X5J4S7_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4S7, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 aa.

						>X5J4S7_MOUSE|X5J4S7
LSCKYSGFNIKDTYMHWVKQRPEQGLEWIGRVDPANGYTKYDPKFQAKATITADTSSNTAYLQLSSLTSEDTAVYYCANWFDSWGQGTTLTVSSAKTTPPSVYPLAPGSAA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	94.8	Very high	90.3	Very high	63 Å²	63	70.5 Å²	70.5	33%	0.33	41%	0.414	S	S	.	.				0	139.8	0	-66.1	168.6	0	0	0	108.5	W17 Y61 L62 L64 Y75 T88	L1-W17 HydrophobicContact CB-CH2 3.99Å; L1-W17 HydrophobicContact CB-CZ3 3.97Å; L1-W17 HydrophobicContact CD1-CZ3 4.46Å; L1-Y61 WeakPolarHBondContact O-CA 3.36Å; L1-L62 HydrophobicContact CB-CB 4.3Å; L1-L62 HydrophobicContact CD1-CD2 4.06Å; L1-L62 PolarHBondContact N-O 3.14Å; L1-L62 PolarHBondContact O-N 3.05Å; L1-L64 HydrophobicContact CD1-CD1 4.46Å; L1-Y75 HydrophobicContact CD1-CD1 4.06Å; L1-Y75 HydrophobicContact CD1-CD2 4.31Å; L1-Y75 HydrophobicContact CD1-CG 3.67Å; L1-T88 HydrophobicContact CD2-CG2 3.61Å
2	S	95.3	Very high	90.3	Very high	81 Å²	81	74.7 Å²	74.7	57%	0.566	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	147.2	175.7	56.1	0	0	0	0	109.8	A60	S2-A60 CarbonylContact C-O 3.52Å; S2-A60 WeakPolarHBondContact CA-O 3.38Å
3	C	93.6	Very high	90.2	Very high	14 Å²	14	70 Å²	70	10%	0.095	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	109.6	177.4	-176.9	0	0	0	0	109.2	Y5 W17 T59 A60 C77	C3-Y5 HydrophobicContact CB-CE2 4.15Å; C3-Y5 WeakPolarHBondContact SG-CE2 3.23Å; C3-Y5 PolarHBondContact SG-OH 2.76Å; C3-W17 HydrophobicContact CB-CH2 3.79Å; C3-W17 HydrophobicContact CB-CZ2 4.06Å; C3-T59 CarbonylContact O-C 3.58Å; C3-T59 WeakPolarHBondContact O-CA 3.35Å; C3-A60 PolarHBondContact N-O 2.95Å; C3-A60 PolarHBondContact O-N 3.22Å; C3-C77 HydrophobicContact CB-CB 3.44Å; C3-C77 VanDerWaalsContact CB-CB 3.44Å; C3-C77 WeakPolarHBondContact CB-SG 3.29Å; C3-C77 WeakPolarHBondContact SG-CB 3.35Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 2.92Å
4	K	93.3	Very high	90.3	Very high	159 Å²	159	72.2 Å²	72.2	69%	0.691	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.3	-178.8	-177.4	174.6	-177.5	179.3	0	109.9	T59	K4-T59 HydrophobicContact CB-CG2 4.39Å
5	Y	87.6	Confident	90.5	Very high	21 Å²	21	67.4 Å²	67.4	8%	0.082	38%	0.379	C	S	.	.			trans	-101.8	145.8	180	-73.8	-87.2	0	0	0	111.5	C3 F8 I10 M15 N58 C77 N79	C3-Y5 HydrophobicContact CB-CE2 4.15Å; C3-Y5 WeakPolarHBondContact SG-CE2 3.23Å; C3-Y5 PolarHBondContact SG-OH 2.76Å; Y5-F8 AromaticContact CD1-CE1 3.82Å; Y5-F8 HydrophobicContact CD1-CE1 3.82Å; Y5-F8 HydrophobicContact CD1-CE2 4.02Å; Y5-F8 AromaticContact CD1-CZ 3.2Å; Y5-F8 HydrophobicContact CD1-CZ 3.2Å; Y5-F8 AromaticContact CE1-CZ 3.91Å; Y5-F8 HydrophobicContact CE1-CZ 3.91Å; Y5-F8 HydrophobicContact CG-CE2 4.28Å; Y5-F8 AromaticContact CG-CZ 3.86Å; Y5-F8 HydrophobicContact CG-CZ 3.86Å; Y5-I10 HydrophobicContact CD2-CD1 3.81Å; Y5-I10 HydrophobicContact CD2-CG1 4.13Å; Y5-I10 HydrophobicContact CE2-CD1 4.4Å; Y5-M15 HydrophobicContact CD1-CE 4.41Å; Y5-M15 HydrophobicContact CD2-CE 3.68Å; Y5-M15 HydrophobicContact CE1-CE 3.83Å; Y5-M15 HydrophobicContact CE1-SD 4.48Å; Y5-M15 HydrophobicContact CE2-CE 3.01Å; Y5-M15 HydrophobicContact CE2-SD 3.38Å; Y5-M15 WeakPolarHBondContact CE2-SD 3.4Å; Y5-M15 HydrophobicContact CG-CE 4.34Å; Y5-M15 WeakPolarHBondContact OH-CE 3.25Å; Y5-M15 PolarHBondContact OH-SD 2.82Å; Y5-N58 PolarHBondContact N-O 3.37Å; Y5-N58 PolarHBondContact O-ND2 2.9Å; Y5-C77 WeakPolarHBondContact OH-CB 3.35Å; Y5-N79 HydrophobicContact CE1-CB 4.39Å
6	S	88	Confident	90.7	Very high	105 Å²	105	64.1 Å²	64.1	73%	0.734	36%	0.359	S	S	*	.			trans	-130.6	149.6	175.4	56.3	0	0	0	0	110.1	F8	S6-F8 PolarHBondContact O-N 2.75Å
7	G	85.6	Confident	91	Very high	90 Å²	90	60.6 Å²	60.6	93%	0.928	34%	0.339	S	S	*	.	S	Bend	trans	86.9	-7.3	176.8	0	0	0	0	0	116
8	F	84.5	Confident	91.3	Very high	78 Å²	78	57.6 Å²	57.6	34%	0.342	32%	0.322	S	S	.	.	S	Bend	trans	-156	166.8	173.8	62.7	-89.7	0	0	0	111.6	Y5 S6 T13 N58 N79	Y5-F8 AromaticContact CD1-CE1 3.82Å; Y5-F8 HydrophobicContact CD1-CE1 3.82Å; Y5-F8 HydrophobicContact CD1-CE2 4.02Å; Y5-F8 AromaticContact CD1-CZ 3.2Å; Y5-F8 HydrophobicContact CD1-CZ 3.2Å; Y5-F8 AromaticContact CE1-CZ 3.91Å; Y5-F8 HydrophobicContact CE1-CZ 3.91Å; Y5-F8 HydrophobicContact CG-CE2 4.28Å; Y5-F8 AromaticContact CG-CZ 3.86Å; Y5-F8 HydrophobicContact CG-CZ 3.86Å; S6-F8 PolarHBondContact O-N 2.75Å; F8-T13 HydrophobicContact CD2-CG2 4.36Å; F8-T13 HydrophobicContact CE2-CG2 3.66Å; F8-T13 HydrophobicContact CZ-CG2 4.49Å; F8-N58 PolarHBondContact O-ND2 2.91Å; F8-N79 HydrophobicContact CZ-CB 4.42Å; F8-N79 WeakPolarHBondContact CZ-ND2 3.35Å
9	N	89	Confident	91.4	Very high	71 Å²	71	54.5 Å²	54.5	38%	0.38	31%	0.305	S	S	.	.			trans	-86.1	124.4	176.4	-178	-6.9	0	0	0	110.5	K11 D12	N9-K11 PolarHBondContact O-N 3.29Å; N9-K11 VanDerWaalsContact O-N 3.1Å; N9-K11 WeakPolarHBondContact OD1-CB 3.22Å; N9-K11 PolarHBondContact OD1-N 3.18Å; N9-K11 VanDerWaalsContact OD1-N 3.09Å; N9-D12 WeakPolarHBondContact CB-OD2 3.41Å; N9-D12 PolarHBondContact O-N 2.98Å
10	I	90.5	Very high	91.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-62	-20.7	-176.8	-154.7	-179.3	0	0	0	112.6	Y5 D12 M15 P34 T55 N58 A60	Y5-I10 HydrophobicContact CD2-CD1 3.81Å; Y5-I10 HydrophobicContact CD2-CG1 4.13Å; Y5-I10 HydrophobicContact CE2-CD1 4.4Å; I10-D12 PolarHBondContact O-N 3.11Å; I10-M15 HydrophobicContact CD1-CE 4.25Å; I10-M15 HydrophobicContact CG1-CE 4.07Å; I10-P34 HydrophobicContact CD1-CG 4.46Å; I10-P34 HydrophobicContact CG1-CG 4.06Å; I10-P34 HydrophobicContact CG2-CB 4.08Å; I10-P34 HydrophobicContact CG2-CG 4.46Å; I10-P34 VanDerWaalsContact O-CG 3.29Å; I10-P34 WeakPolarHBondContact O-CG 3.25Å; I10-T55 HydrophobicContact CG2-CG2 4.1Å; I10-N58 WeakPolarHBondContact CB-OD1 3.44Å; I10-N58 WeakPolarHBondContact CG2-OD1 3.32Å; I10-N58 PolarHBondContact N-OD1 2.9Å; I10-A60 HydrophobicContact CD1-CB 4.02Å
11	K	91.3	Very high	91.5	Very high	94 Å²	94	55.3 Å²	55.3	41%	0.409	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-65.7	-21.8	174.8	-68.1	-172.9	-180	-175	0	113.7	N9 T13 A35 T55	N9-K11 PolarHBondContact O-N 3.29Å; N9-K11 VanDerWaalsContact O-N 3.1Å; N9-K11 WeakPolarHBondContact OD1-CB 3.22Å; N9-K11 PolarHBondContact OD1-N 3.18Å; N9-K11 VanDerWaalsContact OD1-N 3.09Å; K11-T13 VanDerWaalsContact C-N 3.28Å; K11-T13 PolarHBondContact O-N 3.27Å; K11-A35 HydrophobicContact CB-CB 4.45Å; K11-T55 HydrophobicContact CD-CG2 4.12Å; K11-T55 VanDerWaalsContact CE-CG2 3.45Å; K11-T55 WeakPolarHBondContact CE-OG1 3.47Å; K11-T55 HydrophobicContact CG-CG2 3.51Å
12	D	89.8	Confident	90.9	Very high	120 Å²	120	58.4 Å²	58.4	64%	0.642	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-87.1	-0.4	-173.1	-57	-29	0	0	0	112.6	N9 I10	N9-D12 WeakPolarHBondContact CB-OD2 3.41Å; N9-D12 PolarHBondContact O-N 2.98Å; I10-D12 PolarHBondContact O-N 3.11Å
