X5J5N3_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5N3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 102 aa.

						>X5J5N3_MOUSE|X5J5N3
PGASVTLSCKASGYTFTDYEMHWVKQTPVHGLEWIGAIDPETGGTAYNQKFKGKAILTADKSSSTAYMELRSLTSEDSAVYYCTSITTVDYWGQGTTLTVSS
					

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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	P	60.1	Low	90.5	Very high	135 Å²	135	65.4 Å²	65.4	88%	0.877	42%	0.424	S	S	*	.				0	128.7	0	2.2	20	0	0	0	110.8	L73	P1-L73 VanDerWaalsContact CA-O 3.25Å; P1-L73 WeakPolarHBondContact CA-O 3.24Å
2	G	79.9	Confident	90.3	Very high	47 Å²	47	67.8 Å²	67.8	49%	0.485	44%	0.443	S	S	.	.			trans	125.4	-8.2	-173.7	0	0	0	0	0	115.3	L73	G2-L73 PolarHBondContact N-O 2.86Å
3	A	89.1	Confident	90	Very high	69 Å²	69	68.6 Å²	68.6	57%	0.57	47%	0.472	S	S	*	.			trans	-69.2	153.8	171.9	0	0	0	0	0	110.5	S72 L73	A3-S72 PolarHBondContact O-N 3.43Å; A3-L73 WeakPolarHBondContact O-CB 3.45Å; A3-L73 WeakPolarHBondContact O-CG 3.44Å; A3-L73 PolarHBondContact O-N 3.27Å
4	S	94.8	Very high	89.7	Confident	64 Å²	64	67.6 Å²	67.6	45%	0.448	45%	0.454	S	S	.	.			trans	-114.3	150	171.1	-57.1	0	0	0	0	109.9	L70	S4-L70 CarbonylContact C-O 3.55Å; S4-L70 WeakPolarHBondContact CA-O 3.41Å; S4-L70 WeakPolarHBondContact CB-O 3.37Å
5	V	96.3	Very high	89.8	Confident	42 Å²	42	68.2 Å²	68.2	26%	0.255	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	144.9	171.9	73.2	0	0	0	0	109.6	E69 L70 L73 L98	V5-E69 CarbonylContact O-C 3.52Å; V5-E69 WeakPolarHBondContact O-CA 3.39Å; V5-L70 HydrophobicContact CG1-CB 4.23Å; V5-L70 PolarHBondContact N-O 3.01Å; V5-L70 PolarHBondContact O-N 2.79Å; V5-L73 HydrophobicContact CB-CD1 4.12Å; V5-L73 HydrophobicContact CG1-CD1 3.82Å; V5-L98 HydrophobicContact CG1-CD1 4.05Å; V5-L98 HydrophobicContact CG1-CD2 3.85Å
6	T	97.8	Very high	89.9	Confident	84 Å²	84	64.3 Å²	64.3	52%	0.515	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.4	172.6	-56.1	0	0	0	0	109.3	Y67 M68	T6-Y67 HydrophobicContact CG2-CD1 4.1Å; T6-M68 WeakPolarHBondContact CA-O 3.42Å
7	L	97.6	Very high	90.1	Very high	18 Å²	18	62.8 Å²	62.8	9%	0.094	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	143	169.5	-56.3	-177.4	0	0	0	108.9	W23 Y67 M68 Y81 T96	L7-W23 HydrophobicContact CB-CH2 4.02Å; L7-W23 HydrophobicContact CB-CZ3 3.86Å; L7-Y67 CarbonylContact O-C 3.56Å; L7-Y67 VanDerWaalsContact O-CA 3.23Å; L7-Y67 WeakPolarHBondContact O-CA 3.44Å; L7-M68 HydrophobicContact CD1-CE 3.73Å; L7-M68 PolarHBondContact N-O 2.98Å; L7-M68 PolarHBondContact O-N 3.18Å; L7-Y81 VanDerWaalsContact CD1-CB 3.49Å; L7-Y81 HydrophobicContact CD1-CD1 4.23Å; L7-Y81 HydrophobicContact CD1-CD2 4.16Å; L7-Y81 HydrophobicContact CD1-CG 3.7Å; L7-T96 HydrophobicContact CD2-CG2 4.36Å
8	S	97.4	Very high	90.2	Very high	81 Å²	81	64.9 Å²	64.9	57%	0.566	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	146.8	175.7	61.5	0	0	0	0	110.7	A66	S8-A66 CarbonylContact C-O 3.56Å; S8-A66 WeakPolarHBondContact CA-O 3.43Å
9	C	95.9	Very high	90.2	Very high	14 Å²	14	65.6 Å²	65.6	10%	0.095	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	111.5	175.9	178.2	0	0	0	0	109.3	W23 T65 A66 C83	C9-W23 HydrophobicContact CB-CH2 3.69Å; C9-W23 HydrophobicContact CB-CZ2 3.9Å; C9-W23 HydrophobicContact CB-CZ3 4.47Å; C9-T65 CarbonylContact O-C 3.58Å; C9-T65 WeakPolarHBondContact O-CA 3.38Å; C9-A66 PolarHBondContact N-O 2.78Å; C9-A66 PolarHBondContact O-N 2.95Å; C9-C83 HydrophobicContact CB-CB 3.47Å; C9-C83 VanDerWaalsContact CB-CB 3.47Å; C9-C83 WeakPolarHBondContact CB-SG 3.4Å; C9-C83 WeakPolarHBondContact SG-CB 3.5Å; C9-C83 CovalentContact SG-SG 2.02Å; C9-C83 PolarHBondContact SG-SG 2.84Å
10	K	95.1	Very high	90.3	Very high	154 Å²	154	66.9 Å²	66.9	67%	0.67	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	121	178.7	-173.2	173.7	-176.6	177.3	0	109.9
11	A	91.6	Very high	90.5	Very high	11 Å²	11	63.8 Å²	63.8	9%	0.091	40%	0.398	C	S	.	.			trans	-71.7	145.1	174.7	0	0	0	0	0	111	Y14 F16 M21 S64	A11-Y14 HydrophobicContact CB-CE1 4.12Å; A11-Y14 HydrophobicContact CB-CE2 3.9Å; A11-Y14 WeakPolarHBondContact CB-OH 3.41Å; A11-F16 HydrophobicContact CB-CB 4.08Å; A11-F16 HydrophobicContact CB-CD2 3.41Å; A11-F16 VanDerWaalsContact CB-CD2 3.41Å; A11-F16 HydrophobicContact CB-CE2 4.17Å; A11-F16 HydrophobicContact CB-CG 4.06Å; A11-M21 HydrophobicContact CB-CE 4.33Å; A11-S64 PolarHBondContact N-O 2.74Å
12	S	88.6	Confident	92.2	Very high	94 Å²	94	58 Å²	58	66%	0.657	36%	0.359	S	S	*	.			trans	-151.2	148.2	175.1	66.7	0	0	0	0	110.2	Y14	S12-Y14 VanDerWaalsContact C-N 3.34Å; S12-Y14 VanDerWaalsContact O-CD1 3.3Å; S12-Y14 WeakPolarHBondContact O-CD1 3.31Å
13	G	86.4	Confident	93	Very high	79 Å²	79	56 Å²	56	81%	0.814	34%	0.337	S	S	*	.	S	Bend	trans	84	1.9	179.1	0	0	0	0	0	115.3
