X5J4H6_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4H6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 105 aa.

						>X5J4H6_MOUSE|X5J4H6
AELVKPGASVKLSCKYSGFNIKDTYMHWVKQRPEQGLERIGRVDPANGYTKYDPKFQAKATITADTSSNTAYLQLSSLTSEDTAVYYCANWFDSWGQGTTLTVSS
					

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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	80.2	Confident	92.9	Very high	113 Å²	113	76.2 Å²	76.2	93%	0.934	46%	0.463	S	S	*	.				0	143.4	0	0	0	0	0	0	108.3	T100	A1-T100 CarbonylContact C-O 3.51Å; A1-T100 WeakPolarHBondContact CA-O 3.35Å
2	E	87.8	Confident	93.2	Very high	61 Å²	61	70 Å²	70	29%	0.285	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.1	-179	-69.3	-179.9	159.3	0	0	109.5	V10 L12 T99 T100 L101 T102	E2-V10 WeakPolarHBondContact OE2-CG2 3.47Å; E2-L12 WeakPolarHBondContact OE2-CD2 3.28Å; E2-T99 HydrophobicContact CG-CG2 4.4Å; E2-T100 PolarHBondContact N-O 3.5Å; E2-L101 HydrophobicContact CB-CD1 3.85Å; E2-L101 WeakPolarHBondContact O-CA 3.44Å; E2-T102 PolarHBondContact O-N 3.29Å
3	L	92.4	Very high	93.3	Very high	128 Å²	128	70.4 Å²	70.4	67%	0.67	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.6	175.8	-177	66.9	0	0	0	108.5	T102 S104	L3-T102 WeakPolarHBondContact CA-O 3.29Å; L3-T102 HydrophobicContact CD1-CG2 3.7Å; L3-S104 WeakPolarHBondContact CD1-OG 3.38Å
4	V	94.5	Very high	93.3	Very high	24 Å²	24	66.2 Å²	66.2	15%	0.145	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	154.3	-174.6	-60.9	0	0	0	0	111.4	A8 V10 L78 L101 T102 V103 S104	V4-A8 HydrophobicContact CB-CB 4.38Å; V4-V10 HydrophobicContact CG1-CG2 4.25Å; V4-L78 HydrophobicContact CG2-CD1 3.58Å; V4-L101 HydrophobicContact CG1-CD1 4.3Å; V4-L101 HydrophobicContact CG2-CD1 3.82Å; V4-T102 PolarHBondContact N-O 3.49Å; V4-V103 HydrophobicContact CG2-CB 4.39Å; V4-V103 HydrophobicContact CG2-CG1 4.42Å; V4-V103 HydrophobicContact CG2-CG2 3.82Å; V4-V103 WeakPolarHBondContact O-CA 3.04Å; V4-S104 PolarHBondContact O-N 2.63Å
5	K	94.2	Very high	93.2	Very high	149 Å²	149	72.5 Å²	72.5	65%	0.648	43%	0.428	S	S	*	.			trans	-81.5	151.7	176.3	-65.2	-176	178.7	-175.8	0	110.9	A8	K5-A8 WeakPolarHBondContact O-CB 3.41Å; K5-A8 PolarHBondContact O-N 3.46Å; K5-A8 VanDerWaalsContact O-N 3.16Å
6	P	95.4	Very high	92.7	Very high	75 Å²	75	69.5 Å²	69.5	49%	0.487	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	141.4	169.9	-25.2	33.9	0	0	0	112.1	A8 L78 V103	P6-A8 PolarHBondContact O-N 3.04Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 3.49Å; P6-V103 HydrophobicContact CB-CG1 4.45Å; P6-V103 HydrophobicContact CG-CG1 4.18Å
7	G	93.9	Very high	92.3	Very high	54 Å²	54	71.6 Å²	71.6	56%	0.557	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	-12.7	-177	0	0	0	0	0	114.8	L78	G7-L78 PolarHBondContact N-O 2.87Å
8	A	95.3	Very high	91.9	Very high	36 Å²	36	72.7 Å²	72.7	30%	0.298	46%	0.455	S	S	.	.			trans	-68.2	166.2	176.1	0	0	0	0	0	112	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.38Å; K5-A8 WeakPolarHBondContact O-CB 3.41Å; K5-A8 PolarHBondContact O-N 3.46Å; K5-A8 VanDerWaalsContact O-N 3.16Å; P6-A8 PolarHBondContact O-N 3.04Å; A8-S77 PolarHBondContact O-N 2.93Å; A8-L78 WeakPolarHBondContact O-CB 3.36Å; A8-L78 WeakPolarHBondContact O-CG 3.42Å; A8-L78 PolarHBondContact O-N 2.84Å
9	S	96	Very high	91.4	Very high	70 Å²	70	72.8 Å²	72.8	49%	0.49	45%	0.448	S	S	.	.			trans	-115	149	169.2	-57.1	0	0	0	0	109.7	L75 S76	S9-L75 CarbonylContact C-O 3.56Å; S9-L75 WeakPolarHBondContact CA-O 3.24Å; S9-L75 WeakPolarHBondContact CB-O 2.9Å; S9-S76 WeakPolarHBondContact OG-CA 3.47Å
10	V	95.9	Very high	91.3	Very high	16 Å²	16	72.7 Å²	72.7	10%	0.097	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	149.9	178.8	83.3	0	0	0	0	111	E2 V4 L12 Q74 L75 L78 L101	E2-V10 WeakPolarHBondContact OE2-CG2 3.47Å; V4-V10 HydrophobicContact CG1-CG2 4.25Å; V10-L12 HydrophobicContact CG1-CD2 4.46Å; V10-L12 HydrophobicContact CG1-CG 4.47Å; V10-Q74 CarbonylContact O-C 3.37Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.31Å; V10-L75 HydrophobicContact CG1-CB 4.3Å; V10-L75 HydrophobicContact CG1-CD1 4.48Å; V10-L75 PolarHBondContact N-O 3.4Å; V10-L75 PolarHBondContact O-N 2.76Å; V10-L78 HydrophobicContact CB-CD1 3.99Å; V10-L78 HydrophobicContact CG1-CD1 3.85Å; V10-L101 HydrophobicContact CG1-CD1 4.04Å; V10-L101 HydrophobicContact CG1-CD2 3.98Å; V10-L101 HydrophobicContact CG2-CD1 4.41Å
11	K	96.6	Very high	91.3	Very high	112 Å²	112	69.2 Å²	69.2	49%	0.487	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	103.4	178.5	-175.8	179	177	-178.8	0	109.6	Y72	K11-Y72 HydrophobicContact CD-CD1 4.41Å; K11-Y72 VanDerWaalsContact CE-CG 3.45Å; K11-Y72 HydrophobicContact CG-CD1 4.4Å
12	L	96	Very high	91.8	Very high	2 Å²	2	68.2 Å²	68.2	1%	0.01	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	145.4	173.9	-55.2	-178.7	0	0	0	109.9	E2 V10 W28 Y72 L73 Y86 T99	E2-L12 WeakPolarHBondContact OE2-CD2 3.28Å; V10-L12 HydrophobicContact CG1-CD2 4.46Å; V10-L12 HydrophobicContact CG1-CG 4.47Å; L12-W28 HydrophobicContact CB-CH2 4.02Å; L12-W28 HydrophobicContact CB-CZ3 4.15Å; L12-W28 HydrophobicContact CD1-CZ3 4.49Å; L12-Y72 VanDerWaalsContact O-CA 3.24Å; L12-Y72 WeakPolarHBondContact O-CA 3.37Å; L12-L73 HydrophobicContact CB-CB 4.38Å; L12-L73 HydrophobicContact CD1-CD2 4.25Å; L12-L73 PolarHBondContact N-O 2.99Å; L12-L73 PolarHBondContact O-N 3.18Å; L12-Y86 VanDerWaalsContact CD1-CB 3.44Å; L12-Y86 HydrophobicContact CD1-CD1 4.09Å; L12-Y86 HydrophobicContact CD1-CD2 4.16Å; L12-Y86 HydrophobicContact CD1-CG 3.64Å; L12-T99 HydrophobicContact CD2-CG2 3.84Å
13	S	95	Very high	91.9	Very high	75 Å²	75	70.7 Å²	70.7	52%	0.524	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	147.1	175.4	66.6	0	0	0	0	110.8	A71	S13-A71 CarbonylContact C-O 3.57Å; S13-A71 WeakPolarHBondContact CA-O 3.37Å
14	C	92.7	Very high	91.7	Very high	12 Å²	12	65 Å²	65	8%	0.081	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	105.7	174.6	176.5	0	0	0	0	108.9	Y16 W28 T70 A71 C88	C14-Y16 HydrophobicContact CB-CE2 4.38Å; C14-Y16 WeakPolarHBondContact SG-CE2 3.37Å; C14-Y16 VanDerWaalsContact SG-CZ 3.5Å; C14-W28 HydrophobicContact CB-CH2 3.81Å; C14-W28 HydrophobicContact CB-CZ2 3.97Å; C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.4Å; C14-A71 PolarHBondContact N-O 2.01Å; C14-A71 PolarHBondContact O-N 3.09Å; C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.36Å; C14-C88 WeakPolarHBondContact SG-CB 3.38Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.44Å
15	K	91.9	Very high	91.6	Very high	161 Å²	161	68 Å²	68	70%	0.7	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	131	179.8	-175.8	174.8	-176.9	179.3	0	109.8	T70	K15-T70 HydrophobicContact CB-CG2 4.42Å
