X5J4L5_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4L5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 100 aa.

						>X5J4L5_MOUSE|X5J4L5
LSCAASGFTFSSYAMSWVRQTPEKRLEWVATISDGGSYTYYPDNVKGRFTISRDNAKNNLYLQMSHLKSEDTAMYYCASGNYYYYAMDYWGQGTSVTVSS
					

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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	L	97.6	Very high	93.6	Very high	59 Å²	59	55.8 Å²	55.8	31%	0.309	40%	0.399	S	S	.	.				0	148.3	0	-52.8	-178	0	0	0	109.4	W17 Y61 L62 M64 Y75 T94 V96	L1-W17 HydrophobicContact CB-CH2 3.6Å; L1-W17 HydrophobicContact CB-CZ2 3.83Å; L1-W17 HydrophobicContact CB-CZ3 4.09Å; L1-W17 HydrophobicContact CD1-CE3 4.13Å; L1-W17 HydrophobicContact CD1-CH2 4.24Å; L1-W17 HydrophobicContact CD1-CZ3 3.84Å; L1-Y61 CarbonylContact O-C 3.54Å; L1-Y61 WeakPolarHBondContact O-CA 3.39Å; L1-L62 HydrophobicContact CB-CB 4.26Å; L1-L62 HydrophobicContact CD1-CD2 4.31Å; L1-L62 PolarHBondContact N-O 3.3Å; L1-L62 PolarHBondContact O-N 3.01Å; L1-M64 HydrophobicContact CD1-CE 4.16Å; L1-M64 HydrophobicContact CD1-SD 4.27Å; L1-M64 HydrophobicContact CD2-CE 3.93Å; L1-M64 HydrophobicContact CG-CE 3.76Å; L1-M64 HydrophobicContact CG-SD 4.36Å; L1-Y75 VanDerWaalsContact CD1-CB 3.46Å; L1-Y75 HydrophobicContact CD1-CD1 3.92Å; L1-Y75 HydrophobicContact CD1-CD2 4.42Å; L1-Y75 HydrophobicContact CD1-CG 3.69Å; L1-T94 HydrophobicContact CD1-CG2 3.95Å; L1-T94 HydrophobicContact CD2-CG2 3.82Å; L1-T94 HydrophobicContact CG-CG2 4.38Å; L1-V96 HydrophobicContact CD1-CG2 4.26Å; L1-V96 HydrophobicContact CD2-CG2 3.96Å
2	S	97.9	Very high	93.4	Very high	86 Å²	86	57.3 Å²	57.3	60%	0.601	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129	150.9	171.6	53.9	0	0	0	0	109.8	L60	S2-L60 CarbonylContact C-O 3.53Å; S2-L60 VanDerWaalsContact CA-O 3.29Å; S2-L60 WeakPolarHBondContact CA-O 3.21Å
3	C	97.4	Very high	93.1	Very high	18 Å²	18	57.7 Å²	57.7	12%	0.122	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	119	175.1	168	0	0	0	0	108.8	W17 N59 L60 C77	C3-W17 HydrophobicContact CB-CH2 3.9Å; C3-W17 HydrophobicContact CB-CZ2 3.85Å; C3-N59 WeakPolarHBondContact O-CA 3.31Å; C3-L60 HydrophobicContact CB-CB 4.33Å; C3-L60 PolarHBondContact N-O 3.18Å; C3-L60 PolarHBondContact O-N 2.84Å; C3-C77 HydrophobicContact CB-CB 3.4Å; C3-C77 WeakPolarHBondContact CB-SG 3.23Å; C3-C77 WeakPolarHBondContact SG-CB 3.49Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 3.33Å
4	A	96.9	Very high	93.1	Very high	77 Å²	77	54.7 Å²	54.7	64%	0.636	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	121.1	173.9	0	0	0	0	0	109.1	N59	A4-N59 VanDerWaalsContact CA-OD1 3.23Å; A4-N59 WeakPolarHBondContact CA-OD1 3.34Å; A4-N59 VanDerWaalsContact CB-OD1 3.28Å; A4-N59 WeakPolarHBondContact CB-OD1 3.48Å
5	A	93.9	Very high	93.2	Very high	15 Å²	15	51.3 Å²	51.3	12%	0.124	35%	0.354	C	S	.	.			trans	-90.3	141.9	178.3	0	0	0	0	0	111	F8 F10 N58	A5-F8 HydrophobicContact CB-CE1 3.97Å; A5-F8 HydrophobicContact CB-CZ 3.72Å; A5-F10 HydrophobicContact CB-CB 4.33Å; A5-F10 HydrophobicContact CB-CD2 3.39Å; A5-F10 HydrophobicContact CB-CE2 4.01Å; A5-F10 HydrophobicContact CB-CG 4.2Å; A5-N58 HydrophobicContact CB-CB 4.47Å; A5-N58 PolarHBondContact N-O 3.31Å
6	S	92.6	Very high	93.4	Very high	104 Å²	104	48.4 Å²	48.4	73%	0.727	33%	0.334	S	S	*	.			trans	-147.6	160	173.9	62	0	0	0	0	109.7	F8	S6-F8 WeakPolarHBondContact O-CD1 3.37Å
7	G	89.8	Confident	93.6	Very high	79 Å²	79	45.8 Å²	45.8	81%	0.814	32%	0.315	S	S	*	.	S	Bend	trans	86.3	-3.9	179	0	0	0	0	0	115.7
8	F	88.3	Confident	93.8	Very high	37 Å²	37	43.5 Å²	43.5	16%	0.162	30%	0.299	C	S	.	.	S	Bend	trans	-151.4	165	174.8	64.9	-82.6	0	0	0	111.7	A5 S6 F10 Y13 M15 Y89	A5-F8 HydrophobicContact CB-CE1 3.97Å; A5-F8 HydrophobicContact CB-CZ 3.72Å; S6-F8 WeakPolarHBondContact O-CD1 3.37Å; F8-F10 HydrophobicContact CE2-CB 4.45Å; F8-F10 HydrophobicContact CE2-CD2 4.43Å; F8-F10 PolarHBondContact O-N 3.31Å; F8-Y13 AromaticContact CD2-CD2 3.75Å; F8-Y13 HydrophobicContact CD2-CD2 3.75Å; F8-Y13 HydrophobicContact CD2-CE2 4.18Å; F8-Y13 HydrophobicContact CD2-CG 4.3Å; F8-Y13 HydrophobicContact CE2-CD2 4.3Å; F8-Y13 HydrophobicContact CE2-CG 4.48Å; F8-M15 HydrophobicContact CE2-SD 4.11Å; F8-M15 HydrophobicContact CZ-CE 4.45Å; F8-M15 HydrophobicContact CZ-SD 4.06Å; F8-Y89 HydrophobicContact CB-CE2 4.32Å; F8-Y89 HydrophobicContact CD1-CD1 4.32Å; F8-Y89 HydrophobicContact CD1-CD2 4.15Å; F8-Y89 HydrophobicContact CD1-CE1 4.48Å; F8-Y89 HydrophobicContact CD1-CE2 4.33Å; F8-Y89 HydrophobicContact CD1-CG 4.15Å; F8-Y89 HydrophobicContact CE1-CD2 4.34Å; F8-Y89 HydrophobicContact CE1-CG 4.18Å; F8-Y89 HydrophobicContact CG-CD2 4.38Å; F8-Y89 HydrophobicContact CG-CE2 4.26Å
9	T	91	Very high	94	Very high	86 Å²	86	41.9 Å²	41.9	53%	0.528	29%	0.286	S	S	.	.			trans	-75	87.1	177.1	-51.3	0	0	0	0	110.5	S11 S12 Y13	T9-S11 PolarHBondContact O-N 3.43Å; T9-S11 VanDerWaalsContact O-N 3.07Å; T9-S12 VanDerWaalsContact CG2-OG 3.28Å; T9-S12 WeakPolarHBondContact CG2-OG 3.44Å; T9-S12 WeakPolarHBondContact O-CB 3.29Å; T9-S12 PolarHBondContact O-N 2.72Å; T9-Y13 WeakPolarHBondContact O-CD2 3.3Å
10	F	92.2	Very high	94.1	Very high	1 Å²	1	43 Å²	43	0%	0.004	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-48.5	-38.9	-176	177.8	-100.4	0	0	0	114.5	A5 F8 S12 Y13 M15 R53 N55 N58 N59 L60	A5-F10 HydrophobicContact CB-CB 4.33Å; A5-F10 HydrophobicContact CB-CD2 3.39Å; A5-F10 HydrophobicContact CB-CE2 4.01Å; A5-F10 HydrophobicContact CB-CG 4.2Å; F8-F10 HydrophobicContact CE2-CB 4.45Å; F8-F10 HydrophobicContact CE2-CD2 4.43Å; F8-F10 PolarHBondContact O-N 3.31Å; F10-S12 PolarHBondContact O-N 3.39Å; F10-Y13 PolarHBondContact O-N 3.13Å; F10-M15 HydrophobicContact CD2-CE 4.35Å; F10-M15 HydrophobicContact CD2-CG 3.99Å; F10-M15 HydrophobicContact CD2-SD 3.9Å; F10-M15 HydrophobicContact CE2-CE 3.93Å; F10-M15 HydrophobicContact CE2-CG 3.47Å; F10-M15 VanDerWaalsContact CE2-CG 3.47Å; F10-M15 HydrophobicContact CE2-SD 3.8Å; F10-M15 HydrophobicContact CZ-CG 3.99Å; F10-R53 HydrophobicContact CE1-CB 4.25Å; F10-R53 HydrophobicContact CZ-CB 4.18Å; F10-R53 PolarHBondContact O-NH2 2.94Å; F10-N55 WeakPolarHBondContact CD1-OD1 3.44Å; F10-N55 WeakPolarHBondContact CE1-OD1 3.16Å; F10-N58 HydrophobicContact CB-CB 3.92Å; F10-N58 WeakPolarHBondContact CB-OD1 3.43Å; F10-N58 HydrophobicContact CD1-CB 4.33Å; F10-N58 HydrophobicContact CG-CB 4.08Å; F10-N59 WeakPolarHBondContact CZ-O 3.29Å; F10-L60 HydrophobicContact CE2-CB 4.35Å; F10-L60 HydrophobicContact CZ-CB 4.3Å
11	S	92.6	Very high	94.2	Very high	52 Å²	52	41.6 Å²	41.6	36%	0.364	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-70.6	-8.4	179.3	55.6	0	0	0	0	114.9	T9 D34	T9-S11 PolarHBondContact O-N 3.43Å; T9-S11 VanDerWaalsContact O-N 3.07Å; S11-D34 WeakPolarHBondContact O-CB 3.32Å
12	S	90.6	Very high	93.8	Very high	74 Å²	74	43.2 Å²	43.2	52%	0.517	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-98.6	-2.4	177.2	-56.4	0	0	0	0	113.5	T9 F10	T9-S12 VanDerWaalsContact CG2-OG 3.28Å; T9-S12 WeakPolarHBondContact CG2-OG 3.44Å; T9-S12 WeakPolarHBondContact O-CB 3.29Å; T9-S12 PolarHBondContact O-N 2.72Å; F10-S12 PolarHBondContact O-N 3.39Å
