X5J5N2_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5N2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 106 aa.

						>X5J5N2_MOUSE|X5J5N2
RPGSSVKLSCKASGYTFTSYWMHWVKQRPIQGLEWIGNIDPSDSETHYNQKFKDKAPLTADKSSSPAYMQLSSLTFEDSAVYYCARTTVVPPMDYWGQGTSVTVSS
					

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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	R	91.6	Very high	96	Very high	208 Å²	208	79.5 Å²	79.5	79%	0.785	43%	0.432	S	S	*	.				0	149.1	0	-71	-177.4	176.9	168.6	0.3	109.1	S4	R1-S4 PolarHBondContact N-OG 3.01Å; R1-S4 WeakPolarHBondContact O-CB 3.4Å; R1-S4 PolarHBondContact O-N 3.5Å; R1-S4 PolarHBondContact O-OG 3.27Å
2	P	96.1	Very high	95.4	Very high	63 Å²	63	73.9 Å²	73.9	41%	0.409	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	144.3	173.5	-25.3	34.3	0	0	0	111.7	S4 L74 F76 V104 S105	P2-S4 PolarHBondContact O-N 3.02Å; P2-L74 CarbonylContact C-O 3.47Å; P2-L74 VanDerWaalsContact CA-O 3.28Å; P2-L74 WeakPolarHBondContact CA-O 3.47Å; P2-F76 HydrophobicContact CG-CE1 4.4Å; P2-F76 HydrophobicContact CG-CE2 4.02Å; P2-F76 HydrophobicContact CG-CZ 3.83Å; P2-V104 HydrophobicContact CG-CG1 4.07Å; P2-S105 WeakPolarHBondContact CD-O 3.4Å
3	G	95.6	Very high	94.9	Very high	54 Å²	54	76.5 Å²	76.5	56%	0.557	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	-14.4	-178.5	0	0	0	0	0	115.6	L74	G3-L74 PolarHBondContact N-O 2.94Å
4	S	96.1	Very high	94.4	Very high	45 Å²	45	77 Å²	77	32%	0.315	46%	0.463	S	S	.	.			trans	-73.1	164.1	174.9	67.4	0	0	0	0	112.3	R1 P2 S73 L74	R1-S4 PolarHBondContact N-OG 3.01Å; R1-S4 WeakPolarHBondContact O-CB 3.4Å; R1-S4 PolarHBondContact O-N 3.5Å; R1-S4 PolarHBondContact O-OG 3.27Å; P2-S4 PolarHBondContact O-N 3.02Å; S4-S73 PolarHBondContact O-N 2.73Å; S4-L74 VanDerWaalsContact O-CB 3.28Å; S4-L74 WeakPolarHBondContact O-CB 3.47Å; S4-L74 VanDerWaalsContact O-CG 3.24Å; S4-L74 WeakPolarHBondContact O-CG 3.42Å; S4-L74 PolarHBondContact O-N 2.77Å
5	S	96.9	Very high	94	Very high	61 Å²	61	75.8 Å²	75.8	43%	0.427	45%	0.447	S	S	.	.			trans	-118.7	147.2	175.1	-55.9	0	0	0	0	110.2	L71 S72 S73	S5-L71 CarbonylContact C-O 3.59Å; S5-L71 WeakPolarHBondContact CA-O 3.17Å; S5-L71 WeakPolarHBondContact CB-O 3.24Å; S5-S72 WeakPolarHBondContact OG-CA 3.25Å; S5-S73 PolarHBondContact OG-N 3.2Å
6	V	97.3	Very high	93.8	Very high	48 Å²	48	76.5 Å²	76.5	29%	0.291	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	144.6	175.4	-62.2	0	0	0	0	110.2	Q70 L71 L74 V102	V6-Q70 CarbonylContact O-C 3.5Å; V6-Q70 WeakPolarHBondContact O-CA 3.49Å; V6-L71 HydrophobicContact CG2-CB 3.94Å; V6-L71 HydrophobicContact CG2-CD1 4.08Å; V6-L71 HydrophobicContact CG2-CG 4.5Å; V6-L71 PolarHBondContact N-O 2.82Å; V6-L71 PolarHBondContact O-N 2.99Å; V6-L74 HydrophobicContact CB-CD1 4.47Å; V6-L74 HydrophobicContact CG1-CD1 3.85Å; V6-L74 HydrophobicContact CG2-CD1 3.97Å; V6-V102 HydrophobicContact CG2-CG1 4.34Å; V6-V102 HydrophobicContact CG2-CG2 4.48Å
7	K	97.7	Very high	93.7	Very high	122 Å²	122	72.3 Å²	72.3	53%	0.53	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.8	174.9	-171.6	175.6	-178.5	179.5	0	108.9	Y68	K7-Y68 HydrophobicContact CD-CD1 4.28Å; K7-Y68 VanDerWaalsContact CE-CB 3.41Å; K7-Y68 VanDerWaalsContact CE-CD1 3.41Å; K7-Y68 HydrophobicContact CG-CD1 4.28Å
8	L	97.9	Very high	93.6	Very high	16 Å²	16	71.2 Å²	71.2	8%	0.084	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	142.4	173.4	-56.3	-174.1	0	0	0	109	W24 Y68 M69 L71 Y82 T100 V102	L8-W24 HydrophobicContact CB-CH2 3.98Å; L8-W24 HydrophobicContact CB-CZ3 3.87Å; L8-W24 HydrophobicContact CD1-CZ3 4.45Å; L8-Y68 WeakPolarHBondContact O-CA 3.47Å; L8-M69 HydrophobicContact CD1-CE 3.69Å; L8-M69 HydrophobicContact CG-CE 4.49Å; L8-M69 PolarHBondContact N-O 3.45Å; L8-M69 PolarHBondContact O-N 3.25Å; L8-L71 HydrophobicContact CD1-CD1 4.23Å; L8-Y82 HydrophobicContact CD1-CD1 4.45Å; L8-Y82 HydrophobicContact CD1-CD2 4.2Å; L8-Y82 HydrophobicContact CD1-CG 3.82Å; L8-T100 HydrophobicContact CD2-CG2 4.09Å; L8-V102 HydrophobicContact CD1-CG2 4.14Å; L8-V102 HydrophobicContact CD2-CG2 4Å
9	S	96.9	Very high	93.5	Very high	79 Å²	79	71.4 Å²	71.4	55%	0.552	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	145.6	176.1	62.3	0	0	0	0	110.6	A67 Y68	S9-A67 CarbonylContact C-O 3.54Å; S9-A67 WeakPolarHBondContact CA-O 3.27Å; S9-Y68 VanDerWaalsContact CB-CD1 3.5Å
10	C	95.7	Very high	93.3	Very high	13 Å²	13	71.4 Å²	71.4	9%	0.088	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	107.2	172.5	-179.1	0	0	0	0	108.5	W24 P66 A67 C84	C10-W24 HydrophobicContact CB-CH2 3.87Å; C10-W24 HydrophobicContact CB-CZ2 3.95Å; C10-P66 CarbonylContact O-C 3.57Å; C10-P66 VanDerWaalsContact O-CA 3.23Å; C10-P66 WeakPolarHBondContact O-CA 3.13Å; C10-A67 PolarHBondContact N-O 2.97Å; C10-A67 PolarHBondContact O-N 2.88Å; C10-C84 HydrophobicContact CB-CB 3.4Å; C10-C84 VanDerWaalsContact CB-CB 3.4Å; C10-C84 WeakPolarHBondContact CB-SG 3.39Å; C10-C84 WeakPolarHBondContact SG-CB 3.29Å; C10-C84 CovalentContact SG-SG 2.02Å; C10-C84 PolarHBondContact SG-SG 3.01Å
11	K	94	Very high	93.3	Very high	165 Å²	165	70.7 Å²	70.7	72%	0.717	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	125.9	-177.7	-171.8	176.1	-178	178.8	0	110.3
12	A	89.4	Confident	93.4	Very high	13 Å²	13	61 Å²	61	11%	0.107	37%	0.373	C	S	.	.			trans	-72.5	145.2	172.5	0	0	0	0	0	111.5	Y15 F17 S65	A12-Y15 HydrophobicContact CB-CE1 3.79Å; A12-Y15 HydrophobicContact CB-CE2 3.87Å; A12-Y15 VanDerWaalsContact CB-OH 3.3Å; A12-Y15 WeakPolarHBondContact CB-OH 3.24Å; A12-F17 HydrophobicContact CB-CB 3.84Å; A12-F17 HydrophobicContact CB-CD2 3.5Å; A12-F17 VanDerWaalsContact CB-CD2 3.5Å; A12-F17 HydrophobicContact CB-CE2 4.34Å; A12-F17 HydrophobicContact CB-CG 3.93Å; A12-S65 WeakPolarHBondContact CB-O 3.47Å; A12-S65 PolarHBondContact N-O 3.07Å
13	S	88.5	Confident	93.4	Very high	107 Å²	107	58.8 Å²	58.8	75%	0.748	36%	0.358	S	S	*	.			trans	-148.2	135.3	175.7	-178.1	0	0	0	0	110.1	Y15	S13-Y15 WeakPolarHBondContact O-CD1 3.46Å
14	G	88.6	Confident	93.5	Very high	84 Å²	84	56.4 Å²	56.4	87%	0.866	33%	0.332	S	S	*	.	S	Bend	trans	78.4	16.8	175.8	0	0	0	0	0	115.6
15	Y	87.4	Confident	93.6	Very high	59 Å²	59	54.5 Å²	54.5	23%	0.231	32%	0.318	C	S	.	.	S	Bend	trans	-158.8	164	175.6	64.4	-85.3	0	0	0	112.1	A12 S13 F17 Y20 M22 R86	A12-Y15 HydrophobicContact CB-CE1 3.79Å; A12-Y15 HydrophobicContact CB-CE2 3.87Å; A12-Y15 VanDerWaalsContact CB-OH 3.3Å; A12-Y15 WeakPolarHBondContact CB-OH 3.24Å; S13-Y15 WeakPolarHBondContact O-CD1 3.46Å; Y15-F17 HydrophobicContact CE2-CD2 4.49Å; Y15-F17 PolarHBondContact O-N 2.75Å; Y15-F17 VanDerWaalsContact O-N 3.15Å; Y15-Y20 AromaticContact CD2-CD2 3.46Å; Y15-Y20 HydrophobicContact CD2-CD2 3.46Å; Y15-Y20 VanDerWaalsContact CD2-CD2 3.46Å; Y15-Y20 AromaticContact CD2-CE2 3.77Å; Y15-Y20 HydrophobicContact CD2-CE2 3.77Å; Y15-Y20 AromaticContact CE2-CD2 3.89Å; Y15-Y20 HydrophobicContact CE2-CD2 3.89Å; Y15-Y20 HydrophobicContact CG-CD2 4.41Å; Y15-Y20 HydrophobicContact CG-CE2 4.33Å; Y15-M22 WeakPolarHBondContact OH-CE 3.39Å; Y15-R86 VanDerWaalsContact CE2-CD 3.4Å; Y15-R86 HydrophobicContact CE2-CG 4.28Å; Y15-R86 VanDerWaalsContact CZ-CD 3.49Å
16	T	91.4	Very high	93.6	Very high	87 Å²	87	51.6 Å²	51.6	53%	0.534	30%	0.298	S	S	.	.			trans	-70.4	104.3	171.8	-53.5	0	0	0	0	109.9	T18 S19 Y20	T16-T18 PolarHBondContact O-N 2.87Å; T16-S19 WeakPolarHBondContact CB-OG 3.14Å; T16-S19 VanDerWaalsContact CG2-OG 3.32Å; T16-S19 WeakPolarHBondContact CG2-OG 3.34Å; T16-S19 WeakPolarHBondContact O-CB 3.31Å; T16-S19 PolarHBondContact O-N 2.76Å; T16-Y20 WeakPolarHBondContact O-CD2 3.37Å