13	T	89.2	Confident	90.3	Very high	14 Å²	14	63.9 Å²	63.9	9%	0.086	34%	0.342	C	S	.	.	S	Bend	trans	-142.6	155.6	-177.3	-176.4	0	0	0	0	112.5	F8 K11 P34 N79	F8-T13 HydrophobicContact CD2-CG2 4.36Å; F8-T13 HydrophobicContact CE2-CG2 3.66Å; F8-T13 HydrophobicContact CZ-CG2 4.49Å; K11-T13 VanDerWaalsContact C-N 3.28Å; K11-T13 PolarHBondContact O-N 3.27Å; T13-P34 WeakPolarHBondContact O-CD 3.45Å; T13-N79 HydrophobicContact CG2-CB 4.02Å
14	Y	91.9	Very high	89.5	Confident	101 Å²	101	68.4 Å²	68.4	40%	0.396	36%	0.362	S	S	.	.			trans	-75.2	143.2	164.5	-58.5	-62.8	0	0	0	111.2	R31 D33	Y14-R31 VanDerWaalsContact CE2-NH1 3.26Å; Y14-D33 HydrophobicContact CD1-CB 3.74Å; Y14-D33 HydrophobicContact CE1-CB 3.62Å; Y14-D33 WeakPolarHBondContact CE1-OD2 3.39Å
15	M	92.7	Very high	89.3	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115.9	178.2	-173.6	51.1	48.8	0	0	110.9	Y5 I10 R31 V32 A60 C77 N79	Y5-M15 HydrophobicContact CD1-CE 4.41Å; Y5-M15 HydrophobicContact CD2-CE 3.68Å; Y5-M15 HydrophobicContact CE1-CE 3.83Å; Y5-M15 HydrophobicContact CE1-SD 4.48Å; Y5-M15 HydrophobicContact CE2-CE 3.01Å; Y5-M15 HydrophobicContact CE2-SD 3.38Å; Y5-M15 WeakPolarHBondContact CE2-SD 3.4Å; Y5-M15 HydrophobicContact CG-CE 4.34Å; Y5-M15 WeakPolarHBondContact OH-CE 3.25Å; Y5-M15 PolarHBondContact OH-SD 2.82Å; I10-M15 HydrophobicContact CD1-CE 4.25Å; I10-M15 HydrophobicContact CG1-CE 4.07Å; M15-R31 CarbonylContact O-C 3.51Å; M15-R31 WeakPolarHBondContact O-CA 3.42Å; M15-R31 WeakPolarHBondContact O-CB 3.49Å; M15-V32 HydrophobicContact CB-CG1 3.76Å; M15-V32 HydrophobicContact CG-CG1 4.4Å; M15-V32 PolarHBondContact N-O 3.41Å; M15-V32 PolarHBondContact O-N 3.29Å; M15-A60 HydrophobicContact CB-CB 4.38Å; M15-A60 HydrophobicContact CG-CB 3.48Å; M15-A60 VanDerWaalsContact CG-CB 3.48Å; M15-A60 HydrophobicContact SD-CB 4.44Å; M15-C77 HydrophobicContact SD-CB 4.26Å; M15-N79 HydrophobicContact CE-CB 4.3Å
16	H	94.8	Very high	89.5	Confident	14 Å²	14	66.9 Å²	66.9	7%	0.065	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	143.4	-177.5	-64.5	-104.5	0	0	0	110.9	W28 G30 C77 A78 F81	H16-W28 AromaticContact CG-NE1 3.96Å; H16-W28 AromaticContact ND1-CE2 3.99Å; H16-W28 AromaticContact ND1-NE1 3.19Å; H16-W28 PolarHBondContact ND1-NE1 2.92Å; H16-W28 VanDerWaalsContact ND1-NE1 3.19Å; H16-G30 WeakPolarHBondContact CA-O 3.5Å; H16-C77 CarbonylContact O-C 3.45Å; H16-C77 VanDerWaalsContact O-CA 3.28Å; H16-C77 WeakPolarHBondContact O-CA 3.47Å; H16-A78 HydrophobicContact CB-CB 4.49Å; H16-A78 WeakPolarHBondContact CB-O 3.17Å; H16-A78 PolarHBondContact N-O 3.34Å; H16-A78 PolarHBondContact O-N 3.44Å; H16-F81 AromaticContact CE1-CE2 3.76Å; H16-F81 AromaticContact CE1-CZ 3.41Å; H16-F81 VanDerWaalsContact CE1-CZ 3.41Å; H16-F81 WeakPolarHBondContact CE1-CZ 3.36Å; H16-F81 AromaticContact ND1-CE1 3.82Å; H16-F81 AromaticContact ND1-CZ 3.45Å; H16-F81 WeakPolarHBondContact ND1-CZ 3.5Å
17	W	95.9	Very high	89.8	Confident	5 Å²	5	63.2 Å²	63.2	2%	0.019	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135	170.5	-72	95.8	0	0	0	110	L1 C3 I29 G30 A60 L62 Y76 C77	L1-W17 HydrophobicContact CB-CH2 3.99Å; L1-W17 HydrophobicContact CB-CZ3 3.97Å; L1-W17 HydrophobicContact CD1-CZ3 4.46Å; C3-W17 HydrophobicContact CB-CH2 3.79Å; C3-W17 HydrophobicContact CB-CZ2 4.06Å; W17-I29 HydrophobicContact CB-CB 4.12Å; W17-I29 HydrophobicContact CB-CD1 4.32Å; W17-I29 WeakPolarHBondContact O-CB 3.33Å; W17-I29 PolarHBondContact O-N 3.05Å; W17-G30 PolarHBondContact N-O 2.86Å; W17-A60 HydrophobicContact CZ2-CB 4.39Å; W17-L62 HydrophobicContact CB-CD2 4.12Å; W17-L62 HydrophobicContact CD2-CB 3.52Å; W17-L62 HydrophobicContact CD2-CD2 3.82Å; W17-L62 HydrophobicContact CD2-CG 4.23Å; W17-L62 VanDerWaalsContact CE2-CB 3.49Å; W17-L62 HydrophobicContact CE3-CB 3.78Å; W17-L62 HydrophobicContact CE3-CD2 3.62Å; W17-L62 HydrophobicContact CE3-CG 4.34Å; W17-L62 HydrophobicContact CG-CB 4.04Å; W17-L62 HydrophobicContact CG-CD2 4.05Å; W17-L62 HydrophobicContact CG-CG 4.45Å; W17-L62 HydrophobicContact CH2-CB 3.98Å; W17-L62 HydrophobicContact CZ2-CB 3.74Å; W17-L62 HydrophobicContact CZ3-CB 4Å; W17-L62 HydrophobicContact CZ3-CD2 4.29Å; W17-Y76 WeakPolarHBondContact CA-O 3.46Å; W17-C77 HydrophobicContact CD2-CB 4.47Å; W17-C77 HydrophobicContact CE3-CB 4.21Å; W17-C77 HydrophobicContact CH2-CB 4.15Å; W17-C77 HydrophobicContact CZ2-CB 4.39Å; W17-C77 HydrophobicContact CZ3-CB 4.05Å
18	V	95.3	Very high	90.2	Very high	6 Å²	6	62 Å²	62	4%	0.036	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.2	-175.8	-174.8	0	0	0	0	109.4	L26 E27 Y75 Y76 W84	V18-L26 HydrophobicContact CG1-CB 3.89Å; V18-L26 HydrophobicContact CG1-CD2 3.77Å; V18-L26 HydrophobicContact CG1-CG 4.39Å; V18-E27 CarbonylContact C-O 3.57Å; V18-E27 WeakPolarHBondContact CA-O 3.12Å; V18-E27 WeakPolarHBondContact CG1-O 3.38Å; V18-Y75 CarbonylContact O-C 3.37Å; V18-Y75 WeakPolarHBondContact O-CA 3.42Å; V18-Y76 PolarHBondContact N-O 3.28Å; V18-Y76 PolarHBondContact O-N 3.01Å; V18-W84 HydrophobicContact CB-CH2 4.06Å; V18-W84 HydrophobicContact CB-CZ3 3.9Å; V18-W84 HydrophobicContact CG1-CH2 3.95Å; V18-W84 HydrophobicContact CG1-CZ3 4.03Å; V18-W84 HydrophobicContact CG2-CH2 3.86Å; V18-W84 HydrophobicContact CG2-CZ3 4.08Å
19	K	94.6	Very high	90.8	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	133.7	172.2	-178.7	-176.3	176.9	-172.8	0	108.6	E27 I29 F45 E70 D71 A73 V74 Y75	K19-E27 HydrophobicContact CB-CB 4.38Å; K19-E27 PolarHBondContact N-O 2.87Å; K19-E27 PolarHBondContact O-N 3.08Å; K19-I29 HydrophobicContact CB-CD1 4.01Å; K19-I29 HydrophobicContact CB-CG1 4.1Å; K19-F45 HydrophobicContact CD-CE1 3.87Å; K19-F45 HydrophobicContact CD-CZ 3.98Å; K19-E70 PolarHBondContact NZ-O 2.89Å; K19-D71 IonicContact NZ-OD1 3.16Å; K19-D71 PolarHBondContact NZ-OD1 3.13Å; K19-A73 HydrophobicContact CD-CB 4.04Å; K19-A73 VanDerWaalsContact CE-CB 3.48Å; K19-A73 HydrophobicContact CG-CB 3.4Å; K19-A73 VanDerWaalsContact CG-CB 3.4Å; K19-V74 CarbonylContact C-O 3.59Å; K19-Y75 HydrophobicContact CB-CD1 4.33Å; K19-Y75 HydrophobicContact CB-CE1 4.09Å; K19-Y75 HydrophobicContact CD-CE1 4.24Å; K19-Y75 HydrophobicContact CG-CE1 3.98Å; K19-Y75 HydrophobicContact CG-CE2 4.49Å
20	Q	94.4	Very high	91.1	Very high	70 Å²	70	55 Å²	55	33%	0.327	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.5	171.2	-165.4	-176.5	24.1	0	0	110	G25 L26 A73 V74 Y76	Q20-G25 WeakPolarHBondContact CA-O 3.38Å; Q20-G25 WeakPolarHBondContact CG-O 3.45Å; Q20-L26 HydrophobicContact CB-CD2 3.74Å; Q20-L26 HydrophobicContact CG-CD2 3.76Å; Q20-L26 HydrophobicContact CG-CG 4.46Å; Q20-A73 WeakPolarHBondContact O-CA 3.19Å; Q20-A73 WeakPolarHBondContact O-CB 3.37Å; Q20-V74 PolarHBondContact N-O 2.81Å; Q20-V74 PolarHBondContact O-N 2.85Å; Q20-Y76 HydrophobicContact CB-CD2 4.22Å; Q20-Y76 HydrophobicContact CB-CE2 3.66Å; Q20-Y76 PolarHBondContact OE1-OH 3.48Å; Q20-Y76 VanDerWaalsContact OE1-OH 3.13Å
