X5J509_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J509, Species MOUSE (Mus musculus, Mouse), Gene Ighv4-2, Length 109 aa.

						>X5J509_MOUSE|X5J509|Ighv4-2
GGLVQPGGSLKLSCAASGFDFSRYWMSWVRQAPGKGLEWIGEINPDSSTINYTPSLKDKFIISRDNAKNTLYLQMSKVRSEDTALYYCASNWDVGFAYWGQGTLVTVSA
					

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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	G	60.9	Low	88.2	Confident	87 Å²	87	65.7 Å²	65.7	90%	0.897	44%	0.439	S	S	*	.				0	158.6	0	0	0	0	0	0	110.1	T103 L104	G1-T103 WeakPolarHBondContact CA-OG1 3.09Å; G1-T103 PolarHBondContact N-OG1 3.07Å; G1-L104 CarbonylContact C-O 3.5Å; G1-L104 WeakPolarHBondContact CA-O 3.27Å
2	G	78.7	Confident	88.9	Confident	25 Å²	25	61.3 Å²	61.3	26%	0.258	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	137	-177.7	0	0	0	0	0	111.4	L104 T106	G2-L104 PolarHBondContact N-O 3.16Å; G2-T106 PolarHBondContact O-N 3.3Å; G2-T106 VanDerWaalsContact O-N 3.09Å
3	L	86.1	Confident	89.6	Confident	122 Å²	122	63 Å²	63	64%	0.639	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	126.8	165.2	179.5	63.9	0	0	0	107.7	T106 S108	L3-T106 WeakPolarHBondContact CA-O 3.4Å; L3-T106 HydrophobicContact CD1-CG2 3.96Å; L3-S108 WeakPolarHBondContact CD1-OG 3.24Å
4	V	90.5	Very high	90.1	Very high	21 Å²	21	59.8 Å²	59.8	13%	0.127	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	142.2	-179.5	64.7	0	0	0	0	110.3	V78 V105 T106 V107 S108	V4-V78 HydrophobicContact CB-CG2 4.42Å; V4-V78 HydrophobicContact CG1-CB 4.47Å; V4-V78 HydrophobicContact CG1-CG2 3.61Å; V4-V78 HydrophobicContact CG2-CG2 3.92Å; V4-V105 HydrophobicContact CG1-CG1 4.4Å; V4-T106 PolarHBondContact N-O 2.8Å; V4-V107 HydrophobicContact CG1-CB 4.39Å; V4-V107 HydrophobicContact CG1-CG1 4.38Å; V4-V107 HydrophobicContact CG1-CG2 3.75Å; V4-V107 VanDerWaalsContact O-CA 3.32Å; V4-V107 WeakPolarHBondContact O-CA 3.31Å; V4-S108 PolarHBondContact O-N 2.73Å
5	Q	92	Very high	90.6	Very high	98 Å²	98	61.1 Å²	61.1	46%	0.458	42%	0.417	S	S	.	.			trans	-74.9	145.7	177.5	-71.2	-69.2	-24.9	0	0	110.7	G7 G8 S108 A109	Q5-G7 PolarHBondContact O-N 3.23Å; Q5-G8 PolarHBondContact O-N 3.25Å; Q5-S108 PolarHBondContact NE2-O 2.95Å; Q5-S108 PolarHBondContact OE1-O 3.1Å; Q5-A109 PolarHBondContact NE2-OXT 3.03Å; Q5-A109 VanDerWaalsContact OE1-CA 3.31Å; Q5-A109 PolarHBondContact OE1-OXT 3.37Å
6	P	93.6	Very high	90.8	Very high	69 Å²	69	58.3 Å²	58.3	45%	0.448	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	139.9	173.3	-25.4	33.5	0	0	0	112.3	G8 V78 V107	P6-G8 PolarHBondContact O-N 2.98Å; P6-V78 CarbonylContact C-O 3.59Å; P6-V78 WeakPolarHBondContact CA-O 3.46Å; P6-V107 HydrophobicContact CB-CG1 4.48Å; P6-V107 HydrophobicContact CG-CG1 4.13Å
7	G	92.1	Very high	90.9	Very high	55 Å²	55	60.9 Å²	60.9	57%	0.567	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	-11.3	-175.4	0	0	0	0	0	114.6	Q5 V78	Q5-G7 PolarHBondContact O-N 3.23Å; G7-V78 PolarHBondContact N-O 2.93Å
8	G	92.4	Very high	90.8	Very high	24 Å²	24	61.8 Å²	61.8	25%	0.247	44%	0.439	C	S	.	.			trans	-70.6	-178.5	175.4	0	0	0	0	0	114.3	Q5 P6 K77 V78	Q5-G8 PolarHBondContact O-N 3.25Å; P6-G8 PolarHBondContact O-N 2.98Å; G8-K77 WeakPolarHBondContact O-CA 3.31Å; G8-K77 PolarHBondContact O-N 3.34Å; G8-V78 WeakPolarHBondContact O-CG2 3.46Å; G8-V78 PolarHBondContact O-N 3.39Å
9	S	93.6	Very high	90.8	Very high	71 Å²	71	60.6 Å²	60.6	50%	0.497	43%	0.425	S	S	.	.			trans	-130.3	147.8	175.5	-61.8	0	0	0	0	110.2	M75	S9-M75 CarbonylContact C-O 3.6Å; S9-M75 WeakPolarHBondContact CA-O 3.44Å; S9-M75 WeakPolarHBondContact CB-O 3.31Å
10	L	94.1	Very high	90.9	Very high	41 Å²	41	61.2 Å²	61.2	22%	0.215	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	149.3	179	-178.2	65.6	0	0	0	109.6	L12 M75 V105	L10-L12 HydrophobicContact CD2-CD2 3.65Å; L10-L12 HydrophobicContact CD2-CG 4.45Å; L10-L12 HydrophobicContact CG-CD2 4.1Å; L10-M75 HydrophobicContact CD2-SD 4.34Å; L10-M75 PolarHBondContact N-O 3.27Å; L10-M75 PolarHBondContact O-N 2.95Å; L10-V105 HydrophobicContact CD2-CG1 3.87Å; L10-V105 HydrophobicContact CD2-CG2 3.83Å
11	K	96.1	Very high	91	Very high	110 Å²	110	58.2 Å²	58.2	48%	0.478	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.2	169.4	-168.4	176.4	-178.9	177.8	0	109.6	Y72 L73 Q74	K11-Y72 HydrophobicContact CD-CD1 4.46Å; K11-Y72 VanDerWaalsContact CE-CD1 3.48Å; K11-L73 CarbonylContact C-O 3.54Å; K11-L73 WeakPolarHBondContact CA-O 3.21Å; K11-Q74 VanDerWaalsContact CB-OE1 3.31Å
12	L	97.3	Very high	92.6	Very high	13 Å²	13	56.2 Å²	56.2	7%	0.068	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	149.3	170.5	-55.3	-178.5	0	0	0	109.9	L10 W28 Y72 L73 M75 Y86 T103 V105	L10-L12 HydrophobicContact CD2-CD2 3.65Å; L10-L12 HydrophobicContact CD2-CG 4.45Å; L10-L12 HydrophobicContact CG-CD2 4.1Å; L12-W28 HydrophobicContact CB-CH2 3.8Å; L12-W28 HydrophobicContact CB-CZ2 4.19Å; L12-W28 HydrophobicContact CB-CZ3 4.41Å; L12-W28 HydrophobicContact CD1-CH2 4.4Å; L12-W28 HydrophobicContact CD1-CZ3 4.18Å; L12-Y72 WeakPolarHBondContact O-CA 3.32Å; L12-L73 HydrophobicContact CB-CB 4.21Å; L12-L73 HydrophobicContact CD1-CD2 4.29Å; L12-L73 PolarHBondContact N-O 3.15Å; L12-L73 PolarHBondContact O-N 2.99Å; L12-M75 HydrophobicContact CD1-SD 4.02Å; L12-M75 HydrophobicContact CG-SD 4.11Å; L12-Y86 HydrophobicContact CD1-CD1 4.01Å; L12-Y86 HydrophobicContact CD1-CD2 4.23Å; L12-Y86 HydrophobicContact CD1-CG 3.68Å; L12-T103 HydrophobicContact CD1-CG2 3.9Å; L12-T103 HydrophobicContact CD2-CG2 4.04Å; L12-T103 HydrophobicContact CG-CG2 4.48Å; L12-V105 HydrophobicContact CD1-CG2 4.05Å; L12-V105 HydrophobicContact CD2-CG2 3.84Å; L12-V105 HydrophobicContact CG-CG2 4.49Å
13	S	97.4	Very high	93.3	Very high	83 Å²	83	63.9 Å²	63.9	58%	0.58	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	148	170.5	57.7	0	0	0	0	110.3	L71	S13-L71 CarbonylContact C-O 3.55Å; S13-L71 WeakPolarHBondContact CA-O 3.02Å
14	C	97.1	Very high	93.6	Very high	18 Å²	18	60.4 Å²	60.4	12%	0.122	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	109.6	172.4	164.6	0	0	0	0	108.7	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.99Å; C14-W28 HydrophobicContact CB-CZ2 4.07Å; C14-T70 CarbonylContact O-C 3.43Å; C14-T70 WeakPolarHBondContact O-CA 3.47Å; C14-L71 HydrophobicContact CB-CB 4.41Å; C14-L71 PolarHBondContact N-O 3.01Å; C14-L71 PolarHBondContact O-N 2.96Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.47Å; C14-C88 WeakPolarHBondContact SG-CB 3.31Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.34Å
15	A	96.7	Very high	93.9	Very high	79 Å²	79	63.5 Å²	63.5	65%	0.653	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	124.4	173.2	0	0	0	0	0	109.5
16	A	94.2	Very high	94.1	Very high	16 Å²	16	59 Å²	59	13%	0.132	36%	0.363	C	S	.	.			trans	-91.4	146.2	177.1	0	0	0	0	0	111.1	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 3.83Å; A16-F19 HydrophobicContact CB-CE2 4.45Å; A16-F19 HydrophobicContact CB-CZ 3.61Å; A16-F21 HydrophobicContact CB-CB 4.2Å; A16-F21 HydrophobicContact CB-CD2 3.44Å; A16-F21 VanDerWaalsContact CB-CD2 3.44Å; A16-F21 HydrophobicContact CB-CE2 4.16Å; A16-F21 HydrophobicContact CB-CG 4.16Å; A16-N69 PolarHBondContact N-O 2.93Å
17	S	92.3	Very high	94.3	Very high	104 Å²	104	55.7 Å²	55.7	73%	0.727	34%	0.342	S	S	*	.			trans	-148.2	158.1	173.5	60	0	0	0	0	109.5	F19	S17-F19 WeakPolarHBondContact O-CD1 3.31Å
18	G	89.6	Confident	94.6	Very high	77 Å²	77	53.2 Å²	53.2	79%	0.794	32%	0.315	S	S	*	.	S	Bend	trans	85.9	-0.8	178.1	0	0	0	0	0	115.9
19	F	90	Very high	94.8	Very high	39 Å²	39	52.3 Å²	52.3	17%	0.171	31%	0.305	C	S	.	.	S	Bend	trans	-152.6	163.9	174.2	64.9	-81.8	0	0	0	111.1	A16 S17 F21 Y24 M26 Y98	A16-F19 HydrophobicContact CB-CE1 3.83Å; A16-F19 HydrophobicContact CB-CE2 4.45Å; A16-F19 HydrophobicContact CB-CZ 3.61Å; S17-F19 WeakPolarHBondContact O-CD1 3.31Å; F19-F21 VanDerWaalsContact C-N 3.34Å; F19-F21 HydrophobicContact CE2-CB 4.32Å; F19-F21 HydrophobicContact CE2-CD2 4.4Å; F19-F21 HydrophobicContact CZ-CD2 4.45Å; F19-F21 PolarHBondContact O-N 2.8Å; F19-Y24 AromaticContact CD2-CD2 3.69Å; F19-Y24 HydrophobicContact CD2-CD2 3.69Å; F19-Y24 HydrophobicContact CD2-CE2 4.19Å; F19-Y24 HydrophobicContact CD2-CG 4.48Å; F19-Y24 HydrophobicContact CE2-CD2 4.23Å; F19-M26 HydrophobicContact CE2-SD 3.97Å; F19-M26 HydrophobicContact CZ-CE 4.12Å; F19-M26 HydrophobicContact CZ-SD 4.09Å; F19-Y98 HydrophobicContact CB-CD2 4.33Å; F19-Y98 HydrophobicContact CB-CE2 3.87Å; F19-Y98 AromaticContact CD1-CD2 3.65Å; F19-Y98 HydrophobicContact CD1-CD2 3.65Å; F19-Y98 HydrophobicContact CD1-CE2 4.02Å; F19-Y98 AromaticContact CD1-CG 3.99Å; F19-Y98 HydrophobicContact CD1-CG 3.99Å; F19-Y98 HydrophobicContact CD2-CD2 4.49Å; F19-Y98 HydrophobicContact CE1-CD2 4.02Å; F19-Y98 HydrophobicContact CE1-CG 4.13Å; F19-Y98 AromaticContact CG-CD2 3.92Å; F19-Y98 HydrophobicContact CG-CD2 3.92Å; F19-Y98 AromaticContact CG-CE2 3.98Å; F19-Y98 HydrophobicContact CG-CE2 3.98Å