17	F	91.6	Very high	93.5	Very high	5 Å²	5	52.6 Å²	52.6	2%	0.022	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-53.9	-39.6	-173.9	175	-127.6	0	0	0	113.6	A12 Y15 S19 M22 P41 A60 S65 P66 A67	A12-F17 HydrophobicContact CB-CB 3.84Å; A12-F17 HydrophobicContact CB-CD2 3.5Å; A12-F17 VanDerWaalsContact CB-CD2 3.5Å; A12-F17 HydrophobicContact CB-CE2 4.34Å; A12-F17 HydrophobicContact CB-CG 3.93Å; Y15-F17 HydrophobicContact CE2-CD2 4.49Å; Y15-F17 PolarHBondContact O-N 2.75Å; Y15-F17 VanDerWaalsContact O-N 3.15Å; F17-S19 PolarHBondContact O-N 2.72Å; F17-M22 HydrophobicContact CE2-CE 4.03Å; F17-P41 HydrophobicContact CD1-CB 3.81Å; F17-P41 HydrophobicContact CD1-CG 4.38Å; F17-P41 HydrophobicContact CD2-CB 4.4Å; F17-P41 HydrophobicContact CD2-CG 4.08Å; F17-P41 HydrophobicContact CE1-CB 3.46Å; F17-P41 VanDerWaalsContact CE1-CB 3.46Å; F17-P41 HydrophobicContact CE1-CG 3.99Å; F17-P41 HydrophobicContact CE2-CB 4.08Å; F17-P41 HydrophobicContact CE2-CG 3.65Å; F17-P41 HydrophobicContact CG-CB 4.3Å; F17-P41 HydrophobicContact CG-CG 4.44Å; F17-P41 HydrophobicContact CZ-CB 3.6Å; F17-P41 HydrophobicContact CZ-CG 3.6Å; F17-A60 HydrophobicContact CE1-CB 4.19Å; F17-A60 HydrophobicContact CZ-CB 4.13Å; F17-S65 VanDerWaalsContact CD1-CA 3.48Å; F17-P66 VanDerWaalsContact CZ-C 3.47Å; F17-A67 HydrophobicContact CE2-CB 4.27Å; F17-A67 HydrophobicContact CZ-CB 3.95Å
18	T	92.6	Very high	93.3	Very high	53 Å²	53	48.2 Å²	48.2	33%	0.325	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-76.6	-1.9	-179.2	56.7	0	0	0	0	114.5	T16 P41 S42 K62	T16-T18 PolarHBondContact O-N 2.87Å; T18-P41 HydrophobicContact CG2-CB 4.47Å; T18-S42 WeakPolarHBondContact O-CB 3.44Å; T18-K62 HydrophobicContact CG2-CB 4.49Å
19	S	90.8	Very high	92.5	Very high	75 Å²	75	53.7 Å²	53.7	52%	0.524	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-90	-1.7	178.1	-59.5	0	0	0	0	113.5	T16 F17	T16-S19 WeakPolarHBondContact CB-OG 3.14Å; T16-S19 VanDerWaalsContact CG2-OG 3.32Å; T16-S19 WeakPolarHBondContact CG2-OG 3.34Å; T16-S19 WeakPolarHBondContact O-CB 3.31Å; T16-S19 PolarHBondContact O-N 2.76Å; F17-S19 PolarHBondContact O-N 2.72Å
20	Y	90.2	Very high	91.8	Very high	71 Å²	71	58 Å²	58	28%	0.278	33%	0.331	S	S	.	.	S	Bend	trans	-143.2	144	-171.7	-56.8	-77.7	0	0	0	112.2	Y15 T16 P41 R86 T87 T88	Y15-Y20 AromaticContact CD2-CD2 3.46Å; Y15-Y20 HydrophobicContact CD2-CD2 3.46Å; Y15-Y20 VanDerWaalsContact CD2-CD2 3.46Å; Y15-Y20 AromaticContact CD2-CE2 3.77Å; Y15-Y20 HydrophobicContact CD2-CE2 3.77Å; Y15-Y20 AromaticContact CE2-CD2 3.89Å; Y15-Y20 HydrophobicContact CE2-CD2 3.89Å; Y15-Y20 HydrophobicContact CG-CD2 4.41Å; Y15-Y20 HydrophobicContact CG-CE2 4.33Å; T16-Y20 WeakPolarHBondContact O-CD2 3.37Å; Y20-P41 WeakPolarHBondContact O-CD 3.44Å; Y20-P41 WeakPolarHBondContact O-CG 3.28Å; Y20-R86 VanDerWaalsContact CB-CG 3.48Å; Y20-R86 HydrophobicContact CD1-CG 4.31Å; Y20-R86 HydrophobicContact CD2-CG 4.36Å; Y20-R86 HydrophobicContact CG-CG 3.8Å; Y20-T87 VanDerWaalsContact CD1-O 3.28Å; Y20-T87 WeakPolarHBondContact CD1-O 3.25Å; Y20-T88 HydrophobicContact CD1-CG2 3.66Å; Y20-T88 HydrophobicContact CE1-CG2 3.22Å
21	W	92.9	Very high	91.3	Very high	56 Å²	56	63.5 Å²	63.5	21%	0.212	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	139.4	170.8	-71.1	63.3	0	0	0	110.5	N38 D40 E45 H47 T87	W21-N38 HydrophobicContact CE3-CB 3.97Å; W21-N38 VanDerWaalsContact CE3-OD1 3.29Å; W21-N38 WeakPolarHBondContact CZ3-OD1 3.04Å; W21-D40 HydrophobicContact CD2-CB 3.89Å; W21-D40 HydrophobicContact CE3-CB 4.14Å; W21-D40 HydrophobicContact CG-CB 4.48Å; W21-D40 HydrophobicContact CH2-CB 4.05Å; W21-D40 HydrophobicContact CZ2-CB 3.74Å; W21-D40 HydrophobicContact CZ3-CB 4.22Å; W21-D40 PolarHBondContact NE1-OD2 2.84Å; W21-E45 HydrophobicContact CH2-CB 4.11Å; W21-E45 HydrophobicContact CH2-CG 3.93Å; W21-H47 AromaticContact CH2-CE1 3.38Å; W21-H47 WeakPolarHBondContact CH2-CE1 3.01Å; W21-H47 AromaticContact CH2-ND1 3.9Å; W21-H47 AromaticContact CH2-NE2 3.66Å; W21-H47 AromaticContact CZ3-CE1 3.78Å; W21-H47 AromaticContact CZ3-ND1 3.8Å; W21-T87 HydrophobicContact CB-CG2 4.25Å; W21-T87 PolarHBondContact O-N 2.92Å
22	M	94.8	Very high	91.1	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.02	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	113	173.6	-173.1	63.9	69.2	0	0	109.9	Y15 F17 N38 I39 A67 C84	Y15-M22 WeakPolarHBondContact OH-CE 3.39Å; F17-M22 HydrophobicContact CE2-CE 4.03Å; M22-N38 CarbonylContact O-C 3.5Å; M22-N38 WeakPolarHBondContact O-CA 3.43Å; M22-N38 WeakPolarHBondContact O-CB 3.41Å; M22-I39 HydrophobicContact CB-CG2 4.03Å; M22-I39 PolarHBondContact N-O 3.08Å; M22-I39 PolarHBondContact O-N 3.1Å; M22-A67 HydrophobicContact CB-CB 4.08Å; M22-A67 HydrophobicContact CG-CB 3.67Å; M22-C84 HydrophobicContact CG-CB 4.43Å; M22-C84 HydrophobicContact SD-CB 3.75Å
23	H	95.9	Very high	91.3	Very high	17 Å²	17	61.3 Å²	61.3	8%	0.079	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	148	176.8	-62.6	-104.5	0	0	0	110.8	W35 G37 N38 C84 A85 T87 M93	H23-W35 AromaticContact CG-NE1 3.97Å; H23-W35 AromaticContact ND1-NE1 3.23Å; H23-W35 PolarHBondContact ND1-NE1 3.06Å; H23-G37 WeakPolarHBondContact CA-O 3.49Å; H23-N38 HydrophobicContact CB-CB 4.37Å; H23-N38 PolarHBondContact CE1-ND2 2.92Å; H23-N38 VanDerWaalsContact CE1-ND2 3.29Å; H23-C84 CarbonylContact O-C 3.57Å; H23-C84 WeakPolarHBondContact O-CA 3.49Å; H23-A85 HydrophobicContact CB-CB 4.46Å; H23-A85 PolarHBondContact N-O 2.85Å; H23-A85 PolarHBondContact O-N 3.49Å; H23-T87 WeakPolarHBondContact NE2-CG2 2.96Å; H23-M93 HydrophobicContact CB-CE 3.8Å; H23-M93 HydrophobicContact CB-SD 4.09Å; H23-M93 VanDerWaalsContact ND1-CE 3.28Å; H23-M93 WeakPolarHBondContact ND1-CE 3.06Å
24	W	97.4	Very high	91.6	Very high	5 Å²	5	57.9 Å²	57.9	2%	0.019	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	134	171	-69.9	89.6	0	0	0	110.1	L8 C10 I36 G37 L58 A67 M69 Y83 C84	L8-W24 HydrophobicContact CB-CH2 3.98Å; L8-W24 HydrophobicContact CB-CZ3 3.87Å; L8-W24 HydrophobicContact CD1-CZ3 4.45Å; C10-W24 HydrophobicContact CB-CH2 3.87Å; C10-W24 HydrophobicContact CB-CZ2 3.95Å; W24-I36 HydrophobicContact CB-CB 4.11Å; W24-I36 HydrophobicContact CB-CD1 4.3Å; W24-I36 HydrophobicContact CB-CG2 4.44Å; W24-I36 WeakPolarHBondContact O-CB 3.37Å; W24-I36 PolarHBondContact O-N 3.48Å; W24-G37 PolarHBondContact N-O 3.49Å; W24-L58 HydrophobicContact CB-CD2 4.49Å; W24-L58 VanDerWaalsContact CD1-CD2 3.46Å; W24-L58 HydrophobicContact CG-CD2 3.97Å; W24-A67 HydrophobicContact CZ2-CB 4.38Å; W24-M69 HydrophobicContact CB-SD 3.91Å; W24-M69 HydrophobicContact CD2-CB 3.67Å; W24-M69 HydrophobicContact CD2-CE 4.23Å; W24-M69 HydrophobicContact CD2-CG 4.46Å; W24-M69 HydrophobicContact CD2-SD 4.06Å; W24-M69 HydrophobicContact CE3-CB 3.9Å; W24-M69 HydrophobicContact CE3-CE 3.62Å; W24-M69 HydrophobicContact CE3-SD 4.06Å; W24-M69 HydrophobicContact CG-CB 4.2Å; W24-M69 HydrophobicContact CG-SD 4.02Å; W24-M69 HydrophobicContact CH2-CB 4.11Å; W24-M69 HydrophobicContact CZ2-CB 3.91Å; W24-M69 HydrophobicContact CZ3-CB 4.11Å; W24-M69 HydrophobicContact CZ3-CE 4.11Å; W24-Y83 WeakPolarHBondContact CA-O 3.33Å; W24-C84 HydrophobicContact CD2-CB 4.46Å; W24-C84 HydrophobicContact CE3-CB 4.31Å; W24-C84 HydrophobicContact CH2-CB 4.41Å; W24-C84 HydrophobicContact CZ3-CB 4.29Å
25	V	97	Very high	92	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.024	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	133.9	-176.1	-173.8	0	0	0	0	109.7	L33 E34 Y82 Y83 M93 W96	V25-L33 HydrophobicContact CG1-CB 3.83Å; V25-L33 HydrophobicContact CG1-CD2 3.85Å; V25-L33 HydrophobicContact CG1-CG 4.33Å; V25-E34 WeakPolarHBondContact CA-O 3.24Å; V25-E34 WeakPolarHBondContact CG1-O 2.96Å; V25-Y82 CarbonylContact O-C 3.5Å; V25-Y82 WeakPolarHBondContact O-CA 3.39Å; V25-Y83 PolarHBondContact N-O 2.75Å; V25-Y83 PolarHBondContact O-N 2.93Å; V25-M93 HydrophobicContact CG2-SD 4.27Å; V25-W96 HydrophobicContact CB-CH2 4.03Å; V25-W96 HydrophobicContact CB-CZ3 3.83Å; V25-W96 HydrophobicContact CG1-CH2 4.07Å; V25-W96 HydrophobicContact CG1-CZ3 4.08Å; V25-W96 HydrophobicContact CG2-CH2 3.67Å; V25-W96 HydrophobicContact CG2-CZ3 3.86Å