21	R	90.6	Very high	91.4	Very high	56 Å²	56	57.3 Å²	57.3	21%	0.211	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	144.3	169.8	-59.7	-174.6	-140.8	-172.1	-6.4	109.2	E23 Q24 G25 E27 A73	R21-E23 PolarHBondContact O-N 2.8Å; R21-Q24 HydrophobicContact CB-CB 3.77Å; R21-Q24 HydrophobicContact CG-CB 4.35Å; R21-Q24 PolarHBondContact O-N 2.75Å; R21-Q24 VanDerWaalsContact O-N 3.14Å; R21-G25 PolarHBondContact N-O 2.91Å; R21-E27 IonicContact CZ-OE2 2.82Å; R21-E27 IonicContact NE-OE2 2.75Å; R21-E27 PolarHBondContact NE-OE2 3.46Å; R21-E27 IonicContact NH2-OE1 3.41Å; R21-E27 PolarHBondContact NH2-OE1 2.8Å; R21-E27 IonicContact NH2-OE2 3.29Å; R21-E27 PolarHBondContact NH2-OE2 2.69Å; R21-A73 HydrophobicContact CG-CB 4.22Å
22	P	81.3	Confident	91.6	Very high	128 Å²	128	53 Å²	53	83%	0.831	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-34	179.3	-28	34.8	0	0	0	114
23	E	82.7	Confident	91.8	Very high	196 Å²	196	48.1 Å²	48.1	92%	0.916	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-5.8	-177.6	-57.3	-166.5	173.2	0	0	114.1	R21	R21-E23 PolarHBondContact O-N 2.8Å
24	Q	77.7	Confident	92.1	Very high	109 Å²	109	48 Å²	48	51%	0.509	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	57.6	-164.7	-148.5	169.3	14.7	0	0	111.3	R21	R21-Q24 HydrophobicContact CB-CB 3.77Å; R21-Q24 HydrophobicContact CG-CB 4.35Å; R21-Q24 PolarHBondContact O-N 2.75Å; R21-Q24 VanDerWaalsContact O-N 3.14Å
25	G	87.6	Confident	92.1	Very high	49 Å²	49	46.2 Å²	46.2	51%	0.505	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	46.2	-159.8	164.9	0	0	0	0	0	116.6	Q20 R21	Q20-G25 WeakPolarHBondContact CA-O 3.38Å; Q20-G25 WeakPolarHBondContact CG-O 3.45Å; R21-G25 PolarHBondContact N-O 2.91Å
26	L	92.4	Very high	92.2	Very high	98 Å²	98	51.5 Å²	51.5	51%	0.513	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.7	172.8	-68.2	167.4	0	0	0	109.2	V18 Q20 W84	V18-L26 HydrophobicContact CG1-CB 3.89Å; V18-L26 HydrophobicContact CG1-CD2 3.77Å; V18-L26 HydrophobicContact CG1-CG 4.39Å; Q20-L26 HydrophobicContact CB-CD2 3.74Å; Q20-L26 HydrophobicContact CG-CD2 3.76Å; Q20-L26 HydrophobicContact CG-CG 4.46Å; L26-W84 HydrophobicContact CD1-CH2 3.82Å; L26-W84 HydrophobicContact CD1-CZ2 4.38Å; L26-W84 HydrophobicContact CD1-CZ3 4.47Å; L26-W84 HydrophobicContact CD2-CH2 4.07Å; L26-W84 HydrophobicContact CD2-CZ3 4.01Å; L26-W84 HydrophobicContact CG-CH2 4.5Å
27	E	94.3	Very high	92.1	Very high	28 Å²	28	53.1 Å²	53.1	13%	0.131	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	118.4	175	-63.9	-174	101.9	0	0	109.4	V18 K19 R21 I29 K44 F45	V18-E27 CarbonylContact C-O 3.57Å; V18-E27 WeakPolarHBondContact CA-O 3.12Å; V18-E27 WeakPolarHBondContact CG1-O 3.38Å; K19-E27 HydrophobicContact CB-CB 4.38Å; K19-E27 PolarHBondContact N-O 2.87Å; K19-E27 PolarHBondContact O-N 3.08Å; R21-E27 IonicContact CZ-OE2 2.82Å; R21-E27 IonicContact NE-OE2 2.75Å; R21-E27 PolarHBondContact NE-OE2 3.46Å; R21-E27 IonicContact NH2-OE1 3.41Å; R21-E27 PolarHBondContact NH2-OE1 2.8Å; R21-E27 IonicContact NH2-OE2 3.29Å; R21-E27 PolarHBondContact NH2-OE2 2.69Å; E27-I29 PolarHBondContact O-N 3.22Å; E27-K44 IonicContact OE1-NZ 3.86Å; E27-F45 HydrophobicContact CB-CE2 4.23Å; E27-F45 HydrophobicContact CB-CZ 4.18Å
28	W	94.9	Very high	92	Very high	66 Å²	66	59.2 Å²	59.2	25%	0.25	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	127.5	176	-178.4	70.2	0	0	0	110.4	H16 G30 R31 K40 D42	H16-W28 AromaticContact CG-NE1 3.96Å; H16-W28 AromaticContact ND1-CE2 3.99Å; H16-W28 AromaticContact ND1-NE1 3.19Å; H16-W28 PolarHBondContact ND1-NE1 2.92Å; H16-W28 VanDerWaalsContact ND1-NE1 3.19Å; W28-G30 VanDerWaalsContact CE2-C 3.44Å; W28-G30 PolarHBondContact NE1-O 3.03Å; W28-R31 HydrophobicContact CZ2-CB 3.96Å; W28-R31 HydrophobicContact CZ2-CG 3.97Å; W28-K40 HydrophobicContact CH2-CB 4.25Å; W28-K40 HydrophobicContact CH2-CD 4.11Å; W28-K40 HydrophobicContact CH2-CG 3.98Å; W28-D42 HydrophobicContact CE3-CB 3.93Å; W28-D42 HydrophobicContact CZ3-CB 4.18Å; W28-D42 WeakPolarHBondContact O-CB 3.16Å
29	I	95.9	Very high	92.1	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-45.9	-178.9	-60.8	175.8	0	0	0	110.1	W17 K19 E27 D42 F45 A49 L62 Y75	W17-I29 HydrophobicContact CB-CB 4.12Å; W17-I29 HydrophobicContact CB-CD1 4.32Å; W17-I29 WeakPolarHBondContact O-CB 3.33Å; W17-I29 PolarHBondContact O-N 3.05Å; K19-I29 HydrophobicContact CB-CD1 4.01Å; K19-I29 HydrophobicContact CB-CG1 4.1Å; E27-I29 PolarHBondContact O-N 3.22Å; I29-D42 PolarHBondContact O-N 3.35Å; I29-F45 HydrophobicContact CB-CD2 4.47Å; I29-F45 HydrophobicContact CB-CG 4.33Å; I29-F45 HydrophobicContact CG1-CD1 4.24Å; I29-F45 HydrophobicContact CG1-CD2 4.39Å; I29-F45 HydrophobicContact CG1-CE1 4.3Å; I29-F45 HydrophobicContact CG1-CE2 4.43Å; I29-F45 HydrophobicContact CG1-CG 4.28Å; I29-F45 HydrophobicContact CG1-CZ 4.39Å; I29-F45 HydrophobicContact CG2-CB 3.82Å; I29-F45 HydrophobicContact CG2-CD1 4.34Å; I29-F45 HydrophobicContact CG2-CG 4.01Å; I29-A49 HydrophobicContact CG2-CB 3.73Å; I29-L62 HydrophobicContact CD1-CD2 3.78Å; I29-L62 HydrophobicContact CG2-CD1 4.23Å; I29-Y75 HydrophobicContact CD1-CD1 3.63Å; I29-Y75 HydrophobicContact CD1-CE1 3.76Å
30	G	96.1	Very high	92.2	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.6	-179	-172.6	0	0	0	0	0	112.8	H16 W17 W28 K40	H16-G30 WeakPolarHBondContact CA-O 3.5Å; W17-G30 PolarHBondContact N-O 2.86Å; W28-G30 VanDerWaalsContact CE2-C 3.44Å; W28-G30 PolarHBondContact NE1-O 3.03Å; G30-K40 CarbonylContact C-O 3.55Å; G30-K40 WeakPolarHBondContact CA-O 3.22Å
31	R	95.6	Very high	92.3	Very high	49 Å²	49	65.3 Å²	65.3	19%	0.185	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	158.6	172.4	73.2	-178.7	-173.5	128.4	7.5	112.2	Y14 M15 W28 T39 K40	Y14-R31 VanDerWaalsContact CE2-NH1 3.26Å; M15-R31 CarbonylContact O-C 3.51Å; M15-R31 WeakPolarHBondContact O-CA 3.42Å; M15-R31 WeakPolarHBondContact O-CB 3.49Å; W28-R31 HydrophobicContact CZ2-CB 3.96Å; W28-R31 HydrophobicContact CZ2-CG 3.97Å; R31-T39 VanDerWaalsContact O-CA 3.3Å; R31-T39 WeakPolarHBondContact O-CA 3.01Å; R31-K40 HydrophobicContact CG-CB 4.14Å; R31-K40 PolarHBondContact N-O 3.27Å; R31-K40 PolarHBondContact O-N 3.11Å
32	V	95.8	Very high	92.6	Very high	3 Å²	3	64.7 Å²	64.7	2%	0.018	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.1	165.3	61.2	0	0	0	0	110.2	M15 P34 Y38 T39 I51 A53	M15-V32 HydrophobicContact CB-CG1 3.76Å; M15-V32 HydrophobicContact CG-CG1 4.4Å; M15-V32 PolarHBondContact N-O 3.41Å; M15-V32 PolarHBondContact O-N 3.29Å; V32-P34 WeakPolarHBondContact O-CD 3.49Å; V32-Y38 CarbonylContact C-O 3.45Å; V32-Y38 WeakPolarHBondContact CA-O 3.28Å; V32-T39 HydrophobicContact CB-CG2 3.89Å; V32-T39 HydrophobicContact CG2-CG2 3.77Å; V32-I51 HydrophobicContact CB-CG2 3.64Å; V32-I51 HydrophobicContact CG1-CG2 3.52Å; V32-A53 HydrophobicContact CG1-CB 4.11Å; V32-A53 HydrophobicContact CG2-CB 4.48Å
33	D	95.2	Very high	93.2	Very high	18 Å²	18	63.7 Å²	63.7	10%	0.096	34%	0.344	C	S	.	.			trans	-93.5	105.6	162.9	-177.2	-16.7	0	0	0	108.4	Y14 A35 N36 G37 Y38	Y14-D33 HydrophobicContact CD1-CB 3.74Å; Y14-D33 HydrophobicContact CE1-CB 3.62Å; Y14-D33 WeakPolarHBondContact CE1-OD2 3.39Å; D33-A35 PolarHBondContact O-N 2.82Å; D33-A35 VanDerWaalsContact OD1-CB 3.25Å; D33-A35 WeakPolarHBondContact OD1-CB 3.21Å; D33-A35 PolarHBondContact OD1-N 3.01Å; D33-N36 WeakPolarHBondContact CB-OD1 3.38Å; D33-N36 VanDerWaalsContact CG-OD1 3.28Å; D33-N36 PolarHBondContact O-N 3.14Å; D33-N36 PolarHBondContact OD2-ND2 3.04Å; D33-N36 PolarHBondContact OD2-OD1 3.19Å; D33-G37 WeakPolarHBondContact O-CA 3.44Å; D33-G37 PolarHBondContact O-N 2.91Å; D33-Y38 PolarHBondContact N-O 3.35Å
