X5J4I8_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4I8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 92 aa.

						>X5J4I8_MOUSE|X5J4I8
GLVQPGGSLKLSCAASGFDFSRYWMSWVRQAPGKGLEWIGEINPDSSTINYTPSLKDKFIISRDNAKNTLYLQMSIVRSEDTALYYCTRLNY
					

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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	G	64.9	Low	87	Confident	101 Å²	101	83.6 Å²	83.6	100%	1.041	53%	0.531	S	S	*	.				0	145.3	0	0	0	0	0	0	108.4
2	L	79.3	Confident	87.9	Confident	175 Å²	175	83.8 Å²	83.8	92%	0.916	54%	0.537	S	S	*	.			trans	-84	132.6	173.4	-174.3	68.7	0	0	0	108.4
3	V	85.5	Confident	88.7	Confident	46 Å²	46	78.8 Å²	78.8	28%	0.279	51%	0.506	S	S	.	.			trans	-131.5	145.6	174.4	84.8	0	0	0	0	108.6	L9 V77	V3-L9 HydrophobicContact CG1-CB 4.46Å; V3-V77 HydrophobicContact CG1-CB 3.71Å; V3-V77 HydrophobicContact CG1-CG1 3.6Å; V3-V77 HydrophobicContact CG1-CG2 3.89Å
4	Q	85.1	Confident	89.3	Confident	149 Å²	149	78.9 Å²	78.9	70%	0.696	52%	0.517	S	S	*	.			trans	-69.3	145.2	174.9	-67.6	-65.5	-14.2	0	0	110.1	G6 G7	Q4-G6 PolarHBondContact O-N 3.29Å; Q4-G7 PolarHBondContact O-N 2.98Å
5	P	85.7	Confident	89.8	Confident	95 Å²	95	74.9 Å²	74.9	62%	0.617	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	138.6	172	-26	34.6	0	0	0	111.8	G7 V77	P5-G7 VanDerWaalsContact C-N 3.27Å; P5-G7 PolarHBondContact O-N 3.26Å; P5-V77 CarbonylContact C-O 3.58Å; P5-V77 VanDerWaalsContact CA-O 3.3Å; P5-V77 WeakPolarHBondContact CA-O 3.42Å
6	G	87.1	Confident	90.2	Very high	51 Å²	51	76.8 Å²	76.8	53%	0.526	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	-10.3	-174.8	0	0	0	0	0	114.7	Q4 V77	Q4-G6 PolarHBondContact O-N 3.29Å; G6-V77 PolarHBondContact N-O 3.07Å
7	G	90.4	Very high	90.5	Very high	26 Å²	26	77.5 Å²	77.5	27%	0.268	53%	0.532	S	S	.	.			trans	-74.2	176.5	173.7	0	0	0	0	0	113.8	Q4 P5 I76 V77	Q4-G7 PolarHBondContact O-N 2.98Å; P5-G7 VanDerWaalsContact C-N 3.27Å; P5-G7 PolarHBondContact O-N 3.26Å; G7-I76 WeakPolarHBondContact O-CA 3.24Å; G7-I76 PolarHBondContact O-N 3.26Å; G7-I76 VanDerWaalsContact O-N 3.16Å; G7-V77 PolarHBondContact O-N 3.16Å
8	S	91.8	Very high	90.6	Very high	86 Å²	86	76.1 Å²	76.1	60%	0.601	52%	0.515	S	S	*	.			trans	-112.2	149.4	169.6	60.7	0	0	0	0	110.5	M74	S8-M74 VanDerWaalsContact CA-O 3.28Å; S8-M74 WeakPolarHBondContact CA-O 3.36Å; S8-M74 WeakPolarHBondContact CB-O 3.48Å
9	L	93.7	Very high	90.9	Very high	43 Å²	43	76.3 Å²	76.3	23%	0.225	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	136.5	178.7	179.2	63.1	0	0	0	109.5	V3 L11 M74 V77	V3-L9 HydrophobicContact CG1-CB 4.46Å; L9-L11 HydrophobicContact CD2-CD2 3.98Å; L9-L11 HydrophobicContact CG-CD2 4.15Å; L9-M74 HydrophobicContact CB-CE 3.91Å; L9-M74 HydrophobicContact CD2-CE 3.69Å; L9-M74 HydrophobicContact CG-CE 3.74Å; L9-M74 PolarHBondContact N-O 3.47Å; L9-M74 PolarHBondContact O-N 2.91Å; L9-V77 HydrophobicContact CB-CG2 4.22Å
10	K	95.9	Very high	91.1	Very high	113 Å²	113	72.5 Å²	72.5	49%	0.491	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	117.5	172.2	-173.9	173.5	-179.7	173.6	0	109.3	Y71 L72	K10-Y71 HydrophobicContact CD-CD1 4.49Å; K10-Y71 VanDerWaalsContact CE-CD1 3.45Å; K10-L72 CarbonylContact C-O 3.59Å; K10-L72 WeakPolarHBondContact CA-O 3.25Å
11	L	97.1	Very high	91.3	Very high	35 Å²	35	71 Å²	71	18%	0.183	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	148.8	171.7	-56.2	178.3	0	0	0	109.6	L9 W27 Y71 L72 M74 Y85	L9-L11 HydrophobicContact CD2-CD2 3.98Å; L9-L11 HydrophobicContact CG-CD2 4.15Å; L11-W27 HydrophobicContact CB-CH2 3.94Å; L11-W27 HydrophobicContact CB-CZ2 4.42Å; L11-W27 HydrophobicContact CD1-CZ3 4.36Å; L11-Y71 VanDerWaalsContact O-CA 3.24Å; L11-Y71 WeakPolarHBondContact O-CA 3.42Å; L11-L72 HydrophobicContact CB-CB 4.31Å; L11-L72 HydrophobicContact CD1-CD2 4.34Å; L11-L72 PolarHBondContact N-O 3.11Å; L11-L72 PolarHBondContact O-N 2.83Å; L11-M74 HydrophobicContact CD1-CE 3.68Å; L11-M74 HydrophobicContact CD2-CE 4.2Å; L11-M74 HydrophobicContact CG-CE 3.52Å; L11-Y85 HydrophobicContact CD1-CD1 4.06Å; L11-Y85 HydrophobicContact CD1-CD2 4.07Å; L11-Y85 HydrophobicContact CD1-CG 3.64Å
12	S	98.1	Very high	92.8	Very high	86 Å²	86	75.2 Å²	75.2	60%	0.601	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.2	171.8	58.5	0	0	0	0	110.2	L70	S12-L70 CarbonylContact C-O 3.52Å; S12-L70 WeakPolarHBondContact CA-O 3.21Å
13	C	98	Very high	93.6	Very high	19 Å²	19	70.7 Å²	70.7	13%	0.128	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	109.2	172.9	164.6	0	0	0	0	108.9	W27 T69 L70 C87	C13-W27 HydrophobicContact CB-CH2 3.9Å; C13-W27 HydrophobicContact CB-CZ2 4.09Å; C13-T69 CarbonylContact O-C 3.57Å; C13-T69 VanDerWaalsContact O-CA 3.32Å; C13-T69 WeakPolarHBondContact O-CA 3.37Å; C13-L70 HydrophobicContact CB-CB 4.39Å; C13-L70 PolarHBondContact N-O 2.76Å; C13-L70 PolarHBondContact O-N 2.81Å; C13-C87 HydrophobicContact CB-CB 3.46Å; C13-C87 VanDerWaalsContact CB-CB 3.46Å; C13-C87 WeakPolarHBondContact CB-SG 3.23Å; C13-C87 WeakPolarHBondContact SG-CB 3.25Å; C13-C87 CovalentContact SG-SG 2.01Å; C13-C87 PolarHBondContact SG-SG 2.62Å
14	A	97.9	Very high	94.2	Very high	80 Å²	80	71.2 Å²	71.2	66%	0.661	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	125.8	174.7	0	0	0	0	0	109.6
15	A	96.4	Very high	94.8	Very high	18 Å²	18	64.3 Å²	64.3	15%	0.149	40%	0.396	C	S	.	.			trans	-94.7	147.8	178.2	0	0	0	0	0	111.2	F18 F20 N68	A15-F18 HydrophobicContact CB-CE1 3.78Å; A15-F18 HydrophobicContact CB-CE2 4.43Å; A15-F18 HydrophobicContact CB-CZ 3.58Å; A15-F20 HydrophobicContact CB-CB 4.4Å; A15-F20 HydrophobicContact CB-CD2 3.55Å; A15-F20 HydrophobicContact CB-CE2 4.22Å; A15-F20 HydrophobicContact CB-CG 4.34Å; A15-N68 PolarHBondContact N-O 2.81Å
16	S	96.2	Very high	95.3	Very high	105 Å²	105	59.8 Å²	59.8	73%	0.734	37%	0.367	S	S	*	.			trans	-145.5	160.2	173.1	60.7	0	0	0	0	110.1	F18	S16-F18 VanDerWaalsContact C-N 3.35Å; S16-F18 WeakPolarHBondContact O-CD1 3.42Å; S16-F18 PolarHBondContact O-N 3.24Å
17	G	95.4	Very high	95.9	Very high	89 Å²	89	57.7 Å²	57.7	92%	0.918	34%	0.343	S	S	*	.	S	Bend	trans	80.8	6.5	177.6	0	0	0	0	0	115.8
18	F	93.1	Very high	96.2	Very high	53 Å²	53	57.3 Å²	57.3	23%	0.232	34%	0.335	C	S	.	.	S	Bend	trans	-155.7	163.5	171.6	64.5	-82.5	0	0	0	111.3	A15 S16 F20 Y23 M25 R89	A15-F18 HydrophobicContact CB-CE1 3.78Å; A15-F18 HydrophobicContact CB-CE2 4.43Å; A15-F18 HydrophobicContact CB-CZ 3.58Å; S16-F18 VanDerWaalsContact C-N 3.35Å; S16-F18 WeakPolarHBondContact O-CD1 3.42Å; S16-F18 PolarHBondContact O-N 3.24Å; F18-F20 HydrophobicContact CE2-CB 4.24Å; F18-F20 HydrophobicContact CE2-CD2 4.28Å; F18-F20 HydrophobicContact CZ-CD2 4.36Å; F18-F20 PolarHBondContact O-N 3.22Å; F18-Y23 AromaticContact CD2-CD2 3.67Å; F18-Y23 HydrophobicContact CD2-CD2 3.67Å; F18-Y23 HydrophobicContact CD2-CE2 4.02Å; F18-Y23 HydrophobicContact CE2-CD2 4.15Å; F18-M25 HydrophobicContact CE2-SD 4.09Å; F18-M25 HydrophobicContact CZ-CE 4.17Å; F18-M25 HydrophobicContact CZ-SD 4.22Å; F18-R89 HydrophobicContact CD2-CG 4.42Å; F18-R89 HydrophobicContact CE2-CB 4.39Å; F18-R89 VanDerWaalsContact CE2-CD 3.48Å; F18-R89 HydrophobicContact CE2-CG 3.92Å; F18-R89 HydrophobicContact CZ-CB 4.19Å; F18-R89 HydrophobicContact CZ-CG 4.22Å