16	Y	86.1	Confident	91.5	Very high	24 Å²	24	61 Å²	61	9%	0.094	36%	0.363	C	S	.	.			trans	-102.7	147.8	177.9	-69.6	-88.8	0	0	0	111.3	C14 F19 I21 M26 N69 N90	C14-Y16 HydrophobicContact CB-CE2 4.38Å; C14-Y16 WeakPolarHBondContact SG-CE2 3.37Å; C14-Y16 VanDerWaalsContact SG-CZ 3.5Å; Y16-F19 AromaticContact CD1-CE1 3.69Å; Y16-F19 HydrophobicContact CD1-CE1 3.69Å; Y16-F19 HydrophobicContact CD1-CE2 4.15Å; Y16-F19 AromaticContact CD1-CZ 3.18Å; Y16-F19 HydrophobicContact CD1-CZ 3.18Å; Y16-F19 HydrophobicContact CE1-CE1 4.5Å; Y16-F19 AromaticContact CE1-CZ 3.81Å; Y16-F19 HydrophobicContact CE1-CZ 3.81Å; Y16-F19 HydrophobicContact CG-CE1 4.3Å; Y16-F19 HydrophobicContact CG-CE2 4.27Å; Y16-F19 AromaticContact CG-CZ 3.68Å; Y16-F19 HydrophobicContact CG-CZ 3.68Å; Y16-I21 HydrophobicContact CD2-CD1 3.69Å; Y16-I21 HydrophobicContact CD2-CG1 4Å; Y16-I21 HydrophobicContact CE2-CD1 4.06Å; Y16-I21 HydrophobicContact CE2-CG1 4.42Å; Y16-M26 HydrophobicContact CD2-SD 3.93Å; Y16-M26 HydrophobicContact CE1-SD 4.3Å; Y16-M26 HydrophobicContact CE2-SD 3.23Å; Y16-M26 WeakPolarHBondContact CE2-SD 3.36Å; Y16-M26 PolarHBondContact OH-SD 2.79Å; Y16-N69 PolarHBondContact N-O 2.9Å; Y16-N69 PolarHBondContact O-ND2 3.16Å; Y16-N90 HydrophobicContact CE1-CB 4.47Å
17	S	85.9	Confident	91.4	Very high	106 Å²	106	58.1 Å²	58.1	74%	0.741	34%	0.343	S	S	*	.			trans	-131.5	144.1	175.9	56.4	0	0	0	0	109.8
18	G	83.7	Confident	91.5	Very high	91 Å²	91	55.8 Å²	55.8	94%	0.938	32%	0.317	S	S	*	.	S	Bend	trans	91.6	-5.3	175.6	0	0	0	0	0	115.4
19	F	83.7	Confident	91.5	Very high	74 Å²	74	54.7 Å²	54.7	33%	0.325	31%	0.307	S	S	.	.	S	Bend	trans	-154.8	165.2	171.6	65.3	-88.9	0	0	0	111.2	Y16 T24 N69 N90	Y16-F19 AromaticContact CD1-CE1 3.69Å; Y16-F19 HydrophobicContact CD1-CE1 3.69Å; Y16-F19 HydrophobicContact CD1-CE2 4.15Å; Y16-F19 AromaticContact CD1-CZ 3.18Å; Y16-F19 HydrophobicContact CD1-CZ 3.18Å; Y16-F19 HydrophobicContact CE1-CE1 4.5Å; Y16-F19 AromaticContact CE1-CZ 3.81Å; Y16-F19 HydrophobicContact CE1-CZ 3.81Å; Y16-F19 HydrophobicContact CG-CE1 4.3Å; Y16-F19 HydrophobicContact CG-CE2 4.27Å; Y16-F19 AromaticContact CG-CZ 3.68Å; Y16-F19 HydrophobicContact CG-CZ 3.68Å; F19-T24 HydrophobicContact CD2-CG2 4.17Å; F19-T24 HydrophobicContact CE2-CG2 3.64Å; F19-N69 PolarHBondContact O-ND2 3.4Å; F19-N90 HydrophobicContact CZ-CB 4.41Å; F19-N90 WeakPolarHBondContact CZ-ND2 3.23Å
20	N	88.9	Confident	91.5	Very high	71 Å²	71	51.4 Å²	51.4	38%	0.38	28%	0.284	S	S	.	.			trans	-86.6	123.5	176.2	-178.9	-6.2	0	0	0	110.4	K22 D23	N20-K22 PolarHBondContact O-N 3.14Å; N20-K22 VanDerWaalsContact O-N 3.1Å; N20-K22 WeakPolarHBondContact OD1-CB 3.29Å; N20-K22 PolarHBondContact OD1-N 3.24Å; N20-D23 WeakPolarHBondContact CB-OD2 3.19Å; N20-D23 PolarHBondContact O-N 2.94Å
21	I	90.3	Very high	91.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-61.7	-21.2	-176.8	-153.7	-179	0	0	0	112.5	Y16 D23 M26 P45 T66 N69 A71	Y16-I21 HydrophobicContact CD2-CD1 3.69Å; Y16-I21 HydrophobicContact CD2-CG1 4Å; Y16-I21 HydrophobicContact CE2-CD1 4.06Å; Y16-I21 HydrophobicContact CE2-CG1 4.42Å; I21-D23 PolarHBondContact O-N 3.06Å; I21-M26 HydrophobicContact CD1-CG 3.86Å; I21-M26 HydrophobicContact CD1-SD 3.8Å; I21-M26 HydrophobicContact CG1-CG 3.72Å; I21-M26 HydrophobicContact CG1-SD 3.43Å; I21-M26 WeakPolarHBondContact CG1-SD 3.4Å; I21-P45 HydrophobicContact CD1-CG 4.47Å; I21-P45 HydrophobicContact CG1-CG 4.06Å; I21-P45 HydrophobicContact CG2-CB 4.03Å; I21-P45 HydrophobicContact CG2-CG 4.46Å; I21-P45 VanDerWaalsContact O-CG 3.25Å; I21-P45 WeakPolarHBondContact O-CG 3.33Å; I21-T66 HydrophobicContact CG2-CG2 4.1Å; I21-N69 WeakPolarHBondContact CB-OD1 3.26Å; I21-N69 WeakPolarHBondContact CG2-OD1 2.99Å; I21-N69 PolarHBondContact N-OD1 2.74Å; I21-A71 HydrophobicContact CD1-CB 3.98Å
22	K	91.5	Very high	91.1	Very high	92 Å²	92	51.1 Å²	51.1	40%	0.4	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-64.5	-22.5	175.1	-68.6	-172.6	-179	-174.9	0	113.7	N20 T24 A46 T66	N20-K22 PolarHBondContact O-N 3.14Å; N20-K22 VanDerWaalsContact O-N 3.1Å; N20-K22 WeakPolarHBondContact OD1-CB 3.29Å; N20-K22 PolarHBondContact OD1-N 3.24Å; K22-T24 VanDerWaalsContact C-N 3.26Å; K22-T24 PolarHBondContact O-N 3.22Å; K22-A46 HydrophobicContact CB-CB 4.43Å; K22-T66 HydrophobicContact CD-CG2 4.1Å; K22-T66 VanDerWaalsContact CE-CG2 3.46Å; K22-T66 WeakPolarHBondContact CE-OG1 3.41Å; K22-T66 HydrophobicContact CG-CG2 3.48Å; K22-T66 VanDerWaalsContact CG-CG2 3.48Å
23	D	89.9	Confident	90.4	Very high	112 Å²	112	57 Å²	57	60%	0.599	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-86	2	-171.3	-57.2	-28.5	0	0	0	112.9	N20 I21	N20-D23 WeakPolarHBondContact CB-OD2 3.19Å; N20-D23 PolarHBondContact O-N 2.94Å; I21-D23 PolarHBondContact O-N 3.06Å
24	T	88.8	Confident	89.7	Confident	9 Å²	9	62.4 Å²	62.4	6%	0.055	34%	0.336	C	S	.	.	S	Bend	trans	-151.7	152.8	-175.1	171.9	0	0	0	0	113	F19 K22 M26 P45 N90	F19-T24 HydrophobicContact CD2-CG2 4.17Å; F19-T24 HydrophobicContact CE2-CG2 3.64Å; K22-T24 VanDerWaalsContact C-N 3.26Å; K22-T24 PolarHBondContact O-N 3.22Å; T24-M26 HydrophobicContact CG2-CE 3.32Å; T24-P45 WeakPolarHBondContact O-CD 3.45Å; T24-N90 HydrophobicContact CG2-CB 4.21Å
25	Y	91.6	Very high	89	Confident	88 Å²	88	68 Å²	68	35%	0.345	36%	0.361	S	S	.	.			trans	-72.3	134.7	168.9	-63.6	-72.4	0	0	0	111.4	D44	Y25-D44 HydrophobicContact CD1-CB 3.8Å; Y25-D44 HydrophobicContact CE1-CB 3.63Å; Y25-D44 WeakPolarHBondContact CE1-OD2 3.42Å
26	M	92.4	Very high	88.7	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	115.2	177.8	-60.7	-66.5	85.4	0	0	110.1	Y16 I21 T24 R42 V43 P45 A71 N90	Y16-M26 HydrophobicContact CD2-SD 3.93Å; Y16-M26 HydrophobicContact CE1-SD 4.3Å; Y16-M26 HydrophobicContact CE2-SD 3.23Å; Y16-M26 WeakPolarHBondContact CE2-SD 3.36Å; Y16-M26 PolarHBondContact OH-SD 2.79Å; I21-M26 HydrophobicContact CD1-CG 3.86Å; I21-M26 HydrophobicContact CD1-SD 3.8Å; I21-M26 HydrophobicContact CG1-CG 3.72Å; I21-M26 HydrophobicContact CG1-SD 3.43Å; I21-M26 WeakPolarHBondContact CG1-SD 3.4Å; T24-M26 HydrophobicContact CG2-CE 3.32Å; M26-R42 CarbonylContact O-C 3.49Å; M26-R42 WeakPolarHBondContact O-CA 3.25Å; M26-R42 VanDerWaalsContact O-CB 3.24Å; M26-R42 WeakPolarHBondContact O-CB 3.04Å; M26-V43 HydrophobicContact CB-CG1 3.8Å; M26-V43 HydrophobicContact CG-CG1 4.44Å; M26-V43 PolarHBondContact N-O 2.94Å; M26-V43 PolarHBondContact O-N 3.17Å; M26-P45 HydrophobicContact CG-CG 3.66Å; M26-A71 HydrophobicContact CB-CB 4.26Å; M26-A71 HydrophobicContact CG-CB 4.26Å; M26-N90 HydrophobicContact CE-CB 3.33Å
27	H	94.1	Very high	89	Confident	15 Å²	15	65.6 Å²	65.6	7%	0.069	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	143.4	-179.6	-69	-112.9	0	0	0	110.6	R39 C88 A89	H27-R39 PolarHBondContact CE1-NH2 2.93Å; H27-R39 VanDerWaalsContact CE1-NH2 3.32Å; H27-C88 CarbonylContact O-C 3.37Å; H27-C88 VanDerWaalsContact O-CA 3.26Å; H27-C88 WeakPolarHBondContact O-CA 3.49Å; H27-A89 PolarHBondContact N-O 3.41Å; H27-A89 PolarHBondContact O-N 2.88Å