34	P	94.3	Very high	93.7	Very high	12 Å²	12	61.5 Å²	61.5	8%	0.078	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-14.3	-177.7	-21	37.3	0	0	0	113.5	I10 T13 V32 A53 T55	I10-P34 HydrophobicContact CD1-CG 4.46Å; I10-P34 HydrophobicContact CG1-CG 4.06Å; I10-P34 HydrophobicContact CG2-CB 4.08Å; I10-P34 HydrophobicContact CG2-CG 4.46Å; I10-P34 VanDerWaalsContact O-CG 3.29Å; I10-P34 WeakPolarHBondContact O-CG 3.25Å; T13-P34 WeakPolarHBondContact O-CD 3.45Å; V32-P34 WeakPolarHBondContact O-CD 3.49Å; P34-A53 HydrophobicContact CB-CB 3.82Å; P34-A53 HydrophobicContact CG-CB 3.93Å; P34-T55 HydrophobicContact CB-CG2 3.87Å; P34-T55 WeakPolarHBondContact O-CG2 3.41Å
35	A	93.1	Very high	94.4	Very high	63 Å²	63	56.8 Å²	56.8	52%	0.521	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-35.4	178.6	0	0	0	0	0	112.5	K11 D33	K11-A35 HydrophobicContact CB-CB 4.45Å; D33-A35 PolarHBondContact O-N 2.82Å; D33-A35 VanDerWaalsContact OD1-CB 3.25Å; D33-A35 WeakPolarHBondContact OD1-CB 3.21Å; D33-A35 PolarHBondContact OD1-N 3.01Å
36	N	93.9	Very high	94.7	Very high	111 Å²	111	60.6 Å²	60.6	59%	0.594	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.3	-2.4	-176.3	58.5	34.9	0	0	0	114	D33 Y38	D33-N36 WeakPolarHBondContact CB-OD1 3.38Å; D33-N36 VanDerWaalsContact CG-OD1 3.28Å; D33-N36 PolarHBondContact O-N 3.14Å; D33-N36 PolarHBondContact OD2-ND2 3.04Å; D33-N36 PolarHBondContact OD2-OD1 3.19Å; N36-Y38 VanDerWaalsContact C-N 3.27Å; N36-Y38 PolarHBondContact O-N 2.83Å; N36-Y38 WeakPolarHBondContact OD1-CB 2.99Å; N36-Y38 PolarHBondContact OD1-N 2.92Å
37	G	92.2	Very high	94.7	Very high	49 Å²	49	60.4 Å²	60.4	51%	0.505	33%	0.326	S	S	.	.			trans	76.6	6.2	-179.4	0	0	0	0	0	114.8	D33 T39	D33-G37 WeakPolarHBondContact O-CA 3.44Å; D33-G37 PolarHBondContact O-N 2.91Å; G37-T39 PolarHBondContact O-N 2.92Å
38	Y	95	Very high	94.7	Very high	132 Å²	132	61.7 Å²	61.7	52%	0.518	33%	0.332	S	S	.	.			trans	-65	130.8	-179.5	177.9	-98.1	0	0	0	110.9	V32 D33 N36 K40	V32-Y38 CarbonylContact C-O 3.45Å; V32-Y38 WeakPolarHBondContact CA-O 3.28Å; D33-Y38 PolarHBondContact N-O 3.35Å; N36-Y38 VanDerWaalsContact C-N 3.27Å; N36-Y38 PolarHBondContact O-N 2.83Å; N36-Y38 WeakPolarHBondContact OD1-CB 2.99Å; N36-Y38 PolarHBondContact OD1-N 2.92Å; Y38-K40 HydrophobicContact CE1-CB 4.24Å
39	T	96.8	Very high	94.7	Very high	47 Å²	47	58.8 Å²	58.8	29%	0.288	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	144.4	179.3	51.4	0	0	0	0	111.3	R31 V32 G37 Y41 I51	R31-T39 VanDerWaalsContact O-CA 3.3Å; R31-T39 WeakPolarHBondContact O-CA 3.01Å; V32-T39 HydrophobicContact CB-CG2 3.89Å; V32-T39 HydrophobicContact CG2-CG2 3.77Å; G37-T39 PolarHBondContact O-N 2.92Å; T39-Y41 WeakPolarHBondContact OG1-CE2 3.25Å; T39-I51 HydrophobicContact CG2-CB 4.47Å; T39-I51 WeakPolarHBondContact CG2-O 3.29Å
40	K	96.4	Very high	94.8	Very high	111 Å²	111	62 Å²	62	48%	0.483	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.6	171.3	-172.2	-175.3	177.7	-179.9	0	108.4	W28 G30 R31 Y38	W28-K40 HydrophobicContact CH2-CB 4.25Å; W28-K40 HydrophobicContact CH2-CD 4.11Å; W28-K40 HydrophobicContact CH2-CG 3.98Å; G30-K40 CarbonylContact C-O 3.55Å; G30-K40 WeakPolarHBondContact CA-O 3.22Å; R31-K40 HydrophobicContact CG-CB 4.14Å; R31-K40 PolarHBondContact N-O 3.27Å; R31-K40 PolarHBondContact O-N 3.11Å; Y38-K40 HydrophobicContact CE1-CB 4.24Å
41	Y	97.3	Very high	94.8	Very high	47 Å²	47	62.2 Å²	62.2	18%	0.184	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	154.5	-178.4	-61.4	-88.8	0	0	0	110.6	T39 A49 I51	T39-Y41 WeakPolarHBondContact OG1-CE2 3.25Å; Y41-A49 HydrophobicContact CD1-CB 4.39Å; Y41-A49 HydrophobicContact CE1-CB 4.35Å; Y41-A49 VanDerWaalsContact CE1-O 3.25Å; Y41-A49 WeakPolarHBondContact CE1-O 3.4Å; Y41-I51 HydrophobicContact CD1-CD1 4.04Å; Y41-I51 HydrophobicContact CE1-CB 4.2Å; Y41-I51 HydrophobicContact CE1-CD1 3.67Å; Y41-I51 HydrophobicContact CE1-CG1 3.75Å; Y41-I51 PolarHBondContact OH-N 2.79Å
42	D	95.8	Very high	94.9	Very high	42 Å²	42	63.2 Å²	63.2	23%	0.225	35%	0.354	C	S	.	.			trans	-73.5	135	156.8	-178.5	-64.8	0	0	0	108.6	W28 I29 K44 F45 Q46	W28-D42 HydrophobicContact CE3-CB 3.93Å; W28-D42 HydrophobicContact CZ3-CB 4.18Å; W28-D42 WeakPolarHBondContact O-CB 3.16Å; I29-D42 PolarHBondContact O-N 3.35Å; D42-K44 PolarHBondContact O-N 2.9Å; D42-K44 VanDerWaalsContact OD1-CB 3.25Å; D42-K44 WeakPolarHBondContact OD1-CB 2.95Å; D42-K44 WeakPolarHBondContact OD1-CG 3.38Å; D42-K44 PolarHBondContact OD1-N 3.38Å; D42-F45 HydrophobicContact CB-CD2 4.04Å; D42-F45 PolarHBondContact O-N 3.06Å; D42-Q46 PolarHBondContact O-N 3.48Å; D42-Q46 VanDerWaalsContact O-N 3.14Å
43	P	95.1	Very high	94.9	Very high	108 Å²	108	64.6 Å²	64.6	70%	0.701	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-30.5	-177.8	-28.4	35.5	0	0	0	114.5	F45	P43-F45 PolarHBondContact O-N 2.95Å
44	K	91.6	Very high	94.9	Very high	149 Å²	149	66.3 Å²	66.3	65%	0.648	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-29.3	177.9	-65	173.8	176.8	177.1	0	112.9	E27 D42	E27-K44 IonicContact OE1-NZ 3.86Å; D42-K44 PolarHBondContact O-N 2.9Å; D42-K44 VanDerWaalsContact OD1-CB 3.25Å; D42-K44 WeakPolarHBondContact OD1-CB 2.95Å; D42-K44 WeakPolarHBondContact OD1-CG 3.38Å; D42-K44 PolarHBondContact OD1-N 3.38Å
45	F	93.6	Very high	94.8	Very high	10 Å²	10	68 Å²	68	4%	0.044	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-11.1	-173.8	-63	-82.4	0	0	0	113.2	K19 E27 I29 D42 P43 A47 K48 A49	K19-F45 HydrophobicContact CD-CE1 3.87Å; K19-F45 HydrophobicContact CD-CZ 3.98Å; E27-F45 HydrophobicContact CB-CE2 4.23Å; E27-F45 HydrophobicContact CB-CZ 4.18Å; I29-F45 HydrophobicContact CB-CD2 4.47Å; I29-F45 HydrophobicContact CB-CG 4.33Å; I29-F45 HydrophobicContact CG1-CD1 4.24Å; I29-F45 HydrophobicContact CG1-CD2 4.39Å; I29-F45 HydrophobicContact CG1-CE1 4.3Å; I29-F45 HydrophobicContact CG1-CE2 4.43Å; I29-F45 HydrophobicContact CG1-CG 4.28Å; I29-F45 HydrophobicContact CG1-CZ 4.39Å; I29-F45 HydrophobicContact CG2-CB 3.82Å; I29-F45 HydrophobicContact CG2-CD1 4.34Å; I29-F45 HydrophobicContact CG2-CG 4.01Å; D42-F45 HydrophobicContact CB-CD2 4.04Å; D42-F45 PolarHBondContact O-N 3.06Å; P43-F45 PolarHBondContact O-N 2.95Å; F45-A47 PolarHBondContact O-N 2.83Å; F45-A47 VanDerWaalsContact O-N 3.11Å; F45-K48 PolarHBondContact O-N 3.35Å; F45-A49 HydrophobicContact CB-CB 4.21Å; F45-A49 WeakPolarHBondContact O-CB 3.35Å; F45-A49 PolarHBondContact O-N 3.05Å
46	Q	92.9	Very high	94.8	Very high	129 Å²	129	70.1 Å²	70.1	60%	0.603	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.4	-174.9	-171.7	173.1	1.1	0	0	114.1	D42	D42-Q46 PolarHBondContact O-N 3.48Å; D42-Q46 VanDerWaalsContact O-N 3.14Å