19	D	94.9	Very high	96.4	Very high	79 Å²	79	54.3 Å²	54.3	42%	0.422	31%	0.311	S	S	.	.			trans	-75.2	90.3	173	-176.7	-6	0	0	0	110.2	S21 R22 Y23	D19-S21 PolarHBondContact O-N 2.82Å; D19-S21 VanDerWaalsContact O-N 3.12Å; D19-S21 WeakPolarHBondContact OD1-CB 3.14Å; D19-S21 PolarHBondContact OD1-N 2.64Å; D19-S21 PolarHBondContact OD1-OG 2.92Å; D19-R22 HydrophobicContact CB-CG 4.33Å; D19-R22 PolarHBondContact O-N 3.09Å; D19-R22 VanDerWaalsContact O-N 3.11Å; D19-R22 WeakPolarHBondContact OD2-CD 3.43Å; D19-R22 VanDerWaalsContact OD2-CG 3.23Å; D19-R22 WeakPolarHBondContact OD2-CG 3.3Å; D19-Y23 WeakPolarHBondContact O-CD2 3.48Å
20	F	95.9	Very high	96.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-51.5	-36	-178.6	177.3	-95.8	0	0	0	112.8	A15 F18 R22 Y23 M25 R63 N65 N68 L70	A15-F20 HydrophobicContact CB-CB 4.4Å; A15-F20 HydrophobicContact CB-CD2 3.55Å; A15-F20 HydrophobicContact CB-CE2 4.22Å; A15-F20 HydrophobicContact CB-CG 4.34Å; F18-F20 HydrophobicContact CE2-CB 4.24Å; F18-F20 HydrophobicContact CE2-CD2 4.28Å; F18-F20 HydrophobicContact CZ-CD2 4.36Å; F18-F20 PolarHBondContact O-N 3.22Å; F20-R22 PolarHBondContact O-N 2.74Å; F20-R22 VanDerWaalsContact O-N 3.14Å; F20-Y23 PolarHBondContact O-N 2.79Å; F20-M25 HydrophobicContact CD2-CE 4.17Å; F20-M25 HydrophobicContact CD2-CG 4.07Å; F20-M25 HydrophobicContact CD2-SD 3.97Å; F20-M25 HydrophobicContact CE2-CB 4.5Å; F20-M25 HydrophobicContact CE2-CE 3.87Å; F20-M25 HydrophobicContact CE2-CG 3.54Å; F20-M25 HydrophobicContact CE2-SD 3.92Å; F20-M25 HydrophobicContact CZ-CG 3.95Å; F20-R63 HydrophobicContact CE1-CB 4.14Å; F20-R63 VanDerWaalsContact CE1-NH2 3.32Å; F20-R63 HydrophobicContact CZ-CB 4.14Å; F20-R63 PolarHBondContact O-NH2 2.78Å; F20-N65 WeakPolarHBondContact CD1-OD1 3.42Å; F20-N65 WeakPolarHBondContact CE1-OD1 3.43Å; F20-N68 HydrophobicContact CB-CB 3.94Å; F20-N68 WeakPolarHBondContact CB-OD1 3.24Å; F20-N68 HydrophobicContact CG-CB 4.21Å; F20-L70 HydrophobicContact CE2-CB 4.22Å; F20-L70 HydrophobicContact CZ-CB 4.1Å
21	S	95.7	Very high	96.6	Very high	43 Å²	43	51 Å²	51	30%	0.301	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-64	-20.1	-175.9	77.2	0	0	0	0	113.5	D19 P44	D19-S21 PolarHBondContact O-N 2.82Å; D19-S21 VanDerWaalsContact O-N 3.12Å; D19-S21 WeakPolarHBondContact OD1-CB 3.14Å; D19-S21 PolarHBondContact OD1-N 2.64Å; D19-S21 PolarHBondContact OD1-OG 2.92Å; S21-P44 VanDerWaalsContact O-CB 3.24Å; S21-P44 WeakPolarHBondContact O-CB 3.39Å
22	R	95.4	Very high	96.5	Very high	188 Å²	188	54.5 Å²	54.5	71%	0.709	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-93.9	-10	-175.5	-66	-173	70.7	176.9	2.8	115	D19 F20	D19-R22 HydrophobicContact CB-CG 4.33Å; D19-R22 PolarHBondContact O-N 3.09Å; D19-R22 VanDerWaalsContact O-N 3.11Å; D19-R22 WeakPolarHBondContact OD2-CD 3.43Å; D19-R22 VanDerWaalsContact OD2-CG 3.23Å; D19-R22 WeakPolarHBondContact OD2-CG 3.3Å; F20-R22 PolarHBondContact O-N 2.74Å; F20-R22 VanDerWaalsContact O-N 3.14Å
23	Y	96.2	Very high	96.4	Very high	81 Å²	81	54.9 Å²	54.9	32%	0.318	34%	0.342	S	S	.	.	S	Bend	trans	-111.4	149.4	-173.8	-64.8	-86.4	0	0	0	112.5	F18 D19 F20 R63 R89	F18-Y23 AromaticContact CD2-CD2 3.67Å; F18-Y23 HydrophobicContact CD2-CD2 3.67Å; F18-Y23 HydrophobicContact CD2-CE2 4.02Å; F18-Y23 HydrophobicContact CE2-CD2 4.15Å; D19-Y23 WeakPolarHBondContact O-CD2 3.48Å; F20-Y23 PolarHBondContact O-N 2.79Å; Y23-R63 PolarHBondContact O-NH1 3Å; Y23-R89 HydrophobicContact CD1-CG 3.91Å; Y23-R89 HydrophobicContact CD2-CG 4.36Å; Y23-R89 HydrophobicContact CG-CG 3.72Å
24	W	97.4	Very high	96.3	Very high	56 Å²	56	61 Å²	61	21%	0.212	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	140.8	159.2	-74.3	67.3	0	0	0	108.9	E41 I42 N43 T48 L90 Y92	W24-E41 HydrophobicContact CE3-CB 4.25Å; W24-E41 VanDerWaalsContact CE3-CD 3.43Å; W24-E41 HydrophobicContact CE3-CG 3.52Å; W24-E41 HydrophobicContact CZ3-CG 3.64Å; W24-E41 WeakPolarHBondContact CZ3-OE1 3.41Å; W24-I42 WeakPolarHBondContact CA-O 3.43Å; W24-N43 HydrophobicContact CD2-CB 3.71Å; W24-N43 HydrophobicContact CE3-CB 3.97Å; W24-N43 HydrophobicContact CG-CB 4.42Å; W24-N43 HydrophobicContact CH2-CB 3.71Å; W24-N43 HydrophobicContact CZ2-CB 3.4Å; W24-N43 HydrophobicContact CZ3-CB 3.97Å; W24-T48 HydrophobicContact CH2-CG2 3.97Å; W24-L90 HydrophobicContact CB-CB 3.9Å; W24-L90 PolarHBondContact O-N 3.4Å; W24-Y92 AromaticContact CD1-CE2 3.82Å; W24-Y92 HydrophobicContact CG-CE2 4.16Å
25	M	98	Very high	96.1	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.02	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	134	-178.4	-62.3	-57.8	-55.7	0	0	108.9	F18 F20 E41 I42 L70 R89	F18-M25 HydrophobicContact CE2-SD 4.09Å; F18-M25 HydrophobicContact CZ-CE 4.17Å; F18-M25 HydrophobicContact CZ-SD 4.22Å; F20-M25 HydrophobicContact CD2-CE 4.17Å; F20-M25 HydrophobicContact CD2-CG 4.07Å; F20-M25 HydrophobicContact CD2-SD 3.97Å; F20-M25 HydrophobicContact CE2-CB 4.5Å; F20-M25 HydrophobicContact CE2-CE 3.87Å; F20-M25 HydrophobicContact CE2-CG 3.54Å; F20-M25 HydrophobicContact CE2-SD 3.92Å; F20-M25 HydrophobicContact CZ-CG 3.95Å; M25-E41 CarbonylContact O-C 3.42Å; M25-E41 VanDerWaalsContact O-CA 3.23Å; M25-E41 WeakPolarHBondContact O-CA 3.49Å; M25-E41 WeakPolarHBondContact O-CB 3.18Å; M25-I42 HydrophobicContact CB-CG2 4.35Å; M25-I42 PolarHBondContact N-O 2.89Å; M25-I42 VanDerWaalsContact N-O 3.08Å; M25-I42 PolarHBondContact O-N 3.41Å; M25-L70 HydrophobicContact CB-CD1 3.8Å; M25-L70 HydrophobicContact CB-CD2 3.93Å; M25-L70 HydrophobicContact CB-CG 4.38Å; M25-R89 HydrophobicContact CE-CB 4.28Å; M25-R89 HydrophobicContact SD-CB 4.12Å; M25-R89 HydrophobicContact SD-CG 4.15Å
26	S	97.8	Very high	96.1	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	156	-174.9	-37.2	0	0	0	0	111.6	G40 E41 C87 T88	S26-G40 CarbonylContact C-O 3.44Å; S26-G40 VanDerWaalsContact CA-O 3.27Å; S26-G40 WeakPolarHBondContact CA-O 3.43Å; S26-G40 WeakPolarHBondContact CB-O 2.99Å; S26-E41 WeakPolarHBondContact OG-CB 3.5Å; S26-C87 CarbonylContact O-C 3.57Å; S26-C87 WeakPolarHBondContact O-CA 3.08Å; S26-T88 WeakPolarHBondContact CB-OG1 3.42Å; S26-T88 PolarHBondContact N-O 3.03Å; S26-T88 PolarHBondContact O-N 2.81Å
