X5J5P8_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5P8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 96 aa.

						>X5J5P8_MOUSE|X5J5P8
AELVKPGASVKLSCKYSGFNIKDTYMHWVKQRPEQGLEWIGRVDPANGYTKYDPKFQAKATITADTSSNTAYLQLSSLTSEDTAVYYCANWFDSWG
					

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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	64.3	Low	84.5	Confident	156 Å²	156	99.5 Å²	99.5	100%	1.289	60%	0.598	S	S	*	*				0	134.7	0	0	0	0	0	0	107.7
2	E	74.4	Confident	85.5	Confident	124 Å²	124	94.2 Å²	94.2	58%	0.579	56%	0.564	S	S	*	*			trans	-105.4	122.7	179.8	-161.2	173.3	165.9	0	0	108.8	V4 V10	E2-V4 HydrophobicContact CG-CG1 4.03Å; E2-V10 HydrophobicContact CG-CG2 4.38Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.3Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.4Å
3	L	78.9	Confident	86.4	Confident	177 Å²	177	93.4 Å²	93.4	93%	0.927	57%	0.566	S	S	*	*			trans	-103.3	114.7	177.3	-93.2	149.7	0	0	0	108
4	V	82.8	Confident	87	Confident	59 Å²	59	87.6 Å²	87.6	36%	0.358	53%	0.531	S	S	.	.			trans	-121.3	147.9	-175.2	-67.8	0	0	0	0	110.3	E2 A8 V10 L78	E2-V4 HydrophobicContact CG-CG1 4.03Å; V4-A8 HydrophobicContact CB-CB 4.5Å; V4-V10 HydrophobicContact CG1-CB 4.42Å; V4-L78 HydrophobicContact CB-CD1 4.31Å; V4-L78 HydrophobicContact CG2-CD1 3.4Å
5	K	83.1	Confident	87.5	Confident	171 Å²	171	92.6 Å²	92.6	74%	0.743	54%	0.543	S	S	*	.			trans	-69.9	146.2	176.7	-64.6	-179.6	-178.7	177.9	0	109.7	G7 A8	K5-G7 PolarHBondContact O-N 3.34Å; K5-A8 WeakPolarHBondContact O-CB 3.3Å; K5-A8 PolarHBondContact O-N 3.17Å
6	P	84.4	Confident	87.6	Confident	122 Å²	122	88.3 Å²	88.3	79%	0.792	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	139.8	170.3	-25.3	34.3	0	0	0	111.5	A8	P6-A8 PolarHBondContact O-N 3.23Å
7	G	86.1	Confident	87.7	Confident	52 Å²	52	89.4 Å²	89.4	54%	0.536	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	-9.3	-176.6	0	0	0	0	0	115.2	K5 L78	K5-G7 PolarHBondContact O-N 3.34Å; G7-L78 PolarHBondContact N-O 2.88Å
8	A	91.1	Very high	87.7	Confident	36 Å²	36	89.4 Å²	89.4	30%	0.298	55%	0.55	S	S	.	*			trans	-71.8	169.8	172.3	0	0	0	0	0	111.6	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.5Å; K5-A8 WeakPolarHBondContact O-CB 3.3Å; K5-A8 PolarHBondContact O-N 3.17Å; P6-A8 PolarHBondContact O-N 3.23Å; A8-S77 PolarHBondContact O-N 2.8Å; A8-L78 WeakPolarHBondContact O-CB 3.25Å; A8-L78 WeakPolarHBondContact O-CG 3.25Å; A8-L78 PolarHBondContact O-N 3.05Å; A8-L78 VanDerWaalsContact O-N 3.08Å
9	S	93.9	Very high	87.5	Confident	66 Å²	66	88.6 Å²	88.6	46%	0.462	54%	0.538	S	S	.	.			trans	-111.3	147.2	172.2	-57.5	0	0	0	0	109.7	L75 S76	S9-L75 CarbonylContact C-O 3.37Å; S9-L75 WeakPolarHBondContact CA-O 3.34Å; S9-L75 WeakPolarHBondContact CB-O 3.44Å; S9-S76 WeakPolarHBondContact OG-CA 3.48Å
10	V	94.7	Very high	87.6	Confident	14 Å²	14	87.8 Å²	87.8	9%	0.085	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	147.6	174.2	68.3	0	0	0	0	110.1	E2 V4 L12 Q74 L75 L78	E2-V10 HydrophobicContact CG-CG2 4.38Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.3Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.4Å; V4-V10 HydrophobicContact CG1-CB 4.42Å; V10-L12 HydrophobicContact CG2-CD2 4.04Å; V10-Q74 CarbonylContact O-C 3.54Å; V10-Q74 VanDerWaalsContact O-CA 3.31Å; V10-Q74 WeakPolarHBondContact O-CA 3.4Å; V10-L75 HydrophobicContact CG1-CB 3.99Å; V10-L75 HydrophobicContact CG1-CD1 4.25Å; V10-L75 PolarHBondContact N-O 2.86Å; V10-L75 PolarHBondContact O-N 3.45Å; V10-L78 HydrophobicContact CB-CD1 3.95Å; V10-L78 HydrophobicContact CG1-CD1 3.72Å; V10-L78 HydrophobicContact CG1-CD2 4.36Å
11	K	96	Very high	87.8	Confident	117 Å²	117	83.6 Å²	83.6	51%	0.509	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	107.4	172.1	-173.7	179.3	178.8	-179.9	0	109.7	Y72 L73	K11-Y72 HydrophobicContact CD-CD1 4.46Å; K11-Y72 VanDerWaalsContact CE-CD1 3.4Å; K11-Y72 VanDerWaalsContact CE-CG 3.49Å; K11-Y72 HydrophobicContact CG-CD1 4.49Å; K11-L73 CarbonylContact C-O 3.58Å; K11-L73 WeakPolarHBondContact CA-O 3.46Å
12	L	96.4	Very high	89.1	Confident	36 Å²	36	80.6 Å²	80.6	19%	0.188	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	147.9	173.7	-55.8	178.8	0	0	0	109.8	V10 W28 Y72 L73 Y86	V10-L12 HydrophobicContact CG2-CD2 4.04Å; L12-W28 HydrophobicContact CB-CH2 3.94Å; L12-W28 HydrophobicContact CB-CZ3 3.97Å; L12-W28 HydrophobicContact CD1-CZ3 4.32Å; L12-Y72 VanDerWaalsContact O-CA 3.25Å; L12-Y72 WeakPolarHBondContact O-CA 3.41Å; L12-L73 HydrophobicContact CB-CB 4.43Å; L12-L73 HydrophobicContact CD1-CD2 4.29Å; L12-L73 PolarHBondContact N-O 3.41Å; L12-L73 PolarHBondContact O-N 2.9Å; L12-Y86 VanDerWaalsContact CD1-CB 3.49Å; L12-Y86 HydrophobicContact CD1-CD1 4.18Å; L12-Y86 HydrophobicContact CD1-CD2 4.05Å; L12-Y86 HydrophobicContact CD1-CG 3.65Å
13	S	96.5	Very high	89.8	Confident	84 Å²	84	80.6 Å²	80.6	59%	0.587	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	143.7	176.3	68.4	0	0	0	0	110.4	A71	S13-A71 CarbonylContact C-O 3.56Å; S13-A71 WeakPolarHBondContact CA-O 3.49Å
14	C	95	Very high	90.2	Very high	12 Å²	12	73.1 Å²	73.1	8%	0.081	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	107.5	177.7	178.8	0	0	0	0	109.3	Y16 W28 T70 A71 C88	C14-Y16 HydrophobicContact CB-CE2 4.31Å; C14-Y16 WeakPolarHBondContact SG-CE2 3.46Å; C14-W28 HydrophobicContact CB-CH2 3.82Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; C14-T70 CarbonylContact O-C 3.6Å; C14-T70 WeakPolarHBondContact O-CA 3.36Å; C14-A71 PolarHBondContact N-O 3.02Å; C14-A71 PolarHBondContact O-N 2.87Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.31Å; C14-C88 WeakPolarHBondContact SG-CB 3.31Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.98Å
15	K	94.6	Very high	90.6	Very high	163 Å²	163	73.7 Å²	73.7	71%	0.709	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.5	-179.4	-175.4	174.9	-177.1	177.7	0	109.8	T70	K15-T70 HydrophobicContact CB-CG2 4.44Å