47	A	92.9	Very high	94.9	Very high	95 Å²	95	66.6 Å²	66.6	79%	0.785	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-15.9	178	0	0	0	0	0	114	F45	F45-A47 PolarHBondContact O-N 2.83Å; F45-A47 VanDerWaalsContact O-N 3.11Å
48	K	94	Very high	94.9	Very high	55 Å²	55	65.6 Å²	65.6	24%	0.239	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-22.8	-172.7	-67.8	-175	172.2	-170.3	0	113.5	F45 L64 S65 D71	F45-K48 PolarHBondContact O-N 3.35Å; K48-L64 CarbonylContact O-C 3.54Å; K48-L64 VanDerWaalsContact O-CA 3.29Å; K48-L64 WeakPolarHBondContact O-CA 3.16Å; K48-S65 PolarHBondContact O-N 3.22Å; K48-S65 PolarHBondContact O-OG 2.92Å; K48-D71 IonicContact NZ-OD1 3.56Å; K48-D71 IonicContact NZ-OD2 2.82Å; K48-D71 PolarHBondContact NZ-OD2 2.97Å
49	A	96.3	Very high	94.9	Very high	4 Å²	4	59.7 Å²	59.7	3%	0.033	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.3	-171.5	0	0	0	0	0	111.6	I29 Y41 F45 L62 Q63 L64	I29-A49 HydrophobicContact CG2-CB 3.73Å; Y41-A49 HydrophobicContact CD1-CB 4.39Å; Y41-A49 HydrophobicContact CE1-CB 4.35Å; Y41-A49 VanDerWaalsContact CE1-O 3.25Å; Y41-A49 WeakPolarHBondContact CE1-O 3.4Å; F45-A49 HydrophobicContact CB-CB 4.21Å; F45-A49 WeakPolarHBondContact O-CB 3.35Å; F45-A49 PolarHBondContact O-N 3.05Å; A49-L62 HydrophobicContact CB-CD1 3.89Å; A49-Q63 WeakPolarHBondContact CA-O 3.37Å; A49-L64 HydrophobicContact CB-CD2 3.96Å
50	T	97.1	Very high	94.8	Very high	68 Å²	68	57.5 Å²	57.5	42%	0.417	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.8	167.4	-56.7	0	0	0	0	108	T52 Q63	T50-T52 HydrophobicContact CG2-CG2 4.23Å; T50-Q63 PolarHBondContact N-O 3.4Å; T50-Q63 PolarHBondContact O-N 3.37Å
51	I	97.1	Very high	94.9	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.9	178.4	-59.4	165.2	0	0	0	108.9	V32 T39 Y41 Y61 L62	V32-I51 HydrophobicContact CB-CG2 3.64Å; V32-I51 HydrophobicContact CG1-CG2 3.52Å; T39-I51 HydrophobicContact CG2-CB 4.47Å; T39-I51 WeakPolarHBondContact CG2-O 3.29Å; Y41-I51 HydrophobicContact CD1-CD1 4.04Å; Y41-I51 HydrophobicContact CE1-CB 4.2Å; Y41-I51 HydrophobicContact CE1-CD1 3.67Å; Y41-I51 HydrophobicContact CE1-CG1 3.75Å; Y41-I51 PolarHBondContact OH-N 2.79Å; I51-Y61 WeakPolarHBondContact CA-O 3.33Å; I51-L62 HydrophobicContact CG1-CD1 3.8Å
52	T	96.4	Very high	94.9	Very high	70 Å²	70	54.1 Å²	54.1	43%	0.429	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	167.3	175.4	64	0	0	0	0	110.8	T50 Y61	T50-T52 HydrophobicContact CG2-CG2 4.23Å; T52-Y61 PolarHBondContact N-O 2.89Å; T52-Y61 PolarHBondContact O-N 3.37Å
53	A	95.7	Very high	94.9	Very high	33 Å²	33	58.5 Å²	58.5	27%	0.273	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	141.6	174.4	0	0	0	0	0	110.8	V32 P34	V32-A53 HydrophobicContact CG1-CB 4.11Å; V32-A53 HydrophobicContact CG2-CB 4.48Å; P34-A53 HydrophobicContact CB-CB 3.82Å; P34-A53 HydrophobicContact CG-CB 3.93Å
54	D	94.8	Very high	94.9	Very high	53 Å²	53	55 Å²	55	28%	0.283	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	111.5	169.6	175.5	11.5	0	0	0	108.9	S56 S57 N58 T59 Y61	D54-S56 VanDerWaalsContact C-N 3.33Å; D54-S56 VanDerWaalsContact CG-OG 3.31Å; D54-S56 WeakPolarHBondContact OD1-CB 3.46Å; D54-S56 PolarHBondContact OD1-N 2.86Å; D54-S56 PolarHBondContact OD1-OG 3.4Å; D54-S56 PolarHBondContact OD2-OG 2.84Å; D54-S57 WeakPolarHBondContact CB-OG 3.03Å; D54-S57 VanDerWaalsContact OD2-CB 3.31Å; D54-S57 WeakPolarHBondContact OD2-CB 3.01Å; D54-S57 PolarHBondContact OD2-OG 2.84Å; D54-N58 PolarHBondContact O-N 2.88Å; D54-N58 VanDerWaalsContact O-N 3.1Å; D54-T59 PolarHBondContact N-O 2.77Å; D54-T59 PolarHBondContact O-N 2.87Å; D54-Y61 HydrophobicContact CB-CE2 3.88Å
55	T	93.6	Very high	95	Very high	47 Å²	47	50.4 Å²	50.4	29%	0.288	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-18.4	-176.8	64.1	0	0	0	0	112.8	I10 K11 P34	I10-T55 HydrophobicContact CG2-CG2 4.1Å; K11-T55 HydrophobicContact CD-CG2 4.12Å; K11-T55 VanDerWaalsContact CE-CG2 3.45Å; K11-T55 WeakPolarHBondContact CE-OG1 3.47Å; K11-T55 HydrophobicContact CG-CG2 3.51Å; P34-T55 HydrophobicContact CB-CG2 3.87Å; P34-T55 WeakPolarHBondContact O-CG2 3.41Å
56	S	93	Very high	94.8	Very high	108 Å²	108	54.9 Å²	54.9	76%	0.755	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-37.2	175.9	72.8	0	0	0	0	111.7	D54	D54-S56 VanDerWaalsContact C-N 3.33Å; D54-S56 VanDerWaalsContact CG-OG 3.31Å; D54-S56 WeakPolarHBondContact OD1-CB 3.46Å; D54-S56 PolarHBondContact OD1-N 2.86Å; D54-S56 PolarHBondContact OD1-OG 3.4Å; D54-S56 PolarHBondContact OD2-OG 2.84Å
57	S	94.6	Very high	94.7	Very high	37 Å²	37	51.4 Å²	51.4	26%	0.259	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	2.4	177.7	64.9	0	0	0	0	113.8	D54 T59	D54-S57 WeakPolarHBondContact CB-OG 3.03Å; D54-S57 VanDerWaalsContact OD2-CB 3.31Å; D54-S57 WeakPolarHBondContact OD2-CB 3.01Å; D54-S57 PolarHBondContact OD2-OG 2.84Å; S57-T59 PolarHBondContact O-N 2.89Å; S57-T59 PolarHBondContact O-OG1 3.3Å
58	N	93.3	Very high	94.6	Very high	28 Å²	28	49.7 Å²	49.7	15%	0.15	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	39.8	-178.1	-145.9	47.6	0	0	0	112.8	Y5 F8 I10 D54	Y5-N58 PolarHBondContact N-O 3.37Å; Y5-N58 PolarHBondContact O-ND2 2.9Å; F8-N58 PolarHBondContact O-ND2 2.91Å; I10-N58 WeakPolarHBondContact CB-OD1 3.44Å; I10-N58 WeakPolarHBondContact CG2-OD1 3.32Å; I10-N58 PolarHBondContact N-OD1 2.9Å; D54-N58 PolarHBondContact O-N 2.88Å; D54-N58 VanDerWaalsContact O-N 3.1Å
59	T	95.2	Very high	94.4	Very high	9 Å²	9	51.2 Å²	51.2	6%	0.055	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.8	-169.7	-57.5	0	0	0	0	111.2	C3 K4 D54 S57 Y61	C3-T59 CarbonylContact O-C 3.58Å; C3-T59 WeakPolarHBondContact O-CA 3.35Å; K4-T59 HydrophobicContact CB-CG2 4.39Å; D54-T59 PolarHBondContact N-O 2.77Å; D54-T59 PolarHBondContact O-N 2.87Å; S57-T59 PolarHBondContact O-N 2.89Å; S57-T59 PolarHBondContact O-OG1 3.3Å; T59-Y61 HydrophobicContact CG2-CD1 4.38Å; T59-Y61 HydrophobicContact CG2-CE1 3.71Å; T59-Y61 HydrophobicContact CG2-CE2 3.93Å; T59-Y61 VanDerWaalsContact CG2-CZ 3.45Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.35Å
60	A	95.2	Very high	93.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	152.2	170	0	0	0	0	0	111.6	S2 C3 I10 M15 W17	S2-A60 CarbonylContact C-O 3.52Å; S2-A60 WeakPolarHBondContact CA-O 3.38Å; C3-A60 PolarHBondContact N-O 2.95Å; C3-A60 PolarHBondContact O-N 3.22Å; I10-A60 HydrophobicContact CD1-CB 4.02Å; M15-A60 HydrophobicContact CB-CB 4.38Å; M15-A60 HydrophobicContact CG-CB 3.48Å; M15-A60 VanDerWaalsContact CG-CB 3.48Å; M15-A60 HydrophobicContact SD-CB 4.44Å; W17-A60 HydrophobicContact CZ2-CB 4.39Å
61	Y	96.8	Very high	93.6	Very high	85 Å²	85	54.6 Å²	54.6	33%	0.333	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.2	-177.4	-55.4	-85.9	0	0	0	111	L1 I51 T52 D54 T59	L1-Y61 WeakPolarHBondContact O-CA 3.36Å; I51-Y61 WeakPolarHBondContact CA-O 3.33Å; T52-Y61 PolarHBondContact N-O 2.89Å; T52-Y61 PolarHBondContact O-N 3.37Å; D54-Y61 HydrophobicContact CB-CE2 3.88Å; T59-Y61 HydrophobicContact CG2-CD1 4.38Å; T59-Y61 HydrophobicContact CG2-CE1 3.71Å; T59-Y61 HydrophobicContact CG2-CE2 3.93Å; T59-Y61 VanDerWaalsContact CG2-CZ 3.45Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.35Å