14	Y	85.9	Confident	93.3	Very high	55 Å²	55	53.1 Å²	53.1	22%	0.216	31%	0.313	C	S	.	.	S	Bend	trans	-155.4	165.8	176.7	63.1	-92.2	0	0	0	111.6	A11 S12 F16 Y19 M21	A11-Y14 HydrophobicContact CB-CE1 4.12Å; A11-Y14 HydrophobicContact CB-CE2 3.9Å; A11-Y14 WeakPolarHBondContact CB-OH 3.41Å; S12-Y14 VanDerWaalsContact C-N 3.34Å; S12-Y14 VanDerWaalsContact O-CD1 3.3Å; S12-Y14 WeakPolarHBondContact O-CD1 3.31Å; Y14-F16 PolarHBondContact O-N 2.95Å; Y14-Y19 AromaticContact CD2-CD2 3.46Å; Y14-Y19 HydrophobicContact CD2-CD2 3.46Å; Y14-Y19 VanDerWaalsContact CD2-CD2 3.46Å; Y14-Y19 AromaticContact CD2-CE2 3.92Å; Y14-Y19 HydrophobicContact CD2-CE2 3.92Å; Y14-Y19 AromaticContact CE2-CD2 3.88Å; Y14-Y19 HydrophobicContact CE2-CD2 3.88Å; Y14-Y19 HydrophobicContact CG-CD2 4.18Å; Y14-Y19 HydrophobicContact CG-CE2 4.26Å; Y14-M21 WeakPolarHBondContact OH-CE 3.29Å
15	T	90.8	Very high	93.4	Very high	76 Å²	76	50.8 Å²	50.8	47%	0.466	29%	0.294	S	S	.	.			trans	-71.7	110.3	173.3	-53.2	0	0	0	0	109.8	T17 D18	T15-T17 WeakPolarHBondContact CG2-OG1 3.46Å; T15-T17 PolarHBondContact O-N 3.11Å; T15-T17 VanDerWaalsContact O-N 3.14Å; T15-D18 WeakPolarHBondContact CB-OD2 3.42Å; T15-D18 HydrophobicContact CG2-CB 4.47Å; T15-D18 WeakPolarHBondContact CG2-OD1 3.46Å; T15-D18 PolarHBondContact O-N 2.79Å; T15-D18 PolarHBondContact OG1-OD2 2.76Å
16	F	91.8	Very high	93.4	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.026	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-55.6	-35.1	-172.6	176.7	-125.8	0	0	0	114.3	A11 Y14 D18 M21 P40 A59 S64 A66	A11-F16 HydrophobicContact CB-CB 4.08Å; A11-F16 HydrophobicContact CB-CD2 3.41Å; A11-F16 VanDerWaalsContact CB-CD2 3.41Å; A11-F16 HydrophobicContact CB-CE2 4.17Å; A11-F16 HydrophobicContact CB-CG 4.06Å; Y14-F16 PolarHBondContact O-N 2.95Å; F16-D18 VanDerWaalsContact C-N 3.32Å; F16-D18 PolarHBondContact O-N 3.18Å; F16-M21 HydrophobicContact CD2-CE 4.32Å; F16-M21 HydrophobicContact CE2-CE 3.81Å; F16-P40 HydrophobicContact CD1-CB 3.78Å; F16-P40 HydrophobicContact CD1-CG 4.3Å; F16-P40 HydrophobicContact CD2-CB 4.42Å; F16-P40 HydrophobicContact CD2-CG 4.06Å; F16-P40 HydrophobicContact CE1-CB 3.46Å; F16-P40 VanDerWaalsContact CE1-CB 3.46Å; F16-P40 HydrophobicContact CE1-CG 3.95Å; F16-P40 HydrophobicContact CE2-CB 4.13Å; F16-P40 HydrophobicContact CE2-CG 3.65Å; F16-P40 HydrophobicContact CG-CB 4.28Å; F16-P40 HydrophobicContact CG-CG 4.39Å; F16-P40 HydrophobicContact CZ-CB 3.65Å; F16-P40 HydrophobicContact CZ-CG 3.6Å; F16-P40 WeakPolarHBondContact O-CG 3.47Å; F16-A59 HydrophobicContact CE1-CB 4.15Å; F16-A59 HydrophobicContact CZ-CB 4.05Å; F16-S64 VanDerWaalsContact CD1-CA 3.47Å; F16-A66 HydrophobicContact CE2-CB 4.26Å; F16-A66 HydrophobicContact CZ-CB 4.02Å
17	T	93.4	Very high	93.2	Very high	38 Å²	38	49 Å²	49	23%	0.233	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-77.5	-12.9	-178.8	49.5	0	0	0	0	114.2	T15 Y19 E41 K61	T15-T17 WeakPolarHBondContact CG2-OG1 3.46Å; T15-T17 PolarHBondContact O-N 3.11Å; T15-T17 VanDerWaalsContact O-N 3.14Å; T17-Y19 PolarHBondContact O-N 3.11Å; T17-E41 WeakPolarHBondContact CB-OE2 3.45Å; T17-E41 WeakPolarHBondContact CG2-OE2 3.48Å; T17-E41 WeakPolarHBondContact O-CB 3.47Å; T17-K61 HydrophobicContact CG2-CD 4.14Å; T17-K61 HydrophobicContact CG2-CG 4.13Å
18	D	91.2	Very high	92.6	Very high	102 Å²	102	54.5 Å²	54.5	55%	0.545	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-79.4	-11	-177.9	-67.1	-4.3	0	0	0	112.2	T15 F16	T15-D18 WeakPolarHBondContact CB-OD2 3.42Å; T15-D18 HydrophobicContact CG2-CB 4.47Å; T15-D18 WeakPolarHBondContact CG2-OD1 3.46Å; T15-D18 PolarHBondContact O-N 2.79Å; T15-D18 PolarHBondContact OG1-OD2 2.76Å; F16-D18 VanDerWaalsContact C-N 3.32Å; F16-D18 PolarHBondContact O-N 3.18Å
19	Y	89.6	Confident	92.1	Very high	77 Å²	77	56.4 Å²	56.4	30%	0.302	32%	0.323	S	S	.	.	S	Bend	trans	-141.4	144.1	-171.7	-52.7	-63.4	0	0	0	113.3	Y14 T17 P40 S85 T87	Y14-Y19 AromaticContact CD2-CD2 3.46Å; Y14-Y19 HydrophobicContact CD2-CD2 3.46Å; Y14-Y19 VanDerWaalsContact CD2-CD2 3.46Å; Y14-Y19 AromaticContact CD2-CE2 3.92Å; Y14-Y19 HydrophobicContact CD2-CE2 3.92Å; Y14-Y19 AromaticContact CE2-CD2 3.88Å; Y14-Y19 HydrophobicContact CE2-CD2 3.88Å; Y14-Y19 HydrophobicContact CG-CD2 4.18Å; Y14-Y19 HydrophobicContact CG-CE2 4.26Å; T17-Y19 PolarHBondContact O-N 3.11Å; Y19-P40 WeakPolarHBondContact O-CD 3.21Å; Y19-P40 WeakPolarHBondContact O-CG 3.36Å; Y19-S85 WeakPolarHBondContact CB-OG 3.45Å; Y19-T87 HydrophobicContact CD1-CG2 3.17Å; Y19-T87 WeakPolarHBondContact CD1-OG1 2.93Å; Y19-T87 HydrophobicContact CE1-CG2 3.3Å; Y19-T87 WeakPolarHBondContact CE1-OG1 3.2Å; Y19-T87 HydrophobicContact CG-CG2 4.37Å
20	E	93.1	Very high	91.5	Very high	92 Å²	92	62.1 Å²	62.1	43%	0.43	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-67.5	138.9	170.4	-63.8	-174.9	169.5	0	0	111.2	H22 I38 D39	E20-H22 WeakPolarHBondContact CB-NE2 3.41Å; E20-H22 PolarHBondContact O-CD2 3.25Å; E20-H22 IonicContact OE2-CE1 2.67Å; E20-H22 IonicContact OE2-NE2 3.89Å; E20-H22 PolarHBondContact OE2-NE2 3.12Å; E20-I38 WeakPolarHBondContact CA-O 3.25Å; E20-D39 HydrophobicContact CG-CB 4.15Å