16	Y	89.2	Confident	91.1	Very high	24 Å²	24	65.6 Å²	65.6	9%	0.094	39%	0.39	C	S	.	.			trans	-100.6	148.6	178.5	-68.1	-89.7	0	0	0	111.2	C14 F19 I21 M26 N69 A71 A89 N90	C14-Y16 HydrophobicContact CB-CE2 4.31Å; C14-Y16 WeakPolarHBondContact SG-CE2 3.46Å; Y16-F19 AromaticContact CD1-CE1 3.87Å; Y16-F19 HydrophobicContact CD1-CE1 3.87Å; Y16-F19 HydrophobicContact CD1-CE2 4.21Å; Y16-F19 AromaticContact CD1-CZ 3.28Å; Y16-F19 HydrophobicContact CD1-CZ 3.28Å; Y16-F19 HydrophobicContact CE1-CZ 4Å; Y16-F19 HydrophobicContact CG-CE1 4.42Å; Y16-F19 HydrophobicContact CG-CE2 4.29Å; Y16-F19 AromaticContact CG-CZ 3.73Å; Y16-F19 HydrophobicContact CG-CZ 3.73Å; Y16-I21 HydrophobicContact CD2-CD1 3.75Å; Y16-I21 HydrophobicContact CD2-CG1 4.05Å; Y16-I21 HydrophobicContact CE2-CD1 4.17Å; Y16-M26 HydrophobicContact CD2-SD 3.76Å; Y16-M26 HydrophobicContact CE1-SD 4.16Å; Y16-M26 HydrophobicContact CE2-CE 4.48Å; Y16-M26 HydrophobicContact CE2-CG 4.47Å; Y16-M26 HydrophobicContact CE2-SD 3.17Å; Y16-M26 WeakPolarHBondContact CE2-SD 3.38Å; Y16-M26 HydrophobicContact CG-SD 4.44Å; Y16-N69 PolarHBondContact N-O 2.97Å; Y16-N69 PolarHBondContact O-ND2 3.32Å; Y16-A71 HydrophobicContact CE2-CB 4.41Å; Y16-A89 PolarHBondContact OH-N 3.04Å; Y16-N90 HydrophobicContact CE1-CB 4.39Å
17	S	89.5	Confident	91.6	Very high	107 Å²	107	60.3 Å²	60.3	75%	0.748	36%	0.355	S	S	*	.			trans	-131.2	152.4	175.5	58	0	0	0	0	110	F19	S17-F19 VanDerWaalsContact C-N 3.34Å; S17-F19 PolarHBondContact O-N 3.21Å
18	G	86.9	Confident	92.1	Very high	89 Å²	89	58.1 Å²	58.1	92%	0.918	33%	0.33	S	S	*	.	S	Bend	trans	85.1	-4.4	176.6	0	0	0	0	0	115.9
19	F	84.9	Confident	92.3	Very high	74 Å²	74	56.6 Å²	56.6	33%	0.325	32%	0.318	S	S	.	.	S	Bend	trans	-156	164.7	173.1	63.2	-88.1	0	0	0	111.5	Y16 S17 T24 N69 N90	Y16-F19 AromaticContact CD1-CE1 3.87Å; Y16-F19 HydrophobicContact CD1-CE1 3.87Å; Y16-F19 HydrophobicContact CD1-CE2 4.21Å; Y16-F19 AromaticContact CD1-CZ 3.28Å; Y16-F19 HydrophobicContact CD1-CZ 3.28Å; Y16-F19 HydrophobicContact CE1-CZ 4Å; Y16-F19 HydrophobicContact CG-CE1 4.42Å; Y16-F19 HydrophobicContact CG-CE2 4.29Å; Y16-F19 AromaticContact CG-CZ 3.73Å; Y16-F19 HydrophobicContact CG-CZ 3.73Å; S17-F19 VanDerWaalsContact C-N 3.34Å; S17-F19 PolarHBondContact O-N 3.21Å; F19-T24 HydrophobicContact CD2-CG2 4.03Å; F19-T24 HydrophobicContact CE2-CG2 3.5Å; F19-T24 HydrophobicContact CZ-CG2 4.41Å; F19-N69 PolarHBondContact O-ND2 2.78Å; F19-N90 HydrophobicContact CZ-CB 4.31Å; F19-N90 WeakPolarHBondContact CZ-ND2 3.16Å
20	N	89.4	Confident	92.3	Very high	72 Å²	72	53.5 Å²	53.5	39%	0.385	30%	0.296	S	S	.	.			trans	-83.5	122.5	174.9	178.5	-0.9	0	0	0	109.9	K22 D23	N20-K22 PolarHBondContact O-N 2.9Å; N20-K22 WeakPolarHBondContact OD1-CB 3.34Å; N20-K22 PolarHBondContact OD1-N 2.82Å; N20-K22 VanDerWaalsContact OD1-N 3.11Å; N20-D23 WeakPolarHBondContact CB-OD2 3.28Å; N20-D23 PolarHBondContact O-N 2.97Å
21	I	90.9	Very high	92.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-60.1	-21.1	-176.5	-154.9	-179.5	0	0	0	112.6	Y16 D23 M26 P45 T66 N69 A71	Y16-I21 HydrophobicContact CD2-CD1 3.75Å; Y16-I21 HydrophobicContact CD2-CG1 4.05Å; Y16-I21 HydrophobicContact CE2-CD1 4.17Å; I21-D23 PolarHBondContact O-N 3.49Å; I21-M26 HydrophobicContact CD1-CG 3.96Å; I21-M26 HydrophobicContact CD1-SD 3.8Å; I21-M26 HydrophobicContact CG1-CG 3.8Å; I21-M26 HydrophobicContact CG1-SD 3.4Å; I21-M26 WeakPolarHBondContact CG1-SD 3.23Å; I21-P45 HydrophobicContact CD1-CG 4.47Å; I21-P45 HydrophobicContact CG1-CG 4.04Å; I21-P45 HydrophobicContact CG2-CB 4.05Å; I21-P45 VanDerWaalsContact O-CG 3.25Å; I21-P45 WeakPolarHBondContact O-CG 2.96Å; I21-T66 HydrophobicContact CG2-CG2 4.15Å; I21-N69 WeakPolarHBondContact CB-OD1 3.39Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.31Å; I21-N69 PolarHBondContact N-OD1 2.62Å; I21-A71 HydrophobicContact CD1-CB 4.14Å
22	K	91.4	Very high	92	Very high	93 Å²	93	53.1 Å²	53.1	40%	0.404	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-66.6	-18.9	175.5	-66.5	-174.5	178.4	-175.8	0	113.9	N20 T24 A46 T66	N20-K22 PolarHBondContact O-N 2.9Å; N20-K22 WeakPolarHBondContact OD1-CB 3.34Å; N20-K22 PolarHBondContact OD1-N 2.82Å; N20-K22 VanDerWaalsContact OD1-N 3.11Å; K22-T24 VanDerWaalsContact C-N 3.28Å; K22-T24 PolarHBondContact O-N 3.15Å; K22-A46 HydrophobicContact CB-CB 4.41Å; K22-T66 HydrophobicContact CD-CG2 4.2Å; K22-T66 VanDerWaalsContact CE-CG2 3.47Å; K22-T66 WeakPolarHBondContact CE-OG1 3.4Å; K22-T66 HydrophobicContact CG-CG2 3.63Å
23	D	89.4	Confident	91.3	Very high	124 Å²	124	57.7 Å²	57.7	66%	0.663	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-88	3.9	-172.6	-57.2	-26.7	0	0	0	112.9	N20 I21	N20-D23 WeakPolarHBondContact CB-OD2 3.28Å; N20-D23 PolarHBondContact O-N 2.97Å; I21-D23 PolarHBondContact O-N 3.49Å
24	T	88	Confident	90.7	Very high	20 Å²	20	62.5 Å²	62.5	12%	0.123	34%	0.337	C	S	.	.	S	Bend	trans	-153.9	153.4	-173.8	173.7	0	0	0	0	112.4	F19 K22 M26 P45 N90	F19-T24 HydrophobicContact CD2-CG2 4.03Å; F19-T24 HydrophobicContact CE2-CG2 3.5Å; F19-T24 HydrophobicContact CZ-CG2 4.41Å; K22-T24 VanDerWaalsContact C-N 3.28Å; K22-T24 PolarHBondContact O-N 3.15Å; T24-M26 HydrophobicContact CG2-CE 3.29Å; T24-P45 WeakPolarHBondContact O-CD 3.24Å; T24-N90 HydrophobicContact CG2-CB 4.24Å
25	Y	91.6	Very high	89.9	Confident	72 Å²	72	66.7 Å²	66.7	28%	0.282	36%	0.356	S	S	.	.			trans	-75.8	138.8	169	-62.1	-80	0	0	0	111.4	H27 D44 D93	Y25-H27 PolarHBondContact O-CD2 2.65Å; Y25-D44 HydrophobicContact CD1-CB 3.74Å; Y25-D44 HydrophobicContact CE1-CB 3.55Å; Y25-D44 WeakPolarHBondContact CE1-OD2 3.43Å; Y25-D93 WeakPolarHBondContact CD2-OD2 3.46Å; Y25-D93 WeakPolarHBondContact CE2-OD2 3.36Å
26	M	92.7	Very high	89.6	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	110.7	-179.5	-58.6	-69.2	83.5	0	0	109.7	Y16 I21 T24 R42 V43 P45 A71 N90	Y16-M26 HydrophobicContact CD2-SD 3.76Å; Y16-M26 HydrophobicContact CE1-SD 4.16Å; Y16-M26 HydrophobicContact CE2-CE 4.48Å; Y16-M26 HydrophobicContact CE2-CG 4.47Å; Y16-M26 HydrophobicContact CE2-SD 3.17Å; Y16-M26 WeakPolarHBondContact CE2-SD 3.38Å; Y16-M26 HydrophobicContact CG-SD 4.44Å; I21-M26 HydrophobicContact CD1-CG 3.96Å; I21-M26 HydrophobicContact CD1-SD 3.8Å; I21-M26 HydrophobicContact CG1-CG 3.8Å; I21-M26 HydrophobicContact CG1-SD 3.4Å; I21-M26 WeakPolarHBondContact CG1-SD 3.23Å; T24-M26 HydrophobicContact CG2-CE 3.29Å; M26-R42 CarbonylContact O-C 3.5Å; M26-R42 WeakPolarHBondContact O-CA 3.33Å; M26-R42 WeakPolarHBondContact O-CB 3.5Å; M26-V43 HydrophobicContact CB-CG1 3.82Å; M26-V43 HydrophobicContact CG-CG1 4.41Å; M26-V43 PolarHBondContact N-O 3.13Å; M26-V43 PolarHBondContact O-N 3.33Å; M26-P45 HydrophobicContact CG-CG 3.64Å; M26-A71 HydrophobicContact CB-CB 4.2Å; M26-A71 HydrophobicContact CG-CB 4.28Å; M26-N90 HydrophobicContact CE-CB 3.43Å; M26-N90 VanDerWaalsContact CE-CB 3.43Å
