A0A075B5T5_MOUSE Loading...

Immunoglobulin heavy variable V1-5

AlphaFold DB , UniProt , Accession A0A075B5T5, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-5, Length 98 aa.

						>A0A075B5T5_MOUSE|A0A075B5T5|Ighv1-5
EVQLQQSGTVLARPGASVKMSCKTSGYTFTSYWMHWVKQRPGQGLEWIGAIYPGNSDTSYNQKFKGKAKLTAVTSASTAYMELSSLTNEDSAVYYCTR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	E	88.3	Confident	95.7	Very high	196 Å²	196	100.4 Å²	100.4	92%	0.916	56%	0.557	S	S	*	*				0	141.8	0	-171	179.9	172.8	0	0	108.8	Q3 G26	E1-Q3 VanDerWaalsContact CD-NE2 3.31Å; E1-Q3 PolarHBondContact OE1-NE2 3.29Å; E1-G26 WeakPolarHBondContact O-CA 3.48Å
2	V	93.5	Very high	95.7	Very high	47 Å²	47	96.5 Å²	96.5	29%	0.285	55%	0.548	S	S	.	.			trans	-87	134.9	-179.2	171.3	0	0	0	0	109.6	L4 Y27	V2-L4 HydrophobicContact CG1-CD1 3.66Å; V2-Y27 HydrophobicContact CB-CD1 4.44Å; V2-Y27 HydrophobicContact CG1-CD1 3.71Å; V2-Y27 HydrophobicContact CG1-CE1 3.9Å; V2-Y27 HydrophobicContact CG2-CD1 4.03Å; V2-Y27 HydrophobicContact CG2-CG 4.44Å
3	Q	97.2	Very high	95.7	Very high	91 Å²	91	105.2 Å²	105.2	43%	0.425	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129	136.3	-178.3	-62.1	-64.7	-23.3	0	0	110.7	E1 T24 S25	E1-Q3 VanDerWaalsContact CD-NE2 3.31Å; E1-Q3 PolarHBondContact OE1-NE2 3.29Å; Q3-T24 VanDerWaalsContact O-CA 3.31Å; Q3-T24 WeakPolarHBondContact O-CA 3.27Å; Q3-S25 PolarHBondContact N-O 3.24Å; Q3-S25 PolarHBondContact O-N 2.97Å
4	L	97.8	Very high	95.7	Very high	58 Å²	58	104.2 Å²	104.2	30%	0.304	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.6	120.4	175.8	-76.3	72.7	0	0	0	108.5	V2 K23 T24 M34 C96 R98	V2-L4 HydrophobicContact CG1-CD1 3.66Å; L4-K23 WeakPolarHBondContact CA-O 3.34Å; L4-T24 HydrophobicContact CG-CG2 4.12Å; L4-M34 HydrophobicContact CD2-CE 4.25Å; L4-M34 HydrophobicContact CD2-SD 4.26Å; L4-C96 WeakPolarHBondContact CD2-O 3.42Å; L4-R98 HydrophobicContact CD2-CB 4.43Å
5	Q	98.2	Very high	95.8	Very high	139 Å²	139	101 Å²	101	65%	0.65	57%	0.569	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-113.6	111.2	179	-175.1	175	38	0	0	109.9	C22 K23	Q5-C22 WeakPolarHBondContact O-CA 3.01Å; Q5-K23 HydrophobicContact CB-CB 4.47Å; Q5-K23 PolarHBondContact N-O 3.38Å; Q5-K23 PolarHBondContact O-N 2.81Å
6	Q	98.3	Very high	96	Very high	71 Å²	71	97.1 Å²	97.1	33%	0.332	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90	151.1	-179.3	-72.1	-173.5	-129	0	0	112.7	S21 Y94 C96	Q6-S21 CarbonylContact C-O 3.59Å; Q6-S21 VanDerWaalsContact CA-O 3.32Å; Q6-S21 WeakPolarHBondContact CA-O 3.49Å; Q6-Y94 PolarHBondContact NE2-O 3.08Å; Q6-C96 WeakPolarHBondContact CG-SG 3.5Å
7	S	96.9	Very high	96.1	Very high	40 Å²	40	95.2 Å²	95.2	28%	0.28	55%	0.548	S	S	.	.			trans	-58.7	147.8	164.1	55.1	0	0	0	0	111.2	M20 S21	S7-M20 WeakPolarHBondContact OG-CA 3.48Å; S7-S21 PolarHBondContact N-O 2.89Å; S7-S21 PolarHBondContact OG-N 3.28Å
8	G	95.6	Very high	96.2	Very high	62 Å²	62	91.3 Å²	91.3	64%	0.639	53%	0.525	S	S	*	.			trans	-68.9	178.1	179	0	0	0	0	0	114.6
9	T	96	Very high	96.3	Very high	144 Å²	144	92.8 Å²	92.8	88%	0.883	53%	0.525	S	S	*	.			trans	-58.6	137.4	178.2	-53.7	0	0	0	0	112
10	V	95.4	Very high	96.4	Very high	85 Å²	85	89 Å²	89	52%	0.515	50%	0.503	S	S	.	.			trans	-123.4	131.1	175.1	-178.4	0	0	0	0	109.6	V18	V10-V18 HydrophobicContact CB-CG2 3.83Å; V10-V18 HydrophobicContact CG1-CG2 3.74Å; V10-V18 HydrophobicContact CG2-CG2 4.02Å
11	L	95.7	Very high	96.5	Very high	171 Å²	171	86.4 Å²	86.4	90%	0.895	49%	0.49	S	S	*	.			trans	-95.6	121.4	168.2	-66.9	173.8	0	0	0	108.7
12	A	94.9	Very high	96.9	Very high	54 Å²	54	77 Å²	77	45%	0.446	45%	0.447	S	S	.	.			trans	-132.6	154.5	-179.4	0	0	0	0	0	110.5	A16 L86	A12-A16 HydrophobicContact CB-CB 4.48Å; A12-L86 HydrophobicContact CB-CD1 3.66Å
13	R	95.9	Very high	97.2	Very high	209 Å²	209	80.2 Å²	80.2	79%	0.789	46%	0.457	S	S	*	.			trans	-87.8	155	177.1	-60.4	-179.6	-175.4	-173.2	0.8	110.2	A16	R13-A16 WeakPolarHBondContact O-CB 3.29Å; R13-A16 PolarHBondContact O-N 3.27Å; R13-A16 VanDerWaalsContact O-N 3.16Å
14	P	96.5	Very high	97.2	Very high	92 Å²	92	76.1 Å²	76.1	60%	0.597	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	142.9	168.8	-26.2	35.4	0	0	0	112	A16 L86	P14-A16 PolarHBondContact O-N 2.8Å; P14-L86 CarbonylContact C-O 3.48Å; P14-L86 VanDerWaalsContact CA-O 3.28Å; P14-L86 WeakPolarHBondContact CA-O 3.36Å
15	G	97.3	Very high	97.2	Very high	56 Å²	56	76.6 Å²	76.6	58%	0.577	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-16.9	-176	0	0	0	0	0	115.1	L86	G15-L86 PolarHBondContact N-O 2.99Å
16	A	97.9	Very high	97.1	Very high	38 Å²	38	72.5 Å²	72.5	31%	0.314	44%	0.441	S	S	.	.			trans	-71.1	173.5	176	0	0	0	0	0	112	A12 R13 P14 S85 L86	A12-A16 HydrophobicContact CB-CB 4.48Å; R13-A16 WeakPolarHBondContact O-CB 3.29Å; R13-A16 PolarHBondContact O-N 3.27Å; R13-A16 VanDerWaalsContact O-N 3.16Å; P14-A16 PolarHBondContact O-N 2.8Å; A16-S85 PolarHBondContact O-N 2.88Å; A16-L86 VanDerWaalsContact O-CG 3.25Å; A16-L86 WeakPolarHBondContact O-CG 3.36Å; A16-L86 PolarHBondContact O-N 2.92Å
17	S	97.8	Very high	97	Very high	66 Å²	66	71.2 Å²	71.2	46%	0.462	43%	0.433	S	S	.	.			trans	-114	150.8	167.8	-59.3	0	0	0	0	110.3	L83 S84	S17-L83 CarbonylContact C-O 3.51Å; S17-L83 WeakPolarHBondContact CA-O 3.48Å; S17-L83 WeakPolarHBondContact CB-O 3.49Å; S17-S84 WeakPolarHBondContact OG-CA 3.14Å
18	V	97.9	Very high	96.9	Very high	24 Å²	24	73.2 Å²	73.2	15%	0.145	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	141.3	173	64.5	0	0	0	0	110	V10 M20 E82 L83 L86	V10-V18 HydrophobicContact CB-CG2 3.83Å; V10-V18 HydrophobicContact CG1-CG2 3.74Å; V10-V18 HydrophobicContact CG2-CG2 4.02Å; V18-M20 HydrophobicContact CG1-CE 4.3Å; V18-E82 CarbonylContact O-C 3.59Å; V18-E82 VanDerWaalsContact O-CA 3.28Å; V18-E82 WeakPolarHBondContact O-CA 3.17Å; V18-L83 HydrophobicContact CG1-CB 4.08Å; V18-L83 PolarHBondContact N-O 3.45Å; V18-L83 PolarHBondContact O-N 3.11Å; V18-L86 HydrophobicContact CB-CD1 4.23Å; V18-L86 HydrophobicContact CG1-CD1 3.97Å; V18-L86 HydrophobicContact CG1-CD2 4.18Å
19	K	98	Very high	97	Very high	120 Å²	120	70.5 Å²	70.5	52%	0.522	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.8	175.8	-173.4	175.5	-178.6	177.7	0	110.1	Y80 M81	K19-Y80 HydrophobicContact CD-CD1 4.5Å; K19-Y80 HydrophobicContact CG-CD1 4.43Å; K19-M81 WeakPolarHBondContact CA-O 3.49Å