28	W	95.6	Very high	89.4	Confident	4 Å²	4	62 Å²	62	2%	0.015	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.1	170.5	-76.2	98.4	0	0	0	110.3	L12 C14 I40 G41 A71 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.02Å; L12-W28 HydrophobicContact CB-CZ3 4.15Å; L12-W28 HydrophobicContact CD1-CZ3 4.49Å; C14-W28 HydrophobicContact CB-CH2 3.81Å; C14-W28 HydrophobicContact CB-CZ2 3.97Å; W28-I40 HydrophobicContact CB-CB 4.11Å; W28-I40 HydrophobicContact CB-CD1 4.35Å; W28-I40 WeakPolarHBondContact O-CB 3.43Å; W28-I40 PolarHBondContact O-N 2.67Å; W28-G41 PolarHBondContact N-O 3.48Å; W28-A71 HydrophobicContact CZ2-CB 4.39Å; W28-L73 HydrophobicContact CB-CD2 4.19Å; W28-L73 HydrophobicContact CD2-CB 3.53Å; W28-L73 HydrophobicContact CD2-CD2 3.87Å; W28-L73 HydrophobicContact CD2-CG 4.28Å; W28-L73 VanDerWaalsContact CE2-CB 3.48Å; W28-L73 HydrophobicContact CE3-CB 3.81Å; W28-L73 HydrophobicContact CE3-CD2 3.66Å; W28-L73 HydrophobicContact CE3-CG 4.39Å; W28-L73 HydrophobicContact CG-CB 4.03Å; W28-L73 HydrophobicContact CG-CD2 4.12Å; W28-L73 HydrophobicContact CH2-CB 4.01Å; W28-L73 HydrophobicContact CZ2-CB 3.74Å; W28-L73 HydrophobicContact CZ3-CB 4.04Å; W28-L73 HydrophobicContact CZ3-CD2 4.3Å; W28-Y87 WeakPolarHBondContact CA-O 3.32Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.25Å; W28-C88 HydrophobicContact CZ2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.2Å
29	V	95.2	Very high	89.9	Confident	14 Å²	14	62.4 Å²	62.4	9%	0.085	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135.7	-174.7	-173.7	0	0	0	0	109.3	L37 E38 Y86 Y87 W95	V29-L37 HydrophobicContact CG1-CB 3.9Å; V29-L37 HydrophobicContact CG1-CD2 3.76Å; V29-L37 HydrophobicContact CG1-CG 4.38Å; V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 WeakPolarHBondContact CG1-O 3.26Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.4Å; V29-Y87 PolarHBondContact N-O 2.8Å; V29-Y87 PolarHBondContact O-N 3.25Å; V29-W95 HydrophobicContact CB-CH2 4.18Å; V29-W95 HydrophobicContact CB-CZ3 4Å; V29-W95 HydrophobicContact CG1-CH2 4.03Å; V29-W95 HydrophobicContact CG1-CZ3 4.1Å; V29-W95 HydrophobicContact CG2-CH2 3.98Å; V29-W95 HydrophobicContact CG2-CZ3 4.15Å
30	K	95.1	Very high	90.4	Very high	1 Å²	1	58.9 Å²	58.9	0%	0.004	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.8	171.1	-178.4	-178.3	-178.7	-179.9	0	108.3	R32 E38 I40 F56 E81 D82 A84 Y86	K30-R32 VanDerWaalsContact NZ-NH2 3.2Å; K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 3.07Å; K30-E38 PolarHBondContact O-N 3.03Å; K30-I40 HydrophobicContact CB-CD1 4.07Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; K30-F56 HydrophobicContact CD-CE1 3.95Å; K30-F56 HydrophobicContact CD-CZ 4.03Å; K30-E81 WeakPolarHBondContact CE-O 3.31Å; K30-E81 PolarHBondContact NZ-O 2.95Å; K30-D82 IonicContact NZ-OD1 3.18Å; K30-D82 PolarHBondContact NZ-OD1 2.8Å; K30-A84 HydrophobicContact CD-CB 4.17Å; K30-A84 HydrophobicContact CG-CB 3.52Å; K30-Y86 HydrophobicContact CB-CD1 4.27Å; K30-Y86 HydrophobicContact CB-CE1 3.98Å; K30-Y86 HydrophobicContact CD-CE1 4.16Å; K30-Y86 HydrophobicContact CG-CD1 4.47Å; K30-Y86 HydrophobicContact CG-CE1 3.9Å; K30-Y86 HydrophobicContact CG-CE2 4.48Å
31	Q	94.6	Very high	90.8	Very high	72 Å²	72	55.5 Å²	55.5	34%	0.336	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	119.4	171.4	-167.3	-177.3	30.8	0	0	109.7	G36 L37 A84 V85 Y87	Q31-G36 WeakPolarHBondContact CA-O 3.2Å; Q31-L37 HydrophobicContact CB-CD2 3.69Å; Q31-L37 HydrophobicContact CG-CD2 3.72Å; Q31-L37 HydrophobicContact CG-CG 4.49Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.23Å; Q31-V85 PolarHBondContact N-O 3.48Å; Q31-V85 PolarHBondContact O-N 2.86Å; Q31-Y87 HydrophobicContact CB-CD2 4.13Å; Q31-Y87 HydrophobicContact CB-CE2 3.69Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.28Å; Q31-Y87 PolarHBondContact OE1-OH 2.79Å
32	R	90.5	Very high	91	Very high	50 Å²	50	58.5 Å²	58.5	19%	0.189	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	142.6	169.6	-65.4	-177.8	-152.5	-160.4	-2.4	109.2	K30 E34 Q35 G36 E38 A84	K30-R32 VanDerWaalsContact NZ-NH2 3.2Å; R32-E34 PolarHBondContact O-N 3.05Å; R32-Q35 HydrophobicContact CB-CB 3.95Å; R32-Q35 PolarHBondContact O-N 2.76Å; R32-G36 PolarHBondContact N-O 3.06Å; R32-G36 PolarHBondContact O-N 3.09Å; R32-E38 IonicContact CZ-OE2 2.9Å; R32-E38 IonicContact NE-OE2 3.94Å; R32-E38 PolarHBondContact NE-OE2 3.05Å; R32-E38 IonicContact NH2-OE1 3.4Å; R32-E38 IonicContact NH2-OE2 2.79Å; R32-E38 PolarHBondContact NH2-OE2 2.87Å; R32-A84 HydrophobicContact CG-CB 4.24Å
33	P	80.1	Confident	91.2	Very high	125 Å²	125	54.2 Å²	54.2	81%	0.812	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-32.8	179.8	-28.3	34.8	0	0	0	114.1
34	E	81.5	Confident	91.5	Very high	189 Å²	189	49.8 Å²	49.8	88%	0.883	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.7	-9.6	-173.4	-55.7	-163.2	177.6	0	0	115.3	R32	R32-E34 PolarHBondContact O-N 3.05Å
35	Q	78.1	Confident	91.8	Very high	130 Å²	130	49.9 Å²	49.9	61%	0.607	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.1	5.4	-170.5	-83.1	171.3	-12.7	0	0	113.8	R32	R32-Q35 HydrophobicContact CB-CB 3.95Å; R32-Q35 PolarHBondContact O-N 2.76Å
36	G	86.3	Confident	91.9	Very high	36 Å²	36	48.7 Å²	48.7	37%	0.371	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	74.6	-156.8	177.3	0	0	0	0	0	113.6	Q31 R32	Q31-G36 WeakPolarHBondContact CA-O 3.2Å; R32-G36 PolarHBondContact N-O 3.06Å; R32-G36 PolarHBondContact O-N 3.09Å
37	L	91.4	Very high	92	Very high	97 Å²	97	53.8 Å²	53.8	51%	0.508	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	120.8	-176.3	-66.1	168.7	0	0	0	111.1	V29 Q31 W95	V29-L37 HydrophobicContact CG1-CB 3.9Å; V29-L37 HydrophobicContact CG1-CD2 3.76Å; V29-L37 HydrophobicContact CG1-CG 4.38Å; Q31-L37 HydrophobicContact CB-CD2 3.69Å; Q31-L37 HydrophobicContact CG-CD2 3.72Å; Q31-L37 HydrophobicContact CG-CG 4.49Å; L37-W95 HydrophobicContact CD1-CH2 3.78Å; L37-W95 HydrophobicContact CD1-CZ2 4.31Å; L37-W95 HydrophobicContact CD2-CH2 4.03Å; L37-W95 HydrophobicContact CD2-CZ3 4.04Å; L37-W95 HydrophobicContact CG-CH2 4.48Å
38	E	93.8	Very high	91.9	Very high	31 Å²	31	55.3 Å²	55.3	15%	0.145	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.5	173.8	-60.2	-171.9	96	0	0	110.1	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 WeakPolarHBondContact CG1-O 3.26Å; K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 3.07Å; K30-E38 PolarHBondContact O-N 3.03Å; R32-E38 IonicContact CZ-OE2 2.9Å; R32-E38 IonicContact NE-OE2 3.94Å; R32-E38 PolarHBondContact NE-OE2 3.05Å; R32-E38 IonicContact NH2-OE1 3.4Å; R32-E38 IonicContact NH2-OE2 2.79Å; R32-E38 PolarHBondContact NH2-OE2 2.87Å; E38-I40 PolarHBondContact O-N 2.99Å; E38-K55 IonicContact OE1-NZ 3.66Å; E38-F56 HydrophobicContact CB-CE2 4.24Å; E38-F56 HydrophobicContact CB-CZ 4.19Å
39	R	93.6	Very high	91.9	Very high	99 Å²	99	61.5 Å²	61.5	37%	0.374	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	127.2	175.5	-175.5	-179.7	174.4	-174	-2.5	110.1	H27 D53	H27-R39 PolarHBondContact CE1-NH2 2.93Å; H27-R39 VanDerWaalsContact CE1-NH2 3.32Å; R39-D53 WeakPolarHBondContact O-CB 3.4Å
40	I	96.2	Very high	92	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-44.9	177.3	-59.7	175.7	0	0	0	110.4	W28 K30 E38 D53 F56 A60 L73 Y86	W28-I40 HydrophobicContact CB-CB 4.11Å; W28-I40 HydrophobicContact CB-CD1 4.35Å; W28-I40 WeakPolarHBondContact O-CB 3.43Å; W28-I40 PolarHBondContact O-N 2.67Å; K30-I40 HydrophobicContact CB-CD1 4.07Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; E38-I40 PolarHBondContact O-N 2.99Å; I40-D53 PolarHBondContact O-N 3.01Å; I40-F56 HydrophobicContact CB-CD2 4.38Å; I40-F56 HydrophobicContact CB-CG 4.28Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.3Å; I40-F56 HydrophobicContact CG1-CE1 4.19Å; I40-F56 HydrophobicContact CG1-CE2 4.31Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 4.26Å; I40-F56 HydrophobicContact CG2-CB 3.81Å; I40-F56 HydrophobicContact CG2-CD1 4.29Å; I40-F56 HydrophobicContact CG2-CG 3.97Å; I40-A60 HydrophobicContact CG2-CB 3.68Å; I40-L73 HydrophobicContact CD1-CD2 3.58Å; I40-L73 HydrophobicContact CG2-CD1 4.12Å; I40-Y86 HydrophobicContact CD1-CD1 3.63Å; I40-Y86 HydrophobicContact CD1-CE1 3.67Å
