X5J575_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J575, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 100 aa.

						>X5J575_MOUSE|X5J575
LSCAASGFTFSSYAMSWVRQTPEKRLEWVATISDGGSYTYYPDNVKGRFTISRDNAKNNLYLQMSHLKSEDTAMYYCASGNYYYYAMDFWGQGTSVTVSS
					

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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	94.1	Very high	60 Å²	60	56.5 Å²	56.5	31%	0.314	40%	0.404	S	S	.	.				0	149.8	0	-54.2	-178	0	0	0	109.5	W17 Y61 L62 M64 Y75 T94 V96	L1-W17 HydrophobicContact CB-CH2 3.64Å; L1-W17 HydrophobicContact CB-CZ2 3.86Å; L1-W17 HydrophobicContact CB-CZ3 4.15Å; L1-W17 HydrophobicContact CD1-CE3 4.18Å; L1-W17 HydrophobicContact CD1-CH2 4.24Å; L1-W17 HydrophobicContact CD1-CZ3 3.87Å; L1-Y61 CarbonylContact O-C 3.44Å; L1-Y61 WeakPolarHBondContact O-CA 3.46Å; L1-L62 HydrophobicContact CB-CB 4.26Å; L1-L62 HydrophobicContact CD1-CD2 4.33Å; L1-L62 PolarHBondContact N-O 2.93Å; L1-L62 PolarHBondContact O-N 2.98Å; L1-M64 HydrophobicContact CD1-CE 4.15Å; L1-M64 HydrophobicContact CD1-SD 4.27Å; L1-M64 HydrophobicContact CD2-CE 4Å; L1-M64 HydrophobicContact CG-CE 3.77Å; L1-M64 HydrophobicContact CG-SD 4.37Å; L1-Y75 VanDerWaalsContact CD1-CB 3.47Å; L1-Y75 HydrophobicContact CD1-CD1 3.84Å; L1-Y75 HydrophobicContact CD1-CD2 4.43Å; L1-Y75 HydrophobicContact CD1-CG 3.67Å; L1-T94 HydrophobicContact CD1-CG2 3.94Å; L1-T94 HydrophobicContact CD2-CG2 3.87Å; L1-T94 HydrophobicContact CG-CG2 4.41Å; L1-V96 HydrophobicContact CD1-CG2 4.24Å; L1-V96 HydrophobicContact CD2-CG2 3.97Å
2	S	97.9	Very high	93.9	Very high	87 Å²	87	57.8 Å²	57.8	61%	0.608	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.2	174.1	55.4	0	0	0	0	109.9	L60	S2-L60 CarbonylContact C-O 3.53Å; S2-L60 VanDerWaalsContact CA-O 3.31Å; S2-L60 WeakPolarHBondContact CA-O 3.33Å
3	C	97.6	Very high	93.7	Very high	17 Å²	17	58.2 Å²	58.2	12%	0.115	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	119.2	175.2	169	0	0	0	0	108.8	W17 N59 L60 C77	C3-W17 HydrophobicContact CB-CH2 3.91Å; C3-W17 HydrophobicContact CB-CZ2 3.86Å; C3-N59 CarbonylContact O-C 3.53Å; C3-N59 WeakPolarHBondContact O-CA 3.34Å; C3-L60 HydrophobicContact CB-CB 4.32Å; C3-L60 PolarHBondContact N-O 2.85Å; C3-L60 PolarHBondContact O-N 3.17Å; C3-C77 HydrophobicContact CB-CB 3.39Å; C3-C77 WeakPolarHBondContact CB-SG 3.27Å; C3-C77 WeakPolarHBondContact SG-CB 3.35Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 2.95Å
4	A	97.2	Very high	93.6	Very high	77 Å²	77	54.9 Å²	54.9	64%	0.636	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	124.6	173.1	0	0	0	0	0	108.9	N59	A4-N59 VanDerWaalsContact CA-OD1 3.31Å; A4-N59 WeakPolarHBondContact CA-OD1 3.24Å; A4-N59 WeakPolarHBondContact CB-OD1 3.15Å
5	A	94.4	Very high	93.8	Very high	14 Å²	14	51.5 Å²	51.5	12%	0.116	35%	0.354	C	S	.	.			trans	-94	141.7	179.5	0	0	0	0	0	111.2	F8 F10 N58	A5-F8 HydrophobicContact CB-CE1 4.02Å; A5-F8 HydrophobicContact CB-CE2 4.45Å; A5-F8 HydrophobicContact CB-CZ 3.7Å; A5-F10 HydrophobicContact CB-CB 4.39Å; A5-F10 HydrophobicContact CB-CD2 3.42Å; A5-F10 VanDerWaalsContact CB-CD2 3.42Å; A5-F10 HydrophobicContact CB-CE2 4.02Å; A5-F10 HydrophobicContact CB-CG 4.25Å; A5-N58 HydrophobicContact CB-CB 4.46Å; A5-N58 PolarHBondContact N-O 3.05Å
6	S	93.2	Very high	93.9	Very high	105 Å²	105	48.5 Å²	48.5	73%	0.734	33%	0.333	S	S	*	.			trans	-147.4	153.6	176.4	60.2	0	0	0	0	110
7	G	90.6	Very high	94.1	Very high	82 Å²	82	45.9 Å²	45.9	85%	0.845	32%	0.315	S	S	*	.	S	Bend	trans	90.1	-0.6	176.6	0	0	0	0	0	115.3
8	F	89.1	Confident	94.3	Very high	41 Å²	41	43.6 Å²	43.6	18%	0.18	30%	0.299	C	S	.	.	S	Bend	trans	-152.4	164.9	173.7	63.4	-84.3	0	0	0	111.2	A5 F10 Y13 M15 F89	A5-F8 HydrophobicContact CB-CE1 4.02Å; A5-F8 HydrophobicContact CB-CE2 4.45Å; A5-F8 HydrophobicContact CB-CZ 3.7Å; F8-F10 HydrophobicContact CE2-CB 4.47Å; F8-F10 HydrophobicContact CE2-CD2 4.39Å; F8-F10 PolarHBondContact O-N 3.03Å; F8-Y13 HydrophobicContact CB-CE2 4.47Å; F8-Y13 AromaticContact CD2-CD2 3.7Å; F8-Y13 HydrophobicContact CD2-CD2 3.7Å; F8-Y13 HydrophobicContact CD2-CE2 4.11Å; F8-Y13 HydrophobicContact CD2-CG 4.25Å; F8-Y13 HydrophobicContact CE2-CD2 4.26Å; F8-Y13 HydrophobicContact CE2-CG 4.43Å; F8-M15 HydrophobicContact CE2-SD 4.2Å; F8-M15 HydrophobicContact CZ-SD 4.2Å; F8-F89 HydrophobicContact CB-CE2 4.37Å; F8-F89 HydrophobicContact CB-CZ 4.48Å; F8-F89 HydrophobicContact CD1-CD2 4.19Å; F8-F89 HydrophobicContact CD1-CE2 4.39Å; F8-F89 HydrophobicContact CD1-CG 4.26Å; F8-F89 HydrophobicContact CE1-CB 4.39Å; F8-F89 HydrophobicContact CE1-CD2 4.43Å; F8-F89 HydrophobicContact CE1-CG 4.33Å; F8-F89 HydrophobicContact CG-CD2 4.48Å; F8-F89 HydrophobicContact CG-CE2 4.38Å
9	T	91.8	Very high	94.4	Very high	86 Å²	86	41.9 Å²	41.9	53%	0.528	29%	0.285	S	S	.	.			trans	-74.9	90.4	176.3	-52.4	0	0	0	0	110.2	S11 S12 Y13	T9-S11 PolarHBondContact O-N 3.27Å; T9-S11 VanDerWaalsContact O-N 3.1Å; T9-S12 VanDerWaalsContact CG2-OG 3.32Å; T9-S12 WeakPolarHBondContact CG2-OG 3.38Å; T9-S12 WeakPolarHBondContact O-CB 3.4Å; T9-S12 PolarHBondContact O-N 3Å; T9-Y13 WeakPolarHBondContact O-CD2 3.49Å
10	F	92.9	Very high	94.6	Very high	1 Å²	1	43 Å²	43	0%	0.004	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-49.3	-39.7	-175.3	178.2	-102.3	0	0	0	114.3	A5 F8 S12 Y13 M15 R53 N55 N58 N59 L60	A5-F10 HydrophobicContact CB-CB 4.39Å; A5-F10 HydrophobicContact CB-CD2 3.42Å; A5-F10 VanDerWaalsContact CB-CD2 3.42Å; A5-F10 HydrophobicContact CB-CE2 4.02Å; A5-F10 HydrophobicContact CB-CG 4.25Å; F8-F10 HydrophobicContact CE2-CB 4.47Å; F8-F10 HydrophobicContact CE2-CD2 4.39Å; F8-F10 PolarHBondContact O-N 3.03Å; F10-S12 PolarHBondContact O-N 3.22Å; F10-Y13 PolarHBondContact O-N 3.16Å; F10-M15 HydrophobicContact CD2-CE 4.32Å; F10-M15 HydrophobicContact CD2-CG 4.09Å; F10-M15 HydrophobicContact CD2-SD 3.82Å; F10-M15 HydrophobicContact CE2-CE 3.85Å; F10-M15 HydrophobicContact CE2-CG 3.49Å; F10-M15 VanDerWaalsContact CE2-CG 3.49Å; F10-M15 HydrophobicContact CE2-SD 3.66Å; F10-M15 HydrophobicContact CZ-CG 3.93Å; F10-R53 HydrophobicContact CE1-CB 4.22Å; F10-R53 HydrophobicContact CZ-CB 4.16Å; F10-R53 PolarHBondContact O-NH2 2.8Å; F10-N55 WeakPolarHBondContact CD1-OD1 3.42Å; F10-N55 VanDerWaalsContact CE1-OD1 3.32Å; F10-N55 WeakPolarHBondContact CE1-OD1 3.18Å; F10-N58 HydrophobicContact CB-CB 3.92Å; F10-N58 WeakPolarHBondContact CB-OD1 3.02Å; F10-N58 HydrophobicContact CD1-CB 4.36Å; F10-N58 HydrophobicContact CG-CB 4.08Å; F10-N59 WeakPolarHBondContact CZ-O 3.38Å; F10-L60 HydrophobicContact CE2-CB 4.38Å; F10-L60 HydrophobicContact CZ-CB 4.31Å
11	S	93.2	Very high	94.6	Very high	52 Å²	52	41.7 Å²	41.7	36%	0.364	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-70.9	-5.3	179.6	60.6	0	0	0	0	114.9	T9 D34	T9-S11 PolarHBondContact O-N 3.27Å; T9-S11 VanDerWaalsContact O-N 3.1Å; S11-D34 WeakPolarHBondContact O-CB 3.21Å
12	S	91.2	Very high	94.3	Very high	71 Å²	71	43.1 Å²	43.1	50%	0.497	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-99.8	-2.9	177.3	-58.2	0	0	0	0	113.2	T9 F10	T9-S12 VanDerWaalsContact CG2-OG 3.32Å; T9-S12 WeakPolarHBondContact CG2-OG 3.38Å; T9-S12 WeakPolarHBondContact O-CB 3.4Å; T9-S12 PolarHBondContact O-N 3Å; F10-S12 PolarHBondContact O-N 3.22Å