20	M	98.1	Very high	97.1	Very high	17 Å²	17	66.2 Å²	66.2	8%	0.084	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	149.5	176.1	-66.1	155.2	-74.4	0	0	109.7	S7 V18 W36 Y80 M81 L83 Y94	S7-M20 WeakPolarHBondContact OG-CA 3.48Å; V18-M20 HydrophobicContact CG1-CE 4.3Å; M20-W36 HydrophobicContact CB-CH2 4.19Å; M20-W36 HydrophobicContact CB-CZ3 4.17Å; M20-Y80 WeakPolarHBondContact O-CA 3.31Å; M20-M81 HydrophobicContact CE-CB 4.34Å; M20-M81 HydrophobicContact CE-CE 3.29Å; M20-M81 HydrophobicContact CE-CG 4.12Å; M20-M81 PolarHBondContact N-O 3.01Å; M20-M81 PolarHBondContact O-N 3.35Å; M20-M81 HydrophobicContact SD-CE 3.99Å; M20-L83 HydrophobicContact CE-CD1 3.83Å; M20-L83 HydrophobicContact CE-CG 3.94Å; M20-Y94 HydrophobicContact SD-CD2 4Å; M20-Y94 HydrophobicContact SD-CG 3.84Å
21	S	98.5	Very high	97.2	Very high	34 Å²	34	64.9 Å²	64.9	24%	0.238	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	152.9	175.5	67.5	0	0	0	0	111.4	Q6 S7 A79 Y80	Q6-S21 CarbonylContact C-O 3.59Å; Q6-S21 VanDerWaalsContact CA-O 3.32Å; Q6-S21 WeakPolarHBondContact CA-O 3.49Å; S7-S21 PolarHBondContact N-O 2.89Å; S7-S21 PolarHBondContact OG-N 3.28Å; S21-A79 CarbonylContact C-O 3.55Å; S21-A79 WeakPolarHBondContact CA-O 3.37Å; S21-Y80 VanDerWaalsContact CB-CE1 3.41Å
22	C	98.7	Very high	97.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	98.1	174.2	-178.4	0	0	0	0	108.7	Q5 W36 T78 A79 C96	Q5-C22 WeakPolarHBondContact O-CA 3.01Å; C22-W36 HydrophobicContact CB-CH2 3.7Å; C22-W36 HydrophobicContact CB-CZ2 3.82Å; C22-T78 WeakPolarHBondContact O-CA 3.34Å; C22-A79 PolarHBondContact N-O 2.81Å; C22-A79 PolarHBondContact O-N 3.45Å; C22-C96 HydrophobicContact CB-CB 3.43Å; C22-C96 VanDerWaalsContact CB-CB 3.43Å; C22-C96 WeakPolarHBondContact CB-SG 3.48Å; C22-C96 WeakPolarHBondContact SG-CB 3.34Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 3.11Å
23	K	98.5	Very high	97.4	Very high	114 Å²	114	64 Å²	64	50%	0.496	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	138.6	175.3	-176	175.5	-176.2	-177.8	0	109.1	L4 Q5 T78	L4-K23 WeakPolarHBondContact CA-O 3.34Å; Q5-K23 HydrophobicContact CB-CB 4.47Å; Q5-K23 PolarHBondContact N-O 3.38Å; Q5-K23 PolarHBondContact O-N 2.81Å; K23-T78 HydrophobicContact CB-CG2 4.38Å
24	T	97.6	Very high	97.5	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.031	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	152.2	-174.2	70.3	0	0	0	0	112.4	Q3 L4 Y27 F29 M34 S77	Q3-T24 VanDerWaalsContact O-CA 3.31Å; Q3-T24 WeakPolarHBondContact O-CA 3.27Å; L4-T24 HydrophobicContact CG-CG2 4.12Å; T24-Y27 WeakPolarHBondContact CB-OH 3.28Å; T24-Y27 HydrophobicContact CG2-CE1 4.41Å; T24-Y27 WeakPolarHBondContact CG2-OH 3.44Å; T24-Y27 PolarHBondContact OG1-OH 2.73Å; T24-F29 HydrophobicContact CG2-CD2 4.35Å; T24-F29 HydrophobicContact CG2-CE2 4.36Å; T24-F29 WeakPolarHBondContact OG1-CD2 3.42Å; T24-M34 HydrophobicContact CG2-CE 3.54Å; T24-S77 PolarHBondContact N-O 2.78Å; T24-S77 WeakPolarHBondContact O-CB 3.32Å; T24-S77 PolarHBondContact OG1-O 3.05Å
25	S	97.3	Very high	97.6	Very high	67 Å²	67	52.7 Å²	52.7	47%	0.469	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	167.7	172.9	64.2	0	0	0	0	111.1	Q3	Q3-S25 PolarHBondContact N-O 3.24Å; Q3-S25 PolarHBondContact O-N 2.97Å
26	G	96.5	Very high	97.6	Very high	53 Å²	53	50 Å²	50	55%	0.546	28%	0.277	S	S	.	.	S	Bend	trans	86.5	7.8	178.5	0	0	0	0	0	115.6	E1	E1-G26 WeakPolarHBondContact O-CA 3.48Å
27	Y	95.1	Very high	97.7	Very high	44 Å²	44	49 Å²	49	17%	0.173	27%	0.267	C	S	.	.	S	Bend	trans	-159	171.9	172.8	71.2	-76.9	0	0	0	111.3	V2 T24 F29 Y32 M34 R98	V2-Y27 HydrophobicContact CB-CD1 4.44Å; V2-Y27 HydrophobicContact CG1-CD1 3.71Å; V2-Y27 HydrophobicContact CG1-CE1 3.9Å; V2-Y27 HydrophobicContact CG2-CD1 4.03Å; V2-Y27 HydrophobicContact CG2-CG 4.44Å; T24-Y27 WeakPolarHBondContact CB-OH 3.28Å; T24-Y27 HydrophobicContact CG2-CE1 4.41Å; T24-Y27 WeakPolarHBondContact CG2-OH 3.44Å; T24-Y27 PolarHBondContact OG1-OH 2.73Å; Y27-F29 PolarHBondContact O-N 2.65Å; Y27-F29 VanDerWaalsContact O-N 3.14Å; Y27-Y32 AromaticContact CD2-CD2 3.58Å; Y27-Y32 HydrophobicContact CD2-CD2 3.58Å; Y27-Y32 HydrophobicContact CD2-CE2 4.15Å; Y27-Y32 HydrophobicContact CD2-CG 4.27Å; Y27-Y32 HydrophobicContact CE2-CD2 4.05Å; Y27-Y32 HydrophobicContact CE2-CG 4.41Å; Y27-M34 VanDerWaalsContact OH-CE 3.31Å; Y27-M34 WeakPolarHBondContact OH-CE 3.46Å; Y27-R98 VanDerWaalsContact CE1-CD 3.48Å; Y27-R98 HydrophobicContact CE1-CG 4.45Å; Y27-R98 HydrophobicContact CE2-CG 3.93Å
28	T	96.7	Very high	97.7	Very high	82 Å²	82	46.1 Å²	46.1	50%	0.503	25%	0.246	S	C	.	.			trans	-76.2	95.3	175.1	-50	0	0	0	0	110.8	T30 S31 Y32	T28-T30 PolarHBondContact O-N 2.94Å; T28-T30 VanDerWaalsContact O-N 3.08Å; T28-S31 VanDerWaalsContact CG2-OG 3.25Å; T28-S31 WeakPolarHBondContact CG2-OG 3.25Å; T28-S31 PolarHBondContact O-N 2.78Å; T28-Y32 WeakPolarHBondContact O-CD2 3.02Å
29	F	96.9	Very high	97.7	Very high	6 Å²	6	48.2 Å²	48.2	3%	0.026	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-50.6	-35.1	-176.6	177.5	-115.6	0	0	0	114.3	T24 Y27 S31 P53 A72 A79	T24-F29 HydrophobicContact CG2-CD2 4.35Å; T24-F29 HydrophobicContact CG2-CE2 4.36Å; T24-F29 WeakPolarHBondContact OG1-CD2 3.42Å; Y27-F29 PolarHBondContact O-N 2.65Å; Y27-F29 VanDerWaalsContact O-N 3.14Å; F29-S31 VanDerWaalsContact C-N 3.3Å; F29-S31 PolarHBondContact O-N 3.38Å; F29-P53 HydrophobicContact CD1-CB 3.79Å; F29-P53 HydrophobicContact CD1-CG 4.15Å; F29-P53 HydrophobicContact CD2-CG 4.16Å; F29-P53 HydrophobicContact CE1-CB 3.43Å; F29-P53 VanDerWaalsContact CE1-CB 3.43Å; F29-P53 HydrophobicContact CE1-CG 3.73Å; F29-P53 HydrophobicContact CE2-CB 4.37Å; F29-P53 HydrophobicContact CE2-CG 3.72Å; F29-P53 HydrophobicContact CG-CB 4.42Å; F29-P53 HydrophobicContact CG-CG 4.38Å; F29-P53 HydrophobicContact CZ-CB 3.75Å; F29-P53 HydrophobicContact CZ-CG 3.49Å; F29-P53 VanDerWaalsContact CZ-CG 3.49Å; F29-P53 WeakPolarHBondContact O-CG 3.38Å; F29-A72 HydrophobicContact CE1-CB 4.08Å; F29-A72 HydrophobicContact CZ-CB 3.94Å; F29-A79 HydrophobicContact CE2-CB 4.3Å; F29-A79 HydrophobicContact CZ-CB 4.12Å
30	T	97.8	Very high	97.6	Very high	54 Å²	54	44.9 Å²	44.9	33%	0.331	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-79.2	-6.5	-178.2	50.9	0	0	0	0	114.8	T28 Y52 G54 T74	T28-T30 PolarHBondContact O-N 2.94Å; T28-T30 VanDerWaalsContact O-N 3.08Å; T30-Y52 WeakPolarHBondContact O-CE1 3.29Å; T30-G54 WeakPolarHBondContact O-CA 3.36Å; T30-G54 PolarHBondContact O-N 2.59Å; T30-T74 HydrophobicContact CG2-CG2 3.67Å
31	S	97.1	Very high	97.5	Very high	57 Å²	57	49.8 Å²	49.8	40%	0.399	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-104.3	2.3	-175.6	-57.5	0	0	0	0	114.3	T28 F29 Y52	T28-S31 VanDerWaalsContact CG2-OG 3.25Å; T28-S31 WeakPolarHBondContact CG2-OG 3.25Å; T28-S31 PolarHBondContact O-N 2.78Å; F29-S31 VanDerWaalsContact C-N 3.3Å; F29-S31 PolarHBondContact O-N 3.38Å; S31-Y52 WeakPolarHBondContact CA-OH 3.4Å; S31-Y52 PolarHBondContact O-OH 2.77Å