41	G	96	Very high	92.1	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.1	-169.1	-176	0	0	0	0	0	112.5	W28 K51	W28-G41 PolarHBondContact N-O 3.48Å; G41-K51 CarbonylContact C-O 3.53Å; G41-K51 WeakPolarHBondContact CA-O 3.21Å
42	R	95.5	Very high	92.2	Very high	64 Å²	64	67.4 Å²	67.4	24%	0.242	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	159.4	171.8	67.3	172.4	-178.2	-170.9	7.3	112.4	M26 T50 K51	M26-R42 CarbonylContact O-C 3.49Å; M26-R42 WeakPolarHBondContact O-CA 3.25Å; M26-R42 VanDerWaalsContact O-CB 3.24Å; M26-R42 WeakPolarHBondContact O-CB 3.04Å; R42-T50 VanDerWaalsContact O-CA 3.31Å; R42-T50 WeakPolarHBondContact O-CA 3.49Å; R42-K51 HydrophobicContact CG-CB 4.23Å; R42-K51 PolarHBondContact N-O 2.91Å; R42-K51 PolarHBondContact O-N 3.36Å
43	V	95.8	Very high	92.5	Very high	2 Å²	2	67.6 Å²	67.6	1%	0.012	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	143.9	166.2	61	0	0	0	0	110.3	M26 P45 Y49 T50 I62 A64	M26-V43 HydrophobicContact CB-CG1 3.8Å; M26-V43 HydrophobicContact CG-CG1 4.44Å; M26-V43 PolarHBondContact N-O 2.94Å; M26-V43 PolarHBondContact O-N 3.17Å; V43-P45 HydrophobicContact CG1-CG 4.47Å; V43-P45 WeakPolarHBondContact O-CD 3.26Å; V43-Y49 CarbonylContact C-O 3.55Å; V43-Y49 WeakPolarHBondContact CA-O 3.41Å; V43-T50 HydrophobicContact CB-CG2 3.88Å; V43-T50 HydrophobicContact CG2-CG2 3.77Å; V43-I62 HydrophobicContact CB-CG2 3.63Å; V43-I62 HydrophobicContact CG1-CG2 3.54Å; V43-A64 HydrophobicContact CG1-CB 4.16Å; V43-A64 HydrophobicContact CG2-CB 4.47Å
44	D	95.5	Very high	93.2	Very high	19 Å²	19	66.7 Å²	66.7	10%	0.102	35%	0.351	C	S	.	.			trans	-92.6	105.3	162.7	-174.4	-21.7	0	0	0	108.4	Y25 A46 N47 G48 Y49	Y25-D44 HydrophobicContact CD1-CB 3.8Å; Y25-D44 HydrophobicContact CE1-CB 3.63Å; Y25-D44 WeakPolarHBondContact CE1-OD2 3.42Å; D44-A46 PolarHBondContact O-N 2.83Å; D44-A46 VanDerWaalsContact OD1-CB 3.28Å; D44-A46 WeakPolarHBondContact OD1-CB 3.41Å; D44-A46 PolarHBondContact OD1-N 2.87Å; D44-N47 WeakPolarHBondContact CB-OD1 3.24Å; D44-N47 PolarHBondContact O-N 2.95Å; D44-N47 PolarHBondContact OD2-ND2 3.3Å; D44-N47 PolarHBondContact OD2-OD1 3.13Å; D44-G48 VanDerWaalsContact O-CA 3.23Å; D44-G48 WeakPolarHBondContact O-CA 3.03Å; D44-G48 PolarHBondContact O-N 3.05Å; D44-Y49 PolarHBondContact N-O 2.72Å
45	P	94.6	Very high	93.8	Very high	11 Å²	11	65.1 Å²	65.1	7%	0.071	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-15.7	-176.9	-21.9	37.8	0	0	0	113.4	I21 T24 M26 V43 A64 T66	I21-P45 HydrophobicContact CD1-CG 4.47Å; I21-P45 HydrophobicContact CG1-CG 4.06Å; I21-P45 HydrophobicContact CG2-CB 4.03Å; I21-P45 HydrophobicContact CG2-CG 4.46Å; I21-P45 VanDerWaalsContact O-CG 3.25Å; I21-P45 WeakPolarHBondContact O-CG 3.33Å; T24-P45 WeakPolarHBondContact O-CD 3.45Å; M26-P45 HydrophobicContact CG-CG 3.66Å; V43-P45 HydrophobicContact CG1-CG 4.47Å; V43-P45 WeakPolarHBondContact O-CD 3.26Å; P45-A64 HydrophobicContact CB-CB 3.79Å; P45-A64 HydrophobicContact CG-CB 3.97Å; P45-T66 HydrophobicContact CB-CG2 3.94Å; P45-T66 VanDerWaalsContact O-CG2 3.29Å; P45-T66 WeakPolarHBondContact O-CG2 3.5Å
46	A	93.8	Very high	94.6	Very high	62 Å²	62	59.5 Å²	59.5	51%	0.512	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-34.8	179.3	0	0	0	0	0	112.5	K22 D44	K22-A46 HydrophobicContact CB-CB 4.43Å; D44-A46 PolarHBondContact O-N 2.83Å; D44-A46 VanDerWaalsContact OD1-CB 3.28Å; D44-A46 WeakPolarHBondContact OD1-CB 3.41Å; D44-A46 PolarHBondContact OD1-N 2.87Å
47	N	94.4	Very high	95	Very high	109 Å²	109	63.9 Å²	63.9	58%	0.583	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.6	-1.9	-175.6	58.9	37.2	0	0	0	114	D44 Y49	D44-N47 WeakPolarHBondContact CB-OD1 3.24Å; D44-N47 PolarHBondContact O-N 2.95Å; D44-N47 PolarHBondContact OD2-ND2 3.3Å; D44-N47 PolarHBondContact OD2-OD1 3.13Å; N47-Y49 VanDerWaalsContact C-N 3.27Å; N47-Y49 PolarHBondContact O-N 2.79Å; N47-Y49 WeakPolarHBondContact OD1-CB 3.02Å; N47-Y49 PolarHBondContact OD1-N 3.06Å
48	G	92.8	Very high	95.1	Very high	47 Å²	47	64.2 Å²	64.2	49%	0.485	34%	0.342	S	S	.	.			trans	76.8	5.2	-179.9	0	0	0	0	0	114.8	D44 T50	D44-G48 VanDerWaalsContact O-CA 3.23Å; D44-G48 WeakPolarHBondContact O-CA 3.03Å; D44-G48 PolarHBondContact O-N 3.05Å; G48-T50 PolarHBondContact O-N 3.06Å
49	Y	95.6	Very high	95.2	Very high	134 Å²	134	64.9 Å²	64.9	53%	0.525	34%	0.344	S	S	.	.			trans	-63.8	129	-179.7	177.3	-98.8	0	0	0	110.9	V43 D44 N47 K51	V43-Y49 CarbonylContact C-O 3.55Å; V43-Y49 WeakPolarHBondContact CA-O 3.41Å; D44-Y49 PolarHBondContact N-O 2.72Å; N47-Y49 VanDerWaalsContact C-N 3.27Å; N47-Y49 PolarHBondContact O-N 2.79Å; N47-Y49 WeakPolarHBondContact OD1-CB 3.02Å; N47-Y49 PolarHBondContact OD1-N 3.06Å; Y49-K51 HydrophobicContact CE1-CB 4.27Å
50	T	96.9	Very high	95.3	Very high	42 Å²	42	60.4 Å²	60.4	26%	0.258	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	144.5	179.8	50.4	0	0	0	0	111.3	R42 V43 G48 Y52 I62	R42-T50 VanDerWaalsContact O-CA 3.31Å; R42-T50 WeakPolarHBondContact O-CA 3.49Å; V43-T50 HydrophobicContact CB-CG2 3.88Å; V43-T50 HydrophobicContact CG2-CG2 3.77Å; G48-T50 PolarHBondContact O-N 3.06Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.45Å; T50-I62 HydrophobicContact CG2-CB 4.35Å; T50-I62 WeakPolarHBondContact CG2-O 3.35Å
51	K	96.8	Very high	95.4	Very high	112 Å²	112	63.7 Å²	63.7	49%	0.487	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	123.3	170.5	-177.3	174	-178.9	173.7	0	109.1	G41 R42 Y49	G41-K51 CarbonylContact C-O 3.53Å; G41-K51 WeakPolarHBondContact CA-O 3.21Å; R42-K51 HydrophobicContact CG-CB 4.23Å; R42-K51 PolarHBondContact N-O 2.91Å; R42-K51 PolarHBondContact O-N 3.36Å; Y49-K51 HydrophobicContact CE1-CB 4.27Å
52	Y	97.4	Very high	95.5	Very high	56 Å²	56	63.9 Å²	63.9	22%	0.22	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	153.5	-179.7	-60.5	-87.2	0	0	0	110.8	T50 A60 I62	T50-Y52 WeakPolarHBondContact OG1-CE2 3.45Å; Y52-A60 HydrophobicContact CD1-CB 4.41Å; Y52-A60 HydrophobicContact CE1-CB 4.39Å; Y52-A60 WeakPolarHBondContact CE1-O 3.16Å; Y52-I62 HydrophobicContact CD1-CD1 4.1Å; Y52-I62 HydrophobicContact CE1-CB 4.2Å; Y52-I62 HydrophobicContact CE1-CD1 3.8Å; Y52-I62 HydrophobicContact CE1-CG1 3.78Å; Y52-I62 PolarHBondContact OH-N 3.32Å
53	D	96.1	Very high	95.5	Very high	54 Å²	54	63.9 Å²	63.9	29%	0.289	36%	0.356	S	S	.	.			trans	-74.9	136.3	157.2	-174.9	-71.7	0	0	0	108.7	R39 I40 K55 F56 Q57	R39-D53 WeakPolarHBondContact O-CB 3.4Å; I40-D53 PolarHBondContact O-N 3.01Å; D53-K55 PolarHBondContact O-N 3.36Å; D53-K55 VanDerWaalsContact OD1-CB 3.31Å; D53-K55 WeakPolarHBondContact OD1-CB 3.16Å; D53-K55 WeakPolarHBondContact OD1-CG 3.19Å; D53-K55 PolarHBondContact OD1-N 2.88Å; D53-F56 HydrophobicContact CB-CD2 4.15Å; D53-F56 PolarHBondContact O-N 2.82Å; D53-Q57 PolarHBondContact O-N 2.83Å; D53-Q57 VanDerWaalsContact O-N 3.17Å