13	Y	91.3	Very high	94.1	Very high	63 Å²	63	46.1 Å²	46.1	25%	0.247	29%	0.294	C	S	.	.	S	Bend	trans	-124.6	144	-174.7	-69.1	-96.9	0	0	0	112.2	F8 T9 F10 D34 R53	F8-Y13 HydrophobicContact CB-CE2 4.47Å; F8-Y13 AromaticContact CD2-CD2 3.7Å; F8-Y13 HydrophobicContact CD2-CD2 3.7Å; F8-Y13 HydrophobicContact CD2-CE2 4.11Å; F8-Y13 HydrophobicContact CD2-CG 4.25Å; F8-Y13 HydrophobicContact CE2-CD2 4.26Å; F8-Y13 HydrophobicContact CE2-CG 4.43Å; T9-Y13 WeakPolarHBondContact O-CD2 3.49Å; F10-Y13 PolarHBondContact O-N 3.16Å; Y13-D34 VanDerWaalsContact O-CA 3.3Å; Y13-D34 WeakPolarHBondContact O-CA 3.39Å; Y13-R53 PolarHBondContact O-NH1 3.03Å
14	A	93.1	Very high	93.7	Very high	12 Å²	12	53.1 Å²	53.1	10%	0.099	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	145	163.2	0	0	0	0	0	109.1	I32 S79 G80	A14-I32 WeakPolarHBondContact CA-O 3.46Å; A14-S79 WeakPolarHBondContact O-CA 3.2Å; A14-G80 PolarHBondContact N-O 3.49Å; A14-G80 PolarHBondContact O-N 2.92Å; A14-G80 VanDerWaalsContact O-N 3.13Å
15	M	95.3	Very high	93.5	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.02	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.7	-175.5	-64.9	-61.1	-53.6	0	0	110.1	F8 F10 T31 I32 L60 S79	F8-M15 HydrophobicContact CE2-SD 4.2Å; F8-M15 HydrophobicContact CZ-SD 4.2Å; F10-M15 HydrophobicContact CD2-CE 4.32Å; F10-M15 HydrophobicContact CD2-CG 4.09Å; F10-M15 HydrophobicContact CD2-SD 3.82Å; F10-M15 HydrophobicContact CE2-CE 3.85Å; F10-M15 HydrophobicContact CE2-CG 3.49Å; F10-M15 VanDerWaalsContact CE2-CG 3.49Å; F10-M15 HydrophobicContact CE2-SD 3.66Å; F10-M15 HydrophobicContact CZ-CG 3.93Å; M15-T31 CarbonylContact O-C 3.56Å; M15-T31 WeakPolarHBondContact O-CA 3.38Å; M15-I32 HydrophobicContact CB-CG2 3.93Å; M15-I32 PolarHBondContact N-O 2.91Å; M15-I32 PolarHBondContact O-N 3.36Å; M15-L60 HydrophobicContact CB-CD1 3.55Å; M15-L60 HydrophobicContact CB-CD2 3.86Å; M15-L60 HydrophobicContact CB-CG 4.23Å; M15-L60 HydrophobicContact CE-CD2 4.16Å; M15-L60 HydrophobicContact CG-CD1 4.35Å; M15-S79 WeakPolarHBondContact SD-CB 3.19Å
16	S	96	Very high	93.5	Very high	4 Å²	4	61.2 Å²	61.2	3%	0.028	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.6	-166.1	-57.4	0	0	0	0	110.6	W28 A30 C77 A78	S16-W28 WeakPolarHBondContact OG-CH2 3.31Å; S16-W28 WeakPolarHBondContact OG-CZ3 3.33Å; S16-A30 CarbonylContact C-O 3.58Å; S16-A30 WeakPolarHBondContact CA-O 3.01Å; S16-C77 CarbonylContact O-C 3.53Å; S16-C77 VanDerWaalsContact O-CA 3.29Å; S16-C77 WeakPolarHBondContact O-CA 3.44Å; S16-A78 WeakPolarHBondContact CB-O 3.39Å; S16-A78 PolarHBondContact N-O 3.23Å; S16-A78 PolarHBondContact O-N 3.4Å
17	W	97.6	Very high	93.5	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.015	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.6	159.7	-75.3	96	0	0	0	109.2	L1 C3 V29 A30 L60 L62 Y76 C77	L1-W17 HydrophobicContact CB-CH2 3.64Å; L1-W17 HydrophobicContact CB-CZ2 3.86Å; L1-W17 HydrophobicContact CB-CZ3 4.15Å; L1-W17 HydrophobicContact CD1-CE3 4.18Å; L1-W17 HydrophobicContact CD1-CH2 4.24Å; L1-W17 HydrophobicContact CD1-CZ3 3.87Å; C3-W17 HydrophobicContact CB-CH2 3.91Å; C3-W17 HydrophobicContact CB-CZ2 3.86Å; W17-V29 HydrophobicContact CB-CB 4.01Å; W17-V29 HydrophobicContact CB-CG1 4.44Å; W17-V29 WeakPolarHBondContact O-CB 3.25Å; W17-V29 PolarHBondContact O-N 3.18Å; W17-A30 PolarHBondContact N-O 2.8Å; W17-A30 PolarHBondContact O-N 3.22Å; W17-L60 HydrophobicContact CG-CD2 4.43Å; W17-L60 HydrophobicContact CZ2-CD2 4.45Å; W17-L60 VanDerWaalsContact NE1-CD2 3.3Å; W17-L62 HydrophobicContact CB-CD2 4.19Å; W17-L62 HydrophobicContact CD2-CB 4.15Å; W17-L62 HydrophobicContact CD2-CD2 4.27Å; W17-L62 HydrophobicContact CG-CB 4.09Å; W17-L62 HydrophobicContact CG-CD1 4.46Å; W17-L62 HydrophobicContact CG-CD2 3.99Å; W17-L62 HydrophobicContact CG-CG 4.42Å; W17-L62 HydrophobicContact CZ2-CB 4.45Å; W17-Y76 WeakPolarHBondContact CA-O 3.5Å; W17-Y76 VanDerWaalsContact CE3-C 3.47Å; W17-C77 HydrophobicContact CD2-CB 4.41Å; W17-C77 HydrophobicContact CE3-CB 4.28Å; W17-C77 HydrophobicContact CH2-CB 4.08Å; W17-C77 HydrophobicContact CZ2-CB 4.21Å; W17-C77 HydrophobicContact CZ3-CB 4.12Å
18	V	96.8	Very high	93.7	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.024	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143.5	174.6	-176.5	0	0	0	0	107.2	L26 E27 W28 Y75 Y76 M87 W90	V18-L26 HydrophobicContact CG1-CB 4.29Å; V18-L26 HydrophobicContact CG1-CD2 4.02Å; V18-E27 CarbonylContact C-O 3.6Å; V18-E27 WeakPolarHBondContact CA-O 3.24Å; V18-E27 WeakPolarHBondContact CG1-O 3.29Å; V18-W28 HydrophobicContact CG2-CD2 4.43Å; V18-W28 HydrophobicContact CG2-CE3 4.28Å; V18-Y75 CarbonylContact O-C 3.56Å; V18-Y76 PolarHBondContact N-O 2.95Å; V18-Y76 PolarHBondContact O-N 3.17Å; V18-M87 HydrophobicContact CG2-CE 3.57Å; V18-M87 HydrophobicContact CG2-SD 3.99Å; V18-W90 HydrophobicContact CB-CH2 4.04Å; V18-W90 HydrophobicContact CB-CZ3 3.81Å; V18-W90 HydrophobicContact CG1-CH2 3.94Å; V18-W90 HydrophobicContact CG1-CZ3 3.98Å; V18-W90 HydrophobicContact CG2-CH2 3.89Å; V18-W90 HydrophobicContact CG2-CZ3 4.02Å
19	R	97.2	Very high	94.1	Very high	13 Å²	13	57.5 Å²	57.5	5%	0.049	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	145.9	172.2	72	-179.4	-178	-176.7	5.3	111	L26 E27 V29 N44 D71 A73 M74 Y75	R19-L26 CarbonylContact O-C 3.48Å; R19-L26 WeakPolarHBondContact O-CA 3.38Å; R19-E27 HydrophobicContact CG-CB 4.03Å; R19-E27 IonicContact CZ-OE2 2.86Å; R19-E27 PolarHBondContact N-O 3.43Å; R19-E27 IonicContact NE-OE2 2.94Å; R19-E27 PolarHBondContact NE-OE2 3.14Å; R19-E27 VanDerWaalsContact NE-OE2 3.07Å; R19-E27 IonicContact NH2-OE2 3.44Å; R19-E27 PolarHBondContact NH2-OE2 2.81Å; R19-E27 PolarHBondContact O-N 2.92Å; R19-V29 HydrophobicContact CB-CG2 3.78Å; R19-V29 HydrophobicContact CG-CG2 3.67Å; R19-N44 PolarHBondContact NH2-ND2 2.82Å; R19-D71 IonicContact NH1-OD1 3.42Å; R19-D71 PolarHBondContact NH1-OD1 2.9Å; R19-A73 HydrophobicContact CB-CB 3.84Å; R19-A73 HydrophobicContact CG-CB 4.17Å; R19-M74 CarbonylContact C-O 3.42Å; R19-M74 WeakPolarHBondContact CA-O 3.37Å; R19-Y75 HydrophobicContact CB-CD1 3.97Å; R19-Y75 HydrophobicContact CB-CD2 4.33Å; R19-Y75 HydrophobicContact CB-CE1 3.96Å; R19-Y75 HydrophobicContact CB-CE2 4.3Å; R19-Y75 HydrophobicContact CB-CG 4.17Å
20	Q	97.4	Very high	94.4	Very high	63 Å²	63	53.5 Å²	53.5	29%	0.294	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	114.2	167.6	-171	174.9	42.7	0	0	108.8	R25 L26 A73 M74 Y76	Q20-R25 CarbonylContact C-O 3.57Å; Q20-R25 VanDerWaalsContact CA-O 3.29Å; Q20-R25 WeakPolarHBondContact CA-O 3.39Å; Q20-L26 HydrophobicContact CB-CD2 3.81Å; Q20-L26 HydrophobicContact CG-CD2 4.18Å; Q20-A73 WeakPolarHBondContact O-CA 3.41Å; Q20-A73 VanDerWaalsContact O-CB 3.28Å; Q20-A73 WeakPolarHBondContact O-CB 3.43Å; Q20-M74 HydrophobicContact CB-CB 4.42Å; Q20-M74 PolarHBondContact N-O 3.34Å; Q20-M74 PolarHBondContact O-N 2.73Å; Q20-Y76 HydrophobicContact CB-CE2 3.74Å; Q20-Y76 PolarHBondContact OE1-OH 3.4Å
21	T	95	Very high	94.5	Very high	16 Å²	16	54.4 Å²	54.4	10%	0.098	27%	0.266	C	S	.	.			trans	-68.9	164.9	177.3	76.9	0	0	0	0	110.8	E23 K24 R25 E27	T21-E23 VanDerWaalsContact CB-OE2 3.24Å; T21-E23 WeakPolarHBondContact CB-OE2 3.28Å; T21-E23 PolarHBondContact O-N 2.67Å; T21-E23 VanDerWaalsContact O-N 3.14Å; T21-E23 PolarHBondContact OG1-N 3.01Å; T21-E23 PolarHBondContact OG1-OE2 3.17Å; T21-K24 WeakPolarHBondContact O-CA 3.45Å; T21-K24 PolarHBondContact O-N 3.34Å; T21-R25 PolarHBondContact N-O 2.85Å; T21-E27 HydrophobicContact CG2-CG 4.25Å