21	M	94.4	Very high	91.3	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	116.5	170.9	-174	67.8	66.9	0	0	109.9	A11 Y14 F16 A37 I38 A66 C83	A11-M21 HydrophobicContact CB-CE 4.33Å; Y14-M21 WeakPolarHBondContact OH-CE 3.29Å; F16-M21 HydrophobicContact CD2-CE 4.32Å; F16-M21 HydrophobicContact CE2-CE 3.81Å; M21-A37 CarbonylContact O-C 3.53Å; M21-A37 VanDerWaalsContact O-CA 3.24Å; M21-A37 WeakPolarHBondContact O-CA 3.31Å; M21-I38 HydrophobicContact CB-CG2 4.07Å; M21-I38 PolarHBondContact N-O 2.67Å; M21-I38 PolarHBondContact O-N 2.68Å; M21-A66 HydrophobicContact CB-CB 3.92Å; M21-A66 HydrophobicContact CE-CB 4.49Å; M21-A66 HydrophobicContact CG-CB 3.58Å; M21-C83 HydrophobicContact CG-CB 4.42Å; M21-C83 HydrophobicContact SD-CB 3.77Å
22	H	95.2	Very high	91.4	Very high	12 Å²	12	60.4 Å²	60.4	6%	0.056	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	144.4	178.3	-63.8	-103.1	0	0	0	110.6	E20 W34 G36 A37 C83 T84 I86	E20-H22 WeakPolarHBondContact CB-NE2 3.41Å; E20-H22 PolarHBondContact O-CD2 3.25Å; E20-H22 IonicContact OE2-CE1 2.67Å; E20-H22 IonicContact OE2-NE2 3.89Å; E20-H22 PolarHBondContact OE2-NE2 3.12Å; H22-W34 AromaticContact CG-NE1 3.89Å; H22-W34 AromaticContact ND1-CE2 3.94Å; H22-W34 AromaticContact ND1-NE1 3.18Å; H22-W34 PolarHBondContact ND1-NE1 3.08Å; H22-W34 VanDerWaalsContact ND1-NE1 3.18Å; H22-G36 WeakPolarHBondContact CA-O 3.32Å; H22-A37 VanDerWaalsContact CE1-CB 3.42Å; H22-A37 WeakPolarHBondContact CE1-CB 3.41Å; H22-A37 WeakPolarHBondContact ND1-CB 3.29Å; H22-C83 CarbonylContact O-C 3.55Å; H22-C83 WeakPolarHBondContact O-CA 3.41Å; H22-T84 HydrophobicContact CB-CG2 3.76Å; H22-T84 PolarHBondContact N-O 3.34Å; H22-T84 PolarHBondContact O-N 3.36Å; H22-I86 VanDerWaalsContact CD2-CG1 3.46Å; H22-I86 WeakPolarHBondContact CD2-CG1 3.36Å; H22-I86 VanDerWaalsContact CE1-CD1 3.41Å; H22-I86 WeakPolarHBondContact CE1-CD1 3.43Å; H22-I86 WeakPolarHBondContact ND1-CD1 3.48Å; H22-I86 WeakPolarHBondContact NE2-CB 3.43Å
23	W	96.7	Very high	91.7	Very high	6 Å²	6	57.2 Å²	57.2	2%	0.023	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.9	174.8	-69	89.8	0	0	0	110.4	L7 C9 I35 G36 L57 A66 M68 Y82 C83	L7-W23 HydrophobicContact CB-CH2 4.02Å; L7-W23 HydrophobicContact CB-CZ3 3.86Å; C9-W23 HydrophobicContact CB-CH2 3.69Å; C9-W23 HydrophobicContact CB-CZ2 3.9Å; C9-W23 HydrophobicContact CB-CZ3 4.47Å; W23-I35 HydrophobicContact CB-CB 4.14Å; W23-I35 HydrophobicContact CB-CD1 4.31Å; W23-I35 WeakPolarHBondContact O-CB 3.36Å; W23-I35 PolarHBondContact O-N 3.44Å; W23-G36 PolarHBondContact N-O 2.91Å; W23-L57 HydrophobicContact CG-CD2 4.15Å; W23-A66 HydrophobicContact CZ2-CB 4.25Å; W23-M68 HydrophobicContact CB-SD 3.84Å; W23-M68 HydrophobicContact CD2-CB 3.71Å; W23-M68 HydrophobicContact CD2-CE 4.23Å; W23-M68 HydrophobicContact CD2-CG 4.49Å; W23-M68 HydrophobicContact CD2-SD 4.09Å; W23-M68 HydrophobicContact CE3-CB 3.99Å; W23-M68 HydrophobicContact CE3-CE 3.74Å; W23-M68 HydrophobicContact CE3-SD 4.22Å; W23-M68 HydrophobicContact CG-CB 4.19Å; W23-M68 HydrophobicContact CG-SD 3.96Å; W23-M68 HydrophobicContact CH2-CB 4.16Å; W23-M68 HydrophobicContact CZ2-CB 3.91Å; W23-M68 HydrophobicContact CZ3-CB 4.2Å; W23-M68 HydrophobicContact CZ3-CE 4.3Å; W23-Y82 WeakPolarHBondContact CA-O 3.46Å; W23-C83 HydrophobicContact CD2-CB 4.45Å; W23-C83 HydrophobicContact CE3-CB 4.24Å; W23-C83 HydrophobicContact CH2-CB 4.45Å; W23-C83 HydrophobicContact CZ3-CB 4.24Å
24	V	96.1	Very high	92.2	Very high	9 Å²	9	57.9 Å²	57.9	6%	0.055	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	132.7	-175.3	-176.1	0	0	0	0	109.7	L32 E33 Y81 Y82 W92	V24-L32 HydrophobicContact CG1-CB 3.92Å; V24-L32 HydrophobicContact CG1-CD2 3.85Å; V24-L32 HydrophobicContact CG1-CG 4.41Å; V24-E33 WeakPolarHBondContact CA-O 3.41Å; V24-Y81 CarbonylContact O-C 3.59Å; V24-Y81 WeakPolarHBondContact O-CA 3.16Å; V24-Y82 PolarHBondContact N-O 3.11Å; V24-Y82 PolarHBondContact O-N 2.81Å; V24-W92 HydrophobicContact CB-CH2 4.32Å; V24-W92 HydrophobicContact CB-CZ3 4.1Å; V24-W92 HydrophobicContact CG1-CH2 4.29Å; V24-W92 HydrophobicContact CG1-CZ3 4.3Å; V24-W92 HydrophobicContact CG2-CH2 3.99Å; V24-W92 HydrophobicContact CG2-CZ3 4.14Å