27	W	98.2	Very high	96.1	Very high	7 Å²	7	62.6 Å²	62.6	3%	0.027	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.9	166.7	-78.1	100.8	0	0	0	110.2	L11 C13 I39 G40 L70 Y71 L72 Y86 C87	L11-W27 HydrophobicContact CB-CH2 3.94Å; L11-W27 HydrophobicContact CB-CZ2 4.42Å; L11-W27 HydrophobicContact CD1-CZ3 4.36Å; C13-W27 HydrophobicContact CB-CH2 3.9Å; C13-W27 HydrophobicContact CB-CZ2 4.09Å; W27-I39 HydrophobicContact CB-CB 4.1Å; W27-I39 HydrophobicContact CB-CD1 4.12Å; W27-I39 WeakPolarHBondContact O-CB 3.32Å; W27-I39 PolarHBondContact O-N 3.04Å; W27-G40 PolarHBondContact N-O 3.46Å; W27-L70 HydrophobicContact CD2-CD2 4.25Å; W27-L70 HydrophobicContact CG-CD2 4.23Å; W27-L70 HydrophobicContact CZ2-CD2 4.21Å; W27-L70 HydrophobicContact CZ2-CG 4.28Å; W27-L70 VanDerWaalsContact NE1-CG 3.33Å; W27-Y71 PolarHBondContact NE1-O 2.81Å; W27-L72 HydrophobicContact CB-CD1 4.34Å; W27-L72 HydrophobicContact CB-CD2 4.46Å; W27-L72 HydrophobicContact CD2-CB 3.88Å; W27-L72 HydrophobicContact CD2-CD2 4.07Å; W27-L72 HydrophobicContact CD2-CG 4.4Å; W27-L72 HydrophobicContact CE3-CB 4.48Å; W27-L72 HydrophobicContact CE3-CD2 4.23Å; W27-L72 HydrophobicContact CG-CB 4.2Å; W27-L72 HydrophobicContact CG-CD1 3.98Å; W27-L72 HydrophobicContact CG-CD2 4.18Å; W27-L72 HydrophobicContact CG-CG 4.37Å; W27-L72 HydrophobicContact CH2-CB 4.48Å; W27-L72 HydrophobicContact CZ2-CB 3.87Å; W27-Y86 WeakPolarHBondContact CA-O 3.32Å; W27-Y86 VanDerWaalsContact CE3-O 3.3Å; W27-C87 HydrophobicContact CE3-CB 4.38Å; W27-C87 HydrophobicContact CH2-CB 4.27Å; W27-C87 HydrophobicContact CZ2-CB 4.45Å; W27-C87 HydrophobicContact CZ3-CB 4.23Å
28	V	97.6	Very high	96.2	Very high	18 Å²	18	62.4 Å²	62.4	11%	0.109	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143.4	175.4	-177.4	0	0	0	0	107.6	L36 E37 Y86 T88	V28-L36 HydrophobicContact CG1-CB 3.87Å; V28-L36 HydrophobicContact CG1-CD2 3.75Å; V28-L36 HydrophobicContact CG1-CG 4.33Å; V28-E37 CarbonylContact C-O 3.58Å; V28-E37 WeakPolarHBondContact CA-O 3.4Å; V28-E37 WeakPolarHBondContact CG1-O 3.41Å; V28-Y86 PolarHBondContact N-O 2.98Å; V28-Y86 PolarHBondContact O-N 3.04Å; V28-T88 HydrophobicContact CG2-CG2 4.35Å
29	R	96.6	Very high	96.4	Very high	23 Å²	23	59.9 Å²	59.9	9%	0.087	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	156.3	171.8	67.6	177.7	-171.8	178.9	2.3	112.6	E37 I39 L55 D81 A83 L84 Y85	R29-E37 HydrophobicContact CG-CB 4.19Å; R29-E37 IonicContact CZ-OE2 2.79Å; R29-E37 PolarHBondContact N-O 2.87Å; R29-E37 IonicContact NE-OE2 3.2Å; R29-E37 PolarHBondContact NE-OE2 2.89Å; R29-E37 IonicContact NH2-OE1 3.41Å; R29-E37 IonicContact NH2-OE2 3.62Å; R29-E37 PolarHBondContact NH2-OE2 2.01Å; R29-E37 PolarHBondContact O-N 2.62Å; R29-I39 HydrophobicContact CB-CD1 3.89Å; R29-I39 HydrophobicContact CB-CG1 4.42Å; R29-I39 HydrophobicContact CG-CD1 3.97Å; R29-I39 HydrophobicContact CG-CG1 4.02Å; R29-L55 VanDerWaalsContact NH2-CD2 3.31Å; R29-D81 IonicContact NH1-OD1 3.77Å; R29-D81 PolarHBondContact NH1-OD1 3.49Å; R29-A83 HydrophobicContact CB-CB 3.93Å; R29-A83 HydrophobicContact CG-CB 4.44Å; R29-L84 CarbonylContact C-O 3.58Å; R29-L84 WeakPolarHBondContact CA-O 3.24Å; R29-Y85 HydrophobicContact CB-CD1 3.86Å; R29-Y85 HydrophobicContact CB-CE1 3.84Å; R29-Y85 HydrophobicContact CB-CG 4.34Å
30	Q	97.4	Very high	96.5	Very high	69 Å²	69	56.1 Å²	56.1	32%	0.322	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	105.4	174.4	-169	178.8	21.1	0	0	109.6	K34 L36 A83 L84 Y86	Q30-K34 WeakPolarHBondContact CG-O 3.27Å; Q30-L36 HydrophobicContact CB-CD2 4.05Å; Q30-L36 HydrophobicContact CG-CD2 4.48Å; Q30-A83 WeakPolarHBondContact O-CA 3.4Å; Q30-A83 WeakPolarHBondContact O-CB 3.39Å; Q30-L84 PolarHBondContact N-O 3.41Å; Q30-L84 PolarHBondContact O-N 3.46Å; Q30-Y86 HydrophobicContact CB-CE2 3.98Å; Q30-Y86 PolarHBondContact OE1-OH 2.71Å
31	A	95.8	Very high	96.6	Very high	18 Å²	18	57.1 Å²	57.1	15%	0.149	31%	0.308	C	S	.	.			trans	-75	153.2	173	0	0	0	0	0	110.5	G33 K34 A83	A31-G33 PolarHBondContact O-N 2.66Å; A31-K34 HydrophobicContact CB-CB 4.2Å; A31-K34 HydrophobicContact CB-CD 4.08Å; A31-K34 HydrophobicContact CB-CG 4.2Å; A31-K34 PolarHBondContact O-N 3.28Å; A31-A83 HydrophobicContact CB-CB 4.34Å
32	P	95.4	Very high	96.8	Very high	108 Å²	108	55.2 Å²	55.2	70%	0.701	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	128.1	175.7	-26.3	34.8	0	0	0	111.9	K34 T82	P32-K34 PolarHBondContact O-N 3.28Å; P32-T82 WeakPolarHBondContact CD-O 3.43Å
33	G	95.7	Very high	96.9	Very high	95 Å²	95	46.9 Å²	46.9	98%	0.979	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	5.4	-179.1	0	0	0	0	0	115.6	A31	A31-G33 PolarHBondContact O-N 2.66Å
34	K	94.6	Very high	96.9	Very high	146 Å²	146	44.8 Å²	44.8	64%	0.635	26%	0.261	S	S	*	.			trans	-112.2	159.4	175.7	-60.5	-164.5	-178.4	179.2	0	111.9	Q30 A31 P32	Q30-K34 WeakPolarHBondContact CG-O 3.27Å; A31-K34 HydrophobicContact CB-CB 4.2Å; A31-K34 HydrophobicContact CB-CD 4.08Å; A31-K34 HydrophobicContact CB-CG 4.2Å; A31-K34 PolarHBondContact O-N 3.28Å; P32-K34 PolarHBondContact O-N 3.28Å
35	G	95.3	Very high	96.9	Very high	55 Å²	55	47.4 Å²	47.4	57%	0.567	28%	0.279	S	S	*	.			trans	-70	179.8	169.3	0	0	0	0	0	112.6
36	L	96.1	Very high	96.8	Very high	120 Å²	120	49.7 Å²	49.7	63%	0.628	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	129.5	172.3	-68.8	167.6	0	0	0	110	V28 Q30 Y86	V28-L36 HydrophobicContact CG1-CB 3.87Å; V28-L36 HydrophobicContact CG1-CD2 3.75Å; V28-L36 HydrophobicContact CG1-CG 4.33Å; Q30-L36 HydrophobicContact CB-CD2 4.05Å; Q30-L36 HydrophobicContact CG-CD2 4.48Å; L36-Y86 HydrophobicContact CD2-CD2 4.24Å; L36-Y86 HydrophobicContact CD2-CE2 4.13Å
37	E	96.2	Very high	96.8	Very high	62 Å²	62	53.7 Å²	53.7	29%	0.29	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	117.9	175	-176.2	-178.3	-158.8	0	0	108.6	V28 R29 L55	V28-E37 CarbonylContact C-O 3.58Å; V28-E37 WeakPolarHBondContact CA-O 3.4Å; V28-E37 WeakPolarHBondContact CG1-O 3.41Å; R29-E37 HydrophobicContact CG-CB 4.19Å; R29-E37 IonicContact CZ-OE2 2.79Å; R29-E37 PolarHBondContact N-O 2.87Å; R29-E37 IonicContact NE-OE2 3.2Å; R29-E37 PolarHBondContact NE-OE2 2.89Å; R29-E37 IonicContact NH2-OE1 3.41Å; R29-E37 IonicContact NH2-OE2 3.62Å; R29-E37 PolarHBondContact NH2-OE2 2.01Å; R29-E37 PolarHBondContact O-N 2.62Å; E37-L55 HydrophobicContact CG-CD1 4.3Å
38	W	97.2	Very high	96.8	Very high	85 Å²	85	56.1 Å²	56.1	32%	0.322	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	132.3	174.3	-178.9	84.5	0	0	0	109.8	G40 E41 N50 Y51 T52	W38-G40 VanDerWaalsContact CZ2-C 3.44Å; W38-G40 VanDerWaalsContact CZ2-CA 3.44Å; W38-E41 HydrophobicContact CH2-CG 4.41Å; W38-E41 HydrophobicContact CZ2-CB 3.86Å; W38-E41 HydrophobicContact CZ2-CG 3.65Å; W38-N50 HydrophobicContact CH2-CB 3.8Å; W38-N50 HydrophobicContact CZ2-CB 4.44Å; W38-Y51 VanDerWaalsContact CZ3-C 3.49Å; W38-T52 VanDerWaalsContact CE3-OG1 3.28Å; W38-T52 WeakPolarHBondContact O-CB 3.45Å; W38-T52 PolarHBondContact O-OG1 3.47Å