27	H	94.8	Very high	89.7	Confident	12 Å²	12	65.6 Å²	65.6	6%	0.056	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	144	-178	-64.1	-111.5	0	0	0	110.4	Y25 W39 G41 C88 A89 D93	Y25-H27 PolarHBondContact O-CD2 2.65Å; H27-W39 AromaticContact CG-NE1 3.85Å; H27-W39 AromaticContact ND1-CD1 3.9Å; H27-W39 AromaticContact ND1-CE2 3.96Å; H27-W39 AromaticContact ND1-NE1 3.11Å; H27-W39 PolarHBondContact ND1-NE1 2.92Å; H27-W39 VanDerWaalsContact ND1-NE1 3.11Å; H27-G41 WeakPolarHBondContact CA-O 3.27Å; H27-C88 CarbonylContact O-C 3.53Å; H27-C88 VanDerWaalsContact O-CA 3.27Å; H27-C88 WeakPolarHBondContact O-CA 3.44Å; H27-A89 PolarHBondContact N-O 3.4Å; H27-A89 PolarHBondContact O-N 2.95Å; H27-D93 IonicContact CE1-OD1 3.76Å; H27-D93 IonicContact NE2-OD1 2.87Å
28	W	96.5	Very high	89.9	Confident	5 Å²	5	62.1 Å²	62.1	2%	0.019	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.1	170.9	-74	93.8	0	0	0	110	L12 C14 I40 G41 I62 A71 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.94Å; L12-W28 HydrophobicContact CB-CZ3 3.97Å; L12-W28 HydrophobicContact CD1-CZ3 4.32Å; C14-W28 HydrophobicContact CB-CH2 3.82Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; W28-I40 HydrophobicContact CB-CB 4.13Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.39Å; W28-I40 PolarHBondContact O-N 3.49Å; W28-G41 PolarHBondContact N-O 3.25Å; W28-I62 HydrophobicContact CB-CD1 4.46Å; W28-A71 HydrophobicContact CZ2-CB 4.32Å; W28-L73 HydrophobicContact CB-CD2 4.13Å; W28-L73 HydrophobicContact CD2-CB 3.47Å; W28-L73 VanDerWaalsContact CD2-CB 3.47Å; W28-L73 HydrophobicContact CD2-CD2 3.86Å; W28-L73 HydrophobicContact CD2-CG 4.24Å; W28-L73 VanDerWaalsContact CE2-CB 3.48Å; W28-L73 HydrophobicContact CE3-CB 3.69Å; W28-L73 HydrophobicContact CE3-CD2 3.62Å; W28-L73 HydrophobicContact CE3-CG 4.31Å; W28-L73 HydrophobicContact CG-CB 4Å; W28-L73 HydrophobicContact CG-CD2 4.1Å; W28-L73 HydrophobicContact CG-CG 4.48Å; W28-L73 HydrophobicContact CH2-CB 3.93Å; W28-L73 HydrophobicContact CZ2-CB 3.73Å; W28-L73 HydrophobicContact CZ3-CB 3.91Å; W28-L73 HydrophobicContact CZ3-CD2 4.29Å; W28-Y87 WeakPolarHBondContact CA-O 3.34Å; W28-C88 HydrophobicContact CD2-CB 4.42Å; W28-C88 HydrophobicContact CE3-CB 4.26Å; W28-C88 HydrophobicContact CH2-CB 4.27Å; W28-C88 HydrophobicContact CZ2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.19Å
29	V	95.6	Very high	90.2	Very high	5 Å²	5	61.1 Å²	61.1	3%	0.03	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137	-174.2	-176.3	0	0	0	0	109.2	L37 E38 Y86 Y87 W91	V29-L37 HydrophobicContact CG1-CB 3.71Å; V29-L37 HydrophobicContact CG1-CD2 3.78Å; V29-L37 HydrophobicContact CG1-CG 4.23Å; V29-E38 CarbonylContact C-O 3.57Å; V29-E38 WeakPolarHBondContact CA-O 2.98Å; V29-E38 WeakPolarHBondContact CG1-O 2.92Å; V29-Y86 CarbonylContact O-C 3.5Å; V29-Y86 WeakPolarHBondContact O-CA 3.09Å; V29-Y87 PolarHBondContact N-O 3.45Å; V29-Y87 PolarHBondContact O-N 2.87Å; V29-W91 HydrophobicContact CG2-CH2 4.05Å
30	K	94.7	Very high	90.8	Very high	1 Å²	1	57.6 Å²	57.6	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	133.4	173	-176	-177.9	-178.6	-179.9	0	108.9	R32 E38 I40 F56 E81 D82 A84 Y86	K30-R32 VanDerWaalsContact NZ-NH2 3.11Å; K30-E38 HydrophobicContact CB-CB 4.32Å; K30-E38 PolarHBondContact N-O 3.2Å; K30-E38 PolarHBondContact O-N 2.97Å; K30-I40 HydrophobicContact CB-CD1 4.02Å; K30-I40 HydrophobicContact CB-CG1 4.15Å; K30-F56 HydrophobicContact CD-CE1 3.88Å; K30-F56 HydrophobicContact CD-CZ 4.04Å; K30-E81 WeakPolarHBondContact CE-O 3.46Å; K30-E81 PolarHBondContact NZ-O 2.8Å; K30-D82 IonicContact NZ-OD1 3.87Å; K30-D82 PolarHBondContact NZ-OD1 3.11Å; K30-A84 HydrophobicContact CD-CB 4.12Å; K30-A84 HydrophobicContact CG-CB 3.42Å; K30-A84 VanDerWaalsContact CG-CB 3.42Å; K30-Y86 HydrophobicContact CB-CD1 4.27Å; K30-Y86 HydrophobicContact CB-CE1 4.01Å; K30-Y86 HydrophobicContact CD-CE1 4.15Å; K30-Y86 HydrophobicContact CG-CD1 4.42Å; K30-Y86 HydrophobicContact CG-CE1 3.85Å
31	Q	93.6	Very high	91.1	Very high	71 Å²	71	54.1 Å²	54.1	33%	0.332	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124.6	172.8	-168.8	-177.7	31.4	0	0	109.9	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.77Å; Q31-L37 HydrophobicContact CG-CD2 3.84Å; Q31-A84 WeakPolarHBondContact O-CA 3.44Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.43Å; Q31-V85 PolarHBondContact N-O 2.96Å; Q31-V85 PolarHBondContact O-N 2.76Å; Q31-Y87 HydrophobicContact CB-CD2 4.21Å; Q31-Y87 HydrophobicContact CB-CE2 3.76Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.24Å; Q31-Y87 PolarHBondContact OE1-OH 3.34Å
32	R	90.3	Very high	91.3	Very high	52 Å²	52	56 Å²	56	20%	0.196	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	150.7	170.1	-54.1	-174.4	-146.5	-168.9	1	109.2	K30 E34 Q35 E38 E81 A84	K30-R32 VanDerWaalsContact NZ-NH2 3.11Å; R32-E34 PolarHBondContact O-N 3.23Å; R32-Q35 HydrophobicContact CB-CB 4.15Å; R32-Q35 VanDerWaalsContact CD-OE1 3.22Å; R32-Q35 VanDerWaalsContact CZ-OE1 3.31Å; R32-Q35 VanDerWaalsContact NE-OE1 3.09Å; R32-Q35 PolarHBondContact O-N 2.89Å; R32-E38 IonicContact CZ-OE2 3.88Å; R32-E38 IonicContact NE-OE2 3.02Å; R32-E38 PolarHBondContact NE-OE2 3.4Å; R32-E38 IonicContact NH2-OE1 2.89Å; R32-E38 IonicContact NH2-OE2 3.34Å; R32-E38 PolarHBondContact NH2-OE2 3.04Å; R32-E81 PolarHBondContact NH1-O 3.05Å; R32-A84 HydrophobicContact CG-CB 4.07Å
33	P	82.5	Confident	91.5	Very high	131 Å²	131	51.7 Å²	51.7	85%	0.851	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-34.6	178.8	-25.9	34.6	0	0	0	113.6
34	E	83.5	Confident	91.8	Very high	185 Å²	185	46.6 Å²	46.6	86%	0.864	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	-8	-175	-53	-75	158.1	0	0	113.3	R32	R32-E34 PolarHBondContact O-N 3.23Å
35	Q	78.5	Confident	92.1	Very high	100 Å²	100	46.2 Å²	46.2	47%	0.467	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	152.4	-175.4	-70	177.7	-33.6	0	0	111	R32	R32-Q35 HydrophobicContact CB-CB 4.15Å; R32-Q35 VanDerWaalsContact CD-OE1 3.22Å; R32-Q35 VanDerWaalsContact CZ-OE1 3.31Å; R32-Q35 VanDerWaalsContact NE-OE1 3.09Å; R32-Q35 PolarHBondContact O-N 2.89Å
36	G	86.8	Confident	92.1	Very high	57 Å²	57	45.7 Å²	45.7	59%	0.588	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	-177	174	0	0	0	0	0	113.3	E38	G36-E38 PolarHBondContact O-N 2.73Å
37	L	91.5	Very high	92.2	Very high	108 Å²	108	50.9 Å²	50.9	57%	0.565	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	122	173.4	-65.7	175	0	0	0	110.2	V29 Q31	V29-L37 HydrophobicContact CG1-CB 3.71Å; V29-L37 HydrophobicContact CG1-CD2 3.78Å; V29-L37 HydrophobicContact CG1-CG 4.23Å; Q31-L37 HydrophobicContact CB-CD2 3.77Å; Q31-L37 HydrophobicContact CG-CD2 3.84Å