20	D	92.5	Very high	95	Very high	71 Å²	71	50.2 Å²	50.2	38%	0.38	29%	0.286	S	S	.	.			trans	-75.8	84.5	176	-176	-4.7	0	0	0	110.6	S22 R23 Y24	D20-S22 PolarHBondContact O-N 3.17Å; D20-S22 WeakPolarHBondContact OD1-CB 3.31Å; D20-S22 PolarHBondContact OD1-N 2.87Å; D20-S22 PolarHBondContact OD1-OG 3.12Å; D20-R23 HydrophobicContact CB-CG 4.44Å; D20-R23 PolarHBondContact O-N 3.49Å; D20-R23 WeakPolarHBondContact OD2-CD 3.43Å; D20-R23 VanDerWaalsContact OD2-CG 3.27Å; D20-R23 WeakPolarHBondContact OD2-CG 3.46Å; D20-R23 IonicContact OD2-NE 3.19Å; D20-R23 PolarHBondContact OD2-NE 3.37Å; D20-Y24 WeakPolarHBondContact O-CD2 3.38Å; D20-Y24 WeakPolarHBondContact O-CE2 3.29Å
21	F	94.4	Very high	95.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-47	-37.2	-179.7	176.7	-96	0	0	0	113.1	A16 F19 R23 Y24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CB 4.2Å; A16-F21 HydrophobicContact CB-CD2 3.44Å; A16-F21 VanDerWaalsContact CB-CD2 3.44Å; A16-F21 HydrophobicContact CB-CE2 4.16Å; A16-F21 HydrophobicContact CB-CG 4.16Å; F19-F21 VanDerWaalsContact C-N 3.34Å; F19-F21 HydrophobicContact CE2-CB 4.32Å; F19-F21 HydrophobicContact CE2-CD2 4.4Å; F19-F21 HydrophobicContact CZ-CD2 4.45Å; F19-F21 PolarHBondContact O-N 2.8Å; F21-R23 PolarHBondContact O-N 3.09Å; F21-Y24 PolarHBondContact O-N 2.67Å; F21-M26 HydrophobicContact CD2-CE 4.14Å; F21-M26 HydrophobicContact CD2-CG 4.01Å; F21-M26 HydrophobicContact CD2-SD 3.88Å; F21-M26 HydrophobicContact CE2-CE 3.9Å; F21-M26 HydrophobicContact CE2-CG 3.54Å; F21-M26 HydrophobicContact CE2-SD 3.9Å; F21-M26 HydrophobicContact CZ-CG 4.07Å; F21-R64 HydrophobicContact CE1-CB 4.22Å; F21-R64 VanDerWaalsContact CE1-NH2 3.32Å; F21-R64 HydrophobicContact CZ-CB 4.1Å; F21-R64 PolarHBondContact O-NH2 3.04Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.39Å; F21-N69 HydrophobicContact CB-CB 3.97Å; F21-N69 HydrophobicContact CD1-CB 4.34Å; F21-N69 HydrophobicContact CG-CB 4.15Å; F21-L71 HydrophobicContact CE2-CB 4.2Å; F21-L71 HydrophobicContact CZ-CB 4.19Å
22	S	94.1	Very high	95.2	Very high	45 Å²	45	47.1 Å²	47.1	32%	0.315	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-65.6	-18.7	-176	77.6	0	0	0	0	113.9	D20 P45	D20-S22 PolarHBondContact O-N 3.17Å; D20-S22 WeakPolarHBondContact OD1-CB 3.31Å; D20-S22 PolarHBondContact OD1-N 2.87Å; D20-S22 PolarHBondContact OD1-OG 3.12Å; S22-P45 VanDerWaalsContact O-CB 3.31Å; S22-P45 WeakPolarHBondContact O-CB 3.32Å
23	R	93	Very high	95.1	Very high	185 Å²	185	51.5 Å²	51.5	70%	0.698	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-95.7	-15.1	-177.9	-72	-174.8	172.9	-166.8	-6.4	114.9	D20 F21 P45	D20-R23 HydrophobicContact CB-CG 4.44Å; D20-R23 PolarHBondContact O-N 3.49Å; D20-R23 WeakPolarHBondContact OD2-CD 3.43Å; D20-R23 VanDerWaalsContact OD2-CG 3.27Å; D20-R23 WeakPolarHBondContact OD2-CG 3.46Å; D20-R23 IonicContact OD2-NE 3.19Å; D20-R23 PolarHBondContact OD2-NE 3.37Å; F21-R23 PolarHBondContact O-N 3.09Å; R23-P45 WeakPolarHBondContact O-CG 3.23Å
24	Y	93.6	Very high	95	Very high	50 Å²	50	51.8 Å²	51.8	20%	0.196	32%	0.321	C	S	.	.	S	Bend	trans	-106	148.8	-173.9	-61.7	-81.7	0	0	0	112.1	F19 D20 F21 R64 N91 W92	F19-Y24 AromaticContact CD2-CD2 3.69Å; F19-Y24 HydrophobicContact CD2-CD2 3.69Å; F19-Y24 HydrophobicContact CD2-CE2 4.19Å; F19-Y24 HydrophobicContact CD2-CG 4.48Å; F19-Y24 HydrophobicContact CE2-CD2 4.23Å; D20-Y24 WeakPolarHBondContact O-CD2 3.38Å; D20-Y24 WeakPolarHBondContact O-CE2 3.29Å; F21-Y24 PolarHBondContact O-N 2.67Å; Y24-R64 PolarHBondContact O-NH1 3.3Å; Y24-N91 WeakPolarHBondContact CD1-O 3.04Å; Y24-W92 AromaticContact CD1-CD1 3.95Å; Y24-W92 HydrophobicContact CD1-CD2 4.06Å; Y24-W92 AromaticContact CD1-CE2 3.78Å; Y24-W92 HydrophobicContact CD1-CG 4.25Å; Y24-W92 HydrophobicContact CD1-CZ2 4.28Å; Y24-W92 AromaticContact CD1-NE1 3.66Å; Y24-W92 AromaticContact CE1-CD2 3.47Å; Y24-W92 HydrophobicContact CE1-CD2 3.47Å; Y24-W92 VanDerWaalsContact CE1-CD2 3.47Å; Y24-W92 AromaticContact CE1-CE2 3.17Å; Y24-W92 AromaticContact CE1-CE3 3.79Å; Y24-W92 HydrophobicContact CE1-CE3 3.79Å; Y24-W92 HydrophobicContact CE1-CG 4.14Å; Y24-W92 AromaticContact CE1-CH2 3.7Å; Y24-W92 HydrophobicContact CE1-CH2 3.7Å; Y24-W92 AromaticContact CE1-CZ2 3.33Å; Y24-W92 HydrophobicContact CE1-CZ2 3.33Å; Y24-W92 AromaticContact CE1-CZ3 3.89Å; Y24-W92 HydrophobicContact CE1-CZ3 3.89Å; Y24-W92 AromaticContact CE1-NE1 3.57Å; Y24-W92 HydrophobicContact CE2-CZ2 4.05Å; Y24-W92 AromaticContact CZ-CE2 3.59Å; Y24-W92 AromaticContact CZ-CH2 3.52Å; Y24-W92 AromaticContact CZ-CZ2 3.2Å; Y24-W92 WeakPolarHBondContact OH-CH2 3.3Å; Y24-W92 WeakPolarHBondContact OH-CZ2 2.86Å
25	W	95.8	Very high	94.9	Very high	86 Å²	86	57 Å²	57	33%	0.326	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	144.9	160	-74.9	66.9	0	0	0	108.9	E42 I43 N44 T49 N91	W25-E42 HydrophobicContact CE3-CB 4.21Å; W25-E42 HydrophobicContact CE3-CG 3.48Å; W25-E42 VanDerWaalsContact CE3-CG 3.48Å; W25-E42 VanDerWaalsContact CZ3-CD 3.48Å; W25-E42 HydrophobicContact CZ3-CG 3.6Å; W25-E42 WeakPolarHBondContact CZ3-OE1 3.01Å; W25-I43 WeakPolarHBondContact CA-O 3.37Å; W25-N44 HydrophobicContact CD2-CB 3.66Å; W25-N44 HydrophobicContact CE3-CB 3.97Å; W25-N44 HydrophobicContact CG-CB 4.32Å; W25-N44 HydrophobicContact CH2-CB 3.78Å; W25-N44 HydrophobicContact CZ2-CB 3.42Å; W25-N44 VanDerWaalsContact CZ2-CB 3.42Å; W25-N44 HydrophobicContact CZ3-CB 4.02Å; W25-T49 HydrophobicContact CH2-CG2 3.94Å; W25-T49 HydrophobicContact CZ3-CG2 4.5Å; W25-N91 HydrophobicContact CB-CB 3.93Å; W25-N91 PolarHBondContact O-N 3.35Å
26	M	97.1	Very high	94.8	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.015	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.6	-176.6	-64.1	-60.1	-54.2	0	0	109.7	F19 F21 E42 I43 L71 A89	F19-M26 HydrophobicContact CE2-SD 3.97Å; F19-M26 HydrophobicContact CZ-CE 4.12Å; F19-M26 HydrophobicContact CZ-SD 4.09Å; F21-M26 HydrophobicContact CD2-CE 4.14Å; F21-M26 HydrophobicContact CD2-CG 4.01Å; F21-M26 HydrophobicContact CD2-SD 3.88Å; F21-M26 HydrophobicContact CE2-CE 3.9Å; F21-M26 HydrophobicContact CE2-CG 3.54Å; F21-M26 HydrophobicContact CE2-SD 3.9Å; F21-M26 HydrophobicContact CZ-CG 4.07Å; M26-E42 CarbonylContact O-C 3.59Å; M26-E42 WeakPolarHBondContact O-CA 3.32Å; M26-I43 HydrophobicContact CB-CG2 4.27Å; M26-I43 PolarHBondContact N-O 2.78Å; M26-I43 PolarHBondContact O-N 2.9Å; M26-L71 HydrophobicContact CB-CD1 3.75Å; M26-L71 HydrophobicContact CB-CD2 3.93Å; M26-L71 HydrophobicContact CB-CG 4.35Å; M26-A89 CarbonylContact C-O 3.49Å; M26-A89 WeakPolarHBondContact CA-O 3.36Å; M26-A89 WeakPolarHBondContact CE-O 3.39Å
27	S	97.3	Very high	94.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	153.5	-175.8	-63.3	0	0	0	0	112.6	W39 G41 E42 C88 A89 N91 F96	S27-W39 PolarHBondContact OG-NE1 2.93Å; S27-G41 CarbonylContact C-O 3.58Å; S27-G41 VanDerWaalsContact CA-O 3.27Å; S27-G41 WeakPolarHBondContact CA-O 3.4Å; S27-E42 VanDerWaalsContact OG-CB 3.31Å; S27-E42 WeakPolarHBondContact OG-CB 3.1Å; S27-C88 CarbonylContact O-C 3.43Å; S27-C88 VanDerWaalsContact O-CA 3.28Å; S27-C88 WeakPolarHBondContact O-CA 3.46Å; S27-A89 PolarHBondContact N-O 3.21Å; S27-A89 PolarHBondContact O-N 2.78Å; S27-N91 VanDerWaalsContact OG-CG 3.29Å; S27-N91 PolarHBondContact OG-ND2 3.03Å; S27-N91 PolarHBondContact OG-OD1 3Å; S27-F96 WeakPolarHBondContact OG-CE1 3.4Å
28	W	97.9	Very high	95	Very high	3 Å²	3	58 Å²	58	1%	0.011	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	137.6	160	-78.9	99	0	0	0	110.2	L12 C14 I40 G41 L71 Y72 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.8Å; L12-W28 HydrophobicContact CB-CZ2 4.19Å; L12-W28 HydrophobicContact CB-CZ3 4.41Å; L12-W28 HydrophobicContact CD1-CH2 4.4Å; L12-W28 HydrophobicContact CD1-CZ3 4.18Å; C14-W28 HydrophobicContact CB-CH2 3.99Å; C14-W28 HydrophobicContact CB-CZ2 4.07Å; W28-I40 HydrophobicContact CB-CB 4.11Å; W28-I40 HydrophobicContact CB-CD1 4.18Å; W28-I40 WeakPolarHBondContact O-CB 2.87Å; W28-I40 PolarHBondContact O-N 2.56Å; W28-G41 PolarHBondContact N-O 2.7Å; W28-L71 HydrophobicContact CD2-CD2 4.35Å; W28-L71 HydrophobicContact CG-CD2 4.24Å; W28-L71 HydrophobicContact CZ2-CD2 4.38Å; W28-L71 HydrophobicContact CZ2-CG 4.5Å; W28-L71 VanDerWaalsContact NE1-CD2 3.26Å; W28-Y72 PolarHBondContact NE1-O 3.48Å; W28-L73 HydrophobicContact CB-CD1 4.29Å; W28-L73 HydrophobicContact CB-CD2 4.44Å; W28-L73 HydrophobicContact CD2-CB 3.9Å; W28-L73 HydrophobicContact CD2-CD2 4.12Å; W28-L73 HydrophobicContact CD2-CG 4.44Å; W28-L73 HydrophobicContact CE3-CD2 4.32Å; W28-L73 HydrophobicContact CG-CB 4.14Å; W28-L73 HydrophobicContact CG-CD1 3.97Å; W28-L73 HydrophobicContact CG-CD2 4.17Å; W28-L73 HydrophobicContact CG-CG 4.34Å; W28-L73 HydrophobicContact CZ2-CB 3.99Å; W28-Y87 CarbonylContact C-O 3.57Å; W28-Y87 WeakPolarHBondContact CA-O 2.97Å; W28-Y87 VanDerWaalsContact CE3-O 3.22Å; W28-C88 HydrophobicContact CH2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.39Å