32	Y	96.5	Very high	97.3	Very high	116 Å²	116	52.5 Å²	52.5	46%	0.455	31%	0.306	S	S	.	.	S	Bend	trans	-138	150.6	-175.4	-64.6	-90.9	0	0	0	111.4	Y27 T28 P53	Y27-Y32 AromaticContact CD2-CD2 3.58Å; Y27-Y32 HydrophobicContact CD2-CD2 3.58Å; Y27-Y32 HydrophobicContact CD2-CE2 4.15Å; Y27-Y32 HydrophobicContact CD2-CG 4.27Å; Y27-Y32 HydrophobicContact CE2-CD2 4.05Å; Y27-Y32 HydrophobicContact CE2-CG 4.41Å; T28-Y32 WeakPolarHBondContact O-CD2 3.02Å; Y32-P53 WeakPolarHBondContact O-CD 3.21Å
33	W	97.9	Very high	97.1	Very high	90 Å²	90	57.3 Å²	57.3	34%	0.341	33%	0.328	S	S	.	.			trans	-69.4	140.9	169.9	-71.9	91.6	0	0	0	110.7	A50 Y52 D57	W33-A50 HydrophobicContact CE3-CB 3.71Å; W33-A50 HydrophobicContact CZ3-CB 4.36Å; W33-Y52 AromaticContact CD1-CD2 3.7Å; W33-Y52 AromaticContact CD2-CD2 3.99Å; W33-Y52 HydrophobicContact CD2-CD2 3.99Å; W33-Y52 HydrophobicContact CD2-CG 4.34Å; W33-Y52 AromaticContact CE2-CD2 3.84Å; W33-Y52 AromaticContact CG-CD2 3.91Å; W33-Y52 HydrophobicContact CG-CD2 3.91Å; W33-Y52 HydrophobicContact CZ2-CD2 4.5Å; W33-Y52 HydrophobicContact CZ2-CG 4.37Å; W33-Y52 VanDerWaalsContact CZ3-N 3.28Å; W33-Y52 AromaticContact NE1-CD2 3.63Å; W33-D57 HydrophobicContact CH2-CB 3.91Å; W33-D57 VanDerWaalsContact CZ3-O 3.32Å; W33-D57 WeakPolarHBondContact CZ3-O 3.31Å
34	M	98.1	Very high	97	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.7	168.2	179.1	57.8	56.5	0	0	108.6	L4 T24 Y27 A50 I51 A79 C96 R98	L4-M34 HydrophobicContact CD2-CE 4.25Å; L4-M34 HydrophobicContact CD2-SD 4.26Å; T24-M34 HydrophobicContact CG2-CE 3.54Å; Y27-M34 VanDerWaalsContact OH-CE 3.31Å; Y27-M34 WeakPolarHBondContact OH-CE 3.46Å; M34-A50 CarbonylContact O-C 3.55Å; M34-A50 WeakPolarHBondContact O-CA 3.46Å; M34-A50 WeakPolarHBondContact O-CB 3.15Å; M34-I51 HydrophobicContact CB-CG2 4.09Å; M34-I51 PolarHBondContact N-O 2.95Å; M34-I51 PolarHBondContact O-N 3Å; M34-A79 HydrophobicContact CB-CB 4.25Å; M34-A79 HydrophobicContact CG-CB 3.65Å; M34-C96 HydrophobicContact SD-CB 3.85Å; M34-R98 HydrophobicContact CE-CB 3.85Å; M34-R98 HydrophobicContact CE-CG 4.47Å
35	H	98.7	Very high	97	Very high	62 Å²	62	60.2 Å²	60.2	29%	0.287	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	150.9	-178.3	-63.2	-109.4	0	0	0	110.7	W47 G49 A50 C96 T97	H35-W47 AromaticContact CG-NE1 3.98Å; H35-W47 AromaticContact ND1-CD1 3.98Å; H35-W47 AromaticContact ND1-NE1 3.22Å; H35-W47 PolarHBondContact ND1-NE1 2.87Å; H35-G49 WeakPolarHBondContact CA-O 3.44Å; H35-A50 HydrophobicContact CB-CB 4.46Å; H35-C96 CarbonylContact O-C 3.52Å; H35-C96 VanDerWaalsContact O-CA 3.28Å; H35-C96 WeakPolarHBondContact O-CA 3.32Å; H35-T97 WeakPolarHBondContact CB-OG1 3.25Å; H35-T97 PolarHBondContact N-O 3.21Å; H35-T97 PolarHBondContact O-N 3.2Å
36	W	98.8	Very high	97	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.7	170.6	-69	90.1	0	0	0	110.1	M20 C22 I48 G49 L70 A79 M81 Y95 C96	M20-W36 HydrophobicContact CB-CH2 4.19Å; M20-W36 HydrophobicContact CB-CZ3 4.17Å; C22-W36 HydrophobicContact CB-CH2 3.7Å; C22-W36 HydrophobicContact CB-CZ2 3.82Å; W36-I48 HydrophobicContact CB-CB 4.22Å; W36-I48 HydrophobicContact CB-CD1 4.32Å; W36-I48 WeakPolarHBondContact O-CB 3.45Å; W36-I48 PolarHBondContact O-N 3.22Å; W36-G49 PolarHBondContact N-O 3.09Å; W36-L70 VanDerWaalsContact CD1-CD2 3.49Å; W36-L70 HydrophobicContact CG-CD2 4.09Å; W36-A79 HydrophobicContact CZ2-CB 4.44Å; W36-M81 HydrophobicContact CB-CE 4.25Å; W36-M81 HydrophobicContact CB-SD 3.66Å; W36-M81 HydrophobicContact CD2-CB 3.66Å; W36-M81 HydrophobicContact CD2-CE 4.09Å; W36-M81 HydrophobicContact CD2-CG 4.47Å; W36-M81 HydrophobicContact CD2-SD 4.01Å; W36-M81 HydrophobicContact CE3-CB 4.01Å; W36-M81 HydrophobicContact CE3-CE 3.65Å; W36-M81 HydrophobicContact CE3-SD 4.2Å; W36-M81 HydrophobicContact CG-CB 4.09Å; W36-M81 HydrophobicContact CG-CE 4.37Å; W36-M81 HydrophobicContact CG-SD 3.8Å; W36-M81 HydrophobicContact CH2-CB 4.24Å; W36-M81 HydrophobicContact CZ2-CB 3.95Å; W36-M81 HydrophobicContact CZ3-CB 4.28Å; W36-M81 HydrophobicContact CZ3-CE 4.31Å; W36-Y95 CarbonylContact C-O 3.5Å; W36-Y95 WeakPolarHBondContact CA-O 3.29Å; W36-C96 HydrophobicContact CD2-CB 4.18Å; W36-C96 HydrophobicContact CE3-CB 3.96Å; W36-C96 HydrophobicContact CH2-CB 3.97Å; W36-C96 HydrophobicContact CZ2-CB 4.15Å; W36-C96 HydrophobicContact CZ3-CB 3.86Å
37	V	98.7	Very high	97.1	Very high	17 Å²	17	60 Å²	60	10%	0.103	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137.6	-174.4	-176.4	0	0	0	0	109.4	L45 E46 Y94 Y95	V37-L45 HydrophobicContact CG1-CB 3.7Å; V37-L45 HydrophobicContact CG1-CD2 3.88Å; V37-L45 HydrophobicContact CG1-CG 4.23Å; V37-E46 WeakPolarHBondContact CA-O 3.37Å; V37-Y94 CarbonylContact O-C 3.56Å; V37-Y94 WeakPolarHBondContact O-CA 3.47Å; V37-Y95 PolarHBondContact N-O 3.09Å; V37-Y95 PolarHBondContact O-N 3.1Å
38	K	98.2	Very high	97.3	Very high	5 Å²	5	58 Å²	58	2%	0.022	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	137.7	174.2	-175.7	177.9	-179.7	177	0	109.7	E46 I48 F64 E89 D90 A92 Y94	K38-E46 HydrophobicContact CB-CB 4.4Å; K38-E46 PolarHBondContact N-O 3.39Å; K38-E46 PolarHBondContact O-N 3.36Å; K38-I48 HydrophobicContact CB-CD1 3.89Å; K38-I48 HydrophobicContact CB-CG1 4.12Å; K38-F64 HydrophobicContact CB-CZ 4.42Å; K38-F64 HydrophobicContact CD-CE1 3.97Å; K38-F64 HydrophobicContact CD-CZ 3.81Å; K38-E89 VanDerWaalsContact CE-O 3.29Å; K38-E89 WeakPolarHBondContact CE-O 3.15Å; K38-E89 PolarHBondContact NZ-O 2.85Å; K38-D90 IonicContact NZ-OD1 3.38Å; K38-D90 PolarHBondContact NZ-OD1 3.43Å; K38-A92 HydrophobicContact CD-CB 4.21Å; K38-A92 HydrophobicContact CG-CB 3.54Å; K38-Y94 HydrophobicContact CB-CD1 4.15Å; K38-Y94 HydrophobicContact CB-CE1 3.92Å; K38-Y94 HydrophobicContact CD-CE1 3.94Å; K38-Y94 WeakPolarHBondContact CE-OH 3.43Å; K38-Y94 HydrophobicContact CG-CD1 4.27Å; K38-Y94 HydrophobicContact CG-CE1 3.7Å
39	Q	98.1	Very high	97.4	Very high	68 Å²	68	54 Å²	54	32%	0.318	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	117.2	170.8	-166.9	179.4	17.8	0	0	110.6	L45 A92 V93 Y95	Q39-L45 HydrophobicContact CB-CD2 3.85Å; Q39-L45 HydrophobicContact CG-CD2 3.94Å; Q39-A92 WeakPolarHBondContact O-CA 3.38Å; Q39-A92 WeakPolarHBondContact O-CB 3.28Å; Q39-V93 PolarHBondContact N-O 2.91Å; Q39-V93 PolarHBondContact O-N 3.31Å; Q39-Y95 HydrophobicContact CB-CD2 4.39Å; Q39-Y95 HydrophobicContact CB-CE2 3.86Å; Q39-Y95 PolarHBondContact OE1-OH 3.01Å