62	L	97.3	Very high	93.4	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.6	168.3	170.3	67.5	0	0	0	107.9	L1 W17 I29 A49 I51 L64 Y75	L1-L62 HydrophobicContact CB-CB 4.3Å; L1-L62 HydrophobicContact CD1-CD2 4.06Å; L1-L62 PolarHBondContact N-O 3.14Å; L1-L62 PolarHBondContact O-N 3.05Å; W17-L62 HydrophobicContact CB-CD2 4.12Å; W17-L62 HydrophobicContact CD2-CB 3.52Å; W17-L62 HydrophobicContact CD2-CD2 3.82Å; W17-L62 HydrophobicContact CD2-CG 4.23Å; W17-L62 VanDerWaalsContact CE2-CB 3.49Å; W17-L62 HydrophobicContact CE3-CB 3.78Å; W17-L62 HydrophobicContact CE3-CD2 3.62Å; W17-L62 HydrophobicContact CE3-CG 4.34Å; W17-L62 HydrophobicContact CG-CB 4.04Å; W17-L62 HydrophobicContact CG-CD2 4.05Å; W17-L62 HydrophobicContact CG-CG 4.45Å; W17-L62 HydrophobicContact CH2-CB 3.98Å; W17-L62 HydrophobicContact CZ2-CB 3.74Å; W17-L62 HydrophobicContact CZ3-CB 4Å; W17-L62 HydrophobicContact CZ3-CD2 4.29Å; I29-L62 HydrophobicContact CD1-CD2 3.78Å; I29-L62 HydrophobicContact CG2-CD1 4.23Å; A49-L62 HydrophobicContact CB-CD1 3.89Å; I51-L62 HydrophobicContact CG1-CD1 3.8Å; L62-L64 HydrophobicContact CD1-CD2 3.98Å; L62-L64 HydrophobicContact CD1-CG 4.41Å; L62-L64 HydrophobicContact CD2-CD1 4.34Å; L62-L64 HydrophobicContact CD2-CD2 4.27Å; L62-L64 HydrophobicContact CD2-CG 4.32Å; L62-L64 HydrophobicContact CG-CD2 4.15Å; L62-L64 HydrophobicContact CG-CG 4.09Å; L62-Y75 HydrophobicContact CD2-CD1 4.06Å
63	Q	96.7	Very high	93.3	Very high	135 Å²	135	53.6 Å²	53.6	63%	0.631	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	130.2	170.8	-174.6	176.5	8.8	0	0	108.4	A49 T50	A49-Q63 WeakPolarHBondContact CA-O 3.37Å; T50-Q63 PolarHBondContact N-O 3.4Å; T50-Q63 PolarHBondContact O-N 3.37Å
64	L	95.1	Very high	93.3	Very high	33 Å²	33	53.4 Å²	53.4	17%	0.173	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.7	177	-62.5	166.7	0	0	0	109	L1 K48 A49 L62 L67 Y75 L90	L1-L64 HydrophobicContact CD1-CD1 4.46Å; K48-L64 CarbonylContact O-C 3.54Å; K48-L64 VanDerWaalsContact O-CA 3.29Å; K48-L64 WeakPolarHBondContact O-CA 3.16Å; A49-L64 HydrophobicContact CB-CD2 3.96Å; L62-L64 HydrophobicContact CD1-CD2 3.98Å; L62-L64 HydrophobicContact CD1-CG 4.41Å; L62-L64 HydrophobicContact CD2-CD1 4.34Å; L62-L64 HydrophobicContact CD2-CD2 4.27Å; L62-L64 HydrophobicContact CD2-CG 4.32Å; L62-L64 HydrophobicContact CG-CD2 4.15Å; L62-L64 HydrophobicContact CG-CG 4.09Å; L64-L67 HydrophobicContact CB-CD1 4.13Å; L64-L67 HydrophobicContact CB-CD2 3.77Å; L64-L67 HydrophobicContact CB-CG 4.11Å; L64-L67 HydrophobicContact CD1-CD2 4.21Å; L64-L67 HydrophobicContact CG-CD2 4.49Å; L64-Y75 HydrophobicContact CD1-CD1 3.99Å; L64-Y75 HydrophobicContact CD1-CE1 3.45Å; L64-Y75 VanDerWaalsContact CD1-CE1 3.45Å; L64-Y75 HydrophobicContact CD1-CE2 4.49Å; L64-L90 HydrophobicContact CD1-CD2 3.83Å
65	S	93.6	Very high	93.4	Very high	54 Å²	54	51 Å²	51	38%	0.378	30%	0.296	S	S	.	.			trans	-125.2	159.5	178.3	60.9	0	0	0	0	111	K48 L67	K48-S65 PolarHBondContact O-N 3.22Å; K48-S65 PolarHBondContact O-OG 2.92Å; S65-L67 VanDerWaalsContact C-N 3.26Å; S65-L67 PolarHBondContact O-N 3.3Å
66	S	90	Very high	93.4	Very high	103 Å²	103	50.9 Å²	50.9	72%	0.72	29%	0.29	S	S	*	.	S	Bend	trans	52.4	43.3	176.8	-56.5	0	0	0	0	113.6
67	L	90.8	Very high	93.5	Very high	56 Å²	56	46.2 Å²	46.2	29%	0.293	26%	0.258	S	S	.	.			trans	-70	137.2	-178	-70.2	175.2	0	0	0	111.8	L64 S65 D71 L90 V92	L64-L67 HydrophobicContact CB-CD1 4.13Å; L64-L67 HydrophobicContact CB-CD2 3.77Å; L64-L67 HydrophobicContact CB-CG 4.11Å; L64-L67 HydrophobicContact CD1-CD2 4.21Å; L64-L67 HydrophobicContact CG-CD2 4.49Å; S65-L67 VanDerWaalsContact C-N 3.26Å; S65-L67 PolarHBondContact O-N 3.3Å; L67-D71 HydrophobicContact CB-CB 4.46Å; L67-D71 HydrophobicContact CD2-CB 3.55Å; L67-L90 HydrophobicContact CD1-CD2 3.81Å; L67-L90 HydrophobicContact CD2-CD2 4.5Å; L67-V92 HydrophobicContact CB-CG1 4.25Å; L67-V92 HydrophobicContact CB-CG2 3.96Å; L67-V92 HydrophobicContact CD1-CG2 4.2Å
68	T	90.6	Very high	93.4	Very high	59 Å²	59	44.4 Å²	44.4	36%	0.362	25%	0.245	S	C	.	.			trans	-114.2	174.5	173.3	66.2	0	0	0	0	110.9	E70 D71 V92	T68-E70 PolarHBondContact O-N 2.76Å; T68-D71 PolarHBondContact N-OD2 2.86Å; T68-D71 WeakPolarHBondContact O-CB 3.37Å; T68-D71 PolarHBondContact O-N 2.94Å; T68-V92 WeakPolarHBondContact O-CB 3.47Å; T68-V92 WeakPolarHBondContact O-CG1 3.35Å
69	S	88.8	Confident	93	Very high	87 Å²	87	44 Å²	44	61%	0.608	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-55.8	-31.6	175.5	49	0	0	0	0	112.9	D71 T72	S69-D71 PolarHBondContact O-N 2.03Å; S69-T72 VanDerWaalsContact O-CB 3.23Å; S69-T72 WeakPolarHBondContact O-CB 3.41Å; S69-T72 PolarHBondContact O-N 3.26Å; S69-T72 VanDerWaalsContact O-N 3.11Å; S69-T72 PolarHBondContact O-OG1 2.9Å
70	E	86.6	Confident	91.9	Very high	134 Å²	134	52.8 Å²	52.8	63%	0.626	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-67.4	-15.5	175.6	-57.3	-179.5	163.2	0	0	113.7	K19 T68 T72	K19-E70 PolarHBondContact NZ-O 2.89Å; T68-E70 PolarHBondContact O-N 2.76Å; E70-T72 VanDerWaalsContact C-N 3.27Å
71	D	90.2	Very high	90.5	Very high	9 Å²	9	58.4 Å²	58.4	5%	0.048	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-85.2	-1.3	174.8	-63.2	-49	0	0	0	113.1	K19 K48 L67 T68 S69 A73 Y75	K19-D71 IonicContact NZ-OD1 3.16Å; K19-D71 PolarHBondContact NZ-OD1 3.13Å; K48-D71 IonicContact NZ-OD1 3.56Å; K48-D71 IonicContact NZ-OD2 2.82Å; K48-D71 PolarHBondContact NZ-OD2 2.97Å; L67-D71 HydrophobicContact CB-CB 4.46Å; L67-D71 HydrophobicContact CD2-CB 3.55Å; T68-D71 PolarHBondContact N-OD2 2.86Å; T68-D71 WeakPolarHBondContact O-CB 3.37Å; T68-D71 PolarHBondContact O-N 2.94Å; S69-D71 PolarHBondContact O-N 2.03Å; D71-A73 PolarHBondContact O-N 2.85Å; D71-Y75 WeakPolarHBondContact O-CE2 3.33Å; D71-Y75 PolarHBondContact O-OH 3.41Å
72	T	92.5	Very high	89.2	Confident	49 Å²	49	61.5 Å²	61.5	30%	0.301	32%	0.322	S	S	.	.			trans	-64.7	115.4	171.6	-61.8	0	0	0	0	110.5	S69 E70 L90 T91 V92	S69-T72 VanDerWaalsContact O-CB 3.23Å; S69-T72 WeakPolarHBondContact O-CB 3.41Å; S69-T72 PolarHBondContact O-N 3.26Å; S69-T72 VanDerWaalsContact O-N 3.11Å; S69-T72 PolarHBondContact O-OG1 2.9Å; E70-T72 VanDerWaalsContact C-N 3.27Å; T72-L90 VanDerWaalsContact CA-O 3.25Å; T72-L90 WeakPolarHBondContact CA-O 3.49Å; T72-T91 HydrophobicContact CG2-CG2 4.23Å; T72-V92 PolarHBondContact OG1-N 2.84Å
73	A	94.8	Very high	88.5	Confident	4 Å²	4	64.3 Å²	64.3	3%	0.033	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	171	-172.2	0	0	0	0	0	111	K19 Q20 R21 D71 Y75 L90	K19-A73 HydrophobicContact CD-CB 4.04Å; K19-A73 VanDerWaalsContact CE-CB 3.48Å; K19-A73 HydrophobicContact CG-CB 3.4Å; K19-A73 VanDerWaalsContact CG-CB 3.4Å; Q20-A73 WeakPolarHBondContact O-CA 3.19Å; Q20-A73 WeakPolarHBondContact O-CB 3.37Å; R21-A73 HydrophobicContact CG-CB 4.22Å; D71-A73 PolarHBondContact O-N 2.85Å; A73-Y75 HydrophobicContact CB-CD2 4.36Å; A73-Y75 HydrophobicContact CB-CE2 3.78Å; A73-Y75 WeakPolarHBondContact O-CD2 3.38Å; A73-L90 PolarHBondContact N-O 3.42Å; A73-L90 VanDerWaalsContact N-O 3.08Å; A73-L90 PolarHBondContact O-N 3.34Å