38	E	93.8	Very high	92.1	Very high	33 Å²	33	52.6 Å²	52.6	15%	0.154	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	116.9	173.3	-58.4	-173.2	89.7	0	0	109.1	V29 K30 R32 G36 I40 F56	V29-E38 CarbonylContact C-O 3.57Å; V29-E38 WeakPolarHBondContact CA-O 2.98Å; V29-E38 WeakPolarHBondContact CG1-O 2.92Å; K30-E38 HydrophobicContact CB-CB 4.32Å; K30-E38 PolarHBondContact N-O 3.2Å; K30-E38 PolarHBondContact O-N 2.97Å; R32-E38 IonicContact CZ-OE2 3.88Å; R32-E38 IonicContact NE-OE2 3.02Å; R32-E38 PolarHBondContact NE-OE2 3.4Å; R32-E38 IonicContact NH2-OE1 2.89Å; R32-E38 IonicContact NH2-OE2 3.34Å; R32-E38 PolarHBondContact NH2-OE2 3.04Å; G36-E38 PolarHBondContact O-N 2.73Å; E38-I40 PolarHBondContact O-N 2.85Å; E38-F56 HydrophobicContact CB-CE2 4.3Å; E38-F56 HydrophobicContact CB-CZ 4.18Å
39	W	94.8	Very high	92	Very high	68 Å²	68	58.7 Å²	58.7	26%	0.258	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.5	175.5	-177.9	72.7	0	0	0	110.2	H27 G41 R42 K51 D53	H27-W39 AromaticContact CG-NE1 3.85Å; H27-W39 AromaticContact ND1-CD1 3.9Å; H27-W39 AromaticContact ND1-CE2 3.96Å; H27-W39 AromaticContact ND1-NE1 3.11Å; H27-W39 PolarHBondContact ND1-NE1 2.92Å; H27-W39 VanDerWaalsContact ND1-NE1 3.11Å; W39-G41 VanDerWaalsContact CE2-C 3.47Å; W39-G41 PolarHBondContact NE1-O 3.18Å; W39-R42 HydrophobicContact CZ2-CB 3.98Å; W39-R42 HydrophobicContact CZ2-CG 4.01Å; W39-K51 HydrophobicContact CH2-CB 4.18Å; W39-K51 HydrophobicContact CH2-CD 4.08Å; W39-K51 HydrophobicContact CH2-CG 3.93Å; W39-D53 HydrophobicContact CE3-CB 3.9Å; W39-D53 HydrophobicContact CZ3-CB 4.16Å; W39-D53 VanDerWaalsContact O-CB 3.24Å; W39-D53 WeakPolarHBondContact O-CB 3.37Å
40	I	96.1	Very high	92	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-45.3	-178.7	-60	176.1	0	0	0	110.2	W28 K30 E38 D53 F56 A60 L73 Y86	W28-I40 HydrophobicContact CB-CB 4.13Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.39Å; W28-I40 PolarHBondContact O-N 3.49Å; K30-I40 HydrophobicContact CB-CD1 4.02Å; K30-I40 HydrophobicContact CB-CG1 4.15Å; E38-I40 PolarHBondContact O-N 2.85Å; I40-D53 PolarHBondContact O-N 2.67Å; I40-F56 HydrophobicContact CB-CD2 4.41Å; I40-F56 HydrophobicContact CB-CG 4.32Å; I40-F56 HydrophobicContact CG1-CD1 4.25Å; I40-F56 HydrophobicContact CG1-CD2 4.37Å; I40-F56 HydrophobicContact CG1-CE1 4.27Å; I40-F56 HydrophobicContact CG1-CE2 4.37Å; I40-F56 HydrophobicContact CG1-CG 4.3Å; I40-F56 HydrophobicContact CG1-CZ 4.32Å; I40-F56 HydrophobicContact CG2-CB 3.81Å; I40-F56 HydrophobicContact CG2-CD1 4.29Å; I40-F56 HydrophobicContact CG2-CD2 4.5Å; I40-F56 HydrophobicContact CG2-CG 3.96Å; I40-A60 HydrophobicContact CG2-CB 3.77Å; I40-L73 HydrophobicContact CD1-CD2 3.69Å; I40-L73 HydrophobicContact CG2-CD1 4.23Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.78Å
41	G	96	Very high	92.1	Very high	0 Å²	0	66 Å²	66	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.7	-179.9	-173.2	0	0	0	0	0	112.5	H27 W28 W39 K51 I62	H27-G41 WeakPolarHBondContact CA-O 3.27Å; W28-G41 PolarHBondContact N-O 3.25Å; W39-G41 VanDerWaalsContact CE2-C 3.47Å; W39-G41 PolarHBondContact NE1-O 3.18Å; G41-K51 CarbonylContact C-O 3.55Å; G41-K51 WeakPolarHBondContact CA-O 3Å; G41-I62 VanDerWaalsContact C-CD1 3.49Å
42	R	95.7	Very high	92.2	Very high	39 Å²	39	64.9 Å²	64.9	15%	0.147	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	159	172.7	74.4	-175.9	-167.7	154.2	4.7	112.2	M26 W39 T50 K51 D93	M26-R42 CarbonylContact O-C 3.5Å; M26-R42 WeakPolarHBondContact O-CA 3.33Å; M26-R42 WeakPolarHBondContact O-CB 3.5Å; W39-R42 HydrophobicContact CZ2-CB 3.98Å; W39-R42 HydrophobicContact CZ2-CG 4.01Å; R42-T50 VanDerWaalsContact O-CA 3.29Å; R42-T50 WeakPolarHBondContact O-CA 3.12Å; R42-K51 HydrophobicContact CG-CB 4.19Å; R42-K51 PolarHBondContact N-O 2.93Å; R42-K51 PolarHBondContact O-N 2.95Å; R42-D93 IonicContact CZ-OD2 3.81Å; R42-D93 IonicContact NH1-OD1 2.97Å; R42-D93 PolarHBondContact NH1-OD1 3.48Å; R42-D93 IonicContact NH1-OD2 2.67Å; R42-D93 PolarHBondContact NH1-OD2 3.47Å
43	V	95.6	Very high	92.5	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.018	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141	165.8	60.9	0	0	0	0	110.2	M26 P45 Y49 T50 I62 A64	M26-V43 HydrophobicContact CB-CG1 3.82Å; M26-V43 HydrophobicContact CG-CG1 4.41Å; M26-V43 PolarHBondContact N-O 3.13Å; M26-V43 PolarHBondContact O-N 3.33Å; V43-P45 WeakPolarHBondContact O-CD 3.42Å; V43-Y49 CarbonylContact C-O 3.58Å; V43-Y49 WeakPolarHBondContact CA-O 3.36Å; V43-T50 HydrophobicContact CB-CG2 3.89Å; V43-T50 HydrophobicContact CG2-CG2 3.8Å; V43-I62 HydrophobicContact CB-CG2 3.63Å; V43-I62 HydrophobicContact CG1-CG2 3.52Å; V43-A64 HydrophobicContact CG1-CB 4.13Å; V43-A64 HydrophobicContact CG2-CB 4.5Å
44	D	94.9	Very high	93.1	Very high	17 Å²	17	63.2 Å²	63.2	9%	0.091	34%	0.343	C	S	.	.			trans	-89.5	106.7	162.9	-174	-24.3	0	0	0	108.4	Y25 A46 N47 G48 Y49	Y25-D44 HydrophobicContact CD1-CB 3.74Å; Y25-D44 HydrophobicContact CE1-CB 3.55Å; Y25-D44 WeakPolarHBondContact CE1-OD2 3.43Å; D44-A46 PolarHBondContact O-N 3.49Å; D44-A46 VanDerWaalsContact OD1-CB 3.23Å; D44-A46 WeakPolarHBondContact OD1-CB 3Å; D44-A46 PolarHBondContact OD1-N 2.85Å; D44-N47 VanDerWaalsContact CB-OD1 3.32Å; D44-N47 WeakPolarHBondContact CB-OD1 3.17Å; D44-N47 VanDerWaalsContact CG-OD1 3.31Å; D44-N47 PolarHBondContact OD2-ND2 2.83Å; D44-N47 PolarHBondContact OD2-OD1 3.21Å; D44-G48 WeakPolarHBondContact O-CA 3.39Å; D44-G48 PolarHBondContact O-N 2.95Å; D44-Y49 PolarHBondContact N-O 3.46Å
45	P	94.4	Very high	93.5	Very high	12 Å²	12	61.8 Å²	61.8	8%	0.078	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-14.1	-177.4	-21	37.9	0	0	0	113.1	I21 T24 M26 V43 A64 T66	I21-P45 HydrophobicContact CD1-CG 4.47Å; I21-P45 HydrophobicContact CG1-CG 4.04Å; I21-P45 HydrophobicContact CG2-CB 4.05Å; I21-P45 VanDerWaalsContact O-CG 3.25Å; I21-P45 WeakPolarHBondContact O-CG 2.96Å; T24-P45 WeakPolarHBondContact O-CD 3.24Å; M26-P45 HydrophobicContact CG-CG 3.64Å; V43-P45 WeakPolarHBondContact O-CD 3.42Å; P45-A64 HydrophobicContact CB-CB 3.85Å; P45-A64 HydrophobicContact CG-CB 4.01Å; P45-T66 HydrophobicContact CB-CG2 3.98Å; P45-T66 VanDerWaalsContact O-CG2 3.31Å; P45-T66 WeakPolarHBondContact O-CG2 3.34Å
46	A	92.9	Very high	94.3	Very high	61 Å²	61	57.5 Å²	57.5	50%	0.504	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-36.3	179	0	0	0	0	0	112.4	K22 D44	K22-A46 HydrophobicContact CB-CB 4.41Å; D44-A46 PolarHBondContact O-N 3.49Å; D44-A46 VanDerWaalsContact OD1-CB 3.23Å; D44-A46 WeakPolarHBondContact OD1-CB 3Å; D44-A46 PolarHBondContact OD1-N 2.85Å