13	Y	90.3	Very high	93.6	Very high	62 Å²	62	46.2 Å²	46.2	24%	0.243	30%	0.295	C	S	.	.	S	Bend	trans	-125.5	145.5	-175.1	-67.7	-97.1	0	0	0	112.3	F8 T9 F10 D34 R53 S79	F8-Y13 AromaticContact CD2-CD2 3.75Å; F8-Y13 HydrophobicContact CD2-CD2 3.75Å; F8-Y13 HydrophobicContact CD2-CE2 4.18Å; F8-Y13 HydrophobicContact CD2-CG 4.3Å; F8-Y13 HydrophobicContact CE2-CD2 4.3Å; F8-Y13 HydrophobicContact CE2-CG 4.48Å; T9-Y13 WeakPolarHBondContact O-CD2 3.3Å; F10-Y13 PolarHBondContact O-N 3.13Å; Y13-D34 WeakPolarHBondContact O-CA 3.37Å; Y13-R53 PolarHBondContact O-NH1 2.94Å; Y13-S79 VanDerWaalsContact CB-OG 3.26Å; Y13-S79 WeakPolarHBondContact CB-OG 3.28Å
14	A	92.6	Very high	93.2	Very high	16 Å²	16	53.2 Å²	53.2	13%	0.132	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	147.9	163	0	0	0	0	0	109.3	I32 S79 G80	A14-I32 WeakPolarHBondContact CA-O 3.2Å; A14-S79 PolarHBondContact O-OG 3.34Å; A14-G80 PolarHBondContact O-N 3.01Å
15	M	94.9	Very high	92.9	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.02	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.7	-175.4	-66.5	-62	-53.1	0	0	109.6	F8 F10 T31 I32 L60 S79	F8-M15 HydrophobicContact CE2-SD 4.11Å; F8-M15 HydrophobicContact CZ-CE 4.45Å; F8-M15 HydrophobicContact CZ-SD 4.06Å; F10-M15 HydrophobicContact CD2-CE 4.35Å; F10-M15 HydrophobicContact CD2-CG 3.99Å; F10-M15 HydrophobicContact CD2-SD 3.9Å; F10-M15 HydrophobicContact CE2-CE 3.93Å; F10-M15 HydrophobicContact CE2-CG 3.47Å; F10-M15 VanDerWaalsContact CE2-CG 3.47Å; F10-M15 HydrophobicContact CE2-SD 3.8Å; F10-M15 HydrophobicContact CZ-CG 3.99Å; M15-T31 CarbonylContact O-C 3.54Å; M15-T31 WeakPolarHBondContact O-CA 3.49Å; M15-I32 HydrophobicContact CB-CG2 4.07Å; M15-I32 PolarHBondContact N-O 2.81Å; M15-I32 WeakPolarHBondContact O-CG2 3.47Å; M15-I32 PolarHBondContact O-N 2.86Å; M15-L60 HydrophobicContact CB-CD1 3.65Å; M15-L60 HydrophobicContact CB-CD2 3.92Å; M15-L60 HydrophobicContact CB-CG 4.32Å; M15-L60 HydrophobicContact CE-CD2 4.25Å; M15-S79 WeakPolarHBondContact SD-CB 3.39Å; M15-S79 PolarHBondContact SD-OG 2.83Å
16	S	95.8	Very high	92.9	Very high	5 Å²	5	61.2 Å²	61.2	4%	0.035	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	154.6	-170.8	-56.7	0	0	0	0	112	W28 A30 T31 C77 A78	S16-W28 WeakPolarHBondContact OG-CZ3 3.42Å; S16-A30 CarbonylContact C-O 3.6Å; S16-A30 WeakPolarHBondContact CA-O 3.46Å; S16-A30 WeakPolarHBondContact CB-O 3.36Å; S16-T31 WeakPolarHBondContact CB-OG1 3.37Å; S16-T31 WeakPolarHBondContact OG-CB 3.31Å; S16-T31 WeakPolarHBondContact OG-CG2 3.23Å; S16-T31 PolarHBondContact OG-OG1 3.03Å; S16-C77 CarbonylContact O-C 3.6Å; S16-C77 WeakPolarHBondContact O-CA 3.28Å; S16-A78 PolarHBondContact N-O 3.26Å; S16-A78 PolarHBondContact O-N 2.82Å
17	W	97.5	Very high	93	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.015	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	131.4	165.4	-74	94.7	0	0	0	109.2	L1 C3 V29 A30 L60 L62 Y76 C77	L1-W17 HydrophobicContact CB-CH2 3.6Å; L1-W17 HydrophobicContact CB-CZ2 3.83Å; L1-W17 HydrophobicContact CB-CZ3 4.09Å; L1-W17 HydrophobicContact CD1-CE3 4.13Å; L1-W17 HydrophobicContact CD1-CH2 4.24Å; L1-W17 HydrophobicContact CD1-CZ3 3.84Å; C3-W17 HydrophobicContact CB-CH2 3.9Å; C3-W17 HydrophobicContact CB-CZ2 3.85Å; W17-V29 HydrophobicContact CB-CB 4.01Å; W17-V29 HydrophobicContact CB-CG1 4.45Å; W17-V29 WeakPolarHBondContact O-CB 3.01Å; W17-V29 PolarHBondContact O-N 3.03Å; W17-A30 PolarHBondContact N-O 2.97Å; W17-A30 PolarHBondContact O-N 3.27Å; W17-L60 HydrophobicContact CG-CD2 4.43Å; W17-L60 HydrophobicContact CZ2-CD2 4.47Å; W17-L60 VanDerWaalsContact NE1-CD2 3.3Å; W17-L62 HydrophobicContact CB-CD2 4.16Å; W17-L62 HydrophobicContact CD2-CB 4.14Å; W17-L62 HydrophobicContact CD2-CD2 4.27Å; W17-L62 HydrophobicContact CG-CB 4.06Å; W17-L62 HydrophobicContact CG-CD1 4.45Å; W17-L62 HydrophobicContact CG-CD2 3.98Å; W17-L62 HydrophobicContact CG-CG 4.4Å; W17-L62 HydrophobicContact CZ2-CB 4.45Å; W17-Y76 WeakPolarHBondContact CA-O 3.24Å; W17-Y76 VanDerWaalsContact CE3-C 3.48Å; W17-C77 HydrophobicContact CD2-CB 4.41Å; W17-C77 HydrophobicContact CE3-CB 4.28Å; W17-C77 HydrophobicContact CH2-CB 4.07Å; W17-C77 HydrophobicContact CZ2-CB 4.2Å; W17-C77 HydrophobicContact CZ3-CB 4.11Å
18	V	96.7	Very high	93.2	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.024	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.3	174.5	-177.1	0	0	0	0	107	L26 E27 W28 Y76 M87 W90	V18-L26 HydrophobicContact CG1-CB 4.27Å; V18-L26 HydrophobicContact CG1-CD2 4Å; V18-E27 CarbonylContact C-O 3.56Å; V18-E27 WeakPolarHBondContact CA-O 3.45Å; V18-E27 WeakPolarHBondContact CG1-O 3.15Å; V18-W28 HydrophobicContact CG2-CD2 4.26Å; V18-W28 HydrophobicContact CG2-CE3 4.06Å; V18-W28 HydrophobicContact CG2-CZ3 4.36Å; V18-Y76 PolarHBondContact N-O 3.22Å; V18-Y76 PolarHBondContact O-N 3.07Å; V18-M87 HydrophobicContact CG2-CE 4.05Å; V18-M87 HydrophobicContact CG2-SD 4.1Å; V18-W90 HydrophobicContact CB-CH2 3.98Å; V18-W90 HydrophobicContact CB-CZ3 3.83Å; V18-W90 HydrophobicContact CG1-CH2 3.91Å; V18-W90 HydrophobicContact CG1-CZ3 4Å; V18-W90 HydrophobicContact CG2-CH2 3.89Å; V18-W90 HydrophobicContact CG2-CZ3 4.13Å
19	R	97.1	Very high	93.6	Very high	13 Å²	13	58.1 Å²	58.1	5%	0.049	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	146.1	173.7	71.5	-178.1	-176.5	-177.7	7.6	111.1	L26 E27 V29 N44 D71 A73 M74 Y75	R19-L26 CarbonylContact O-C 3.56Å; R19-L26 WeakPolarHBondContact O-CA 3.47Å; R19-E27 HydrophobicContact CG-CB 4.03Å; R19-E27 IonicContact CZ-OE2 3.4Å; R19-E27 PolarHBondContact N-O 2.74Å; R19-E27 IonicContact NE-OE2 3.03Å; R19-E27 PolarHBondContact NE-OE2 3.47Å; R19-E27 IonicContact NH2-OE2 2.86Å; R19-E27 PolarHBondContact NH2-OE2 3.15Å; R19-E27 PolarHBondContact O-N 2.85Å; R19-V29 HydrophobicContact CB-CG2 3.77Å; R19-V29 HydrophobicContact CG-CG2 3.64Å; R19-N44 PolarHBondContact NH2-ND2 3.24Å; R19-D71 IonicContact NH1-OD1 2.96Å; R19-D71 PolarHBondContact NH1-OD1 2.83Å; R19-A73 HydrophobicContact CB-CB 3.87Å; R19-A73 HydrophobicContact CG-CB 4.17Å; R19-M74 CarbonylContact C-O 3.42Å; R19-M74 WeakPolarHBondContact CA-O 3.46Å; R19-Y75 HydrophobicContact CB-CD1 3.9Å; R19-Y75 HydrophobicContact CB-CD2 4.42Å; R19-Y75 HydrophobicContact CB-CE1 3.86Å; R19-Y75 HydrophobicContact CB-CE2 4.36Å; R19-Y75 HydrophobicContact CB-CG 4.18Å; R19-Y75 PolarHBondContact NH1-OH 2.86Å
20	Q	97.3	Very high	93.9	Very high	63 Å²	63	54 Å²	54	29%	0.294	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114.5	167.3	-172.2	173.9	43.6	0	0	108.8	R25 L26 A73 M74 Y76	Q20-R25 CarbonylContact C-O 3.59Å; Q20-R25 VanDerWaalsContact CA-O 3.29Å; Q20-R25 WeakPolarHBondContact CA-O 3.13Å; Q20-L26 HydrophobicContact CB-CD2 3.84Å; Q20-L26 HydrophobicContact CG-CD2 4.27Å; Q20-A73 WeakPolarHBondContact O-CA 3.32Å; Q20-A73 VanDerWaalsContact O-CB 3.31Å; Q20-A73 WeakPolarHBondContact O-CB 3.42Å; Q20-M74 HydrophobicContact CB-CB 4.31Å; Q20-M74 PolarHBondContact N-O 2.92Å; Q20-M74 PolarHBondContact O-N 2.76Å; Q20-Y76 HydrophobicContact CB-CE2 3.74Å; Q20-Y76 PolarHBondContact OE1-OH 2.97Å
21	T	94.5	Very high	94.1	Very high	15 Å²	15	55.1 Å²	55.1	9%	0.092	27%	0.271	C	S	.	.			trans	-68.9	164.3	176.6	76.4	0	0	0	0	110.7	E23 K24 R25 E27	T21-E23 WeakPolarHBondContact CB-OE2 3.12Å; T21-E23 PolarHBondContact O-N 3.06Å; T21-E23 VanDerWaalsContact O-N 3.13Å; T21-E23 PolarHBondContact OG1-N 3.08Å; T21-E23 PolarHBondContact OG1-OE2 2.93Å; T21-K24 WeakPolarHBondContact O-CA 3.35Å; T21-K24 PolarHBondContact O-N 3.12Å; T21-R25 PolarHBondContact N-O 2.69Å; T21-E27 HydrophobicContact CG2-CG 4.23Å
