O 3.4Å; H27-T89 PolarHBondContact O-N 2.59Å; V29-T89 HydrophobicContact CG2-CG2 4.31Å; T89-N91 PolarHBondContact OG1-N 2.95Å; T89-N91 PolarHBondContact OG1-O 2.73Å; T89-N91 VanDerWaalsContact OG1-O 3.07Å; T89-W92 HydrophobicContact CG2-CB 4.48Å; T89-W92 HydrophobicContact CG2-CE3 4.32Å
90	T	93.3	Very high	86.5	Confident	37 Å²	37	85.6 Å²	85.6	23%	0.227	46%	0.464	C	S	.	.	S	Bend	trans	-85.6	-17.1	169.4	57	0	0	0	0	113	Y19 Y24 Y25 M26	Y19-T90 HydrophobicContact CE1-CG2 4.32Å; Y19-T90 HydrophobicContact CE2-CG2 3.97Å; Y19-T90 WeakPolarHBondContact OH-CG2 2.88Å; Y24-T90 HydrophobicContact CG-CG2 4.48Å; Y25-T90 WeakPolarHBondContact O-CA 3.31Å; M26-T90 HydrophobicContact CE-CG2 4.45Å
91	N	83.3	Confident	86.3	Confident	101 Å²	101	83.9 Å²	83.9	54%	0.54	44%	0.444	S	S	.	.			trans	-119.8	104.1	-174.4	-63.1	-7.9	0	0	0	108.8	T89	T89-N91 PolarHBondContact OG1-N 2.95Å; T89-N91 PolarHBondContact OG1-O 2.73Å; T89-N91 VanDerWaalsContact OG1-O 3.07Å
92	W	71.8	Confident	86.1	Confident	89 Å²	89	79.7 Å²	79.7	34%	0.337	43%	0.429	S	S	.	.	S	Bend	trans	-122.5	96.3	170.6	-172.1	-102.7	0	0	0	109.1	H27 V29 L37 W39 T89	H27-W92 HydrophobicContact CB-CB 3.98Å; V29-W92 HydrophobicContact CB-CZ3 4.22Å; V29-W92 HydrophobicContact CG1-CH2 3.7Å; V29-W92 HydrophobicContact CG1-CZ3 3.68Å; V29-W92 HydrophobicContact CG2-CD2 4.15Å; V29-W92 HydrophobicContact CG2-CE3 3.51Å; V29-W92 HydrophobicContact CG2-CH2 4.07Å; V29-W92 HydrophobicContact CG2-CZ3 3.47Å; V29-W92 VanDerWaalsContact CG2-CZ3 3.47Å; L37-W92 HydrophobicContact CB-CH2 3.64Å; L37-W92 HydrophobicContact CB-CZ3 4.29Å; L37-W92 HydrophobicContact CD1-CH2 4.04Å; L37-W92 HydrophobicContact CD1-CZ3 3.96Å; L37-W92 HydrophobicContact CG-CH2 4.47Å; W39-W92 HydrophobicContact CB-CZ2 3.75Å; W39-W92 AromaticContact CD1-CD1 3.46Å; W39-W92 VanDerWaalsContact CD1-CD1 3.46Å; W39-W92 AromaticContact CD1-CD2 3.9Å; W39-W92 AromaticContact CD1-CE2 3.69Å; W39-W92 AromaticContact CD1-CG 3.79Å; W39-W92 AromaticContact CD1-NE1 3.37Å; W39-W92 AromaticContact CG-CE2 3.96Å; W39-W92 HydrophobicContact CG-CZ2 4.45Å; W39-W92 AromaticContact CG-NE1 3.53Å; W39-W92 AromaticContact NE1-CD1 3.85Å; T89-W92 HydrophobicContact CG2-CB 4.48Å; T89-W92 HydrophobicContact CG2-CE3 4.32Å
93	G	63.8	Low	85.7	Confident	74 Å²	74	85.1 Å²	85.1	76%	0.763	46%	0.458	S	S	*	.			trans	90	20.1	172.7	0	0	0	0	0	117.5
94	Y	49.1	Very low	85	Confident	284 Å²	284	84.4 Å²	84.4	100%	1.114	44%	0.44	S	S	*	.			trans	-135.2	0	167	-64.3	-80.4	0	0	0	110.7

Retrieved 94 of 94 residues in 26.4 ms (Link to these results)

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