39	I	97.2	Very high	96.8	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-48	-180	-65	168.5	0	0	0	110.2	W27 R29 Y51 T52 L55 F59 L72 Y85	W27-I39 HydrophobicContact CB-CB 4.1Å; W27-I39 HydrophobicContact CB-CD1 4.12Å; W27-I39 WeakPolarHBondContact O-CB 3.32Å; W27-I39 PolarHBondContact O-N 3.04Å; R29-I39 HydrophobicContact CB-CD1 3.89Å; R29-I39 HydrophobicContact CB-CG1 4.42Å; R29-I39 HydrophobicContact CG-CD1 3.97Å; R29-I39 HydrophobicContact CG-CG1 4.02Å; I39-Y51 WeakPolarHBondContact O-CA 3.32Å; I39-T52 PolarHBondContact O-N 3.05Å; I39-L55 HydrophobicContact CB-CD1 4.45Å; I39-L55 HydrophobicContact CG1-CD1 4.09Å; I39-F59 HydrophobicContact CG2-CB 3.99Å; I39-F59 HydrophobicContact CG2-CD2 4.03Å; I39-F59 HydrophobicContact CG2-CG 3.93Å; I39-L72 HydrophobicContact CD1-CD2 3.97Å; I39-L72 HydrophobicContact CG2-CD1 4.34Å; I39-Y85 HydrophobicContact CD1-CD1 3.75Å; I39-Y85 HydrophobicContact CD1-CE1 3.69Å
40	G	97.6	Very high	96.8	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.1	175.4	-172.6	0	0	0	0	0	112.2	S26 W27 W38 N50	S26-G40 CarbonylContact C-O 3.44Å; S26-G40 VanDerWaalsContact CA-O 3.27Å; S26-G40 WeakPolarHBondContact CA-O 3.43Å; S26-G40 WeakPolarHBondContact CB-O 2.99Å; W27-G40 PolarHBondContact N-O 3.46Å; W38-G40 VanDerWaalsContact CZ2-C 3.44Å; W38-G40 VanDerWaalsContact CZ2-CA 3.44Å; G40-N50 CarbonylContact C-O 3.56Å; G40-N50 WeakPolarHBondContact CA-O 3.44Å
41	E	97.8	Very high	96.8	Very high	21 Å²	21	59.2 Å²	59.2	10%	0.098	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	157.1	179	70.6	-171.6	171.9	0	0	111.8	W24 M25 S26 W38 I49 N50	W24-E41 HydrophobicContact CE3-CB 4.25Å; W24-E41 VanDerWaalsContact CE3-CD 3.43Å; W24-E41 HydrophobicContact CE3-CG 3.52Å; W24-E41 HydrophobicContact CZ3-CG 3.64Å; W24-E41 WeakPolarHBondContact CZ3-OE1 3.41Å; M25-E41 CarbonylContact O-C 3.42Å; M25-E41 VanDerWaalsContact O-CA 3.23Å; M25-E41 WeakPolarHBondContact O-CA 3.49Å; M25-E41 WeakPolarHBondContact O-CB 3.18Å; S26-E41 WeakPolarHBondContact OG-CB 3.5Å; W38-E41 HydrophobicContact CH2-CG 4.41Å; W38-E41 HydrophobicContact CZ2-CB 3.86Å; W38-E41 HydrophobicContact CZ2-CG 3.65Å; E41-I49 VanDerWaalsContact O-CA 3.29Å; E41-I49 WeakPolarHBondContact O-CA 3.01Å; E41-I49 VanDerWaalsContact O-CG2 3.24Å; E41-I49 WeakPolarHBondContact O-CG2 3.36Å; E41-N50 HydrophobicContact CG-CB 4.1Å; E41-N50 PolarHBondContact N-O 2.87Å; E41-N50 PolarHBondContact O-N 2.79Å; E41-N50 PolarHBondContact OE1-ND2 3.14Å; E41-N50 VanDerWaalsContact OE1-ND2 3.12Å
42	I	98.3	Very high	96.8	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.015	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.5	179	-175	161.2	0	0	0	109.8	W24 M25 I49 I61 R63 L70	W24-I42 WeakPolarHBondContact CA-O 3.43Å; M25-I42 HydrophobicContact CB-CG2 4.35Å; M25-I42 PolarHBondContact N-O 2.89Å; M25-I42 VanDerWaalsContact N-O 3.08Å; M25-I42 PolarHBondContact O-N 3.41Å; I42-I49 HydrophobicContact CB-CG1 4.39Å; I42-I49 HydrophobicContact CD1-CD1 3.87Å; I42-I49 HydrophobicContact CD1-CG1 3.96Å; I42-I49 HydrophobicContact CG1-CD1 4.44Å; I42-I49 HydrophobicContact CG1-CG1 3.97Å; I42-I61 HydrophobicContact CB-CG2 3.88Å; I42-I61 HydrophobicContact CD1-CG2 4.49Å; I42-I61 HydrophobicContact CG2-CG2 3.62Å; I42-R63 HydrophobicContact CD1-CG 3.97Å; I42-R63 HydrophobicContact CG1-CG 4.4Å; I42-R63 HydrophobicContact CG2-CB 4.47Å; I42-L70 HydrophobicContact CG2-CD1 3.55Å
43	N	97.4	Very high	96.8	Very high	14 Å²	14	60.2 Å²	60.2	8%	0.075	36%	0.36	C	S	.	.			trans	-76.6	166.5	179.6	77.8	-28.7	0	0	0	112	W24 D45 S46 S47 T48 R63	W24-N43 HydrophobicContact CD2-CB 3.71Å; W24-N43 HydrophobicContact CE3-CB 3.97Å; W24-N43 HydrophobicContact CG-CB 4.42Å; W24-N43 HydrophobicContact CH2-CB 3.71Å; W24-N43 HydrophobicContact CZ2-CB 3.4Å; W24-N43 HydrophobicContact CZ3-CB 3.97Å; N43-D45 VanDerWaalsContact C-N 3.34Å; N43-D45 VanDerWaalsContact CG-OD1 3.24Å; N43-D45 PolarHBondContact ND2-OD1 3.16Å; N43-D45 PolarHBondContact O-N 2.87Å; N43-D45 PolarHBondContact OD1-OD1 2.9Å; N43-S46 PolarHBondContact O-N 2.87Å; N43-S46 VanDerWaalsContact O-N 3.16Å; N43-S46 VanDerWaalsContact OD1-C 3.3Å; N43-S46 VanDerWaalsContact OD1-CA 3.24Å; N43-S46 WeakPolarHBondContact OD1-CA 2.96Å; N43-S46 PolarHBondContact OD1-N 3.28Å; N43-S47 PolarHBondContact ND2-OG 2.99Å; N43-S47 PolarHBondContact OD1-N 3.12Å; N43-T48 PolarHBondContact N-O 2.9Å; N43-T48 VanDerWaalsContact N-O 3.14Å; N43-T48 PolarHBondContact OD1-N 3.12Å; N43-T48 PolarHBondContact OD1-O 3.2Å; N43-T48 VanDerWaalsContact OD1-O 3.11Å; N43-R63 VanDerWaalsContact C-NH1 3.34Å; N43-R63 WeakPolarHBondContact O-CD 3.42Å; N43-R63 PolarHBondContact O-NH1 3.08Å
44	P	97.4	Very high	96.6	Very high	37 Å²	37	59.8 Å²	59.8	24%	0.24	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.3	-47.7	179.3	-41.7	44.7	0	0	0	117.1	S21 R63 N65	S21-P44 VanDerWaalsContact O-CB 3.24Å; S21-P44 WeakPolarHBondContact O-CB 3.39Å; P44-R63 VanDerWaalsContact CA-NH1 3.26Å; P44-R63 PolarHBondContact O-NE 2.83Å; P44-N65 PolarHBondContact O-ND2 2.96Å
45	D	96.4	Very high	96.4	Very high	110 Å²	110	53 Å²	53	59%	0.588	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	3.6	-174.6	66.5	8.8	0	0	0	113.4	N43 S47	N43-D45 VanDerWaalsContact C-N 3.34Å; N43-D45 VanDerWaalsContact CG-OD1 3.24Å; N43-D45 PolarHBondContact ND2-OD1 3.16Å; N43-D45 PolarHBondContact O-N 2.87Å; N43-D45 PolarHBondContact OD1-OD1 2.9Å; D45-S47 PolarHBondContact O-N 3.03Å; D45-S47 VanDerWaalsContact OD1-CB 3.24Å; D45-S47 WeakPolarHBondContact OD1-CB 3.37Å; D45-S47 PolarHBondContact OD1-N 2.9Å; D45-S47 PolarHBondContact OD1-OG 3.18Å; D45-S47 PolarHBondContact OD2-OG 3.47Å
46	S	97.3	Very high	96.1	Very high	53 Å²	53	56.6 Å²	56.6	37%	0.371	31%	0.312	S	S	.	.	S	Bend	trans	62.3	11.6	-177.8	-46.8	0	0	0	0	115.5	N43 T48 R63	N43-S46 PolarHBondContact O-N 2.87Å; N43-S46 VanDerWaalsContact O-N 3.16Å; N43-S46 VanDerWaalsContact OD1-C 3.3Å; N43-S46 VanDerWaalsContact OD1-CA 3.24Å; N43-S46 WeakPolarHBondContact OD1-CA 2.96Å; N43-S46 PolarHBondContact OD1-N 3.28Å; S46-T48 VanDerWaalsContact C-N 3.29Å; S46-T48 PolarHBondContact O-N 2.84Å; S46-R63 WeakPolarHBondContact OG-CD 3.46Å; S46-R63 VanDerWaalsContact OG-CG 3.23Å; S46-R63 WeakPolarHBondContact OG-CG 3.39Å