29	V	97.6	Very high	95.4	Very high	4 Å²	4	58 Å²	58	2%	0.024	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	143.7	177.1	-177.7	0	0	0	0	107.4	L37 E38 Y86 Y87 F96 W99	V29-L37 HydrophobicContact CG1-CB 3.91Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.43Å; V29-E38 CarbonylContact C-O 3.51Å; V29-E38 WeakPolarHBondContact CA-O 3.31Å; V29-E38 WeakPolarHBondContact CG1-O 3.23Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.31Å; V29-Y87 PolarHBondContact N-O 3.13Å; V29-Y87 PolarHBondContact O-N 3.39Å; V29-F96 HydrophobicContact CG2-CZ 4.46Å; V29-W99 HydrophobicContact CB-CH2 4.07Å; V29-W99 HydrophobicContact CB-CZ3 3.85Å; V29-W99 HydrophobicContact CG1-CH2 4Å; V29-W99 HydrophobicContact CG1-CZ3 4.02Å; V29-W99 HydrophobicContact CG2-CH2 3.8Å; V29-W99 HydrophobicContact CG2-CZ3 3.96Å
30	R	96.9	Very high	95.7	Very high	27 Å²	27	56.1 Å²	56.1	10%	0.102	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	156.7	173	67.6	178.3	-168.6	175.9	5.3	112.3	E38 I40 D82 A84 L85 Y86	R30-E38 HydrophobicContact CG-CB 4.02Å; R30-E38 IonicContact CZ-OE2 2.9Å; R30-E38 PolarHBondContact N-O 3.06Å; R30-E38 IonicContact NE-OE2 3.35Å; R30-E38 PolarHBondContact NE-OE2 3.39Å; R30-E38 IonicContact NH2-OE2 2.93Å; R30-E38 PolarHBondContact NH2-OE2 3.49Å; R30-E38 PolarHBondContact O-N 2.85Å; R30-I40 HydrophobicContact CB-CD1 3.96Å; R30-I40 HydrophobicContact CB-CG1 4.44Å; R30-I40 HydrophobicContact CG-CD1 4.05Å; R30-I40 HydrophobicContact CG-CG1 4.08Å; R30-D82 IonicContact NH1-OD1 3.37Å; R30-D82 PolarHBondContact NH1-OD1 2.95Å; R30-A84 HydrophobicContact CB-CB 4.05Å; R30-L85 CarbonylContact C-O 3.47Å; R30-L85 WeakPolarHBondContact CA-O 3.18Å; R30-Y86 HydrophobicContact CB-CD1 3.92Å; R30-Y86 HydrophobicContact CB-CE1 3.87Å; R30-Y86 HydrophobicContact CB-CG 4.33Å
31	Q	97.6	Very high	95.9	Very high	70 Å²	70	52.8 Å²	52.8	33%	0.327	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	106	172.3	-169	177.3	22.5	0	0	109.6	K35 L37 A84 L85 Y87	Q31-K35 WeakPolarHBondContact CG-O 3.15Å; Q31-K35 PolarHBondContact NE2-O 3Å; Q31-L37 HydrophobicContact CB-CD2 4.11Å; Q31-A84 VanDerWaalsContact O-CA 3.3Å; Q31-A84 WeakPolarHBondContact O-CA 3.43Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 3.5Å; Q31-L85 PolarHBondContact N-O 3.21Å; Q31-L85 PolarHBondContact O-N 3.12Å; Q31-Y87 HydrophobicContact CB-CE2 4.08Å
32	A	96.2	Very high	96	Very high	17 Å²	17	54.3 Å²	54.3	14%	0.14	29%	0.292	C	S	.	.			trans	-74	153.6	172.3	0	0	0	0	0	110.6	G34 K35 A84	A32-G34 PolarHBondContact O-N 2.87Å; A32-K35 HydrophobicContact CB-CB 4.12Å; A32-K35 HydrophobicContact CB-CG 3.95Å; A32-K35 WeakPolarHBondContact O-CB 3.23Å; A32-K35 PolarHBondContact O-N 3.09Å; A32-A84 HydrophobicContact CB-CB 4.43Å
33	P	94.9	Very high	96.2	Very high	105 Å²	105	52.3 Å²	52.3	68%	0.682	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	127.1	176.7	-26.5	34.7	0	0	0	112.2	K35 T83	P33-K35 PolarHBondContact O-N 3.09Å; P33-T83 VanDerWaalsContact CD-O 3.31Å; P33-T83 WeakPolarHBondContact CD-O 2.97Å
34	G	95.4	Very high	96.4	Very high	89 Å²	89	44.1 Å²	44.1	92%	0.918	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	11.1	-178.7	0	0	0	0	0	115.2	A32	A32-G34 PolarHBondContact O-N 2.87Å
35	K	94.9	Very high	96.5	Very high	127 Å²	127	43.4 Å²	43.4	55%	0.552	25%	0.249	S	C	*	.			trans	-114.5	160.9	176.4	-59.6	-65.4	-174.5	176.1	0	111.7	Q31 A32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.15Å; Q31-K35 PolarHBondContact NE2-O 3Å; A32-K35 HydrophobicContact CB-CB 4.12Å; A32-K35 HydrophobicContact CB-CG 3.95Å; A32-K35 WeakPolarHBondContact O-CB 3.23Å; A32-K35 PolarHBondContact O-N 3.09Å; P33-K35 PolarHBondContact O-N 3.09Å
36	G	95.4	Very high	96.5	Very high	51 Å²	51	44.6 Å²	44.6	53%	0.526	26%	0.261	S	S	.	.			trans	-72.9	-178.6	169.1	0	0	0	0	0	112.2	E38	G36-E38 PolarHBondContact O-N 3.46Å
37	L	95.6	Very high	96.5	Very high	103 Å²	103	47 Å²	47	54%	0.539	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	128.4	172.5	-68.2	169.1	0	0	0	110.2	V29 Q31 Y87 W99	V29-L37 HydrophobicContact CG1-CB 3.91Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.43Å; Q31-L37 HydrophobicContact CB-CD2 4.11Å; L37-Y87 HydrophobicContact CD2-CD2 4.34Å; L37-Y87 HydrophobicContact CD2-CE2 4.24Å; L37-W99 HydrophobicContact CD1-CH2 4.11Å
38	E	95.9	Very high	96.5	Very high	66 Å²	66	51 Å²	51	31%	0.308	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	115.9	175.9	-65.7	-180	-177.7	0	0	109.1	V29 R30 G36	V29-E38 CarbonylContact C-O 3.51Å; V29-E38 WeakPolarHBondContact CA-O 3.31Å; V29-E38 WeakPolarHBondContact CG1-O 3.23Å; R30-E38 HydrophobicContact CG-CB 4.02Å; R30-E38 IonicContact CZ-OE2 2.9Å; R30-E38 PolarHBondContact N-O 3.06Å; R30-E38 IonicContact NE-OE2 3.35Å; R30-E38 PolarHBondContact NE-OE2 3.39Å; R30-E38 IonicContact NH2-OE2 2.93Å; R30-E38 PolarHBondContact NH2-OE2 3.49Å; R30-E38 PolarHBondContact O-N 2.85Å; G36-E38 PolarHBondContact O-N 3.46Å
39	W	96.3	Very high	96.5	Very high	77 Å²	77	53.5 Å²	53.5	29%	0.292	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	132.2	173.2	-179.1	81.2	0	0	0	110.3	S27 G41 E42 N51 T53 F96	S27-W39 PolarHBondContact OG-NE1 2.93Å; W39-G41 VanDerWaalsContact CZ2-C 3.41Å; W39-G41 VanDerWaalsContact CZ2-CA 3.41Å; W39-G41 PolarHBondContact NE1-O 2.72Å; W39-E42 HydrophobicContact CH2-CG 4.41Å; W39-E42 HydrophobicContact CZ2-CB 3.79Å; W39-E42 HydrophobicContact CZ2-CG 3.65Å; W39-N51 HydrophobicContact CH2-CB 3.83Å; W39-N51 HydrophobicContact CZ2-CB 4.44Å; W39-T53 VanDerWaalsContact CE3-OG1 3.3Å; W39-T53 PolarHBondContact O-OG1 2.75Å; W39-F96 AromaticContact CD1-CZ 3.95Å
40	I	97	Very high	96.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-48.1	179.6	-65.3	174.5	0	0	0	110.3	W28 R30 Y52 T53 L56 F60 L73 Y86	W28-I40 HydrophobicContact CB-CB 4.11Å; W28-I40 HydrophobicContact CB-CD1 4.18Å; W28-I40 WeakPolarHBondContact O-CB 2.87Å; W28-I40 PolarHBondContact O-N 2.56Å; R30-I40 HydrophobicContact CB-CD1 3.96Å; R30-I40 HydrophobicContact CB-CG1 4.44Å; R30-I40 HydrophobicContact CG-CD1 4.05Å; R30-I40 HydrophobicContact CG-CG1 4.08Å; I40-Y52 WeakPolarHBondContact O-CA 3.39Å; I40-T53 PolarHBondContact O-N 3.29Å; I40-L56 HydrophobicContact CB-CD1 4.46Å; I40-L56 HydrophobicContact CG1-CD1 4.12Å; I40-L56 HydrophobicContact CG2-CD1 4.49Å; I40-F60 HydrophobicContact CD1-CE2 4.43Å; I40-F60 HydrophobicContact CG2-CB 4.12Å; I40-F60 HydrophobicContact CG2-CD2 3.56Å; I40-F60 HydrophobicContact CG2-CE2 4.31Å; I40-F60 HydrophobicContact CG2-CG 4.1Å; I40-L73 HydrophobicContact CD1-CD2 4Å; I40-L73 HydrophobicContact CG2-CD1 4.36Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.68Å
41	G	97.1	Very high	96.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.4	173.4	-172	0	0	0	0	0	111.8	S27 W28 W39 N51	S27-G41 CarbonylContact C-O 3.58Å; S27-G41 VanDerWaalsContact CA-O 3.27Å; S27-G41 WeakPolarHBondContact CA-O 3.4Å; W28-G41 PolarHBondContact N-O 2.7Å; W39-G41 VanDerWaalsContact CZ2-C 3.41Å; W39-G41 VanDerWaalsContact CZ2-CA 3.41Å; W39-G41 PolarHBondContact NE1-O 2.72Å; G41-N51 CarbonylContact C-O 3.57Å; G41-N51 WeakPolarHBondContact CA-O 3.38Å
42	E	97.1	Very high	96.5	Very high	33 Å²	33	56.8 Å²	56.8	15%	0.154	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	157.2	179.7	71.1	-172	161.1	0	0	111.4	W25 M26 S27 W39 I50 N51 N91	W25-E42 HydrophobicContact CE3-CB 4.21Å; W25-E42 HydrophobicContact CE3-CG 3.48Å; W25-E42 VanDerWaalsContact CE3-CG 3.48Å; W25-E42 VanDerWaalsContact CZ3-CD 3.48Å; W25-E42 HydrophobicContact CZ3-CG 3.6Å; W25-E42 WeakPolarHBondContact CZ3-OE1 3.01Å; M26-E42 CarbonylContact O-C 3.59Å; M26-E42 WeakPolarHBondContact O-CA 3.32Å; S27-E42 VanDerWaalsContact OG-CB 3.31Å; S27-E42 WeakPolarHBondContact OG-CB 3.1Å; W39-E42 HydrophobicContact CH2-CG 4.41Å; W39-E42 HydrophobicContact CZ2-CB 3.79Å; W39-E42 HydrophobicContact CZ2-CG 3.65Å; E42-I50 VanDerWaalsContact O-CA 3.31Å; E42-I50 WeakPolarHBondContact O-CA 3.31Å; E42-I50 VanDerWaalsContact O-CG2 3.23Å; E42-I50 WeakPolarHBondContact O-CG2 3.48Å; E42-N51 HydrophobicContact CG-CB 4.03Å; E42-N51 PolarHBondContact N-O 2.78Å; E42-N51 PolarHBondContact O-N 3.38Å; E42-N51 PolarHBondContact OE1-ND2 2.82Å; E42-N91 PolarHBondContact OE2-ND2 3.07Å