47	N	93.9	Very high	94.6	Very high	109 Å²	109	60.9 Å²	60.9	58%	0.583	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.8	-3.3	-176.2	59.8	36.9	0	0	0	114.1	D44 Y49	D44-N47 VanDerWaalsContact CB-OD1 3.32Å; D44-N47 WeakPolarHBondContact CB-OD1 3.17Å; D44-N47 VanDerWaalsContact CG-OD1 3.31Å; D44-N47 PolarHBondContact OD2-ND2 2.83Å; D44-N47 PolarHBondContact OD2-OD1 3.21Å; N47-Y49 VanDerWaalsContact C-N 3.29Å; N47-Y49 PolarHBondContact O-N 2.88Å; N47-Y49 WeakPolarHBondContact OD1-CB 3.1Å; N47-Y49 PolarHBondContact OD1-N 2.87Å
48	G	92.4	Very high	94.7	Very high	48 Å²	48	60.3 Å²	60.3	50%	0.495	33%	0.325	S	S	.	.			trans	77.7	6.3	-180	0	0	0	0	0	114.8	D44 T50	D44-G48 WeakPolarHBondContact O-CA 3.39Å; D44-G48 PolarHBondContact O-N 2.95Å; G48-T50 PolarHBondContact O-N 2.86Å
49	Y	94.7	Very high	94.7	Very high	133 Å²	133	61.4 Å²	61.4	52%	0.522	33%	0.33	S	S	.	.			trans	-62.7	132.1	179.1	176.9	-99.3	0	0	0	110.7	V43 D44 N47 K51	V43-Y49 CarbonylContact C-O 3.58Å; V43-Y49 WeakPolarHBondContact CA-O 3.36Å; D44-Y49 PolarHBondContact N-O 3.46Å; N47-Y49 VanDerWaalsContact C-N 3.29Å; N47-Y49 PolarHBondContact O-N 2.88Å; N47-Y49 WeakPolarHBondContact OD1-CB 3.1Å; N47-Y49 PolarHBondContact OD1-N 2.87Å; Y49-K51 HydrophobicContact CE1-CB 4.2Å
50	T	95.9	Very high	94.8	Very high	46 Å²	46	58.4 Å²	58.4	28%	0.282	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.2	178.8	51.2	0	0	0	0	111.2	R42 V43 G48 Y52 I62	R42-T50 VanDerWaalsContact O-CA 3.29Å; R42-T50 WeakPolarHBondContact O-CA 3.12Å; V43-T50 HydrophobicContact CB-CG2 3.89Å; V43-T50 HydrophobicContact CG2-CG2 3.8Å; G48-T50 PolarHBondContact O-N 2.86Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.34Å; T50-I62 HydrophobicContact CG2-CB 4.47Å
51	K	95.9	Very high	94.9	Very high	112 Å²	112	61.7 Å²	61.7	49%	0.487	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.3	171.3	-171.1	-175.1	177.3	179.9	0	108	W39 G41 R42 Y49	W39-K51 HydrophobicContact CH2-CB 4.18Å; W39-K51 HydrophobicContact CH2-CD 4.08Å; W39-K51 HydrophobicContact CH2-CG 3.93Å; G41-K51 CarbonylContact C-O 3.55Å; G41-K51 WeakPolarHBondContact CA-O 3Å; R42-K51 HydrophobicContact CG-CB 4.19Å; R42-K51 PolarHBondContact N-O 2.93Å; R42-K51 PolarHBondContact O-N 2.95Å; Y49-K51 HydrophobicContact CE1-CB 4.2Å
52	Y	96.8	Very high	95	Very high	49 Å²	49	61.9 Å²	61.9	19%	0.192	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	153.2	-178.2	-61.8	-89.1	0	0	0	110.3	T50 A60 I62	T50-Y52 WeakPolarHBondContact OG1-CE2 3.34Å; Y52-A60 HydrophobicContact CD1-CB 4.32Å; Y52-A60 HydrophobicContact CE1-CB 4.26Å; Y52-A60 WeakPolarHBondContact CE1-O 3.14Å; Y52-I62 HydrophobicContact CD1-CD1 4.08Å; Y52-I62 HydrophobicContact CE1-CB 4.23Å; Y52-I62 HydrophobicContact CE1-CD1 3.71Å; Y52-I62 HydrophobicContact CE1-CG1 3.78Å; Y52-I62 PolarHBondContact OH-N 3.06Å
53	D	95.5	Very high	95	Very high	43 Å²	43	63 Å²	63	23%	0.23	35%	0.352	C	S	.	.			trans	-72.7	134.1	156.8	-178.9	-61.1	0	0	0	108.4	W39 I40 K55 F56 Q57	W39-D53 HydrophobicContact CE3-CB 3.9Å; W39-D53 HydrophobicContact CZ3-CB 4.16Å; W39-D53 VanDerWaalsContact O-CB 3.24Å; W39-D53 WeakPolarHBondContact O-CB 3.37Å; I40-D53 PolarHBondContact O-N 2.67Å; D53-K55 PolarHBondContact O-N 2.78Å; D53-K55 VanDerWaalsContact OD1-CB 3.23Å; D53-K55 WeakPolarHBondContact OD1-CB 3.4Å; D53-K55 VanDerWaalsContact OD1-CG 3.3Å; D53-K55 WeakPolarHBondContact OD1-CG 3.49Å; D53-K55 PolarHBondContact OD1-N 3.17Å; D53-F56 HydrophobicContact CB-CD2 4.04Å; D53-F56 PolarHBondContact O-N 2.97Å; D53-Q57 PolarHBondContact O-N 3.11Å
54	P	95.3	Very high	95.1	Very high	105 Å²	105	64.6 Å²	64.6	68%	0.682	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-29.9	-178.3	-28.6	35.5	0	0	0	114.6	F56	P54-F56 PolarHBondContact O-N 2.83Å
55	K	92.6	Very high	95.1	Very high	154 Å²	154	66.4 Å²	66.4	67%	0.67	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-30.1	177.6	-65.8	173.1	177.9	176.3	0	113	D53	D53-K55 PolarHBondContact O-N 2.78Å; D53-K55 VanDerWaalsContact OD1-CB 3.23Å; D53-K55 WeakPolarHBondContact OD1-CB 3.4Å; D53-K55 VanDerWaalsContact OD1-CG 3.3Å; D53-K55 WeakPolarHBondContact OD1-CG 3.49Å; D53-K55 PolarHBondContact OD1-N 3.17Å
56	F	94.3	Very high	95.1	Very high	11 Å²	11	68.2 Å²	68.2	5%	0.048	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-13.1	-174.1	-62.5	-82.8	0	0	0	113.1	K30 E38 I40 D53 P54 A58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.88Å; K30-F56 HydrophobicContact CD-CZ 4.04Å; E38-F56 HydrophobicContact CB-CE2 4.3Å; E38-F56 HydrophobicContact CB-CZ 4.18Å; I40-F56 HydrophobicContact CB-CD2 4.41Å; I40-F56 HydrophobicContact CB-CG 4.32Å; I40-F56 HydrophobicContact CG1-CD1 4.25Å; I40-F56 HydrophobicContact CG1-CD2 4.37Å; I40-F56 HydrophobicContact CG1-CE1 4.27Å; I40-F56 HydrophobicContact CG1-CE2 4.37Å; I40-F56 HydrophobicContact CG1-CG 4.3Å; I40-F56 HydrophobicContact CG1-CZ 4.32Å; I40-F56 HydrophobicContact CG2-CB 3.81Å; I40-F56 HydrophobicContact CG2-CD1 4.29Å; I40-F56 HydrophobicContact CG2-CD2 4.5Å; I40-F56 HydrophobicContact CG2-CG 3.96Å; D53-F56 HydrophobicContact CB-CD2 4.04Å; D53-F56 PolarHBondContact O-N 2.97Å; P54-F56 PolarHBondContact O-N 2.83Å; F56-A58 PolarHBondContact O-N 3.08Å; F56-A58 VanDerWaalsContact O-N 3.08Å; F56-K59 PolarHBondContact O-N 3.32Å; F56-A60 HydrophobicContact CB-CB 4.14Å; F56-A60 WeakPolarHBondContact O-CB 3.36Å; F56-A60 PolarHBondContact O-N 3.31Å
57	Q	93.8	Very high	95.1	Very high	127 Å²	127	70.4 Å²	70.4	59%	0.593	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.7	-173.4	-172.2	174	-2.7	0	0	114.4	D53	D53-Q57 PolarHBondContact O-N 3.11Å
58	A	93.6	Very high	95.2	Very high	96 Å²	96	67 Å²	67	79%	0.793	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-20	178.7	0	0	0	0	0	114.2	F56	F56-A58 PolarHBondContact O-N 3.08Å; F56-A58 VanDerWaalsContact O-N 3.08Å
59	K	94.6	Very high	95.3	Very high	57 Å²	57	66 Å²	66	25%	0.248	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-29	-173.2	-73.4	-175.4	167.9	-170.9	0	113.6	F56 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.32Å; K59-L75 WeakPolarHBondContact O-CA 3.47Å; K59-S76 PolarHBondContact O-N 2.83Å; K59-S76 PolarHBondContact O-OG 3.46Å; K59-D82 IonicContact NZ-OD1 3.51Å; K59-D82 IonicContact NZ-OD2 3.23Å; K59-D82 PolarHBondContact NZ-OD2 2.79Å