40	R	96.1	Very high	97.5	Very high	50 Å²	50	53.9 Å²	53.9	19%	0.189	30%	0.304	C	S	.	.			trans	-89.8	149.1	171.8	-76.2	-176.3	-94.7	-165.9	-10	110.3	G42 Q43 E46 E89 A92	R40-G42 PolarHBondContact O-N 3.04Å; R40-Q43 HydrophobicContact CB-CB 3.96Å; R40-Q43 HydrophobicContact CB-CG 3.97Å; R40-Q43 PolarHBondContact O-N 3.33Å; R40-E46 IonicContact NH2-OE2 3.38Å; R40-E46 PolarHBondContact NH2-OE2 2.77Å; R40-E89 IonicContact NH1-OE2 3.83Å; R40-A92 HydrophobicContact CG-CB 3.93Å
41	P	95	Very high	97.5	Very high	120 Å²	120	51.4 Å²	51.4	78%	0.779	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	129.4	173.2	-25.8	34.7	0	0	0	111.4	Q43	P41-Q43 PolarHBondContact O-N 3.32Å
42	G	95.5	Very high	97.6	Very high	92 Å²	92	51.7 Å²	51.7	95%	0.948	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	4.6	-178.3	0	0	0	0	0	115.5	R40	R40-G42 PolarHBondContact O-N 3.04Å
43	Q	94.9	Very high	97.7	Very high	100 Å²	100	46.4 Å²	46.4	47%	0.467	26%	0.261	S	S	.	.	S	Bend	trans	-114.1	161.6	177.5	-58.7	-172.4	29.4	0	0	111.8	R40 P41	R40-Q43 HydrophobicContact CB-CB 3.96Å; R40-Q43 HydrophobicContact CB-CG 3.97Å; R40-Q43 PolarHBondContact O-N 3.33Å; P41-Q43 PolarHBondContact O-N 3.32Å
44	G	95.2	Very high	97.7	Very high	58 Å²	58	44.1 Å²	44.1	60%	0.598	27%	0.266	S	S	*	.			trans	-70	174.3	172.7	0	0	0	0	0	113.2
45	L	97.8	Very high	97.6	Very high	122 Å²	122	49 Å²	49	64%	0.639	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	127.3	172.1	-65.2	179.6	0	0	0	110.2	V37 Q39	V37-L45 HydrophobicContact CG1-CB 3.7Å; V37-L45 HydrophobicContact CG1-CD2 3.88Å; V37-L45 HydrophobicContact CG1-CG 4.23Å; Q39-L45 HydrophobicContact CB-CD2 3.85Å; Q39-L45 HydrophobicContact CG-CD2 3.94Å
46	E	98.1	Very high	97.5	Very high	32 Å²	32	49.8 Å²	49.8	15%	0.15	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	111.8	176.3	-174.7	171.4	-141.9	0	0	109.1	V37 K38 R40 I48 K63 F64	V37-E46 WeakPolarHBondContact CA-O 3.37Å; K38-E46 HydrophobicContact CB-CB 4.4Å; K38-E46 PolarHBondContact N-O 3.39Å; K38-E46 PolarHBondContact O-N 3.36Å; R40-E46 IonicContact NH2-OE2 3.38Å; R40-E46 PolarHBondContact NH2-OE2 2.77Å; E46-I48 PolarHBondContact O-N 3.47Å; E46-K63 VanDerWaalsContact OE1-CD 3.27Å; E46-K63 WeakPolarHBondContact OE1-CD 3.31Å; E46-K63 IonicContact OE1-NZ 2.8Å; E46-K63 PolarHBondContact OE1-NZ 2.92Å; E46-F64 HydrophobicContact CG-CE2 3.85Å; E46-F64 HydrophobicContact CG-CZ 4.18Å
47	W	98.5	Very high	97.5	Very high	85 Å²	85	54 Å²	54	32%	0.322	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	129.7	178.3	180	74.6	0	0	0	110.7	H35 G49 A50 N61	H35-W47 AromaticContact CG-NE1 3.98Å; H35-W47 AromaticContact ND1-CD1 3.98Å; H35-W47 AromaticContact ND1-NE1 3.22Å; H35-W47 PolarHBondContact ND1-NE1 2.87Å; W47-G49 VanDerWaalsContact CE2-C 3.46Å; W47-G49 VanDerWaalsContact CE2-CA 3.48Å; W47-G49 PolarHBondContact NE1-O 2.82Å; W47-G49 VanDerWaalsContact NE1-O 3.09Å; W47-A50 HydrophobicContact CZ2-CB 4Å; W47-N61 HydrophobicContact CE3-CB 3.78Å; W47-N61 HydrophobicContact CZ3-CB 3.95Å; W47-N61 WeakPolarHBondContact O-CB 3.5Å; W47-N61 PolarHBondContact O-ND2 2.92Å
48	I	98.7	Very high	97.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-50.1	-178.7	-67.1	162.8	0	0	0	110.7	W36 K38 E46 N61 F64 A68 M81 Y94	W36-I48 HydrophobicContact CB-CB 4.22Å; W36-I48 HydrophobicContact CB-CD1 4.32Å; W36-I48 WeakPolarHBondContact O-CB 3.45Å; W36-I48 PolarHBondContact O-N 3.22Å; K38-I48 HydrophobicContact CB-CD1 3.89Å; K38-I48 HydrophobicContact CB-CG1 4.12Å; E46-I48 PolarHBondContact O-N 3.47Å; I48-N61 WeakPolarHBondContact O-CB 3Å; I48-N61 PolarHBondContact O-N 2.89Å; I48-F64 HydrophobicContact CB-CD1 4.42Å; I48-F64 HydrophobicContact CB-CD2 4.27Å; I48-F64 HydrophobicContact CB-CG 4.18Å; I48-F64 HydrophobicContact CD1-CE1 4.43Å; I48-F64 HydrophobicContact CG1-CD1 3.93Å; I48-F64 HydrophobicContact CG1-CD2 4.11Å; I48-F64 HydrophobicContact CG1-CE1 3.79Å; I48-F64 HydrophobicContact CG1-CE2 3.97Å; I48-F64 HydrophobicContact CG1-CG 4.08Å; I48-F64 HydrophobicContact CG1-CZ 3.81Å; I48-F64 HydrophobicContact CG2-CB 3.79Å; I48-F64 HydrophobicContact CG2-CD1 3.97Å; I48-F64 HydrophobicContact CG2-CD2 4.32Å; I48-F64 HydrophobicContact CG2-CG 3.76Å; I48-A68 HydrophobicContact CG2-CB 3.77Å; I48-M81 HydrophobicContact CB-SD 4.46Å; I48-M81 HydrophobicContact CD1-CE 3.71Å; I48-M81 HydrophobicContact CD1-SD 3.73Å; I48-M81 HydrophobicContact CG2-SD 3.83Å; I48-Y94 HydrophobicContact CD1-CD1 3.64Å; I48-Y94 HydrophobicContact CD1-CE1 3.84Å
49	G	98.7	Very high	97.5	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173	175.9	-169.5	0	0	0	0	0	112.1	H35 W36 W47 S59	H35-G49 WeakPolarHBondContact CA-O 3.44Å; W36-G49 PolarHBondContact N-O 3.09Å; W47-G49 VanDerWaalsContact CE2-C 3.46Å; W47-G49 VanDerWaalsContact CE2-CA 3.48Å; W47-G49 PolarHBondContact NE1-O 2.82Å; W47-G49 VanDerWaalsContact NE1-O 3.09Å; G49-S59 CarbonylContact C-O 3.55Å; G49-S59 WeakPolarHBondContact CA-O 3.29Å
50	A	98.7	Very high	97.6	Very high	3 Å²	3	57.8 Å²	57.8	3%	0.025	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	152.8	173.5	0	0	0	0	0	111.2	W33 M34 H35 W47 T58 S59	W33-A50 HydrophobicContact CE3-CB 3.71Å; W33-A50 HydrophobicContact CZ3-CB 4.36Å; M34-A50 CarbonylContact O-C 3.55Å; M34-A50 WeakPolarHBondContact O-CA 3.46Å; M34-A50 WeakPolarHBondContact O-CB 3.15Å; H35-A50 HydrophobicContact CB-CB 4.46Å; W47-A50 HydrophobicContact CZ2-CB 4Å; A50-T58 WeakPolarHBondContact O-CA 3.45Å; A50-S59 PolarHBondContact N-O 3.26Å; A50-S59 PolarHBondContact O-N 3.41Å
51	I	98.7	Very high	97.7	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.5	172.2	-177	166.6	0	0	0	109.9	M34 P53 D57 T58 L70 A72 A79	M34-I51 HydrophobicContact CB-CG2 4.09Å; M34-I51 PolarHBondContact N-O 2.95Å; M34-I51 PolarHBondContact O-N 3Å; I51-P53 WeakPolarHBondContact O-CD 3.28Å; I51-D57 CarbonylContact C-O 3.56Å; I51-D57 VanDerWaalsContact CA-O 3.31Å; I51-D57 WeakPolarHBondContact CA-O 3.49Å; I51-T58 HydrophobicContact CB-CG2 4Å; I51-T58 HydrophobicContact CD1-CG2 4.02Å; I51-T58 HydrophobicContact CG1-CG2 3.84Å; I51-L70 HydrophobicContact CB-CB 4.1Å; I51-L70 HydrophobicContact CG2-CB 4.4Å; I51-A72 HydrophobicContact CD1-CB 3.91Å; I51-A79 HydrophobicContact CG2-CB 4.49Å