43	I	97.9	Very high	96.4	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	136	176.7	-175.1	161	0	0	0	110.1	W25 M26 I50 I62 R64 L71	W25-I43 WeakPolarHBondContact CA-O 3.37Å; M26-I43 HydrophobicContact CB-CG2 4.27Å; M26-I43 PolarHBondContact N-O 2.78Å; M26-I43 PolarHBondContact O-N 2.9Å; I43-I50 HydrophobicContact CB-CG1 4.43Å; I43-I50 HydrophobicContact CD1-CD1 3.91Å; I43-I50 HydrophobicContact CD1-CG1 3.98Å; I43-I50 HydrophobicContact CG1-CD1 4.48Å; I43-I50 HydrophobicContact CG1-CG1 3.99Å; I43-I62 HydrophobicContact CB-CG2 3.85Å; I43-I62 HydrophobicContact CD1-CG2 4.5Å; I43-I62 HydrophobicContact CG2-CG2 3.61Å; I43-R64 HydrophobicContact CD1-CG 3.96Å; I43-R64 HydrophobicContact CG1-CG 4.4Å; I43-R64 HydrophobicContact CG2-CB 4.48Å; I43-L71 HydrophobicContact CG2-CD1 3.52Å
44	N	96.4	Very high	96.3	Very high	14 Å²	14	58.3 Å²	58.3	8%	0.075	35%	0.349	C	S	.	.			trans	-77.7	166.4	179.5	78	-27.8	0	0	0	112.3	W25 D46 S47 S48 T49 R64	W25-N44 HydrophobicContact CD2-CB 3.66Å; W25-N44 HydrophobicContact CE3-CB 3.97Å; W25-N44 HydrophobicContact CG-CB 4.32Å; W25-N44 HydrophobicContact CH2-CB 3.78Å; W25-N44 HydrophobicContact CZ2-CB 3.42Å; W25-N44 VanDerWaalsContact CZ2-CB 3.42Å; W25-N44 HydrophobicContact CZ3-CB 4.02Å; N44-D46 VanDerWaalsContact C-N 3.34Å; N44-D46 VanDerWaalsContact CG-OD1 3.22Å; N44-D46 PolarHBondContact ND2-OD1 2.01Å; N44-D46 PolarHBondContact O-N 2.83Å; N44-D46 PolarHBondContact OD1-OD1 2.86Å; N44-D46 VanDerWaalsContact OD1-OD1 3.13Å; N44-S47 PolarHBondContact O-N 2.93Å; N44-S47 VanDerWaalsContact O-N 3.16Å; N44-S47 VanDerWaalsContact OD1-C 3.31Å; N44-S47 VanDerWaalsContact OD1-CA 3.25Å; N44-S47 WeakPolarHBondContact OD1-CA 3.42Å; N44-S47 PolarHBondContact OD1-N 2.99Å; N44-S48 PolarHBondContact ND2-OG 2.91Å; N44-S48 PolarHBondContact OD1-N 2.99Å; N44-T49 PolarHBondContact N-O 3.48Å; N44-T49 VanDerWaalsContact N-O 3.12Å; N44-T49 PolarHBondContact OD1-N 2.68Å; N44-T49 PolarHBondContact OD1-O 2.64Å; N44-T49 VanDerWaalsContact OD1-O 3.1Å; N44-R64 WeakPolarHBondContact O-CD 3.25Å; N44-R64 PolarHBondContact O-NH1 2.89Å; N44-R64 VanDerWaalsContact O-NH1 3.07Å
45	P	96.5	Very high	96.1	Very high	35 Å²	35	59 Å²	59	23%	0.227	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.5	-46.6	-179.7	-40.2	43.8	0	0	0	116.9	S22 R23 R64 N66	S22-P45 VanDerWaalsContact O-CB 3.31Å; S22-P45 WeakPolarHBondContact O-CB 3.32Å; R23-P45 WeakPolarHBondContact O-CG 3.23Å; P45-R64 VanDerWaalsContact CA-NH1 3.27Å; P45-N66 PolarHBondContact O-ND2 3.27Å
46	D	96	Very high	95.8	Very high	110 Å²	110	53.7 Å²	53.7	59%	0.588	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	2.7	-175.2	67.5	8.5	0	0	0	113.5	N44 S48	N44-D46 VanDerWaalsContact C-N 3.34Å; N44-D46 VanDerWaalsContact CG-OD1 3.22Å; N44-D46 PolarHBondContact ND2-OD1 2.01Å; N44-D46 PolarHBondContact O-N 2.83Å; N44-D46 PolarHBondContact OD1-OD1 2.86Å; N44-D46 VanDerWaalsContact OD1-OD1 3.13Å; D46-S48 PolarHBondContact O-N 2.92Å; D46-S48 VanDerWaalsContact OD1-CB 3.24Å; D46-S48 WeakPolarHBondContact OD1-CB 3.19Å; D46-S48 PolarHBondContact OD1-N 3.09Å; D46-S48 PolarHBondContact OD1-OG 2.78Å; D46-S48 PolarHBondContact OD2-OG 2.85Å
47	S	97	Very high	95.5	Very high	53 Å²	53	57.4 Å²	57.4	37%	0.371	32%	0.319	S	S	.	.	S	Bend	trans	62.7	11.5	-177.9	-46.7	0	0	0	0	115.5	N44 T49 R64	N44-S47 PolarHBondContact O-N 2.93Å; N44-S47 VanDerWaalsContact O-N 3.16Å; N44-S47 VanDerWaalsContact OD1-C 3.31Å; N44-S47 VanDerWaalsContact OD1-CA 3.25Å; N44-S47 WeakPolarHBondContact OD1-CA 3.42Å; N44-S47 PolarHBondContact OD1-N 2.99Å; S47-T49 VanDerWaalsContact C-N 3.29Å; S47-R64 WeakPolarHBondContact OG-CD 3.12Å; S47-R64 WeakPolarHBondContact OG-CG 3.3Å
48	S	97.3	Very high	95.2	Very high	86 Å²	86	60.2 Å²	60.2	60%	0.601	33%	0.334	S	S	*	.	S	Bend	trans	-72.9	-23.4	177	63.4	0	0	0	0	113.1	N44 D46	N44-S48 PolarHBondContact ND2-OG 2.91Å; N44-S48 PolarHBondContact OD1-N 2.99Å; D46-S48 PolarHBondContact O-N 2.92Å; D46-S48 VanDerWaalsContact OD1-CB 3.24Å; D46-S48 WeakPolarHBondContact OD1-CB 3.19Å; D46-S48 PolarHBondContact OD1-N 3.09Å; D46-S48 PolarHBondContact OD1-OG 2.78Å; D46-S48 PolarHBondContact OD2-OG 2.85Å
49	T	97.4	Very high	94.9	Very high	55 Å²	55	58.6 Å²	58.6	34%	0.337	33%	0.326	S	S	.	.			trans	-127.6	130.5	-178.2	-55.6	0	0	0	0	110.7	W25 N44 S47	W25-T49 HydrophobicContact CH2-CG2 3.94Å; W25-T49 HydrophobicContact CZ3-CG2 4.5Å; N44-T49 PolarHBondContact N-O 3.48Å; N44-T49 VanDerWaalsContact N-O 3.12Å; N44-T49 PolarHBondContact OD1-N 2.68Å; N44-T49 PolarHBondContact OD1-O 2.64Å; N44-T49 VanDerWaalsContact OD1-O 3.1Å; S47-T49 VanDerWaalsContact C-N 3.29Å
50	I	97.4	Very high	94.9	Very high	63 Å²	63	55 Å²	55	32%	0.323	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	120.5	173.4	-45.1	179	0	0	0	108.8	E42 I43 Y52 I62	E42-I50 VanDerWaalsContact O-CA 3.31Å; E42-I50 WeakPolarHBondContact O-CA 3.31Å; E42-I50 VanDerWaalsContact O-CG2 3.23Å; E42-I50 WeakPolarHBondContact O-CG2 3.48Å; I43-I50 HydrophobicContact CB-CG1 4.43Å; I43-I50 HydrophobicContact CD1-CD1 3.91Å; I43-I50 HydrophobicContact CD1-CG1 3.98Å; I43-I50 HydrophobicContact CG1-CD1 4.48Å; I43-I50 HydrophobicContact CG1-CG1 3.99Å; I50-Y52 HydrophobicContact CB-CE2 3.94Å; I50-Y52 HydrophobicContact CG2-CD2 4.05Å; I50-Y52 HydrophobicContact CG2-CE1 4.38Å; I50-Y52 HydrophobicContact CG2-CE2 3.28Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.49Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.28Å; I50-I62 HydrophobicContact CG2-CB 4.2Å
51	N	96.8	Very high	94.9	Very high	66 Å²	66	59.8 Å²	59.8	35%	0.353	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	147.8	175	-59.1	-41.2	0	0	0	109.7	W39 G41 E42	W39-N51 HydrophobicContact CH2-CB 3.83Å; W39-N51 HydrophobicContact CZ2-CB 4.44Å; G41-N51 CarbonylContact C-O 3.57Å; G41-N51 WeakPolarHBondContact CA-O 3.38Å; E42-N51 HydrophobicContact CG-CB 4.03Å; E42-N51 PolarHBondContact N-O 2.78Å; E42-N51 PolarHBondContact O-N 3.38Å; E42-N51 PolarHBondContact OE1-ND2 2.82Å
52	Y	97.1	Very high	94.9	Very high	41 Å²	41	59.9 Å²	59.9	16%	0.161	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	153.7	179.7	-69.4	-87.6	0	0	0	110.7	I40 I50 K57 F60 I62	I40-Y52 WeakPolarHBondContact O-CA 3.39Å; I50-Y52 HydrophobicContact CB-CE2 3.94Å; I50-Y52 HydrophobicContact CG2-CD2 4.05Å; I50-Y52 HydrophobicContact CG2-CE1 4.38Å; I50-Y52 HydrophobicContact CG2-CE2 3.28Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.49Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.28Å; Y52-K57 HydrophobicContact CD2-CB 4.48Å; Y52-K57 HydrophobicContact CD2-CG 3.93Å; Y52-K57 HydrophobicContact CG-CB 4.16Å; Y52-K57 HydrophobicContact CG-CG 4.12Å; Y52-F60 VanDerWaalsContact CE1-O 3.28Å; Y52-F60 WeakPolarHBondContact CE1-O 3.14Å; Y52-I62 HydrophobicContact CD1-CD1 4.34Å; Y52-I62 HydrophobicContact CE1-CD1 3.83Å; Y52-I62 HydrophobicContact CE1-CG1 3.83Å; Y52-I62 PolarHBondContact OH-N 3.09Å
53	T	95.4	Very high	95	Very high	37 Å²	37	60.3 Å²	60.3	23%	0.227	34%	0.344	C	S	.	.			trans	-61.6	125.7	157.4	-69.5	0	0	0	0	108.4	W39 I40 S55 L56 K57	W39-T53 VanDerWaalsContact CE3-OG1 3.3Å; W39-T53 PolarHBondContact O-OG1 2.75Å; I40-T53 PolarHBondContact O-N 3.29Å; T53-S55 VanDerWaalsContact C-N 3.25Å; T53-S55 WeakPolarHBondContact CG2-OG 3.38Å; T53-S55 PolarHBondContact O-N 3.13Å; T53-S55 VanDerWaalsContact O-N 3.09Å; T53-L56 HydrophobicContact CG2-CD1 4.37Å; T53-L56 HydrophobicContact CG2-CG 4.27Å; T53-L56 PolarHBondContact O-N 2.86Å; T53-K57 PolarHBondContact O-N 2.92Å
54	P	92.9	Very high	95	Very high	117 Å²	117	61.4 Å²	61.4	76%	0.76	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-38.4	-170.7	-31.5	36	0	0	0	114.9	L56	P54-L56 PolarHBondContact O-N 3.26Å
55	S	89.8	Confident	95	Very high	104 Å²	104	62.6 Å²	62.6	73%	0.727	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-11	179.8	53.4	0	0	0	0	114.5	T53	T53-S55 VanDerWaalsContact C-N 3.25Å; T53-S55 WeakPolarHBondContact CG2-OG 3.38Å; T53-S55 PolarHBondContact O-N 3.13Å; T53-S55 VanDerWaalsContact O-N 3.09Å
56	L	89.8	Confident	95.1	Very high	14 Å²	14	63.8 Å²	63.8	7%	0.073	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-10.8	-173.7	-59.9	-176	0	0	0	113.7	I40 T53 P54 D58 K59 F60	I40-L56 HydrophobicContact CB-CD1 4.46Å; I40-L56 HydrophobicContact CG1-CD1 4.12Å; I40-L56 HydrophobicContact CG2-CD1 4.49Å; T53-L56 HydrophobicContact CG2-CD1 4.37Å; T53-L56 HydrophobicContact CG2-CG 4.27Å; T53-L56 PolarHBondContact O-N 2.86Å; P54-L56 PolarHBondContact O-N 3.26Å; L56-D58 VanDerWaalsContact C-N 3.32Å; L56-D58 PolarHBondContact O-N 3.14Å; L56-K59 PolarHBondContact O-N 3.36Å; L56-K59 VanDerWaalsContact O-N 3.14Å; L56-F60 HydrophobicContact CB-CD2 3.88Å; L56-F60 HydrophobicContact CB-CE2 4.14Å; L56-F60 HydrophobicContact CD1-CE2 4.2Å; L56-F60 HydrophobicContact CD2-CE2 4.01Å; L56-F60 HydrophobicContact CG-CE2 4.34Å; L56-F60 PolarHBondContact O-N 3Å