47	S	97.6	Very high	95.9	Very high	84 Å²	84	58.3 Å²	58.3	59%	0.587	32%	0.322	S	S	*	.	S	Bend	trans	-72.4	-23.2	177.2	62.9	0	0	0	0	113.1	N43 D45	N43-S47 PolarHBondContact ND2-OG 2.99Å; N43-S47 PolarHBondContact OD1-N 3.12Å; D45-S47 PolarHBondContact O-N 3.03Å; D45-S47 VanDerWaalsContact OD1-CB 3.24Å; D45-S47 WeakPolarHBondContact OD1-CB 3.37Å; D45-S47 PolarHBondContact OD1-N 2.9Å; D45-S47 PolarHBondContact OD1-OG 3.18Å; D45-S47 PolarHBondContact OD2-OG 3.47Å
48	T	97.8	Very high	95.7	Very high	58 Å²	58	58.1 Å²	58.1	36%	0.356	32%	0.32	S	S	.	.			trans	-127.9	130.8	-179.3	-56.3	0	0	0	0	110.7	W24 N43 S46	W24-T48 HydrophobicContact CH2-CG2 3.97Å; N43-T48 PolarHBondContact N-O 2.9Å; N43-T48 VanDerWaalsContact N-O 3.14Å; N43-T48 PolarHBondContact OD1-N 3.12Å; N43-T48 PolarHBondContact OD1-O 3.2Å; N43-T48 VanDerWaalsContact OD1-O 3.11Å; S46-T48 VanDerWaalsContact C-N 3.29Å; S46-T48 PolarHBondContact O-N 2.84Å
49	I	97.8	Very high	95.5	Very high	63 Å²	63	54.2 Å²	54.2	32%	0.323	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	121.1	172.6	-45.8	179.1	0	0	0	108.7	E41 I42 Y51 I61	E41-I49 VanDerWaalsContact O-CA 3.29Å; E41-I49 WeakPolarHBondContact O-CA 3.01Å; E41-I49 VanDerWaalsContact O-CG2 3.24Å; E41-I49 WeakPolarHBondContact O-CG2 3.36Å; I42-I49 HydrophobicContact CB-CG1 4.39Å; I42-I49 HydrophobicContact CD1-CD1 3.87Å; I42-I49 HydrophobicContact CD1-CG1 3.96Å; I42-I49 HydrophobicContact CG1-CD1 4.44Å; I42-I49 HydrophobicContact CG1-CG1 3.97Å; I49-Y51 HydrophobicContact CB-CE2 3.95Å; I49-Y51 HydrophobicContact CG2-CD2 4Å; I49-Y51 HydrophobicContact CG2-CE1 4.4Å; I49-Y51 HydrophobicContact CG2-CE2 3.26Å; I49-I61 HydrophobicContact CG2-CB 4.26Å
50	N	97.3	Very high	95.5	Very high	67 Å²	67	58.4 Å²	58.4	36%	0.358	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	146.3	174.9	-59.6	-42.6	0	0	0	109.5	W38 G40 E41	W38-N50 HydrophobicContact CH2-CB 3.8Å; W38-N50 HydrophobicContact CZ2-CB 4.44Å; G40-N50 CarbonylContact C-O 3.56Å; G40-N50 WeakPolarHBondContact CA-O 3.44Å; E41-N50 HydrophobicContact CG-CB 4.1Å; E41-N50 PolarHBondContact N-O 2.87Å; E41-N50 PolarHBondContact O-N 2.79Å; E41-N50 PolarHBondContact OE1-ND2 3.14Å; E41-N50 VanDerWaalsContact OE1-ND2 3.12Å
51	Y	97.4	Very high	95.5	Very high	45 Å²	45	58.5 Å²	58.5	18%	0.176	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.5	179.5	-70.2	-87.6	0	0	0	110.8	W38 I39 I49 K56 F59 I61	W38-Y51 VanDerWaalsContact CZ3-C 3.49Å; I39-Y51 WeakPolarHBondContact O-CA 3.32Å; I49-Y51 HydrophobicContact CB-CE2 3.95Å; I49-Y51 HydrophobicContact CG2-CD2 4Å; I49-Y51 HydrophobicContact CG2-CE1 4.4Å; I49-Y51 HydrophobicContact CG2-CE2 3.26Å; Y51-K56 HydrophobicContact CD2-CG 3.98Å; Y51-K56 HydrophobicContact CG-CB 4.2Å; Y51-K56 HydrophobicContact CG-CG 4.12Å; Y51-F59 VanDerWaalsContact CE1-O 3.32Å; Y51-F59 WeakPolarHBondContact CE1-O 3.38Å; Y51-I61 HydrophobicContact CD1-CD1 4.3Å; Y51-I61 HydrophobicContact CE1-CB 4.49Å; Y51-I61 HydrophobicContact CE1-CD1 3.77Å; Y51-I61 HydrophobicContact CE1-CG1 3.8Å; Y51-I61 PolarHBondContact OH-N 2.83Å
52	T	95.9	Very high	95.6	Very high	30 Å²	30	59.4 Å²	59.4	18%	0.184	34%	0.336	C	S	.	.			trans	-63	126	157.6	-68.9	0	0	0	0	108.5	W38 I39 S54 L55 K56	W38-T52 VanDerWaalsContact CE3-OG1 3.28Å; W38-T52 WeakPolarHBondContact O-CB 3.45Å; W38-T52 PolarHBondContact O-OG1 3.47Å; I39-T52 PolarHBondContact O-N 3.05Å; T52-S54 VanDerWaalsContact C-N 3.26Å; T52-S54 WeakPolarHBondContact CG2-OG 3.24Å; T52-S54 PolarHBondContact O-N 2.84Å; T52-S54 VanDerWaalsContact O-N 3.12Å; T52-L55 HydrophobicContact CG2-CD1 4.31Å; T52-L55 HydrophobicContact CG2-CG 4.16Å; T52-L55 PolarHBondContact O-N 3.02Å; T52-K56 PolarHBondContact O-N 2.8Å
53	P	94.3	Very high	95.6	Very high	117 Å²	117	60.4 Å²	60.4	76%	0.76	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-38.9	-172.2	-30.9	35.9	0	0	0	114.7	L55	P53-L55 PolarHBondContact O-N 2.81Å
54	S	91.1	Very high	95.6	Very high	85 Å²	85	61.6 Å²	61.6	59%	0.594	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-12.8	179.2	55.7	0	0	0	0	114.6	T52	T52-S54 VanDerWaalsContact C-N 3.26Å; T52-S54 WeakPolarHBondContact CG2-OG 3.24Å; T52-S54 PolarHBondContact O-N 2.84Å; T52-S54 VanDerWaalsContact O-N 3.12Å
55	L	91	Very high	95.6	Very high	5 Å²	5	62.7 Å²	62.7	3%	0.026	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-12.9	-174.1	-57	-175.2	0	0	0	113.1	R29 E37 I39 T52 P53 D57 K58 F59	R29-L55 VanDerWaalsContact NH2-CD2 3.31Å; E37-L55 HydrophobicContact CG-CD1 4.3Å; I39-L55 HydrophobicContact CB-CD1 4.45Å; I39-L55 HydrophobicContact CG1-CD1 4.09Å; T52-L55 HydrophobicContact CG2-CD1 4.31Å; T52-L55 HydrophobicContact CG2-CG 4.16Å; T52-L55 PolarHBondContact O-N 3.02Å; P53-L55 PolarHBondContact O-N 2.81Å; L55-D57 VanDerWaalsContact C-N 3.27Å; L55-D57 PolarHBondContact O-N 2.72Å; L55-K58 PolarHBondContact O-N 3.21Å; L55-F59 HydrophobicContact CB-CD2 3.89Å; L55-F59 HydrophobicContact CB-CE2 4.17Å; L55-F59 HydrophobicContact CD2-CE2 4.11Å; L55-F59 HydrophobicContact CG-CE2 4.48Å; L55-F59 WeakPolarHBondContact O-CD2 3.28Å; L55-F59 PolarHBondContact O-N 3.11Å
56	K	90	Very high	95.7	Very high	130 Å²	130	62.1 Å²	62.1	57%	0.565	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-38.9	-174.6	-176.5	-179.2	175.9	-175.8	0	113.9	Y51 T52 K58	Y51-K56 HydrophobicContact CD2-CG 3.98Å; Y51-K56 HydrophobicContact CG-CB 4.2Å; Y51-K56 HydrophobicContact CG-CG 4.12Å; T52-K56 PolarHBondContact O-N 2.8Å; K56-K58 VanDerWaalsContact C-N 3.32Å
57	D	90.6	Very high	95.7	Very high	156 Å²	156	65.6 Å²	65.6	83%	0.834	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-6.4	-175.9	-58.9	-34	0	0	0	113.5	L55	L55-D57 VanDerWaalsContact C-N 3.27Å; L55-D57 PolarHBondContact O-N 2.72Å
58	K	91.7	Very high	95.7	Very high	58 Å²	58	64.5 Å²	64.5	25%	0.252	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-32.3	-177.4	-66.7	-174.4	169.7	-170	0	113.3	L55 K56 E80 D81	L55-K58 PolarHBondContact O-N 3.21Å; K56-K58 VanDerWaalsContact C-N 3.32Å; K58-E80 IonicContact NZ-OE1 3.28Å; K58-E80 PolarHBondContact NZ-OE1 3.01Å; K58-D81 IonicContact NZ-OD1 2.66Å
59	F	94.6	Very high	95.7	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.009	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.5	-171.3	-62.7	-84.5	0	0	0	111.2	I39 Y51 L55 L72 Q73 M74 Y85	I39-F59 HydrophobicContact CG2-CB 3.99Å; I39-F59 HydrophobicContact CG2-CD2 4.03Å; I39-F59 HydrophobicContact CG2-CG 3.93Å; Y51-F59 VanDerWaalsContact CE1-O 3.32Å; Y51-F59 WeakPolarHBondContact CE1-O 3.38Å; L55-F59 HydrophobicContact CB-CD2 3.89Å; L55-F59 HydrophobicContact CB-CE2 4.17Å; L55-F59 HydrophobicContact CD2-CE2 4.11Å; L55-F59 HydrophobicContact CG-CE2 4.48Å; L55-F59 WeakPolarHBondContact O-CD2 3.28Å; L55-F59 PolarHBondContact O-N 3.11Å; F59-L72 HydrophobicContact CB-CD1 3.87Å; F59-L72 HydrophobicContact CD1-CD1 3.93Å; F59-L72 HydrophobicContact CD1-CD2 3.75Å; F59-L72 HydrophobicContact CD1-CG 3.84Å; F59-L72 HydrophobicContact CE1-CD2 4.1Å; F59-L72 HydrophobicContact CG-CD1 4.27Å; F59-Q73 CarbonylContact C-O 3.58Å; F59-Q73 WeakPolarHBondContact CA-O 3.4Å; F59-M74 HydrophobicContact CD1-CG 3.38Å; F59-M74 HydrophobicContact CD1-SD 4.25Å; F59-M74 HydrophobicContact CE1-CG 3.3Å; F59-M74 HydrophobicContact CE1-SD 3.64Å; F59-M74 HydrophobicContact CZ-CG 4.41Å; F59-Y85 AromaticContact CE1-CE1 3.78Å; F59-Y85 HydrophobicContact CE1-CE1 3.78Å; F59-Y85 HydrophobicContact CZ-CE1 4.24Å