25	K	96.2	Very high	92.7	Very high	15 Å²	15	55.2 Å²	55.2	7%	0.065	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.1	171.6	-176.9	-178.5	-178.9	-175.8	0	108.7	T27 L32 E33 I35 F51 E76 D77 A79 Y81	K25-T27 HydrophobicContact CD-CG2 4.2Å; K25-T27 HydrophobicContact CG-CG2 4.19Å; K25-L32 CarbonylContact O-C 3.41Å; K25-E33 HydrophobicContact CB-CB 4.45Å; K25-E33 PolarHBondContact N-O 3.33Å; K25-E33 PolarHBondContact O-N 3.44Å; K25-I35 HydrophobicContact CB-CD1 3.94Å; K25-I35 HydrophobicContact CB-CG1 4.07Å; K25-F51 HydrophobicContact CB-CZ 4.34Å; K25-F51 HydrophobicContact CD-CE1 3.96Å; K25-F51 HydrophobicContact CD-CZ 3.95Å; K25-E76 PolarHBondContact NZ-O 2.82Å; K25-D77 IonicContact NZ-OD1 2.76Å; K25-A79 HydrophobicContact CD-CB 4.14Å; K25-A79 VanDerWaalsContact CE-CB 3.5Å; K25-A79 HydrophobicContact CG-CB 3.54Å; K25-Y81 HydrophobicContact CB-CD1 4.18Å; K25-Y81 HydrophobicContact CB-CE1 3.89Å; K25-Y81 HydrophobicContact CD-CE1 4.11Å; K25-Y81 HydrophobicContact CG-CD1 4.35Å; K25-Y81 HydrophobicContact CG-CE1 3.77Å
26	Q	96.1	Very high	93	Very high	72 Å²	72	51.6 Å²	51.6	34%	0.336	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.9	171.3	-169.1	-179.2	30.7	0	0	110.1	G31 L32 A79 V80 Y82	Q26-G31 VanDerWaalsContact CA-O 3.31Å; Q26-G31 WeakPolarHBondContact CA-O 3.39Å; Q26-L32 HydrophobicContact CB-CD2 3.76Å; Q26-L32 HydrophobicContact CG-CD2 3.79Å; Q26-A79 VanDerWaalsContact O-CB 3.29Å; Q26-A79 WeakPolarHBondContact O-CB 3.23Å; Q26-V80 HydrophobicContact CB-CB 4.41Å; Q26-V80 PolarHBondContact N-O 3.44Å; Q26-V80 PolarHBondContact O-N 2.82Å; Q26-V80 VanDerWaalsContact O-N 3.11Å; Q26-Y82 HydrophobicContact CB-CD2 4.2Å; Q26-Y82 HydrophobicContact CB-CE2 3.63Å; Q26-Y82 HydrophobicContact CG-CE2 4.43Å; Q26-Y82 VanDerWaalsContact OE1-CE2 3.22Å; Q26-Y82 PolarHBondContact OE1-OH 2.91Å
27	T	93.5	Very high	93.2	Very high	15 Å²	15	51.4 Å²	51.4	9%	0.092	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	149.2	171.1	68.6	0	0	0	0	110.6	K25 V29 H30 G31 A79	K25-T27 HydrophobicContact CD-CG2 4.2Å; K25-T27 HydrophobicContact CG-CG2 4.19Å; T27-V29 PolarHBondContact O-N 2.74Å; T27-H30 WeakPolarHBondContact OG1-CB 3.37Å; T27-H30 PolarHBondContact OG1-N 3.04Å; T27-G31 PolarHBondContact N-O 3.17Å; T27-G31 WeakPolarHBondContact O-CA 3.48Å; T27-G31 PolarHBondContact O-N 2.9Å; T27-A79 HydrophobicContact CG2-CB 4.12Å
28	P	86.8	Confident	93.4	Very high	135 Å²	135	49.8 Å²	49.8	88%	0.877	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.5	174.1	-24.8	34.2	0	0	0	113.6
29	V	85.6	Confident	93.6	Very high	121 Å²	121	46.5 Å²	46.5	73%	0.733	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-45.4	-173.6	-177.1	0	0	0	0	112.2	T27	T27-V29 PolarHBondContact O-N 2.74Å
30	H	83.4	Confident	93.9	Very high	133 Å²	133	43 Å²	43	62%	0.616	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-1.2	-171.6	-57	95.1	0	0	0	113.7	T27 E33	T27-H30 WeakPolarHBondContact OG1-CB 3.37Å; T27-H30 PolarHBondContact OG1-N 3.04Å; H30-E33 HydrophobicContact CB-CG 4.4Å
31	G	91.6	Very high	94	Very high	32 Å²	32	43.4 Å²	43.4	33%	0.33	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	70	-141.5	-177.1	0	0	0	0	0	111.9	Q26 T27	Q26-G31 VanDerWaalsContact CA-O 3.31Å; Q26-G31 WeakPolarHBondContact CA-O 3.39Å; T27-G31 PolarHBondContact N-O 3.17Å; T27-G31 WeakPolarHBondContact O-CA 3.48Å; T27-G31 PolarHBondContact O-N 2.9Å
32	L	93.6	Very high	94.1	Very high	98 Å²	98	48.3 Å²	48.3	51%	0.513	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	123.1	-179.3	-63.5	175	0	0	0	111.2	V24 K25 Q26 W92	V24-L32 HydrophobicContact CG1-CB 3.92Å; V24-L32 HydrophobicContact CG1-CD2 3.85Å; V24-L32 HydrophobicContact CG1-CG 4.41Å; K25-L32 CarbonylContact O-C 3.41Å; Q26-L32 HydrophobicContact CB-CD2 3.76Å; Q26-L32 HydrophobicContact CG-CD2 3.79Å; L32-W92 HydrophobicContact CD1-CH2 4.13Å
33	E	95.2	Very high	94.1	Very high	27 Å²	27	50 Å²	50	13%	0.126	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	116.4	175.3	-65.4	-172.5	95.3	0	0	109.6	V24 K25 H30 I35 K50 F51	V24-E33 WeakPolarHBondContact CA-O 3.41Å; K25-E33 HydrophobicContact CB-CB 4.45Å; K25-E33 PolarHBondContact N-O 3.33Å; K25-E33 PolarHBondContact O-N 3.44Å; H30-E33 HydrophobicContact CB-CG 4.4Å; E33-I35 PolarHBondContact O-N 2.86Å; E33-K50 IonicContact OE1-NZ 2.63Å; E33-K50 PolarHBondContact OE1-NZ 2.94Å; E33-F51 HydrophobicContact CB-CE2 4.4Å; E33-F51 HydrophobicContact CB-CZ 4.44Å
34	W	95.4	Very high	94.1	Very high	92 Å²	92	51.4 Å²	51.4	35%	0.348	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	128.8	174.5	-179.2	72.5	0	0	0	110.7	H22 G36 A37 A46 N48	H22-W34 AromaticContact CG-NE1 3.89Å; H22-W34 AromaticContact ND1-CE2 3.94Å; H22-W34 AromaticContact ND1-NE1 3.18Å; H22-W34 PolarHBondContact ND1-NE1 3.08Å; H22-W34 VanDerWaalsContact ND1-NE1 3.18Å; W34-G36 VanDerWaalsContact CE2-C 3.46Å; W34-G36 PolarHBondContact NE1-O 3.18Å; W34-G36 VanDerWaalsContact NE1-O 3.08Å; W34-A37 HydrophobicContact CZ2-CB 3.87Å; W34-A46 HydrophobicContact CH2-CB 3.97Å; W34-A46 HydrophobicContact CZ2-CB 4.39Å; W34-N48 HydrophobicContact CE3-CB 3.85Å; W34-N48 HydrophobicContact CZ3-CB 4.08Å; W34-N48 WeakPolarHBondContact O-CB 3.09Å; W34-N48 PolarHBondContact O-ND2 2.9Å