57	K	88.5	Confident	95.1	Very high	130 Å²	130	63.1 Å²	63.1	57%	0.565	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-39.3	-174.7	-176.9	178.6	177.8	-178.8	0	114	Y52 T53 K59	Y52-K57 HydrophobicContact CD2-CB 4.48Å; Y52-K57 HydrophobicContact CD2-CG 3.93Å; Y52-K57 HydrophobicContact CG-CB 4.16Å; Y52-K57 HydrophobicContact CG-CG 4.12Å; T53-K57 PolarHBondContact O-N 2.92Å; K57-K59 PolarHBondContact O-N 3.28Å
58	D	89	Confident	95.1	Very high	162 Å²	162	66.9 Å²	66.9	87%	0.866	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-5.6	-175.3	-61.8	-31.2	0	0	0	113.4	L56	L56-D58 VanDerWaalsContact C-N 3.32Å; L56-D58 PolarHBondContact O-N 3.14Å
59	K	91.1	Very high	95.1	Very high	32 Å²	32	65.9 Å²	65.9	14%	0.139	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-33.3	-172.8	-167.2	172.8	-166.8	172.1	0	113.4	L56 K57 S76 D82	L56-K59 PolarHBondContact O-N 3.36Å; L56-K59 VanDerWaalsContact O-N 3.14Å; K57-K59 PolarHBondContact O-N 3.28Å; K59-S76 PolarHBondContact O-N 2.91Å; K59-D82 VanDerWaalsContact CE-CG 3.49Å; K59-D82 VanDerWaalsContact CE-OD1 3.31Å; K59-D82 WeakPolarHBondContact CE-OD1 3.47Å; K59-D82 WeakPolarHBondContact CE-OD2 3.32Å; K59-D82 IonicContact NZ-OD1 2.68Å; K59-D82 PolarHBondContact NZ-OD1 2.84Å; K59-D82 IonicContact NZ-OD2 3.48Å; K59-D82 PolarHBondContact NZ-OD2 2.85Å
60	F	95	Very high	95.1	Very high	1 Å²	1	64 Å²	64	0%	0.004	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138.3	-175.4	-59.9	-51.7	0	0	0	111.2	I40 Y52 L56 L73 Q74 M75 Y86	I40-F60 HydrophobicContact CD1-CE2 4.43Å; I40-F60 HydrophobicContact CG2-CB 4.12Å; I40-F60 HydrophobicContact CG2-CD2 3.56Å; I40-F60 HydrophobicContact CG2-CE2 4.31Å; I40-F60 HydrophobicContact CG2-CG 4.1Å; Y52-F60 VanDerWaalsContact CE1-O 3.28Å; Y52-F60 WeakPolarHBondContact CE1-O 3.14Å; L56-F60 HydrophobicContact CB-CD2 3.88Å; L56-F60 HydrophobicContact CB-CE2 4.14Å; L56-F60 HydrophobicContact CD1-CE2 4.2Å; L56-F60 HydrophobicContact CD2-CE2 4.01Å; L56-F60 HydrophobicContact CG-CE2 4.34Å; L56-F60 PolarHBondContact O-N 3Å; F60-L73 HydrophobicContact CB-CD1 3.84Å; F60-L73 HydrophobicContact CD1-CD2 4.38Å; F60-L73 HydrophobicContact CD1-CG 4.38Å; F60-L73 HydrophobicContact CG-CD1 4.29Å; F60-Q74 CarbonylContact C-O 3.55Å; F60-Q74 WeakPolarHBondContact CA-O 3.33Å; F60-M75 HydrophobicContact CD1-CB 3.97Å; F60-M75 HydrophobicContact CD1-CG 3.65Å; F60-M75 HydrophobicContact CE1-CB 3.9Å; F60-M75 HydrophobicContact CE1-CE 3.57Å; F60-M75 HydrophobicContact CE1-CG 3.64Å; F60-M75 HydrophobicContact CE1-SD 4.37Å; F60-M75 HydrophobicContact CZ-CE 4.2Å; F60-Y86 HydrophobicContact CZ-CE1 4.49Å
61	I	96.8	Very high	95.2	Very high	100 Å²	100	61 Å²	61	51%	0.513	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	115	172.2	-53	171.5	0	0	0	107.9	Q74	I61-Q74 HydrophobicContact CB-CB 4.1Å; I61-Q74 PolarHBondContact N-O 2.99Å; I61-Q74 PolarHBondContact O-N 2.88Å
62	I	98	Very high	95.3	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	136.2	174.2	-58.7	172.7	0	0	0	108.5	I43 I50 Y52 L71 Y72 L73	I43-I62 HydrophobicContact CB-CG2 3.85Å; I43-I62 HydrophobicContact CD1-CG2 4.5Å; I43-I62 HydrophobicContact CG2-CG2 3.61Å; I50-I62 HydrophobicContact CG2-CB 4.2Å; Y52-I62 HydrophobicContact CD1-CD1 4.34Å; Y52-I62 HydrophobicContact CE1-CD1 3.83Å; Y52-I62 HydrophobicContact CE1-CG1 3.83Å; Y52-I62 PolarHBondContact OH-N 3.09Å; I62-L71 HydrophobicContact CG2-CD1 3.93Å; I62-Y72 WeakPolarHBondContact CA-O 3.32Å; I62-L73 HydrophobicContact CG1-CD1 3.68Å
63	S	98.2	Very high	95.3	Very high	42 Å²	42	57.8 Å²	57.8	29%	0.294	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	162.2	172.1	52.4	0	0	0	0	110.2	Y72	S63-Y72 PolarHBondContact N-O 3.37Å; S63-Y72 VanDerWaalsContact N-O 3.09Å; S63-Y72 PolarHBondContact O-N 2.66Å
64	R	98.2	Very high	95.4	Very high	25 Å²	25	58.8 Å²	58.8	9%	0.094	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	154.2	-178.6	63	-175.4	-66.5	159.1	3.2	111.5	F21 Y24 I43 N44 P45 S47 N66 T70 L71	F21-R64 HydrophobicContact CE1-CB 4.22Å; F21-R64 VanDerWaalsContact CE1-NH2 3.32Å; F21-R64 HydrophobicContact CZ-CB 4.1Å; F21-R64 PolarHBondContact O-NH2 3.04Å; Y24-R64 PolarHBondContact O-NH1 3.3Å; I43-R64 HydrophobicContact CD1-CG 3.96Å; I43-R64 HydrophobicContact CG1-CG 4.4Å; I43-R64 HydrophobicContact CG2-CB 4.48Å; N44-R64 WeakPolarHBondContact O-CD 3.25Å; N44-R64 PolarHBondContact O-NH1 2.89Å; N44-R64 VanDerWaalsContact O-NH1 3.07Å; P45-R64 VanDerWaalsContact CA-NH1 3.27Å; S47-R64 WeakPolarHBondContact OG-CD 3.12Å; S47-R64 WeakPolarHBondContact OG-CG 3.3Å; R64-N66 PolarHBondContact NE-OD1 2.82Å; R64-N66 PolarHBondContact NH2-OD1 2.87Å; R64-T70 CarbonylContact C-O 3.48Å; R64-T70 WeakPolarHBondContact CA-O 3.42Å; R64-L71 HydrophobicContact CB-CD1 4.16Å
65	D	97.9	Very high	95.5	Very high	39 Å²	39	53.2 Å²	53.2	21%	0.209	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	104.9	172.4	-177.1	-23.6	0	0	0	108.1	A67 K68 N69 T70 Y72	D65-A67 VanDerWaalsContact C-N 3.35Å; D65-A67 PolarHBondContact OD1-N 2.76Å; D65-A67 VanDerWaalsContact OD1-N 3.07Å; D65-K68 HydrophobicContact CB-CB 4.25Å; D65-K68 CarbonylContact O-C 3.58Å; D65-K68 PolarHBondContact O-N 2.79Å; D65-K68 PolarHBondContact OD1-N 3.01Å; D65-K68 VanDerWaalsContact OD1-N 3.13Å; D65-K68 WeakPolarHBondContact OD2-CD 3.38Å; D65-K68 VanDerWaalsContact OD2-CE 3.26Å; D65-K68 WeakPolarHBondContact OD2-CE 3.41Å; D65-K68 WeakPolarHBondContact OD2-CG 3.45Å; D65-K68 IonicContact OD2-NZ 2.78Å; D65-K68 PolarHBondContact OD2-NZ 2.89Å; D65-N69 PolarHBondContact O-N 3.09Å; D65-T70 PolarHBondContact N-O 2.73Å; D65-T70 PolarHBondContact O-N 2.89Å; D65-Y72 HydrophobicContact CB-CE2 3.83Å
66	N	97.3	Very high	95.6	Very high	60 Å²	60	50.3 Å²	50.3	32%	0.321	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-29.8	-176.9	-71.7	-14.7	0	0	0	112.3	F21 P45 R64 K68 N69	F21-N66 WeakPolarHBondContact CE1-OD1 3.39Å; P45-N66 PolarHBondContact O-ND2 3.27Å; R64-N66 PolarHBondContact NE-OD1 2.82Å; R64-N66 PolarHBondContact NH2-OD1 2.87Å; N66-K68 PolarHBondContact O-N 2.78Å; N66-N69 PolarHBondContact O-N 2.9Å; N66-N69 PolarHBondContact O-OD1 2.8Å
67	A	96.4	Very high	95.7	Very high	97 Å²	97	57.4 Å²	57.4	80%	0.802	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-28.4	176.6	0	0	0	0	0	111.7	D65	D65-A67 VanDerWaalsContact C-N 3.35Å; D65-A67 PolarHBondContact OD1-N 2.76Å; D65-A67 VanDerWaalsContact OD1-N 3.07Å
68	K	97.4	Very high	96	Very high	131 Å²	131	51.2 Å²	51.2	57%	0.57	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	1.9	177.3	-61.4	-175.7	-167	126.7	0	114.1	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.25Å; D65-K68 CarbonylContact O-C 3.58Å; D65-K68 PolarHBondContact O-N 2.79Å; D65-K68 PolarHBondContact OD1-N 3.01Å; D65-K68 VanDerWaalsContact OD1-N 3.13Å; D65-K68 WeakPolarHBondContact OD2-CD 3.38Å; D65-K68 VanDerWaalsContact OD2-CE 3.26Å; D65-K68 WeakPolarHBondContact OD2-CE 3.41Å; D65-K68 WeakPolarHBondContact OD2-CG 3.45Å; D65-K68 IonicContact OD2-NZ 2.78Å; D65-K68 PolarHBondContact OD2-NZ 2.89Å; N66-K68 PolarHBondContact O-N 2.78Å; K68-T70 PolarHBondContact O-N 3.27Å; K68-T70 VanDerWaalsContact O-N 3.13Å; K68-T70 PolarHBondContact O-OG1 2.83Å
69	N	97.1	Very high	96.2	Very high	66 Å²	66	49.6 Å²	49.6	35%	0.353	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	39.9	-171.2	-61.9	-36.9	0	0	0	113	A16 F21 D65 N66	A16-N69 PolarHBondContact N-O 2.93Å; F21-N69 HydrophobicContact CB-CB 3.97Å; F21-N69 HydrophobicContact CD1-CB 4.34Å; F21-N69 HydrophobicContact CG-CB 4.15Å; D65-N69 PolarHBondContact O-N 3.09Å; N66-N69 PolarHBondContact O-N 2.9Å; N66-N69 PolarHBondContact O-OD1 2.8Å
70	T	98.1	Very high	96.3	Very high	15 Å²	15	51.9 Å²	51.9	9%	0.092	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.6	-170.2	-57.8	0	0	0	0	112	C14 R64 D65 K68 Y72	C14-T70 CarbonylContact O-C 3.43Å; C14-T70 WeakPolarHBondContact O-CA 3.47Å; R64-T70 CarbonylContact C-O 3.48Å; R64-T70 WeakPolarHBondContact CA-O 3.42Å; D65-T70 PolarHBondContact N-O 2.73Å; D65-T70 PolarHBondContact O-N 2.89Å; K68-T70 PolarHBondContact O-N 3.27Å; K68-T70 VanDerWaalsContact O-N 3.13Å; K68-T70 PolarHBondContact O-OG1 2.83Å; T70-Y72 HydrophobicContact CG2-CD1 4.13Å; T70-Y72 HydrophobicContact CG2-CD2 4.43Å; T70-Y72 HydrophobicContact CG2-CE1 3.51Å; T70-Y72 HydrophobicContact CG2-CE2 3.83Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.39Å