60	I	96.7	Very high	95.8	Very high	88 Å²	88	59.4 Å²	59.4	45%	0.451	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	113.9	172.7	-57.4	173.7	0	0	0	108.1	Q73	I60-Q73 HydrophobicContact CB-CB 4.21Å; I60-Q73 PolarHBondContact N-O 3.48Å; I60-Q73 PolarHBondContact O-N 3.01Å
61	I	98	Very high	95.8	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.015	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	134.8	174.2	-58.7	173.1	0	0	0	108.8	I42 I49 Y51 L70 L72	I42-I61 HydrophobicContact CB-CG2 3.88Å; I42-I61 HydrophobicContact CD1-CG2 4.49Å; I42-I61 HydrophobicContact CG2-CG2 3.62Å; I49-I61 HydrophobicContact CG2-CB 4.26Å; Y51-I61 HydrophobicContact CD1-CD1 4.3Å; Y51-I61 HydrophobicContact CE1-CB 4.49Å; Y51-I61 HydrophobicContact CE1-CD1 3.77Å; Y51-I61 HydrophobicContact CE1-CG1 3.8Å; Y51-I61 PolarHBondContact OH-N 2.83Å; I61-L70 HydrophobicContact CG2-CD1 4.03Å; I61-L72 HydrophobicContact CG1-CD1 3.69Å
62	S	98.3	Very high	95.9	Very high	40 Å²	40	56.1 Å²	56.1	28%	0.28	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	161.9	171.5	51.9	0	0	0	0	110.3	Y71	S62-Y71 PolarHBondContact N-O 2.87Å; S62-Y71 VanDerWaalsContact N-O 3.11Å; S62-Y71 PolarHBondContact O-N 2.85Å
63	R	98.4	Very high	95.9	Very high	24 Å²	24	58.2 Å²	58.2	9%	0.091	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	153.3	-178.9	64	-175.5	-67.7	159.3	3.2	111.4	F20 Y23 I42 N43 P44 S46 N65 T69 L70	F20-R63 HydrophobicContact CE1-CB 4.14Å; F20-R63 VanDerWaalsContact CE1-NH2 3.32Å; F20-R63 HydrophobicContact CZ-CB 4.14Å; F20-R63 PolarHBondContact O-NH2 2.78Å; Y23-R63 PolarHBondContact O-NH1 3Å; I42-R63 HydrophobicContact CD1-CG 3.97Å; I42-R63 HydrophobicContact CG1-CG 4.4Å; I42-R63 HydrophobicContact CG2-CB 4.47Å; N43-R63 VanDerWaalsContact C-NH1 3.34Å; N43-R63 WeakPolarHBondContact O-CD 3.42Å; N43-R63 PolarHBondContact O-NH1 3.08Å; P44-R63 VanDerWaalsContact CA-NH1 3.26Å; P44-R63 PolarHBondContact O-NE 2.83Å; S46-R63 WeakPolarHBondContact OG-CD 3.46Å; S46-R63 VanDerWaalsContact OG-CG 3.23Å; S46-R63 WeakPolarHBondContact OG-CG 3.39Å; R63-N65 PolarHBondContact NE-OD1 2.9Å; R63-N65 PolarHBondContact NH2-OD1 2.9Å; R63-T69 CarbonylContact C-O 3.51Å; R63-T69 WeakPolarHBondContact CA-O 3.29Å; R63-L70 HydrophobicContact CB-CD1 4.1Å
64	D	98.2	Very high	95.9	Very high	39 Å²	39	53 Å²	53	21%	0.209	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	106.6	171.3	-177.2	-24.4	0	0	0	108.2	A66 K67 N68 T69 Y71	D64-A66 WeakPolarHBondContact OD1-CB 3.48Å; D64-A66 PolarHBondContact OD1-N 2.99Å; D64-K67 HydrophobicContact CB-CB 4.18Å; D64-K67 CarbonylContact O-C 3.59Å; D64-K67 PolarHBondContact O-N 3.03Å; D64-K67 PolarHBondContact OD1-N 3.11Å; D64-K67 WeakPolarHBondContact OD2-CD 3.32Å; D64-K67 VanDerWaalsContact OD2-CG 3.32Å; D64-K67 WeakPolarHBondContact OD2-CG 3.23Å; D64-K67 IonicContact OD2-NZ 2.74Å; D64-K67 PolarHBondContact OD2-NZ 3.12Å; D64-N68 PolarHBondContact O-N 3.18Å; D64-T69 PolarHBondContact N-O 2.81Å; D64-T69 PolarHBondContact O-N 2.76Å; D64-Y71 HydrophobicContact CB-CE2 3.9Å
65	N	97.9	Very high	95.8	Very high	59 Å²	59	51.8 Å²	51.8	32%	0.316	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-29.8	-177.7	-71.4	-16.8	0	0	0	112.3	F20 P44 R63 K67 N68	F20-N65 WeakPolarHBondContact CD1-OD1 3.42Å; F20-N65 WeakPolarHBondContact CE1-OD1 3.43Å; P44-N65 PolarHBondContact O-ND2 2.96Å; R63-N65 PolarHBondContact NE-OD1 2.9Å; R63-N65 PolarHBondContact NH2-OD1 2.9Å; N65-K67 VanDerWaalsContact C-N 3.27Å; N65-K67 PolarHBondContact O-N 3Å; N65-N68 PolarHBondContact O-N 3.35Å; N65-N68 PolarHBondContact O-OD1 3.14Å
66	A	97.3	Very high	95.7	Very high	98 Å²	98	56.7 Å²	56.7	81%	0.81	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-29.6	176.7	0	0	0	0	0	111.5	D64	D64-A66 WeakPolarHBondContact OD1-CB 3.48Å; D64-A66 PolarHBondContact OD1-N 2.99Å
67	K	97.9	Very high	95.8	Very high	127 Å²	127	51.3 Å²	51.3	55%	0.552	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	1.5	176.4	-61.4	-166.6	-171.1	91.4	0	114.5	D64 N65 T69	D64-K67 HydrophobicContact CB-CB 4.18Å; D64-K67 CarbonylContact O-C 3.59Å; D64-K67 PolarHBondContact O-N 3.03Å; D64-K67 PolarHBondContact OD1-N 3.11Å; D64-K67 WeakPolarHBondContact OD2-CD 3.32Å; D64-K67 VanDerWaalsContact OD2-CG 3.32Å; D64-K67 WeakPolarHBondContact OD2-CG 3.23Å; D64-K67 IonicContact OD2-NZ 2.74Å; D64-K67 PolarHBondContact OD2-NZ 3.12Å; N65-K67 VanDerWaalsContact C-N 3.27Å; N65-K67 PolarHBondContact O-N 3Å; K67-T69 PolarHBondContact O-N 3.11Å; K67-T69 VanDerWaalsContact O-N 3.11Å; K67-T69 PolarHBondContact O-OG1 2.8Å
68	N	97.9	Very high	95.8	Very high	61 Å²	61	50.1 Å²	50.1	33%	0.326	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	39	-171.4	-62	-36.6	0	0	0	113	A15 F20 D64 N65	A15-N68 PolarHBondContact N-O 2.81Å; F20-N68 HydrophobicContact CB-CB 3.94Å; F20-N68 WeakPolarHBondContact CB-OD1 3.24Å; F20-N68 HydrophobicContact CG-CB 4.21Å; D64-N68 PolarHBondContact O-N 3.18Å; N65-N68 PolarHBondContact O-N 3.35Å; N65-N68 PolarHBondContact O-OD1 3.14Å
69	T	98.5	Very high	95.7	Very high	14 Å²	14	52.1 Å²	52.1	9%	0.086	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.3	-170	-59.1	0	0	0	0	111.7	C13 R63 D64 K67 Y71	C13-T69 CarbonylContact O-C 3.57Å; C13-T69 VanDerWaalsContact O-CA 3.32Å; C13-T69 WeakPolarHBondContact O-CA 3.37Å; R63-T69 CarbonylContact C-O 3.51Å; R63-T69 WeakPolarHBondContact CA-O 3.29Å; D64-T69 PolarHBondContact N-O 2.81Å; D64-T69 PolarHBondContact O-N 2.76Å; K67-T69 PolarHBondContact O-N 3.11Å; K67-T69 VanDerWaalsContact O-N 3.11Å; K67-T69 PolarHBondContact O-OG1 2.8Å; T69-Y71 HydrophobicContact CG2-CD1 4.1Å; T69-Y71 HydrophobicContact CG2-CD2 4.48Å; T69-Y71 HydrophobicContact CG2-CE1 3.48Å; T69-Y71 VanDerWaalsContact CG2-CE1 3.48Å; T69-Y71 HydrophobicContact CG2-CE2 3.92Å
70	L	98.7	Very high	95.5	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	141.2	170.4	-171.5	71.1	0	0	0	109.9	S12 C13 F20 M25 W27 I42 I61 R63 C87	S12-L70 CarbonylContact C-O 3.52Å; S12-L70 WeakPolarHBondContact CA-O 3.21Å; C13-L70 HydrophobicContact CB-CB 4.39Å; C13-L70 PolarHBondContact N-O 2.76Å; C13-L70 PolarHBondContact O-N 2.81Å; F20-L70 HydrophobicContact CE2-CB 4.22Å; F20-L70 HydrophobicContact CZ-CB 4.1Å; M25-L70 HydrophobicContact CB-CD1 3.8Å; M25-L70 HydrophobicContact CB-CD2 3.93Å; M25-L70 HydrophobicContact CB-CG 4.38Å; W27-L70 HydrophobicContact CD2-CD2 4.25Å; W27-L70 HydrophobicContact CG-CD2 4.23Å; W27-L70 HydrophobicContact CZ2-CD2 4.21Å; W27-L70 HydrophobicContact CZ2-CG 4.28Å; W27-L70 VanDerWaalsContact NE1-CG 3.33Å; I42-L70 HydrophobicContact CG2-CD1 3.55Å; I61-L70 HydrophobicContact CG2-CD1 4.03Å; R63-L70 HydrophobicContact CB-CD1 4.1Å; L70-C87 HydrophobicContact CD2-CB 4Å