35	I	96.9	Very high	94.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-50.5	-177.4	-59.5	175.5	0	0	0	110.1	W23 K25 E33 N48 F51 A55 M68 Y81	W23-I35 HydrophobicContact CB-CB 4.14Å; W23-I35 HydrophobicContact CB-CD1 4.31Å; W23-I35 WeakPolarHBondContact O-CB 3.36Å; W23-I35 PolarHBondContact O-N 3.44Å; K25-I35 HydrophobicContact CB-CD1 3.94Å; K25-I35 HydrophobicContact CB-CG1 4.07Å; E33-I35 PolarHBondContact O-N 2.86Å; I35-N48 PolarHBondContact O-N 2.73Å; I35-F51 HydrophobicContact CB-CD2 4.27Å; I35-F51 HydrophobicContact CB-CG 4.23Å; I35-F51 HydrophobicContact CG1-CD1 4.21Å; I35-F51 HydrophobicContact CG1-CD2 4.26Å; I35-F51 HydrophobicContact CG1-CE1 4.12Å; I35-F51 HydrophobicContact CG1-CE2 4.16Å; I35-F51 HydrophobicContact CG1-CG 4.27Å; I35-F51 HydrophobicContact CG1-CZ 4.09Å; I35-F51 HydrophobicContact CG2-CB 3.71Å; I35-F51 HydrophobicContact CG2-CD1 4.04Å; I35-F51 HydrophobicContact CG2-CD2 4.27Å; I35-F51 HydrophobicContact CG2-CG 3.75Å; I35-A55 HydrophobicContact CG2-CB 3.74Å; I35-M68 HydrophobicContact CB-SD 4.45Å; I35-M68 HydrophobicContact CD1-CE 3.78Å; I35-M68 HydrophobicContact CD1-SD 3.64Å; I35-M68 HydrophobicContact CG2-SD 3.81Å; I35-Y81 HydrophobicContact CD1-CD1 3.71Å; I35-Y81 HydrophobicContact CD1-CE1 3.77Å
36	G	96.8	Very high	94.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.3	177.7	-173.2	0	0	0	0	0	111.9	H22 W23 W34 A46	H22-G36 WeakPolarHBondContact CA-O 3.32Å; W23-G36 PolarHBondContact N-O 2.91Å; W34-G36 VanDerWaalsContact CE2-C 3.46Å; W34-G36 PolarHBondContact NE1-O 3.18Å; W34-G36 VanDerWaalsContact NE1-O 3.08Å; G36-A46 CarbonylContact C-O 3.55Å; G36-A46 WeakPolarHBondContact CA-O 3.38Å
37	A	96.4	Very high	94.3	Very high	2 Å²	2	55.2 Å²	55.2	2%	0.017	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.8	175.6	0	0	0	0	0	110.5	M21 H22 W34 T45 A46 L57	M21-A37 CarbonylContact O-C 3.53Å; M21-A37 VanDerWaalsContact O-CA 3.24Å; M21-A37 WeakPolarHBondContact O-CA 3.31Å; H22-A37 VanDerWaalsContact CE1-CB 3.42Å; H22-A37 WeakPolarHBondContact CE1-CB 3.41Å; H22-A37 WeakPolarHBondContact ND1-CB 3.29Å; W34-A37 HydrophobicContact CZ2-CB 3.87Å; A37-T45 VanDerWaalsContact O-CA 3.3Å; A37-T45 WeakPolarHBondContact O-CA 3.27Å; A37-A46 PolarHBondContact N-O 3.23Å; A37-A46 PolarHBondContact O-N 3.4Å; A37-L57 WeakPolarHBondContact O-CD1 3.3Å
38	I	97	Very high	94.4	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	129.8	168.9	-177.2	164.5	0	0	0	109.3	E20 M21 P40 G44 T45 L57 T58 A59 A66	E20-I38 WeakPolarHBondContact CA-O 3.25Å; M21-I38 HydrophobicContact CB-CG2 4.07Å; M21-I38 PolarHBondContact N-O 2.67Å; M21-I38 PolarHBondContact O-N 2.68Å; I38-P40 VanDerWaalsContact O-CD 3.25Å; I38-P40 WeakPolarHBondContact O-CD 2.9Å; I38-G44 WeakPolarHBondContact CA-O 3.46Å; I38-T45 HydrophobicContact CB-CG2 4.08Å; I38-T45 HydrophobicContact CD1-CG2 4.03Å; I38-T45 HydrophobicContact CG1-CG2 3.93Å; I38-L57 HydrophobicContact CB-CB 4.05Å; I38-L57 HydrophobicContact CD1-CB 4.44Å; I38-L57 HydrophobicContact CG2-CB 4.36Å; I38-T58 VanDerWaalsContact CD1-CA 3.44Å; I38-A59 HydrophobicContact CD1-CB 3.82Å; I38-A59 HydrophobicContact CG1-CB 4.35Å; I38-A66 HydrophobicContact CG2-CB 4.39Å
39	D	95.9	Very high	94.8	Very high	33 Å²	33	57.2 Å²	57.2	18%	0.176	33%	0.326	C	S	.	.			trans	-78.2	111.2	165	176.9	-12.1	0	0	0	107.9	E20 E41 T42 G43 G44	E20-D39 HydrophobicContact CG-CB 4.15Å; D39-E41 PolarHBondContact O-N 3.28Å; D39-E41 WeakPolarHBondContact OD1-CA 3.43Å; D39-E41 WeakPolarHBondContact OD1-CB 3.42Å; D39-E41 PolarHBondContact OD1-N 2.95Å; D39-T42 WeakPolarHBondContact CB-OG1 3.08Å; D39-T42 PolarHBondContact OD1-N 2.98Å; D39-T42 WeakPolarHBondContact OD2-CB 3.36Å; D39-T42 VanDerWaalsContact OD2-CG2 3.24Å; D39-T42 WeakPolarHBondContact OD2-CG2 3.19Å; D39-T42 PolarHBondContact OD2-OG1 2.91Å; D39-G43 WeakPolarHBondContact O-CA 3.24Å; D39-G43 PolarHBondContact O-N 3.42Å; D39-G44 PolarHBondContact N-O 3.14Å
40	P	95.4	Very high	95.1	Very high	4 Å²	4	58.2 Å²	58.2	3%	0.026	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-23.3	-179.1	-20.8	36	0	0	0	113.1	F16 Y19 I38 A59 K61	F16-P40 HydrophobicContact CD1-CB 3.78Å; F16-P40 HydrophobicContact CD1-CG 4.3Å; F16-P40 HydrophobicContact CD2-CB 4.42Å; F16-P40 HydrophobicContact CD2-CG 4.06Å; F16-P40 HydrophobicContact CE1-CB 3.46Å; F16-P40 VanDerWaalsContact CE1-CB 3.46Å; F16-P40 HydrophobicContact CE1-CG 3.95Å; F16-P40 HydrophobicContact CE2-CB 4.13Å; F16-P40 HydrophobicContact CE2-CG 3.65Å; F16-P40 HydrophobicContact CG-CB 4.28Å; F16-P40 HydrophobicContact CG-CG 4.39Å; F16-P40 HydrophobicContact CZ-CB 3.65Å; F16-P40 HydrophobicContact CZ-CG 3.6Å; F16-P40 WeakPolarHBondContact O-CG 3.47Å; Y19-P40 WeakPolarHBondContact O-CD 3.21Å; Y19-P40 WeakPolarHBondContact O-CG 3.36Å; I38-P40 VanDerWaalsContact O-CD 3.25Å; I38-P40 WeakPolarHBondContact O-CD 2.9Å; P40-A59 HydrophobicContact CB-CB 4.08Å; P40-K61 WeakPolarHBondContact O-CE 2.99Å