22	P	90.6	Very high	94.2	Very high	92 Å²	92	53 Å²	53	60%	0.597	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-29.5	174.8	-26.9	36.8	0	0	0	113.7	K24 T72	P22-K24 PolarHBondContact O-N 2.81Å; P22-T72 WeakPolarHBondContact CD-O 3.44Å
23	E	92.6	Very high	94.4	Very high	149 Å²	149	50.3 Å²	50.3	70%	0.696	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	8.1	174.8	-53.6	70.7	-149.2	0	0	113.1	T21 R25	T21-E23 WeakPolarHBondContact CB-OE2 3.12Å; T21-E23 PolarHBondContact O-N 3.06Å; T21-E23 VanDerWaalsContact O-N 3.13Å; T21-E23 PolarHBondContact OG1-N 3.08Å; T21-E23 PolarHBondContact OG1-OE2 2.93Å; E23-R25 PolarHBondContact O-N 2.87Å
24	K	88.7	Confident	94.4	Very high	165 Å²	165	51.1 Å²	51.1	72%	0.717	25%	0.245	S	C	*	.			trans	65.8	17.3	180	-53.8	-178.5	179.8	179.6	0	114.8	T21 P22	T21-K24 WeakPolarHBondContact O-CA 3.35Å; T21-K24 PolarHBondContact O-N 3.12Å; P22-K24 PolarHBondContact O-N 2.81Å
25	R	92	Very high	94.2	Very high	164 Å²	164	52.9 Å²	52.9	62%	0.619	27%	0.265	S	S	*	.			trans	-80.1	129.2	174.4	-175.1	-178.4	179.9	-177.6	2	110.5	Q20 T21 E23 E27	Q20-R25 CarbonylContact C-O 3.59Å; Q20-R25 VanDerWaalsContact CA-O 3.29Å; Q20-R25 WeakPolarHBondContact CA-O 3.13Å; T21-R25 PolarHBondContact N-O 2.69Å; E23-R25 PolarHBondContact O-N 2.87Å; R25-E27 HydrophobicContact CG-CG 4.07Å; R25-E27 IonicContact CZ-OE1 3.72Å; R25-E27 IonicContact NE-OE1 3.67Å; R25-E27 IonicContact NH1-OE1 3.56Å
26	L	93.6	Very high	94.1	Very high	97 Å²	97	54 Å²	54	51%	0.508	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	127.7	169.2	-70.5	171.4	0	0	0	110.3	V18 R19 Q20	V18-L26 HydrophobicContact CG1-CB 4.27Å; V18-L26 HydrophobicContact CG1-CD2 4Å; R19-L26 CarbonylContact O-C 3.56Å; R19-L26 WeakPolarHBondContact O-CA 3.47Å; Q20-L26 HydrophobicContact CB-CD2 3.84Å; Q20-L26 HydrophobicContact CG-CD2 4.27Å
27	E	94.6	Very high	93.9	Very high	34 Å²	34	59.3 Å²	59.3	16%	0.159	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133	-179.9	-60.1	-172	154.9	0	0	110.2	V18 R19 T21 R25	V18-E27 CarbonylContact C-O 3.56Å; V18-E27 WeakPolarHBondContact CA-O 3.45Å; V18-E27 WeakPolarHBondContact CG1-O 3.15Å; R19-E27 HydrophobicContact CG-CB 4.03Å; R19-E27 IonicContact CZ-OE2 3.4Å; R19-E27 PolarHBondContact N-O 2.74Å; R19-E27 IonicContact NE-OE2 3.03Å; R19-E27 PolarHBondContact NE-OE2 3.47Å; R19-E27 IonicContact NH2-OE2 2.86Å; R19-E27 PolarHBondContact NH2-OE2 3.15Å; R19-E27 PolarHBondContact O-N 2.85Å; T21-E27 HydrophobicContact CG2-CG 4.23Å; R25-E27 HydrophobicContact CG-CG 4.07Å; R25-E27 IonicContact CZ-OE1 3.72Å; R25-E27 IonicContact NE-OE1 3.67Å; R25-E27 IonicContact NH1-OE1 3.56Å
28	W	94.3	Very high	93.8	Very high	121 Å²	121	65.4 Å²	65.4	46%	0.458	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	140.2	169.9	-72	90.9	0	0	0	110.3	S16 V18 T31 P42 M87	S16-W28 WeakPolarHBondContact OG-CZ3 3.42Å; V18-W28 HydrophobicContact CG2-CD2 4.26Å; V18-W28 HydrophobicContact CG2-CE3 4.06Å; V18-W28 HydrophobicContact CG2-CZ3 4.36Å; W28-T31 WeakPolarHBondContact CZ3-OG1 3.13Å; W28-P42 HydrophobicContact CB-CG 4.43Å; W28-P42 WeakPolarHBondContact O-CG 3.43Å; W28-M87 HydrophobicContact CE3-CE 4.4Å; W28-M87 HydrophobicContact CH2-CE 3.13Å; W28-M87 HydrophobicContact CH2-CG 4.21Å; W28-M87 HydrophobicContact CH2-SD 3.46Å; W28-M87 WeakPolarHBondContact CH2-SD 3.32Å; W28-M87 HydrophobicContact CZ2-CE 4.04Å; W28-M87 HydrophobicContact CZ2-SD 3.76Å; W28-M87 HydrophobicContact CZ3-CE 3.36Å; W28-M87 HydrophobicContact CZ3-SD 4.17Å
29	V	96.9	Very high	93.8	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-50	179.7	-179.1	0	0	0	0	110.8	W17 R19 P42 V45 F49 L62 Y75	W17-V29 HydrophobicContact CB-CB 4.01Å; W17-V29 HydrophobicContact CB-CG1 4.45Å; W17-V29 WeakPolarHBondContact O-CB 3.01Å; W17-V29 PolarHBondContact O-N 3.03Å; R19-V29 HydrophobicContact CB-CG2 3.77Å; R19-V29 HydrophobicContact CG-CG2 3.64Å; V29-P42 WeakPolarHBondContact O-CD 3.45Å; V29-V45 VanDerWaalsContact O-CG2 3.23Å; V29-V45 WeakPolarHBondContact O-CG2 3.2Å; V29-F49 HydrophobicContact CG1-CD2 3.54Å; V29-F49 HydrophobicContact CG1-CE2 3.95Å; V29-L62 HydrophobicContact CG1-CD1 4.42Å; V29-L62 HydrophobicContact CG1-CD2 3.88Å; V29-Y75 HydrophobicContact CG1-CE1 4.29Å; V29-Y75 HydrophobicContact CG2-CD1 4.3Å; V29-Y75 HydrophobicContact CG2-CE1 4Å
30	A	97.2	Very high	93.7	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	153.1	175.8	0	0	0	0	0	110.4	S16 W17 Y40 Y41 I51 L62	S16-A30 CarbonylContact C-O 3.6Å; S16-A30 WeakPolarHBondContact CA-O 3.46Å; S16-A30 WeakPolarHBondContact CB-O 3.36Å; W17-A30 PolarHBondContact N-O 2.97Å; W17-A30 PolarHBondContact O-N 3.27Å; A30-Y40 CarbonylContact C-O 3.55Å; A30-Y40 VanDerWaalsContact CA-O 3.28Å; A30-Y40 WeakPolarHBondContact CA-O 3.26Å; A30-Y41 HydrophobicContact CB-CD1 3.67Å; A30-Y41 HydrophobicContact CB-CE1 3.69Å; A30-I51 HydrophobicContact CB-CB 3.73Å; A30-I51 HydrophobicContact CB-CD1 3.9Å; A30-I51 HydrophobicContact CB-CG1 4.34Å; A30-I51 HydrophobicContact CB-CG2 3.94Å; A30-L62 HydrophobicContact CB-CD1 4.11Å
31	T	95.6	Very high	93.7	Very high	24 Å²	24	71.7 Å²	71.7	15%	0.147	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	143.2	173	-66	0	0	0	0	110	M15 S16 W28 T39 Y40	M15-T31 CarbonylContact O-C 3.54Å; M15-T31 WeakPolarHBondContact O-CA 3.49Å; S16-T31 WeakPolarHBondContact CB-OG1 3.37Å; S16-T31 WeakPolarHBondContact OG-CB 3.31Å; S16-T31 WeakPolarHBondContact OG-CG2 3.23Å; S16-T31 PolarHBondContact OG-OG1 3.03Å; W28-T31 WeakPolarHBondContact CZ3-OG1 3.13Å; T31-T39 CarbonylContact O-C 3.5Å; T31-T39 WeakPolarHBondContact O-CA 3.34Å; T31-Y40 PolarHBondContact N-O 3.15Å; T31-Y40 PolarHBondContact O-N 2.91Å
32	I	95.6	Very high	93.8	Very high	7 Å²	7	72 Å²	72	4%	0.036	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.2	174	-170.7	160.5	0	0	0	109.6	A14 M15 Y38 T39 I51 R53 L60	A14-I32 WeakPolarHBondContact CA-O 3.2Å; M15-I32 HydrophobicContact CB-CG2 4.07Å; M15-I32 PolarHBondContact N-O 2.81Å; M15-I32 WeakPolarHBondContact O-CG2 3.47Å; M15-I32 PolarHBondContact O-N 2.86Å; I32-Y38 WeakPolarHBondContact CA-O 3.36Å; I32-T39 HydrophobicContact CB-CG2 4.15Å; I32-T39 HydrophobicContact CD1-CG2 3.89Å; I32-T39 HydrophobicContact CG1-CG2 3.83Å; I32-I51 HydrophobicContact CB-CD1 4.03Å; I32-I51 HydrophobicContact CB-CG1 4.29Å; I32-I51 HydrophobicContact CB-CG2 3.98Å; I32-I51 HydrophobicContact CG2-CD1 3.73Å; I32-I51 HydrophobicContact CG2-CG1 4.06Å; I32-R53 HydrophobicContact CD1-CB 4.27Å; I32-R53 HydrophobicContact CD1-CG 3.75Å; I32-R53 HydrophobicContact CG1-CG 4.36Å; I32-R53 HydrophobicContact CG2-CB 4.46Å; I32-L60 HydrophobicContact CG2-CD1 3.53Å
33	S	93.8	Very high	94	Very high	17 Å²	17	74.3 Å²	74.3	12%	0.119	38%	0.377	C	S	.	.			trans	-60.8	161.3	174	50.8	0	0	0	0	112.4	G35 G36 S37 Y38 R53	S33-G35 VanDerWaalsContact C-N 3.3Å; S33-G35 PolarHBondContact O-N 3.17Å; S33-G36 PolarHBondContact O-N 2.83Å; S33-G36 PolarHBondContact OG-N 3.48Å; S33-S37 PolarHBondContact OG-N 2.85Å; S33-Y38 PolarHBondContact N-O 2.9Å; S33-Y38 PolarHBondContact OG-N 3.42Å; S33-Y38 PolarHBondContact OG-O 2.67Å; S33-Y38 VanDerWaalsContact OG-O 3.09Å; S33-R53 WeakPolarHBondContact O-CD 3.28Å; S33-R53 PolarHBondContact O-NH1 3.33Å