60	A	96.8	Very high	95.4	Very high	4 Å²	4	60.1 Å²	60.1	3%	0.033	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	136.7	-172.5	0	0	0	0	0	111.6	I40 Y52 F56 L73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.77Å; Y52-A60 HydrophobicContact CD1-CB 4.32Å; Y52-A60 HydrophobicContact CE1-CB 4.26Å; Y52-A60 WeakPolarHBondContact CE1-O 3.14Å; F56-A60 HydrophobicContact CB-CB 4.14Å; F56-A60 WeakPolarHBondContact O-CB 3.36Å; F56-A60 PolarHBondContact O-N 3.31Å; A60-L73 HydrophobicContact CB-CD1 3.9Å; A60-Q74 CarbonylContact C-O 3.59Å; A60-Q74 WeakPolarHBondContact CA-O 3.49Å; A60-L75 HydrophobicContact CB-CD2 3.97Å
61	T	97.8	Very high	95.4	Very high	70 Å²	70	57.9 Å²	57.9	43%	0.429	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.7	167.5	-60.2	0	0	0	0	108.2	T63 Q74	T61-T63 HydrophobicContact CG2-CG2 4.33Å; T61-Q74 PolarHBondContact N-O 3.26Å; T61-Q74 PolarHBondContact O-N 3.41Å
62	I	97.5	Very high	95.4	Very high	4 Å²	4	55 Å²	55	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	132.2	179.3	-59.4	166.2	0	0	0	108.8	W28 G41 V43 T50 Y52 Y72 L73	W28-I62 HydrophobicContact CB-CD1 4.46Å; G41-I62 VanDerWaalsContact C-CD1 3.49Å; V43-I62 HydrophobicContact CB-CG2 3.63Å; V43-I62 HydrophobicContact CG1-CG2 3.52Å; T50-I62 HydrophobicContact CG2-CB 4.47Å; Y52-I62 HydrophobicContact CD1-CD1 4.08Å; Y52-I62 HydrophobicContact CE1-CB 4.23Å; Y52-I62 HydrophobicContact CE1-CD1 3.71Å; Y52-I62 HydrophobicContact CE1-CG1 3.78Å; Y52-I62 PolarHBondContact OH-N 3.06Å; I62-Y72 WeakPolarHBondContact CA-O 3.45Å; I62-L73 HydrophobicContact CG1-CD1 3.85Å
63	T	96.9	Very high	95.5	Very high	63 Å²	63	52.7 Å²	52.7	39%	0.387	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	165.3	177.1	53.6	0	0	0	0	110.4	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.33Å; T63-Y72 PolarHBondContact N-O 2.91Å; T63-Y72 PolarHBondContact O-N 3.01Å
64	A	96.1	Very high	95.6	Very high	35 Å²	35	54.8 Å²	54.8	29%	0.289	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	141.9	174	0	0	0	0	0	110.8	V43 P45 T70	V43-A64 HydrophobicContact CG1-CB 4.13Å; V43-A64 HydrophobicContact CG2-CB 4.5Å; P45-A64 HydrophobicContact CB-CB 3.85Å; P45-A64 HydrophobicContact CG-CB 4.01Å; A64-T70 WeakPolarHBondContact CA-O 3.13Å
65	D	95.4	Very high	95.6	Very high	55 Å²	55	50 Å²	50	29%	0.294	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	108	169.2	175.1	9.8	0	0	0	109	S67 S68 N69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.83Å; D65-S67 WeakPolarHBondContact OD1-CB 3.29Å; D65-S67 PolarHBondContact OD1-N 2.94Å; D65-S67 PolarHBondContact OD1-OG 3.08Å; D65-S67 PolarHBondContact OD2-OG 2.01Å; D65-S68 WeakPolarHBondContact CB-OG 3.39Å; D65-S68 PolarHBondContact OD1-N 2.88Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.07Å; D65-S68 PolarHBondContact OD2-OG 3.05Å; D65-N69 PolarHBondContact O-N 2.81Å; D65-T70 PolarHBondContact N-O 2.83Å; D65-T70 PolarHBondContact O-N 3.01Å; D65-Y72 HydrophobicContact CB-CE2 3.91Å
66	T	94.4	Very high	95.7	Very high	50 Å²	50	44.4 Å²	44.4	31%	0.307	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-17.9	-177.6	66.9	0	0	0	0	113.2	I21 K22 P45	I21-T66 HydrophobicContact CG2-CG2 4.15Å; K22-T66 HydrophobicContact CD-CG2 4.2Å; K22-T66 VanDerWaalsContact CE-CG2 3.47Å; K22-T66 WeakPolarHBondContact CE-OG1 3.4Å; K22-T66 HydrophobicContact CG-CG2 3.63Å; P45-T66 HydrophobicContact CB-CG2 3.98Å; P45-T66 VanDerWaalsContact O-CG2 3.31Å; P45-T66 WeakPolarHBondContact O-CG2 3.34Å
67	S	93.6	Very high	95.7	Very high	108 Å²	108	47.4 Å²	47.4	76%	0.755	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-36.3	176	73.5	0	0	0	0	111.7	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.83Å; D65-S67 WeakPolarHBondContact OD1-CB 3.29Å; D65-S67 PolarHBondContact OD1-N 2.94Å; D65-S67 PolarHBondContact OD1-OG 3.08Å; D65-S67 PolarHBondContact OD2-OG 2.01Å
68	S	95.3	Very high	95.6	Very high	37 Å²	37	42 Å²	42	26%	0.259	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	2	178.4	66.1	0	0	0	0	113.8	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.39Å; D65-S68 PolarHBondContact OD1-N 2.88Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.07Å; D65-S68 PolarHBondContact OD2-OG 3.05Å; S68-T70 VanDerWaalsContact C-N 3.25Å; S68-T70 PolarHBondContact O-N 3.03Å; S68-T70 PolarHBondContact O-OG1 2.79Å; S68-T70 PolarHBondContact OG-OG1 2.84Å
69	N	94.3	Very high	95.5	Very high	27 Å²	27	40.2 Å²	40.2	14%	0.144	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	40.5	-177.7	-144.1	50.2	0	0	0	112.5	Y16 F19 I21 D65	Y16-N69 PolarHBondContact N-O 2.97Å; Y16-N69 PolarHBondContact O-ND2 3.32Å; F19-N69 PolarHBondContact O-ND2 2.78Å; I21-N69 WeakPolarHBondContact CB-OD1 3.39Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.31Å; I21-N69 PolarHBondContact N-OD1 2.62Å; D65-N69 PolarHBondContact O-N 2.81Å
70	T	96.1	Very high	95.2	Very high	9 Å²	9	42.4 Å²	42.4	6%	0.055	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.8	-170.4	-56.5	0	0	0	0	111.8	C14 K15 A64 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.6Å; C14-T70 WeakPolarHBondContact O-CA 3.36Å; K15-T70 HydrophobicContact CB-CG2 4.44Å; A64-T70 WeakPolarHBondContact CA-O 3.13Å; D65-T70 PolarHBondContact N-O 2.83Å; D65-T70 PolarHBondContact O-N 3.01Å; S68-T70 VanDerWaalsContact C-N 3.25Å; S68-T70 PolarHBondContact O-N 3.03Å; S68-T70 PolarHBondContact O-OG1 2.79Å; S68-T70 PolarHBondContact OG-OG1 2.84Å; T70-Y72 HydrophobicContact CG2-CD1 4.24Å; T70-Y72 HydrophobicContact CG2-CE1 3.6Å; T70-Y72 HydrophobicContact CG2-CE2 3.98Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.44Å
71	A	96	Very high	94.8	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	150.6	168.4	0	0	0	0	0	110.5	S13 C14 Y16 I21 M26 W28	S13-A71 CarbonylContact C-O 3.56Å; S13-A71 WeakPolarHBondContact CA-O 3.49Å; C14-A71 PolarHBondContact N-O 3.02Å; C14-A71 PolarHBondContact O-N 2.87Å; Y16-A71 HydrophobicContact CE2-CB 4.41Å; I21-A71 HydrophobicContact CD1-CB 4.14Å; M26-A71 HydrophobicContact CB-CB 4.2Å; M26-A71 HydrophobicContact CG-CB 4.28Å; W28-A71 HydrophobicContact CZ2-CB 4.32Å
72	Y	97.5	Very high	94.4	Very high	51 Å²	51	45.5 Å²	45.5	20%	0.2	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.5	178.6	-55.4	-82.2	0	0	0	111.4	K11 L12 I62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.46Å; K11-Y72 VanDerWaalsContact CE-CD1 3.4Å; K11-Y72 VanDerWaalsContact CE-CG 3.49Å; K11-Y72 HydrophobicContact CG-CD1 4.49Å; L12-Y72 VanDerWaalsContact O-CA 3.25Å; L12-Y72 WeakPolarHBondContact O-CA 3.41Å; I62-Y72 WeakPolarHBondContact CA-O 3.45Å; T63-Y72 PolarHBondContact N-O 2.91Å; T63-Y72 PolarHBondContact O-N 3.01Å; D65-Y72 HydrophobicContact CB-CE2 3.91Å; T70-Y72 HydrophobicContact CG2-CD1 4.24Å; T70-Y72 HydrophobicContact CG2-CE1 3.6Å; T70-Y72 HydrophobicContact CG2-CE2 3.98Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.44Å