26	K	96.9	Very high	92.4	Very high	1 Å²	1	55 Å²	55	0%	0.004	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.5	172.8	-179.3	178.3	-176.7	173	0	109.1	L33 E34 I36 F52 E77 D78 A80 Y82	K26-L33 CarbonylContact O-C 3.59Å; K26-E34 HydrophobicContact CB-CB 4.35Å; K26-E34 PolarHBondContact N-O 3.15Å; K26-E34 PolarHBondContact O-N 2.97Å; K26-I36 HydrophobicContact CB-CD1 4.05Å; K26-I36 HydrophobicContact CB-CG1 4.22Å; K26-F52 HydrophobicContact CD-CE1 4.13Å; K26-F52 HydrophobicContact CD-CZ 4.29Å; K26-E77 WeakPolarHBondContact CE-O 3.23Å; K26-E77 PolarHBondContact NZ-O 3.13Å; K26-D78 IonicContact NZ-OD1 2.75Å; K26-A80 HydrophobicContact CD-CB 4.2Å; K26-A80 HydrophobicContact CG-CB 3.59Å; K26-Y82 HydrophobicContact CB-CD1 4.1Å; K26-Y82 HydrophobicContact CB-CE1 3.88Å; K26-Y82 HydrophobicContact CD-CE1 4Å; K26-Y82 HydrophobicContact CG-CD1 4.31Å; K26-Y82 HydrophobicContact CG-CE1 3.8Å
27	Q	96.8	Very high	92.7	Very high	68 Å²	68	50.9 Å²	50.9	32%	0.318	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.6	171.3	-169.6	-177.7	31.8	0	0	110.4	G32 L33 A80 V81 Y83	Q27-G32 WeakPolarHBondContact CA-O 3.15Å; Q27-L33 HydrophobicContact CB-CD2 3.65Å; Q27-L33 HydrophobicContact CG-CD2 3.74Å; Q27-A80 VanDerWaalsContact O-CB 3.25Å; Q27-A80 WeakPolarHBondContact O-CB 3.49Å; Q27-V81 HydrophobicContact CB-CB 4.44Å; Q27-V81 PolarHBondContact N-O 2.81Å; Q27-V81 PolarHBondContact O-N 3.05Å; Q27-V81 VanDerWaalsContact O-N 3.08Å; Q27-Y83 HydrophobicContact CB-CD2 4.19Å; Q27-Y83 HydrophobicContact CB-CE2 3.59Å; Q27-Y83 HydrophobicContact CG-CE2 4.4Å; Q27-Y83 VanDerWaalsContact OE1-CE2 3.23Å; Q27-Y83 PolarHBondContact OE1-OH 3.01Å
28	R	92.6	Very high	92.9	Very high	31 Å²	31	51.2 Å²	51.2	12%	0.117	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	142.9	170.1	-64.7	-177.3	-166.7	-148.9	-4.4	109.4	I30 Q31 G32 E34 A80	R28-I30 PolarHBondContact O-N 2.91Å; R28-Q31 HydrophobicContact CB-CB 3.91Å; R28-Q31 PolarHBondContact O-N 2.75Å; R28-G32 PolarHBondContact N-O 3.01Å; R28-G32 PolarHBondContact O-N 2.82Å; R28-E34 WeakPolarHBondContact CD-OE1 3.47Å; R28-E34 IonicContact CZ-OE1 2.74Å; R28-E34 IonicContact NE-OE1 2.76Å; R28-E34 PolarHBondContact NE-OE1 2.72Å; R28-E34 IonicContact NH2-OE1 3.72Å; R28-A80 HydrophobicContact CG-CB 4.45Å
29	P	80.8	Confident	93	Very high	131 Å²	131	48.8 Å²	48.8	85%	0.851	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-30.1	-177.1	-28.8	34.9	0	0	0	115.1
30	I	83.4	Confident	93.2	Very high	169 Å²	169	46.3 Å²	46.3	87%	0.867	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.3	-33	-176.1	-57.4	173.8	0	0	0	112.4	R28	R28-I30 PolarHBondContact O-N 2.91Å
31	Q	83.6	Confident	93.4	Very high	129 Å²	129	42.9 Å²	42.9	60%	0.603	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-1.3	-171.8	-82.9	161.4	-19.3	0	0	113.9	R28	R28-Q31 HydrophobicContact CB-CB 3.91Å; R28-Q31 PolarHBondContact O-N 2.75Å
32	G	90	Very high	93.4	Very high	33 Å²	33	42.7 Å²	42.7	34%	0.34	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	77.4	-153.8	177.4	0	0	0	0	0	113.4	Q27 R28	Q27-G32 WeakPolarHBondContact CA-O 3.15Å; R28-G32 PolarHBondContact N-O 3.01Å; R28-G32 PolarHBondContact O-N 2.82Å
33	L	94.1	Very high	93.4	Very high	99 Å²	99	47 Å²	47	52%	0.518	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	124.2	-179.2	-64	174.7	0	0	0	110.8	V25 K26 Q27 W96	V25-L33 HydrophobicContact CG1-CB 3.83Å; V25-L33 HydrophobicContact CG1-CD2 3.85Å; V25-L33 HydrophobicContact CG1-CG 4.33Å; K26-L33 CarbonylContact O-C 3.59Å; Q27-L33 HydrophobicContact CB-CD2 3.65Å; Q27-L33 HydrophobicContact CG-CD2 3.74Å; L33-W96 HydrophobicContact CD1-CH2 4.11Å
34	E	95.4	Very high	93.3	Very high	35 Å²	35	49 Å²	49	16%	0.164	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	117.7	171.7	-66.9	-178.3	-91.3	0	0	109.2	V25 K26 R28 I36 K51 F52	V25-E34 WeakPolarHBondContact CA-O 3.24Å; V25-E34 WeakPolarHBondContact CG1-O 2.96Å; K26-E34 HydrophobicContact CB-CB 4.35Å; K26-E34 PolarHBondContact N-O 3.15Å; K26-E34 PolarHBondContact O-N 2.97Å; R28-E34 WeakPolarHBondContact CD-OE1 3.47Å; R28-E34 IonicContact CZ-OE1 2.74Å; R28-E34 IonicContact NE-OE1 2.76Å; R28-E34 PolarHBondContact NE-OE1 2.72Å; R28-E34 IonicContact NH2-OE1 3.72Å; E34-I36 PolarHBondContact O-N 3.46Å; E34-K51 IonicContact OE2-NZ 3.52Å; E34-K51 PolarHBondContact OE2-NZ 2.97Å; E34-F52 HydrophobicContact CB-CE2 4.45Å; E34-F52 HydrophobicContact CB-CZ 4.35Å
35	W	95.6	Very high	93.2	Very high	82 Å²	82	53.1 Å²	53.1	31%	0.311	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	129	172.5	-178.2	70.7	0	0	0	110.6	H23 G37 N38 H47 N49	H23-W35 AromaticContact CG-NE1 3.97Å; H23-W35 AromaticContact ND1-NE1 3.23Å; H23-W35 PolarHBondContact ND1-NE1 3.06Å; W35-G37 VanDerWaalsContact CE2-C 3.45Å; W35-G37 VanDerWaalsContact CE2-CA 3.49Å; W35-G37 PolarHBondContact NE1-O 3.11Å; W35-N38 HydrophobicContact CZ2-CB 4.06Å; W35-H47 HydrophobicContact CH2-CB 4.04Å; W35-N49 HydrophobicContact CE3-CB 4Å; W35-N49 HydrophobicContact CZ3-CB 4.25Å; W35-N49 VanDerWaalsContact O-CB 3.24Å; W35-N49 WeakPolarHBondContact O-CB 3.3Å; W35-N49 PolarHBondContact O-ND2 2.86Å; W35-N49 VanDerWaalsContact O-ND2 3.11Å
36	I	97.3	Very high	93.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-48.3	-178.5	-65.5	174.9	0	0	0	110.3	W24 K26 E34 N49 F52 A56 M69 Y82	W24-I36 HydrophobicContact CB-CB 4.11Å; W24-I36 HydrophobicContact CB-CD1 4.3Å; W24-I36 HydrophobicContact CB-CG2 4.44Å; W24-I36 WeakPolarHBondContact O-CB 3.37Å; W24-I36 PolarHBondContact O-N 3.48Å; K26-I36 HydrophobicContact CB-CD1 4.05Å; K26-I36 HydrophobicContact CB-CG1 4.22Å; E34-I36 PolarHBondContact O-N 3.46Å; I36-N49 PolarHBondContact O-N 2.64Å; I36-F52 HydrophobicContact CB-CB 4.48Å; I36-F52 HydrophobicContact CB-CD2 4.38Å; I36-F52 HydrophobicContact CB-CG 4.35Å; I36-F52 HydrophobicContact CG1-CD1 4.27Å; I36-F52 HydrophobicContact CG1-CD2 4.24Å; I36-F52 HydrophobicContact CG1-CE1 4.4Å; I36-F52 HydrophobicContact CG1-CE2 4.36Å; I36-F52 HydrophobicContact CG1-CG 4.19Å; I36-F52 HydrophobicContact CG1-CZ 4.43Å; I36-F52 HydrophobicContact CG2-CB 3.73Å; I36-F52 HydrophobicContact CG2-CG 4.05Å; I36-A56 HydrophobicContact CG2-CB 3.76Å; I36-M69 HydrophobicContact CD1-CE 3.93Å; I36-M69 HydrophobicContact CD1-SD 3.49Å; I36-M69 WeakPolarHBondContact CD1-SD 3.47Å; I36-M69 HydrophobicContact CG2-SD 3.93Å; I36-Y82 HydrophobicContact CD1-CD1 3.8Å; I36-Y82 HydrophobicContact CD1-CE1 3.84Å
37	G	96.6	Very high	93.2	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.8	178.9	-170.7	0	0	0	0	0	111.3	H23 W24 W35 H47	H23-G37 WeakPolarHBondContact CA-O 3.49Å; W24-G37 PolarHBondContact N-O 3.49Å; W35-G37 VanDerWaalsContact CE2-C 3.45Å; W35-G37 VanDerWaalsContact CE2-CA 3.49Å; W35-G37 PolarHBondContact NE1-O 3.11Å; G37-H47 CarbonylContact C-O 3.4Å; G37-H47 WeakPolarHBondContact CA-O 3.42Å
38	N	95.9	Very high	93.2	Very high	13 Å²	13	58.4 Å²	58.4	7%	0.07	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	163.8	170.8	62.9	13.6	0	0	0	110.6	W21 M22 H23 W35 T46 H47 L58	W21-N38 HydrophobicContact CE3-CB 3.97Å; W21-N38 VanDerWaalsContact CE3-OD1 3.29Å; W21-N38 WeakPolarHBondContact CZ3-OD1 3.04Å; M22-N38 CarbonylContact O-C 3.5Å; M22-N38 WeakPolarHBondContact O-CA 3.43Å; M22-N38 WeakPolarHBondContact O-CB 3.41Å; H23-N38 HydrophobicContact CB-CB 4.37Å; H23-N38 PolarHBondContact CE1-ND2 2.92Å; H23-N38 VanDerWaalsContact CE1-ND2 3.29Å; W35-N38 HydrophobicContact CZ2-CB 4.06Å; N38-T46 VanDerWaalsContact O-CA 3.27Å; N38-T46 WeakPolarHBondContact O-CA 3.42Å; N38-H47 PolarHBondContact N-O 3.46Å; N38-H47 PolarHBondContact O-N 2.74Å; N38-H47 VanDerWaalsContact O-N 3.13Å; N38-H47 VanDerWaalsContact OD1-CB 3.24Å; N38-H47 WeakPolarHBondContact OD1-CB 3.07Å; N38-H47 PolarHBondContact OD1-N 3.17Å; N38-L58 WeakPolarHBondContact O-CD1 3.28Å