34	D	91.4	Very high	94	Very high	79 Å²	79	70.8 Å²	70.8	42%	0.422	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-43.7	175.9	65.3	-51.5	0	0	0	113.3	S11 Y13 R53 N55	S11-D34 WeakPolarHBondContact O-CB 3.32Å; Y13-D34 WeakPolarHBondContact O-CA 3.37Å; D34-R53 PolarHBondContact O-NE 3.29Å; D34-R53 PolarHBondContact O-NH1 3.46Å; D34-R53 VanDerWaalsContact O-NH1 3.14Å; D34-R53 PolarHBondContact O-NH2 3.41Å; D34-N55 PolarHBondContact O-ND2 2.84Å
35	G	87.6	Confident	94.4	Very high	54 Å²	54	63 Å²	63	56%	0.557	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-9.3	175.3	0	0	0	0	0	115.1	S33 S37	S33-G35 VanDerWaalsContact C-N 3.3Å; S33-G35 PolarHBondContact O-N 3.17Å; G35-S37 VanDerWaalsContact C-N 3.26Å; G35-S37 PolarHBondContact O-N 2.96Å
36	G	92.6	Very high	94.5	Very high	28 Å²	28	61.6 Å²	61.6	29%	0.289	33%	0.327	S	S	.	.	S	Bend	trans	76.1	5	-177.1	0	0	0	0	0	115.7	S33	S33-G36 PolarHBondContact O-N 2.83Å; S33-G36 PolarHBondContact OG-N 3.48Å
37	S	92.6	Very high	94.6	Very high	116 Å²	116	60.5 Å²	60.5	81%	0.811	34%	0.339	S	S	*	.	S	Bend	trans	-72.6	-30.9	-179.3	56.1	0	0	0	0	113.2	S33 G35	S33-S37 PolarHBondContact OG-N 2.85Å; G35-S37 VanDerWaalsContact C-N 3.26Å; G35-S37 PolarHBondContact O-N 2.96Å
38	Y	94.6	Very high	94.8	Very high	131 Å²	131	60.2 Å²	60.2	51%	0.514	34%	0.337	S	S	.	.			trans	-113.2	135.1	177.3	177.6	-96.8	0	0	0	111.5	I32 S33	I32-Y38 WeakPolarHBondContact CA-O 3.36Å; S33-Y38 PolarHBondContact N-O 2.9Å; S33-Y38 PolarHBondContact OG-N 3.42Å; S33-Y38 PolarHBondContact OG-O 2.67Å; S33-Y38 VanDerWaalsContact OG-O 3.09Å
39	T	96.7	Very high	95	Very high	58 Å²	58	54.6 Å²	54.6	36%	0.356	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.1	169.3	57.2	0	0	0	0	111	T31 I32 I51	T31-T39 CarbonylContact O-C 3.5Å; T31-T39 WeakPolarHBondContact O-CA 3.34Å; I32-T39 HydrophobicContact CB-CG2 4.15Å; I32-T39 HydrophobicContact CD1-CG2 3.89Å; I32-T39 HydrophobicContact CG1-CG2 3.83Å; T39-I51 HydrophobicContact CG2-CG2 3.8Å
40	Y	95.7	Very high	95	Very high	111 Å²	111	58 Å²	58	44%	0.435	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.1	175.2	172.2	-97.9	0	0	0	110.5	A30 T31 P42	A30-Y40 CarbonylContact C-O 3.55Å; A30-Y40 VanDerWaalsContact CA-O 3.28Å; A30-Y40 WeakPolarHBondContact CA-O 3.26Å; T31-Y40 PolarHBondContact N-O 3.15Å; T31-Y40 PolarHBondContact O-N 2.91Å; Y40-P42 HydrophobicContact CE1-CG 4.31Å
41	Y	97.2	Very high	95.1	Very high	43 Å²	43	58.2 Å²	58.2	17%	0.169	34%	0.338	C	S	.	.			trans	-137.5	132.3	175.2	-55.3	-89.2	0	0	0	109.1	A30 F49 I51	A30-Y41 HydrophobicContact CB-CD1 3.67Å; A30-Y41 HydrophobicContact CB-CE1 3.69Å; Y41-F49 VanDerWaalsContact CE1-O 3.24Å; Y41-F49 WeakPolarHBondContact CE1-O 3.44Å; Y41-I51 HydrophobicContact CE1-CB 4.3Å; Y41-I51 HydrophobicContact CE1-CG2 3.99Å; Y41-I51 WeakPolarHBondContact OH-CG2 3.21Å; Y41-I51 PolarHBondContact OH-N 2.87Å
42	P	95.7	Very high	95.2	Very high	22 Å²	22	59.7 Å²	59.7	14%	0.143	35%	0.349	C	S	.	.			trans	-68.7	155.7	166.4	5.9	3.9	0	0	0	111.8	W28 V29 Y40 N44 V45 K46	W28-P42 HydrophobicContact CB-CG 4.43Å; W28-P42 WeakPolarHBondContact O-CG 3.43Å; V29-P42 WeakPolarHBondContact O-CD 3.45Å; Y40-P42 HydrophobicContact CE1-CG 4.31Å; P42-N44 WeakPolarHBondContact CB-OD1 3.36Å; P42-N44 PolarHBondContact O-N 3.17Å; P42-V45 HydrophobicContact CG-CG2 4.22Å; P42-V45 WeakPolarHBondContact O-CG2 3.32Å; P42-V45 PolarHBondContact O-N 2.94Å; P42-V45 VanDerWaalsContact O-N 3.15Å; P42-K46 PolarHBondContact O-N 3.3Å
43	D	95.3	Very high	95.3	Very high	141 Å²	141	61.1 Å²	61.1	75%	0.754	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.3	-170.1	-66.4	-35.4	0	0	0	114.1	V45	D43-V45 PolarHBondContact O-N 3.46Å
44	N	93	Very high	95.5	Very high	75 Å²	75	62.3 Å²	62.3	40%	0.401	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.9	179.2	63.9	-16.7	0	0	0	114	R19 P42 R48	R19-N44 PolarHBondContact NH2-ND2 3.24Å; P42-N44 WeakPolarHBondContact CB-OD1 3.36Å; P42-N44 PolarHBondContact O-N 3.17Å; N44-R48 PolarHBondContact O-NE 3.01Å; N44-R48 PolarHBondContact O-NH2 2.03Å
45	V	96.2	Very high	95.7	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.006	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-10.3	-178.4	-61.7	0	0	0	0	113.3	V29 P42 D43 G47 R48 F49	V29-V45 VanDerWaalsContact O-CG2 3.23Å; V29-V45 WeakPolarHBondContact O-CG2 3.2Å; P42-V45 HydrophobicContact CG-CG2 4.22Å; P42-V45 WeakPolarHBondContact O-CG2 3.32Å; P42-V45 PolarHBondContact O-N 2.94Å; P42-V45 VanDerWaalsContact O-N 3.15Å; D43-V45 PolarHBondContact O-N 3.46Å; V45-G47 PolarHBondContact O-N 3.23Å; V45-R48 WeakPolarHBondContact O-CB 3.47Å; V45-R48 PolarHBondContact O-N 3.34Å; V45-F49 HydrophobicContact CB-CB 4.39Å; V45-F49 HydrophobicContact CB-CD2 3.65Å; V45-F49 HydrophobicContact CB-CE2 4.06Å; V45-F49 HydrophobicContact CB-CG 4.05Å; V45-F49 HydrophobicContact CG1-CD2 3.7Å; V45-F49 HydrophobicContact CG1-CE2 3.58Å; V45-F49 HydrophobicContact CG1-CG 4.48Å; V45-F49 HydrophobicContact CG1-CZ 4.26Å; V45-F49 HydrophobicContact CG2-CD2 4.36Å; V45-F49 PolarHBondContact O-N 2.88Å; V45-F49 VanDerWaalsContact O-N 3.08Å
46	K	95.1	Very high	96	Very high	134 Å²	134	63.4 Å²	63.4	58%	0.583	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	132.1	178.5	-166.4	174.4	-174.7	177.8	0	111.1	P42 R48	P42-K46 PolarHBondContact O-N 3.3Å; K46-R48 PolarHBondContact O-N 3.5Å
47	G	95.9	Very high	96.2	Very high	74 Å²	74	68.5 Å²	68.5	76%	0.763	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-7.9	-177.4	0	0	0	0	0	115.1	V45	V45-G47 PolarHBondContact O-N 3.23Å
48	R	97.7	Very high	96.4	Very high	28 Å²	28	65.9 Å²	65.9	11%	0.106	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-39.8	175.4	-59.9	-168.2	-57	113.8	-0.9	111.7	N44 V45 K46 S65 H66 D71	N44-R48 PolarHBondContact O-NE 3.01Å; N44-R48 PolarHBondContact O-NH2 2.03Å; V45-R48 WeakPolarHBondContact O-CB 3.47Å; V45-R48 PolarHBondContact O-N 3.34Å; K46-R48 PolarHBondContact O-N 3.5Å; R48-S65 WeakPolarHBondContact CB-O 3.4Å; R48-S65 WeakPolarHBondContact O-CB 3.46Å; R48-S65 PolarHBondContact O-N 2.89Å; R48-S65 PolarHBondContact O-OG 3.04Å; R48-H66 HydrophobicContact CG-CB 4.41Å; R48-H66 PolarHBondContact NH1-O 2.82Å; R48-D71 IonicContact CZ-OD1 3.79Å; R48-D71 IonicContact CZ-OD2 3.41Å; R48-D71 IonicContact NH1-OD1 3.75Å; R48-D71 IonicContact NH1-OD2 2.67Å; R48-D71 PolarHBondContact NH1-OD2 3.41Å; R48-D71 IonicContact NH2-OD1 2.9Å; R48-D71 PolarHBondContact NH2-OD1 2.92Å; R48-D71 IonicContact NH2-OD2 3.29Å; R48-D71 PolarHBondContact NH2-OD2 3.27Å
49	F	98.1	Very high	96.5	Very high	3 Å²	3	61 Å²	61	1%	0.013	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	145.7	-177.1	-61.7	-2.5	0	0	0	111	V29 Y41 V45 L62 Q63 M64 L67 D71 Y75	V29-F49 HydrophobicContact CG1-CD2 3.54Å; V29-F49 HydrophobicContact CG1-CE2 3.95Å; Y41-F49 VanDerWaalsContact CE1-O 3.24Å; Y41-F49 WeakPolarHBondContact CE1-O 3.44Å; V45-F49 HydrophobicContact CB-CB 4.39Å; V45-F49 HydrophobicContact CB-CD2 3.65Å; V45-F49 HydrophobicContact CB-CE2 4.06Å; V45-F49 HydrophobicContact CB-CG 4.05Å; V45-F49 HydrophobicContact CG1-CD2 3.7Å; V45-F49 HydrophobicContact CG1-CE2 3.58Å; V45-F49 HydrophobicContact CG1-CG 4.48Å; V45-F49 HydrophobicContact CG1-CZ 4.26Å; V45-F49 HydrophobicContact CG2-CD2 4.36Å; V45-F49 PolarHBondContact O-N 2.88Å; V45-F49 VanDerWaalsContact O-N 3.08Å; F49-L62 HydrophobicContact CB-CD1 4.16Å; F49-L62 HydrophobicContact CD2-CD2 4.44Å; F49-Q63 CarbonylContact C-O 3.51Å; F49-Q63 VanDerWaalsContact CA-O 3.26Å; F49-Q63 WeakPolarHBondContact CA-O 3.47Å; F49-M64 HydrophobicContact CD1-CB 3.73Å; F49-M64 HydrophobicContact CD1-CG 3.89Å; F49-M64 HydrophobicContact CD2-CG 4.17Å; F49-M64 HydrophobicContact CE1-CB 3.66Å; F49-M64 HydrophobicContact CE1-CG 3.92Å; F49-M64 HydrophobicContact CE2-CG 4.18Å; F49-M64 HydrophobicContact CE2-SD 4.29Å; F49-M64 HydrophobicContact CG-CB 4.39Å; F49-M64 HydrophobicContact CG-CG 4.05Å; F49-M64 HydrophobicContact CZ-CB 4.22Å; F49-M64 HydrophobicContact CZ-CG 4.06Å; F49-M64 HydrophobicContact CZ-SD 4.23Å; F49-L67 HydrophobicContact CE1-CD2 3.87Å; F49-L67 HydrophobicContact CZ-CD2 3.84Å; F49-D71 HydrophobicContact CZ-CB 4.22Å; F49-Y75 HydrophobicContact CE2-CE1 4.48Å