54	P	95.8	Very high	95.5	Very high	106 Å²	106	65.4 Å²	65.4	69%	0.688	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-31.4	-177.9	-28.7	35.8	0	0	0	114.3	F56	P54-F56 PolarHBondContact O-N 2.87Å
55	K	93.1	Very high	95.5	Very high	157 Å²	157	67.1 Å²	67.1	68%	0.683	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-29.4	178.1	-67.1	176.6	174.8	-178.6	0	113.3	E38 D53	E38-K55 IonicContact OE1-NZ 3.66Å; D53-K55 PolarHBondContact O-N 3.36Å; D53-K55 VanDerWaalsContact OD1-CB 3.31Å; D53-K55 WeakPolarHBondContact OD1-CB 3.16Å; D53-K55 WeakPolarHBondContact OD1-CG 3.19Å; D53-K55 PolarHBondContact OD1-N 2.88Å
56	F	95	Very high	95.4	Very high	11 Å²	11	68.9 Å²	68.9	5%	0.048	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-9.1	-173.2	-63.9	-83.4	0	0	0	113.3	K30 E38 I40 D53 P54 A58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.95Å; K30-F56 HydrophobicContact CD-CZ 4.03Å; E38-F56 HydrophobicContact CB-CE2 4.24Å; E38-F56 HydrophobicContact CB-CZ 4.19Å; I40-F56 HydrophobicContact CB-CD2 4.38Å; I40-F56 HydrophobicContact CB-CG 4.28Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.3Å; I40-F56 HydrophobicContact CG1-CE1 4.19Å; I40-F56 HydrophobicContact CG1-CE2 4.31Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 4.26Å; I40-F56 HydrophobicContact CG2-CB 3.81Å; I40-F56 HydrophobicContact CG2-CD1 4.29Å; I40-F56 HydrophobicContact CG2-CG 3.97Å; D53-F56 HydrophobicContact CB-CD2 4.15Å; D53-F56 PolarHBondContact O-N 2.82Å; P54-F56 PolarHBondContact O-N 2.87Å; F56-A58 PolarHBondContact O-N 2.8Å; F56-A58 VanDerWaalsContact O-N 3.13Å; F56-K59 PolarHBondContact O-N 2.91Å; F56-A60 HydrophobicContact CB-CB 4.13Å; F56-A60 WeakPolarHBondContact O-CB 3.42Å; F56-A60 PolarHBondContact O-N 2.86Å
57	Q	94.3	Very high	95.4	Very high	129 Å²	129	71.1 Å²	71.1	60%	0.603	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-32.6	-173	-174.1	173.5	-4.2	0	0	114.2	D53	D53-Q57 PolarHBondContact O-N 2.83Å; D53-Q57 VanDerWaalsContact O-N 3.17Å
58	A	94.3	Very high	95.4	Very high	103 Å²	103	67.7 Å²	67.7	85%	0.851	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-16.5	178.5	0	0	0	0	0	114	F56	F56-A58 PolarHBondContact O-N 2.8Å; F56-A58 VanDerWaalsContact O-N 3.13Å
59	K	95.2	Very high	95.4	Very high	46 Å²	46	66.8 Å²	66.8	20%	0.2	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-28.8	-169.4	-179.4	168	-87.5	-172	0	113.2	F56 L75 S76 S77 D82	F56-K59 PolarHBondContact O-N 2.91Å; K59-L75 HydrophobicContact CG-CD2 4.47Å; K59-L75 WeakPolarHBondContact O-CA 2.99Å; K59-S76 WeakPolarHBondContact CE-O 3.46Å; K59-S76 VanDerWaalsContact CG-O 3.26Å; K59-S76 WeakPolarHBondContact CG-O 3.38Å; K59-S76 PolarHBondContact O-N 2.8Å; K59-S76 PolarHBondContact O-OG 2.83Å; K59-S77 VanDerWaalsContact CE-O 3.23Å; K59-S77 WeakPolarHBondContact CE-O 3.4Å; K59-S77 PolarHBondContact NZ-O 2.97Å; K59-D82 IonicContact NZ-OD1 3.81Å; K59-D82 IonicContact NZ-OD2 2.67Å; K59-D82 PolarHBondContact NZ-OD2 2.85Å
60	A	97.2	Very high	95.3	Very high	4 Å²	4	60.8 Å²	60.8	3%	0.033	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.2	-173.6	0	0	0	0	0	112	I40 Y52 F56 L73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.68Å; Y52-A60 HydrophobicContact CD1-CB 4.41Å; Y52-A60 HydrophobicContact CE1-CB 4.39Å; Y52-A60 WeakPolarHBondContact CE1-O 3.16Å; F56-A60 HydrophobicContact CB-CB 4.13Å; F56-A60 WeakPolarHBondContact O-CB 3.42Å; F56-A60 PolarHBondContact O-N 2.86Å; A60-L73 HydrophobicContact CB-CD1 3.84Å; A60-Q74 CarbonylContact C-O 3.46Å; A60-Q74 WeakPolarHBondContact CA-O 3.41Å; A60-L75 HydrophobicContact CB-CD2 4.01Å
61	T	97.8	Very high	95.2	Very high	70 Å²	70	58.8 Å²	58.8	43%	0.429	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	117.8	167.2	-59.6	0	0	0	0	108.4	T63 Q74	T61-T63 HydrophobicContact CG2-CG2 4.23Å; T61-Q74 PolarHBondContact N-O 2.94Å; T61-Q74 PolarHBondContact O-N 2.86Å
62	I	97.4	Very high	95.2	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	129.8	178.5	-58.7	166.9	0	0	0	108.8	V43 T50 Y52 Y72 L73	V43-I62 HydrophobicContact CB-CG2 3.63Å; V43-I62 HydrophobicContact CG1-CG2 3.54Å; T50-I62 HydrophobicContact CG2-CB 4.35Å; T50-I62 WeakPolarHBondContact CG2-O 3.35Å; Y52-I62 HydrophobicContact CD1-CD1 4.1Å; Y52-I62 HydrophobicContact CE1-CB 4.2Å; Y52-I62 HydrophobicContact CE1-CD1 3.8Å; Y52-I62 HydrophobicContact CE1-CG1 3.78Å; Y52-I62 PolarHBondContact OH-N 3.32Å; I62-Y72 WeakPolarHBondContact CA-O 3.01Å; I62-L73 HydrophobicContact CG1-CD1 3.91Å
63	T	96.3	Very high	95.2	Very high	63 Å²	63	53 Å²	53	39%	0.387	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	166.9	175.2	57	0	0	0	0	110.7	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.23Å; T63-Y72 PolarHBondContact N-O 3.47Å; T63-Y72 PolarHBondContact O-N 2.88Å
64	A	95.4	Very high	95.3	Very high	35 Å²	35	54.6 Å²	54.6	29%	0.289	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	142.2	173.6	0	0	0	0	0	110.4	V43 P45	V43-A64 HydrophobicContact CG1-CB 4.16Å; V43-A64 HydrophobicContact CG2-CB 4.47Å; P45-A64 HydrophobicContact CB-CB 3.79Å; P45-A64 HydrophobicContact CG-CB 3.97Å
65	D	94.9	Very high	95.4	Very high	54 Å²	54	49.6 Å²	49.6	29%	0.289	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	111	169.9	175.4	9.4	0	0	0	108.8	S67 S68 N69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.33Å; D65-S67 WeakPolarHBondContact OD1-CB 3.37Å; D65-S67 PolarHBondContact OD1-N 2.98Å; D65-S67 PolarHBondContact OD1-OG 3.16Å; D65-S67 PolarHBondContact OD2-OG 2.8Å; D65-S68 WeakPolarHBondContact CB-OG 3.19Å; D65-S68 PolarHBondContact OD1-N 2.94Å; D65-S68 WeakPolarHBondContact OD2-CB 3.09Å; D65-S68 PolarHBondContact OD2-OG 3.29Å; D65-N69 PolarHBondContact O-N 3.05Å; D65-T70 PolarHBondContact N-O 3.37Å; D65-T70 PolarHBondContact O-N 3.02Å; D65-Y72 HydrophobicContact CB-CE2 3.85Å
66	T	93.8	Very high	95.5	Very high	48 Å²	48	44 Å²	44	29%	0.294	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-17.1	-176.2	64	0	0	0	0	112.9	I21 K22 P45	I21-T66 HydrophobicContact CG2-CG2 4.1Å; K22-T66 HydrophobicContact CD-CG2 4.1Å; K22-T66 VanDerWaalsContact CE-CG2 3.46Å; K22-T66 WeakPolarHBondContact CE-OG1 3.41Å; K22-T66 HydrophobicContact CG-CG2 3.48Å; K22-T66 VanDerWaalsContact CG-CG2 3.48Å; P45-T66 HydrophobicContact CB-CG2 3.94Å; P45-T66 VanDerWaalsContact O-CG2 3.29Å; P45-T66 WeakPolarHBondContact O-CG2 3.5Å
67	S	93.1	Very high	95.6	Very high	109 Å²	109	47.1 Å²	47.1	76%	0.762	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-38.1	175	72.7	0	0	0	0	111.5	D65	D65-S67 VanDerWaalsContact C-N 3.33Å; D65-S67 WeakPolarHBondContact OD1-CB 3.37Å; D65-S67 PolarHBondContact OD1-N 2.98Å; D65-S67 PolarHBondContact OD1-OG 3.16Å; D65-S67 PolarHBondContact OD2-OG 2.8Å
68	S	94.4	Very high	95.6	Very high	38 Å²	38	41 Å²	41	27%	0.266	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	2.3	177.4	64.8	0	0	0	0	113.7	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.19Å; D65-S68 PolarHBondContact OD1-N 2.94Å; D65-S68 WeakPolarHBondContact OD2-CB 3.09Å; D65-S68 PolarHBondContact OD2-OG 3.29Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 3.32Å; S68-T70 PolarHBondContact O-OG1 3.37Å; S68-T70 PolarHBondContact OG-OG1 3.24Å