22	P	92	Very high	94.6	Very high	90 Å²	90	52.3 Å²	52.3	58%	0.584	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-29.6	175	-26.7	36.9	0	0	0	113.6	K24 T72	P22-K24 PolarHBondContact O-N 2.89Å; P22-T72 WeakPolarHBondContact CD-O 3.32Å
23	E	93.4	Very high	94.7	Very high	149 Å²	149	49.8 Å²	49.8	70%	0.696	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	8.6	174.6	-53.3	70.6	-149	0	0	113.1	T21 R25	T21-E23 VanDerWaalsContact CB-OE2 3.24Å; T21-E23 WeakPolarHBondContact CB-OE2 3.28Å; T21-E23 PolarHBondContact O-N 2.67Å; T21-E23 VanDerWaalsContact O-N 3.14Å; T21-E23 PolarHBondContact OG1-N 3.01Å; T21-E23 PolarHBondContact OG1-OE2 3.17Å; E23-R25 PolarHBondContact O-N 3.31Å
24	K	89.3	Confident	94.8	Very high	165 Å²	165	50.5 Å²	50.5	72%	0.717	24%	0.242	S	C	*	.			trans	66	16	179.7	-53.8	-177.9	179.5	-180	0	114.8	T21 P22	T21-K24 WeakPolarHBondContact O-CA 3.45Å; T21-K24 PolarHBondContact O-N 3.34Å; P22-K24 PolarHBondContact O-N 2.89Å
25	R	92.8	Very high	94.5	Very high	162 Å²	162	52.5 Å²	52.5	61%	0.611	26%	0.263	S	S	*	.			trans	-78.2	128.6	175.1	-174	-176.4	-179.9	-169.9	10.3	110.4	Q20 T21 E23 E27	Q20-R25 CarbonylContact C-O 3.57Å; Q20-R25 VanDerWaalsContact CA-O 3.29Å; Q20-R25 WeakPolarHBondContact CA-O 3.39Å; T21-R25 PolarHBondContact N-O 2.85Å; E23-R25 PolarHBondContact O-N 3.31Å; R25-E27 WeakPolarHBondContact CD-OE1 3.32Å; R25-E27 HydrophobicContact CG-CG 4.04Å; R25-E27 IonicContact CZ-OE1 2.93Å; R25-E27 IonicContact NE-OE1 3.58Å; R25-E27 IonicContact NH1-OE1 3.57Å; R25-E27 PolarHBondContact NH1-OE1 2.94Å
26	L	93.8	Very high	94.4	Very high	99 Å²	99	53.7 Å²	53.7	52%	0.518	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	125.8	169.3	-69.7	171.9	0	0	0	110.2	V18 R19 Q20	V18-L26 HydrophobicContact CG1-CB 4.29Å; V18-L26 HydrophobicContact CG1-CD2 4.02Å; R19-L26 CarbonylContact O-C 3.48Å; R19-L26 WeakPolarHBondContact O-CA 3.38Å; Q20-L26 HydrophobicContact CB-CD2 3.81Å; Q20-L26 HydrophobicContact CG-CD2 4.18Å
27	E	94.8	Very high	94.3	Very high	31 Å²	31	59 Å²	59	15%	0.145	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.7	179.6	-60.5	-171.8	155.8	0	0	109.9	V18 R19 T21 R25	V18-E27 CarbonylContact C-O 3.6Å; V18-E27 WeakPolarHBondContact CA-O 3.24Å; V18-E27 WeakPolarHBondContact CG1-O 3.29Å; R19-E27 HydrophobicContact CG-CB 4.03Å; R19-E27 IonicContact CZ-OE2 2.86Å; R19-E27 PolarHBondContact N-O 3.43Å; R19-E27 IonicContact NE-OE2 2.94Å; R19-E27 PolarHBondContact NE-OE2 3.14Å; R19-E27 VanDerWaalsContact NE-OE2 3.07Å; R19-E27 IonicContact NH2-OE2 3.44Å; R19-E27 PolarHBondContact NH2-OE2 2.81Å; R19-E27 PolarHBondContact O-N 2.92Å; T21-E27 HydrophobicContact CG2-CG 4.25Å; R25-E27 WeakPolarHBondContact CD-OE1 3.32Å; R25-E27 HydrophobicContact CG-CG 4.04Å; R25-E27 IonicContact CZ-OE1 2.93Å; R25-E27 IonicContact NE-OE1 3.58Å; R25-E27 IonicContact NH1-OE1 3.57Å; R25-E27 PolarHBondContact NH1-OE1 2.94Å
28	W	94.4	Very high	94.1	Very high	119 Å²	119	64.5 Å²	64.5	45%	0.451	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	143.4	168.7	-79.2	96.3	0	0	0	110.7	S16 V18 T31 P42 M87	S16-W28 WeakPolarHBondContact OG-CH2 3.31Å; S16-W28 WeakPolarHBondContact OG-CZ3 3.33Å; V18-W28 HydrophobicContact CG2-CD2 4.43Å; V18-W28 HydrophobicContact CG2-CE3 4.28Å; W28-T31 HydrophobicContact CZ3-CG2 4.42Å; W28-T31 WeakPolarHBondContact CZ3-OG1 3.37Å; W28-P42 HydrophobicContact CB-CG 4.23Å; W28-P42 WeakPolarHBondContact O-CG 3.49Å; W28-M87 HydrophobicContact CD2-CE 4.14Å; W28-M87 HydrophobicContact CE3-CE 4.01Å; W28-M87 HydrophobicContact CH2-CE 2.91Å; W28-M87 HydrophobicContact CZ2-CE 3Å; W28-M87 HydrophobicContact CZ3-CE 3.44Å; W28-M87 VanDerWaalsContact CZ3-CE 3.44Å
29	V	96.9	Very high	94.1	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	-50.7	179.5	-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 4.44Å; W17-V29 WeakPolarHBondContact O-CB 3.25Å; W17-V29 PolarHBondContact O-N 3.18Å; R19-V29 HydrophobicContact CB-CG2 3.78Å; R19-V29 HydrophobicContact CG-CG2 3.67Å; V29-P42 WeakPolarHBondContact O-CD 3.5Å; V29-V45 VanDerWaalsContact O-CG2 3.24Å; V29-V45 WeakPolarHBondContact O-CG2 3.41Å; V29-F49 HydrophobicContact CG1-CD2 3.57Å; V29-F49 HydrophobicContact CG1-CE2 3.97Å; V29-L62 HydrophobicContact CG1-CD1 4.42Å; V29-L62 HydrophobicContact CG1-CD2 3.87Å; V29-Y75 HydrophobicContact CG1-CE1 4.24Å; V29-Y75 HydrophobicContact CG2-CD1 4.32Å; V29-Y75 HydrophobicContact CG2-CE1 4Å
30	A	97.2	Very high	94	Very high	1 Å²	1	71.9 Å²	71.9	1%	0.008	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	152.2	176.6	0	0	0	0	0	110.6	S16 W17 Y40 Y41 I51 L62	S16-A30 CarbonylContact C-O 3.58Å; S16-A30 WeakPolarHBondContact CA-O 3.01Å; W17-A30 PolarHBondContact N-O 2.8Å; W17-A30 PolarHBondContact O-N 3.22Å; A30-Y40 CarbonylContact C-O 3.59Å; A30-Y40 VanDerWaalsContact CA-O 3.3Å; A30-Y40 WeakPolarHBondContact CA-O 3.48Å; A30-Y41 HydrophobicContact CB-CD1 3.66Å; A30-Y41 HydrophobicContact CB-CE1 3.68Å; A30-I51 HydrophobicContact CB-CB 3.78Å; A30-I51 HydrophobicContact CB-CD1 3.91Å; A30-I51 HydrophobicContact CB-CG1 4.38Å; A30-I51 HydrophobicContact CB-CG2 4Å; A30-L62 HydrophobicContact CB-CD1 4.12Å
31	T	95.7	Very high	94	Very high	21 Å²	21	70.8 Å²	70.8	13%	0.129	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	143.2	175.3	-48.4	0	0	0	0	109.7	M15 W28 T39 Y40	M15-T31 CarbonylContact O-C 3.56Å; M15-T31 WeakPolarHBondContact O-CA 3.38Å; W28-T31 HydrophobicContact CZ3-CG2 4.42Å; W28-T31 WeakPolarHBondContact CZ3-OG1 3.37Å; T31-T39 CarbonylContact O-C 3.53Å; T31-T39 WeakPolarHBondContact O-CA 3.29Å; T31-Y40 PolarHBondContact N-O 2.76Å; T31-Y40 PolarHBondContact O-N 2.97Å
32	I	95.8	Very high	94.1	Very high	7 Å²	7	71 Å²	71	4%	0.036	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	134.6	173.6	-171.9	161.3	0	0	0	110	A14 M15 Y38 T39 I51 R53 L60	A14-I32 WeakPolarHBondContact CA-O 3.46Å; M15-I32 HydrophobicContact CB-CG2 3.93Å; M15-I32 PolarHBondContact N-O 2.91Å; M15-I32 PolarHBondContact O-N 3.36Å; I32-Y38 WeakPolarHBondContact CA-O 3.43Å; I32-T39 HydrophobicContact CB-CG2 4.24Å; I32-T39 HydrophobicContact CD1-CG2 3.98Å; I32-T39 HydrophobicContact CG1-CG2 3.92Å; I32-I51 HydrophobicContact CB-CD1 4.01Å; I32-I51 HydrophobicContact CB-CG1 4.26Å; I32-I51 HydrophobicContact CB-CG2 3.98Å; I32-I51 HydrophobicContact CG2-CD1 3.7Å; I32-I51 HydrophobicContact CG2-CG1 4.02Å; I32-R53 HydrophobicContact CD1-CB 4.26Å; I32-R53 HydrophobicContact CD1-CG 3.74Å; I32-R53 HydrophobicContact CG1-CG 4.36Å; I32-R53 HydrophobicContact CG2-CB 4.49Å; I32-L60 HydrophobicContact CG2-CD1 3.56Å
33	S	94.1	Very high	94.2	Very high	18 Å²	18	73.5 Å²	73.5	13%	0.126	37%	0.374	C	S	.	.			trans	-63.9	162.4	176.7	61.1	0	0	0	0	112	G35 G36 S37 Y38 R53	S33-G35 VanDerWaalsContact C-N 3.27Å; S33-G35 PolarHBondContact O-N 2.73Å; S33-G36 PolarHBondContact O-N 2.9Å; S33-G36 PolarHBondContact OG-N 2.72Å; S33-S37 PolarHBondContact OG-N 2.85Å; S33-S37 PolarHBondContact OG-OG 3.29Å; S33-Y38 PolarHBondContact N-O 3.43Å; S33-Y38 PolarHBondContact OG-N 2.82Å; S33-Y38 VanDerWaalsContact OG-N 3.08Å; S33-R53 WeakPolarHBondContact O-CD 3.38Å; S33-R53 PolarHBondContact O-NH1 3.02Å