74	V	95.8	Very high	88.1	Confident	30 Å²	30	63 Å²	63	18%	0.182	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.1	164.8	-168.4	0	0	0	0	108.9	K19 Q20 Y76	K19-V74 CarbonylContact C-O 3.59Å; Q20-V74 PolarHBondContact N-O 2.81Å; Q20-V74 PolarHBondContact O-N 2.85Å; V74-Y76 HydrophobicContact CB-CE2 3.69Å; V74-Y76 HydrophobicContact CG1-CD2 4.27Å; V74-Y76 HydrophobicContact CG1-CE1 4.03Å; V74-Y76 HydrophobicContact CG1-CE2 3.51Å; V74-Y76 WeakPolarHBondContact CG1-OH 3.3Å
75	Y	96.1	Very high	87.9	Confident	3 Å²	3	62.6 Å²	62.6	1%	0.012	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.6	-179	-69.9	-100.7	0	0	0	110.1	L1 V18 K19 I29 L62 L64 D71 A73 G87 T88 L90	L1-Y75 HydrophobicContact CD1-CD1 4.06Å; L1-Y75 HydrophobicContact CD1-CD2 4.31Å; L1-Y75 HydrophobicContact CD1-CG 3.67Å; V18-Y75 CarbonylContact O-C 3.37Å; V18-Y75 WeakPolarHBondContact O-CA 3.42Å; K19-Y75 HydrophobicContact CB-CD1 4.33Å; K19-Y75 HydrophobicContact CB-CE1 4.09Å; K19-Y75 HydrophobicContact CD-CE1 4.24Å; K19-Y75 HydrophobicContact CG-CE1 3.98Å; K19-Y75 HydrophobicContact CG-CE2 4.49Å; I29-Y75 HydrophobicContact CD1-CD1 3.63Å; I29-Y75 HydrophobicContact CD1-CE1 3.76Å; L62-Y75 HydrophobicContact CD2-CD1 4.06Å; L64-Y75 HydrophobicContact CD1-CD1 3.99Å; L64-Y75 HydrophobicContact CD1-CE1 3.45Å; L64-Y75 VanDerWaalsContact CD1-CE1 3.45Å; L64-Y75 HydrophobicContact CD1-CE2 4.49Å; D71-Y75 WeakPolarHBondContact O-CE2 3.33Å; D71-Y75 PolarHBondContact O-OH 3.41Å; A73-Y75 HydrophobicContact CB-CD2 4.36Å; A73-Y75 HydrophobicContact CB-CE2 3.78Å; A73-Y75 WeakPolarHBondContact O-CD2 3.38Å; Y75-G87 CarbonylContact O-C 3.57Å; Y75-G87 WeakPolarHBondContact O-CA 3.34Å; Y75-T88 PolarHBondContact N-O 2.88Å; Y75-T88 PolarHBondContact O-N 2.76Å; Y75-L90 HydrophobicContact CD2-CB 3.71Å; Y75-L90 HydrophobicContact CD2-CD2 4.22Å; Y75-L90 HydrophobicContact CE2-CB 3.61Å; Y75-L90 HydrophobicContact CE2-CD2 3.67Å; Y75-L90 HydrophobicContact CE2-CG 4.25Å
76	Y	95.3	Very high	87.8	Confident	43 Å²	43	69 Å²	69	17%	0.169	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	144.9	-177.2	-61	-88	0	0	0	110.8	W17 V18 Q20 V74 W84 G85	W17-Y76 WeakPolarHBondContact CA-O 3.46Å; V18-Y76 PolarHBondContact N-O 3.28Å; V18-Y76 PolarHBondContact O-N 3.01Å; Q20-Y76 HydrophobicContact CB-CD2 4.22Å; Q20-Y76 HydrophobicContact CB-CE2 3.66Å; Q20-Y76 PolarHBondContact OE1-OH 3.48Å; Q20-Y76 VanDerWaalsContact OE1-OH 3.13Å; V74-Y76 HydrophobicContact CB-CE2 3.69Å; V74-Y76 HydrophobicContact CG1-CD2 4.27Å; V74-Y76 HydrophobicContact CG1-CE1 4.03Å; V74-Y76 HydrophobicContact CG1-CE2 3.51Å; V74-Y76 WeakPolarHBondContact CG1-OH 3.3Å; Y76-W84 HydrophobicContact CD1-CE3 4.12Å; Y76-W84 HydrophobicContact CD2-CE3 4.47Å; Y76-W84 HydrophobicContact CD2-CZ3 4.27Å; Y76-W84 AromaticContact CG-CE3 3.82Å; Y76-W84 HydrophobicContact CG-CE3 3.82Å; Y76-W84 HydrophobicContact CG-CZ3 4.01Å; Y76-G85 WeakPolarHBondContact CD1-O 3.47Å
77	C	94.1	Very high	87.9	Confident	10 Å²	10	65.3 Å²	65.3	7%	0.068	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	146.3	160.3	52.2	0	0	0	0	109.1	C3 Y5 M15 H16 W17 G85	C3-C77 HydrophobicContact CB-CB 3.44Å; C3-C77 VanDerWaalsContact CB-CB 3.44Å; C3-C77 WeakPolarHBondContact CB-SG 3.29Å; C3-C77 WeakPolarHBondContact SG-CB 3.35Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 2.92Å; Y5-C77 WeakPolarHBondContact OH-CB 3.35Å; M15-C77 HydrophobicContact SD-CB 4.26Å; H16-C77 CarbonylContact O-C 3.45Å; H16-C77 VanDerWaalsContact O-CA 3.28Å; H16-C77 WeakPolarHBondContact O-CA 3.47Å; W17-C77 HydrophobicContact CD2-CB 4.47Å; W17-C77 HydrophobicContact CE3-CB 4.21Å; W17-C77 HydrophobicContact CH2-CB 4.15Å; W17-C77 HydrophobicContact CZ2-CB 4.39Å; W17-C77 HydrophobicContact CZ3-CB 4.05Å; C77-G85 PolarHBondContact O-N 3.26Å
78	A	91.8	Very high	88.1	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	144.7	176.8	0	0	0	0	0	111.8	H16 S83 W84	H16-A78 HydrophobicContact CB-CB 4.49Å; H16-A78 WeakPolarHBondContact CB-O 3.17Å; H16-A78 PolarHBondContact N-O 3.34Å; H16-A78 PolarHBondContact O-N 3.44Å; A78-S83 CarbonylContact C-O 3.59Å; A78-S83 WeakPolarHBondContact CA-O 3.25Å; A78-S83 WeakPolarHBondContact CB-O 3.21Å; A78-W84 HydrophobicContact CB-CD2 4.12Å; A78-W84 HydrophobicContact CB-CG 4.29Å
79	N	86.2	Confident	88.3	Confident	20 Å²	20	68 Å²	68	11%	0.107	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.1	166.3	65.2	-53.9	0	0	0	109.2	Y5 F8 T13 M15 F81 S83	Y5-N79 HydrophobicContact CE1-CB 4.39Å; F8-N79 HydrophobicContact CZ-CB 4.42Å; F8-N79 WeakPolarHBondContact CZ-ND2 3.35Å; T13-N79 HydrophobicContact CG2-CB 4.02Å; M15-N79 HydrophobicContact CE-CB 4.3Å; N79-F81 PolarHBondContact O-N 3.05Å; N79-S83 PolarHBondContact N-O 2.79Å; N79-S83 PolarHBondContact O-N 2.86Å; N79-S83 WeakPolarHBondContact OD1-CB 3.09Å; N79-S83 PolarHBondContact OD1-O 2.93Å
80	W	70.9	Confident	88.4	Confident	193 Å²	193	66.1 Å²	66.1	73%	0.731	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	19.7	176.9	-117.9	-42.3	0	0	0	116.3	D82	W80-D82 PolarHBondContact O-N 3.1Å
81	F	65.9	Low	88.6	Confident	117 Å²	117	64.5 Å²	64.5	51%	0.513	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	-14.7	-177.5	-59.3	-76.9	0	0	0	117.3	H16 N79 W84	H16-F81 AromaticContact CE1-CE2 3.76Å; H16-F81 AromaticContact CE1-CZ 3.41Å; H16-F81 VanDerWaalsContact CE1-CZ 3.41Å; H16-F81 WeakPolarHBondContact CE1-CZ 3.36Å; H16-F81 AromaticContact ND1-CE1 3.82Å; H16-F81 AromaticContact ND1-CZ 3.45Å; H16-F81 WeakPolarHBondContact ND1-CZ 3.5Å; N79-F81 PolarHBondContact O-N 3.05Å; F81-W84 PolarHBondContact O-NE1 2.8Å
82	D	70.7	Confident	88.5	Confident	150 Å²	150	65.8 Å²	65.8	80%	0.802	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-18	178.5	-65.7	-30.8	0	0	0	113.5	W80	W80-D82 PolarHBondContact O-N 3.1Å
83	S	81.7	Confident	88.2	Confident	62 Å²	62	68.1 Å²	68.1	43%	0.434	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115.4	-177.6	-73.9	0	0	0	0	110.6	A78 N79	A78-S83 CarbonylContact C-O 3.59Å; A78-S83 WeakPolarHBondContact CA-O 3.25Å; A78-S83 WeakPolarHBondContact CB-O 3.21Å; N79-S83 PolarHBondContact N-O 2.79Å; N79-S83 PolarHBondContact O-N 2.86Å; N79-S83 WeakPolarHBondContact OD1-CB 3.09Å; N79-S83 PolarHBondContact OD1-O 2.93Å
84	W	89.2	Confident	87.4	Confident	106 Å²	106	73.4 Å²	73.4	40%	0.402	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	141.8	-175.7	-68.6	67	0	0	0	110.9	V18 L26 Y76 A78 F81	V18-W84 HydrophobicContact CB-CH2 4.06Å; V18-W84 HydrophobicContact CB-CZ3 3.9Å; V18-W84 HydrophobicContact CG1-CH2 3.95Å; V18-W84 HydrophobicContact CG1-CZ3 4.03Å; V18-W84 HydrophobicContact CG2-CH2 3.86Å; V18-W84 HydrophobicContact CG2-CZ3 4.08Å; L26-W84 HydrophobicContact CD1-CH2 3.82Å; L26-W84 HydrophobicContact CD1-CZ2 4.38Å; L26-W84 HydrophobicContact CD1-CZ3 4.47Å; L26-W84 HydrophobicContact CD2-CH2 4.07Å; L26-W84 HydrophobicContact CD2-CZ3 4.01Å; L26-W84 HydrophobicContact CG-CH2 4.5Å; Y76-W84 HydrophobicContact CD1-CE3 4.12Å; Y76-W84 HydrophobicContact CD2-CE3 4.47Å; Y76-W84 HydrophobicContact CD2-CZ3 4.27Å; Y76-W84 AromaticContact CG-CE3 3.82Å; Y76-W84 HydrophobicContact CG-CE3 3.82Å; Y76-W84 HydrophobicContact CG-CZ3 4.01Å; A78-W84 HydrophobicContact CB-CD2 4.12Å; A78-W84 HydrophobicContact CB-CG 4.29Å; F81-W84 PolarHBondContact O-NE1 2.8Å