50	T	98.3	Very high	96.6	Very high	71 Å²	71	58.3 Å²	58.3	44%	0.436	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	119.3	179	-54.5	0	0	0	0	109.2	Q63	T50-Q63 PolarHBondContact N-O 2.71Å; T50-Q63 PolarHBondContact O-N 2.82Å
51	I	98.4	Very high	96.7	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.031	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	139.6	172.2	-164.3	171.9	0	0	0	109.6	A30 I32 T39 Y41 L60 Y61 L62	A30-I51 HydrophobicContact CB-CB 3.73Å; A30-I51 HydrophobicContact CB-CD1 3.9Å; A30-I51 HydrophobicContact CB-CG1 4.34Å; A30-I51 HydrophobicContact CB-CG2 3.94Å; I32-I51 HydrophobicContact CB-CD1 4.03Å; I32-I51 HydrophobicContact CB-CG1 4.29Å; I32-I51 HydrophobicContact CB-CG2 3.98Å; I32-I51 HydrophobicContact CG2-CD1 3.73Å; I32-I51 HydrophobicContact CG2-CG1 4.06Å; T39-I51 HydrophobicContact CG2-CG2 3.8Å; Y41-I51 HydrophobicContact CE1-CB 4.3Å; Y41-I51 HydrophobicContact CE1-CG2 3.99Å; Y41-I51 WeakPolarHBondContact OH-CG2 3.21Å; Y41-I51 PolarHBondContact OH-N 2.87Å; I51-L60 HydrophobicContact CD1-CD1 3.92Å; I51-L60 HydrophobicContact CD1-CD2 4.48Å; I51-L60 HydrophobicContact CD1-CG 4.47Å; I51-L60 HydrophobicContact CG1-CD1 3.95Å; I51-Y61 WeakPolarHBondContact CA-O 3.36Å; I51-Y61 WeakPolarHBondContact CG1-O 3.33Å; I51-L62 HydrophobicContact CB-CD1 4.35Å
52	S	98.1	Very high	96.8	Very high	55 Å²	55	54.5 Å²	54.5	39%	0.385	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	163.6	172.2	63.8	0	0	0	0	110.5	Y61	S52-Y61 PolarHBondContact N-O 3.4Å; S52-Y61 PolarHBondContact O-N 3.08Å
53	R	97.6	Very high	96.9	Very high	36 Å²	36	59.9 Å²	59.9	14%	0.136	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.5	-177.8	66.8	-177.4	-68.7	152.9	2.1	111.4	F10 Y13 I32 S33 D34 N55 N59 L60	F10-R53 HydrophobicContact CE1-CB 4.25Å; F10-R53 HydrophobicContact CZ-CB 4.18Å; F10-R53 PolarHBondContact O-NH2 2.94Å; Y13-R53 PolarHBondContact O-NH1 2.94Å; I32-R53 HydrophobicContact CD1-CB 4.27Å; I32-R53 HydrophobicContact CD1-CG 3.75Å; I32-R53 HydrophobicContact CG1-CG 4.36Å; I32-R53 HydrophobicContact CG2-CB 4.46Å; S33-R53 WeakPolarHBondContact O-CD 3.28Å; S33-R53 PolarHBondContact O-NH1 3.33Å; D34-R53 PolarHBondContact O-NE 3.29Å; D34-R53 PolarHBondContact O-NH1 3.46Å; D34-R53 VanDerWaalsContact O-NH1 3.14Å; D34-R53 PolarHBondContact O-NH2 3.41Å; R53-N55 PolarHBondContact NE-OD1 2.87Å; R53-N55 PolarHBondContact NH2-OD1 2.85Å; R53-N59 CarbonylContact C-O 3.55Å; R53-N59 WeakPolarHBondContact CA-O 3.34Å; R53-L60 HydrophobicContact CB-CD1 4.27Å
54	D	97.1	Very high	97	Very high	42 Å²	42	55.2 Å²	55.2	23%	0.225	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	106.2	170.9	-177.2	-20.7	0	0	0	108.5	A56 K57 N58 N59 Y61	D54-A56 VanDerWaalsContact C-N 3.34Å; D54-A56 WeakPolarHBondContact OD1-CB 3.37Å; D54-A56 PolarHBondContact OD1-N 2.93Å; D54-K57 HydrophobicContact CB-CB 4.32Å; D54-K57 PolarHBondContact O-N 3.03Å; D54-K57 PolarHBondContact OD1-N 3.05Å; D54-K57 VanDerWaalsContact OD1-N 3.14Å; D54-K57 WeakPolarHBondContact OD2-CD 3.5Å; D54-K57 VanDerWaalsContact OD2-CE 3.25Å; D54-K57 WeakPolarHBondContact OD2-CE 3.45Å; D54-K57 WeakPolarHBondContact OD2-CG 3.23Å; D54-K57 IonicContact OD2-NZ 3.51Å; D54-N58 PolarHBondContact O-N 2.83Å; D54-N59 PolarHBondContact N-O 2.93Å; D54-N59 PolarHBondContact O-N 2.89Å; D54-Y61 HydrophobicContact CB-CE2 4.05Å
55	N	95.8	Very high	97.2	Very high	61 Å²	61	53.5 Å²	53.5	33%	0.326	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-27	-178.6	-77	-11.4	0	0	0	113.2	F10 D34 R53 K57 N58	F10-N55 WeakPolarHBondContact CD1-OD1 3.44Å; F10-N55 WeakPolarHBondContact CE1-OD1 3.16Å; D34-N55 PolarHBondContact O-ND2 2.84Å; R53-N55 PolarHBondContact NE-OD1 2.87Å; R53-N55 PolarHBondContact NH2-OD1 2.85Å; N55-K57 VanDerWaalsContact C-N 3.28Å; N55-N58 PolarHBondContact O-OD1 3.26Å
56	A	95.4	Very high	97.1	Very high	96 Å²	96	60.7 Å²	60.7	79%	0.793	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-28.6	177.7	0	0	0	0	0	111.3	D54	D54-A56 VanDerWaalsContact C-N 3.34Å; D54-A56 WeakPolarHBondContact OD1-CB 3.37Å; D54-A56 PolarHBondContact OD1-N 2.93Å
57	K	96.4	Very high	97.2	Very high	134 Å²	134	57.6 Å²	57.6	58%	0.583	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-0.5	-180	-59.7	-177.6	-166.2	160.5	0	114.4	D54 N55 N59	D54-K57 HydrophobicContact CB-CB 4.32Å; D54-K57 PolarHBondContact O-N 3.03Å; D54-K57 PolarHBondContact OD1-N 3.05Å; D54-K57 VanDerWaalsContact OD1-N 3.14Å; D54-K57 WeakPolarHBondContact OD2-CD 3.5Å; D54-K57 VanDerWaalsContact OD2-CE 3.25Å; D54-K57 WeakPolarHBondContact OD2-CE 3.45Å; D54-K57 WeakPolarHBondContact OD2-CG 3.23Å; D54-K57 IonicContact OD2-NZ 3.51Å; N55-K57 VanDerWaalsContact C-N 3.28Å; K57-N59 HydrophobicContact CB-CB 4.32Å; K57-N59 PolarHBondContact O-N 2.8Å
58	N	96.1	Very high	97.2	Very high	62 Å²	62	59.2 Å²	59.2	33%	0.332	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	38.1	-172.1	-58.5	-35	0	0	0	113.2	A5 F10 D54 N55	A5-N58 HydrophobicContact CB-CB 4.47Å; A5-N58 PolarHBondContact N-O 3.31Å; F10-N58 HydrophobicContact CB-CB 3.92Å; F10-N58 WeakPolarHBondContact CB-OD1 3.43Å; F10-N58 HydrophobicContact CD1-CB 4.33Å; F10-N58 HydrophobicContact CG-CB 4.08Å; D54-N58 PolarHBondContact O-N 2.83Å; N55-N58 PolarHBondContact O-OD1 3.26Å
59	N	97.3	Very high	97	Very high	29 Å²	29	61.6 Å²	61.6	16%	0.155	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.2	-175	-76.9	-28	0	0	0	112.1	C3 A4 F10 R53 D54 K57 Y61	C3-N59 WeakPolarHBondContact O-CA 3.31Å; A4-N59 VanDerWaalsContact CA-OD1 3.23Å; A4-N59 WeakPolarHBondContact CA-OD1 3.34Å; A4-N59 VanDerWaalsContact CB-OD1 3.28Å; A4-N59 WeakPolarHBondContact CB-OD1 3.48Å; F10-N59 WeakPolarHBondContact CZ-O 3.29Å; R53-N59 CarbonylContact C-O 3.55Å; R53-N59 WeakPolarHBondContact CA-O 3.34Å; D54-N59 PolarHBondContact N-O 2.93Å; D54-N59 PolarHBondContact O-N 2.89Å; K57-N59 HydrophobicContact CB-CB 4.32Å; K57-N59 PolarHBondContact O-N 2.8Å; N59-Y61 HydrophobicContact CB-CE1 4.32Å; N59-Y61 HydrophobicContact CB-CE2 3.61Å; N59-Y61 WeakPolarHBondContact CB-OH 3.02Å; N59-Y61 PolarHBondContact ND2-OH 2.88Å
60	L	98.1	Very high	96.8	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.7	168.4	-172.4	71.2	0	0	0	109.8	S2 C3 F10 M15 W17 I32 I51 R53 C77	S2-L60 CarbonylContact C-O 3.53Å; S2-L60 VanDerWaalsContact CA-O 3.29Å; S2-L60 WeakPolarHBondContact CA-O 3.21Å; C3-L60 HydrophobicContact CB-CB 4.33Å; C3-L60 PolarHBondContact N-O 3.18Å; C3-L60 PolarHBondContact O-N 2.84Å; F10-L60 HydrophobicContact CE2-CB 4.35Å; F10-L60 HydrophobicContact CZ-CB 4.3Å; M15-L60 HydrophobicContact CB-CD1 3.65Å; M15-L60 HydrophobicContact CB-CD2 3.92Å; M15-L60 HydrophobicContact CB-CG 4.32Å; M15-L60 HydrophobicContact CE-CD2 4.25Å; W17-L60 HydrophobicContact CG-CD2 4.43Å; W17-L60 HydrophobicContact CZ2-CD2 4.47Å; W17-L60 VanDerWaalsContact NE1-CD2 3.3Å; I32-L60 HydrophobicContact CG2-CD1 3.53Å; I51-L60 HydrophobicContact CD1-CD1 3.92Å; I51-L60 HydrophobicContact CD1-CD2 4.48Å; I51-L60 HydrophobicContact CD1-CG 4.47Å; I51-L60 HydrophobicContact CG1-CD1 3.95Å; R53-L60 HydrophobicContact CB-CD1 4.27Å; L60-C77 HydrophobicContact CD2-CB 4.09Å