52	Y	98.5	Very high	97.8	Very high	63 Å²	63	60 Å²	60	25%	0.247	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	103.9	170.1	-168.6	-99.6	0	0	0	109.1	T30 S31 W33 G54 N55 S56 D57	T30-Y52 WeakPolarHBondContact O-CE1 3.29Å; S31-Y52 WeakPolarHBondContact CA-OH 3.4Å; S31-Y52 PolarHBondContact O-OH 2.77Å; W33-Y52 AromaticContact CD1-CD2 3.7Å; W33-Y52 AromaticContact CD2-CD2 3.99Å; W33-Y52 HydrophobicContact CD2-CD2 3.99Å; W33-Y52 HydrophobicContact CD2-CG 4.34Å; W33-Y52 AromaticContact CE2-CD2 3.84Å; W33-Y52 AromaticContact CG-CD2 3.91Å; W33-Y52 HydrophobicContact CG-CD2 3.91Å; W33-Y52 HydrophobicContact CZ2-CD2 4.5Å; W33-Y52 HydrophobicContact CZ2-CG 4.37Å; W33-Y52 VanDerWaalsContact CZ3-N 3.28Å; W33-Y52 AromaticContact NE1-CD2 3.63Å; Y52-G54 PolarHBondContact O-N 2.99Å; Y52-G54 VanDerWaalsContact O-N 3.09Å; Y52-N55 VanDerWaalsContact CD1-OD1 3.29Å; Y52-N55 WeakPolarHBondContact CD1-OD1 3.32Å; Y52-N55 PolarHBondContact O-N 3.16Å; Y52-N55 PolarHBondContact O-OD1 2.86Å; Y52-S56 WeakPolarHBondContact O-CA 3.32Å; Y52-S56 PolarHBondContact O-N 2.83Å; Y52-D57 PolarHBondContact N-O 2.9Å
53	P	98.2	Very high	97.8	Very high	4 Å²	4	62.6 Å²	62.6	3%	0.026	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-20.6	-170.4	-22.7	35.9	0	0	0	114	F29 Y32 I51 N55 A72 T74	F29-P53 HydrophobicContact CD1-CB 3.79Å; F29-P53 HydrophobicContact CD1-CG 4.15Å; F29-P53 HydrophobicContact CD2-CG 4.16Å; F29-P53 HydrophobicContact CE1-CB 3.43Å; F29-P53 VanDerWaalsContact CE1-CB 3.43Å; F29-P53 HydrophobicContact CE1-CG 3.73Å; F29-P53 HydrophobicContact CE2-CB 4.37Å; F29-P53 HydrophobicContact CE2-CG 3.72Å; F29-P53 HydrophobicContact CG-CB 4.42Å; F29-P53 HydrophobicContact CG-CG 4.38Å; F29-P53 HydrophobicContact CZ-CB 3.75Å; F29-P53 HydrophobicContact CZ-CG 3.49Å; F29-P53 VanDerWaalsContact CZ-CG 3.49Å; F29-P53 WeakPolarHBondContact O-CG 3.38Å; Y32-P53 WeakPolarHBondContact O-CD 3.21Å; I51-P53 WeakPolarHBondContact O-CD 3.28Å; P53-N55 VanDerWaalsContact C-N 3.31Å; P53-N55 PolarHBondContact O-N 2.86Å; P53-A72 HydrophobicContact CB-CB 3.88Å; P53-A72 HydrophobicContact CG-CB 4.18Å; P53-T74 HydrophobicContact CB-CG2 4.47Å; P53-T74 WeakPolarHBondContact O-CG2 3.43Å
54	G	97.7	Very high	97.9	Very high	43 Å²	43	58.2 Å²	58.2	44%	0.443	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-27.1	179.7	0	0	0	0	0	114.6	T30 Y52	T30-G54 WeakPolarHBondContact O-CA 3.36Å; T30-G54 PolarHBondContact O-N 2.59Å; Y52-G54 PolarHBondContact O-N 2.99Å; Y52-G54 VanDerWaalsContact O-N 3.09Å
55	N	97.7	Very high	97.9	Very high	103 Å²	103	63 Å²	63	55%	0.551	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.4	5.1	179.9	67.5	4.1	0	0	0	113.5	Y52 P53 D57	Y52-N55 VanDerWaalsContact CD1-OD1 3.29Å; Y52-N55 WeakPolarHBondContact CD1-OD1 3.32Å; Y52-N55 PolarHBondContact O-N 3.16Å; Y52-N55 PolarHBondContact O-OD1 2.86Å; P53-N55 VanDerWaalsContact C-N 3.31Å; P53-N55 PolarHBondContact O-N 2.86Å; N55-D57 PolarHBondContact O-N 3.26Å; N55-D57 WeakPolarHBondContact OD1-CB 3.44Å; N55-D57 PolarHBondContact OD1-N 3.02Å
56	S	96.9	Very high	97.8	Very high	78 Å²	78	60.7 Å²	60.7	55%	0.545	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	18	-177.3	-52.8	0	0	0	0	115.1	Y52	Y52-S56 WeakPolarHBondContact O-CA 3.32Å; Y52-S56 PolarHBondContact O-N 2.83Å
57	D	98.5	Very high	97.7	Very high	88 Å²	88	61.4 Å²	61.4	47%	0.471	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	144	174.9	-167.6	20.8	0	0	0	110.4	W33 I51 Y52 N55	W33-D57 HydrophobicContact CH2-CB 3.91Å; W33-D57 VanDerWaalsContact CZ3-O 3.32Å; W33-D57 WeakPolarHBondContact CZ3-O 3.31Å; I51-D57 CarbonylContact C-O 3.56Å; I51-D57 VanDerWaalsContact CA-O 3.31Å; I51-D57 WeakPolarHBondContact CA-O 3.49Å; Y52-D57 PolarHBondContact N-O 2.9Å; N55-D57 PolarHBondContact O-N 3.26Å; N55-D57 WeakPolarHBondContact OD1-CB 3.44Å; N55-D57 PolarHBondContact OD1-N 3.02Å
58	T	98.6	Very high	97.7	Very high	51 Å²	51	57.7 Å²	57.7	31%	0.313	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	139.1	-174.5	55.3	0	0	0	0	112	A50 I51 Y60 L70	A50-T58 WeakPolarHBondContact O-CA 3.45Å; I51-T58 HydrophobicContact CB-CG2 4Å; I51-T58 HydrophobicContact CD1-CG2 4.02Å; I51-T58 HydrophobicContact CG1-CG2 3.84Å; T58-Y60 HydrophobicContact CG2-CE2 4.48Å; T58-Y60 WeakPolarHBondContact OG1-CE2 2.96Å; T58-L70 HydrophobicContact CG2-CB 4.2Å
59	S	98.5	Very high	97.7	Very high	59 Å²	59	63.5 Å²	63.5	41%	0.413	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144	171.7	-174.6	0	0	0	0	109.5	G49 A50	G49-S59 CarbonylContact C-O 3.55Å; G49-S59 WeakPolarHBondContact CA-O 3.29Å; A50-S59 PolarHBondContact N-O 3.26Å; A50-S59 PolarHBondContact O-N 3.41Å
60	Y	98.7	Very high	97.7	Very high	60 Å²	60	63.9 Å²	63.9	24%	0.235	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.8	-176.4	-66.3	-91.3	0	0	0	110.8	T58 A68 L70	T58-Y60 HydrophobicContact CG2-CE2 4.48Å; T58-Y60 WeakPolarHBondContact OG1-CE2 2.96Å; Y60-A68 HydrophobicContact CD1-CB 4.4Å; Y60-A68 HydrophobicContact CE1-CB 4.17Å; Y60-A68 VanDerWaalsContact CE1-O 3.29Å; Y60-A68 WeakPolarHBondContact CE1-O 3.32Å; Y60-L70 HydrophobicContact CE1-CD1 4.1Å; Y60-L70 HydrophobicContact CE1-CG 3.7Å; Y60-L70 PolarHBondContact OH-N 2.84Å
61	N	98.2	Very high	97.7	Very high	41 Å²	41	66.2 Å²	66.2	22%	0.219	36%	0.36	C	S	.	.			trans	-66.3	135.4	157.6	-179.5	-33.5	0	0	0	108.6	W47 I48 K63 F64 K65	W47-N61 HydrophobicContact CE3-CB 3.78Å; W47-N61 HydrophobicContact CZ3-CB 3.95Å; W47-N61 WeakPolarHBondContact O-CB 3.5Å; W47-N61 PolarHBondContact O-ND2 2.92Å; I48-N61 WeakPolarHBondContact O-CB 3Å; I48-N61 PolarHBondContact O-N 2.89Å; N61-K63 PolarHBondContact O-N 2.87Å; N61-K63 VanDerWaalsContact O-N 3.09Å; N61-K63 PolarHBondContact OD1-N 2.9Å; N61-F64 HydrophobicContact CB-CD2 4Å; N61-F64 PolarHBondContact O-N 2.76Å; N61-K65 PolarHBondContact O-N 2.87Å; N61-K65 VanDerWaalsContact O-N 3.1Å
62	Q	97.4	Very high	97.7	Very high	176 Å²	176	67.2 Å²	67.2	82%	0.822	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-34.9	-178	-170.4	175	2.3	0	0	113.1	F64 K65	Q62-F64 PolarHBondContact O-N 2.97Å; Q62-K65 PolarHBondContact O-N 2.82Å
63	K	95.3	Very high	97.7	Very high	147 Å²	147	67.1 Å²	67.1	64%	0.639	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.2	177.4	-66.4	-175.1	-173	176.6	0	114.1	E46 N61	E46-K63 VanDerWaalsContact OE1-CD 3.27Å; E46-K63 WeakPolarHBondContact OE1-CD 3.31Å; E46-K63 IonicContact OE1-NZ 2.8Å; E46-K63 PolarHBondContact OE1-NZ 2.92Å; N61-K63 PolarHBondContact O-N 2.87Å; N61-K63 VanDerWaalsContact O-N 3.09Å; N61-K63 PolarHBondContact OD1-N 2.9Å