71	L	98.4	Very high	96.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	143.3	170.5	-171.8	71.4	0	0	0	110	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.55Å; S13-L71 WeakPolarHBondContact CA-O 3.02Å; C14-L71 HydrophobicContact CB-CB 4.41Å; C14-L71 PolarHBondContact N-O 3.01Å; C14-L71 PolarHBondContact O-N 2.96Å; F21-L71 HydrophobicContact CE2-CB 4.2Å; F21-L71 HydrophobicContact CZ-CB 4.19Å; M26-L71 HydrophobicContact CB-CD1 3.75Å; M26-L71 HydrophobicContact CB-CD2 3.93Å; M26-L71 HydrophobicContact CB-CG 4.35Å; W28-L71 HydrophobicContact CD2-CD2 4.35Å; W28-L71 HydrophobicContact CG-CD2 4.24Å; W28-L71 HydrophobicContact CZ2-CD2 4.38Å; W28-L71 HydrophobicContact CZ2-CG 4.5Å; W28-L71 VanDerWaalsContact NE1-CD2 3.26Å; I43-L71 HydrophobicContact CG2-CD1 3.52Å; I62-L71 HydrophobicContact CG2-CD1 3.93Å; R64-L71 HydrophobicContact CB-CD1 4.16Å; L71-C88 HydrophobicContact CD2-CB 4.01Å
72	Y	98.3	Very high	96.1	Very high	39 Å²	39	53 Å²	53	15%	0.153	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	147.6	178.8	-54.9	-83	0	0	0	112	K11 L12 W28 I62 S63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.46Å; K11-Y72 VanDerWaalsContact CE-CD1 3.48Å; L12-Y72 WeakPolarHBondContact O-CA 3.32Å; W28-Y72 PolarHBondContact NE1-O 3.48Å; I62-Y72 WeakPolarHBondContact CA-O 3.32Å; S63-Y72 PolarHBondContact N-O 3.37Å; S63-Y72 VanDerWaalsContact N-O 3.09Å; S63-Y72 PolarHBondContact O-N 2.66Å; D65-Y72 HydrophobicContact CB-CE2 3.83Å; T70-Y72 HydrophobicContact CG2-CD1 4.13Å; T70-Y72 HydrophobicContact CG2-CD2 4.43Å; T70-Y72 HydrophobicContact CG2-CE1 3.51Å; T70-Y72 HydrophobicContact CG2-CE2 3.83Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.39Å
73	L	98.1	Very high	96.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	109.3	169.2	-169.6	69.2	0	0	0	108.6	K11 L12 W28 I40 F60 I62 M75 Y86	K11-L73 CarbonylContact C-O 3.54Å; K11-L73 WeakPolarHBondContact CA-O 3.21Å; L12-L73 HydrophobicContact CB-CB 4.21Å; L12-L73 HydrophobicContact CD1-CD2 4.29Å; L12-L73 PolarHBondContact N-O 3.15Å; L12-L73 PolarHBondContact O-N 2.99Å; W28-L73 HydrophobicContact CB-CD1 4.29Å; W28-L73 HydrophobicContact CB-CD2 4.44Å; W28-L73 HydrophobicContact CD2-CB 3.9Å; W28-L73 HydrophobicContact CD2-CD2 4.12Å; W28-L73 HydrophobicContact CD2-CG 4.44Å; W28-L73 HydrophobicContact CE3-CD2 4.32Å; W28-L73 HydrophobicContact CG-CB 4.14Å; W28-L73 HydrophobicContact CG-CD1 3.97Å; W28-L73 HydrophobicContact CG-CD2 4.17Å; W28-L73 HydrophobicContact CG-CG 4.34Å; W28-L73 HydrophobicContact CZ2-CB 3.99Å; I40-L73 HydrophobicContact CD1-CD2 4Å; I40-L73 HydrophobicContact CG2-CD1 4.36Å; F60-L73 HydrophobicContact CB-CD1 3.84Å; F60-L73 HydrophobicContact CD1-CD2 4.38Å; F60-L73 HydrophobicContact CD1-CG 4.38Å; F60-L73 HydrophobicContact CG-CD1 4.29Å; I62-L73 HydrophobicContact CG1-CD1 3.68Å; L73-M75 HydrophobicContact CD2-CG 4.17Å; L73-M75 HydrophobicContact CD2-SD 4.42Å; L73-M75 HydrophobicContact CG-CG 4.15Å; L73-Y86 HydrophobicContact CD2-CD1 3.76Å; L73-Y86 HydrophobicContact CD2-CE1 4.03Å
74	Q	97	Very high	96	Very high	58 Å²	58	52.4 Å²	52.4	27%	0.271	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	128.7	168.8	-173.2	71.2	29.9	0	0	108.6	K11 F60 I61	K11-Q74 VanDerWaalsContact CB-OE1 3.31Å; F60-Q74 CarbonylContact C-O 3.55Å; F60-Q74 WeakPolarHBondContact CA-O 3.33Å; I61-Q74 HydrophobicContact CB-CB 4.1Å; I61-Q74 PolarHBondContact N-O 2.99Å; I61-Q74 PolarHBondContact O-N 2.88Å
75	M	94.9	Very high	96	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.7	179.4	-49.2	170.5	68.3	0	0	107.8	S9 L10 L12 F60 L73 V78 D82 Y86	S9-M75 CarbonylContact C-O 3.6Å; S9-M75 WeakPolarHBondContact CA-O 3.44Å; S9-M75 WeakPolarHBondContact CB-O 3.31Å; L10-M75 HydrophobicContact CD2-SD 4.34Å; L10-M75 PolarHBondContact N-O 3.27Å; L10-M75 PolarHBondContact O-N 2.95Å; L12-M75 HydrophobicContact CD1-SD 4.02Å; L12-M75 HydrophobicContact CG-SD 4.11Å; F60-M75 HydrophobicContact CD1-CB 3.97Å; F60-M75 HydrophobicContact CD1-CG 3.65Å; F60-M75 HydrophobicContact CE1-CB 3.9Å; F60-M75 HydrophobicContact CE1-CE 3.57Å; F60-M75 HydrophobicContact CE1-CG 3.64Å; F60-M75 HydrophobicContact CE1-SD 4.37Å; F60-M75 HydrophobicContact CZ-CE 4.2Å; L73-M75 HydrophobicContact CD2-CG 4.17Å; L73-M75 HydrophobicContact CD2-SD 4.42Å; L73-M75 HydrophobicContact CG-CG 4.15Å; M75-V78 HydrophobicContact CB-CG1 3.87Å; M75-V78 HydrophobicContact CE-CG1 4.38Å; M75-D82 HydrophobicContact CE-CB 4.31Å; M75-Y86 HydrophobicContact CE-CE1 3.75Å; M75-Y86 HydrophobicContact CE-CE2 4.05Å; M75-Y86 VanDerWaalsContact CE-CZ 3.41Å; M75-Y86 VanDerWaalsContact CE-OH 3.23Å; M75-Y86 WeakPolarHBondContact CE-OH 3.23Å; M75-Y86 HydrophobicContact SD-CE1 4.39Å
76	S	92.2	Very high	96	Very high	43 Å²	43	52.3 Å²	52.3	30%	0.301	27%	0.272	S	S	.	.			trans	-121.4	147	180	-60.8	0	0	0	0	111.2	K59 V78	K59-S76 PolarHBondContact O-N 2.91Å; S76-V78 VanDerWaalsContact C-N 3.3Å; S76-V78 PolarHBondContact O-N 3.49Å
77	K	92.6	Very high	96	Very high	163 Å²	163	51.3 Å²	51.3	71%	0.709	26%	0.264	S	S	*	.	S	Bend	trans	52.1	50.1	179.2	-57.5	178.1	-178.5	177.2	0	111.5	G8	G8-K77 WeakPolarHBondContact O-CA 3.31Å; G8-K77 PolarHBondContact O-N 3.34Å
78	V	93.8	Very high	96.1	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	23%	0.229	C	C	.	.			trans	-60.9	145.9	-177.4	-61.5	0	0	0	0	111.3	V4 P6 G7 G8 M75 S76 D82 V107	V4-V78 HydrophobicContact CB-CG2 4.42Å; V4-V78 HydrophobicContact CG1-CB 4.47Å; V4-V78 HydrophobicContact CG1-CG2 3.61Å; V4-V78 HydrophobicContact CG2-CG2 3.92Å; P6-V78 CarbonylContact C-O 3.59Å; P6-V78 WeakPolarHBondContact CA-O 3.46Å; G7-V78 PolarHBondContact N-O 2.93Å; G8-V78 WeakPolarHBondContact O-CG2 3.46Å; G8-V78 PolarHBondContact O-N 3.39Å; M75-V78 HydrophobicContact CB-CG1 3.87Å; M75-V78 HydrophobicContact CE-CG1 4.38Å; S76-V78 VanDerWaalsContact C-N 3.3Å; S76-V78 PolarHBondContact O-N 3.49Å; V78-D82 VanDerWaalsContact CA-OD2 3.31Å; V78-D82 WeakPolarHBondContact CA-OD2 3.5Å; V78-V107 HydrophobicContact CB-CG1 4.42Å; V78-V107 HydrophobicContact CB-CG2 4.15Å; V78-V107 HydrophobicContact CG2-CG1 3.99Å; V78-V107 HydrophobicContact CG2-CG2 4.24Å
79	R	94.1	Very high	96	Very high	128 Å²	128	40.9 Å²	40.9	48%	0.483	20%	0.202	S	C	.	.			trans	-126.2	164.4	-178.8	-55.5	-173	-56.9	-153.5	1.8	109.1	E81 D82 V107	R79-E81 IonicContact CZ-OE2 2.7Å; R79-E81 IonicContact NE-OE2 2.56Å; R79-E81 PolarHBondContact NE-OE2 2.93Å; R79-E81 IonicContact NH2-OE2 3.48Å; R79-E81 PolarHBondContact NH2-OE2 3.13Å; R79-E81 PolarHBondContact O-N 2.9Å; R79-E81 VanDerWaalsContact O-N 3.12Å; R79-D82 PolarHBondContact N-OD2 3.07Å; R79-D82 WeakPolarHBondContact O-CB 3.45Å; R79-D82 PolarHBondContact O-N 2.81Å; R79-V107 VanDerWaalsContact C-CG1 3.48Å; R79-V107 VanDerWaalsContact O-CB 3.31Å; R79-V107 WeakPolarHBondContact O-CB 3.21Å; R79-V107 WeakPolarHBondContact O-CG1 3.41Å; R79-V107 WeakPolarHBondContact O-CG2 3.25Å
80	S	93.6	Very high	95.9	Very high	80 Å²	80	37.8 Å²	37.8	56%	0.559	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-50.3	-38	175.6	50.2	0	0	0	0	112.8	D82 T83	S80-D82 PolarHBondContact O-N 2.97Å; S80-T83 VanDerWaalsContact O-CB 3.23Å; S80-T83 WeakPolarHBondContact O-CB 3.31Å; S80-T83 PolarHBondContact O-N 2.72Å; S80-T83 PolarHBondContact O-OG1 3.17Å
81	E	92.7	Very high	95.3	Very high	121 Å²	121	38.4 Å²	38.4	57%	0.565	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-59.8	-19.3	175.6	-62.8	163.5	-149.7	0	0	114.9	R79 T83	R79-E81 IonicContact CZ-OE2 2.7Å; R79-E81 IonicContact NE-OE2 2.56Å; R79-E81 PolarHBondContact NE-OE2 2.93Å; R79-E81 IonicContact NH2-OE2 3.48Å; R79-E81 PolarHBondContact NH2-OE2 3.13Å; R79-E81 PolarHBondContact O-N 2.9Å; R79-E81 VanDerWaalsContact O-N 3.12Å; E81-T83 VanDerWaalsContact C-N 3.25Å
82	D	94.6	Very high	94.4	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-85	-1.2	176.5	-55.8	-49.3	0	0	0	112.8	R30 K59 M75 V78 R79 S80 A84 Y86 V107	R30-D82 IonicContact NH1-OD1 3.37Å; R30-D82 PolarHBondContact NH1-OD1 2.95Å; K59-D82 VanDerWaalsContact CE-CG 3.49Å; K59-D82 VanDerWaalsContact CE-OD1 3.31Å; K59-D82 WeakPolarHBondContact CE-OD1 3.47Å; K59-D82 WeakPolarHBondContact CE-OD2 3.32Å; K59-D82 IonicContact NZ-OD1 2.68Å; K59-D82 PolarHBondContact NZ-OD1 2.84Å; K59-D82 IonicContact NZ-OD2 3.48Å; K59-D82 PolarHBondContact NZ-OD2 2.85Å; M75-D82 HydrophobicContact CE-CB 4.31Å; V78-D82 VanDerWaalsContact CA-OD2 3.31Å; V78-D82 WeakPolarHBondContact CA-OD2 3.5Å; R79-D82 PolarHBondContact N-OD2 3.07Å; R79-D82 WeakPolarHBondContact O-CB 3.45Å; R79-D82 PolarHBondContact O-N 2.81Å; S80-D82 PolarHBondContact O-N 2.97Å; D82-A84 PolarHBondContact O-N 3.35Å; D82-A84 VanDerWaalsContact O-N 3.09Å; D82-Y86 VanDerWaalsContact O-CE2 3.32Å; D82-Y86 WeakPolarHBondContact O-CE2 3.47Å; D82-Y86 PolarHBondContact O-OH 2.98Å; D82-V107 HydrophobicContact CB-CG2 4.25Å