69	N	92.6	Very high	95.6	Very high	27 Å²	27	38.8 Å²	38.8	14%	0.144	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	40.9	-178.3	-147.6	48.1	0	0	0	113	Y16 F19 I21 D65	Y16-N69 PolarHBondContact N-O 2.9Å; Y16-N69 PolarHBondContact O-ND2 3.16Å; F19-N69 PolarHBondContact O-ND2 3.4Å; I21-N69 WeakPolarHBondContact CB-OD1 3.26Å; I21-N69 WeakPolarHBondContact CG2-OD1 2.99Å; I21-N69 PolarHBondContact N-OD1 2.74Å; D65-N69 PolarHBondContact O-N 3.05Å
70	T	94.6	Very high	95.5	Very high	9 Å²	9	40.8 Å²	40.8	6%	0.055	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.3	-169.4	-57.7	0	0	0	0	111.4	C14 K15 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.4Å; K15-T70 HydrophobicContact CB-CG2 4.42Å; D65-T70 PolarHBondContact N-O 3.37Å; D65-T70 PolarHBondContact O-N 3.02Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 3.32Å; S68-T70 PolarHBondContact O-OG1 3.37Å; S68-T70 PolarHBondContact OG-OG1 3.24Å; T70-Y72 HydrophobicContact CG2-CD1 4.22Å; T70-Y72 HydrophobicContact CG2-CE1 3.58Å; T70-Y72 HydrophobicContact CG2-CE2 3.96Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.41Å
71	A	94.6	Very high	95.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	149.7	168.5	0	0	0	0	0	110.5	S13 C14 I21 M26 W28	S13-A71 CarbonylContact C-O 3.57Å; S13-A71 WeakPolarHBondContact CA-O 3.37Å; C14-A71 PolarHBondContact N-O 2.01Å; C14-A71 PolarHBondContact O-N 3.09Å; I21-A71 HydrophobicContact CD1-CB 3.98Å; M26-A71 HydrophobicContact CB-CB 4.26Å; M26-A71 HydrophobicContact CG-CB 4.26Å; W28-A71 HydrophobicContact CZ2-CB 4.39Å
72	Y	96.6	Very high	95	Very high	47 Å²	47	43.9 Å²	43.9	18%	0.184	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.5	178.9	-55.5	-81.9	0	0	0	111.5	K11 L12 I62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.41Å; K11-Y72 VanDerWaalsContact CE-CG 3.45Å; K11-Y72 HydrophobicContact CG-CD1 4.4Å; L12-Y72 VanDerWaalsContact O-CA 3.24Å; L12-Y72 WeakPolarHBondContact O-CA 3.37Å; I62-Y72 WeakPolarHBondContact CA-O 3.01Å; T63-Y72 PolarHBondContact N-O 3.47Å; T63-Y72 PolarHBondContact O-N 2.88Å; D65-Y72 HydrophobicContact CB-CE2 3.85Å; T70-Y72 HydrophobicContact CG2-CD1 4.22Å; T70-Y72 HydrophobicContact CG2-CE1 3.58Å; T70-Y72 HydrophobicContact CG2-CE2 3.96Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.41Å
73	L	97.6	Very high	94.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	114.6	169	168.7	65.6	0	0	0	108	L12 W28 I40 A60 I62 L75 Y86	L12-L73 HydrophobicContact CB-CB 4.38Å; L12-L73 HydrophobicContact CD1-CD2 4.25Å; L12-L73 PolarHBondContact N-O 2.99Å; L12-L73 PolarHBondContact O-N 3.18Å; W28-L73 HydrophobicContact CB-CD2 4.19Å; W28-L73 HydrophobicContact CD2-CB 3.53Å; W28-L73 HydrophobicContact CD2-CD2 3.87Å; W28-L73 HydrophobicContact CD2-CG 4.28Å; W28-L73 VanDerWaalsContact CE2-CB 3.48Å; W28-L73 HydrophobicContact CE3-CB 3.81Å; W28-L73 HydrophobicContact CE3-CD2 3.66Å; W28-L73 HydrophobicContact CE3-CG 4.39Å; W28-L73 HydrophobicContact CG-CB 4.03Å; W28-L73 HydrophobicContact CG-CD2 4.12Å; W28-L73 HydrophobicContact CH2-CB 4.01Å; W28-L73 HydrophobicContact CZ2-CB 3.74Å; W28-L73 HydrophobicContact CZ3-CB 4.04Å; W28-L73 HydrophobicContact CZ3-CD2 4.3Å; I40-L73 HydrophobicContact CD1-CD2 3.58Å; I40-L73 HydrophobicContact CG2-CD1 4.12Å; A60-L73 HydrophobicContact CB-CD1 3.84Å; I62-L73 HydrophobicContact CG1-CD1 3.91Å; L73-L75 HydrophobicContact CD1-CD2 4.08Å; L73-L75 HydrophobicContact CD1-CG 4.42Å; L73-L75 HydrophobicContact CD2-CD1 4.4Å; L73-L75 HydrophobicContact CD2-CD2 4.37Å; L73-L75 HydrophobicContact CD2-CG 4.35Å; L73-L75 HydrophobicContact CG-CD2 4.27Å; L73-L75 HydrophobicContact CG-CG 4.14Å; L73-Y86 HydrophobicContact CD2-CD1 3.93Å; L73-Y86 HydrophobicContact CD2-CE1 4.47Å
74	Q	97.6	Very high	94.8	Very high	87 Å²	87	43.5 Å²	43.5	41%	0.407	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.9	170.9	-177	172.4	1.1	0	0	109.3	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.37Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.31Å; A60-Q74 CarbonylContact C-O 3.46Å; A60-Q74 WeakPolarHBondContact CA-O 3.41Å; T61-Q74 PolarHBondContact N-O 2.94Å; T61-Q74 PolarHBondContact O-N 2.86Å
75	L	97.1	Very high	94.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.8	174.2	-62.1	166.4	0	0	0	108.5	S9 V10 K59 A60 L73 L78 Y86 L101	S9-L75 CarbonylContact C-O 3.56Å; S9-L75 WeakPolarHBondContact CA-O 3.24Å; S9-L75 WeakPolarHBondContact CB-O 2.9Å; V10-L75 HydrophobicContact CG1-CB 4.3Å; V10-L75 HydrophobicContact CG1-CD1 4.48Å; V10-L75 PolarHBondContact N-O 3.4Å; V10-L75 PolarHBondContact O-N 2.76Å; K59-L75 HydrophobicContact CG-CD2 4.47Å; K59-L75 WeakPolarHBondContact O-CA 2.99Å; A60-L75 HydrophobicContact CB-CD2 4.01Å; L73-L75 HydrophobicContact CD1-CD2 4.08Å; L73-L75 HydrophobicContact CD1-CG 4.42Å; L73-L75 HydrophobicContact CD2-CD1 4.4Å; L73-L75 HydrophobicContact CD2-CD2 4.37Å; L73-L75 HydrophobicContact CD2-CG 4.35Å; L73-L75 HydrophobicContact CG-CD2 4.27Å; L73-L75 HydrophobicContact CG-CG 4.14Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CD1-CD2 4.26Å; L75-Y86 HydrophobicContact CD1-CD1 4.09Å; L75-Y86 HydrophobicContact CD1-CE1 3.44Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.44Å; L75-Y86 HydrophobicContact CD1-CE2 4.34Å; L75-L101 HydrophobicContact CD1-CD2 4.12Å
76	S	96.6	Very high	94.9	Very high	40 Å²	40	40.9 Å²	40.9	28%	0.28	24%	0.244	S	C	.	.			trans	-107.1	163.1	178.1	58	0	0	0	0	112	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.47Å; K59-S76 WeakPolarHBondContact CE-O 3.46Å; K59-S76 VanDerWaalsContact CG-O 3.26Å; K59-S76 WeakPolarHBondContact CG-O 3.38Å; K59-S76 PolarHBondContact O-N 2.8Å; K59-S76 PolarHBondContact O-OG 2.83Å; S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 2.79Å; S76-L78 VanDerWaalsContact O-N 3.16Å
77	S	95.5	Very high	94.9	Very high	77 Å²	77	40.7 Å²	40.7	54%	0.538	24%	0.238	S	C	.	.	S	Bend	trans	48	50.5	171.4	-57.8	0	0	0	0	113.2	A8 K59	A8-S77 PolarHBondContact O-N 2.93Å; K59-S77 VanDerWaalsContact CE-O 3.23Å; K59-S77 WeakPolarHBondContact CE-O 3.4Å; K59-S77 PolarHBondContact NZ-O 2.97Å
78	L	95.4	Very high	94.9	Very high	1 Å²	1	36 Å²	36	1%	0.005	21%	0.205	C	C	.	.			trans	-63.2	139.8	-173.1	-71.3	172.9	0	0	0	112	V4 P6 G7 A8 V10 L75 S76 D82 L101 V103	V4-L78 HydrophobicContact CG2-CD1 3.58Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 3.49Å; G7-L78 PolarHBondContact N-O 2.87Å; A8-L78 WeakPolarHBondContact O-CB 3.36Å; A8-L78 WeakPolarHBondContact O-CG 3.42Å; A8-L78 PolarHBondContact O-N 2.84Å; V10-L78 HydrophobicContact CB-CD1 3.99Å; V10-L78 HydrophobicContact CG1-CD1 3.85Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CD1-CD2 4.26Å; S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 2.79Å; S76-L78 VanDerWaalsContact O-N 3.16Å; L78-D82 WeakPolarHBondContact CA-OD2 3.18Å; L78-D82 HydrophobicContact CD2-CB 3.7Å; L78-L101 HydrophobicContact CD1-CD2 4.16Å; L78-L101 HydrophobicContact CD2-CD2 4.04Å; L78-V103 HydrophobicContact CB-CG1 4.22Å; L78-V103 HydrophobicContact CB-CG2 4.08Å; L78-V103 HydrophobicContact CD1-CG2 4.47Å