61	Y	98.4	Very high	96.7	Very high	73 Å²	73	65 Å²	65	29%	0.286	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	145.7	179.8	-56.4	-79.8	0	0	0	111.1	L1 I51 S52 D54 N59	L1-Y61 CarbonylContact O-C 3.54Å; L1-Y61 WeakPolarHBondContact O-CA 3.39Å; I51-Y61 WeakPolarHBondContact CA-O 3.36Å; I51-Y61 WeakPolarHBondContact CG1-O 3.33Å; S52-Y61 PolarHBondContact N-O 3.4Å; S52-Y61 PolarHBondContact O-N 3.08Å; D54-Y61 HydrophobicContact CB-CE2 4.05Å; N59-Y61 HydrophobicContact CB-CE1 4.32Å; N59-Y61 HydrophobicContact CB-CE2 3.61Å; N59-Y61 WeakPolarHBondContact CB-OH 3.02Å; N59-Y61 PolarHBondContact ND2-OH 2.88Å
62	L	98.6	Very high	96.6	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.01	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	108.4	168.3	-173.4	70.5	0	0	0	108.6	L1 W17 V29 A30 F49 I51 M64 Y75	L1-L62 HydrophobicContact CB-CB 4.26Å; L1-L62 HydrophobicContact CD1-CD2 4.31Å; L1-L62 PolarHBondContact N-O 3.3Å; L1-L62 PolarHBondContact O-N 3.01Å; W17-L62 HydrophobicContact CB-CD2 4.16Å; W17-L62 HydrophobicContact CD2-CB 4.14Å; W17-L62 HydrophobicContact CD2-CD2 4.27Å; W17-L62 HydrophobicContact CG-CB 4.06Å; W17-L62 HydrophobicContact CG-CD1 4.45Å; W17-L62 HydrophobicContact CG-CD2 3.98Å; W17-L62 HydrophobicContact CG-CG 4.4Å; W17-L62 HydrophobicContact CZ2-CB 4.45Å; V29-L62 HydrophobicContact CG1-CD1 4.42Å; V29-L62 HydrophobicContact CG1-CD2 3.88Å; A30-L62 HydrophobicContact CB-CD1 4.11Å; F49-L62 HydrophobicContact CB-CD1 4.16Å; F49-L62 HydrophobicContact CD2-CD2 4.44Å; I51-L62 HydrophobicContact CB-CD1 4.35Å; L62-M64 HydrophobicContact CD2-CG 3.91Å; L62-M64 HydrophobicContact CD2-SD 3.97Å; L62-M64 HydrophobicContact CG-CG 3.95Å; L62-Y75 HydrophobicContact CD2-CD1 4.28Å; L62-Y75 HydrophobicContact CD2-CE1 4.44Å
63	Q	98.4	Very high	96.6	Very high	135 Å²	135	64.1 Å²	64.1	63%	0.631	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	126.4	168.1	-176.9	173.2	-6.8	0	0	108.3	F49 T50	F49-Q63 CarbonylContact C-O 3.51Å; F49-Q63 VanDerWaalsContact CA-O 3.26Å; F49-Q63 WeakPolarHBondContact CA-O 3.47Å; T50-Q63 PolarHBondContact N-O 2.71Å; T50-Q63 PolarHBondContact O-N 2.82Å
64	M	97.6	Very high	96.6	Very high	42 Å²	42	64.4 Å²	64.4	21%	0.207	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.6	178.8	-59.9	178.2	-59.2	0	0	108.1	L1 F49 L62 L67 Y75 V96	L1-M64 HydrophobicContact CD1-CE 4.16Å; L1-M64 HydrophobicContact CD1-SD 4.27Å; L1-M64 HydrophobicContact CD2-CE 3.93Å; L1-M64 HydrophobicContact CG-CE 3.76Å; L1-M64 HydrophobicContact CG-SD 4.36Å; F49-M64 HydrophobicContact CD1-CB 3.73Å; F49-M64 HydrophobicContact CD1-CG 3.89Å; F49-M64 HydrophobicContact CD2-CG 4.17Å; F49-M64 HydrophobicContact CE1-CB 3.66Å; F49-M64 HydrophobicContact CE1-CG 3.92Å; F49-M64 HydrophobicContact CE2-CG 4.18Å; F49-M64 HydrophobicContact CE2-SD 4.29Å; F49-M64 HydrophobicContact CG-CB 4.39Å; F49-M64 HydrophobicContact CG-CG 4.05Å; F49-M64 HydrophobicContact CZ-CB 4.22Å; F49-M64 HydrophobicContact CZ-CG 4.06Å; F49-M64 HydrophobicContact CZ-SD 4.23Å; L62-M64 HydrophobicContact CD2-CG 3.91Å; L62-M64 HydrophobicContact CD2-SD 3.97Å; L62-M64 HydrophobicContact CG-CG 3.95Å; M64-L67 HydrophobicContact CB-CD1 4.42Å; M64-L67 HydrophobicContact CB-CD2 3.96Å; M64-L67 HydrophobicContact CB-CG 4.2Å; M64-L67 HydrophobicContact SD-CD2 4.28Å; M64-Y75 HydrophobicContact SD-CE1 4.16Å; M64-V96 HydrophobicContact CE-CG1 4.19Å; M64-V96 HydrophobicContact CE-CG2 4.15Å
65	S	96.4	Very high	96.7	Very high	40 Å²	40	62.4 Å²	62.4	28%	0.28	33%	0.326	S	S	.	.			trans	-114.5	158.7	173.8	74	0	0	0	0	110.1	R48 L67	R48-S65 WeakPolarHBondContact CB-O 3.4Å; R48-S65 WeakPolarHBondContact O-CB 3.46Å; R48-S65 PolarHBondContact O-N 2.89Å; R48-S65 PolarHBondContact O-OG 3.04Å; S65-L67 VanDerWaalsContact C-N 3.29Å; S65-L67 PolarHBondContact O-N 2.9Å
66	H	95	Very high	96.8	Very high	152 Å²	152	61.6 Å²	61.6	70%	0.704	32%	0.319	S	S	*	.	S	Bend	trans	49.5	50	177.9	-52.2	96.9	0	0	0	112.6	R48	R48-H66 HydrophobicContact CG-CB 4.41Å; R48-H66 PolarHBondContact NH1-O 2.82Å
67	L	96	Very high	96.8	Very high	69 Å²	69	57.6 Å²	57.6	36%	0.361	29%	0.285	S	S	.	.			trans	-61.8	141.3	178.9	-80.3	167.6	0	0	0	110.7	F49 M64 S65 D71 V98	F49-L67 HydrophobicContact CE1-CD2 3.87Å; F49-L67 HydrophobicContact CZ-CD2 3.84Å; M64-L67 HydrophobicContact CB-CD1 4.42Å; M64-L67 HydrophobicContact CB-CD2 3.96Å; M64-L67 HydrophobicContact CB-CG 4.2Å; M64-L67 HydrophobicContact SD-CD2 4.28Å; S65-L67 VanDerWaalsContact C-N 3.29Å; S65-L67 PolarHBondContact O-N 2.9Å; L67-D71 HydrophobicContact CD2-CB 3.76Å; L67-V98 HydrophobicContact CB-CG1 4.14Å; L67-V98 HydrophobicContact CB-CG2 4.01Å; L67-V98 HydrophobicContact CD1-CG2 4.19Å; L67-V98 HydrophobicContact CD2-CG2 4.19Å; L67-V98 HydrophobicContact CG-CG2 4.37Å
68	K	95.3	Very high	96.7	Very high	107 Å²	107	51.3 Å²	51.3	47%	0.465	26%	0.258	S	S	.	.			trans	-116.2	161.7	175.5	-59.3	179.9	-178.5	-178.6	0	109.6	E70 D71 V98	K68-E70 PolarHBondContact O-N 3.01Å; K68-D71 PolarHBondContact N-OD2 2.95Å; K68-D71 WeakPolarHBondContact O-CB 3.38Å; K68-D71 PolarHBondContact O-N 2.86Å; K68-V98 WeakPolarHBondContact O-CB 3.46Å
69	S	94.6	Very high	96.5	Very high	78 Å²	78	48.5 Å²	48.5	55%	0.545	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-54.7	-36.7	174.5	51.3	0	0	0	0	112.5	D71 T72	S69-D71 PolarHBondContact O-N 2.81Å; S69-T72 VanDerWaalsContact O-CB 3.23Å; S69-T72 WeakPolarHBondContact O-CB 3.26Å; S69-T72 PolarHBondContact O-N 3.09Å; S69-T72 PolarHBondContact O-OG1 2.98Å
70	E	93.5	Very high	95.5	Very high	143 Å²	143	47.6 Å²	47.6	67%	0.668	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-61.3	-16.7	174.5	-62.8	168.5	-159	0	0	114.3	K68 T72	K68-E70 PolarHBondContact O-N 3.01Å; E70-T72 VanDerWaalsContact C-N 3.27Å
71	D	96.1	Very high	94	Very high	2 Å²	2	50 Å²	50	1%	0.011	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-84.9	-2.6	175.3	-59.4	-50.6	0	0	0	112.9	R19 R48 F49 L67 K68 S69 A73 Y75	R19-D71 IonicContact NH1-OD1 2.96Å; R19-D71 PolarHBondContact NH1-OD1 2.83Å; R48-D71 IonicContact CZ-OD1 3.79Å; R48-D71 IonicContact CZ-OD2 3.41Å; R48-D71 IonicContact NH1-OD1 3.75Å; R48-D71 IonicContact NH1-OD2 2.67Å; R48-D71 PolarHBondContact NH1-OD2 3.41Å; R48-D71 IonicContact NH2-OD1 2.9Å; R48-D71 PolarHBondContact NH2-OD1 2.92Å; R48-D71 IonicContact NH2-OD2 3.29Å; R48-D71 PolarHBondContact NH2-OD2 3.27Å; F49-D71 HydrophobicContact CZ-CB 4.22Å; L67-D71 HydrophobicContact CD2-CB 3.76Å; K68-D71 PolarHBondContact N-OD2 2.95Å; K68-D71 WeakPolarHBondContact O-CB 3.38Å; K68-D71 PolarHBondContact O-N 2.86Å; S69-D71 PolarHBondContact O-N 2.81Å; D71-A73 PolarHBondContact O-N 3.34Å; D71-A73 VanDerWaalsContact O-N 3.15Å; D71-Y75 VanDerWaalsContact O-CE2 3.31Å; D71-Y75 WeakPolarHBondContact O-CE2 3.42Å; D71-Y75 PolarHBondContact O-OH 2.89Å