71	Y	98.4	Very high	95.2	Very high	43 Å²	43	53.4 Å²	53.4	17%	0.169	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	147.4	178.8	-56.6	-77.6	0	0	0	111.7	K10 L11 W27 S62 D64 T69	K10-Y71 HydrophobicContact CD-CD1 4.49Å; K10-Y71 VanDerWaalsContact CE-CD1 3.45Å; L11-Y71 VanDerWaalsContact O-CA 3.24Å; L11-Y71 WeakPolarHBondContact O-CA 3.42Å; W27-Y71 PolarHBondContact NE1-O 2.81Å; S62-Y71 PolarHBondContact N-O 2.87Å; S62-Y71 VanDerWaalsContact N-O 3.11Å; S62-Y71 PolarHBondContact O-N 2.85Å; D64-Y71 HydrophobicContact CB-CE2 3.9Å; T69-Y71 HydrophobicContact CG2-CD1 4.1Å; T69-Y71 HydrophobicContact CG2-CD2 4.48Å; T69-Y71 HydrophobicContact CG2-CE1 3.48Å; T69-Y71 VanDerWaalsContact CG2-CE1 3.48Å; T69-Y71 HydrophobicContact CG2-CE2 3.92Å
72	L	98	Very high	95	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	112.8	168.9	-170.9	69.6	0	0	0	108.4	K10 L11 W27 I39 F59 I61 Y85	K10-L72 CarbonylContact C-O 3.59Å; K10-L72 WeakPolarHBondContact CA-O 3.25Å; L11-L72 HydrophobicContact CB-CB 4.31Å; L11-L72 HydrophobicContact CD1-CD2 4.34Å; L11-L72 PolarHBondContact N-O 3.11Å; L11-L72 PolarHBondContact O-N 2.83Å; W27-L72 HydrophobicContact CB-CD1 4.34Å; W27-L72 HydrophobicContact CB-CD2 4.46Å; W27-L72 HydrophobicContact CD2-CB 3.88Å; W27-L72 HydrophobicContact CD2-CD2 4.07Å; W27-L72 HydrophobicContact CD2-CG 4.4Å; W27-L72 HydrophobicContact CE3-CB 4.48Å; W27-L72 HydrophobicContact CE3-CD2 4.23Å; W27-L72 HydrophobicContact CG-CB 4.2Å; W27-L72 HydrophobicContact CG-CD1 3.98Å; W27-L72 HydrophobicContact CG-CD2 4.18Å; W27-L72 HydrophobicContact CG-CG 4.37Å; W27-L72 HydrophobicContact CH2-CB 4.48Å; W27-L72 HydrophobicContact CZ2-CB 3.87Å; I39-L72 HydrophobicContact CD1-CD2 3.97Å; I39-L72 HydrophobicContact CG2-CD1 4.34Å; F59-L72 HydrophobicContact CB-CD1 3.87Å; F59-L72 HydrophobicContact CD1-CD1 3.93Å; F59-L72 HydrophobicContact CD1-CD2 3.75Å; F59-L72 HydrophobicContact CD1-CG 3.84Å; F59-L72 HydrophobicContact CE1-CD2 4.1Å; F59-L72 HydrophobicContact CG-CD1 4.27Å; I61-L72 HydrophobicContact CG1-CD1 3.69Å; L72-Y85 HydrophobicContact CD2-CD1 3.64Å; L72-Y85 HydrophobicContact CD2-CE1 3.89Å
73	Q	96.6	Very high	94.9	Very high	73 Å²	73	56.9 Å²	56.9	34%	0.341	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	129.5	174.4	173.9	168.5	-11.2	0	0	109.9	F59 I60	F59-Q73 CarbonylContact C-O 3.58Å; F59-Q73 WeakPolarHBondContact CA-O 3.4Å; I60-Q73 HydrophobicContact CB-CB 4.21Å; I60-Q73 PolarHBondContact N-O 3.48Å; I60-Q73 PolarHBondContact O-N 3.01Å
74	M	93.8	Very high	94.8	Very high	7 Å²	7	60.7 Å²	60.7	3%	0.034	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129	177.7	-69.6	166.1	-82.5	0	0	109	S8 L9 L11 F59 V77 Y85	S8-M74 VanDerWaalsContact CA-O 3.28Å; S8-M74 WeakPolarHBondContact CA-O 3.36Å; S8-M74 WeakPolarHBondContact CB-O 3.48Å; L9-M74 HydrophobicContact CB-CE 3.91Å; L9-M74 HydrophobicContact CD2-CE 3.69Å; L9-M74 HydrophobicContact CG-CE 3.74Å; L9-M74 PolarHBondContact N-O 3.47Å; L9-M74 PolarHBondContact O-N 2.91Å; L11-M74 HydrophobicContact CD1-CE 3.68Å; L11-M74 HydrophobicContact CD2-CE 4.2Å; L11-M74 HydrophobicContact CG-CE 3.52Å; F59-M74 HydrophobicContact CD1-CG 3.38Å; F59-M74 HydrophobicContact CD1-SD 4.25Å; F59-M74 HydrophobicContact CE1-CG 3.3Å; F59-M74 HydrophobicContact CE1-SD 3.64Å; F59-M74 HydrophobicContact CZ-CG 4.41Å; M74-V77 HydrophobicContact CB-CG2 3.85Å; M74-Y85 HydrophobicContact SD-CE1 4.28Å
75	S	88.8	Confident	94.8	Very high	60 Å²	60	61.1 Å²	61.1	42%	0.42	33%	0.331	S	S	.	.	S	Bend	trans	-110	137.9	175.2	-63.4	0	0	0	0	109.5
76	I	89.2	Confident	94.8	Very high	109 Å²	109	62.7 Å²	62.7	56%	0.559	33%	0.334	S	S	*	.	S	Bend	trans	56.4	60.6	177.7	-45.1	176.1	0	0	0	110.7	G7 R78	G7-I76 WeakPolarHBondContact O-CA 3.24Å; G7-I76 PolarHBondContact O-N 3.26Å; G7-I76 VanDerWaalsContact O-N 3.16Å; I76-R78 PolarHBondContact O-N 3.15Å
77	V	91.5	Very high	94.8	Very high	17 Å²	17	60.1 Å²	60.1	10%	0.103	31%	0.309	C	S	.	.			trans	-60.2	131.9	-178.8	176.5	0	0	0	0	110.3	V3 P5 G6 G7 L9 M74 D81	V3-V77 HydrophobicContact CG1-CB 3.71Å; V3-V77 HydrophobicContact CG1-CG1 3.6Å; V3-V77 HydrophobicContact CG1-CG2 3.89Å; P5-V77 CarbonylContact C-O 3.58Å; P5-V77 VanDerWaalsContact CA-O 3.3Å; P5-V77 WeakPolarHBondContact CA-O 3.42Å; G6-V77 PolarHBondContact N-O 3.07Å; G7-V77 PolarHBondContact O-N 3.16Å; L9-V77 HydrophobicContact CB-CG2 4.22Å; M74-V77 HydrophobicContact CB-CG2 3.85Å; V77-D81 HydrophobicContact CG1-CB 4.35Å
78	R	91.1	Very high	94.7	Very high	130 Å²	130	56.6 Å²	56.6	49%	0.491	30%	0.298	S	S	.	.			trans	-116.3	168	178	-64.7	170	-176	-179.2	0.2	110.8	I76 E80 D81	I76-R78 PolarHBondContact O-N 3.15Å; R78-E80 HydrophobicContact CB-CG 3.63Å; R78-E80 WeakPolarHBondContact CD-OE1 3.43Å; R78-E80 IonicContact NH1-OE1 2.71Å; R78-E80 PolarHBondContact NH1-OE1 2.74Å; R78-E80 PolarHBondContact O-N 2.96Å; R78-D81 PolarHBondContact N-OD2 3.24Å; R78-D81 WeakPolarHBondContact O-CB 3.24Å; R78-D81 PolarHBondContact O-N 3.14Å
79	S	89.9	Confident	94.6	Very high	100 Å²	100	58.3 Å²	58.3	70%	0.699	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-56.5	-35.9	175.4	52.5	0	0	0	0	112.5	D81 T82	S79-D81 PolarHBondContact O-N 3Å; S79-T82 VanDerWaalsContact O-CB 3.25Å; S79-T82 WeakPolarHBondContact O-CB 3.36Å; S79-T82 PolarHBondContact O-N 3.11Å; S79-T82 VanDerWaalsContact O-N 3.09Å; S79-T82 PolarHBondContact O-OG1 3.39Å
80	E	89.7	Confident	94.1	Very high	104 Å²	104	60 Å²	60	49%	0.486	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-62.3	-18.9	175.7	57.1	-178.3	-167.3	0	0	114.5	K58 R78 T82	K58-E80 IonicContact NZ-OE1 3.28Å; K58-E80 PolarHBondContact NZ-OE1 3.01Å; R78-E80 HydrophobicContact CB-CG 3.63Å; R78-E80 WeakPolarHBondContact CD-OE1 3.43Å; R78-E80 IonicContact NH1-OE1 2.71Å; R78-E80 PolarHBondContact NH1-OE1 2.74Å; R78-E80 PolarHBondContact O-N 2.96Å; E80-T82 VanDerWaalsContact C-N 3.29Å
81	D	91.9	Very high	92.8	Very high	13 Å²	13	64.5 Å²	64.5	7%	0.07	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-89.2	2.3	177.8	-54.6	-50.1	0	0	0	112.2	R29 K58 V77 R78 S79 A83 Y85	R29-D81 IonicContact NH1-OD1 3.77Å; R29-D81 PolarHBondContact NH1-OD1 3.49Å; K58-D81 IonicContact NZ-OD1 2.66Å; V77-D81 HydrophobicContact CG1-CB 4.35Å; R78-D81 PolarHBondContact N-OD2 3.24Å; R78-D81 WeakPolarHBondContact O-CB 3.24Å; R78-D81 PolarHBondContact O-N 3.14Å; S79-D81 PolarHBondContact O-N 3Å; D81-A83 PolarHBondContact O-N 3.03Å; D81-A83 VanDerWaalsContact O-N 3.11Å; D81-Y85 WeakPolarHBondContact O-CE2 3.42Å; D81-Y85 PolarHBondContact O-OH 3.38Å