34	D	91.6	Very high	94.2	Very high	79 Å²	79	70 Å²	70	42%	0.422	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-42	175.8	65	-52.1	0	0	0	113.4	S11 Y13 R53 N55	S11-D34 WeakPolarHBondContact O-CB 3.21Å; Y13-D34 VanDerWaalsContact O-CA 3.3Å; Y13-D34 WeakPolarHBondContact O-CA 3.39Å; D34-R53 PolarHBondContact O-NE 2.84Å; D34-R53 PolarHBondContact O-NH1 2.84Å; D34-R53 VanDerWaalsContact O-NH1 3.17Å; D34-R53 PolarHBondContact O-NH2 2.94Å; D34-N55 PolarHBondContact O-ND2 3Å
35	G	88.4	Confident	94.5	Very high	53 Å²	53	62.2 Å²	62.2	55%	0.546	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-9.1	174.8	0	0	0	0	0	115.3	S33 S37	S33-G35 VanDerWaalsContact C-N 3.27Å; S33-G35 PolarHBondContact O-N 2.73Å; G35-S37 PolarHBondContact O-N 2.91Å
36	G	92.9	Very high	94.6	Very high	30 Å²	30	61 Å²	61	31%	0.309	33%	0.325	S	S	.	.	S	Bend	trans	76.6	4.9	-175.9	0	0	0	0	0	115.5	S33 Y38	S33-G36 PolarHBondContact O-N 2.9Å; S33-G36 PolarHBondContact OG-N 2.72Å; G36-Y38 VanDerWaalsContact C-N 3.32Å; G36-Y38 PolarHBondContact O-N 3.08Å
37	S	92.8	Very high	94.7	Very high	115 Å²	115	59.9 Å²	59.9	80%	0.804	34%	0.338	S	S	*	.	S	Bend	trans	-73.1	-22.2	-178.8	55.7	0	0	0	0	114	S33 G35	S33-S37 PolarHBondContact OG-N 2.85Å; S33-S37 PolarHBondContact OG-OG 3.29Å; G35-S37 PolarHBondContact O-N 2.91Å
38	Y	94.6	Very high	94.8	Very high	120 Å²	120	59.9 Å²	59.9	47%	0.471	34%	0.336	S	S	.	.			trans	-128.5	134.1	-178	177.8	-94.6	0	0	0	110.3	I32 S33 G36	I32-Y38 WeakPolarHBondContact CA-O 3.43Å; S33-Y38 PolarHBondContact N-O 3.43Å; S33-Y38 PolarHBondContact OG-N 2.82Å; S33-Y38 VanDerWaalsContact OG-N 3.08Å; G36-Y38 VanDerWaalsContact C-N 3.32Å; G36-Y38 PolarHBondContact O-N 3.08Å
39	T	96.7	Very high	95	Very high	59 Å²	59	54.3 Å²	54.3	36%	0.362	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	139	173	58.8	0	0	0	0	110.9	T31 I32 I51	T31-T39 CarbonylContact O-C 3.53Å; T31-T39 WeakPolarHBondContact O-CA 3.29Å; I32-T39 HydrophobicContact CB-CG2 4.24Å; I32-T39 HydrophobicContact CD1-CG2 3.98Å; I32-T39 HydrophobicContact CG1-CG2 3.92Å; T39-I51 HydrophobicContact CG2-CG2 3.8Å
40	Y	95.7	Very high	95.1	Very high	112 Å²	112	57.7 Å²	57.7	44%	0.439	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	141	173.3	173.1	-98.9	0	0	0	110.7	A30 T31 P42	A30-Y40 CarbonylContact C-O 3.59Å; A30-Y40 VanDerWaalsContact CA-O 3.3Å; A30-Y40 WeakPolarHBondContact CA-O 3.48Å; T31-Y40 PolarHBondContact N-O 2.76Å; T31-Y40 PolarHBondContact O-N 2.97Å; Y40-P42 HydrophobicContact CE1-CG 3.97Å
41	Y	97	Very high	95.1	Very high	41 Å²	41	57.9 Å²	57.9	16%	0.161	34%	0.337	C	S	.	.			trans	-137.7	132.5	175.2	-57.1	-87.5	0	0	0	109.2	A30 F49 T50 I51	A30-Y41 HydrophobicContact CB-CD1 3.66Å; A30-Y41 HydrophobicContact CB-CE1 3.68Å; Y41-F49 WeakPolarHBondContact CE1-O 3.31Å; Y41-T50 WeakPolarHBondContact OH-CA 3.45Å; Y41-I51 HydrophobicContact CE1-CB 4.32Å; Y41-I51 HydrophobicContact CE1-CG2 4Å; Y41-I51 WeakPolarHBondContact OH-CG2 3.35Å; Y41-I51 PolarHBondContact OH-N 3.26Å
42	P	95.6	Very high	95.3	Very high	21 Å²	21	59.5 Å²	59.5	14%	0.136	35%	0.349	C	S	.	.			trans	-67.8	155.2	167.5	-17.4	31.8	0	0	0	111.8	W28 V29 Y40 N44 V45 K46	W28-P42 HydrophobicContact CB-CG 4.23Å; W28-P42 WeakPolarHBondContact O-CG 3.49Å; V29-P42 WeakPolarHBondContact O-CD 3.5Å; Y40-P42 HydrophobicContact CE1-CG 3.97Å; P42-N44 VanDerWaalsContact C-N 3.25Å; P42-N44 WeakPolarHBondContact CB-OD1 3.14Å; P42-N44 PolarHBondContact O-N 2.96Å; P42-V45 WeakPolarHBondContact O-CG2 3.33Å; P42-V45 PolarHBondContact O-N 2.87Å; P42-V45 VanDerWaalsContact O-N 3.15Å; P42-K46 WeakPolarHBondContact O-CB 3.24Å; P42-K46 PolarHBondContact O-N 2.81Å
43	D	95.1	Very high	95.3	Very high	142 Å²	142	60.9 Å²	60.9	76%	0.759	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-29.1	-171.3	-66.9	-34.4	0	0	0	114	V45	D43-V45 PolarHBondContact O-N 2.74Å
44	N	92.9	Very high	95.5	Very high	76 Å²	76	62 Å²	62	41%	0.406	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.4	179.8	64.7	-14.4	0	0	0	114.2	R19 P42 R48	R19-N44 PolarHBondContact NH2-ND2 2.82Å; P42-N44 VanDerWaalsContact C-N 3.25Å; P42-N44 WeakPolarHBondContact CB-OD1 3.14Å; P42-N44 PolarHBondContact O-N 2.96Å; N44-R48 PolarHBondContact O-NE 2.81Å; N44-R48 PolarHBondContact O-NH2 2.98Å
45	V	96	Very high	95.7	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.006	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-10.5	-178.5	-63	0	0	0	0	113.2	V29 P42 D43 G47 R48 F49	V29-V45 VanDerWaalsContact O-CG2 3.24Å; V29-V45 WeakPolarHBondContact O-CG2 3.41Å; P42-V45 WeakPolarHBondContact O-CG2 3.33Å; P42-V45 PolarHBondContact O-N 2.87Å; P42-V45 VanDerWaalsContact O-N 3.15Å; D43-V45 PolarHBondContact O-N 2.74Å; V45-G47 PolarHBondContact O-N 3.07Å; V45-R48 WeakPolarHBondContact O-CB 3.34Å; V45-R48 PolarHBondContact O-N 3.44Å; V45-F49 HydrophobicContact CB-CB 4.43Å; V45-F49 HydrophobicContact CB-CD2 3.61Å; V45-F49 HydrophobicContact CB-CE2 3.99Å; V45-F49 HydrophobicContact CB-CG 4.07Å; V45-F49 HydrophobicContact CG1-CD2 3.64Å; V45-F49 HydrophobicContact CG1-CE2 3.48Å; V45-F49 VanDerWaalsContact CG1-CE2 3.48Å; V45-F49 HydrophobicContact CG1-CG 4.47Å; V45-F49 HydrophobicContact CG1-CZ 4.21Å; V45-F49 HydrophobicContact CG2-CD2 4.36Å; V45-F49 PolarHBondContact O-N 3.27Å; V45-F49 VanDerWaalsContact O-N 3.08Å
46	K	94.9	Very high	96.1	Very high	136 Å²	136	63.1 Å²	63.1	59%	0.591	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	131.8	178.5	-166.8	173.3	-175	177.8	0	110.9	P42 R48	P42-K46 WeakPolarHBondContact O-CB 3.24Å; P42-K46 PolarHBondContact O-N 2.81Å; K46-R48 PolarHBondContact O-N 2.86Å
47	G	95.9	Very high	96.2	Very high	76 Å²	76	68.2 Å²	68.2	78%	0.784	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	-6.1	-177.2	0	0	0	0	0	115.2	V45	V45-G47 PolarHBondContact O-N 3.07Å
48	R	97.7	Very high	96.4	Very high	30 Å²	30	65.8 Å²	65.8	11%	0.113	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-40.7	175.2	-60.6	-167.3	-56.3	114.5	-0.9	111.7	N44 V45 K46 S65 H66 D71	N44-R48 PolarHBondContact O-NE 2.81Å; N44-R48 PolarHBondContact O-NH2 2.98Å; V45-R48 WeakPolarHBondContact O-CB 3.34Å; V45-R48 PolarHBondContact O-N 3.44Å; K46-R48 PolarHBondContact O-N 2.86Å; R48-S65 WeakPolarHBondContact CB-O 3.45Å; R48-S65 WeakPolarHBondContact O-CA 3.16Å; R48-S65 WeakPolarHBondContact O-CB 3.29Å; R48-S65 PolarHBondContact O-N 3.39Å; R48-H66 HydrophobicContact CG-CB 4.49Å; R48-H66 PolarHBondContact NH1-O 3.34Å; R48-D71 IonicContact CZ-OD1 2.92Å; R48-D71 IonicContact CZ-OD2 3.31Å; R48-D71 IonicContact NH1-OD1 3.75Å; R48-D71 IonicContact NH1-OD2 2.67Å; R48-D71 PolarHBondContact NH1-OD2 2.93Å; R48-D71 IonicContact NH2-OD1 3.07Å; R48-D71 PolarHBondContact NH2-OD1 2.94Å; R48-D71 IonicContact NH2-OD2 3.8Å; R48-D71 PolarHBondContact NH2-OD2 3.13Å
49	F	98.1	Very high	96.6	Very high	3 Å²	3	61.7 Å²	61.7	1%	0.013	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	151.2	-177.6	-60.7	-5.4	0	0	0	111.3	V29 Y41 V45 L62 Q63 M64 L67 D71	V29-F49 HydrophobicContact CG1-CD2 3.57Å; V29-F49 HydrophobicContact CG1-CE2 3.97Å; Y41-F49 WeakPolarHBondContact CE1-O 3.31Å; V45-F49 HydrophobicContact CB-CB 4.43Å; V45-F49 HydrophobicContact CB-CD2 3.61Å; V45-F49 HydrophobicContact CB-CE2 3.99Å; V45-F49 HydrophobicContact CB-CG 4.07Å; V45-F49 HydrophobicContact CG1-CD2 3.64Å; V45-F49 HydrophobicContact CG1-CE2 3.48Å; V45-F49 VanDerWaalsContact CG1-CE2 3.48Å; V45-F49 HydrophobicContact CG1-CG 4.47Å; V45-F49 HydrophobicContact CG1-CZ 4.21Å; V45-F49 HydrophobicContact CG2-CD2 4.36Å; V45-F49 PolarHBondContact O-N 3.27Å; V45-F49 VanDerWaalsContact O-N 3.08Å; F49-L62 HydrophobicContact CB-CD1 4.16Å; F49-Q63 CarbonylContact C-O 3.59Å; F49-Q63 VanDerWaalsContact CA-O 3.25Å; F49-Q63 WeakPolarHBondContact CA-O 3.34Å; F49-M64 HydrophobicContact CD1-CB 3.71Å; F49-M64 HydrophobicContact CD1-CG 3.86Å; F49-M64 HydrophobicContact CD2-CG 4.23Å; F49-M64 HydrophobicContact CE1-CB 3.67Å; F49-M64 HydrophobicContact CE1-CG 3.93Å; F49-M64 HydrophobicContact CE2-CG 4.28Å; F49-M64 HydrophobicContact CE2-SD 4.37Å; F49-M64 HydrophobicContact CG-CB 4.39Å; F49-M64 HydrophobicContact CG-CG 4.04Å; F49-M64 HydrophobicContact CZ-CB 4.28Å; F49-M64 HydrophobicContact CZ-CG 4.14Å; F49-M64 HydrophobicContact CZ-SD 4.29Å; F49-L67 HydrophobicContact CE1-CD2 3.86Å; F49-L67 HydrophobicContact CZ-CD2 3.87Å; F49-D71 HydrophobicContact CZ-CB 4.27Å