39	I	96	Very high	93.4	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	134.9	173.5	-174.6	164.9	0	0	0	109.1	M22 P41 E45 T46 L58 A60 A67	M22-I39 HydrophobicContact CB-CG2 4.03Å; M22-I39 PolarHBondContact N-O 3.08Å; M22-I39 PolarHBondContact O-N 3.1Å; I39-P41 WeakPolarHBondContact O-CD 3.43Å; I39-E45 CarbonylContact C-O 3.52Å; I39-E45 VanDerWaalsContact CA-O 3.26Å; I39-E45 WeakPolarHBondContact CA-O 3.37Å; I39-T46 HydrophobicContact CB-CG2 3.86Å; I39-T46 HydrophobicContact CD1-CG2 3.83Å; I39-T46 HydrophobicContact CG1-CG2 3.69Å; I39-L58 HydrophobicContact CB-CB 4.31Å; I39-L58 HydrophobicContact CD1-CB 4.46Å; I39-A60 HydrophobicContact CD1-CB 3.92Å; I39-A60 HydrophobicContact CG1-CB 4.49Å; I39-A67 HydrophobicContact CG2-CB 4.36Å
40	D	94.6	Very high	94	Very high	22 Å²	22	60.1 Å²	60.1	12%	0.118	31%	0.312	C	S	.	.			trans	-82.2	112.6	163.5	-166.6	-37	0	0	0	108.3	W21 S42 D43 S44 E45	W21-D40 HydrophobicContact CD2-CB 3.89Å; W21-D40 HydrophobicContact CE3-CB 4.14Å; W21-D40 HydrophobicContact CG-CB 4.48Å; W21-D40 HydrophobicContact CH2-CB 4.05Å; W21-D40 HydrophobicContact CZ2-CB 3.74Å; W21-D40 HydrophobicContact CZ3-CB 4.22Å; W21-D40 PolarHBondContact NE1-OD2 2.84Å; D40-S42 VanDerWaalsContact CG-OG 3.22Å; D40-S42 PolarHBondContact O-N 2.82Å; D40-S42 WeakPolarHBondContact OD1-CA 3.28Å; D40-S42 WeakPolarHBondContact OD1-CB 3.29Å; D40-S42 PolarHBondContact OD1-N 2.85Å; D40-S42 PolarHBondContact OD1-OG 2.63Å; D40-S42 PolarHBondContact OD2-OG 2.85Å; D40-D43 WeakPolarHBondContact CB-OD1 3.2Å; D40-S44 WeakPolarHBondContact O-CA 3.41Å; D40-S44 PolarHBondContact O-N 3.17Å; D40-E45 HydrophobicContact CB-CB 4.29Å; D40-E45 PolarHBondContact N-O 3.46Å
41	P	94.1	Very high	94.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-12.8	179.7	-16.5	32.2	0	0	0	113.4	F17 T18 Y20 I39 A60 K62	F17-P41 HydrophobicContact CD1-CB 3.81Å; F17-P41 HydrophobicContact CD1-CG 4.38Å; F17-P41 HydrophobicContact CD2-CB 4.4Å; F17-P41 HydrophobicContact CD2-CG 4.08Å; F17-P41 HydrophobicContact CE1-CB 3.46Å; F17-P41 VanDerWaalsContact CE1-CB 3.46Å; F17-P41 HydrophobicContact CE1-CG 3.99Å; F17-P41 HydrophobicContact CE2-CB 4.08Å; F17-P41 HydrophobicContact CE2-CG 3.65Å; F17-P41 HydrophobicContact CG-CB 4.3Å; F17-P41 HydrophobicContact CG-CG 4.44Å; F17-P41 HydrophobicContact CZ-CB 3.6Å; F17-P41 HydrophobicContact CZ-CG 3.6Å; T18-P41 HydrophobicContact CG2-CB 4.47Å; Y20-P41 WeakPolarHBondContact O-CD 3.44Å; Y20-P41 WeakPolarHBondContact O-CG 3.28Å; I39-P41 WeakPolarHBondContact O-CD 3.43Å; P41-A60 HydrophobicContact CB-CB 4.06Å; P41-K62 VanDerWaalsContact O-CD 3.31Å; P41-K62 WeakPolarHBondContact O-CD 3.44Å; P41-K62 WeakPolarHBondContact O-CE 3.24Å; P41-K62 VanDerWaalsContact O-CG 3.28Å; P41-K62 WeakPolarHBondContact O-CG 3.45Å
42	S	93.3	Very high	95	Very high	52 Å²	52	51.8 Å²	51.8	36%	0.364	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-37.5	-178.5	73.3	0	0	0	0	113.3	T18 D40 K62	T18-S42 WeakPolarHBondContact O-CB 3.44Å; D40-S42 VanDerWaalsContact CG-OG 3.22Å; D40-S42 PolarHBondContact O-N 2.82Å; D40-S42 WeakPolarHBondContact OD1-CA 3.28Å; D40-S42 WeakPolarHBondContact OD1-CB 3.29Å; D40-S42 PolarHBondContact OD1-N 2.85Å; D40-S42 PolarHBondContact OD1-OG 2.63Å; D40-S42 PolarHBondContact OD2-OG 2.85Å; S42-K62 WeakPolarHBondContact O-CE 3.28Å; S42-K62 PolarHBondContact O-NZ 3.23Å
43	D	94.3	Very high	95.2	Very high	93 Å²	93	54.9 Å²	54.9	50%	0.497	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	-1.1	-176.9	63.7	8.5	0	0	0	113.9	D40 E45	D40-D43 WeakPolarHBondContact CB-OD1 3.2Å; D43-E45 VanDerWaalsContact C-N 3.27Å; D43-E45 VanDerWaalsContact OD1-CB 3.29Å; D43-E45 WeakPolarHBondContact OD1-CB 3.38Å; D43-E45 PolarHBondContact OD1-N 3.48Å
44	S	94.3	Very high	95.2	Very high	60 Å²	60	57 Å²	57	42%	0.42	28%	0.284	S	S	.	.			trans	68.3	20	-177.4	-50.3	0	0	0	0	114.1	D40	D40-S44 WeakPolarHBondContact O-CA 3.41Å; D40-S44 PolarHBondContact O-N 3.17Å
45	E	95.4	Very high	95.2	Very high	92 Å²	92	57.3 Å²	57.3	43%	0.43	29%	0.285	S	S	.	.			trans	-59.6	138.7	168.9	-171	178.3	172.6	0	0	110	W21 I39 D40 D43 H47	W21-E45 HydrophobicContact CH2-CB 4.11Å; W21-E45 HydrophobicContact CH2-CG 3.93Å; I39-E45 CarbonylContact C-O 3.52Å; I39-E45 VanDerWaalsContact CA-O 3.26Å; I39-E45 WeakPolarHBondContact CA-O 3.37Å; D40-E45 HydrophobicContact CB-CB 4.29Å; D40-E45 PolarHBondContact N-O 3.46Å; D43-E45 VanDerWaalsContact C-N 3.27Å; D43-E45 VanDerWaalsContact OD1-CB 3.29Å; D43-E45 WeakPolarHBondContact OD1-CB 3.38Å; D43-E45 PolarHBondContact OD1-N 3.48Å; E45-H47 IonicContact OE1-CD2 2.72Å; E45-H47 IonicContact OE1-CE1 3.4Å; E45-H47 IonicContact OE1-NE2 3.53Å; E45-H47 PolarHBondContact OE1-NE2 3.27Å
46	T	96.6	Very high	95.3	Very high	50 Å²	50	53.4 Å²	53.4	31%	0.307	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	132.8	-179.4	49.8	0	0	0	0	111.5	N38 I39 Y48 L58	N38-T46 VanDerWaalsContact O-CA 3.27Å; N38-T46 WeakPolarHBondContact O-CA 3.42Å; I39-T46 HydrophobicContact CB-CG2 3.86Å; I39-T46 HydrophobicContact CD1-CG2 3.83Å; I39-T46 HydrophobicContact CG1-CG2 3.69Å; T46-Y48 HydrophobicContact CG2-CE2 4.34Å; T46-Y48 WeakPolarHBondContact OG1-CE2 3.21Å; T46-L58 HydrophobicContact CG2-CB 4.11Å
47	H	96	Very high	95.3	Very high	83 Å²	83	55.8 Å²	55.8	38%	0.384	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	143.6	166.3	-51.5	154.5	0	0	0	109.5	W21 W35 G37 N38 E45	W21-H47 AromaticContact CH2-CE1 3.38Å; W21-H47 WeakPolarHBondContact CH2-CE1 3.01Å; W21-H47 AromaticContact CH2-ND1 3.9Å; W21-H47 AromaticContact CH2-NE2 3.66Å; W21-H47 AromaticContact CZ3-CE1 3.78Å; W21-H47 AromaticContact CZ3-ND1 3.8Å; W35-H47 HydrophobicContact CH2-CB 4.04Å; G37-H47 CarbonylContact C-O 3.4Å; G37-H47 WeakPolarHBondContact CA-O 3.42Å; N38-H47 PolarHBondContact N-O 3.46Å; N38-H47 PolarHBondContact O-N 2.74Å; N38-H47 VanDerWaalsContact O-N 3.13Å; N38-H47 VanDerWaalsContact OD1-CB 3.24Å; N38-H47 WeakPolarHBondContact OD1-CB 3.07Å; N38-H47 PolarHBondContact OD1-N 3.17Å; E45-H47 IonicContact OE1-CD2 2.72Å; E45-H47 IonicContact OE1-CE1 3.4Å; E45-H47 IonicContact OE1-NE2 3.53Å; E45-H47 PolarHBondContact OE1-NE2 3.27Å
48	Y	97.1	Very high	95.3	Very high	51 Å²	51	56.3 Å²	56.3	20%	0.2	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	149	-175.3	-73.4	-86.4	0	0	0	111.4	T46 K53 A56 L58	T46-Y48 HydrophobicContact CG2-CE2 4.34Å; T46-Y48 WeakPolarHBondContact OG1-CE2 3.21Å; Y48-K53 HydrophobicContact CD1-CB 4.4Å; Y48-K53 HydrophobicContact CD2-CG 4.09Å; Y48-K53 HydrophobicContact CG-CB 4.17Å; Y48-K53 HydrophobicContact CG-CG 4.08Å; Y48-A56 WeakPolarHBondContact CE1-O 2.97Å; Y48-L58 HydrophobicContact CE1-CD1 3.97Å; Y48-L58 HydrophobicContact CE1-CG 3.7Å; Y48-L58 WeakPolarHBondContact OH-CB 3.19Å; Y48-L58 PolarHBondContact OH-N 3.18Å
49	N	96.1	Very high	95.4	Very high	57 Å²	57	59 Å²	59	31%	0.305	31%	0.305	S	S	.	.			trans	-73.6	126.1	149.4	177.5	-19.8	0	0	0	108.1	W35 I36 K51 F52 K53	W35-N49 HydrophobicContact CE3-CB 4Å; W35-N49 HydrophobicContact CZ3-CB 4.25Å; W35-N49 VanDerWaalsContact O-CB 3.24Å; W35-N49 WeakPolarHBondContact O-CB 3.3Å; W35-N49 PolarHBondContact O-ND2 2.86Å; W35-N49 VanDerWaalsContact O-ND2 3.11Å; I36-N49 PolarHBondContact O-N 2.64Å; N49-K51 PolarHBondContact O-N 3.44Å; N49-K51 WeakPolarHBondContact OD1-CB 2.99Å; N49-K51 PolarHBondContact OD1-N 2.82Å; N49-K51 VanDerWaalsContact OD1-N 3.17Å; N49-F52 HydrophobicContact CB-CD2 4.01Å; N49-F52 PolarHBondContact O-N 3.44Å; N49-K53 PolarHBondContact O-N 3.17Å
50	Q	94.7	Very high	95.4	Very high	140 Å²	140	60 Å²	60	65%	0.654	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-28.4	-172.4	-163.9	62.8	16.5	0	0	113.5	F52	Q50-F52 PolarHBondContact O-N 2.87Å
51	K	92.9	Very high	95.4	Very high	118 Å²	118	61.3 Å²	61.3	51%	0.513	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.7	175.1	-179.2	178.5	175.9	-177.4	0	113.5	E34 N49	E34-K51 IonicContact OE2-NZ 3.52Å; E34-K51 PolarHBondContact OE2-NZ 2.97Å; N49-K51 PolarHBondContact O-N 3.44Å; N49-K51 WeakPolarHBondContact OD1-CB 2.99Å; N49-K51 PolarHBondContact OD1-N 2.82Å; N49-K51 VanDerWaalsContact OD1-N 3.17Å