64	F	97.6	Very high	97.7	Very high	7 Å²	7	70.4 Å²	70.4	3%	0.031	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-6.7	-177.7	-63.6	-87.9	0	0	0	112.6	K38 E46 I48 N61 Q62 G66 K67 A68	K38-F64 HydrophobicContact CB-CZ 4.42Å; K38-F64 HydrophobicContact CD-CE1 3.97Å; K38-F64 HydrophobicContact CD-CZ 3.81Å; E46-F64 HydrophobicContact CG-CE2 3.85Å; E46-F64 HydrophobicContact CG-CZ 4.18Å; I48-F64 HydrophobicContact CB-CD1 4.42Å; I48-F64 HydrophobicContact CB-CD2 4.27Å; I48-F64 HydrophobicContact CB-CG 4.18Å; I48-F64 HydrophobicContact CD1-CE1 4.43Å; I48-F64 HydrophobicContact CG1-CD1 3.93Å; I48-F64 HydrophobicContact CG1-CD2 4.11Å; I48-F64 HydrophobicContact CG1-CE1 3.79Å; I48-F64 HydrophobicContact CG1-CE2 3.97Å; I48-F64 HydrophobicContact CG1-CG 4.08Å; I48-F64 HydrophobicContact CG1-CZ 3.81Å; I48-F64 HydrophobicContact CG2-CB 3.79Å; I48-F64 HydrophobicContact CG2-CD1 3.97Å; I48-F64 HydrophobicContact CG2-CD2 4.32Å; I48-F64 HydrophobicContact CG2-CG 3.76Å; N61-F64 HydrophobicContact CB-CD2 4Å; N61-F64 PolarHBondContact O-N 2.76Å; Q62-F64 PolarHBondContact O-N 2.97Å; F64-G66 PolarHBondContact O-N 2.9Å; F64-K67 PolarHBondContact O-N 2.83Å; F64-A68 HydrophobicContact CB-CB 4.1Å; F64-A68 PolarHBondContact O-N 2.79Å
65	K	95.7	Very high	97.6	Very high	159 Å²	159	73.7 Å²	73.7	69%	0.691	41%	0.411	S	S	*	.	B	Isolated β-bridge	trans	-61.4	124.1	175.6	-167.3	172.2	-175.7	175.5	0	109.6	N61 Q62 K67	N61-K65 PolarHBondContact O-N 2.87Å; N61-K65 VanDerWaalsContact O-N 3.1Å; Q62-K65 PolarHBondContact O-N 2.82Å; K65-K67 VanDerWaalsContact C-N 3.26Å; K65-K67 PolarHBondContact O-N 2.85Å
66	G	95.2	Very high	97.6	Very high	73 Å²	73	70.7 Å²	70.7	75%	0.753	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-20.5	-174.8	0	0	0	0	0	114.7	F64	F64-G66 PolarHBondContact O-N 2.9Å
67	K	96.8	Very high	97.6	Very high	47 Å²	47	69 Å²	69	20%	0.204	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-43.9	175.3	-171.6	170.5	-165.2	169.6	0	112.6	F64 K65 L83 S84 D90	F64-K67 PolarHBondContact O-N 2.83Å; K65-K67 VanDerWaalsContact C-N 3.26Å; K65-K67 PolarHBondContact O-N 2.85Å; K67-L83 WeakPolarHBondContact O-CA 3.31Å; K67-S84 PolarHBondContact O-N 2.87Å; K67-S84 PolarHBondContact O-OG 2.02Å; K67-D90 VanDerWaalsContact CE-CG 3.5Å; K67-D90 WeakPolarHBondContact CE-OD1 3.48Å; K67-D90 WeakPolarHBondContact CE-OD2 3.48Å; K67-D90 IonicContact NZ-OD1 2.77Å; K67-D90 PolarHBondContact NZ-OD1 2.83Å; K67-D90 IonicContact NZ-OD2 2.59Å; K67-D90 PolarHBondContact NZ-OD2 3.28Å
68	A	98.5	Very high	97.7	Very high	7 Å²	7	65.3 Å²	65.3	6%	0.058	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	140.4	177	0	0	0	0	0	110.7	I48 Y60 F64 E82 L83	I48-A68 HydrophobicContact CG2-CB 3.77Å; Y60-A68 HydrophobicContact CD1-CB 4.4Å; Y60-A68 HydrophobicContact CE1-CB 4.17Å; Y60-A68 VanDerWaalsContact CE1-O 3.29Å; Y60-A68 WeakPolarHBondContact CE1-O 3.32Å; F64-A68 HydrophobicContact CB-CB 4.1Å; F64-A68 PolarHBondContact O-N 2.79Å; A68-E82 CarbonylContact C-O 3.41Å; A68-E82 VanDerWaalsContact CA-O 3.31Å; A68-E82 WeakPolarHBondContact CA-O 3.45Å; A68-L83 HydrophobicContact CB-CD2 3.77Å
69	K	98.6	Very high	97.7	Very high	123 Å²	123	62.9 Å²	62.9	54%	0.535	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118.6	169.2	-179.4	-178.9	179.2	-179.4	0	109.2	T71 M81 E82	K69-T71 HydrophobicContact CG-CG2 4.37Å; K69-M81 WeakPolarHBondContact O-CA 3.16Å; K69-E82 HydrophobicContact CB-CB 4.39Å; K69-E82 PolarHBondContact N-O 2.95Å; K69-E82 PolarHBondContact O-N 3.06Å
70	L	98.8	Very high	97.7	Very high	8 Å²	8	62.7 Å²	62.7	4%	0.042	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.7	177.6	-53.1	-174.8	0	0	0	110.3	W36 I51 T58 Y60 Y80 M81	W36-L70 VanDerWaalsContact CD1-CD2 3.49Å; W36-L70 HydrophobicContact CG-CD2 4.09Å; I51-L70 HydrophobicContact CB-CB 4.1Å; I51-L70 HydrophobicContact CG2-CB 4.4Å; T58-L70 HydrophobicContact CG2-CB 4.2Å; Y60-L70 HydrophobicContact CE1-CD1 4.1Å; Y60-L70 HydrophobicContact CE1-CG 3.7Å; Y60-L70 PolarHBondContact OH-N 2.84Å; L70-Y80 WeakPolarHBondContact CA-O 3.33Å; L70-M81 HydrophobicContact CD2-CB 3.73Å; L70-M81 HydrophobicContact CD2-CG 3.67Å; L70-M81 HydrophobicContact CD2-SD 4.02Å
71	T	98.5	Very high	97.7	Very high	51 Å²	51	59.8 Å²	59.8	31%	0.313	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	160.9	176.1	55.4	0	0	0	0	110.1	K69 A79 Y80	K69-T71 HydrophobicContact CG-CG2 4.37Å; T71-A79 CarbonylContact O-C 3.57Å; T71-A79 WeakPolarHBondContact O-CA 3.44Å; T71-Y80 PolarHBondContact N-O 2.8Å; T71-Y80 PolarHBondContact O-N 3.02Å
72	A	98.4	Very high	97.7	Very high	23 Å²	23	61.3 Å²	61.3	19%	0.19	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	145	176.7	0	0	0	0	0	110.8	F29 I51 P53 T78	F29-A72 HydrophobicContact CE1-CB 4.08Å; F29-A72 HydrophobicContact CZ-CB 3.94Å; I51-A72 HydrophobicContact CD1-CB 3.91Å; P53-A72 HydrophobicContact CB-CB 3.88Å; P53-A72 HydrophobicContact CG-CB 4.18Å; A72-T78 WeakPolarHBondContact CA-O 3.02Å
73	V	98.2	Very high	97.7	Very high	62 Å²	62	52.9 Å²	52.9	38%	0.376	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	103.7	172.5	180	0	0	0	0	107.3	A76 S77 T78 Y80	V73-A76 HydrophobicContact CB-CB 4.19Å; V73-A76 HydrophobicContact CG1-CB 3.81Å; V73-A76 PolarHBondContact O-N 3.04Å; V73-S77 PolarHBondContact O-N 2.87Å; V73-S77 VanDerWaalsContact O-N 3.11Å; V73-T78 PolarHBondContact N-O 3.31Å; V73-T78 PolarHBondContact O-N 2.96Å; V73-Y80 HydrophobicContact CB-CE2 4.3Å; V73-Y80 HydrophobicContact CG2-CD2 4.45Å; V73-Y80 HydrophobicContact CG2-CE2 3.8Å
74	T	97.4	Very high	97.8	Very high	72 Å²	72	47.7 Å²	47.7	44%	0.442	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-64.1	-43.2	-172.2	54.1	0	0	0	0	112.3	T30 P53 A76 S77	T30-T74 HydrophobicContact CG2-CG2 3.67Å; P53-T74 HydrophobicContact CB-CG2 4.47Å; P53-T74 WeakPolarHBondContact O-CG2 3.43Å; T74-A76 PolarHBondContact O-N 2.77Å; T74-S77 PolarHBondContact O-N 2.96Å
75	S	96.6	Very high	97.8	Very high	113 Å²	113	51.2 Å²	51.2	79%	0.79	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-60.2	-27.6	176.6	56.8	0	0	0	0	113.5
76	A	97.3	Very high	97.9	Very high	40 Å²	40	44.5 Å²	44.5	33%	0.331	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-97.3	-1.9	177.7	0	0	0	0	0	113.4	V73 T74 T78	V73-A76 HydrophobicContact CB-CB 4.19Å; V73-A76 HydrophobicContact CG1-CB 3.81Å; V73-A76 PolarHBondContact O-N 3.04Å; T74-A76 PolarHBondContact O-N 2.77Å; A76-T78 PolarHBondContact O-N 3.25Å; A76-T78 VanDerWaalsContact O-N 3.13Å; A76-T78 PolarHBondContact O-OG1 2.98Å
77	S	97.8	Very high	98	Very high	43 Å²	43	44.1 Å²	44.1	30%	0.301	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	39.8	-171.8	-61.2	0	0	0	0	113.2	T24 V73 T74	T24-S77 PolarHBondContact N-O 2.78Å; T24-S77 WeakPolarHBondContact O-CB 3.32Å; T24-S77 PolarHBondContact OG1-O 3.05Å; V73-S77 PolarHBondContact O-N 2.87Å; V73-S77 VanDerWaalsContact O-N 3.11Å; T74-S77 PolarHBondContact O-N 2.96Å