73	L	97.9	Very high	94.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	117	168.7	168.9	65.5	0	0	0	108.1	K11 L12 W28 I40 A60 I62 L75 Y86	K11-L73 CarbonylContact C-O 3.58Å; K11-L73 WeakPolarHBondContact CA-O 3.46Å; L12-L73 HydrophobicContact CB-CB 4.43Å; L12-L73 HydrophobicContact CD1-CD2 4.29Å; L12-L73 PolarHBondContact N-O 3.41Å; L12-L73 PolarHBondContact O-N 2.9Å; W28-L73 HydrophobicContact CB-CD2 4.13Å; W28-L73 HydrophobicContact CD2-CB 3.47Å; W28-L73 VanDerWaalsContact CD2-CB 3.47Å; W28-L73 HydrophobicContact CD2-CD2 3.86Å; W28-L73 HydrophobicContact CD2-CG 4.24Å; W28-L73 VanDerWaalsContact CE2-CB 3.48Å; W28-L73 HydrophobicContact CE3-CB 3.69Å; W28-L73 HydrophobicContact CE3-CD2 3.62Å; W28-L73 HydrophobicContact CE3-CG 4.31Å; W28-L73 HydrophobicContact CG-CB 4Å; W28-L73 HydrophobicContact CG-CD2 4.1Å; W28-L73 HydrophobicContact CG-CG 4.48Å; W28-L73 HydrophobicContact CH2-CB 3.93Å; W28-L73 HydrophobicContact CZ2-CB 3.73Å; W28-L73 HydrophobicContact CZ3-CB 3.91Å; W28-L73 HydrophobicContact CZ3-CD2 4.29Å; I40-L73 HydrophobicContact CD1-CD2 3.69Å; I40-L73 HydrophobicContact CG2-CD1 4.23Å; A60-L73 HydrophobicContact CB-CD1 3.9Å; I62-L73 HydrophobicContact CG1-CD1 3.85Å; L73-L75 HydrophobicContact CD1-CD2 4.04Å; L73-L75 HydrophobicContact CD1-CG 4.33Å; L73-L75 HydrophobicContact CD2-CD1 4.28Å; L73-L75 HydrophobicContact CD2-CD2 4.34Å; L73-L75 HydrophobicContact CD2-CG 4.25Å; L73-L75 HydrophobicContact CG-CD2 4.28Å; L73-L75 HydrophobicContact CG-CG 4.08Å; L73-Y86 HydrophobicContact CD2-CD1 4.11Å
74	Q	97.4	Very high	94	Very high	88 Å²	88	48.8 Å²	48.8	41%	0.411	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.5	169.8	-177.9	170.9	-1.2	0	0	109.1	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.54Å; V10-Q74 VanDerWaalsContact O-CA 3.31Å; V10-Q74 WeakPolarHBondContact O-CA 3.4Å; A60-Q74 CarbonylContact C-O 3.59Å; A60-Q74 WeakPolarHBondContact CA-O 3.49Å; T61-Q74 PolarHBondContact N-O 3.26Å; T61-Q74 PolarHBondContact O-N 3.41Å
75	L	96.3	Very high	93.9	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.2	173.9	-63.2	166.8	0	0	0	108.3	S9 V10 K59 A60 L73 L78 Y86	S9-L75 CarbonylContact C-O 3.37Å; S9-L75 WeakPolarHBondContact CA-O 3.34Å; S9-L75 WeakPolarHBondContact CB-O 3.44Å; V10-L75 HydrophobicContact CG1-CB 3.99Å; V10-L75 HydrophobicContact CG1-CD1 4.25Å; V10-L75 PolarHBondContact N-O 2.86Å; V10-L75 PolarHBondContact O-N 3.45Å; K59-L75 WeakPolarHBondContact O-CA 3.47Å; A60-L75 HydrophobicContact CB-CD2 3.97Å; L73-L75 HydrophobicContact CD1-CD2 4.04Å; L73-L75 HydrophobicContact CD1-CG 4.33Å; L73-L75 HydrophobicContact CD2-CD1 4.28Å; L73-L75 HydrophobicContact CD2-CD2 4.34Å; L73-L75 HydrophobicContact CD2-CG 4.25Å; L73-L75 HydrophobicContact CG-CD2 4.28Å; L73-L75 HydrophobicContact CG-CG 4.08Å; L75-L78 HydrophobicContact CB-CD2 3.69Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; L75-Y86 HydrophobicContact CD1-CD1 4.17Å; L75-Y86 HydrophobicContact CD1-CE1 3.49Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.49Å; L75-Y86 HydrophobicContact CD1-CE2 4.34Å
76	S	95.1	Very high	93.9	Very high	37 Å²	37	50.2 Å²	50.2	26%	0.259	30%	0.298	S	S	.	.			trans	-107.3	157.8	177.9	58.8	0	0	0	0	112.2	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.48Å; K59-S76 PolarHBondContact O-N 2.83Å; K59-S76 PolarHBondContact O-OG 3.46Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 3.02Å
77	S	93.1	Very high	93.9	Very high	73 Å²	73	53 Å²	53	51%	0.51	30%	0.303	S	S	.	.	S	Bend	trans	53.2	49.7	173.1	-58.3	0	0	0	0	112.9	A8	A8-S77 PolarHBondContact O-N 2.8Å
78	L	92.3	Very high	93.9	Very high	13 Å²	13	50 Å²	50	7%	0.068	28%	0.282	C	S	.	.			trans	-62	136.2	-173.8	-67.9	170.4	0	0	0	112.2	V4 G7 A8 V10 L75 S76 D82	V4-L78 HydrophobicContact CB-CD1 4.31Å; V4-L78 HydrophobicContact CG2-CD1 3.4Å; G7-L78 PolarHBondContact N-O 2.88Å; A8-L78 WeakPolarHBondContact O-CB 3.25Å; A8-L78 WeakPolarHBondContact O-CG 3.25Å; A8-L78 PolarHBondContact O-N 3.05Å; A8-L78 VanDerWaalsContact O-N 3.08Å; V10-L78 HydrophobicContact CB-CD1 3.95Å; V10-L78 HydrophobicContact CG1-CD1 3.72Å; V10-L78 HydrophobicContact CG1-CD2 4.36Å; L75-L78 HydrophobicContact CB-CD2 3.69Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 3.02Å; L78-D82 HydrophobicContact CD2-CB 3.7Å
79	T	91.5	Very high	93.7	Very high	59 Å²	59	49.1 Å²	49.1	36%	0.362	28%	0.277	S	S	.	.			trans	-115.5	174	173.8	66.5	0	0	0	0	111	E81 D82	T79-E81 PolarHBondContact O-N 2.82Å; T79-D82 PolarHBondContact N-OD2 2.79Å; T79-D82 WeakPolarHBondContact O-CB 3.49Å; T79-D82 PolarHBondContact O-N 3.42Å; T79-D82 PolarHBondContact OG1-OD2 2.85Å
80	S	88.5	Confident	93.3	Very high	103 Å²	103	50.8 Å²	50.8	72%	0.72	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-55.6	-32.7	174.4	49.6	0	0	0	0	112.5	D82 T83	S80-D82 PolarHBondContact O-N 2.96Å; S80-T83 VanDerWaalsContact O-CB 3.28Å; S80-T83 WeakPolarHBondContact O-CB 3.19Å; S80-T83 PolarHBondContact O-N 3.37Å; S80-T83 VanDerWaalsContact O-N 3.13Å; S80-T83 PolarHBondContact O-OG1 2.91Å
81	E	87.6	Confident	92.2	Very high	123 Å²	123	56 Å²	56	58%	0.575	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-64.8	-21.1	176.7	-60.7	-178.6	175.3	0	0	113.4	K30 R32 T79 T83	K30-E81 WeakPolarHBondContact CE-O 3.46Å; K30-E81 PolarHBondContact NZ-O 2.8Å; R32-E81 PolarHBondContact NH1-O 3.05Å; T79-E81 PolarHBondContact O-N 2.82Å; E81-T83 VanDerWaalsContact C-N 3.26Å
82	D	90.6	Very high	90.4	Very high	16 Å²	16	64.2 Å²	64.2	9%	0.086	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-84.1	-1.4	178.3	-61.9	-43.5	0	0	0	112.8	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.87Å; K30-D82 PolarHBondContact NZ-OD1 3.11Å; K59-D82 IonicContact NZ-OD1 3.51Å; K59-D82 IonicContact NZ-OD2 3.23Å; K59-D82 PolarHBondContact NZ-OD2 2.79Å; L78-D82 HydrophobicContact CD2-CB 3.7Å; T79-D82 PolarHBondContact N-OD2 2.79Å; T79-D82 WeakPolarHBondContact O-CB 3.49Å; T79-D82 PolarHBondContact O-N 3.42Å; T79-D82 PolarHBondContact OG1-OD2 2.85Å; S80-D82 PolarHBondContact O-N 2.96Å; D82-A84 PolarHBondContact O-N 3.26Å; D82-A84 VanDerWaalsContact O-N 3.15Å; D82-Y86 WeakPolarHBondContact O-CE2 3.23Å; D82-Y86 PolarHBondContact O-OH 3.32Å