52	F	95.4	Very high	95.1	Very high	5 Å²	5	66.1 Å²	66.1	2%	0.022	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-7.5	-171.5	-60.5	-80.9	0	0	0	114.3	K26 E34 I36 N49 Q50 D54 K55 A56	K26-F52 HydrophobicContact CD-CE1 4.13Å; K26-F52 HydrophobicContact CD-CZ 4.29Å; E34-F52 HydrophobicContact CB-CE2 4.45Å; E34-F52 HydrophobicContact CB-CZ 4.35Å; I36-F52 HydrophobicContact CB-CB 4.48Å; I36-F52 HydrophobicContact CB-CD2 4.38Å; I36-F52 HydrophobicContact CB-CG 4.35Å; I36-F52 HydrophobicContact CG1-CD1 4.27Å; I36-F52 HydrophobicContact CG1-CD2 4.24Å; I36-F52 HydrophobicContact CG1-CE1 4.4Å; I36-F52 HydrophobicContact CG1-CE2 4.36Å; I36-F52 HydrophobicContact CG1-CG 4.19Å; I36-F52 HydrophobicContact CG1-CZ 4.43Å; I36-F52 HydrophobicContact CG2-CB 3.73Å; I36-F52 HydrophobicContact CG2-CG 4.05Å; N49-F52 HydrophobicContact CB-CD2 4.01Å; N49-F52 PolarHBondContact O-N 3.44Å; Q50-F52 PolarHBondContact O-N 2.87Å; F52-D54 VanDerWaalsContact C-N 3.34Å; F52-D54 PolarHBondContact O-N 2.89Å; F52-K55 PolarHBondContact O-N 2.86Å; F52-A56 HydrophobicContact CB-CB 4.2Å; F52-A56 PolarHBondContact O-N 2.8Å
53	K	93.4	Very high	94.8	Very high	99 Å²	99	68.8 Å²	68.8	43%	0.43	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-48.5	-172.4	-172.6	175.2	-177.4	176.3	0	113.5	Y48 N49	Y48-K53 HydrophobicContact CD1-CB 4.4Å; Y48-K53 HydrophobicContact CD2-CG 4.09Å; Y48-K53 HydrophobicContact CG-CB 4.17Å; Y48-K53 HydrophobicContact CG-CG 4.08Å; N49-K53 PolarHBondContact O-N 3.17Å
54	D	94.1	Very high	94.6	Very high	143 Å²	143	67.1 Å²	67.1	77%	0.765	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-18.8	-179.7	-54.9	-38.6	0	0	0	112.6	F52	F52-D54 VanDerWaalsContact C-N 3.34Å; F52-D54 PolarHBondContact O-N 2.89Å
55	K	95.5	Very high	94.5	Very high	42 Å²	42	66.1 Å²	66.1	18%	0.183	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-34	-174.5	-175.1	68.4	178.3	-168.8	0	112.8	F52 L71 S72 S73 D78	F52-K55 PolarHBondContact O-N 2.86Å; K55-L71 WeakPolarHBondContact O-CA 3.38Å; K55-S72 WeakPolarHBondContact CD-O 3.37Å; K55-S72 WeakPolarHBondContact CE-O 3.15Å; K55-S72 PolarHBondContact NZ-O 3.31Å; K55-S72 PolarHBondContact O-N 3.27Å; K55-S73 VanDerWaalsContact NZ-C 3.35Å; K55-S73 PolarHBondContact NZ-O 2.85Å; K55-D78 WeakPolarHBondContact CE-OD2 2.99Å; K55-D78 IonicContact NZ-OD2 3.69Å; K55-D78 PolarHBondContact NZ-OD2 3.32Å
56	A	97.2	Very high	94.5	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.331	C	S	.	.	S	Bend	trans	-132.2	59.7	-167.6	0	0	0	0	0	113.2	I36 Y48 F52 L58 M69 Q70 L71	I36-A56 HydrophobicContact CG2-CB 3.76Å; Y48-A56 WeakPolarHBondContact CE1-O 2.97Å; F52-A56 HydrophobicContact CB-CB 4.2Å; F52-A56 PolarHBondContact O-N 2.8Å; A56-L58 WeakPolarHBondContact O-CD2 3.49Å; A56-L58 PolarHBondContact O-N 3.45Å; A56-M69 HydrophobicContact CB-CG 3.97Å; A56-M69 HydrophobicContact CB-SD 3.94Å; A56-Q70 VanDerWaalsContact CA-O 3.27Å; A56-Q70 WeakPolarHBondContact CA-O 3.19Å; A56-L71 HydrophobicContact CB-CD2 3.96Å
57	P	97.1	Very high	94.4	Very high	50 Å²	50	59.8 Å²	59.8	33%	0.325	32%	0.316	S	S	.	.			trans	-51.3	131.7	175.4	-28.7	34.8	0	0	0	113.3	M69 Q70	P57-M69 WeakPolarHBondContact O-CA 2.99Å; P57-Q70 WeakPolarHBondContact CD-O 3.27Å; P57-Q70 PolarHBondContact O-N 2.02Å
58	L	97.9	Very high	94.5	Very high	11 Å²	11	58.4 Å²	58.4	6%	0.058	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.8	178.5	-53.8	-176.7	0	0	0	110.7	W24 N38 I39 T46 Y48 A56 Y68 M69	W24-L58 HydrophobicContact CB-CD2 4.49Å; W24-L58 VanDerWaalsContact CD1-CD2 3.46Å; W24-L58 HydrophobicContact CG-CD2 3.97Å; N38-L58 WeakPolarHBondContact O-CD1 3.28Å; I39-L58 HydrophobicContact CB-CB 4.31Å; I39-L58 HydrophobicContact CD1-CB 4.46Å; T46-L58 HydrophobicContact CG2-CB 4.11Å; Y48-L58 HydrophobicContact CE1-CD1 3.97Å; Y48-L58 HydrophobicContact CE1-CG 3.7Å; Y48-L58 WeakPolarHBondContact OH-CB 3.19Å; Y48-L58 PolarHBondContact OH-N 3.18Å; A56-L58 WeakPolarHBondContact O-CD2 3.49Å; A56-L58 PolarHBondContact O-N 3.45Å; L58-Y68 WeakPolarHBondContact CA-O 3.13Å; L58-M69 HydrophobicContact CD2-CB 3.66Å; L58-M69 HydrophobicContact CD2-CG 3.65Å; L58-M69 HydrophobicContact CD2-SD 4.18Å
59	T	97.1	Very high	94.6	Very high	69 Å²	69	56 Å²	56	42%	0.423	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	160.4	174.8	55.3	0	0	0	0	110.3	A67 Y68	T59-A67 CarbonylContact O-C 3.56Å; T59-A67 WeakPolarHBondContact O-CA 3.47Å; T59-Y68 PolarHBondContact N-O 3.24Å; T59-Y68 PolarHBondContact O-N 3.23Å
60	A	96.1	Very high	94.6	Very high	22 Å²	22	57.4 Å²	57.4	18%	0.182	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	141.8	175.2	0	0	0	0	0	110.6	F17 I39 P41	F17-A60 HydrophobicContact CE1-CB 4.19Å; F17-A60 HydrophobicContact CZ-CB 4.13Å; I39-A60 HydrophobicContact CD1-CB 3.92Å; I39-A60 HydrophobicContact CG1-CB 4.49Å; P41-A60 HydrophobicContact CB-CB 4.06Å
61	D	94.4	Very high	94.8	Very high	50 Å²	50	50.8 Å²	50.8	27%	0.267	27%	0.273	S	S	.	.			trans	-107.6	107.2	170.9	177.4	0.4	0	0	0	109.3	S63 S64 S65 P66 Y68	D61-S63 VanDerWaalsContact C-N 3.26Å; D61-S63 PolarHBondContact O-N 3.01Å; D61-S63 WeakPolarHBondContact OD1-CB 3.48Å; D61-S63 PolarHBondContact OD1-N 2.91Å; D61-S63 PolarHBondContact OD1-OG 3.06Å; D61-S63 PolarHBondContact OD2-OG 2.85Å; D61-S64 PolarHBondContact OD1-N 2.71Å; D61-S64 WeakPolarHBondContact OD2-CB 3.44Å; D61-S64 PolarHBondContact OD2-OG 2.89Å; D61-S65 VanDerWaalsContact O-CA 3.25Å; D61-S65 WeakPolarHBondContact O-CA 3.35Å; D61-S65 PolarHBondContact O-N 3.01Å; D61-P66 HydrophobicContact CB-CG 4.22Å; D61-P66 PolarHBondContact N-O 3.42Å; D61-Y68 HydrophobicContact CB-CE2 4.06Å
62	K	88.8	Confident	94.9	Very high	102 Å²	102	46.4 Å²	46.4	44%	0.443	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-30.3	-178.8	-51.5	-173.9	-167.5	178.1	0	112.1	T18 P41 S42	T18-K62 HydrophobicContact CG2-CB 4.49Å; P41-K62 VanDerWaalsContact O-CD 3.31Å; P41-K62 WeakPolarHBondContact O-CD 3.44Å; P41-K62 WeakPolarHBondContact O-CE 3.24Å; P41-K62 VanDerWaalsContact O-CG 3.28Å; P41-K62 WeakPolarHBondContact O-CG 3.45Å; S42-K62 WeakPolarHBondContact O-CE 3.28Å; S42-K62 PolarHBondContact O-NZ 3.23Å
63	S	86.8	Confident	95	Very high	108 Å²	108	50 Å²	50	76%	0.755	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-43.3	-174	71	0	0	0	0	112.1	D61	D61-S63 VanDerWaalsContact C-N 3.26Å; D61-S63 PolarHBondContact O-N 3.01Å; D61-S63 WeakPolarHBondContact OD1-CB 3.48Å; D61-S63 PolarHBondContact OD1-N 2.91Å; D61-S63 PolarHBondContact OD1-OG 3.06Å; D61-S63 PolarHBondContact OD2-OG 2.85Å
64	S	89.4	Confident	95.1	Very high	58 Å²	58	45.4 Å²	45.4	41%	0.406	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-7	-179.7	69.2	0	0	0	0	113.5	D61 P66	D61-S64 PolarHBondContact OD1-N 2.71Å; D61-S64 WeakPolarHBondContact OD2-CB 3.44Å; D61-S64 PolarHBondContact OD2-OG 2.89Å; S64-P66 VanDerWaalsContact O-CD 3.23Å; S64-P66 WeakPolarHBondContact O-CD 3.42Å; S64-P66 WeakPolarHBondContact OG-CD 3.46Å; S64-P66 WeakPolarHBondContact OG-CG 3.44Å
65	S	92	Very high	95.2	Very high	38 Å²	38	41.5 Å²	41.5	27%	0.266	24%	0.244	S	C	.	.			trans	64.9	28.3	179.4	-59.8	0	0	0	0	119.4	A12 F17 D61	A12-S65 WeakPolarHBondContact CB-O 3.47Å; A12-S65 PolarHBondContact N-O 3.07Å; F17-S65 VanDerWaalsContact CD1-CA 3.48Å; D61-S65 VanDerWaalsContact O-CA 3.25Å; D61-S65 WeakPolarHBondContact O-CA 3.35Å; D61-S65 PolarHBondContact O-N 3.01Å
66	P	94.9	Very high	95.1	Very high	10 Å²	10	45.4 Å²	45.4	7%	0.065	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	145.5	163.5	36.1	-34.6	0	0	0	113.3	C10 F17 D61 S64 Y68	C10-P66 CarbonylContact O-C 3.57Å; C10-P66 VanDerWaalsContact O-CA 3.23Å; C10-P66 WeakPolarHBondContact O-CA 3.13Å; F17-P66 VanDerWaalsContact CZ-C 3.47Å; D61-P66 HydrophobicContact CB-CG 4.22Å; D61-P66 PolarHBondContact N-O 3.42Å; S64-P66 VanDerWaalsContact O-CD 3.23Å; S64-P66 WeakPolarHBondContact O-CD 3.42Å; S64-P66 WeakPolarHBondContact OG-CD 3.46Å; S64-P66 WeakPolarHBondContact OG-CG 3.44Å; P66-Y68 HydrophobicContact CB-CE1 4.27Å; P66-Y68 HydrophobicContact CB-CE2 4.17Å; P66-Y68 HydrophobicContact CG-CE1 4.22Å; P66-Y68 HydrophobicContact CG-CE2 3.64Å; P66-Y68 WeakPolarHBondContact CG-OH 3.48Å