78	T	98.7	Very high	97.9	Very high	9 Å²	9	48.4 Å²	48.4	6%	0.055	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125.4	-171.2	-57.2	0	0	0	0	110.8	C22 K23 A72 V73 A76 Y80	C22-T78 WeakPolarHBondContact O-CA 3.34Å; K23-T78 HydrophobicContact CB-CG2 4.38Å; A72-T78 WeakPolarHBondContact CA-O 3.02Å; V73-T78 PolarHBondContact N-O 3.31Å; V73-T78 PolarHBondContact O-N 2.96Å; A76-T78 PolarHBondContact O-N 3.25Å; A76-T78 VanDerWaalsContact O-N 3.13Å; A76-T78 PolarHBondContact O-OG1 2.98Å; T78-Y80 HydrophobicContact CG2-CD2 4.29Å; T78-Y80 HydrophobicContact CG2-CE1 3.99Å; T78-Y80 HydrophobicContact CG2-CE2 3.6Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.42Å; T78-Y80 WeakPolarHBondContact CG2-OH 3.22Å
79	A	98.7	Very high	97.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	154.8	169.4	0	0	0	0	0	110.7	S21 C22 F29 M34 W36 I51 T71	S21-A79 CarbonylContact C-O 3.55Å; S21-A79 WeakPolarHBondContact CA-O 3.37Å; C22-A79 PolarHBondContact N-O 2.81Å; C22-A79 PolarHBondContact O-N 3.45Å; F29-A79 HydrophobicContact CE2-CB 4.3Å; F29-A79 HydrophobicContact CZ-CB 4.12Å; M34-A79 HydrophobicContact CB-CB 4.25Å; M34-A79 HydrophobicContact CG-CB 3.65Å; W36-A79 HydrophobicContact CZ2-CB 4.44Å; I51-A79 HydrophobicContact CG2-CB 4.49Å; T71-A79 CarbonylContact O-C 3.57Å; T71-A79 WeakPolarHBondContact O-CA 3.44Å
80	Y	98.7	Very high	97.5	Very high	55 Å²	55	48.9 Å²	48.9	22%	0.216	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	145.4	178.8	-58.5	-94.1	0	0	0	110.7	K19 M20 S21 L70 T71 V73 T78	K19-Y80 HydrophobicContact CD-CD1 4.5Å; K19-Y80 HydrophobicContact CG-CD1 4.43Å; M20-Y80 WeakPolarHBondContact O-CA 3.31Å; S21-Y80 VanDerWaalsContact CB-CE1 3.41Å; L70-Y80 WeakPolarHBondContact CA-O 3.33Å; T71-Y80 PolarHBondContact N-O 2.8Å; T71-Y80 PolarHBondContact O-N 3.02Å; V73-Y80 HydrophobicContact CB-CE2 4.3Å; V73-Y80 HydrophobicContact CG2-CD2 4.45Å; V73-Y80 HydrophobicContact CG2-CE2 3.8Å; T78-Y80 HydrophobicContact CG2-CD2 4.29Å; T78-Y80 HydrophobicContact CG2-CE1 3.99Å; T78-Y80 HydrophobicContact CG2-CE2 3.6Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.42Å; T78-Y80 WeakPolarHBondContact CG2-OH 3.22Å
81	M	98.6	Very high	97.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125.8	167.5	176.3	170	72.8	0	0	108.9	K19 M20 W36 I48 K69 L70 L83 Y94	K19-M81 WeakPolarHBondContact CA-O 3.49Å; M20-M81 HydrophobicContact CE-CB 4.34Å; M20-M81 HydrophobicContact CE-CE 3.29Å; M20-M81 HydrophobicContact CE-CG 4.12Å; M20-M81 PolarHBondContact N-O 3.01Å; M20-M81 PolarHBondContact O-N 3.35Å; M20-M81 HydrophobicContact SD-CE 3.99Å; W36-M81 HydrophobicContact CB-CE 4.25Å; W36-M81 HydrophobicContact CB-SD 3.66Å; W36-M81 HydrophobicContact CD2-CB 3.66Å; W36-M81 HydrophobicContact CD2-CE 4.09Å; W36-M81 HydrophobicContact CD2-CG 4.47Å; W36-M81 HydrophobicContact CD2-SD 4.01Å; W36-M81 HydrophobicContact CE3-CB 4.01Å; W36-M81 HydrophobicContact CE3-CE 3.65Å; W36-M81 HydrophobicContact CE3-SD 4.2Å; W36-M81 HydrophobicContact CG-CB 4.09Å; W36-M81 HydrophobicContact CG-CE 4.37Å; W36-M81 HydrophobicContact CG-SD 3.8Å; W36-M81 HydrophobicContact CH2-CB 4.24Å; W36-M81 HydrophobicContact CZ2-CB 3.95Å; W36-M81 HydrophobicContact CZ3-CB 4.28Å; W36-M81 HydrophobicContact CZ3-CE 4.31Å; I48-M81 HydrophobicContact CB-SD 4.46Å; I48-M81 HydrophobicContact CD1-CE 3.71Å; I48-M81 HydrophobicContact CD1-SD 3.73Å; I48-M81 HydrophobicContact CG2-SD 3.83Å; K69-M81 WeakPolarHBondContact O-CA 3.16Å; L70-M81 HydrophobicContact CD2-CB 3.73Å; L70-M81 HydrophobicContact CD2-CG 3.67Å; L70-M81 HydrophobicContact CD2-SD 4.02Å; M81-L83 HydrophobicContact CE-CD1 4.44Å; M81-L83 HydrophobicContact CE-CG 4.5Å; M81-L83 HydrophobicContact CG-CD2 4.5Å; M81-L83 HydrophobicContact CG-CG 4.49Å; M81-L83 HydrophobicContact SD-CD2 4.39Å; M81-Y94 HydrophobicContact CE-CD1 3.53Å; M81-Y94 HydrophobicContact CE-CE1 4.24Å; M81-Y94 HydrophobicContact CE-CG 4.1Å
82	E	98.7	Very high	97.4	Very high	72 Å²	72	52 Å²	52	34%	0.336	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.2	169.2	-174.8	174.9	-169.8	0	0	109.2	V18 A68 K69	V18-E82 CarbonylContact O-C 3.59Å; V18-E82 VanDerWaalsContact O-CA 3.28Å; V18-E82 WeakPolarHBondContact O-CA 3.17Å; A68-E82 CarbonylContact C-O 3.41Å; A68-E82 VanDerWaalsContact CA-O 3.31Å; A68-E82 WeakPolarHBondContact CA-O 3.45Å; K69-E82 HydrophobicContact CB-CB 4.39Å; K69-E82 PolarHBondContact N-O 2.95Å; K69-E82 PolarHBondContact O-N 3.06Å
83	L	98.4	Very high	97.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.6	170.5	-66.4	175.2	0	0	0	108.2	S17 V18 M20 K67 A68 M81 L86 Y94	S17-L83 CarbonylContact C-O 3.51Å; S17-L83 WeakPolarHBondContact CA-O 3.48Å; S17-L83 WeakPolarHBondContact CB-O 3.49Å; V18-L83 HydrophobicContact CG1-CB 4.08Å; V18-L83 PolarHBondContact N-O 3.45Å; V18-L83 PolarHBondContact O-N 3.11Å; M20-L83 HydrophobicContact CE-CD1 3.83Å; M20-L83 HydrophobicContact CE-CG 3.94Å; K67-L83 WeakPolarHBondContact O-CA 3.31Å; A68-L83 HydrophobicContact CB-CD2 3.77Å; M81-L83 HydrophobicContact CE-CD1 4.44Å; M81-L83 HydrophobicContact CE-CG 4.5Å; M81-L83 HydrophobicContact CG-CD2 4.5Å; M81-L83 HydrophobicContact CG-CG 4.49Å; M81-L83 HydrophobicContact SD-CD2 4.39Å; L83-L86 HydrophobicContact CB-CD2 3.85Å; L83-L86 HydrophobicContact CD1-CD2 4.44Å; L83-Y94 HydrophobicContact CD1-CD1 4.27Å; L83-Y94 HydrophobicContact CD1-CE1 3.53Å; L83-Y94 HydrophobicContact CD1-CE2 4.24Å
84	S	97.5	Very high	97.3	Very high	37 Å²	37	52.8 Å²	52.8	26%	0.259	32%	0.317	S	S	.	.			trans	-109.8	162.2	178.2	68	0	0	0	0	111.9	S17 K67 L86	S17-S84 WeakPolarHBondContact OG-CA 3.14Å; K67-S84 PolarHBondContact O-N 2.87Å; K67-S84 PolarHBondContact O-OG 2.02Å; S84-L86 VanDerWaalsContact C-N 3.33Å; S84-L86 PolarHBondContact O-N 3.44Å
85	S	97.1	Very high	97.4	Very high	81 Å²	81	53.4 Å²	53.4	57%	0.566	31%	0.312	S	S	*	.	S	Bend	trans	51.8	50.9	175.4	-51.6	0	0	0	0	112.4	A16	A16-S85 PolarHBondContact O-N 2.88Å
86	L	97.8	Very high	97.5	Very high	18 Å²	18	48.3 Å²	48.3	9%	0.094	28%	0.276	C	S	.	.			trans	-57.1	141.9	-173.1	-69.2	171.2	0	0	0	112.1	A12 P14 G15 A16 V18 L83 S84 D90	A12-L86 HydrophobicContact CB-CD1 3.66Å; P14-L86 CarbonylContact C-O 3.48Å; P14-L86 VanDerWaalsContact CA-O 3.28Å; P14-L86 WeakPolarHBondContact CA-O 3.36Å; G15-L86 PolarHBondContact N-O 2.99Å; A16-L86 VanDerWaalsContact O-CG 3.25Å; A16-L86 WeakPolarHBondContact O-CG 3.36Å; A16-L86 PolarHBondContact O-N 2.92Å; V18-L86 HydrophobicContact CB-CD1 4.23Å; V18-L86 HydrophobicContact CG1-CD1 3.97Å; V18-L86 HydrophobicContact CG1-CD2 4.18Å; L83-L86 HydrophobicContact CB-CD2 3.85Å; L83-L86 HydrophobicContact CD1-CD2 4.44Å; S84-L86 VanDerWaalsContact C-N 3.33Å; S84-L86 PolarHBondContact O-N 3.44Å; L86-D90 WeakPolarHBondContact CA-OD2 3.47Å; L86-D90 HydrophobicContact CD2-CB 3.78Å