50	T	98.3	Very high	96.6	Very high	70 Å²	70	58.9 Å²	58.9	43%	0.429	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	118.2	179	-55.4	0	0	0	0	109.4	Y41 L62 Q63	Y41-T50 WeakPolarHBondContact OH-CA 3.45Å; T50-L62 WeakPolarHBondContact O-CA 3.45Å; T50-Q63 PolarHBondContact N-O 3.49Å; T50-Q63 PolarHBondContact O-N 3Å
51	I	98.4	Very high	96.8	Very high	6 Å²	6	56.9 Å²	56.9	3%	0.031	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	140.1	173.5	-164.9	170.9	0	0	0	109.5	A30 I32 T39 Y41 L60 Y61 L62	A30-I51 HydrophobicContact CB-CB 3.78Å; A30-I51 HydrophobicContact CB-CD1 3.91Å; A30-I51 HydrophobicContact CB-CG1 4.38Å; A30-I51 HydrophobicContact CB-CG2 4Å; I32-I51 HydrophobicContact CB-CD1 4.01Å; I32-I51 HydrophobicContact CB-CG1 4.26Å; I32-I51 HydrophobicContact CB-CG2 3.98Å; I32-I51 HydrophobicContact CG2-CD1 3.7Å; I32-I51 HydrophobicContact CG2-CG1 4.02Å; T39-I51 HydrophobicContact CG2-CG2 3.8Å; Y41-I51 HydrophobicContact CE1-CB 4.32Å; Y41-I51 HydrophobicContact CE1-CG2 4Å; Y41-I51 WeakPolarHBondContact OH-CG2 3.35Å; Y41-I51 PolarHBondContact OH-N 3.26Å; I51-L60 HydrophobicContact CD1-CD1 3.95Å; I51-L60 HydrophobicContact CG1-CD1 3.94Å; I51-Y61 WeakPolarHBondContact CA-O 3.36Å; I51-Y61 WeakPolarHBondContact CG1-O 3.4Å; I51-L62 HydrophobicContact CB-CD1 4.35Å
52	S	98.2	Very high	96.8	Very high	55 Å²	55	55 Å²	55	39%	0.385	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	161.8	172.5	65.1	0	0	0	0	110.4	Y61	S52-Y61 PolarHBondContact N-O 3.41Å; S52-Y61 PolarHBondContact O-N 2.86Å
53	R	97.8	Very high	97	Very high	35 Å²	35	60 Å²	60	13%	0.132	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	150.8	-178.6	67.1	-177.2	-68.8	151.8	2.3	111.3	F10 Y13 I32 S33 D34 N55 N59 L60	F10-R53 HydrophobicContact CE1-CB 4.22Å; F10-R53 HydrophobicContact CZ-CB 4.16Å; F10-R53 PolarHBondContact O-NH2 2.8Å; Y13-R53 PolarHBondContact O-NH1 3.03Å; I32-R53 HydrophobicContact CD1-CB 4.26Å; I32-R53 HydrophobicContact CD1-CG 3.74Å; I32-R53 HydrophobicContact CG1-CG 4.36Å; I32-R53 HydrophobicContact CG2-CB 4.49Å; S33-R53 WeakPolarHBondContact O-CD 3.38Å; S33-R53 PolarHBondContact O-NH1 3.02Å; D34-R53 PolarHBondContact O-NE 2.84Å; D34-R53 PolarHBondContact O-NH1 2.84Å; D34-R53 VanDerWaalsContact O-NH1 3.17Å; D34-R53 PolarHBondContact O-NH2 2.94Å; R53-N55 PolarHBondContact NE-OD1 2.83Å; R53-N55 PolarHBondContact NH2-OD1 3.39Å; R53-N59 CarbonylContact C-O 3.6Å; R53-N59 WeakPolarHBondContact CA-O 3.3Å; R53-L60 HydrophobicContact CB-CD1 4.26Å
54	D	97.3	Very high	97.1	Very high	43 Å²	43	55 Å²	55	23%	0.23	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	105	171.3	-177.5	-19.4	0	0	0	108.4	A56 K57 N58 N59 Y61	D54-A56 VanDerWaalsContact C-N 3.33Å; D54-A56 WeakPolarHBondContact OD1-CB 3.38Å; D54-A56 PolarHBondContact OD1-N 2.8Å; D54-K57 HydrophobicContact CB-CB 4.33Å; D54-K57 PolarHBondContact O-N 3.01Å; D54-K57 PolarHBondContact OD1-N 2.91Å; D54-K57 VanDerWaalsContact OD1-N 3.15Å; D54-K57 WeakPolarHBondContact OD2-CD 3.41Å; D54-K57 VanDerWaalsContact OD2-CE 3.29Å; D54-K57 WeakPolarHBondContact OD2-CE 3.5Å; D54-K57 WeakPolarHBondContact OD2-CG 3.44Å; D54-K57 IonicContact OD2-NZ 3.43Å; D54-N58 PolarHBondContact O-N 2.81Å; D54-N59 PolarHBondContact N-O 3.15Å; D54-N59 PolarHBondContact O-N 3.32Å; D54-Y61 HydrophobicContact CB-CE2 4Å
55	N	96.1	Very high	97.3	Very high	59 Å²	59	53.5 Å²	53.5	32%	0.316	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-27.6	-178.3	-77	-11.4	0	0	0	113.1	F10 D34 R53 K57 N58	F10-N55 WeakPolarHBondContact CD1-OD1 3.42Å; F10-N55 VanDerWaalsContact CE1-OD1 3.32Å; F10-N55 WeakPolarHBondContact CE1-OD1 3.18Å; D34-N55 PolarHBondContact O-ND2 3Å; R53-N55 PolarHBondContact NE-OD1 2.83Å; R53-N55 PolarHBondContact NH2-OD1 3.39Å; N55-K57 VanDerWaalsContact C-N 3.28Å; N55-K57 PolarHBondContact O-N 2.87Å; N55-N58 PolarHBondContact O-OD1 3.31Å
56	A	95.6	Very high	97.2	Very high	95 Å²	95	60.8 Å²	60.8	79%	0.785	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-28.1	177.9	0	0	0	0	0	111.4	D54	D54-A56 VanDerWaalsContact C-N 3.33Å; D54-A56 WeakPolarHBondContact OD1-CB 3.38Å; D54-A56 PolarHBondContact OD1-N 2.8Å
57	K	96.6	Very high	97.3	Very high	137 Å²	137	57.6 Å²	57.6	60%	0.596	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-0.8	-179.7	-59.8	-176.3	-166	161.2	0	114.3	D54 N55 N59	D54-K57 HydrophobicContact CB-CB 4.33Å; D54-K57 PolarHBondContact O-N 3.01Å; D54-K57 PolarHBondContact OD1-N 2.91Å; D54-K57 VanDerWaalsContact OD1-N 3.15Å; D54-K57 WeakPolarHBondContact OD2-CD 3.41Å; D54-K57 VanDerWaalsContact OD2-CE 3.29Å; D54-K57 WeakPolarHBondContact OD2-CE 3.5Å; D54-K57 WeakPolarHBondContact OD2-CG 3.44Å; D54-K57 IonicContact OD2-NZ 3.43Å; N55-K57 VanDerWaalsContact C-N 3.28Å; N55-K57 PolarHBondContact O-N 2.87Å; K57-N59 HydrophobicContact CB-CB 4.38Å; K57-N59 PolarHBondContact O-N 2.03Å; K57-N59 PolarHBondContact O-OD1 3.29Å
58	N	96.5	Very high	97.3	Very high	65 Å²	65	59 Å²	59	35%	0.348	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	36.3	-172.3	-57.9	-35.4	0	0	0	113.3	A5 F10 D54 N55	A5-N58 HydrophobicContact CB-CB 4.46Å; A5-N58 PolarHBondContact N-O 3.05Å; F10-N58 HydrophobicContact CB-CB 3.92Å; F10-N58 WeakPolarHBondContact CB-OD1 3.02Å; F10-N58 HydrophobicContact CD1-CB 4.36Å; F10-N58 HydrophobicContact CG-CB 4.08Å; D54-N58 PolarHBondContact O-N 2.81Å; N55-N58 PolarHBondContact O-OD1 3.31Å
59	N	97.5	Very high	97.1	Very high	34 Å²	34	61.2 Å²	61.2	18%	0.182	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	137.1	-176	-75.3	-12.2	0	0	0	112.1	C3 A4 F10 R53 D54 K57 Y61	C3-N59 CarbonylContact O-C 3.53Å; C3-N59 WeakPolarHBondContact O-CA 3.34Å; A4-N59 VanDerWaalsContact CA-OD1 3.31Å; A4-N59 WeakPolarHBondContact CA-OD1 3.24Å; A4-N59 WeakPolarHBondContact CB-OD1 3.15Å; F10-N59 WeakPolarHBondContact CZ-O 3.38Å; R53-N59 CarbonylContact C-O 3.6Å; R53-N59 WeakPolarHBondContact CA-O 3.3Å; D54-N59 PolarHBondContact N-O 3.15Å; D54-N59 PolarHBondContact O-N 3.32Å; K57-N59 HydrophobicContact CB-CB 4.38Å; K57-N59 PolarHBondContact O-N 2.03Å; K57-N59 PolarHBondContact O-OD1 3.29Å; N59-Y61 HydrophobicContact CB-CE1 4.13Å; N59-Y61 HydrophobicContact CB-CE2 3.68Å; N59-Y61 VanDerWaalsContact CB-CZ 3.42Å; N59-Y61 VanDerWaalsContact CB-OH 3.24Å; N59-Y61 WeakPolarHBondContact CB-OH 3.48Å; N59-Y61 PolarHBondContact ND2-OH 3.15Å