85	G	89.9	Confident	86	Confident	25 Å²	25	76.4 Å²	76.4	26%	0.258	43%	0.43	S	S	.	.			trans	-68.1	165.8	165	0	0	0	0	0	111.5	Y76 C77 G87	Y76-G85 WeakPolarHBondContact CD1-O 3.47Å; C77-G85 PolarHBondContact O-N 3.26Å; G85-G87 PolarHBondContact O-N 2.8Å
86	Q	91.3	Very high	84.1	Confident	190 Å²	190	85.1 Å²	85.1	89%	0.888	47%	0.468	S	S	*	.			trans	-61.1	-17.7	177.6	-66.4	-64.7	-30	0	0	113.6
87	G	92.7	Very high	82.3	Confident	25 Å²	25	89.5 Å²	89.5	26%	0.258	50%	0.499	S	S	.	.			trans	83.2	162.4	-175.1	0	0	0	0	0	112.5	Y75 G85	Y75-G87 CarbonylContact O-C 3.57Å; Y75-G87 WeakPolarHBondContact O-CA 3.34Å; G85-G87 PolarHBondContact O-N 2.8Å
88	T	94.6	Very high	80.7	Confident	72 Å²	72	94 Å²	94	44%	0.442	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	121.1	174.5	-60	0	0	0	0	109.1	L1 Y75 L90	L1-T88 HydrophobicContact CD2-CG2 3.61Å; Y75-T88 PolarHBondContact N-O 2.88Å; Y75-T88 PolarHBondContact O-N 2.76Å; T88-L90 PolarHBondContact O-N 3.48Å
89	T	94.4	Very high	79.6	Confident	100 Å²	100	99 Å²	99	61%	0.613	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72.9	121	174.6	-53.4	0	0	0	0	109.5
90	L	91.6	Very high	78.2	Confident	47 Å²	47	103.7 Å²	103.7	25%	0.246	59%	0.59	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.4	118.4	173.2	-176.6	67.7	0	0	0	108.1	L64 L67 T72 A73 Y75 T88 V92	L64-L90 HydrophobicContact CD1-CD2 3.83Å; L67-L90 HydrophobicContact CD1-CD2 3.81Å; L67-L90 HydrophobicContact CD2-CD2 4.5Å; T72-L90 VanDerWaalsContact CA-O 3.25Å; T72-L90 WeakPolarHBondContact CA-O 3.49Å; A73-L90 PolarHBondContact N-O 3.42Å; A73-L90 VanDerWaalsContact N-O 3.08Å; A73-L90 PolarHBondContact O-N 3.34Å; Y75-L90 HydrophobicContact CD2-CB 3.71Å; Y75-L90 HydrophobicContact CD2-CD2 4.22Å; Y75-L90 HydrophobicContact CE2-CB 3.61Å; Y75-L90 HydrophobicContact CE2-CD2 3.67Å; Y75-L90 HydrophobicContact CE2-CG 4.25Å; T88-L90 PolarHBondContact O-N 3.48Å; L90-V92 HydrophobicContact CG-CG2 4.47Å
91	T	91.6	Very high	78	Confident	100 Å²	100	98.4 Å²	98.4	61%	0.613	58%	0.583	S	S	*	*			trans	-110.9	123.1	177.3	-55.2	0	0	0	0	109.5	T72	T72-T91 HydrophobicContact CG2-CG2 4.23Å
92	V	88	Confident	78.2	Confident	36 Å²	36	98.9 Å²	98.9	22%	0.218	60%	0.595	C	S	.	*			trans	-109.1	105.7	179.5	-174.5	0	0	0	0	108.2	L67 T68 T72 L90	L67-V92 HydrophobicContact CB-CG1 4.25Å; L67-V92 HydrophobicContact CB-CG2 3.96Å; L67-V92 HydrophobicContact CD1-CG2 4.2Å; T68-V92 WeakPolarHBondContact O-CB 3.47Å; T68-V92 WeakPolarHBondContact O-CG1 3.35Å; T72-V92 PolarHBondContact OG1-N 2.84Å; L90-V92 HydrophobicContact CG-CG2 4.47Å
93	S	85.1	Confident	78.2	Confident	97 Å²	97	101.3 Å²	101.3	68%	0.678	59%	0.594	S	S	*	*			trans	-118.2	143	176.2	59.6	0	0	0	0	110.5	A95	S93-A95 PolarHBondContact O-N 2.85Å
94	S	78.4	Confident	77.5	Confident	116 Å²	116	103.9 Å²	103.9	81%	0.811	61%	0.61	S	S	*	*			trans	-62.9	123.3	167.7	57.8	0	0	0	0	109.5	K96	S94-K96 PolarHBondContact O-N 3.09Å
95	A	66.6	Low	75.9	Confident	92 Å²	92	107.1 Å²	107.1	76%	0.76	63%	0.634	S	S	*	*			trans	-65.7	123	169.4	0	0	0	0	0	109	S93 T97	S93-A95 PolarHBondContact O-N 2.85Å; A95-T97 PolarHBondContact O-N 2.78Å
96	K	56	Low	74.8	Confident	186 Å²	186	110.2 Å²	110.2	81%	0.809	66%	0.657	S	S	*	*			trans	-81.2	104.4	168.7	-167.3	177	-176	-179	0	107.5	S94 T98	S94-K96 PolarHBondContact O-N 3.09Å; K96-T98 VanDerWaalsContact C-N 3.27Å; K96-T98 PolarHBondContact O-N 3.3Å
97	T	57.8	Low	73.5	Confident	135 Å²	135	107 Å²	107	83%	0.828	65%	0.653	S	S	*	*			trans	-69.5	87.3	170.4	34.2	0	0	0	0	108.7	A95 P99	A95-T97 PolarHBondContact O-N 2.78Å; T97-P99 WeakPolarHBondContact O-CD 3.09Å
98	T	59.8	Low	71.8	Confident	106 Å²	106	109.5 Å²	109.5	65%	0.65	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-81.2	118.6	171.6	-41.2	0	0	0	0	106.9	K96	K96-T98 VanDerWaalsContact C-N 3.27Å; K96-T98 PolarHBondContact O-N 3.3Å
99	P	68.4	Low	70.1	Confident	105 Å²	105	112.1 Å²	112.1	68%	0.682	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-59.5	143.2	176.2	21.5	-29.7	0	0	0	110	T97 S101	T97-P99 WeakPolarHBondContact O-CD 3.09Å; P99-S101 PolarHBondContact O-N 2.96Å
100	P	57.2	Low	68.2	Low	117 Å²	117	112.2 Å²	112.2	76%	0.76	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-61	129	176.5	24.8	-31.8	0	0	0	109.4	V102	P100-V102 PolarHBondContact O-N 3.1Å
101	S	67.8	Low	66.2	Low	83 Å²	83	118.3 Å²	118.3	58%	0.58	77%	0.768	S	S	*	*			trans	-74.3	110.9	175.3	-167.2	0	0	0	0	108.9	P99 Y103	P99-S101 PolarHBondContact O-N 2.96Å; S101-Y103 WeakPolarHBondContact OG-CE2 3.38Å; S101-Y103 VanDerWaalsContact OG-CZ 3.3Å; S101-Y103 PolarHBondContact OG-OH 2.91Å
102	V	68.6	Low	65	Low	126 Å²	126	119.3 Å²	119.3	76%	0.764	78%	0.776	S	S	*	*			trans	-97.3	108.9	174.7	-176.3	0	0	0	0	107.6	P100 P104	P100-V102 PolarHBondContact O-N 3.1Å; V102-P104 WeakPolarHBondContact O-CD 3.31Å
103	Y	72.1	Confident	63.7	Low	201 Å²	201	123.6 Å²	123.6	79%	0.788	81%	0.805	S	S	*	*			trans	-92.7	111.3	171.7	-66.4	-82.3	0	0	0	109	S101	S101-Y103 WeakPolarHBondContact OG-CE2 3.38Å; S101-Y103 VanDerWaalsContact OG-CZ 3.3Å; S101-Y103 PolarHBondContact OG-OH 2.91Å
104	P	67.3	Low	62.6	Low	116 Å²	116	125.1 Å²	125.1	75%	0.753	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70.8	131.9	171.9	27.6	-31.1	0	0	0	109.9	V102 A106	V102-P104 WeakPolarHBondContact O-CD 3.31Å; P104-A106 PolarHBondContact O-N 2.59Å
105	L	53.7	Low	61.6	Low	174 Å²	174	125.6 Å²	125.6	91%	0.911	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-73.5	117.5	169	-75.8	166.1	0	0	0	108.7
106	A	67.6	Low	61.3	Low	90 Å²	90	127.8 Å²	127.8	74%	0.744	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-72	130.8	172	0	0	0	0	0	109.8	P104 G108	P104-A106 PolarHBondContact O-N 2.59Å; A106-G108 PolarHBondContact O-N 2.89Å
107	P	63.3	Low	61.7	Low	124 Å²	124	123.9 Å²	123.9	81%	0.805	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-65.2	118.1	168.8	-14.6	28.2	0	0	0	108.9	S109	P107-S109 PolarHBondContact O-N 2.65Å
108	G	57.1	Low	62	Low	76 Å²	76	123.1 Å²	123.1	78%	0.784	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-64.4	124	171.2	0	0	0	0	0	110.1	A106 A110	A106-G108 PolarHBondContact O-N 2.89Å; G108-A110 PolarHBondContact O-N 3.22Å
109	S	60	Low	62.1	Low	128 Å²	128	124.4 Å²	124.4	90%	0.895	83%	0.827	S	S	*	*			trans	-64.5	115.7	168.7	-62.6	0	0	0	0	109.4	P107	P107-S109 PolarHBondContact O-N 2.65Å
110	A	53.8	Low	61.6	Low	101 Å²	101	126 Å²	126	84%	0.835	84%	0.839	S	S	*	*			trans	-80.9	134.8	162.3	0	0	0	0	0	108.8	G108	G108-A110 PolarHBondContact O-N 3.22Å
111	A	50.5	Low	62	Low	176 Å²	176	126.8 Å²	126.8	100%	1.455	85%	0.847	S	S	*	*			trans	-67.7	0	-179.4	0	0	0	0	0	113.5

Retrieved 111 of 111 residues in 21.1 ms (Link to these results)

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