87	T	96.8	Very high	97.4	Very high	65 Å²	65	49.3 Å²	49.3	40%	0.399	28%	0.278	S	S	.	.			trans	-120.5	169.1	171.7	70.3	0	0	0	0	109.7	E89 D90	T87-E89 PolarHBondContact O-N 2.79Å; T87-E89 VanDerWaalsContact O-N 3.11Å; T87-E89 PolarHBondContact OG1-N 3.42Å; T87-D90 PolarHBondContact N-OD2 3.36Å; T87-D90 WeakPolarHBondContact O-CB 3.42Å; T87-D90 PolarHBondContact O-N 3.25Å
88	N	94.7	Very high	97.1	Very high	137 Å²	137	52.9 Å²	52.9	73%	0.733	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-57.3	-27.8	176.3	-66.3	-22.1	0	0	0	112.3	D90 S91	N88-D90 PolarHBondContact O-N 3.22Å; N88-S91 PolarHBondContact O-N 3.13Å
89	E	93.4	Very high	97	Very high	127 Å²	127	55.1 Å²	55.1	59%	0.593	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-68.7	-15.2	177.3	-63	-172.5	-166.5	0	0	113.8	K38 R40 T87 S91	K38-E89 VanDerWaalsContact CE-O 3.29Å; K38-E89 WeakPolarHBondContact CE-O 3.15Å; K38-E89 PolarHBondContact NZ-O 2.85Å; R40-E89 IonicContact NH1-OE2 3.83Å; T87-E89 PolarHBondContact O-N 2.79Å; T87-E89 VanDerWaalsContact O-N 3.11Å; T87-E89 PolarHBondContact OG1-N 3.42Å; E89-S91 VanDerWaalsContact C-N 3.31Å
90	D	96.4	Very high	96.9	Very high	13 Å²	13	58 Å²	58	7%	0.07	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-83.8	-5.1	177.2	-58.9	-44.1	0	0	0	113.7	K38 K67 L86 T87 N88 A92 Y94	K38-D90 IonicContact NZ-OD1 3.38Å; K38-D90 PolarHBondContact NZ-OD1 3.43Å; K67-D90 VanDerWaalsContact CE-CG 3.5Å; K67-D90 WeakPolarHBondContact CE-OD1 3.48Å; K67-D90 WeakPolarHBondContact CE-OD2 3.48Å; K67-D90 IonicContact NZ-OD1 2.77Å; K67-D90 PolarHBondContact NZ-OD1 2.83Å; K67-D90 IonicContact NZ-OD2 2.59Å; K67-D90 PolarHBondContact NZ-OD2 3.28Å; L86-D90 WeakPolarHBondContact CA-OD2 3.47Å; L86-D90 HydrophobicContact CD2-CB 3.78Å; T87-D90 PolarHBondContact N-OD2 3.36Å; T87-D90 WeakPolarHBondContact O-CB 3.42Å; T87-D90 PolarHBondContact O-N 3.25Å; N88-D90 PolarHBondContact O-N 3.22Å; D90-A92 PolarHBondContact O-N 3.14Å; D90-Y94 WeakPolarHBondContact CA-OH 3.44Å; D90-Y94 WeakPolarHBondContact O-CE2 3.42Å; D90-Y94 PolarHBondContact O-OH 3.09Å
91	S	96.5	Very high	96.8	Very high	98 Å²	98	58.2 Å²	58.2	69%	0.685	32%	0.317	S	S	*	.			trans	-66.5	107.4	169.9	-168	0	0	0	0	109.6	N88 E89	N88-S91 PolarHBondContact O-N 3.13Å; E89-S91 VanDerWaalsContact C-N 3.31Å
92	A	97.2	Very high	96.7	Very high	28 Å²	28	61.6 Å²	61.6	23%	0.231	34%	0.336	C	S	.	.	S	Bend	trans	-164.8	167.3	-172.3	0	0	0	0	0	109.9	K38 Q39 R40 D90 Y94	K38-A92 HydrophobicContact CD-CB 4.21Å; K38-A92 HydrophobicContact CG-CB 3.54Å; Q39-A92 WeakPolarHBondContact O-CA 3.38Å; Q39-A92 WeakPolarHBondContact O-CB 3.28Å; R40-A92 HydrophobicContact CG-CB 3.93Å; D90-A92 PolarHBondContact O-N 3.14Å; A92-Y94 HydrophobicContact CB-CE2 3.91Å
93	V	97.7	Very high	96.6	Very high	74 Å²	74	60.9 Å²	60.9	45%	0.448	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	136.9	160.9	-170.8	0	0	0	0	108.2	Q39 Y95	Q39-V93 PolarHBondContact N-O 2.91Å; Q39-V93 PolarHBondContact O-N 3.31Å; V93-Y95 HydrophobicContact CB-CE2 3.9Å; V93-Y95 HydrophobicContact CG1-CD1 4.44Å; V93-Y95 HydrophobicContact CG1-CD2 4.28Å; V93-Y95 HydrophobicContact CG1-CE1 3.78Å; V93-Y95 HydrophobicContact CG1-CE2 3.59Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.17Å
94	Y	98.2	Very high	96.4	Very high	27 Å²	27	65 Å²	65	11%	0.106	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.9	176.3	-66.2	-90.4	0	0	0	108.7	Q6 M20 V37 K38 I48 M81 L83 D90 A92	Q6-Y94 PolarHBondContact NE2-O 3.08Å; M20-Y94 HydrophobicContact SD-CD2 4Å; M20-Y94 HydrophobicContact SD-CG 3.84Å; V37-Y94 CarbonylContact O-C 3.56Å; V37-Y94 WeakPolarHBondContact O-CA 3.47Å; K38-Y94 HydrophobicContact CB-CD1 4.15Å; K38-Y94 HydrophobicContact CB-CE1 3.92Å; K38-Y94 HydrophobicContact CD-CE1 3.94Å; K38-Y94 WeakPolarHBondContact CE-OH 3.43Å; K38-Y94 HydrophobicContact CG-CD1 4.27Å; K38-Y94 HydrophobicContact CG-CE1 3.7Å; I48-Y94 HydrophobicContact CD1-CD1 3.64Å; I48-Y94 HydrophobicContact CD1-CE1 3.84Å; M81-Y94 HydrophobicContact CE-CD1 3.53Å; M81-Y94 HydrophobicContact CE-CE1 4.24Å; M81-Y94 HydrophobicContact CE-CG 4.1Å; L83-Y94 HydrophobicContact CD1-CD1 4.27Å; L83-Y94 HydrophobicContact CD1-CE1 3.53Å; L83-Y94 HydrophobicContact CD1-CE2 4.24Å; D90-Y94 WeakPolarHBondContact CA-OH 3.44Å; D90-Y94 WeakPolarHBondContact O-CE2 3.42Å; D90-Y94 PolarHBondContact O-OH 3.09Å; A92-Y94 HydrophobicContact CB-CE2 3.91Å
95	Y	98.2	Very high	96.4	Very high	85 Å²	85	67 Å²	67	33%	0.333	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137.4	179.6	-60.8	-79	0	0	0	109.7	W36 V37 Q39 V93	W36-Y95 CarbonylContact C-O 3.5Å; W36-Y95 WeakPolarHBondContact CA-O 3.29Å; V37-Y95 PolarHBondContact N-O 3.09Å; V37-Y95 PolarHBondContact O-N 3.1Å; Q39-Y95 HydrophobicContact CB-CD2 4.39Å; Q39-Y95 HydrophobicContact CB-CE2 3.86Å; Q39-Y95 PolarHBondContact OE1-OH 3.01Å; V93-Y95 HydrophobicContact CB-CE2 3.9Å; V93-Y95 HydrophobicContact CG1-CD1 4.44Å; V93-Y95 HydrophobicContact CG1-CD2 4.28Å; V93-Y95 HydrophobicContact CG1-CE1 3.78Å; V93-Y95 HydrophobicContact CG1-CE2 3.59Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.17Å
96	C	98.4	Very high	96.3	Very high	6 Å²	6	65.9 Å²	65.9	4%	0.041	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	141.4	158.8	63.4	0	0	0	0	109	L4 Q6 C22 M34 H35 W36	L4-C96 WeakPolarHBondContact CD2-O 3.42Å; Q6-C96 WeakPolarHBondContact CG-SG 3.5Å; C22-C96 HydrophobicContact CB-CB 3.43Å; C22-C96 VanDerWaalsContact CB-CB 3.43Å; C22-C96 WeakPolarHBondContact CB-SG 3.48Å; C22-C96 WeakPolarHBondContact SG-CB 3.34Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 3.11Å; M34-C96 HydrophobicContact SD-CB 3.85Å; H35-C96 CarbonylContact O-C 3.52Å; H35-C96 VanDerWaalsContact O-CA 3.28Å; H35-C96 WeakPolarHBondContact O-CA 3.32Å; W36-C96 HydrophobicContact CD2-CB 4.18Å; W36-C96 HydrophobicContact CE3-CB 3.96Å; W36-C96 HydrophobicContact CH2-CB 3.97Å; W36-C96 HydrophobicContact CZ2-CB 4.15Å; W36-C96 HydrophobicContact CZ3-CB 3.86Å
97	T	96.8	Very high	96.2	Very high	60 Å²	60	69.9 Å²	69.9	37%	0.368	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	148.8	-178.7	65.4	0	0	0	0	111	H35	H35-T97 WeakPolarHBondContact CB-OG1 3.25Å; H35-T97 PolarHBondContact N-O 3.21Å; H35-T97 PolarHBondContact O-N 3.2Å
98	R	89.9	Confident	96.1	Very high	119 Å²	119	70.4 Å²	70.4	45%	0.449	37%	0.369	S	S	.	.			trans	-136.1	0	177.1	-177.7	-128.2	69.4	132.6	-8.8	111.5	L4 Y27 M34	L4-R98 HydrophobicContact CD2-CB 4.43Å; Y27-R98 VanDerWaalsContact CE1-CD 3.48Å; Y27-R98 HydrophobicContact CE1-CG 4.45Å; Y27-R98 HydrophobicContact CE2-CG 3.93Å; M34-R98 HydrophobicContact CE-CB 3.85Å; M34-R98 HydrophobicContact CE-CG 4.47Å

Retrieved 98 of 98 residues in 137.5 ms (Link to these results)

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