41	E	95.3	Very high	95.6	Very high	100 Å²	100	52.3 Å²	52.3	47%	0.467	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-49.3	-179.4	-179	56.3	-166.8	0	0	111.9	T17 D39 K61	T17-E41 WeakPolarHBondContact CB-OE2 3.45Å; T17-E41 WeakPolarHBondContact CG2-OE2 3.48Å; T17-E41 WeakPolarHBondContact O-CB 3.47Å; D39-E41 PolarHBondContact O-N 3.28Å; D39-E41 WeakPolarHBondContact OD1-CA 3.43Å; D39-E41 WeakPolarHBondContact OD1-CB 3.42Å; D39-E41 PolarHBondContact OD1-N 2.95Å; E41-K61 WeakPolarHBondContact O-CE 3.31Å; E41-K61 PolarHBondContact O-NZ 3.4Å; E41-K61 IonicContact OE1-NZ 3.73Å; E41-K61 IonicContact OE2-NZ 2.77Å; E41-K61 PolarHBondContact OE2-NZ 2.63Å
42	T	96.3	Very high	95.6	Very high	105 Å²	105	57.3 Å²	57.3	64%	0.644	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-19.5	-176.9	66.9	0	0	0	0	113.5	D39 G44	D39-T42 WeakPolarHBondContact CB-OG1 3.08Å; D39-T42 PolarHBondContact OD1-N 2.98Å; D39-T42 WeakPolarHBondContact OD2-CB 3.36Å; D39-T42 VanDerWaalsContact OD2-CG2 3.24Å; D39-T42 WeakPolarHBondContact OD2-CG2 3.19Å; D39-T42 PolarHBondContact OD2-OG1 2.91Å; T42-G44 PolarHBondContact O-N 2.84Å; T42-G44 PolarHBondContact OG1-N 3.44Å; T42-G44 VanDerWaalsContact OG1-N 3.16Å
43	G	95.9	Very high	95.5	Very high	46 Å²	46	56 Å²	56	47%	0.474	32%	0.316	S	S	.	.			trans	73.9	6.7	-168.3	0	0	0	0	0	113.4	D39	D39-G43 WeakPolarHBondContact O-CA 3.24Å; D39-G43 PolarHBondContact O-N 3.42Å
44	G	96.9	Very high	95.5	Very high	37 Å²	37	57.1 Å²	57.1	38%	0.381	32%	0.321	S	S	.	.			trans	-60.6	138.6	175.1	0	0	0	0	0	111.1	I38 D39 T42	I38-G44 WeakPolarHBondContact CA-O 3.46Å; D39-G44 PolarHBondContact N-O 3.14Å; T42-G44 PolarHBondContact O-N 2.84Å; T42-G44 PolarHBondContact OG1-N 3.44Å; T42-G44 VanDerWaalsContact OG1-N 3.16Å
45	T	97.5	Very high	95.6	Very high	69 Å²	69	52.8 Å²	52.8	42%	0.423	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	140.3	179.7	53.3	0	0	0	0	111.8	A37 I38 Y47 L57	A37-T45 VanDerWaalsContact O-CA 3.3Å; A37-T45 WeakPolarHBondContact O-CA 3.27Å; I38-T45 HydrophobicContact CB-CG2 4.08Å; I38-T45 HydrophobicContact CD1-CG2 4.03Å; I38-T45 HydrophobicContact CG1-CG2 3.93Å; T45-Y47 WeakPolarHBondContact OG1-CE2 3.42Å; T45-L57 HydrophobicContact CG2-CB 4.1Å
46	A	96.6	Very high	95.7	Very high	46 Å²	46	55.5 Å²	55.5	38%	0.38	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.8	171.8	0	0	0	0	0	109.2	W34 G36 A37	W34-A46 HydrophobicContact CH2-CB 3.97Å; W34-A46 HydrophobicContact CZ2-CB 4.39Å; G36-A46 CarbonylContact C-O 3.55Å; G36-A46 WeakPolarHBondContact CA-O 3.38Å; A37-A46 PolarHBondContact N-O 3.23Å; A37-A46 PolarHBondContact O-N 3.4Å
47	Y	97.5	Very high	95.7	Very high	60 Å²	60	55.9 Å²	55.9	24%	0.235	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145.2	-177.1	-66.6	-88.4	0	0	0	111.3	T45 A55 L57	T45-Y47 WeakPolarHBondContact OG1-CE2 3.42Å; Y47-A55 HydrophobicContact CE1-CB 4.32Å; Y47-A55 VanDerWaalsContact CE1-O 3.31Å; Y47-A55 WeakPolarHBondContact CE1-O 2.99Å; Y47-L57 HydrophobicContact CE1-CD1 3.99Å; Y47-L57 HydrophobicContact CE1-CG 3.73Å; Y47-L57 PolarHBondContact OH-N 2.95Å; Y47-L57 VanDerWaalsContact OH-N 3.11Å
48	N	95.9	Very high	95.8	Very high	47 Å²	47	59.1 Å²	59.1	25%	0.251	34%	0.34	S	S	.	.			trans	-71	137	157.9	-178.8	-24.1	0	0	0	109.1	W34 I35 K50 F51 K52	W34-N48 HydrophobicContact CE3-CB 3.85Å; W34-N48 HydrophobicContact CZ3-CB 4.08Å; W34-N48 WeakPolarHBondContact O-CB 3.09Å; W34-N48 PolarHBondContact O-ND2 2.9Å; I35-N48 PolarHBondContact O-N 2.73Å; N48-K50 PolarHBondContact O-N 3.03Å; N48-K50 VanDerWaalsContact O-N 3.11Å; N48-K50 PolarHBondContact OD1-N 2.87Å; N48-K50 VanDerWaalsContact OD1-N 3.12Å; N48-F51 HydrophobicContact CB-CD2 4.05Å; N48-F51 PolarHBondContact O-N 2.84Å; N48-K52 PolarHBondContact O-N 2.95Å; N48-K52 VanDerWaalsContact O-N 3.14Å
49	Q	94.7	Very high	95.8	Very high	146 Å²	146	60.7 Å²	60.7	68%	0.682	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-33.2	-177.7	-63.9	-60.6	-26.3	0	0	113	F51 K52	Q49-F51 PolarHBondContact O-N 2.87Å; Q49-K52 PolarHBondContact O-N 3.5Å
50	K	91.9	Very high	95.9	Very high	142 Å²	142	61.8 Å²	61.8	62%	0.617	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.6	176.9	-71.1	-177.2	176	-177.1	0	113.8	E33 N48	E33-K50 IonicContact OE1-NZ 2.63Å; E33-K50 PolarHBondContact OE1-NZ 2.94Å; N48-K50 PolarHBondContact O-N 3.03Å; N48-K50 VanDerWaalsContact O-N 3.11Å; N48-K50 PolarHBondContact OD1-N 2.87Å; N48-K50 VanDerWaalsContact OD1-N 3.12Å