82	T	93.8	Very high	90.8	Very high	93 Å²	93	73.1 Å²	73.1	57%	0.571	37%	0.366	S	S	*	.			trans	-68.7	107.6	175	-54.6	0	0	0	0	110.1	P32 S79 E80	P32-T82 WeakPolarHBondContact CD-O 3.43Å; S79-T82 VanDerWaalsContact O-CB 3.25Å; S79-T82 WeakPolarHBondContact O-CB 3.36Å; S79-T82 PolarHBondContact O-N 3.11Å; S79-T82 VanDerWaalsContact O-N 3.09Å; S79-T82 PolarHBondContact O-OG1 3.39Å; E80-T82 VanDerWaalsContact C-N 3.29Å
83	A	95.6	Very high	90.5	Very high	24 Å²	24	76.8 Å²	76.8	20%	0.198	39%	0.385	C	S	.	.	S	Bend	trans	-157	165.5	-178.4	0	0	0	0	0	110.8	R29 Q30 A31 D81 Y85	R29-A83 HydrophobicContact CB-CB 3.93Å; R29-A83 HydrophobicContact CG-CB 4.44Å; Q30-A83 WeakPolarHBondContact O-CA 3.4Å; Q30-A83 WeakPolarHBondContact O-CB 3.39Å; A31-A83 HydrophobicContact CB-CB 4.34Å; D81-A83 PolarHBondContact O-N 3.03Å; D81-A83 VanDerWaalsContact O-N 3.11Å; A83-Y85 HydrophobicContact CB-CD2 4.36Å; A83-Y85 HydrophobicContact CB-CE2 3.85Å; A83-Y85 VanDerWaalsContact O-CD2 3.25Å; A83-Y85 WeakPolarHBondContact O-CD2 3.46Å; A83-Y85 WeakPolarHBondContact O-CE2 3.23Å
84	L	97	Very high	90.1	Very high	104 Å²	104	76.9 Å²	76.9	55%	0.545	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	135.1	158.8	-65.4	174.6	0	0	0	108.6	R29 Q30 Y86	R29-L84 CarbonylContact C-O 3.58Å; R29-L84 WeakPolarHBondContact CA-O 3.24Å; Q30-L84 PolarHBondContact N-O 3.41Å; Q30-L84 PolarHBondContact O-N 3.46Å; L84-Y86 HydrophobicContact CB-CE2 3.79Å; L84-Y86 VanDerWaalsContact CD1-OH 3.24Å; L84-Y86 WeakPolarHBondContact CD1-OH 3.47Å
85	Y	97.4	Very high	89.9	Confident	47 Å²	47	80.8 Å²	80.8	18%	0.184	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.1	-179	-71.4	-98.1	0	0	0	109.5	L11 R29 I39 F59 L72 M74 D81 A83	L11-Y85 HydrophobicContact CD1-CD1 4.06Å; L11-Y85 HydrophobicContact CD1-CD2 4.07Å; L11-Y85 HydrophobicContact CD1-CG 3.64Å; R29-Y85 HydrophobicContact CB-CD1 3.86Å; R29-Y85 HydrophobicContact CB-CE1 3.84Å; R29-Y85 HydrophobicContact CB-CG 4.34Å; I39-Y85 HydrophobicContact CD1-CD1 3.75Å; I39-Y85 HydrophobicContact CD1-CE1 3.69Å; F59-Y85 AromaticContact CE1-CE1 3.78Å; F59-Y85 HydrophobicContact CE1-CE1 3.78Å; F59-Y85 HydrophobicContact CZ-CE1 4.24Å; L72-Y85 HydrophobicContact CD2-CD1 3.64Å; L72-Y85 HydrophobicContact CD2-CE1 3.89Å; M74-Y85 HydrophobicContact SD-CE1 4.28Å; D81-Y85 WeakPolarHBondContact O-CE2 3.42Å; D81-Y85 PolarHBondContact O-OH 3.38Å; A83-Y85 HydrophobicContact CB-CD2 4.36Å; A83-Y85 HydrophobicContact CB-CE2 3.85Å; A83-Y85 VanDerWaalsContact O-CD2 3.25Å; A83-Y85 WeakPolarHBondContact O-CD2 3.46Å; A83-Y85 WeakPolarHBondContact O-CE2 3.23Å
86	Y	97.7	Very high	90	Very high	93 Å²	93	82.1 Å²	82.1	37%	0.365	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.3	-176.7	-52.4	-81.9	0	0	0	109.5	W27 V28 Q30 L36 L84	W27-Y86 WeakPolarHBondContact CA-O 3.32Å; W27-Y86 VanDerWaalsContact CE3-O 3.3Å; V28-Y86 PolarHBondContact N-O 2.98Å; V28-Y86 PolarHBondContact O-N 3.04Å; Q30-Y86 HydrophobicContact CB-CE2 3.98Å; Q30-Y86 PolarHBondContact OE1-OH 2.71Å; L36-Y86 HydrophobicContact CD2-CD2 4.24Å; L36-Y86 HydrophobicContact CD2-CE2 4.13Å; L84-Y86 HydrophobicContact CB-CE2 3.79Å; L84-Y86 VanDerWaalsContact CD1-OH 3.24Å; L84-Y86 WeakPolarHBondContact CD1-OH 3.47Å
87	C	97.1	Very high	90	Very high	44 Å²	44	80.4 Å²	80.4	30%	0.297	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	139.5	164.6	52.6	0	0	0	0	109	C13 S26 W27 L70	C13-C87 HydrophobicContact CB-CB 3.46Å; C13-C87 VanDerWaalsContact CB-CB 3.46Å; C13-C87 WeakPolarHBondContact CB-SG 3.23Å; C13-C87 WeakPolarHBondContact SG-CB 3.25Å; C13-C87 CovalentContact SG-SG 2.01Å; C13-C87 PolarHBondContact SG-SG 2.62Å; S26-C87 CarbonylContact O-C 3.57Å; S26-C87 WeakPolarHBondContact O-CA 3.08Å; W27-C87 HydrophobicContact CE3-CB 4.38Å; W27-C87 HydrophobicContact CH2-CB 4.27Å; W27-C87 HydrophobicContact CZ2-CB 4.45Å; W27-C87 HydrophobicContact CZ3-CB 4.23Å; L70-C87 HydrophobicContact CD2-CB 4Å
88	T	96.7	Very high	89.9	Confident	52 Å²	52	84.6 Å²	84.6	32%	0.319	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	142.7	179.8	60.7	0	0	0	0	110.5	S26 V28	S26-T88 WeakPolarHBondContact CB-OG1 3.42Å; S26-T88 PolarHBondContact N-O 3.03Å; S26-T88 PolarHBondContact O-N 2.81Å; V28-T88 HydrophobicContact CG2-CG2 4.35Å
89	R	95.5	Very high	89.9	Confident	98 Å²	98	81.4 Å²	81.4	37%	0.37	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	129.6	166.8	-173.9	-176.1	80.3	-164	5.8	108.4	F18 Y23 M25 N91	F18-R89 HydrophobicContact CD2-CG 4.42Å; F18-R89 HydrophobicContact CE2-CB 4.39Å; F18-R89 VanDerWaalsContact CE2-CD 3.48Å; F18-R89 HydrophobicContact CE2-CG 3.92Å; F18-R89 HydrophobicContact CZ-CB 4.19Å; F18-R89 HydrophobicContact CZ-CG 4.22Å; Y23-R89 HydrophobicContact CD1-CG 3.91Å; Y23-R89 HydrophobicContact CD2-CG 4.36Å; Y23-R89 HydrophobicContact CG-CG 3.72Å; M25-R89 HydrophobicContact CE-CB 4.28Å; M25-R89 HydrophobicContact SD-CB 4.12Å; M25-R89 HydrophobicContact SD-CG 4.15Å; R89-N91 PolarHBondContact NE-OD1 2.94Å; R89-N91 PolarHBondContact NH2-ND2 2.6Å; R89-N91 VanDerWaalsContact NH2-ND2 3.14Å; R89-N91 PolarHBondContact NH2-OD1 3.2Å
90	L	87.5	Confident	89.8	Confident	49 Å²	49	79.9 Å²	79.9	26%	0.257	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	120.2	170.1	-139.3	94.9	0	0	0	109	W24 Y92	W24-L90 HydrophobicContact CB-CB 3.9Å; W24-L90 PolarHBondContact O-N 3.4Å; L90-Y92 HydrophobicContact CD2-CD1 4.4Å; L90-Y92 HydrophobicContact CD2-CD2 4.45Å; L90-Y92 HydrophobicContact CD2-CE1 3.71Å; L90-Y92 HydrophobicContact CD2-CE2 3.79Å; L90-Y92 WeakPolarHBondContact CD2-OH 3.24Å
91	N	70.9	Confident	89.9	Confident	95 Å²	95	77.9 Å²	77.9	51%	0.508	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-98	120.2	167.1	-60.8	-50.7	0	0	0	107.3	R89	R89-N91 PolarHBondContact NE-OD1 2.94Å; R89-N91 PolarHBondContact NH2-ND2 2.6Å; R89-N91 VanDerWaalsContact NH2-ND2 3.14Å; R89-N91 PolarHBondContact NH2-OD1 3.2Å
92	Y	57.3	Low	89.7	Confident	223 Å²	223	83.8 Å²	83.8	88%	0.875	41%	0.408	S	S	*	.			trans	-85.6	0	159.2	-63.8	-75.4	0	0	0	109.1	W24 L90	W24-Y92 AromaticContact CD1-CE2 3.82Å; W24-Y92 HydrophobicContact CG-CE2 4.16Å; L90-Y92 HydrophobicContact CD2-CD1 4.4Å; L90-Y92 HydrophobicContact CD2-CD2 4.45Å; L90-Y92 HydrophobicContact CD2-CE1 3.71Å; L90-Y92 HydrophobicContact CD2-CE2 3.79Å; L90-Y92 WeakPolarHBondContact CD2-OH 3.24Å

Retrieved 92 of 92 residues in 28.8 ms (Link to these results)

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