67	A	96.5	Very high	94.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	154.8	158.3	0	0	0	0	0	109.8	S9 C10 F17 M22 W24 I39 T59	S9-A67 CarbonylContact C-O 3.54Å; S9-A67 WeakPolarHBondContact CA-O 3.27Å; C10-A67 PolarHBondContact N-O 2.97Å; C10-A67 PolarHBondContact O-N 2.88Å; F17-A67 HydrophobicContact CE2-CB 4.27Å; F17-A67 HydrophobicContact CZ-CB 3.95Å; M22-A67 HydrophobicContact CB-CB 4.08Å; M22-A67 HydrophobicContact CG-CB 3.67Å; W24-A67 HydrophobicContact CZ2-CB 4.38Å; I39-A67 HydrophobicContact CG2-CB 4.36Å; T59-A67 CarbonylContact O-C 3.56Å; T59-A67 WeakPolarHBondContact O-CA 3.47Å
68	Y	97.7	Very high	94.8	Very high	53 Å²	53	49.6 Å²	49.6	21%	0.208	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	149.3	177.5	-52.7	-86.4	0	0	0	111.7	K7 L8 S9 L58 T59 D61 P66	K7-Y68 HydrophobicContact CD-CD1 4.28Å; K7-Y68 VanDerWaalsContact CE-CB 3.41Å; K7-Y68 VanDerWaalsContact CE-CD1 3.41Å; K7-Y68 HydrophobicContact CG-CD1 4.28Å; L8-Y68 WeakPolarHBondContact O-CA 3.47Å; S9-Y68 VanDerWaalsContact CB-CD1 3.5Å; L58-Y68 WeakPolarHBondContact CA-O 3.13Å; T59-Y68 PolarHBondContact N-O 3.24Å; T59-Y68 PolarHBondContact O-N 3.23Å; D61-Y68 HydrophobicContact CB-CE2 4.06Å; P66-Y68 HydrophobicContact CB-CE1 4.27Å; P66-Y68 HydrophobicContact CB-CE2 4.17Å; P66-Y68 HydrophobicContact CG-CE1 4.22Å; P66-Y68 HydrophobicContact CG-CE2 3.64Å; P66-Y68 WeakPolarHBondContact CG-OH 3.48Å
69	M	97.9	Very high	94.7	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.4	167.7	176.4	178.1	68.3	0	0	108.7	L8 W24 I36 A56 P57 L58 L71 Y82	L8-M69 HydrophobicContact CD1-CE 3.69Å; L8-M69 HydrophobicContact CG-CE 4.49Å; L8-M69 PolarHBondContact N-O 3.45Å; L8-M69 PolarHBondContact O-N 3.25Å; W24-M69 HydrophobicContact CB-SD 3.91Å; W24-M69 HydrophobicContact CD2-CB 3.67Å; W24-M69 HydrophobicContact CD2-CE 4.23Å; W24-M69 HydrophobicContact CD2-CG 4.46Å; W24-M69 HydrophobicContact CD2-SD 4.06Å; W24-M69 HydrophobicContact CE3-CB 3.9Å; W24-M69 HydrophobicContact CE3-CE 3.62Å; W24-M69 HydrophobicContact CE3-SD 4.06Å; W24-M69 HydrophobicContact CG-CB 4.2Å; W24-M69 HydrophobicContact CG-SD 4.02Å; W24-M69 HydrophobicContact CH2-CB 4.11Å; W24-M69 HydrophobicContact CZ2-CB 3.91Å; W24-M69 HydrophobicContact CZ3-CB 4.11Å; W24-M69 HydrophobicContact CZ3-CE 4.11Å; I36-M69 HydrophobicContact CD1-CE 3.93Å; I36-M69 HydrophobicContact CD1-SD 3.49Å; I36-M69 WeakPolarHBondContact CD1-SD 3.47Å; I36-M69 HydrophobicContact CG2-SD 3.93Å; A56-M69 HydrophobicContact CB-CG 3.97Å; A56-M69 HydrophobicContact CB-SD 3.94Å; P57-M69 WeakPolarHBondContact O-CA 2.99Å; L58-M69 HydrophobicContact CD2-CB 3.66Å; L58-M69 HydrophobicContact CD2-CG 3.65Å; L58-M69 HydrophobicContact CD2-SD 4.18Å; M69-L71 HydrophobicContact CE-CD1 4.27Å; M69-L71 HydrophobicContact CE-CD2 4.15Å; M69-L71 HydrophobicContact CE-CG 4.14Å; M69-L71 HydrophobicContact SD-CD2 4.33Å; M69-Y82 HydrophobicContact CE-CD1 3.53Å; M69-Y82 HydrophobicContact CE-CE1 4.08Å; M69-Y82 HydrophobicContact CE-CG 4.16Å
70	Q	97.7	Very high	94.7	Very high	88 Å²	88	48 Å²	48	41%	0.411	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	111.5	175.8	-179.2	170.9	-25.6	0	0	109.9	V6 A56 P57	V6-Q70 CarbonylContact O-C 3.5Å; V6-Q70 WeakPolarHBondContact O-CA 3.49Å; A56-Q70 VanDerWaalsContact CA-O 3.27Å; A56-Q70 WeakPolarHBondContact CA-O 3.19Å; P57-Q70 WeakPolarHBondContact CD-O 3.27Å; P57-Q70 PolarHBondContact O-N 2.02Å
71	L	97.2	Very high	94.8	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	118.1	172.2	-65.6	168.6	0	0	0	109	S5 V6 L8 K55 A56 M69 L74 Y82 V102	S5-L71 CarbonylContact C-O 3.59Å; S5-L71 WeakPolarHBondContact CA-O 3.17Å; S5-L71 WeakPolarHBondContact CB-O 3.24Å; V6-L71 HydrophobicContact CG2-CB 3.94Å; V6-L71 HydrophobicContact CG2-CD1 4.08Å; V6-L71 HydrophobicContact CG2-CG 4.5Å; V6-L71 PolarHBondContact N-O 2.82Å; V6-L71 PolarHBondContact O-N 2.99Å; L8-L71 HydrophobicContact CD1-CD1 4.23Å; K55-L71 WeakPolarHBondContact O-CA 3.38Å; A56-L71 HydrophobicContact CB-CD2 3.96Å; M69-L71 HydrophobicContact CE-CD1 4.27Å; M69-L71 HydrophobicContact CE-CD2 4.15Å; M69-L71 HydrophobicContact CE-CG 4.14Å; M69-L71 HydrophobicContact SD-CD2 4.33Å; L71-L74 HydrophobicContact CB-CD2 3.82Å; L71-L74 HydrophobicContact CD1-CD2 4.32Å; L71-Y82 HydrophobicContact CD1-CD1 4.28Å; L71-Y82 HydrophobicContact CD1-CD2 4.27Å; L71-Y82 HydrophobicContact CD1-CE1 3.75Å; L71-Y82 HydrophobicContact CD1-CE2 3.8Å; L71-Y82 HydrophobicContact CD1-CG 4.47Å; L71-Y82 VanDerWaalsContact CD1-CZ 3.48Å; L71-Y82 HydrophobicContact CD2-CE1 4.01Å; L71-Y82 HydrophobicContact CG-CE1 4.49Å; L71-V102 HydrophobicContact CD1-CG2 4.46Å
72	S	96.6	Very high	94.9	Very high	26 Å²	26	46.7 Å²	46.7	18%	0.182	26%	0.261	C	S	.	.			trans	-102.8	150.1	-177	-61.9	0	0	0	0	112.5	S5 K55 L74	S5-S72 WeakPolarHBondContact OG-CA 3.25Å; K55-S72 WeakPolarHBondContact CD-O 3.37Å; K55-S72 WeakPolarHBondContact CE-O 3.15Å; K55-S72 PolarHBondContact NZ-O 3.31Å; K55-S72 PolarHBondContact O-N 3.27Å; S72-L74 VanDerWaalsContact C-N 3.35Å; S72-L74 PolarHBondContact O-N 2.81Å
73	S	95.8	Very high	95.3	Very high	79 Å²	79	43.9 Å²	43.9	55%	0.552	25%	0.248	S	C	*	.	S	Bend	trans	51.2	49.6	172.3	-54.4	0	0	0	0	113.2	S4 S5 K55	S4-S73 PolarHBondContact O-N 2.73Å; S5-S73 PolarHBondContact OG-N 3.2Å; K55-S73 VanDerWaalsContact NZ-C 3.35Å; K55-S73 PolarHBondContact NZ-O 2.85Å
74	L	96.6	Very high	95.8	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	22%	0.217	C	C	.	.			trans	-52.7	138.5	-171.1	-75.9	171.6	0	0	0	113.1	P2 G3 S4 V6 L71 S72 D78 V102 V104	P2-L74 CarbonylContact C-O 3.47Å; P2-L74 VanDerWaalsContact CA-O 3.28Å; P2-L74 WeakPolarHBondContact CA-O 3.47Å; G3-L74 PolarHBondContact N-O 2.94Å; S4-L74 VanDerWaalsContact O-CB 3.28Å; S4-L74 WeakPolarHBondContact O-CB 3.47Å; S4-L74 VanDerWaalsContact O-CG 3.24Å; S4-L74 WeakPolarHBondContact O-CG 3.42Å; S4-L74 PolarHBondContact O-N 2.77Å; V6-L74 HydrophobicContact CB-CD1 4.47Å; V6-L74 HydrophobicContact CG1-CD1 3.85Å; V6-L74 HydrophobicContact CG2-CD1 3.97Å; L71-L74 HydrophobicContact CB-CD2 3.82Å; L71-L74 HydrophobicContact CD1-CD2 4.32Å; S72-L74 VanDerWaalsContact C-N 3.35Å; S72-L74 PolarHBondContact O-N 2.81Å; L74-D78 WeakPolarHBondContact CA-OD2 3.3Å; L74-D78 HydrophobicContact CD2-CB 3.55Å; L74-V102 HydrophobicContact CD1-CG1 4.43Å; L74-V102 HydrophobicContact CD2-CG1 4.46Å; L74-V104 HydrophobicContact CB-CG1 4.38Å; L74-V104 HydrophobicContact CB-CG2 3.91Å; L74-V104 HydrophobicContact CD1-CG2 4.14Å; L74-V104 HydrophobicContact CD2-CG2 4.28Å; L74-V104 HydrophobicContact CG-CG2 4.35Å
75	T	95.6	Very high	96	Very high	61 Å²	61	36.9 Å²	36.9	37%	0.374	20%	0.198	S	C	.	.			trans	-117.7	170.9	171.9	71.1	0	0	0	0	110.4	E77 D78 V104	T75-E77 PolarHBondContact O-N 2.88Å; T75-E77 PolarHBondContact OG1-N 2.93Å; T75-D78 PolarHBondContact N-OD2 2.93Å; T75-D78 WeakPolarHBondContact O-CB 3.49Å; T75-D78 PolarHBondContact O-N 2.85Å; T75-D78 PolarHBondContact OG1-OD2 2.81Å; T75-V104 WeakPolarHBondContact O-CB 3.5Å; T75-V104 WeakPolarHBondContact O-CG2 3.28Å
76	F	94.6	Very high	95.9	Very high	123 Å²	123	36.5 Å²	36.5	54%	0.539	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-55.9	-34.1	175.8	-67.4	-76.2	0	0	0	112.7	P2 D78 S79 V104	P2-F76 HydrophobicContact CG-CE1 4.4Å; P2-F76 HydrophobicContact CG-CE2 4.02Å; P2-F76 HydrophobicContact CG-CZ 3.83Å; F76-D78 PolarHBondContact O-N 3.5Å; F76-S79 VanDerWaalsContact O-CB 3.31Å; F76-S79 WeakPolarHBondContact O-CB 3.47Å; F76-S79 PolarHBondContact O-N 3.29Å; F76-S79 VanDerWaalsContact O-N 3.07Å; F76-S79 PolarHBondContact O-OG 3.2Å; F76-V104 WeakPolarHBondContact CD1-O 3.4Å