60	L	98.3	Very high	96.9	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139	168.2	-173.2	71.1	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 3.31Å; S2-L60 WeakPolarHBondContact CA-O 3.33Å; C3-L60 HydrophobicContact CB-CB 4.32Å; C3-L60 PolarHBondContact N-O 2.85Å; C3-L60 PolarHBondContact O-N 3.17Å; F10-L60 HydrophobicContact CE2-CB 4.38Å; F10-L60 HydrophobicContact CZ-CB 4.31Å; M15-L60 HydrophobicContact CB-CD1 3.55Å; M15-L60 HydrophobicContact CB-CD2 3.86Å; M15-L60 HydrophobicContact CB-CG 4.23Å; M15-L60 HydrophobicContact CE-CD2 4.16Å; M15-L60 HydrophobicContact CG-CD1 4.35Å; W17-L60 HydrophobicContact CG-CD2 4.43Å; W17-L60 HydrophobicContact CZ2-CD2 4.45Å; W17-L60 VanDerWaalsContact NE1-CD2 3.3Å; I32-L60 HydrophobicContact CG2-CD1 3.56Å; I51-L60 HydrophobicContact CD1-CD1 3.95Å; I51-L60 HydrophobicContact CG1-CD1 3.94Å; R53-L60 HydrophobicContact CB-CD1 4.26Å; L60-C77 HydrophobicContact CD2-CB 4.08Å
61	Y	98.5	Very high	96.8	Very high	69 Å²	69	64.9 Å²	64.9	27%	0.271	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.1	178.7	-51	-83	0	0	0	111.2	L1 I51 S52 D54 N59	L1-Y61 CarbonylContact O-C 3.44Å; L1-Y61 WeakPolarHBondContact O-CA 3.46Å; I51-Y61 WeakPolarHBondContact CA-O 3.36Å; I51-Y61 WeakPolarHBondContact CG1-O 3.4Å; S52-Y61 PolarHBondContact N-O 3.41Å; S52-Y61 PolarHBondContact O-N 2.86Å; D54-Y61 HydrophobicContact CB-CE2 4Å; N59-Y61 HydrophobicContact CB-CE1 4.13Å; N59-Y61 HydrophobicContact CB-CE2 3.68Å; N59-Y61 VanDerWaalsContact CB-CZ 3.42Å; N59-Y61 VanDerWaalsContact CB-OH 3.24Å; N59-Y61 WeakPolarHBondContact CB-OH 3.48Å; N59-Y61 PolarHBondContact ND2-OH 3.15Å
62	L	98.6	Very high	96.8	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.005	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	107.4	168.8	-173.7	70.6	0	0	0	108.5	L1 W17 V29 A30 F49 T50 I51 M64 Y75	L1-L62 HydrophobicContact CB-CB 4.26Å; L1-L62 HydrophobicContact CD1-CD2 4.33Å; L1-L62 PolarHBondContact N-O 2.93Å; L1-L62 PolarHBondContact O-N 2.98Å; W17-L62 HydrophobicContact CB-CD2 4.19Å; W17-L62 HydrophobicContact CD2-CB 4.15Å; W17-L62 HydrophobicContact CD2-CD2 4.27Å; W17-L62 HydrophobicContact CG-CB 4.09Å; W17-L62 HydrophobicContact CG-CD1 4.46Å; W17-L62 HydrophobicContact CG-CD2 3.99Å; W17-L62 HydrophobicContact CG-CG 4.42Å; W17-L62 HydrophobicContact CZ2-CB 4.45Å; V29-L62 HydrophobicContact CG1-CD1 4.42Å; V29-L62 HydrophobicContact CG1-CD2 3.87Å; A30-L62 HydrophobicContact CB-CD1 4.12Å; F49-L62 HydrophobicContact CB-CD1 4.16Å; T50-L62 WeakPolarHBondContact O-CA 3.45Å; I51-L62 HydrophobicContact CB-CD1 4.35Å; L62-M64 HydrophobicContact CD2-CG 3.9Å; L62-M64 HydrophobicContact CD2-SD 3.92Å; L62-M64 HydrophobicContact CG-CG 3.92Å; L62-Y75 HydrophobicContact CD2-CD1 4.22Å; L62-Y75 HydrophobicContact CD2-CE1 4.27Å
63	Q	98.4	Very high	96.7	Very high	126 Å²	126	64 Å²	64	59%	0.589	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	129.9	167	-177.5	171.5	-12.6	0	0	108.5	F49 T50	F49-Q63 CarbonylContact C-O 3.59Å; F49-Q63 VanDerWaalsContact CA-O 3.25Å; F49-Q63 WeakPolarHBondContact CA-O 3.34Å; T50-Q63 PolarHBondContact N-O 3.49Å; T50-Q63 PolarHBondContact O-N 3Å
64	M	97.6	Very high	96.8	Very high	39 Å²	39	65.5 Å²	65.5	19%	0.192	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	113.7	179.9	-60.3	179.2	-58.2	0	0	108.5	L1 F49 L62 L67 Y75 V96	L1-M64 HydrophobicContact CD1-CE 4.15Å; L1-M64 HydrophobicContact CD1-SD 4.27Å; L1-M64 HydrophobicContact CD2-CE 4Å; L1-M64 HydrophobicContact CG-CE 3.77Å; L1-M64 HydrophobicContact CG-SD 4.37Å; F49-M64 HydrophobicContact CD1-CB 3.71Å; F49-M64 HydrophobicContact CD1-CG 3.86Å; F49-M64 HydrophobicContact CD2-CG 4.23Å; F49-M64 HydrophobicContact CE1-CB 3.67Å; F49-M64 HydrophobicContact CE1-CG 3.93Å; F49-M64 HydrophobicContact CE2-CG 4.28Å; F49-M64 HydrophobicContact CE2-SD 4.37Å; F49-M64 HydrophobicContact CG-CB 4.39Å; F49-M64 HydrophobicContact CG-CG 4.04Å; F49-M64 HydrophobicContact CZ-CB 4.28Å; F49-M64 HydrophobicContact CZ-CG 4.14Å; F49-M64 HydrophobicContact CZ-SD 4.29Å; L62-M64 HydrophobicContact CD2-CG 3.9Å; L62-M64 HydrophobicContact CD2-SD 3.92Å; L62-M64 HydrophobicContact CG-CG 3.92Å; M64-L67 HydrophobicContact CB-CD1 4.46Å; M64-L67 HydrophobicContact CB-CD2 3.94Å; M64-L67 HydrophobicContact CB-CG 4.22Å; M64-L67 HydrophobicContact SD-CD2 4.28Å; M64-Y75 HydrophobicContact SD-CE1 4.03Å; M64-V96 HydrophobicContact CE-CG1 4.2Å; M64-V96 HydrophobicContact CE-CG2 4.14Å
65	S	96.4	Very high	96.8	Very high	43 Å²	43	63.5 Å²	63.5	30%	0.301	33%	0.332	S	S	.	.			trans	-111.6	154.5	177	-55.6	0	0	0	0	109.6	R48 L67	R48-S65 WeakPolarHBondContact CB-O 3.45Å; R48-S65 WeakPolarHBondContact O-CA 3.16Å; R48-S65 WeakPolarHBondContact O-CB 3.29Å; R48-S65 PolarHBondContact O-N 3.39Å; S65-L67 VanDerWaalsContact C-N 3.34Å; S65-L67 PolarHBondContact O-N 2.74Å
66	H	94.9	Very high	96.9	Very high	155 Å²	155	62.7 Å²	62.7	72%	0.718	32%	0.324	S	S	*	.	S	Bend	trans	50.3	51.9	179	-51.7	147.7	0	0	0	112.8	R48	R48-H66 HydrophobicContact CG-CB 4.49Å; R48-H66 PolarHBondContact NH1-O 3.34Å
67	L	96.1	Very high	97	Very high	69 Å²	69	58.8 Å²	58.8	36%	0.361	29%	0.291	S	S	.	.			trans	-61.6	142.6	177	-78	167.5	0	0	0	110.9	F49 M64 S65 D71 V98	F49-L67 HydrophobicContact CE1-CD2 3.86Å; F49-L67 HydrophobicContact CZ-CD2 3.87Å; M64-L67 HydrophobicContact CB-CD1 4.46Å; M64-L67 HydrophobicContact CB-CD2 3.94Å; M64-L67 HydrophobicContact CB-CG 4.22Å; M64-L67 HydrophobicContact SD-CD2 4.28Å; S65-L67 VanDerWaalsContact C-N 3.34Å; S65-L67 PolarHBondContact O-N 2.74Å; L67-D71 HydrophobicContact CD2-CB 3.78Å; L67-V98 HydrophobicContact CB-CG1 4.16Å; L67-V98 HydrophobicContact CB-CG2 4.01Å; L67-V98 HydrophobicContact CD1-CG2 4.17Å; L67-V98 HydrophobicContact CD2-CG2 4.28Å; L67-V98 HydrophobicContact CG-CG2 4.39Å
68	K	95.4	Very high	96.9	Very high	106 Å²	106	52.3 Å²	52.3	46%	0.461	26%	0.263	S	S	.	.			trans	-117.1	162.1	175	-59.4	179.8	-178.6	-178.4	0	109.6	E70 D71 V98	K68-E70 PolarHBondContact O-N 2.89Å; K68-D71 PolarHBondContact N-OD2 3.27Å; K68-D71 WeakPolarHBondContact O-CB 3.14Å; K68-D71 PolarHBondContact O-N 3.02Å; K68-V98 WeakPolarHBondContact O-CB 3.36Å
69	S	94.9	Very high	96.7	Very high	76 Å²	76	49.3 Å²	49.3	53%	0.531	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-55	-36.3	174.6	51.5	0	0	0	0	112.5	D71 T72	S69-D71 PolarHBondContact O-N 2.8Å; S69-D71 VanDerWaalsContact O-N 3.16Å; S69-T72 VanDerWaalsContact O-CB 3.27Å; S69-T72 WeakPolarHBondContact O-CB 3.48Å; S69-T72 PolarHBondContact O-N 2.93Å; S69-T72 PolarHBondContact O-OG1 3.47Å
70	E	93.8	Very high	95.9	Very high	147 Å²	147	48 Å²	48	69%	0.687	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-61.4	-15.5	174.3	-62.9	168.6	-158.3	0	0	114.3	K68 T72	K68-E70 PolarHBondContact O-N 2.89Å; E70-T72 VanDerWaalsContact C-N 3.29Å
71	D	96.2	Very high	94.5	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-86.2	-0	174.9	-58.8	-51.7	0	0	0	112.9	R19 R48 F49 L67 K68 S69 A73 Y75	R19-D71 IonicContact NH1-OD1 3.42Å; R19-D71 PolarHBondContact NH1-OD1 2.9Å; R48-D71 IonicContact CZ-OD1 2.92Å; R48-D71 IonicContact CZ-OD2 3.31Å; R48-D71 IonicContact NH1-OD1 3.75Å; R48-D71 IonicContact NH1-OD2 2.67Å; R48-D71 PolarHBondContact NH1-OD2 2.93Å; R48-D71 IonicContact NH2-OD1 3.07Å; R48-D71 PolarHBondContact NH2-OD1 2.94Å; R48-D71 IonicContact NH2-OD2 3.8Å; R48-D71 PolarHBondContact NH2-OD2 3.13Å; F49-D71 HydrophobicContact CZ-CB 4.27Å; L67-D71 HydrophobicContact CD2-CB 3.78Å; K68-D71 PolarHBondContact N-OD2 3.27Å; K68-D71 WeakPolarHBondContact O-CB 3.14Å; K68-D71 PolarHBondContact O-N 3.02Å; S69-D71 PolarHBondContact O-N 2.8Å; S69-D71 VanDerWaalsContact O-N 3.16Å; D71-A73 PolarHBondContact O-N 2.82Å; D71-A73 VanDerWaalsContact O-N 3.17Å; D71-Y75 WeakPolarHBondContact O-CE2 3.45Å; D71-Y75 PolarHBondContact O-OH 3.2Å