83	T	91.5	Very high	88.4	Confident	110 Å²	110	65.4 Å²	65.4	68%	0.675	35%	0.351	S	S	*	.			trans	-71.3	106.2	171.8	-50.1	0	0	0	0	109.9	S80 E81	S80-T83 VanDerWaalsContact O-CB 3.28Å; S80-T83 WeakPolarHBondContact O-CB 3.19Å; S80-T83 PolarHBondContact O-N 3.37Å; S80-T83 VanDerWaalsContact O-N 3.13Å; S80-T83 PolarHBondContact O-OG1 2.91Å; E81-T83 VanDerWaalsContact C-N 3.26Å
84	A	93.1	Very high	86	Confident	27 Å²	27	70.1 Å²	70.1	22%	0.223	38%	0.384	C	S	.	.	S	Bend	trans	-161	169.4	-173.3	0	0	0	0	0	110.4	K30 Q31 R32 D82 Y86	K30-A84 HydrophobicContact CD-CB 4.12Å; K30-A84 HydrophobicContact CG-CB 3.42Å; K30-A84 VanDerWaalsContact CG-CB 3.42Å; Q31-A84 WeakPolarHBondContact O-CA 3.44Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.43Å; R32-A84 HydrophobicContact CG-CB 4.07Å; D82-A84 PolarHBondContact O-N 3.26Å; D82-A84 VanDerWaalsContact O-N 3.15Å; A84-Y86 HydrophobicContact CB-CD2 4.46Å; A84-Y86 HydrophobicContact CB-CE2 3.9Å; A84-Y86 WeakPolarHBondContact O-CD2 3.32Å
85	V	94.3	Very high	83.6	Confident	73 Å²	73	77.2 Å²	77.2	44%	0.442	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	132.7	162.6	-170.9	0	0	0	0	108.1	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.96Å; Q31-V85 PolarHBondContact O-N 2.76Å; V85-Y87 HydrophobicContact CB-CE2 3.81Å; V85-Y87 HydrophobicContact CG1-CD2 4.22Å; V85-Y87 HydrophobicContact CG1-CE1 4.03Å; V85-Y87 HydrophobicContact CG1-CE2 3.48Å; V85-Y87 VanDerWaalsContact CG1-CE2 3.48Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.16Å
86	Y	95.3	Very high	80.9	Confident	47 Å²	47	84.1 Å²	84.1	18%	0.184	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.4	179.4	-68.6	-93.8	0	0	0	109.4	L12 V29 K30 I40 L73 L75 D82 A84	L12-Y86 VanDerWaalsContact CD1-CB 3.49Å; L12-Y86 HydrophobicContact CD1-CD1 4.18Å; L12-Y86 HydrophobicContact CD1-CD2 4.05Å; L12-Y86 HydrophobicContact CD1-CG 3.65Å; V29-Y86 CarbonylContact O-C 3.5Å; V29-Y86 WeakPolarHBondContact O-CA 3.09Å; K30-Y86 HydrophobicContact CB-CD1 4.27Å; K30-Y86 HydrophobicContact CB-CE1 4.01Å; K30-Y86 HydrophobicContact CD-CE1 4.15Å; K30-Y86 HydrophobicContact CG-CD1 4.42Å; K30-Y86 HydrophobicContact CG-CE1 3.85Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.78Å; L73-Y86 HydrophobicContact CD2-CD1 4.11Å; L75-Y86 HydrophobicContact CD1-CD1 4.17Å; L75-Y86 HydrophobicContact CD1-CE1 3.49Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.49Å; L75-Y86 HydrophobicContact CD1-CE2 4.34Å; D82-Y86 WeakPolarHBondContact O-CE2 3.23Å; D82-Y86 PolarHBondContact O-OH 3.32Å; A84-Y86 HydrophobicContact CB-CD2 4.46Å; A84-Y86 HydrophobicContact CB-CE2 3.9Å; A84-Y86 WeakPolarHBondContact O-CD2 3.32Å
87	Y	94.6	Very high	80.1	Confident	107 Å²	107	86.5 Å²	86.5	42%	0.42	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	144.2	-180	-62.3	-83.9	0	0	0	110.2	W28 V29 Q31 V85	W28-Y87 WeakPolarHBondContact CA-O 3.34Å; V29-Y87 PolarHBondContact N-O 3.45Å; V29-Y87 PolarHBondContact O-N 2.87Å; Q31-Y87 HydrophobicContact CB-CD2 4.21Å; Q31-Y87 HydrophobicContact CB-CE2 3.76Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.24Å; Q31-Y87 PolarHBondContact OE1-OH 3.34Å; V85-Y87 HydrophobicContact CB-CE2 3.81Å; V85-Y87 HydrophobicContact CG1-CD2 4.22Å; V85-Y87 HydrophobicContact CG1-CE1 4.03Å; V85-Y87 HydrophobicContact CG1-CE2 3.48Å; V85-Y87 VanDerWaalsContact CG1-CE2 3.48Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.16Å
88	C	93.8	Very high	79.5	Confident	45 Å²	45	87.2 Å²	87.2	30%	0.304	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	142.9	162.9	54.5	0	0	0	0	108.8	C14 H27 W28	C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.31Å; C14-C88 WeakPolarHBondContact SG-CB 3.31Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.98Å; H27-C88 CarbonylContact O-C 3.53Å; H27-C88 VanDerWaalsContact O-CA 3.27Å; H27-C88 WeakPolarHBondContact O-CA 3.44Å; W28-C88 HydrophobicContact CD2-CB 4.42Å; W28-C88 HydrophobicContact CE3-CB 4.26Å; W28-C88 HydrophobicContact CH2-CB 4.27Å; W28-C88 HydrophobicContact CZ2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.19Å
89	A	90.4	Very high	78.7	Confident	19 Å²	19	91.3 Å²	91.3	16%	0.157	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	147.6	178.1	0	0	0	0	0	111.4	Y16 H27	Y16-A89 PolarHBondContact OH-N 3.04Å; H27-A89 PolarHBondContact N-O 3.4Å; H27-A89 PolarHBondContact O-N 2.95Å
90	N	85.8	Confident	78	Confident	63 Å²	63	93.2 Å²	93.2	34%	0.337	52%	0.521	S	S	.	.			trans	-101.8	94	164.7	63.5	-36.8	0	0	0	108.1	Y16 F19 T24 M26	Y16-N90 HydrophobicContact CE1-CB 4.39Å; F19-N90 HydrophobicContact CZ-CB 4.31Å; F19-N90 WeakPolarHBondContact CZ-ND2 3.16Å; T24-N90 HydrophobicContact CG2-CB 4.24Å; M26-N90 HydrophobicContact CE-CB 3.43Å; M26-N90 VanDerWaalsContact CE-CB 3.43Å
91	W	73.9	Confident	77.3	Confident	118 Å²	118	92.6 Å²	92.6	45%	0.447	51%	0.508	S	S	.	.			trans	-90.1	128.8	169.8	-66.7	-26.1	0	0	0	108.1	V29 D93	V29-W91 HydrophobicContact CG2-CH2 4.05Å; W91-D93 PolarHBondContact O-N 2.62Å
92	F	59.1	Low	76.7	Confident	173 Å²	173	90.5 Å²	90.5	76%	0.759	50%	0.504	S	S	*	.			trans	-61.9	118.5	157.7	-70.7	-82.7	0	0	0	105.8	S94	F92-S94 PolarHBondContact O-N 2.62Å; F92-S94 PolarHBondContact O-OG 3.28Å
93	D	55.5	Low	75.7	Confident	76 Å²	76	95.9 Å²	95.9	41%	0.406	53%	0.534	S	S	.	.	S	Bend	trans	-56.1	72.9	-172.8	-74.6	-28.8	0	0	0	112.8	Y25 H27 R42 W91 W95	Y25-D93 WeakPolarHBondContact CD2-OD2 3.46Å; Y25-D93 WeakPolarHBondContact CE2-OD2 3.36Å; H27-D93 IonicContact CE1-OD1 3.76Å; H27-D93 IonicContact NE2-OD1 2.87Å; R42-D93 IonicContact CZ-OD2 3.81Å; R42-D93 IonicContact NH1-OD1 2.97Å; R42-D93 PolarHBondContact NH1-OD1 3.48Å; R42-D93 IonicContact NH1-OD2 2.67Å; R42-D93 PolarHBondContact NH1-OD2 3.47Å; W91-D93 PolarHBondContact O-N 2.62Å; D93-W95 PolarHBondContact O-N 2.89Å
94	S	46.4	Very low	74.4	Confident	99 Å²	99	94.8 Å²	94.8	69%	0.692	52%	0.523	S	S	*	.			trans	-89.4	9.9	174.5	-41.5	0	0	0	0	111	F92	F92-S94 PolarHBondContact O-N 2.62Å; F92-S94 PolarHBondContact O-OG 3.28Å
95	W	46.3	Very low	72.9	Confident	237 Å²	237	100.4 Å²	100.4	90%	0.898	55%	0.548	S	S	*	.			trans	-130	81.9	-177.1	-67.8	91.6	0	0	0	109.2	D93	D93-W95 PolarHBondContact O-N 2.89Å
96	G	39.3	Very low	71	Confident	148 Å²	148	102.9 Å²	102.9	100%	1.526	56%	0.557	S	S	*	*			trans	143	0	172.2	0	0	0	0	0	112.6

Retrieved 96 of 96 residues in 35 ms (Link to these results)

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