51	F	94.4	Very high	95.9	Very high	9 Å²	9	66.4 Å²	66.4	4%	0.039	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-4.8	-173.7	-61.6	-84.5	0	0	0	112.9	K25 E33 I35 N48 Q49 G53 K54 A55	K25-F51 HydrophobicContact CB-CZ 4.34Å; K25-F51 HydrophobicContact CD-CE1 3.96Å; K25-F51 HydrophobicContact CD-CZ 3.95Å; E33-F51 HydrophobicContact CB-CE2 4.4Å; E33-F51 HydrophobicContact CB-CZ 4.44Å; I35-F51 HydrophobicContact CB-CD2 4.27Å; I35-F51 HydrophobicContact CB-CG 4.23Å; I35-F51 HydrophobicContact CG1-CD1 4.21Å; I35-F51 HydrophobicContact CG1-CD2 4.26Å; I35-F51 HydrophobicContact CG1-CE1 4.12Å; I35-F51 HydrophobicContact CG1-CE2 4.16Å; I35-F51 HydrophobicContact CG1-CG 4.27Å; I35-F51 HydrophobicContact CG1-CZ 4.09Å; I35-F51 HydrophobicContact CG2-CB 3.71Å; I35-F51 HydrophobicContact CG2-CD1 4.04Å; I35-F51 HydrophobicContact CG2-CD2 4.27Å; I35-F51 HydrophobicContact CG2-CG 3.75Å; N48-F51 HydrophobicContact CB-CD2 4.05Å; N48-F51 PolarHBondContact O-N 2.84Å; Q49-F51 PolarHBondContact O-N 2.87Å; F51-G53 PolarHBondContact O-N 3.33Å; F51-K54 PolarHBondContact O-N 2.8Å; F51-A55 HydrophobicContact CB-CB 4.4Å; F51-A55 PolarHBondContact O-N 2.93Å
52	K	92.8	Very high	95.8	Very high	136 Å²	136	66.8 Å²	66.8	59%	0.591	39%	0.393	S	S	*	.	B	Isolated β-bridge	trans	-60.9	123.6	176.9	-168.2	173.4	-177.8	178.7	0	109.7	N48 Q49 K54	N48-K52 PolarHBondContact O-N 2.95Å; N48-K52 VanDerWaalsContact O-N 3.14Å; Q49-K52 PolarHBondContact O-N 3.5Å; K52-K54 PolarHBondContact O-N 2.87Å
53	G	91.6	Very high	95.8	Very high	72 Å²	72	63.4 Å²	63.4	74%	0.742	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-12.7	-175.5	0	0	0	0	0	114.8	F51	F51-G53 PolarHBondContact O-N 3.33Å
54	K	94.7	Very high	95.8	Very high	49 Å²	49	63.3 Å²	63.3	21%	0.213	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-41.3	173.2	-167.9	167.5	-165.3	170.3	0	112.3	F51 K52 R71 D77	F51-K54 PolarHBondContact O-N 2.8Å; K52-K54 PolarHBondContact O-N 2.87Å; K54-R71 PolarHBondContact O-N 2.84Å; K54-D77 VanDerWaalsContact CE-CG 3.49Å; K54-D77 VanDerWaalsContact CE-OD1 3.23Å; K54-D77 WeakPolarHBondContact CE-OD1 3.43Å; K54-D77 WeakPolarHBondContact CE-OD2 3.44Å; K54-D77 IonicContact NZ-OD1 3.5Å; K54-D77 PolarHBondContact NZ-OD1 2.8Å; K54-D77 IonicContact NZ-OD2 3.61Å; K54-D77 PolarHBondContact NZ-OD2 3.07Å
55	A	97.3	Very high	95.8	Very high	2 Å²	2	62.1 Å²	62.1	2%	0.017	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	140.3	175.8	0	0	0	0	0	110.8	I35 Y47 F51 M68 E69 L70	I35-A55 HydrophobicContact CG2-CB 3.74Å; Y47-A55 HydrophobicContact CE1-CB 4.32Å; Y47-A55 VanDerWaalsContact CE1-O 3.31Å; Y47-A55 WeakPolarHBondContact CE1-O 2.99Å; F51-A55 HydrophobicContact CB-CB 4.4Å; F51-A55 PolarHBondContact O-N 2.93Å; A55-M68 HydrophobicContact CB-CG 4.26Å; A55-M68 HydrophobicContact CB-SD 4.26Å; A55-E69 CarbonylContact C-O 3.58Å; A55-E69 WeakPolarHBondContact CA-O 3.47Å; A55-L70 HydrophobicContact CB-CD2 4.03Å
56	I	97.9	Very high	95.8	Very high	56 Å²	56	58.8 Å²	58.8	29%	0.287	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	122.3	168.5	-60.6	174.8	0	0	0	107.6	T58 M68 E69	I56-T58 HydrophobicContact CG2-CG2 4.37Å; I56-M68 WeakPolarHBondContact O-CA 3.03Å; I56-E69 HydrophobicContact CB-CB 4.31Å; I56-E69 PolarHBondContact N-O 2.98Å; I56-E69 PolarHBondContact O-N 2.87Å
57	L	98.3	Very high	95.9	Very high	8 Å²	8	59.8 Å²	59.8	4%	0.042	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.5	-179.4	-51.5	-177.3	0	0	0	110.2	W23 A37 I38 T45 Y47 Y67 M68	W23-L57 HydrophobicContact CG-CD2 4.15Å; A37-L57 WeakPolarHBondContact O-CD1 3.3Å; I38-L57 HydrophobicContact CB-CB 4.05Å; I38-L57 HydrophobicContact CD1-CB 4.44Å; I38-L57 HydrophobicContact CG2-CB 4.36Å; T45-L57 HydrophobicContact CG2-CB 4.1Å; Y47-L57 HydrophobicContact CE1-CD1 3.99Å; Y47-L57 HydrophobicContact CE1-CG 3.73Å; Y47-L57 PolarHBondContact OH-N 2.95Å; Y47-L57 VanDerWaalsContact OH-N 3.11Å; L57-Y67 WeakPolarHBondContact CA-O 3.25Å; L57-M68 HydrophobicContact CD2-CB 3.69Å; L57-M68 HydrophobicContact CD2-CG 3.57Å; L57-M68 HydrophobicContact CD2-SD 4.05Å
58	T	98.1	Very high	95.9	Very high	71 Å²	71	57 Å²	57	44%	0.436	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	162.1	173.7	63.4	0	0	0	0	110.5	I38 I56 A66 Y67	I38-T58 VanDerWaalsContact CD1-CA 3.44Å; I56-T58 HydrophobicContact CG2-CG2 4.37Å; T58-A66 CarbonylContact O-C 3.58Å; T58-A66 WeakPolarHBondContact O-CA 3.23Å; T58-Y67 PolarHBondContact N-O 2.82Å; T58-Y67 PolarHBondContact O-N 2.99Å
59	A	97.6	Very high	96	Very high	36 Å²	36	57 Å²	57	30%	0.298	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	141.1	179	0	0	0	0	0	110.2	F16 I38 P40	F16-A59 HydrophobicContact CE1-CB 4.15Å; F16-A59 HydrophobicContact CZ-CB 4.05Å; I38-A59 HydrophobicContact CD1-CB 3.82Å; I38-A59 HydrophobicContact CG1-CB 4.35Å; P40-A59 HydrophobicContact CB-CB 4.08Å
60	D	97.1	Very high	96.1	Very high	56 Å²	56	50 Å²	50	30%	0.299	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	108.8	171.8	174.2	11.9	0	0	0	109.1	S62 S63 S64 T65 Y67	D60-S62 VanDerWaalsContact C-N 3.28Å; D60-S62 VanDerWaalsContact CG-OG 3.32Å; D60-S62 PolarHBondContact O-N 3.31Å; D60-S62 WeakPolarHBondContact OD1-CB 3.32Å; D60-S62 PolarHBondContact OD1-N 3.22Å; D60-S62 PolarHBondContact OD1-OG 3.01Å; D60-S62 PolarHBondContact OD2-OG 2.91Å; D60-S63 WeakPolarHBondContact CB-OG 3.41Å; D60-S63 VanDerWaalsContact OD2-CB 3.3Å; D60-S63 WeakPolarHBondContact OD2-CB 3.25Å; D60-S63 PolarHBondContact OD2-OG 3.44Å; D60-S64 WeakPolarHBondContact O-CA 3.35Å; D60-S64 PolarHBondContact O-N 2.8Å; D60-T65 PolarHBondContact N-O 2.85Å; D60-T65 PolarHBondContact O-N 2.89Å; D60-Y67 HydrophobicContact CB-CE2 4.03Å