72	T	97.2	Very high	92.6	Very high	36 Å²	36	55.1 Å²	55.1	22%	0.221	27%	0.273	C	S	.	.			trans	-65	114	172.9	-64.7	0	0	0	0	110.1	P22 S69 E70 V96 T97 V98	P22-T72 WeakPolarHBondContact CD-O 3.32Å; S69-T72 VanDerWaalsContact O-CB 3.27Å; S69-T72 WeakPolarHBondContact O-CB 3.48Å; S69-T72 PolarHBondContact O-N 2.93Å; S69-T72 PolarHBondContact O-OG1 3.47Å; E70-T72 VanDerWaalsContact C-N 3.29Å; T72-V96 WeakPolarHBondContact CA-O 3.28Å; T72-T97 HydrophobicContact CG2-CG2 4.24Å; T72-V98 PolarHBondContact OG1-N 2.94Å; T72-V98 PolarHBondContact OG1-O 3.05Å
73	A	97.8	Very high	90.7	Very high	6 Å²	6	64 Å²	64	5%	0.05	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	170.5	-175.9	0	0	0	0	0	111.6	R19 Q20 D71 Y75 V96	R19-A73 HydrophobicContact CB-CB 3.84Å; R19-A73 HydrophobicContact CG-CB 4.17Å; Q20-A73 WeakPolarHBondContact O-CA 3.41Å; Q20-A73 VanDerWaalsContact O-CB 3.28Å; Q20-A73 WeakPolarHBondContact O-CB 3.43Å; D71-A73 PolarHBondContact O-N 2.82Å; D71-A73 VanDerWaalsContact O-N 3.17Å; A73-Y75 HydrophobicContact CB-CD2 4.2Å; A73-Y75 HydrophobicContact CB-CE2 3.76Å; A73-Y75 WeakPolarHBondContact O-CD2 3.38Å; A73-V96 PolarHBondContact N-O 2.85Å; A73-V96 PolarHBondContact O-N 3.04Å
74	M	98.3	Very high	88.7	Confident	67 Å²	67	66.3 Å²	66.3	33%	0.33	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	123.4	163.6	-168.4	66.6	67.4	0	0	109.1	R19 Q20 Y76 S95	R19-M74 CarbonylContact C-O 3.42Å; R19-M74 WeakPolarHBondContact CA-O 3.37Å; Q20-M74 HydrophobicContact CB-CB 4.42Å; Q20-M74 PolarHBondContact N-O 3.34Å; Q20-M74 PolarHBondContact O-N 2.73Å; M74-Y76 HydrophobicContact CB-CE2 3.82Å; M74-Y76 HydrophobicContact CG-CD2 4.5Å; M74-Y76 HydrophobicContact CG-CE1 4.04Å; M74-Y76 HydrophobicContact CG-CE2 3.62Å; M74-Y76 WeakPolarHBondContact CG-OH 3.23Å; M74-Y76 WeakPolarHBondContact O-CD2 3.39Å; M74-Y76 WeakPolarHBondContact O-CE2 3.39Å; M74-S95 PolarHBondContact SD-N 3.06Å
75	Y	98.4	Very high	86.9	Confident	1 Å²	1	74.9 Å²	74.9	0%	0.004	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.1	-176.5	-76.4	-105.2	0	0	0	111.1	L1 V18 R19 V29 L62 M64 D71 A73 G93 T94 V96	L1-Y75 VanDerWaalsContact CD1-CB 3.47Å; L1-Y75 HydrophobicContact CD1-CD1 3.84Å; L1-Y75 HydrophobicContact CD1-CD2 4.43Å; L1-Y75 HydrophobicContact CD1-CG 3.67Å; V18-Y75 CarbonylContact O-C 3.56Å; R19-Y75 HydrophobicContact CB-CD1 3.97Å; R19-Y75 HydrophobicContact CB-CD2 4.33Å; R19-Y75 HydrophobicContact CB-CE1 3.96Å; R19-Y75 HydrophobicContact CB-CE2 4.3Å; R19-Y75 HydrophobicContact CB-CG 4.17Å; V29-Y75 HydrophobicContact CG1-CE1 4.24Å; V29-Y75 HydrophobicContact CG2-CD1 4.32Å; V29-Y75 HydrophobicContact CG2-CE1 4Å; L62-Y75 HydrophobicContact CD2-CD1 4.22Å; L62-Y75 HydrophobicContact CD2-CE1 4.27Å; M64-Y75 HydrophobicContact SD-CE1 4.03Å; D71-Y75 WeakPolarHBondContact O-CE2 3.45Å; D71-Y75 PolarHBondContact O-OH 3.2Å; A73-Y75 HydrophobicContact CB-CD2 4.2Å; A73-Y75 HydrophobicContact CB-CE2 3.76Å; A73-Y75 WeakPolarHBondContact O-CD2 3.38Å; Y75-G93 CarbonylContact O-C 3.54Å; Y75-G93 WeakPolarHBondContact O-CA 3.34Å; Y75-T94 PolarHBondContact N-O 3.36Å; Y75-T94 PolarHBondContact O-N 3.01Å; Y75-V96 HydrophobicContact CD2-CB 3.83Å; Y75-V96 HydrophobicContact CD2-CG2 3.57Å; Y75-V96 HydrophobicContact CE2-CB 3.75Å; Y75-V96 HydrophobicContact CE2-CG1 4.41Å; Y75-V96 HydrophobicContact CE2-CG2 3.91Å; Y75-V96 HydrophobicContact CG-CG2 4.3Å
76	Y	97.9	Very high	85.5	Confident	41 Å²	41	75 Å²	75	16%	0.161	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133.6	-179	-54.4	-91.9	0	0	0	109.5	W17 V18 Q20 M74 W90 G91	W17-Y76 WeakPolarHBondContact CA-O 3.5Å; W17-Y76 VanDerWaalsContact CE3-C 3.47Å; V18-Y76 PolarHBondContact N-O 2.95Å; V18-Y76 PolarHBondContact O-N 3.17Å; Q20-Y76 HydrophobicContact CB-CE2 3.74Å; Q20-Y76 PolarHBondContact OE1-OH 3.4Å; M74-Y76 HydrophobicContact CB-CE2 3.82Å; M74-Y76 HydrophobicContact CG-CD2 4.5Å; M74-Y76 HydrophobicContact CG-CE1 4.04Å; M74-Y76 HydrophobicContact CG-CE2 3.62Å; M74-Y76 WeakPolarHBondContact CG-OH 3.23Å; M74-Y76 WeakPolarHBondContact O-CD2 3.39Å; M74-Y76 WeakPolarHBondContact O-CE2 3.39Å; Y76-W90 HydrophobicContact CG-CE3 4.23Å; Y76-W90 HydrophobicContact CG-CZ3 4.36Å; Y76-G91 WeakPolarHBondContact CD1-O 3.3Å
77	C	96.7	Very high	84.7	Confident	13 Å²	13	69.4 Å²	69.4	9%	0.088	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	143.2	159.4	56.9	0	0	0	0	109	C3 S16 W17 L60 G91	C3-C77 HydrophobicContact CB-CB 3.39Å; C3-C77 WeakPolarHBondContact CB-SG 3.27Å; C3-C77 WeakPolarHBondContact SG-CB 3.35Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 2.95Å; S16-C77 CarbonylContact O-C 3.53Å; S16-C77 VanDerWaalsContact O-CA 3.29Å; S16-C77 WeakPolarHBondContact O-CA 3.44Å; W17-C77 HydrophobicContact CD2-CB 4.41Å; W17-C77 HydrophobicContact CE3-CB 4.28Å; W17-C77 HydrophobicContact CH2-CB 4.08Å; W17-C77 HydrophobicContact CZ2-CB 4.21Å; W17-C77 HydrophobicContact CZ3-CB 4.12Å; L60-C77 HydrophobicContact CD2-CB 4.08Å; C77-G91 PolarHBondContact O-N 3.21Å
78	A	95.2	Very high	83.9	Confident	2 Å²	2	70.5 Å²	70.5	2%	0.017	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	149.5	175.9	0	0	0	0	0	110.5	S16 M87 F89 W90	S16-A78 WeakPolarHBondContact CB-O 3.39Å; S16-A78 PolarHBondContact N-O 3.23Å; S16-A78 PolarHBondContact O-N 3.4Å; A78-M87 HydrophobicContact CB-CB 4.33Å; A78-M87 HydrophobicContact CB-CE 4.32Å; A78-M87 HydrophobicContact CB-CG 4.15Å; A78-M87 HydrophobicContact CB-SD 3.34Å; A78-M87 WeakPolarHBondContact CB-SD 3.09Å; A78-F89 CarbonylContact C-O 3.52Å; A78-F89 WeakPolarHBondContact CA-O 3.09Å; A78-F89 WeakPolarHBondContact CB-O 3.42Å; A78-W90 HydrophobicContact CB-CD2 3.89Å; A78-W90 HydrophobicContact CB-CE3 4.04Å; A78-W90 HydrophobicContact CB-CG 4.29Å; A78-W90 HydrophobicContact CB-CZ3 4.41Å
79	S	91.9	Very high	83.6	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.007	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	141.1	173.2	70.1	0	0	0	0	110.1	A14 M15 M87 D88 F89	A14-S79 WeakPolarHBondContact O-CA 3.2Å; M15-S79 WeakPolarHBondContact SD-CB 3.19Å; S79-M87 CarbonylContact O-C 3.55Å; S79-M87 WeakPolarHBondContact O-CA 3.41Å; S79-D88 PolarHBondContact O-N 3.1Å; S79-F89 PolarHBondContact N-O 3.31Å; S79-F89 PolarHBondContact O-N 2.82Å; S79-F89 WeakPolarHBondContact OG-CB 3.42Å; S79-F89 VanDerWaalsContact OG-CD2 3.23Å; S79-F89 WeakPolarHBondContact OG-CD2 3.38Å
80	G	82	Confident	83.5	Confident	8 Å²	8	71.7 Å²	71.7	8%	0.082	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	156.4	177.5	0	0	0	0	0	111.3	A14 A86	A14-G80 PolarHBondContact N-O 3.49Å; A14-G80 PolarHBondContact O-N 2.92Å; A14-G80 VanDerWaalsContact O-N 3.13Å; G80-A86 WeakPolarHBondContact CA-O 3.37Å
81	N	68.8	Low	83.6	Confident	50 Å²	50	65.9 Å²	65.9	27%	0.267	30%	0.301	S	S	.	.			trans	-84.2	124.7	172.4	-171.5	-46.6	0	0	0	109.1	Y83 Y84	N81-Y83 PolarHBondContact O-N 3.08Å; N81-Y83 WeakPolarHBondContact OD1-CB 3.2Å; N81-Y83 VanDerWaalsContact OD1-CD2 3.28Å; N81-Y83 WeakPolarHBondContact OD1-CD2 3.32Å; N81-Y83 PolarHBondContact OD1-N 3.31Å; N81-Y84 HydrophobicContact CB-CD2 3.89Å; N81-Y84 PolarHBondContact O-N 3.22Å
82	Y	57.9	Low	83.5	Confident	167 Å²	167	74.7 Å²	74.7	66%	0.655	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-28.4	-179.5	-173.5	-96.2	0	0	0	113