79	T	94.5	Very high	94.8	Very high	56 Å²	56	34.4 Å²	34.4	34%	0.344	19%	0.194	S	C	.	.			trans	-120	169.1	175.2	61.6	0	0	0	0	110.3	E81 D82 V103	T79-E81 PolarHBondContact O-N 3.36Å; T79-E81 VanDerWaalsContact O-N 3.14Å; T79-D82 PolarHBondContact N-OD2 2.97Å; T79-D82 WeakPolarHBondContact O-CB 3.25Å; T79-D82 PolarHBondContact O-N 2.81Å; T79-D82 PolarHBondContact OG1-OD2 3.36Å; T79-V103 WeakPolarHBondContact O-CB 3.27Å; T79-V103 WeakPolarHBondContact O-CG1 3.09Å; T79-V103 WeakPolarHBondContact O-CG2 3.44Å
80	S	92.3	Very high	94.4	Very high	87 Å²	87	33.8 Å²	33.8	61%	0.608	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-54.3	-32.3	175.5	50	0	0	0	0	112.6	D82 T83	S80-D82 PolarHBondContact O-N 2.88Å; S80-T83 VanDerWaalsContact O-CB 3.26Å; S80-T83 WeakPolarHBondContact O-CB 3.43Å; S80-T83 PolarHBondContact O-N 3.06Å; S80-T83 PolarHBondContact O-OG1 3.31Å; S80-T83 VanDerWaalsContact O-OG1 3.05Å
81	E	90.8	Very high	93	Very high	131 Å²	131	41.8 Å²	41.8	61%	0.612	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-64.8	-17.7	175.8	-60.3	-176.8	-179.5	0	0	114	K30 T79	K30-E81 WeakPolarHBondContact CE-O 3.31Å; K30-E81 PolarHBondContact NZ-O 2.95Å; T79-E81 PolarHBondContact O-N 3.36Å; T79-E81 VanDerWaalsContact O-N 3.14Å
82	D	93.3	Very high	91.5	Very high	9 Å²	9	48.6 Å²	48.6	5%	0.048	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-81.8	-3	174.1	-63.1	-47.4	0	0	0	113.2	K30 K59 L78 T79 S80 A84 Y86 V103	K30-D82 IonicContact NZ-OD1 3.18Å; K30-D82 PolarHBondContact NZ-OD1 2.8Å; K59-D82 IonicContact NZ-OD1 3.81Å; K59-D82 IonicContact NZ-OD2 2.67Å; K59-D82 PolarHBondContact NZ-OD2 2.85Å; L78-D82 WeakPolarHBondContact CA-OD2 3.18Å; L78-D82 HydrophobicContact CD2-CB 3.7Å; T79-D82 PolarHBondContact N-OD2 2.97Å; T79-D82 WeakPolarHBondContact O-CB 3.25Å; T79-D82 PolarHBondContact O-N 2.81Å; T79-D82 PolarHBondContact OG1-OD2 3.36Å; S80-D82 PolarHBondContact O-N 2.88Å; D82-A84 PolarHBondContact O-N 2.81Å; D82-A84 VanDerWaalsContact O-N 3.09Å; D82-Y86 WeakPolarHBondContact O-CE2 3.23Å; D82-Y86 PolarHBondContact O-OH 3.03Å; D82-V103 HydrophobicContact CB-CG2 4.16Å
83	T	94.8	Very high	90	Very high	53 Å²	53	53.5 Å²	53.5	33%	0.325	28%	0.28	S	S	.	.			trans	-65	111.4	171.2	-61.3	0	0	0	0	110	S80 L101 T102 V103	S80-T83 VanDerWaalsContact O-CB 3.26Å; S80-T83 WeakPolarHBondContact O-CB 3.43Å; S80-T83 PolarHBondContact O-N 3.06Å; S80-T83 PolarHBondContact O-OG1 3.31Å; S80-T83 VanDerWaalsContact O-OG1 3.05Å; T83-L101 VanDerWaalsContact CA-O 3.29Å; T83-L101 WeakPolarHBondContact CA-O 3.34Å; T83-T102 HydrophobicContact CG2-CG2 4.4Å; T83-V103 PolarHBondContact OG1-N 2.91Å
84	A	95.8	Very high	89	Confident	6 Å²	6	56.7 Å²	56.7	5%	0.05	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	172.6	-172	0	0	0	0	0	110.8	K30 Q31 R32 D82 Y86 L101	K30-A84 HydrophobicContact CD-CB 4.17Å; K30-A84 HydrophobicContact CG-CB 3.52Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.23Å; R32-A84 HydrophobicContact CG-CB 4.24Å; D82-A84 PolarHBondContact O-N 2.81Å; D82-A84 VanDerWaalsContact O-N 3.09Å; A84-Y86 HydrophobicContact CB-CD2 4.34Å; A84-Y86 HydrophobicContact CB-CE2 3.79Å; A84-L101 PolarHBondContact N-O 2.59Å; A84-L101 PolarHBondContact O-N 2.9Å
85	V	95.8	Very high	88.5	Confident	31 Å²	31	57.8 Å²	57.8	19%	0.188	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	128.4	165	-168.6	0	0	0	0	108.9	Q31 Y87 T100	Q31-V85 PolarHBondContact N-O 3.48Å; Q31-V85 PolarHBondContact O-N 2.86Å; V85-Y87 HydrophobicContact CB-CE2 3.69Å; V85-Y87 HydrophobicContact CG1-CD2 4.22Å; V85-Y87 HydrophobicContact CG1-CE1 4.08Å; V85-Y87 HydrophobicContact CG1-CE2 3.47Å; V85-Y87 VanDerWaalsContact CG1-CE2 3.47Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.44Å; V85-T100 HydrophobicContact CG2-CG2 4.48Å
86	Y	96	Very high	88	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.008	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126	-178.6	-71.7	-98.2	0	0	0	110.1	L12 V29 K30 I40 L73 L75 D82 A84 G98 T99 L101	L12-Y86 VanDerWaalsContact CD1-CB 3.44Å; L12-Y86 HydrophobicContact CD1-CD1 4.09Å; L12-Y86 HydrophobicContact CD1-CD2 4.16Å; L12-Y86 HydrophobicContact CD1-CG 3.64Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.4Å; K30-Y86 HydrophobicContact CB-CD1 4.27Å; K30-Y86 HydrophobicContact CB-CE1 3.98Å; K30-Y86 HydrophobicContact CD-CE1 4.16Å; K30-Y86 HydrophobicContact CG-CD1 4.47Å; K30-Y86 HydrophobicContact CG-CE1 3.9Å; K30-Y86 HydrophobicContact CG-CE2 4.48Å; I40-Y86 HydrophobicContact CD1-CD1 3.63Å; I40-Y86 HydrophobicContact CD1-CE1 3.67Å; L73-Y86 HydrophobicContact CD2-CD1 3.93Å; L73-Y86 HydrophobicContact CD2-CE1 4.47Å; L75-Y86 HydrophobicContact CD1-CD1 4.09Å; L75-Y86 HydrophobicContact CD1-CE1 3.44Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.44Å; L75-Y86 HydrophobicContact CD1-CE2 4.34Å; D82-Y86 WeakPolarHBondContact O-CE2 3.23Å; D82-Y86 PolarHBondContact O-OH 3.03Å; A84-Y86 HydrophobicContact CB-CD2 4.34Å; A84-Y86 HydrophobicContact CB-CE2 3.79Å; Y86-G98 CarbonylContact O-C 3.53Å; Y86-G98 VanDerWaalsContact O-CA 3.25Å; Y86-G98 WeakPolarHBondContact O-CA 3.45Å; Y86-T99 PolarHBondContact N-O 3.32Å; Y86-T99 PolarHBondContact O-N 2.98Å; Y86-L101 HydrophobicContact CD2-CB 3.85Å; Y86-L101 HydrophobicContact CD2-CD2 4.34Å; Y86-L101 HydrophobicContact CE2-CB 3.75Å; Y86-L101 HydrophobicContact CE2-CD2 3.69Å; Y86-L101 HydrophobicContact CE2-CG 4.33Å
87	Y	94.6	Very high	87.6	Confident	45 Å²	45	66.1 Å²	66.1	18%	0.176	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	144.2	-178.3	-62.6	-87.5	0	0	0	110.9	W28 V29 Q31 V85 W95 G96 G98	W28-Y87 WeakPolarHBondContact CA-O 3.32Å; V29-Y87 PolarHBondContact N-O 2.8Å; V29-Y87 PolarHBondContact O-N 3.25Å; Q31-Y87 HydrophobicContact CB-CD2 4.13Å; Q31-Y87 HydrophobicContact CB-CE2 3.69Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.28Å; Q31-Y87 PolarHBondContact OE1-OH 2.79Å; V85-Y87 HydrophobicContact CB-CE2 3.69Å; V85-Y87 HydrophobicContact CG1-CD2 4.22Å; V85-Y87 HydrophobicContact CG1-CE1 4.08Å; V85-Y87 HydrophobicContact CG1-CE2 3.47Å; V85-Y87 VanDerWaalsContact CG1-CE2 3.47Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.44Å; Y87-W95 HydrophobicContact CD1-CE3 4.07Å; Y87-W95 HydrophobicContact CD2-CE3 4.42Å; Y87-W95 HydrophobicContact CD2-CZ3 4.24Å; Y87-W95 AromaticContact CG-CE3 3.77Å; Y87-W95 HydrophobicContact CG-CE3 3.77Å; Y87-W95 AromaticContact CG-CZ3 3.97Å; Y87-W95 HydrophobicContact CG-CZ3 3.97Å; Y87-G96 WeakPolarHBondContact CD1-O 3.47Å; Y87-G98 VanDerWaalsContact CD1-CA 3.43Å
88	C	93.3	Very high	87.4	Confident	10 Å²	10	63.7 Å²	63.7	7%	0.068	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	148.9	159.6	54.6	0	0	0	0	109.3	C14 H27 W28 G96	C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.36Å; C14-C88 WeakPolarHBondContact SG-CB 3.38Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.44Å; H27-C88 CarbonylContact O-C 3.37Å; H27-C88 VanDerWaalsContact O-CA 3.26Å; H27-C88 WeakPolarHBondContact O-CA 3.49Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.25Å; W28-C88 HydrophobicContact CZ2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.2Å; C88-G96 PolarHBondContact O-N 2.91Å
89	A	90.4	Very high	87.4	Confident	4 Å²	4	65.5 Å²	65.5	3%	0.033	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	147.6	174.8	0	0	0	0	0	111.9	H27 S94 W95	H27-A89 PolarHBondContact N-O 3.41Å; H27-A89 PolarHBondContact O-N 2.88Å; A89-S94 WeakPolarHBondContact CA-O 3.28Å; A89-S94 WeakPolarHBondContact CB-O 3.16Å; A89-W95 HydrophobicContact CB-CD2 4.23Å; A89-W95 HydrophobicContact CB-CG 4.41Å