77	E	92.3	Very high	95.4	Very high	129 Å²	129	37.2 Å²	37.2	60%	0.603	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-67.4	-17	177.6	-61.4	-169.7	-172.1	0	0	113.8	K26 T75 S79	K26-E77 WeakPolarHBondContact CE-O 3.23Å; K26-E77 PolarHBondContact NZ-O 3.13Å; T75-E77 PolarHBondContact O-N 2.88Å; T75-E77 PolarHBondContact OG1-N 2.93Å; E77-S79 PolarHBondContact O-N 2.95Å
78	D	94.6	Very high	94.1	Very high	10 Å²	10	39 Å²	39	5%	0.053	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-78.6	-3.7	173.8	-63.3	-45.8	0	0	0	112.8	K26 K55 L74 T75 F76 A80 Y82 V104	K26-D78 IonicContact NZ-OD1 2.75Å; K55-D78 WeakPolarHBondContact CE-OD2 2.99Å; K55-D78 IonicContact NZ-OD2 3.69Å; K55-D78 PolarHBondContact NZ-OD2 3.32Å; L74-D78 WeakPolarHBondContact CA-OD2 3.3Å; L74-D78 HydrophobicContact CD2-CB 3.55Å; T75-D78 PolarHBondContact N-OD2 2.93Å; T75-D78 WeakPolarHBondContact O-CB 3.49Å; T75-D78 PolarHBondContact O-N 2.85Å; T75-D78 PolarHBondContact OG1-OD2 2.81Å; F76-D78 PolarHBondContact O-N 3.5Å; D78-A80 PolarHBondContact O-N 2.76Å; D78-A80 VanDerWaalsContact O-N 3.15Å; D78-Y82 WeakPolarHBondContact O-CE2 3.46Å; D78-Y82 PolarHBondContact O-OH 3.3Å; D78-V104 HydrophobicContact CB-CG2 4.44Å
79	S	95.9	Very high	92.5	Very high	40 Å²	40	43.7 Å²	43.7	28%	0.28	24%	0.24	S	C	.	.			trans	-69.4	111.3	173.1	-55.1	0	0	0	0	110.5	F76 E77 V102 V104	F76-S79 VanDerWaalsContact O-CB 3.31Å; F76-S79 WeakPolarHBondContact O-CB 3.47Å; F76-S79 PolarHBondContact O-N 3.29Å; F76-S79 VanDerWaalsContact O-N 3.07Å; F76-S79 PolarHBondContact O-OG 3.2Å; E77-S79 PolarHBondContact O-N 2.95Å; S79-V102 CarbonylContact C-O 3.59Å; S79-V102 VanDerWaalsContact CA-O 3.24Å; S79-V102 WeakPolarHBondContact CA-O 3.18Å; S79-V104 PolarHBondContact OG-N 2.66Å
80	A	96.9	Very high	90.4	Very high	7 Å²	7	49.3 Å²	49.3	6%	0.058	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	169.3	-172.1	0	0	0	0	0	110.8	K26 Q27 R28 D78 Y82 V102	K26-A80 HydrophobicContact CD-CB 4.2Å; K26-A80 HydrophobicContact CG-CB 3.59Å; Q27-A80 VanDerWaalsContact O-CB 3.25Å; Q27-A80 WeakPolarHBondContact O-CB 3.49Å; R28-A80 HydrophobicContact CG-CB 4.45Å; D78-A80 PolarHBondContact O-N 2.76Å; D78-A80 VanDerWaalsContact O-N 3.15Å; A80-Y82 HydrophobicContact CB-CD2 4.32Å; A80-Y82 HydrophobicContact CB-CE2 3.8Å; A80-V102 PolarHBondContact N-O 2.86Å; A80-V102 PolarHBondContact O-N 2.62Å
81	V	97.8	Very high	88.4	Confident	40 Å²	40	48.9 Å²	48.9	24%	0.242	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	128.6	163.7	-172.4	0	0	0	0	108.3	Q27 Y83	Q27-V81 HydrophobicContact CB-CB 4.44Å; Q27-V81 PolarHBondContact N-O 2.81Å; Q27-V81 PolarHBondContact O-N 3.05Å; Q27-V81 VanDerWaalsContact O-N 3.08Å; V81-Y83 HydrophobicContact CB-CE2 3.82Å; V81-Y83 HydrophobicContact CG1-CD2 4.23Å; V81-Y83 HydrophobicContact CG1-CE1 4.05Å; V81-Y83 HydrophobicContact CG1-CE2 3.5Å; V81-Y83 VanDerWaalsContact CG1-CZ 3.41Å; V81-Y83 WeakPolarHBondContact CG1-OH 3.26Å
82	Y	98	Very high	87	Confident	3 Å²	3	53.9 Å²	53.9	1%	0.012	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.2	179.5	-70.1	-92.2	0	0	0	110	L8 V25 K26 I36 M69 L71 D78 A80 G99 T100 V102	L8-Y82 HydrophobicContact CD1-CD1 4.45Å; L8-Y82 HydrophobicContact CD1-CD2 4.2Å; L8-Y82 HydrophobicContact CD1-CG 3.82Å; V25-Y82 CarbonylContact O-C 3.5Å; V25-Y82 WeakPolarHBondContact O-CA 3.39Å; K26-Y82 HydrophobicContact CB-CD1 4.1Å; K26-Y82 HydrophobicContact CB-CE1 3.88Å; K26-Y82 HydrophobicContact CD-CE1 4Å; K26-Y82 HydrophobicContact CG-CD1 4.31Å; K26-Y82 HydrophobicContact CG-CE1 3.8Å; I36-Y82 HydrophobicContact CD1-CD1 3.8Å; I36-Y82 HydrophobicContact CD1-CE1 3.84Å; M69-Y82 HydrophobicContact CE-CD1 3.53Å; M69-Y82 HydrophobicContact CE-CE1 4.08Å; M69-Y82 HydrophobicContact CE-CG 4.16Å; L71-Y82 HydrophobicContact CD1-CD1 4.28Å; L71-Y82 HydrophobicContact CD1-CD2 4.27Å; L71-Y82 HydrophobicContact CD1-CE1 3.75Å; L71-Y82 HydrophobicContact CD1-CE2 3.8Å; L71-Y82 HydrophobicContact CD1-CG 4.47Å; L71-Y82 VanDerWaalsContact CD1-CZ 3.48Å; L71-Y82 HydrophobicContact CD2-CE1 4.01Å; L71-Y82 HydrophobicContact CG-CE1 4.49Å; D78-Y82 WeakPolarHBondContact O-CE2 3.46Å; D78-Y82 PolarHBondContact O-OH 3.3Å; A80-Y82 HydrophobicContact CB-CD2 4.32Å; A80-Y82 HydrophobicContact CB-CE2 3.8Å; Y82-G99 CarbonylContact O-C 3.44Å; Y82-G99 VanDerWaalsContact O-CA 3.3Å; Y82-G99 WeakPolarHBondContact O-CA 3.08Å; Y82-T100 PolarHBondContact N-O 2.91Å; Y82-T100 PolarHBondContact O-N 3.34Å; Y82-V102 HydrophobicContact CD2-CB 3.95Å; Y82-V102 HydrophobicContact CD2-CG2 3.7Å; Y82-V102 HydrophobicContact CE2-CB 3.8Å; Y82-V102 HydrophobicContact CE2-CG2 3.96Å
83	Y	97.3	Very high	86.1	Confident	44 Å²	44	54.5 Å²	54.5	17%	0.173	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	146.5	-179.7	-60	-90.7	0	0	0	110.1	W24 V25 Q27 V81 W96 G97 G99	W24-Y83 WeakPolarHBondContact CA-O 3.33Å; V25-Y83 PolarHBondContact N-O 2.75Å; V25-Y83 PolarHBondContact O-N 2.93Å; Q27-Y83 HydrophobicContact CB-CD2 4.19Å; Q27-Y83 HydrophobicContact CB-CE2 3.59Å; Q27-Y83 HydrophobicContact CG-CE2 4.4Å; Q27-Y83 VanDerWaalsContact OE1-CE2 3.23Å; Q27-Y83 PolarHBondContact OE1-OH 3.01Å; V81-Y83 HydrophobicContact CB-CE2 3.82Å; V81-Y83 HydrophobicContact CG1-CD2 4.23Å; V81-Y83 HydrophobicContact CG1-CE1 4.05Å; V81-Y83 HydrophobicContact CG1-CE2 3.5Å; V81-Y83 VanDerWaalsContact CG1-CZ 3.41Å; V81-Y83 WeakPolarHBondContact CG1-OH 3.26Å; Y83-W96 HydrophobicContact CD1-CE3 4.26Å; Y83-W96 AromaticContact CG-CE3 3.95Å; Y83-W96 HydrophobicContact CG-CE3 3.95Å; Y83-W96 HydrophobicContact CG-CZ3 4.16Å; Y83-G97 WeakPolarHBondContact CD1-O 3.5Å; Y83-G99 VanDerWaalsContact CE1-CA 3.48Å
84	C	95.8	Very high	85.2	Confident	17 Å²	17	53.2 Å²	53.2	12%	0.115	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	146.5	157.4	61.6	0	0	0	0	109.3	C10 M22 H23 W24 G97	C10-C84 HydrophobicContact CB-CB 3.4Å; C10-C84 VanDerWaalsContact CB-CB 3.4Å; C10-C84 WeakPolarHBondContact CB-SG 3.39Å; C10-C84 WeakPolarHBondContact SG-CB 3.29Å; C10-C84 CovalentContact SG-SG 2.02Å; C10-C84 PolarHBondContact SG-SG 3.01Å; M22-C84 HydrophobicContact CG-CB 4.43Å; M22-C84 HydrophobicContact SD-CB 3.75Å; H23-C84 CarbonylContact O-C 3.57Å; H23-C84 WeakPolarHBondContact O-CA 3.49Å; W24-C84 HydrophobicContact CD2-CB 4.46Å; W24-C84 HydrophobicContact CE3-CB 4.31Å; W24-C84 HydrophobicContact CH2-CB 4.41Å; W24-C84 HydrophobicContact CZ3-CB 4.29Å; C84-G97 PolarHBondContact O-N 2.87Å
85	A	94.1	Very high	84.8	Confident	1 Å²	1	60 Å²	60	1%	0.008	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	142.6	175.9	0	0	0	0	0	111.1	H23 M93 Y95 W96	H23-A85 HydrophobicContact CB-CB 4.46Å; H23-A85 PolarHBondContact N-O 2.85Å; H23-A85 PolarHBondContact O-N 3.49Å; A85-M93 HydrophobicContact CB-CB 3.97Å; A85-M93 HydrophobicContact CB-CG 4.17Å; A85-M93 HydrophobicContact CB-SD 4.04Å; A85-Y95 CarbonylContact C-O 3.54Å; A85-Y95 WeakPolarHBondContact CA-O 3.49Å; A85-Y95 WeakPolarHBondContact CB-O 3.31Å; A85-W96 HydrophobicContact CB-CD2 3.76Å; A85-W96 HydrophobicContact CB-CE3 4.14Å; A85-W96 HydrophobicContact CB-CG 4.06Å; A85-W96 HydrophobicContact CB-CZ2 4.22Å
86	R	90.9	Very high	84.7	Confident	30 Å²	30	62.3 Å²	62.3	11%	0.113	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	133.4	176.1	-176.3	-170.5	74.9	-172.1	3.3	109.3	Y15 Y20 M93 D94 Y95	Y15-R86 VanDerWaalsContact CE2-CD 3.4Å; Y15-R86 HydrophobicContact CE2-CG 4.28Å; Y15-R86 VanDerWaalsContact CZ-CD 3.49Å; Y20-R86 VanDerWaalsContact CB-CG 3.48Å; Y20-R86 HydrophobicContact CD1-CG 4.31Å; Y20-R86 HydrophobicContact CD2-CG 4.36Å; Y20-R86 HydrophobicContact CG-CG 3.8Å; R86-M93 CarbonylContact O-C 3.49Å; R86-M93 WeakPolarHBondContact O-CA 3.44Å; R86-D94 PolarHBondContact O-N 3.4Å; R86-Y95 PolarHBondContact N-O 2.79Å; R86-Y95 PolarHBondContact O-N 2.87Å