83	Y	58.3	Low	83.5	Confident	187 Å²	187	74.4 Å²	74.4	73%	0.733	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-23.4	-179	-67.3	-76	0	0	0	114.7	N81	N81-Y83 PolarHBondContact O-N 3.08Å; N81-Y83 WeakPolarHBondContact OD1-CB 3.2Å; N81-Y83 VanDerWaalsContact OD1-CD2 3.28Å; N81-Y83 WeakPolarHBondContact OD1-CD2 3.32Å; N81-Y83 PolarHBondContact OD1-N 3.31Å
84	Y	58	Low	83.5	Confident	175 Å²	175	77 Å²	77	69%	0.686	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-2.4	-167.9	-64.8	-73	0	0	0	114.5	N81 A86	N81-Y84 HydrophobicContact CB-CD2 3.89Å; N81-Y84 PolarHBondContact O-N 3.22Å; Y84-A86 PolarHBondContact O-N 2.9Å
85	Y	59.7	Low	83.5	Confident	220 Å²	220	77.5 Å²	77.5	86%	0.863	37%	0.372	S	S	*	.			trans	51.7	11.4	-176.7	-58.3	-81	0	0	0	115.1
86	A	66.2	Low	83.4	Confident	44 Å²	44	78.2 Å²	78.2	36%	0.364	38%	0.377	S	S	.	.			trans	-100.9	137.6	179.8	0	0	0	0	0	110	G80 Y84	G80-A86 WeakPolarHBondContact CA-O 3.37Å; Y84-A86 PolarHBondContact O-N 2.9Å
87	M	77.3	Confident	83.4	Confident	38 Å²	38	81.5 Å²	81.5	19%	0.187	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	106.2	169.6	-69.5	-176.1	-177.2	0	0	108.9	V18 W28 A78 S79 W90	V18-M87 HydrophobicContact CG2-CE 3.57Å; V18-M87 HydrophobicContact CG2-SD 3.99Å; W28-M87 HydrophobicContact CD2-CE 4.14Å; W28-M87 HydrophobicContact CE3-CE 4.01Å; W28-M87 HydrophobicContact CH2-CE 2.91Å; W28-M87 HydrophobicContact CZ2-CE 3Å; W28-M87 HydrophobicContact CZ3-CE 3.44Å; W28-M87 VanDerWaalsContact CZ3-CE 3.44Å; A78-M87 HydrophobicContact CB-CB 4.33Å; A78-M87 HydrophobicContact CB-CE 4.32Å; A78-M87 HydrophobicContact CB-CG 4.15Å; A78-M87 HydrophobicContact CB-SD 3.34Å; A78-M87 WeakPolarHBondContact CB-SD 3.09Å; S79-M87 CarbonylContact O-C 3.55Å; S79-M87 WeakPolarHBondContact O-CA 3.41Å; M87-W90 HydrophobicContact CB-CZ2 4.03Å; M87-W90 HydrophobicContact CG-CZ2 4.24Å; M87-W90 PolarHBondContact O-NE1 3.32Å; M87-W90 HydrophobicContact SD-CD2 4.48Å; M87-W90 HydrophobicContact SD-CH2 3.57Å; M87-W90 VanDerWaalsContact SD-CH2 3.57Å; M87-W90 HydrophobicContact SD-CZ2 3.14Å; M87-W90 WeakPolarHBondContact SD-CZ2 3.5Å; M87-W90 HydrophobicContact SD-CZ3 4.39Å
88	D	80.8	Confident	83.3	Confident	93 Å²	93	82.3 Å²	82.3	50%	0.497	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-29.3	-174.5	-58.1	-38.6	0	0	0	111.9	S79	S79-D88 PolarHBondContact O-N 3.1Å
89	F	88	Confident	83.1	Confident	90 Å²	90	87.4 Å²	87.4	40%	0.395	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136.4	-176.7	-52	-87.7	0	0	0	111.4	F8 A78 S79	F8-F89 HydrophobicContact CB-CE2 4.37Å; F8-F89 HydrophobicContact CB-CZ 4.48Å; F8-F89 HydrophobicContact CD1-CD2 4.19Å; F8-F89 HydrophobicContact CD1-CE2 4.39Å; F8-F89 HydrophobicContact CD1-CG 4.26Å; F8-F89 HydrophobicContact CE1-CB 4.39Å; F8-F89 HydrophobicContact CE1-CD2 4.43Å; F8-F89 HydrophobicContact CE1-CG 4.33Å; F8-F89 HydrophobicContact CG-CD2 4.48Å; F8-F89 HydrophobicContact CG-CE2 4.38Å; A78-F89 CarbonylContact C-O 3.52Å; A78-F89 WeakPolarHBondContact CA-O 3.09Å; A78-F89 WeakPolarHBondContact CB-O 3.42Å; S79-F89 PolarHBondContact N-O 3.31Å; S79-F89 PolarHBondContact O-N 2.82Å; S79-F89 WeakPolarHBondContact OG-CB 3.42Å; S79-F89 VanDerWaalsContact OG-CD2 3.23Å; S79-F89 WeakPolarHBondContact OG-CD2 3.38Å
90	W	93.8	Very high	82.4	Confident	116 Å²	116	96.1 Å²	96.1	44%	0.439	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138	179	-71	76.4	0	0	0	110.5	V18 Y76 A78 M87	V18-W90 HydrophobicContact CB-CH2 4.04Å; V18-W90 HydrophobicContact CB-CZ3 3.81Å; V18-W90 HydrophobicContact CG1-CH2 3.94Å; V18-W90 HydrophobicContact CG1-CZ3 3.98Å; V18-W90 HydrophobicContact CG2-CH2 3.89Å; V18-W90 HydrophobicContact CG2-CZ3 4.02Å; Y76-W90 HydrophobicContact CG-CE3 4.23Å; Y76-W90 HydrophobicContact CG-CZ3 4.36Å; A78-W90 HydrophobicContact CB-CD2 3.89Å; A78-W90 HydrophobicContact CB-CE3 4.04Å; A78-W90 HydrophobicContact CB-CG 4.29Å; A78-W90 HydrophobicContact CB-CZ3 4.41Å; M87-W90 HydrophobicContact CB-CZ2 4.03Å; M87-W90 HydrophobicContact CG-CZ2 4.24Å; M87-W90 PolarHBondContact O-NE1 3.32Å; M87-W90 HydrophobicContact SD-CD2 4.48Å; M87-W90 HydrophobicContact SD-CH2 3.57Å; M87-W90 VanDerWaalsContact SD-CH2 3.57Å; M87-W90 HydrophobicContact SD-CZ2 3.14Å; M87-W90 WeakPolarHBondContact SD-CZ2 3.5Å; M87-W90 HydrophobicContact SD-CZ3 4.39Å
91	G	95.1	Very high	82.5	Confident	26 Å²	26	100.5 Å²	100.5	27%	0.268	52%	0.523	S	S	.	.			trans	-72.3	165.1	166.9	0	0	0	0	0	111.7	Y76 C77 G93	Y76-G91 WeakPolarHBondContact CD1-O 3.3Å; C77-G91 PolarHBondContact O-N 3.21Å; G91-G93 PolarHBondContact O-N 2.76Å
92	Q	95.3	Very high	83.2	Confident	187 Å²	187	103.2 Å²	103.2	87%	0.874	54%	0.536	S	S	*	.			trans	-66.8	-18.1	179.1	-66.2	-63.5	-42.6	0	0	113.8
93	G	96.4	Very high	84.6	Confident	31 Å²	31	99.6 Å²	99.6	32%	0.32	53%	0.53	S	S	.	.			trans	92.7	157.9	-177.5	0	0	0	0	0	113.3	Y75 G91	Y75-G93 CarbonylContact O-C 3.54Å; Y75-G93 WeakPolarHBondContact O-CA 3.34Å; G91-G93 PolarHBondContact O-N 2.76Å
94	T	97.8	Very high	86.1	Confident	61 Å²	61	94.5 Å²	94.5	37%	0.374	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	133.5	173.6	-175	0	0	0	0	110.1	L1 Y75	L1-T94 HydrophobicContact CD1-CG2 3.94Å; L1-T94 HydrophobicContact CD2-CG2 3.87Å; L1-T94 HydrophobicContact CG-CG2 4.41Å; Y75-T94 PolarHBondContact N-O 3.36Å; Y75-T94 PolarHBondContact O-N 3.01Å
95	S	97.5	Very high	87.9	Confident	76 Å²	76	89.4 Å²	89.4	53%	0.531	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	135.3	179.6	-170.6	0	0	0	0	109.9	M74	M74-S95 PolarHBondContact SD-N 3.06Å
96	V	97.7	Very high	89.8	Confident	17 Å²	17	80.7 Å²	80.7	10%	0.103	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.4	170.4	179.5	0	0	0	0	106.8	L1 M64 T72 A73 Y75 V98	L1-V96 HydrophobicContact CD1-CG2 4.24Å; L1-V96 HydrophobicContact CD2-CG2 3.97Å; M64-V96 HydrophobicContact CE-CG1 4.2Å; M64-V96 HydrophobicContact CE-CG2 4.14Å; T72-V96 WeakPolarHBondContact CA-O 3.28Å; A73-V96 PolarHBondContact N-O 2.85Å; A73-V96 PolarHBondContact O-N 3.04Å; Y75-V96 HydrophobicContact CD2-CB 3.83Å; Y75-V96 HydrophobicContact CD2-CG2 3.57Å; Y75-V96 HydrophobicContact CE2-CB 3.75Å; Y75-V96 HydrophobicContact CE2-CG1 4.41Å; Y75-V96 HydrophobicContact CE2-CG2 3.91Å; Y75-V96 HydrophobicContact CG-CG2 4.3Å; V96-V98 HydrophobicContact CG1-CG2 4.29Å
97	T	96.9	Very high	91.4	Very high	110 Å²	110	83.4 Å²	83.4	68%	0.675	49%	0.492	S	S	*	.			trans	-121	128.9	178.5	-52.7	0	0	0	0	109.3	T72	T72-T97 HydrophobicContact CG2-CG2 4.24Å
98	V	95.4	Very high	92.5	Very high	30 Å²	30	86.8 Å²	86.8	18%	0.182	52%	0.515	C	S	.	.			trans	-124.8	110.4	179.8	-173.3	0	0	0	0	107.5	L67 K68 T72 V96	L67-V98 HydrophobicContact CB-CG1 4.16Å; L67-V98 HydrophobicContact CB-CG2 4.01Å; L67-V98 HydrophobicContact CD1-CG2 4.17Å; L67-V98 HydrophobicContact CD2-CG2 4.28Å; L67-V98 HydrophobicContact CG-CG2 4.39Å; K68-V98 WeakPolarHBondContact O-CB 3.36Å; T72-V98 PolarHBondContact OG1-N 2.94Å; T72-V98 PolarHBondContact OG1-O 3.05Å; V96-V98 HydrophobicContact CG1-CG2 4.29Å
99	S	90.4	Very high	93.5	Very high	109 Å²	109	86.3 Å²	86.3	76%	0.762	52%	0.517	S	S	*	.			trans	-99.2	151.3	172.9	57.2	0	0	0	0	110.5
100	S	78	Confident	94	Very high	183 Å²	183	86 Å²	86	100%	1.28	53%	0.528	S	S	*	.			trans	-70.4	0	171.5	58.4	0	0	0	0	112.8

Retrieved 100 of 100 residues in 76.7 ms (Link to these results)

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