83	T	96.9	Very high	92.9	Very high	31 Å²	31	49.4 Å²	49.4	19%	0.19	24%	0.242	C	C	.	.			trans	-62.8	111.5	172.7	-62.7	0	0	0	0	109.3	P33 S80 E81 V105 V107	P33-T83 VanDerWaalsContact CD-O 3.31Å; P33-T83 WeakPolarHBondContact CD-O 2.97Å; S80-T83 VanDerWaalsContact O-CB 3.23Å; S80-T83 WeakPolarHBondContact O-CB 3.31Å; S80-T83 PolarHBondContact O-N 2.72Å; S80-T83 PolarHBondContact O-OG1 3.17Å; E81-T83 VanDerWaalsContact C-N 3.25Å; T83-V105 VanDerWaalsContact CA-O 3.31Å; T83-V105 WeakPolarHBondContact CA-O 3.45Å; T83-V107 PolarHBondContact OG1-N 2.6Å
84	A	97.3	Very high	91.6	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.008	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	163.9	-175.1	0	0	0	0	0	110.9	R30 Q31 A32 D82 Y86 V105	R30-A84 HydrophobicContact CB-CB 4.05Å; Q31-A84 VanDerWaalsContact O-CA 3.3Å; Q31-A84 WeakPolarHBondContact O-CA 3.43Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 3.5Å; A32-A84 HydrophobicContact CB-CB 4.43Å; D82-A84 PolarHBondContact O-N 3.35Å; D82-A84 VanDerWaalsContact O-N 3.09Å; A84-Y86 HydrophobicContact CB-CD2 4.24Å; A84-Y86 HydrophobicContact CB-CE2 3.69Å; A84-Y86 VanDerWaalsContact O-CD2 3.31Å; A84-Y86 WeakPolarHBondContact O-CD2 3.27Å; A84-V105 PolarHBondContact N-O 3.13Å; A84-V105 VanDerWaalsContact N-O 3.15Å; A84-V105 PolarHBondContact O-N 3.02Å
85	L	97.9	Very high	90.4	Very high	61 Å²	61	55.5 Å²	55.5	32%	0.319	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.4	159.1	-77.8	162.5	0	0	0	108.8	R30 Q31 Y87 L104	R30-L85 CarbonylContact C-O 3.47Å; R30-L85 WeakPolarHBondContact CA-O 3.18Å; Q31-L85 PolarHBondContact N-O 3.21Å; Q31-L85 PolarHBondContact O-N 3.12Å; L85-Y87 HydrophobicContact CB-CD2 4.49Å; L85-Y87 HydrophobicContact CB-CE2 3.56Å; L85-Y87 WeakPolarHBondContact CB-OH 3.5Å; L85-Y87 VanDerWaalsContact CD1-OH 3.31Å; L85-Y87 WeakPolarHBondContact CD1-OH 3.28Å; L85-L104 HydrophobicContact CD2-CB 3.91Å; L85-L104 HydrophobicContact CD2-CD1 4.42Å; L85-L104 HydrophobicContact CG-CD1 4.33Å
86	Y	97.9	Very high	89.4	Confident	1 Å²	1	59.3 Å²	59.3	0%	0.004	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.7	178.1	-71.2	-101.2	0	0	0	110	L12 V29 R30 I40 F60 L73 M75 D82 A84 G102 T103 V105	L12-Y86 HydrophobicContact CD1-CD1 4.01Å; L12-Y86 HydrophobicContact CD1-CD2 4.23Å; L12-Y86 HydrophobicContact CD1-CG 3.68Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.31Å; R30-Y86 HydrophobicContact CB-CD1 3.92Å; R30-Y86 HydrophobicContact CB-CE1 3.87Å; R30-Y86 HydrophobicContact CB-CG 4.33Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.68Å; F60-Y86 HydrophobicContact CZ-CE1 4.49Å; L73-Y86 HydrophobicContact CD2-CD1 3.76Å; L73-Y86 HydrophobicContact CD2-CE1 4.03Å; M75-Y86 HydrophobicContact CE-CE1 3.75Å; M75-Y86 HydrophobicContact CE-CE2 4.05Å; M75-Y86 VanDerWaalsContact CE-CZ 3.41Å; M75-Y86 VanDerWaalsContact CE-OH 3.23Å; M75-Y86 WeakPolarHBondContact CE-OH 3.23Å; M75-Y86 HydrophobicContact SD-CE1 4.39Å; D82-Y86 VanDerWaalsContact O-CE2 3.32Å; D82-Y86 WeakPolarHBondContact O-CE2 3.47Å; D82-Y86 PolarHBondContact O-OH 2.98Å; A84-Y86 HydrophobicContact CB-CD2 4.24Å; A84-Y86 HydrophobicContact CB-CE2 3.69Å; A84-Y86 VanDerWaalsContact O-CD2 3.31Å; A84-Y86 WeakPolarHBondContact O-CD2 3.27Å; Y86-G102 CarbonylContact O-C 3.59Å; Y86-G102 VanDerWaalsContact O-CA 3.23Å; Y86-G102 WeakPolarHBondContact O-CA 3.41Å; Y86-T103 PolarHBondContact N-O 3.21Å; Y86-T103 PolarHBondContact O-N 2.93Å; Y86-V105 HydrophobicContact CD2-CB 3.91Å; Y86-V105 HydrophobicContact CD2-CG2 3.66Å; Y86-V105 HydrophobicContact CE2-CB 3.75Å; Y86-V105 HydrophobicContact CE2-CG2 3.93Å
87	Y	97.8	Very high	88.9	Confident	38 Å²	38	59.8 Å²	59.8	15%	0.149	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.9	-178.1	-54.3	-90.8	0	0	0	109.7	W28 V29 Q31 L37 L85 W99	W28-Y87 CarbonylContact C-O 3.57Å; W28-Y87 WeakPolarHBondContact CA-O 2.97Å; W28-Y87 VanDerWaalsContact CE3-O 3.22Å; V29-Y87 PolarHBondContact N-O 3.13Å; V29-Y87 PolarHBondContact O-N 3.39Å; Q31-Y87 HydrophobicContact CB-CE2 4.08Å; L37-Y87 HydrophobicContact CD2-CD2 4.34Å; L37-Y87 HydrophobicContact CD2-CE2 4.24Å; L85-Y87 HydrophobicContact CB-CD2 4.49Å; L85-Y87 HydrophobicContact CB-CE2 3.56Å; L85-Y87 WeakPolarHBondContact CB-OH 3.5Å; L85-Y87 VanDerWaalsContact CD1-OH 3.31Å; L85-Y87 WeakPolarHBondContact CD1-OH 3.28Å; Y87-W99 HydrophobicContact CG-CE3 4.24Å; Y87-W99 HydrophobicContact CG-CZ3 4.29Å
88	C	96.8	Very high	88.7	Confident	9 Å²	9	57.2 Å²	57.2	6%	0.061	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	147.1	160.3	52.9	0	0	0	0	109.1	C14 S27 W28 L71 G100	C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.47Å; C14-C88 WeakPolarHBondContact SG-CB 3.31Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.34Å; S27-C88 CarbonylContact O-C 3.43Å; S27-C88 VanDerWaalsContact O-CA 3.28Å; S27-C88 WeakPolarHBondContact O-CA 3.46Å; W28-C88 HydrophobicContact CH2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.39Å; L71-C88 HydrophobicContact CD2-CB 4.01Å; C88-G100 PolarHBondContact O-N 3.05Å
89	A	96.1	Very high	88.7	Confident	1 Å²	1	62 Å²	62	1%	0.008	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	149.3	174.3	0	0	0	0	0	111.3	M26 S27 F96 Y98 W99	M26-A89 CarbonylContact C-O 3.49Å; M26-A89 WeakPolarHBondContact CA-O 3.36Å; M26-A89 WeakPolarHBondContact CE-O 3.39Å; S27-A89 PolarHBondContact N-O 3.21Å; S27-A89 PolarHBondContact O-N 2.78Å; A89-F96 HydrophobicContact CB-CB 4.22Å; A89-F96 HydrophobicContact CB-CD1 3.56Å; A89-F96 HydrophobicContact CB-CE1 4.16Å; A89-F96 HydrophobicContact CB-CG 4.01Å; A89-Y98 CarbonylContact C-O 3.59Å; A89-Y98 WeakPolarHBondContact CA-O 3.26Å; A89-W99 HydrophobicContact CB-CD2 3.89Å; A89-W99 HydrophobicContact CB-CE3 4.09Å; A89-W99 HydrophobicContact CB-CG 4.31Å; A89-W99 HydrophobicContact CB-CZ2 4.38Å; A89-W99 HydrophobicContact CB-CZ3 4.42Å
90	S	94.3	Very high	88.7	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.007	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	140.9	171.7	69.1	0	0	0	0	110.6	F96 A97 Y98	S90-F96 VanDerWaalsContact O-CA 3.25Å; S90-F96 WeakPolarHBondContact O-CA 3.45Å; S90-A97 PolarHBondContact O-N 3.19Å; S90-A97 VanDerWaalsContact O-N 3.13Å; S90-Y98 PolarHBondContact N-O 2.8Å; S90-Y98 WeakPolarHBondContact OG-CB 3.37Å; S90-Y98 WeakPolarHBondContact OG-CD2 3.2Å; S90-Y98 PolarHBondContact OG-N 2.81Å; S90-Y98 VanDerWaalsContact OG-N 3.09Å
91	N	87	Confident	88.8	Confident	27 Å²	27	62.1 Å²	62.1	14%	0.144	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136.1	177.8	-51.3	15.9	0	0	0	110.3	Y24 W25 S27 E42 F96	Y24-N91 WeakPolarHBondContact CD1-O 3.04Å; W25-N91 HydrophobicContact CB-CB 3.93Å; W25-N91 PolarHBondContact O-N 3.35Å; S27-N91 VanDerWaalsContact OG-CG 3.29Å; S27-N91 PolarHBondContact OG-ND2 3.03Å; S27-N91 PolarHBondContact OG-OD1 3Å; E42-N91 PolarHBondContact OE2-ND2 3.07Å; N91-F96 VanDerWaalsContact OD1-CD1 3.3Å; N91-F96 WeakPolarHBondContact OD1-CD1 3.11Å; N91-F96 WeakPolarHBondContact OD1-CE1 3.34Å
92	W	78.3	Confident	88.9	Confident	102 Å²	102	57.8 Å²	57.8	39%	0.386	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	169.5	173.6	-77.1	70.3	0	0	0	109.5	Y24 V94 G95 A97 Y98	Y24-W92 AromaticContact CD1-CD1 3.95Å; Y24-W92 HydrophobicContact CD1-CD2 4.06Å; Y24-W92 AromaticContact CD1-CE2 3.78Å; Y24-W92 HydrophobicContact CD1-CG 4.25Å; Y24-W92 HydrophobicContact CD1-CZ2 4.28Å; Y24-W92 AromaticContact CD1-NE1 3.66Å; Y24-W92 AromaticContact CE1-CD2 3.47Å; Y24-W92 HydrophobicContact CE1-CD2 3.47Å; Y24-W92 VanDerWaalsContact CE1-CD2 3.47Å; Y24-W92 AromaticContact CE1-CE2 3.17Å; Y24-W92 AromaticContact CE1-CE3 3.79Å; Y24-W92 HydrophobicContact CE1-CE3 3.79Å; Y24-W92 HydrophobicContact CE1-CG 4.14Å; Y24-W92 AromaticContact CE1-CH2 3.7Å; Y24-W92 HydrophobicContact CE1-CH2 3.7Å; Y24-W92 AromaticContact CE1-CZ2 3.33Å; Y24-W92 HydrophobicContact CE1-CZ2 3.33Å; Y24-W92 AromaticContact CE1-CZ3 3.89Å; Y24-W92 HydrophobicContact CE1-CZ3 3.89Å; Y24-W92 AromaticContact CE1-NE1 3.57Å; Y24-W92 HydrophobicContact CE2-CZ2 4.05Å; Y24-W92 AromaticContact CZ-CE2 3.59Å; Y24-W92 AromaticContact CZ-CH2 3.52Å; Y24-W92 AromaticContact CZ-CZ2 3.2Å; Y24-W92 WeakPolarHBondContact OH-CH2 3.3Å; Y24-W92 WeakPolarHBondContact OH-CZ2 2.86Å; W92-V94 PolarHBondContact O-N 2.61Å; W92-G95 PolarHBondContact N-O 3.03Å; W92-G95 PolarHBondContact O-N 3.21Å; W92-A97 HydrophobicContact CB-CB 4.38Å; W92-A97 HydrophobicContact CD2-CB 4.33Å; W92-A97 HydrophobicContact CG-CB 3.72Å; W92-A97 VanDerWaalsContact NE1-CB 3.35Å; W92-Y98 HydrophobicContact CZ2-CE2 4.31Å; W92-Y98 AromaticContact NE1-CE2 3.91Å
93	D	67.9	Low	89	Confident	169 Å²	169	59.2 Å²	59.2	90%	0.904	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-19.5	-174.7	-64.2	-33.7	0	0	0	115