72	T	97	Very high	91.9	Very high	37 Å²	37	55.6 Å²	55.6	23%	0.227	28%	0.276	C	S	.	.			trans	-63.3	112.7	172.9	-64.2	0	0	0	0	109.7	P22 S69 E70 V96 T97 V98	P22-T72 WeakPolarHBondContact CD-O 3.44Å; S69-T72 VanDerWaalsContact O-CB 3.23Å; S69-T72 WeakPolarHBondContact O-CB 3.26Å; S69-T72 PolarHBondContact O-N 3.09Å; S69-T72 PolarHBondContact O-OG1 2.98Å; E70-T72 VanDerWaalsContact C-N 3.27Å; T72-V96 VanDerWaalsContact CA-O 3.3Å; T72-V96 WeakPolarHBondContact CA-O 3.25Å; T72-T97 HydrophobicContact CG2-CG2 4.32Å; T72-V98 PolarHBondContact OG1-N 3.14Å; T72-V98 PolarHBondContact OG1-O 3.4Å
73	A	97.6	Very high	89.9	Confident	7 Å²	7	64.5 Å²	64.5	6%	0.058	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	169.8	-175.1	0	0	0	0	0	110.5	R19 Q20 D71 Y75 V96	R19-A73 HydrophobicContact CB-CB 3.87Å; R19-A73 HydrophobicContact CG-CB 4.17Å; Q20-A73 WeakPolarHBondContact O-CA 3.32Å; Q20-A73 VanDerWaalsContact O-CB 3.31Å; Q20-A73 WeakPolarHBondContact O-CB 3.42Å; D71-A73 PolarHBondContact O-N 3.34Å; D71-A73 VanDerWaalsContact O-N 3.15Å; A73-Y75 HydrophobicContact CB-CD2 4.28Å; A73-Y75 HydrophobicContact CB-CE2 3.74Å; A73-Y75 WeakPolarHBondContact O-CD2 3.21Å; A73-V96 PolarHBondContact N-O 3Å; A73-V96 PolarHBondContact O-N 2.96Å
74	M	98.2	Very high	88	Confident	41 Å²	41	66.5 Å²	66.5	20%	0.202	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	122.2	167	-134	-38.4	-56.3	0	0	108.5	R19 Q20 Y76 G93 T94 S95	R19-M74 CarbonylContact C-O 3.42Å; R19-M74 WeakPolarHBondContact CA-O 3.46Å; Q20-M74 HydrophobicContact CB-CB 4.31Å; Q20-M74 PolarHBondContact N-O 2.92Å; Q20-M74 PolarHBondContact O-N 2.76Å; M74-Y76 HydrophobicContact CB-CE2 4Å; M74-Y76 HydrophobicContact CE-CD1 3.66Å; M74-Y76 HydrophobicContact CE-CD2 3.69Å; M74-Y76 HydrophobicContact CE-CE1 3.33Å; M74-Y76 HydrophobicContact CE-CE2 3.34Å; M74-Y76 HydrophobicContact CE-CG 3.84Å; M74-G93 VanDerWaalsContact CE-C 3.42Å; M74-T94 VanDerWaalsContact SD-CA 3.56Å; M74-T94 PolarHBondContact SD-N 2.65Å; M74-S95 PolarHBondContact SD-N 2.95Å
75	Y	98.3	Very high	86.1	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124	-177.9	-72.6	-103.8	0	0	0	113.6	L1 R19 V29 F49 L62 M64 D71 A73 G93 T94 V96	L1-Y75 VanDerWaalsContact CD1-CB 3.46Å; L1-Y75 HydrophobicContact CD1-CD1 3.92Å; L1-Y75 HydrophobicContact CD1-CD2 4.42Å; L1-Y75 HydrophobicContact CD1-CG 3.69Å; R19-Y75 HydrophobicContact CB-CD1 3.9Å; R19-Y75 HydrophobicContact CB-CD2 4.42Å; R19-Y75 HydrophobicContact CB-CE1 3.86Å; R19-Y75 HydrophobicContact CB-CE2 4.36Å; R19-Y75 HydrophobicContact CB-CG 4.18Å; R19-Y75 PolarHBondContact NH1-OH 2.86Å; V29-Y75 HydrophobicContact CG1-CE1 4.29Å; V29-Y75 HydrophobicContact CG2-CD1 4.3Å; V29-Y75 HydrophobicContact CG2-CE1 4Å; F49-Y75 HydrophobicContact CE2-CE1 4.48Å; L62-Y75 HydrophobicContact CD2-CD1 4.28Å; L62-Y75 HydrophobicContact CD2-CE1 4.44Å; M64-Y75 HydrophobicContact SD-CE1 4.16Å; D71-Y75 VanDerWaalsContact O-CE2 3.31Å; D71-Y75 WeakPolarHBondContact O-CE2 3.42Å; D71-Y75 PolarHBondContact O-OH 2.89Å; A73-Y75 HydrophobicContact CB-CD2 4.28Å; A73-Y75 HydrophobicContact CB-CE2 3.74Å; A73-Y75 WeakPolarHBondContact O-CD2 3.21Å; Y75-G93 CarbonylContact O-C 3.47Å; Y75-G93 WeakPolarHBondContact O-CA 3.34Å; Y75-T94 PolarHBondContact N-O 2.99Å; Y75-T94 PolarHBondContact O-N 2.87Å; Y75-V96 HydrophobicContact CD2-CB 3.77Å; Y75-V96 HydrophobicContact CD2-CG2 3.53Å; Y75-V96 HydrophobicContact CE2-CB 3.69Å; Y75-V96 HydrophobicContact CE2-CG1 4.35Å; Y75-V96 HydrophobicContact CE2-CG2 3.9Å; Y75-V96 HydrophobicContact CG-CG2 4.3Å
76	Y	97.8	Very high	84.4	Confident	44 Å²	44	75.2 Å²	75.2	17%	0.173	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.5	179.6	-53.6	-91.1	0	0	0	110.2	W17 V18 Q20 M74 W90 G91	W17-Y76 WeakPolarHBondContact CA-O 3.24Å; W17-Y76 VanDerWaalsContact CE3-C 3.48Å; V18-Y76 PolarHBondContact N-O 3.22Å; V18-Y76 PolarHBondContact O-N 3.07Å; Q20-Y76 HydrophobicContact CB-CE2 3.74Å; Q20-Y76 PolarHBondContact OE1-OH 2.97Å; M74-Y76 HydrophobicContact CB-CE2 4Å; M74-Y76 HydrophobicContact CE-CD1 3.66Å; M74-Y76 HydrophobicContact CE-CD2 3.69Å; M74-Y76 HydrophobicContact CE-CE1 3.33Å; M74-Y76 HydrophobicContact CE-CE2 3.34Å; M74-Y76 HydrophobicContact CE-CG 3.84Å; Y76-W90 HydrophobicContact CG-CE3 4.16Å; Y76-W90 HydrophobicContact CG-CZ3 4.3Å; Y76-G91 WeakPolarHBondContact CD1-O 3.13Å
77	C	96.4	Very high	83.3	Confident	13 Å²	13	69.7 Å²	69.7	9%	0.088	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	142.3	158.5	57.2	0	0	0	0	108.8	C3 S16 W17 L60 G91	C3-C77 HydrophobicContact CB-CB 3.4Å; C3-C77 WeakPolarHBondContact CB-SG 3.23Å; C3-C77 WeakPolarHBondContact SG-CB 3.49Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 3.33Å; S16-C77 CarbonylContact O-C 3.6Å; S16-C77 WeakPolarHBondContact O-CA 3.28Å; W17-C77 HydrophobicContact CD2-CB 4.41Å; W17-C77 HydrophobicContact CE3-CB 4.28Å; W17-C77 HydrophobicContact CH2-CB 4.07Å; W17-C77 HydrophobicContact CZ2-CB 4.2Å; W17-C77 HydrophobicContact CZ3-CB 4.11Å; L60-C77 HydrophobicContact CD2-CB 4.09Å; C77-G91 PolarHBondContact O-N 3.27Å
78	A	94.7	Very high	82.5	Confident	2 Å²	2	71 Å²	71	2%	0.017	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	149.6	177.2	0	0	0	0	0	110.8	S16 M87 Y89 W90	S16-A78 PolarHBondContact N-O 3.26Å; S16-A78 PolarHBondContact O-N 2.82Å; A78-M87 HydrophobicContact CB-CB 4.44Å; A78-M87 HydrophobicContact CB-CE 3.35Å; A78-M87 HydrophobicContact CB-CG 4.49Å; A78-M87 HydrophobicContact CB-SD 3.73Å; A78-Y89 CarbonylContact C-O 3.4Å; A78-Y89 WeakPolarHBondContact CA-O 3.33Å; A78-Y89 WeakPolarHBondContact CB-O 3.35Å; A78-W90 HydrophobicContact CB-CD2 3.76Å; A78-W90 HydrophobicContact CB-CE3 3.94Å; A78-W90 HydrophobicContact CB-CG 4.19Å; A78-W90 HydrophobicContact CB-CH2 4.44Å; A78-W90 HydrophobicContact CB-CZ2 4.29Å; A78-W90 HydrophobicContact CB-CZ3 4.28Å
79	S	90.4	Very high	82.1	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.014	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	140.2	176.9	-173.1	0	0	0	0	109.5	Y13 A14 M15 M87 D88 Y89	Y13-S79 VanDerWaalsContact CB-OG 3.26Å; Y13-S79 WeakPolarHBondContact CB-OG 3.28Å; A14-S79 PolarHBondContact O-OG 3.34Å; M15-S79 WeakPolarHBondContact SD-CB 3.39Å; M15-S79 PolarHBondContact SD-OG 2.83Å; S79-M87 CarbonylContact O-C 3.52Å; S79-M87 WeakPolarHBondContact O-CA 3.45Å; S79-D88 PolarHBondContact O-N 2.77Å; S79-D88 VanDerWaalsContact O-N 3.12Å; S79-Y89 PolarHBondContact N-O 3.27Å; S79-Y89 PolarHBondContact O-N 3.32Å
80	G	77.3	Confident	82	Confident	11 Å²	11	72.4 Å²	72.4	11%	0.113	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	154.9	176.3	0	0	0	0	0	112	A14 A86	A14-G80 PolarHBondContact O-N 3.01Å; G80-A86 WeakPolarHBondContact CA-O 3.47Å
81	N	65.8	Low	82.1	Confident	51 Å²	51	66.9 Å²	66.9	27%	0.273	30%	0.302	S	S	.	.			trans	-85.3	124.8	173.5	-170.1	-48.3	0	0	0	109.3	Y83 Y84 Y85	N81-Y83 PolarHBondContact O-N 2.8Å; N81-Y83 WeakPolarHBondContact OD1-CB 3.45Å; N81-Y83 WeakPolarHBondContact OD1-CD2 3.43Å; N81-Y83 PolarHBondContact OD1-N 2.75Å; N81-Y84 HydrophobicContact CB-CD2 3.99Å; N81-Y84 PolarHBondContact O-N 2.71Å; N81-Y85 PolarHBondContact O-N 3.24Å
82	Y	55.9	Low	82	Confident	190 Å²	190	75.7 Å²	75.7	75%	0.745	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-28.1	179.8	-174.4	-98.5	0	0	0	113.1