87	T	83.9	Confident	84.6	Confident	26 Å²	26	57.9 Å²	57.9	16%	0.16	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138.5	170.5	-145.1	0	0	0	0	111.8	Y20 W21 H23 P92 M93	Y20-T87 VanDerWaalsContact CD1-O 3.28Å; Y20-T87 WeakPolarHBondContact CD1-O 3.25Å; W21-T87 HydrophobicContact CB-CG2 4.25Å; W21-T87 PolarHBondContact O-N 2.92Å; H23-T87 WeakPolarHBondContact NE2-CG2 2.96Å; T87-P92 VanDerWaalsContact OG1-CA 3.29Å; T87-P92 WeakPolarHBondContact OG1-CA 3.23Å; T87-M93 PolarHBondContact OG1-N 2.91Å
88	T	69.1	Low	84.8	Confident	38 Å²	38	60.7 Å²	60.7	23%	0.233	33%	0.329	C	S	.	.			trans	-99.7	167.5	154.5	79.2	0	0	0	0	107.9	Y20 V90 D94	Y20-T88 HydrophobicContact CD1-CG2 3.66Å; Y20-T88 HydrophobicContact CE1-CG2 3.22Å; T88-V90 PolarHBondContact O-N 3.15Å; T88-D94 WeakPolarHBondContact CB-OD2 3.42Å; T88-D94 WeakPolarHBondContact CG2-OD2 3.17Å; T88-D94 PolarHBondContact N-OD2 3.01Å; T88-D94 PolarHBondContact OG1-OD2 3.2Å
89	V	64.4	Low	84.8	Confident	150 Å²	150	61.4 Å²	61.4	91%	0.909	34%	0.339	S	S	*	.	S	Bend	trans	-57	-26.4	-167.6	-171.1	0	0	0	0	112.5
90	V	52.8	Low	84.9	Confident	119 Å²	119	63 Å²	63	72%	0.721	35%	0.347	S	S	*	.	S	Bend	trans	-162.2	138.1	166.9	-169.5	0	0	0	0	110.5	T88	T88-V90 PolarHBondContact O-N 3.15Å
91	P	56.7	Low	84.9	Confident	79 Å²	79	66.6 Å²	66.6	51%	0.513	37%	0.372	S	S	.	.	S	Bend	cis	-71.5	162	-6.8	11.5	-7.5	0	0	0	114.6	M93 D94	P91-M93 PolarHBondContact O-N 2.58Å; P91-D94 WeakPolarHBondContact CD-OD1 3.44Å; P91-D94 WeakPolarHBondContact CG-OD1 3.32Å; P91-D94 VanDerWaalsContact O-CG 3.32Å
92	P	67.8	Low	84.9	Confident	106 Å²	106	65.4 Å²	65.4	69%	0.688	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	129.2	176.1	25.4	-30	0	0	0	110.9	T87	T87-P92 VanDerWaalsContact OG1-CA 3.29Å; T87-P92 WeakPolarHBondContact OG1-CA 3.23Å
93	M	76.8	Confident	84.8	Confident	39 Å²	39	70.1 Å²	70.1	19%	0.192	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	54.6	175.5	-53.9	-171	-164.5	0	0	115.4	H23 V25 A85 R86 T87 P91 Y95 W96	H23-M93 HydrophobicContact CB-CE 3.8Å; H23-M93 HydrophobicContact CB-SD 4.09Å; H23-M93 VanDerWaalsContact ND1-CE 3.28Å; H23-M93 WeakPolarHBondContact ND1-CE 3.06Å; V25-M93 HydrophobicContact CG2-SD 4.27Å; A85-M93 HydrophobicContact CB-CB 3.97Å; A85-M93 HydrophobicContact CB-CG 4.17Å; A85-M93 HydrophobicContact CB-SD 4.04Å; R86-M93 CarbonylContact O-C 3.49Å; R86-M93 WeakPolarHBondContact O-CA 3.44Å; T87-M93 PolarHBondContact OG1-N 2.91Å; P91-M93 PolarHBondContact O-N 2.58Å; M93-Y95 PolarHBondContact O-N 2.64Å; M93-W96 HydrophobicContact CB-CZ2 4.04Å; M93-W96 PolarHBondContact O-NE1 3.21Å; M93-W96 HydrophobicContact SD-CH2 4.06Å; M93-W96 HydrophobicContact SD-CZ2 3.63Å
94	D	77.6	Confident	84.7	Confident	51 Å²	51	68.2 Å²	68.2	27%	0.273	39%	0.387	S	S	.	.			trans	-57.7	-28	-178.4	-58.8	-39.7	0	0	0	115.2	R86 T88 P91	R86-D94 PolarHBondContact O-N 3.4Å; T88-D94 WeakPolarHBondContact CB-OD2 3.42Å; T88-D94 WeakPolarHBondContact CG2-OD2 3.17Å; T88-D94 PolarHBondContact N-OD2 3.01Å; T88-D94 PolarHBondContact OG1-OD2 3.2Å; P91-D94 WeakPolarHBondContact CD-OD1 3.44Å; P91-D94 WeakPolarHBondContact CG-OD1 3.32Å; P91-D94 VanDerWaalsContact O-CG 3.32Å
95	Y	88	Confident	84.6	Confident	148 Å²	148	70.8 Å²	70.8	58%	0.58	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134	130.6	-175.8	-67.1	-95.2	0	0	0	111.5	A85 R86 M93	A85-Y95 CarbonylContact C-O 3.54Å; A85-Y95 WeakPolarHBondContact CA-O 3.49Å; A85-Y95 WeakPolarHBondContact CB-O 3.31Å; R86-Y95 PolarHBondContact N-O 2.79Å; R86-Y95 PolarHBondContact O-N 2.87Å; M93-Y95 PolarHBondContact O-N 2.64Å
96	W	92.9	Very high	84.2	Confident	109 Å²	109	77.5 Å²	77.5	41%	0.413	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.5	180	-68.9	67.8	0	0	0	110.7	V25 L33 Y83 A85 M93	V25-W96 HydrophobicContact CB-CH2 4.03Å; V25-W96 HydrophobicContact CB-CZ3 3.83Å; V25-W96 HydrophobicContact CG1-CH2 4.07Å; V25-W96 HydrophobicContact CG1-CZ3 4.08Å; V25-W96 HydrophobicContact CG2-CH2 3.67Å; V25-W96 HydrophobicContact CG2-CZ3 3.86Å; L33-W96 HydrophobicContact CD1-CH2 4.11Å; Y83-W96 HydrophobicContact CD1-CE3 4.26Å; Y83-W96 AromaticContact CG-CE3 3.95Å; Y83-W96 HydrophobicContact CG-CE3 3.95Å; Y83-W96 HydrophobicContact CG-CZ3 4.16Å; A85-W96 HydrophobicContact CB-CD2 3.76Å; A85-W96 HydrophobicContact CB-CE3 4.14Å; A85-W96 HydrophobicContact CB-CG 4.06Å; A85-W96 HydrophobicContact CB-CZ2 4.22Å; M93-W96 HydrophobicContact CB-CZ2 4.04Å; M93-W96 PolarHBondContact O-NE1 3.21Å; M93-W96 HydrophobicContact SD-CH2 4.06Å; M93-W96 HydrophobicContact SD-CZ2 3.63Å
97	G	93.8	Very high	83.9	Confident	29 Å²	29	79.9 Å²	79.9	30%	0.299	47%	0.469	S	S	.	.			trans	-66.8	165.9	165	0	0	0	0	0	111.4	Y83 C84 G99	Y83-G97 WeakPolarHBondContact CD1-O 3.5Å; C84-G97 PolarHBondContact O-N 2.87Å; G97-G99 PolarHBondContact O-N 2.91Å; G97-G99 VanDerWaalsContact O-N 3.1Å
98	Q	95	Very high	83.9	Confident	188 Å²	188	82.7 Å²	82.7	88%	0.879	49%	0.486	S	S	*	.			trans	-64.7	-14.7	179.9	-65.1	-63.1	-51	0	0	114
99	G	96.1	Very high	84.7	Confident	26 Å²	26	85.2 Å²	85.2	27%	0.268	50%	0.5	S	S	.	.			trans	84.3	148.4	-174.6	0	0	0	0	0	112.5	Y82 Y83 G97	Y82-G99 CarbonylContact O-C 3.44Å; Y82-G99 VanDerWaalsContact O-CA 3.3Å; Y82-G99 WeakPolarHBondContact O-CA 3.08Å; Y83-G99 VanDerWaalsContact CE1-CA 3.48Å; G97-G99 PolarHBondContact O-N 2.91Å; G97-G99 VanDerWaalsContact O-N 3.1Å
100	T	97.4	Very high	85.9	Confident	73 Å²	73	81.4 Å²	81.4	45%	0.448	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.5	176.7	-60.8	0	0	0	0	109.1	L8 Y82 V102	L8-T100 HydrophobicContact CD2-CG2 4.09Å; Y82-T100 PolarHBondContact N-O 2.91Å; Y82-T100 PolarHBondContact O-N 3.34Å; T100-V102 PolarHBondContact O-N 3.47Å
101	S	97	Very high	88	Confident	83 Å²	83	79.1 Å²	79.1	58%	0.58	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	124	174.2	-171.5	0	0	0	0	110.2
102	V	96.6	Very high	90.1	Very high	14 Å²	14	79.1 Å²	79.1	9%	0.085	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125	167.3	177	0	0	0	0	107.1	V6 L8 L71 L74 S79 A80 Y82 T100 V104	V6-V102 HydrophobicContact CG2-CG1 4.34Å; V6-V102 HydrophobicContact CG2-CG2 4.48Å; L8-V102 HydrophobicContact CD1-CG2 4.14Å; L8-V102 HydrophobicContact CD2-CG2 4Å; L71-V102 HydrophobicContact CD1-CG2 4.46Å; L74-V102 HydrophobicContact CD1-CG1 4.43Å; L74-V102 HydrophobicContact CD2-CG1 4.46Å; S79-V102 CarbonylContact C-O 3.59Å; S79-V102 VanDerWaalsContact CA-O 3.24Å; S79-V102 WeakPolarHBondContact CA-O 3.18Å; A80-V102 PolarHBondContact N-O 2.86Å; A80-V102 PolarHBondContact O-N 2.62Å; Y82-V102 HydrophobicContact CD2-CB 3.95Å; Y82-V102 HydrophobicContact CD2-CG2 3.7Å; Y82-V102 HydrophobicContact CE2-CB 3.8Å; Y82-V102 HydrophobicContact CE2-CG2 3.96Å; T100-V102 PolarHBondContact O-N 3.47Å; V102-V104 HydrophobicContact CG1-CG2 4.48Å
103	T	96.3	Very high	91.7	Very high	102 Å²	102	77.1 Å²	77.1	63%	0.626	44%	0.44	S	S	*	.			trans	-120.8	126.8	179	-54.7	0	0	0	0	109.4
104	V	95.4	Very high	92.8	Very high	5 Å²	5	80.1 Å²	80.1	3%	0.03	46%	0.459	C	S	.	.			trans	-111.8	104.4	177.3	-171.4	0	0	0	0	108.1	P2 L74 T75 F76 D78 S79 V102	P2-V104 HydrophobicContact CG-CG1 4.07Å; L74-V104 HydrophobicContact CB-CG1 4.38Å; L74-V104 HydrophobicContact CB-CG2 3.91Å; L74-V104 HydrophobicContact CD1-CG2 4.14Å; L74-V104 HydrophobicContact CD2-CG2 4.28Å; L74-V104 HydrophobicContact CG-CG2 4.35Å; T75-V104 WeakPolarHBondContact O-CB 3.5Å; T75-V104 WeakPolarHBondContact O-CG2 3.28Å; F76-V104 WeakPolarHBondContact CD1-O 3.4Å; D78-V104 HydrophobicContact CB-CG2 4.44Å; S79-V104 PolarHBondContact OG-N 2.66Å; V102-V104 HydrophobicContact CG1-CG2 4.48Å
105	S	93.6	Very high	94.1	Very high	70 Å²	70	82.5 Å²	82.5	49%	0.49	48%	0.475	S	S	.	.			trans	-117.5	160.9	173.9	69.4	0	0	0	0	111.2	P2	P2-S105 WeakPolarHBondContact CD-O 3.4Å
106	S	86.8	Confident	94.6	Very high	143 Å²	143	76.5 Å²	76.5	100%	1	47%	0.465	S	S	*	.			trans	-63.8	0	166.4	-172.2	0	0	0	0	111.8

Retrieved 106 of 106 residues in 69.9 ms (Link to these results)

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