90	N	84.8	Confident	87.4	Confident	15 Å²	15	65.8 Å²	65.8	8%	0.08	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.5	165.1	69.7	-34.5	0	0	0	109.4	Y16 F19 T24 M26 F92 S94	Y16-N90 HydrophobicContact CE1-CB 4.47Å; F19-N90 HydrophobicContact CZ-CB 4.41Å; F19-N90 WeakPolarHBondContact CZ-ND2 3.23Å; T24-N90 HydrophobicContact CG2-CB 4.21Å; M26-N90 HydrophobicContact CE-CB 3.33Å; N90-F92 VanDerWaalsContact C-N 3.27Å; N90-F92 PolarHBondContact O-N 3.46Å; N90-S94 PolarHBondContact N-O 2.86Å; N90-S94 VanDerWaalsContact N-O 3.09Å; N90-S94 PolarHBondContact O-N 2.83Å; N90-S94 WeakPolarHBondContact OD1-CB 3.34Å; N90-S94 PolarHBondContact OD1-O 3.06Å; N90-S94 PolarHBondContact OD1-OG 3.1Å
91	W	66.5	Low	87.6	Confident	176 Å²	176	61.7 Å²	61.7	67%	0.667	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.6	40.5	176	-81.9	-32.1	0	0	0	117.6	D93	W91-D93 PolarHBondContact O-N 2.77Å
92	F	62.1	Low	87.8	Confident	144 Å²	144	57.8 Å²	57.8	63%	0.632	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	-21.7	178.4	-62.3	-72.1	0	0	0	117.2	N90 W95	N90-F92 VanDerWaalsContact C-N 3.27Å; N90-F92 PolarHBondContact O-N 3.46Å; F92-W95 PolarHBondContact O-NE1 2.79Å
93	D	65.4	Low	87.8	Confident	150 Å²	150	57.7 Å²	57.7	80%	0.802	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-19.7	-172.7	-68.9	-25.1	0	0	0	113.9	W91	W91-D93 PolarHBondContact O-N 2.77Å
94	S	77.6	Confident	87.6	Confident	66 Å²	66	57.7 Å²	57.7	46%	0.462	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.7	172.8	-20.8	0	0	0	0	112.4	A89 N90	A89-S94 WeakPolarHBondContact CA-O 3.28Å; A89-S94 WeakPolarHBondContact CB-O 3.16Å; N90-S94 PolarHBondContact N-O 2.86Å; N90-S94 VanDerWaalsContact N-O 3.09Å; N90-S94 PolarHBondContact O-N 2.83Å; N90-S94 WeakPolarHBondContact OD1-CB 3.34Å; N90-S94 PolarHBondContact OD1-O 3.06Å; N90-S94 PolarHBondContact OD1-OG 3.1Å
95	W	86.5	Confident	86.7	Confident	110 Å²	110	64.8 Å²	64.8	42%	0.417	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	141.2	-178.1	-69.8	68.6	0	0	0	109.8	V29 L37 Y87 A89 F92	V29-W95 HydrophobicContact CB-CH2 4.18Å; V29-W95 HydrophobicContact CB-CZ3 4Å; V29-W95 HydrophobicContact CG1-CH2 4.03Å; V29-W95 HydrophobicContact CG1-CZ3 4.1Å; V29-W95 HydrophobicContact CG2-CH2 3.98Å; V29-W95 HydrophobicContact CG2-CZ3 4.15Å; L37-W95 HydrophobicContact CD1-CH2 3.78Å; L37-W95 HydrophobicContact CD1-CZ2 4.31Å; L37-W95 HydrophobicContact CD2-CH2 4.03Å; L37-W95 HydrophobicContact CD2-CZ3 4.04Å; L37-W95 HydrophobicContact CG-CH2 4.48Å; Y87-W95 HydrophobicContact CD1-CE3 4.07Å; Y87-W95 HydrophobicContact CD2-CE3 4.42Å; Y87-W95 HydrophobicContact CD2-CZ3 4.24Å; Y87-W95 AromaticContact CG-CE3 3.77Å; Y87-W95 HydrophobicContact CG-CE3 3.77Å; Y87-W95 AromaticContact CG-CZ3 3.97Å; Y87-W95 HydrophobicContact CG-CZ3 3.97Å; A89-W95 HydrophobicContact CB-CD2 4.23Å; A89-W95 HydrophobicContact CB-CG 4.41Å; F92-W95 PolarHBondContact O-NE1 2.79Å
96	G	86.4	Confident	86.3	Confident	23 Å²	23	66.5 Å²	66.5	24%	0.237	36%	0.358	C	S	.	.			trans	-67.2	167.1	166.7	0	0	0	0	0	111.6	Y87 C88 G98	Y87-G96 WeakPolarHBondContact CD1-O 3.47Å; C88-G96 PolarHBondContact O-N 2.91Å; G96-G98 PolarHBondContact O-N 2.94Å
97	Q	88.1	Confident	85.8	Confident	193 Å²	193	69.9 Å²	69.9	90%	0.902	38%	0.377	S	S	*	.			trans	-59.7	-20.9	178.5	-66.8	-65.2	-52.4	0	0	113.5
98	G	91.8	Very high	85.3	Confident	25 Å²	25	71.3 Å²	71.3	26%	0.258	39%	0.388	S	S	.	.			trans	82.2	149.1	-176.3	0	0	0	0	0	112.3	Y86 Y87 G96	Y86-G98 CarbonylContact O-C 3.53Å; Y86-G98 VanDerWaalsContact O-CA 3.25Å; Y86-G98 WeakPolarHBondContact O-CA 3.45Å; Y87-G98 VanDerWaalsContact CD1-CA 3.43Å; G96-G98 PolarHBondContact O-N 2.94Å
99	T	94.7	Very high	84.8	Confident	39 Å²	39	74.9 Å²	74.9	24%	0.239	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	115.3	175.1	-59.1	0	0	0	0	109	E2 L12 Y86 L101	E2-T99 HydrophobicContact CG-CG2 4.4Å; L12-T99 HydrophobicContact CD2-CG2 3.84Å; Y86-T99 PolarHBondContact N-O 3.32Å; Y86-T99 PolarHBondContact O-N 2.98Å; T99-L101 PolarHBondContact O-N 3.06Å
100	T	95.6	Very high	84.5	Confident	63 Å²	63	79.3 Å²	79.3	39%	0.387	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	119.8	170.4	-48.6	0	0	0	0	109.4	A1 E2 V85	A1-T100 CarbonylContact C-O 3.51Å; A1-T100 WeakPolarHBondContact CA-O 3.35Å; E2-T100 PolarHBondContact N-O 3.5Å; V85-T100 HydrophobicContact CG2-CG2 4.48Å
101	L	94.7	Very high	84.5	Confident	0 Å²	0	83.6 Å²	83.6	0%	0	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.3	171.4	179.7	65.8	0	0	0	108.1	E2 V4 V10 L75 L78 T83 A84 Y86 T99 V103	E2-L101 HydrophobicContact CB-CD1 3.85Å; E2-L101 WeakPolarHBondContact O-CA 3.44Å; V4-L101 HydrophobicContact CG1-CD1 4.3Å; V4-L101 HydrophobicContact CG2-CD1 3.82Å; V10-L101 HydrophobicContact CG1-CD1 4.04Å; V10-L101 HydrophobicContact CG1-CD2 3.98Å; V10-L101 HydrophobicContact CG2-CD1 4.41Å; L75-L101 HydrophobicContact CD1-CD2 4.12Å; L78-L101 HydrophobicContact CD1-CD2 4.16Å; L78-L101 HydrophobicContact CD2-CD2 4.04Å; T83-L101 VanDerWaalsContact CA-O 3.29Å; T83-L101 WeakPolarHBondContact CA-O 3.34Å; A84-L101 PolarHBondContact N-O 2.59Å; A84-L101 PolarHBondContact O-N 2.9Å; Y86-L101 HydrophobicContact CD2-CB 3.85Å; Y86-L101 HydrophobicContact CD2-CD2 4.34Å; Y86-L101 HydrophobicContact CE2-CB 3.75Å; Y86-L101 HydrophobicContact CE2-CD2 3.69Å; Y86-L101 HydrophobicContact CE2-CG 4.33Å; T99-L101 PolarHBondContact O-N 3.06Å; L101-V103 HydrophobicContact CG-CG2 4.35Å
102	T	95.3	Very high	85.7	Confident	49 Å²	49	77 Å²	77	30%	0.301	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.4	175.9	-57.1	0	0	0	0	109.1	E2 L3 V4 T83	E2-T102 PolarHBondContact O-N 3.29Å; L3-T102 WeakPolarHBondContact CA-O 3.29Å; L3-T102 HydrophobicContact CD1-CG2 3.7Å; V4-T102 PolarHBondContact N-O 3.49Å; T83-T102 HydrophobicContact CG2-CG2 4.4Å
103	V	93.8	Very high	87.6	Confident	8 Å²	8	71.8 Å²	71.8	5%	0.048	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	104.3	177.8	-170.5	0	0	0	0	108.8	V4 P6 L78 T79 D82 T83 L101	V4-V103 HydrophobicContact CG2-CB 4.39Å; V4-V103 HydrophobicContact CG2-CG1 4.42Å; V4-V103 HydrophobicContact CG2-CG2 3.82Å; V4-V103 WeakPolarHBondContact O-CA 3.04Å; P6-V103 HydrophobicContact CB-CG1 4.45Å; P6-V103 HydrophobicContact CG-CG1 4.18Å; L78-V103 HydrophobicContact CB-CG1 4.22Å; L78-V103 HydrophobicContact CB-CG2 4.08Å; L78-V103 HydrophobicContact CD1-CG2 4.47Å; T79-V103 WeakPolarHBondContact O-CB 3.27Å; T79-V103 WeakPolarHBondContact O-CG1 3.09Å; T79-V103 WeakPolarHBondContact O-CG2 3.44Å; D82-V103 HydrophobicContact CB-CG2 4.16Å; T83-V103 PolarHBondContact OG1-N 2.91Å; L101-V103 HydrophobicContact CG-CG2 4.35Å
104	S	91	Very high	89.4	Confident	53 Å²	53	65.3 Å²	65.3	37%	0.371	39%	0.392	S	S	.	.			trans	-141	151.5	-179.4	68.2	0	0	0	0	111.9	L3 V4	L3-S104 WeakPolarHBondContact CD1-OG 3.38Å; V4-S104 PolarHBondContact O-N 2.63Å
105	S	77.5	Confident	90.5	Very high	155 Å²	155	65.3 Å²	65.3	100%	1.084	39%	0.386	S	S	*	.			trans	-74.5	0	174.6	57.7	0	0	0	0	112.5

Retrieved 105 of 105 residues in 28.7 ms (Link to these results)

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