83	Y	56.6	Low	82	Confident	189 Å²	189	75.7 Å²	75.7	74%	0.741	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-20.8	-178.8	-67.6	-79	0	0	0	114.8	N81	N81-Y83 PolarHBondContact O-N 2.8Å; N81-Y83 WeakPolarHBondContact OD1-CB 3.45Å; N81-Y83 WeakPolarHBondContact OD1-CD2 3.43Å; N81-Y83 PolarHBondContact OD1-N 2.75Å
84	Y	57.2	Low	82	Confident	176 Å²	176	78.3 Å²	78.3	69%	0.69	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.1	-3.3	-167.5	-66.9	-75	0	0	0	114.9	N81 A86	N81-Y84 HydrophobicContact CB-CD2 3.99Å; N81-Y84 PolarHBondContact O-N 2.71Å; Y84-A86 PolarHBondContact O-N 3.14Å
85	Y	57.6	Low	81.9	Confident	227 Å²	227	80.3 Å²	80.3	89%	0.89	38%	0.384	S	S	*	.			trans	52.1	8.9	-175.8	-59.3	-78.9	0	0	0	115.2	N81	N81-Y85 PolarHBondContact O-N 3.24Å
86	A	61.6	Low	81.9	Confident	39 Å²	39	81.2 Å²	81.2	32%	0.322	39%	0.39	S	S	.	.			trans	-94.1	132.5	178.7	0	0	0	0	0	109.6	G80 Y84	G80-A86 WeakPolarHBondContact CA-O 3.47Å; Y84-A86 PolarHBondContact O-N 3.14Å
87	M	71.1	Confident	81.8	Confident	35 Å²	35	84.3 Å²	84.3	17%	0.172	41%	0.413	C	S	.	.			trans	-99.5	94.3	170.1	-69.4	-173.6	120.2	0	0	108.7	V18 W28 A78 S79 Y89 W90	V18-M87 HydrophobicContact CG2-CE 4.05Å; V18-M87 HydrophobicContact CG2-SD 4.1Å; W28-M87 HydrophobicContact CE3-CE 4.4Å; W28-M87 HydrophobicContact CH2-CE 3.13Å; W28-M87 HydrophobicContact CH2-CG 4.21Å; W28-M87 HydrophobicContact CH2-SD 3.46Å; W28-M87 WeakPolarHBondContact CH2-SD 3.32Å; W28-M87 HydrophobicContact CZ2-CE 4.04Å; W28-M87 HydrophobicContact CZ2-SD 3.76Å; W28-M87 HydrophobicContact CZ3-CE 3.36Å; W28-M87 HydrophobicContact CZ3-SD 4.17Å; A78-M87 HydrophobicContact CB-CB 4.44Å; A78-M87 HydrophobicContact CB-CE 3.35Å; A78-M87 HydrophobicContact CB-CG 4.49Å; A78-M87 HydrophobicContact CB-SD 3.73Å; S79-M87 CarbonylContact O-C 3.52Å; S79-M87 WeakPolarHBondContact O-CA 3.45Å; M87-Y89 VanDerWaalsContact C-N 3.32Å; M87-W90 HydrophobicContact CB-CZ2 3.93Å; M87-W90 HydrophobicContact CG-CZ2 4.33Å; M87-W90 PolarHBondContact O-NE1 3.4Å; M87-W90 VanDerWaalsContact O-NE1 3.08Å; M87-W90 HydrophobicContact SD-CH2 3.96Å; M87-W90 HydrophobicContact SD-CZ2 3.49Å; M87-W90 WeakPolarHBondContact SD-CZ2 3.44Å
88	D	78.9	Confident	81.8	Confident	96 Å²	96	85 Å²	85	51%	0.513	42%	0.417	S	S	.	.			trans	-75.1	-24	-172.4	-57.7	-39.3	0	0	0	112.4	S79	S79-D88 PolarHBondContact O-N 2.77Å; S79-D88 VanDerWaalsContact O-N 3.12Å
89	Y	87.3	Confident	81.6	Confident	103 Å²	103	90 Å²	90	40%	0.404	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	130.5	-177.2	-54.7	-82	0	0	0	111.4	F8 A78 S79 M87	F8-Y89 HydrophobicContact CB-CE2 4.32Å; F8-Y89 HydrophobicContact CD1-CD1 4.32Å; F8-Y89 HydrophobicContact CD1-CD2 4.15Å; F8-Y89 HydrophobicContact CD1-CE1 4.48Å; F8-Y89 HydrophobicContact CD1-CE2 4.33Å; F8-Y89 HydrophobicContact CD1-CG 4.15Å; F8-Y89 HydrophobicContact CE1-CD2 4.34Å; F8-Y89 HydrophobicContact CE1-CG 4.18Å; F8-Y89 HydrophobicContact CG-CD2 4.38Å; F8-Y89 HydrophobicContact CG-CE2 4.26Å; A78-Y89 CarbonylContact C-O 3.4Å; A78-Y89 WeakPolarHBondContact CA-O 3.33Å; A78-Y89 WeakPolarHBondContact CB-O 3.35Å; S79-Y89 PolarHBondContact N-O 3.27Å; S79-Y89 PolarHBondContact O-N 3.32Å; M87-Y89 VanDerWaalsContact C-N 3.32Å
90	W	93.3	Very high	80.9	Confident	113 Å²	113	98.7 Å²	98.7	43%	0.428	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137	176.8	-71.1	74.7	0	0	0	110.4	V18 Y76 A78 M87	V18-W90 HydrophobicContact CB-CH2 3.98Å; V18-W90 HydrophobicContact CB-CZ3 3.83Å; V18-W90 HydrophobicContact CG1-CH2 3.91Å; V18-W90 HydrophobicContact CG1-CZ3 4Å; V18-W90 HydrophobicContact CG2-CH2 3.89Å; V18-W90 HydrophobicContact CG2-CZ3 4.13Å; Y76-W90 HydrophobicContact CG-CE3 4.16Å; Y76-W90 HydrophobicContact CG-CZ3 4.3Å; A78-W90 HydrophobicContact CB-CD2 3.76Å; A78-W90 HydrophobicContact CB-CE3 3.94Å; A78-W90 HydrophobicContact CB-CG 4.19Å; A78-W90 HydrophobicContact CB-CH2 4.44Å; A78-W90 HydrophobicContact CB-CZ2 4.29Å; A78-W90 HydrophobicContact CB-CZ3 4.28Å; M87-W90 HydrophobicContact CB-CZ2 3.93Å; M87-W90 HydrophobicContact CG-CZ2 4.33Å; M87-W90 PolarHBondContact O-NE1 3.4Å; M87-W90 VanDerWaalsContact O-NE1 3.08Å; M87-W90 HydrophobicContact SD-CH2 3.96Å; M87-W90 HydrophobicContact SD-CZ2 3.49Å; M87-W90 WeakPolarHBondContact SD-CZ2 3.44Å
91	G	94.4	Very high	81.1	Confident	26 Å²	26	103.1 Å²	103.1	27%	0.268	53%	0.533	S	S	.	.			trans	-70.9	160.6	167	0	0	0	0	0	111.5	Y76 C77 G93	Y76-G91 WeakPolarHBondContact CD1-O 3.13Å; C77-G91 PolarHBondContact O-N 3.27Å; G91-G93 PolarHBondContact O-N 3.07Å
92	Q	94.8	Very high	81.9	Confident	188 Å²	188	105.8 Å²	105.8	88%	0.879	55%	0.546	S	S	*	.			trans	-62.1	-25.5	173.8	-64.4	-62.1	-44.3	0	0	112.5
93	G	96.1	Very high	83.4	Confident	37 Å²	37	101.1 Å²	101.1	38%	0.381	54%	0.535	S	S	.	.			trans	88.6	163.3	175.7	0	0	0	0	0	114.3	M74 Y75 G91	M74-G93 VanDerWaalsContact CE-C 3.42Å; Y75-G93 CarbonylContact O-C 3.47Å; Y75-G93 WeakPolarHBondContact O-CA 3.34Å; G91-G93 PolarHBondContact O-N 3.07Å
94	T	97.8	Very high	84.9	Confident	61 Å²	61	95.9 Å²	95.9	37%	0.374	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	132.2	-179.2	-174.2	0	0	0	0	112.2	L1 M74 Y75	L1-T94 HydrophobicContact CD1-CG2 3.95Å; L1-T94 HydrophobicContact CD2-CG2 3.82Å; L1-T94 HydrophobicContact CG-CG2 4.38Å; M74-T94 VanDerWaalsContact SD-CA 3.56Å; M74-T94 PolarHBondContact SD-N 2.65Å; Y75-T94 PolarHBondContact N-O 2.99Å; Y75-T94 PolarHBondContact O-N 2.87Å
95	S	97.3	Very high	86.7	Confident	84 Å²	84	90.9 Å²	90.9	59%	0.587	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	136.1	178	-171.5	0	0	0	0	110.2	M74	M74-S95 PolarHBondContact SD-N 2.95Å
96	V	97.6	Very high	88.6	Confident	18 Å²	18	81.9 Å²	81.9	11%	0.109	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.6	171.4	178.7	0	0	0	0	107.3	L1 M64 T72 A73 Y75 V98	L1-V96 HydrophobicContact CD1-CG2 4.26Å; L1-V96 HydrophobicContact CD2-CG2 3.96Å; M64-V96 HydrophobicContact CE-CG1 4.19Å; M64-V96 HydrophobicContact CE-CG2 4.15Å; T72-V96 VanDerWaalsContact CA-O 3.3Å; T72-V96 WeakPolarHBondContact CA-O 3.25Å; A73-V96 PolarHBondContact N-O 3Å; A73-V96 PolarHBondContact O-N 2.96Å; Y75-V96 HydrophobicContact CD2-CB 3.77Å; Y75-V96 HydrophobicContact CD2-CG2 3.53Å; Y75-V96 HydrophobicContact CE2-CB 3.69Å; Y75-V96 HydrophobicContact CE2-CG1 4.35Å; Y75-V96 HydrophobicContact CE2-CG2 3.9Å; Y75-V96 HydrophobicContact CG-CG2 4.3Å; V96-V98 HydrophobicContact CG1-CG2 4.32Å
97	T	96.6	Very high	90.5	Very high	109 Å²	109	84.9 Å²	84.9	67%	0.669	50%	0.499	S	S	*	.			trans	-116.2	128.8	178.1	-54.3	0	0	0	0	109.5	T72	T72-T97 HydrophobicContact CG2-CG2 4.32Å
98	V	95.1	Very high	92	Very high	29 Å²	29	88.8 Å²	88.8	18%	0.176	52%	0.524	C	S	.	.			trans	-122.6	110	177.7	-172.6	0	0	0	0	107.8	L67 K68 T72 V96	L67-V98 HydrophobicContact CB-CG1 4.14Å; L67-V98 HydrophobicContact CB-CG2 4.01Å; L67-V98 HydrophobicContact CD1-CG2 4.19Å; L67-V98 HydrophobicContact CD2-CG2 4.19Å; L67-V98 HydrophobicContact CG-CG2 4.37Å; K68-V98 WeakPolarHBondContact O-CB 3.46Å; T72-V98 PolarHBondContact OG1-N 3.14Å; T72-V98 PolarHBondContact OG1-O 3.4Å; V96-V98 HydrophobicContact CG1-CG2 4.32Å
99	S	90.4	Very high	93.1	Very high	107 Å²	107	88.2 Å²	88.2	75%	0.748	53%	0.525	S	S	*	.			trans	-97.5	149.8	172.4	56.3	0	0	0	0	110.7
100	S	76.8	Confident	93.6	Very high	183 Å²	183	86.8 Å²	86.8	100%	1.28	54%	0.536	S	S	*	.			trans	-68.8	0	170.9	57.3	0	0	0	0	112.7

Retrieved 100 of 100 residues in 41.4 ms (Link to these results)

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