94	V	69.1	Low	89	Confident	149 Å²	149	62 Å²	62	90%	0.903	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	9.8	-179.6	-63.7	0	0	0	0	114.3	W92	W92-V94 PolarHBondContact O-N 2.61Å
95	G	72.4	Confident	88.9	Confident	37 Å²	37	62 Å²	62	38%	0.381	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	132.7	-156.2	178	0	0	0	0	0	114.4	W92	W92-G95 PolarHBondContact N-O 3.03Å; W92-G95 PolarHBondContact O-N 3.21Å
96	F	74	Confident	88.9	Confident	80 Å²	80	61.5 Å²	61.5	35%	0.351	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	116.9	-180	-59.6	-68.7	0	0	0	111.7	S27 V29 W39 A89 S90 N91 W99	S27-F96 WeakPolarHBondContact OG-CE1 3.4Å; V29-F96 HydrophobicContact CG2-CZ 4.46Å; W39-F96 AromaticContact CD1-CZ 3.95Å; A89-F96 HydrophobicContact CB-CB 4.22Å; A89-F96 HydrophobicContact CB-CD1 3.56Å; A89-F96 HydrophobicContact CB-CE1 4.16Å; A89-F96 HydrophobicContact CB-CG 4.01Å; S90-F96 VanDerWaalsContact O-CA 3.25Å; S90-F96 WeakPolarHBondContact O-CA 3.45Å; N91-F96 VanDerWaalsContact OD1-CD1 3.3Å; N91-F96 WeakPolarHBondContact OD1-CD1 3.11Å; N91-F96 WeakPolarHBondContact OD1-CE1 3.34Å; F96-W99 HydrophobicContact CB-CZ2 3.96Å; F96-W99 VanDerWaalsContact CB-NE1 3.28Å; F96-W99 HydrophobicContact CD2-CH2 4.27Å; F96-W99 AromaticContact CD2-CZ2 3.48Å; F96-W99 HydrophobicContact CD2-CZ2 3.48Å; F96-W99 VanDerWaalsContact CD2-CZ2 3.48Å; F96-W99 HydrophobicContact CE2-CZ2 4.13Å; F96-W99 AromaticContact CG-CZ2 3.81Å; F96-W99 HydrophobicContact CG-CZ2 3.81Å
97	A	80.9	Confident	88.7	Confident	52 Å²	52	61.7 Å²	61.7	43%	0.43	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-41.2	-179.8	0	0	0	0	0	113.7	S90 W92	S90-A97 PolarHBondContact O-N 3.19Å; S90-A97 VanDerWaalsContact O-N 3.13Å; W92-A97 HydrophobicContact CB-CB 4.38Å; W92-A97 HydrophobicContact CD2-CB 4.33Å; W92-A97 HydrophobicContact CG-CB 3.72Å; W92-A97 VanDerWaalsContact NE1-CB 3.35Å
98	Y	89.2	Confident	88.3	Confident	109 Å²	109	62.3 Å²	62.3	43%	0.427	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.1	-178.2	-58.5	-74.9	0	0	0	110.2	F19 A89 S90 W92	F19-Y98 HydrophobicContact CB-CD2 4.33Å; F19-Y98 HydrophobicContact CB-CE2 3.87Å; F19-Y98 AromaticContact CD1-CD2 3.65Å; F19-Y98 HydrophobicContact CD1-CD2 3.65Å; F19-Y98 HydrophobicContact CD1-CE2 4.02Å; F19-Y98 AromaticContact CD1-CG 3.99Å; F19-Y98 HydrophobicContact CD1-CG 3.99Å; F19-Y98 HydrophobicContact CD2-CD2 4.49Å; F19-Y98 HydrophobicContact CE1-CD2 4.02Å; F19-Y98 HydrophobicContact CE1-CG 4.13Å; F19-Y98 AromaticContact CG-CD2 3.92Å; F19-Y98 HydrophobicContact CG-CD2 3.92Å; F19-Y98 AromaticContact CG-CE2 3.98Å; F19-Y98 HydrophobicContact CG-CE2 3.98Å; A89-Y98 CarbonylContact C-O 3.59Å; A89-Y98 WeakPolarHBondContact CA-O 3.26Å; S90-Y98 PolarHBondContact N-O 2.8Å; S90-Y98 WeakPolarHBondContact OG-CB 3.37Å; S90-Y98 WeakPolarHBondContact OG-CD2 3.2Å; S90-Y98 PolarHBondContact OG-N 2.81Å; S90-Y98 VanDerWaalsContact OG-N 3.09Å; W92-Y98 HydrophobicContact CZ2-CE2 4.31Å; W92-Y98 AromaticContact NE1-CE2 3.91Å
99	W	94.2	Very high	87.4	Confident	103 Å²	103	67.9 Å²	67.9	39%	0.39	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.9	175.9	-74.1	78.6	0	0	0	110.4	V29 L37 Y87 A89 F96	V29-W99 HydrophobicContact CB-CH2 4.07Å; V29-W99 HydrophobicContact CB-CZ3 3.85Å; V29-W99 HydrophobicContact CG1-CH2 4Å; V29-W99 HydrophobicContact CG1-CZ3 4.02Å; V29-W99 HydrophobicContact CG2-CH2 3.8Å; V29-W99 HydrophobicContact CG2-CZ3 3.96Å; L37-W99 HydrophobicContact CD1-CH2 4.11Å; Y87-W99 HydrophobicContact CG-CE3 4.24Å; Y87-W99 HydrophobicContact CG-CZ3 4.29Å; A89-W99 HydrophobicContact CB-CD2 3.89Å; A89-W99 HydrophobicContact CB-CE3 4.09Å; A89-W99 HydrophobicContact CB-CG 4.31Å; A89-W99 HydrophobicContact CB-CZ2 4.38Å; A89-W99 HydrophobicContact CB-CZ3 4.42Å; F96-W99 HydrophobicContact CB-CZ2 3.96Å; F96-W99 VanDerWaalsContact CB-NE1 3.28Å; F96-W99 HydrophobicContact CD2-CH2 4.27Å; F96-W99 AromaticContact CD2-CZ2 3.48Å; F96-W99 HydrophobicContact CD2-CZ2 3.48Å; F96-W99 VanDerWaalsContact CD2-CZ2 3.48Å; F96-W99 HydrophobicContact CE2-CZ2 4.13Å; F96-W99 AromaticContact CG-CZ2 3.81Å; F96-W99 HydrophobicContact CG-CZ2 3.81Å
100	G	94.5	Very high	86.9	Confident	25 Å²	25	71.3 Å²	71.3	26%	0.258	41%	0.409	S	S	.	.			trans	-70.1	161	166.5	0	0	0	0	0	111.5	C88 G102	C88-G100 PolarHBondContact O-N 3.05Å; G100-G102 PolarHBondContact O-N 3.27Å; G100-G102 VanDerWaalsContact O-N 3.09Å
101	Q	94	Very high	86.6	Confident	185 Å²	185	74.9 Å²	74.9	86%	0.864	43%	0.43	S	S	*	.			trans	-66	-11.8	179.7	-65.3	-63.1	-42.9	0	0	114.1
102	G	95.2	Very high	86.5	Confident	30 Å²	30	77.6 Å²	77.6	31%	0.309	45%	0.446	S	S	.	.			trans	85.8	151.9	-175.6	0	0	0	0	0	112.7	Y86 G100	Y86-G102 CarbonylContact O-C 3.59Å; Y86-G102 VanDerWaalsContact O-CA 3.23Å; Y86-G102 WeakPolarHBondContact O-CA 3.41Å; G100-G102 PolarHBondContact O-N 3.27Å; G100-G102 VanDerWaalsContact O-N 3.09Å
103	T	96.8	Very high	87	Confident	32 Å²	32	76.2 Å²	76.2	20%	0.196	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126	173.3	-176.2	0	0	0	0	109.3	G1 L12 Y86 V105	G1-T103 WeakPolarHBondContact CA-OG1 3.09Å; G1-T103 PolarHBondContact N-OG1 3.07Å; L12-T103 HydrophobicContact CD1-CG2 3.9Å; L12-T103 HydrophobicContact CD2-CG2 4.04Å; L12-T103 HydrophobicContact CG-CG2 4.48Å; Y86-T103 PolarHBondContact N-O 3.21Å; Y86-T103 PolarHBondContact O-N 2.93Å; T103-V105 PolarHBondContact O-N 3.01Å
104	L	96.9	Very high	88.2	Confident	91 Å²	91	70.4 Å²	70.4	48%	0.476	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	125.2	175.7	-178.5	62.8	0	0	0	109.3	G1 G2 L85	G1-L104 CarbonylContact C-O 3.5Å; G1-L104 WeakPolarHBondContact CA-O 3.27Å; G2-L104 PolarHBondContact N-O 3.16Å; L85-L104 HydrophobicContact CD2-CB 3.91Å; L85-L104 HydrophobicContact CD2-CD1 4.42Å; L85-L104 HydrophobicContact CG-CD1 4.33Å
105	V	96.8	Very high	89.5	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.1	166.3	177.7	0	0	0	0	107.2	V4 L10 L12 T83 A84 Y86 T103 V107	V4-V105 HydrophobicContact CG1-CG1 4.4Å; L10-V105 HydrophobicContact CD2-CG1 3.87Å; L10-V105 HydrophobicContact CD2-CG2 3.83Å; L12-V105 HydrophobicContact CD1-CG2 4.05Å; L12-V105 HydrophobicContact CD2-CG2 3.84Å; L12-V105 HydrophobicContact CG-CG2 4.49Å; T83-V105 VanDerWaalsContact CA-O 3.31Å; T83-V105 WeakPolarHBondContact CA-O 3.45Å; A84-V105 PolarHBondContact N-O 3.13Å; A84-V105 VanDerWaalsContact N-O 3.15Å; A84-V105 PolarHBondContact O-N 3.02Å; Y86-V105 HydrophobicContact CD2-CB 3.91Å; Y86-V105 HydrophobicContact CD2-CG2 3.66Å; Y86-V105 HydrophobicContact CE2-CB 3.75Å; Y86-V105 HydrophobicContact CE2-CG2 3.93Å; T103-V105 PolarHBondContact O-N 3.01Å; V105-V107 HydrophobicContact CG1-CG2 4.28Å
106	T	96.4	Very high	90.7	Very high	51 Å²	51	67.1 Å²	67.1	31%	0.313	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.9	176.4	-56.5	0	0	0	0	108.5	G2 L3 V4	G2-T106 PolarHBondContact O-N 3.3Å; G2-T106 VanDerWaalsContact O-N 3.09Å; L3-T106 WeakPolarHBondContact CA-O 3.4Å; L3-T106 HydrophobicContact CD1-CG2 3.96Å; V4-T106 PolarHBondContact N-O 2.8Å
107	V	94	Very high	92	Very high	5 Å²	5	66.2 Å²	66.2	3%	0.03	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	103.7	175.5	-169.5	0	0	0	0	108.8	V4 P6 V78 R79 D82 T83 V105	V4-V107 HydrophobicContact CG1-CB 4.39Å; V4-V107 HydrophobicContact CG1-CG1 4.38Å; V4-V107 HydrophobicContact CG1-CG2 3.75Å; V4-V107 VanDerWaalsContact O-CA 3.32Å; V4-V107 WeakPolarHBondContact O-CA 3.31Å; P6-V107 HydrophobicContact CB-CG1 4.48Å; P6-V107 HydrophobicContact CG-CG1 4.13Å; V78-V107 HydrophobicContact CB-CG1 4.42Å; V78-V107 HydrophobicContact CB-CG2 4.15Å; V78-V107 HydrophobicContact CG2-CG1 3.99Å; V78-V107 HydrophobicContact CG2-CG2 4.24Å; R79-V107 VanDerWaalsContact C-CG1 3.48Å; R79-V107 VanDerWaalsContact O-CB 3.31Å; R79-V107 WeakPolarHBondContact O-CB 3.21Å; R79-V107 WeakPolarHBondContact O-CG1 3.41Å; R79-V107 WeakPolarHBondContact O-CG2 3.25Å; D82-V107 HydrophobicContact CB-CG2 4.25Å; T83-V107 PolarHBondContact OG1-N 2.6Å; V105-V107 HydrophobicContact CG1-CG2 4.28Å
108	S	89.9	Confident	92.9	Very high	50 Å²	50	67.3 Å²	67.3	35%	0.35	39%	0.389	S	S	.	.			trans	-140.7	153.7	178.6	68.9	0	0	0	0	110.8	L3 V4 Q5	L3-S108 WeakPolarHBondContact CD1-OG 3.24Å; V4-S108 PolarHBondContact O-N 2.73Å; Q5-S108 PolarHBondContact NE2-O 2.95Å; Q5-S108 PolarHBondContact OE1-O 3.1Å
109	A	77.1	Confident	93.2	Very high	127 Å²	127	63.5 Å²	63.5	100%	1.05	39%	0.385	S	S	*	.			trans	-67.3	0	169	0	0	0	0	0	111	Q5	Q5-A109 PolarHBondContact NE2-OXT 3.03Å; Q5-A109 VanDerWaalsContact OE1-CA 3.31Å; Q5-A109 PolarHBondContact OE1-OXT 3.37Å

Retrieved 109 of 109 residues in 25.6 ms (Link to these results)

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