61	K	94.9	Very high	96.3	Very high	101 Å²	101	48.3 Å²	48.3	44%	0.439	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-37.9	178.6	-61.9	-173.8	178.5	-164.8	0	111.8	T17 P40 E41 S63 S64	T17-K61 HydrophobicContact CG2-CD 4.14Å; T17-K61 HydrophobicContact CG2-CG 4.13Å; P40-K61 WeakPolarHBondContact O-CE 2.99Å; E41-K61 WeakPolarHBondContact O-CE 3.31Å; E41-K61 PolarHBondContact O-NZ 3.4Å; E41-K61 IonicContact OE1-NZ 3.73Å; E41-K61 IonicContact OE2-NZ 2.77Å; E41-K61 PolarHBondContact OE2-NZ 2.63Å; K61-S63 VanDerWaalsContact C-N 3.34Å; K61-S63 PolarHBondContact O-N 2.94Å; K61-S64 PolarHBondContact O-N 3.25Å
62	S	94.3	Very high	96.2	Very high	108 Å²	108	51.7 Å²	51.7	76%	0.755	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-36.6	-173.1	73.2	0	0	0	0	112.4	D60	D60-S62 VanDerWaalsContact C-N 3.28Å; D60-S62 VanDerWaalsContact CG-OG 3.32Å; D60-S62 PolarHBondContact O-N 3.31Å; D60-S62 WeakPolarHBondContact OD1-CB 3.32Å; D60-S62 PolarHBondContact OD1-N 3.22Å; D60-S62 PolarHBondContact OD1-OG 3.01Å; D60-S62 PolarHBondContact OD2-OG 2.91Å
63	S	96	Very high	96.3	Very high	35 Å²	35	45.7 Å²	45.7	25%	0.245	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-1.4	177.5	65.4	0	0	0	0	113.6	D60 K61 T65	D60-S63 WeakPolarHBondContact CB-OG 3.41Å; D60-S63 VanDerWaalsContact OD2-CB 3.3Å; D60-S63 WeakPolarHBondContact OD2-CB 3.25Å; D60-S63 PolarHBondContact OD2-OG 3.44Å; K61-S63 VanDerWaalsContact C-N 3.34Å; K61-S63 PolarHBondContact O-N 2.94Å; S63-T65 PolarHBondContact O-N 2.02Å; S63-T65 PolarHBondContact O-OG1 3.41Å; S63-T65 VanDerWaalsContact O-OG1 3.04Å; S63-T65 WeakPolarHBondContact OG-CB 3Å; S63-T65 PolarHBondContact OG-OG1 2.84Å
64	S	95.4	Very high	96.4	Very high	44 Å²	44	44.5 Å²	44.5	31%	0.308	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	41.4	-172.9	-61.3	0	0	0	0	112.5	A11 F16 D60 K61	A11-S64 PolarHBondContact N-O 2.74Å; F16-S64 VanDerWaalsContact CD1-CA 3.47Å; D60-S64 WeakPolarHBondContact O-CA 3.35Å; D60-S64 PolarHBondContact O-N 2.8Å; K61-S64 PolarHBondContact O-N 3.25Å
65	T	97.2	Very high	96.2	Very high	11 Å²	11	45.8 Å²	45.8	7%	0.067	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.3	-173	-54.7	0	0	0	0	110.9	C9 D60 S63 Y67	C9-T65 CarbonylContact O-C 3.58Å; C9-T65 WeakPolarHBondContact O-CA 3.38Å; D60-T65 PolarHBondContact N-O 2.85Å; D60-T65 PolarHBondContact O-N 2.89Å; S63-T65 PolarHBondContact O-N 2.02Å; S63-T65 PolarHBondContact O-OG1 3.41Å; S63-T65 VanDerWaalsContact O-OG1 3.04Å; S63-T65 WeakPolarHBondContact OG-CB 3Å; S63-T65 PolarHBondContact OG-OG1 2.84Å; T65-Y67 HydrophobicContact CG2-CD1 4.35Å; T65-Y67 HydrophobicContact CG2-CD2 4.39Å; T65-Y67 HydrophobicContact CG2-CE1 3.73Å; T65-Y67 HydrophobicContact CG2-CE2 3.76Å; T65-Y67 WeakPolarHBondContact CG2-OH 3.1Å
66	A	97.4	Very high	95.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	151	167.6	0	0	0	0	0	110.2	S8 C9 F16 M21 W23 I38 T58	S8-A66 CarbonylContact C-O 3.56Å; S8-A66 WeakPolarHBondContact CA-O 3.43Å; C9-A66 PolarHBondContact N-O 2.78Å; C9-A66 PolarHBondContact O-N 2.95Å; F16-A66 HydrophobicContact CE2-CB 4.26Å; F16-A66 HydrophobicContact CZ-CB 4.02Å; M21-A66 HydrophobicContact CB-CB 3.92Å; M21-A66 HydrophobicContact CE-CB 4.49Å; M21-A66 HydrophobicContact CG-CB 3.58Å; W23-A66 HydrophobicContact CZ2-CB 4.25Å; I38-A66 HydrophobicContact CG2-CB 4.39Å; T58-A66 CarbonylContact O-C 3.58Å; T58-A66 WeakPolarHBondContact O-CA 3.23Å
67	Y	98.3	Very high	95.7	Very high	67 Å²	67	50.7 Å²	50.7	26%	0.263	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	146.8	178.9	-55.6	-90.9	0	0	0	110.8	T6 L7 L57 T58 D60 T65	T6-Y67 HydrophobicContact CG2-CD1 4.1Å; L7-Y67 CarbonylContact O-C 3.56Å; L7-Y67 VanDerWaalsContact O-CA 3.23Å; L7-Y67 WeakPolarHBondContact O-CA 3.44Å; L57-Y67 WeakPolarHBondContact CA-O 3.25Å; T58-Y67 PolarHBondContact N-O 2.82Å; T58-Y67 PolarHBondContact O-N 2.99Å; D60-Y67 HydrophobicContact CB-CE2 4.03Å; T65-Y67 HydrophobicContact CG2-CD1 4.35Å; T65-Y67 HydrophobicContact CG2-CD2 4.39Å; T65-Y67 HydrophobicContact CG2-CE1 3.73Å; T65-Y67 HydrophobicContact CG2-CE2 3.76Å; T65-Y67 WeakPolarHBondContact CG2-OH 3.1Å
68	M	98.3	Very high	95.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	113.1	169	177.5	176	69	0	0	109.2	T6 L7 W23 I35 A55 I56 L57 L70 Y81	T6-M68 WeakPolarHBondContact CA-O 3.42Å; L7-M68 HydrophobicContact CD1-CE 3.73Å; L7-M68 PolarHBondContact N-O 2.98Å; L7-M68 PolarHBondContact O-N 3.18Å; W23-M68 HydrophobicContact CB-SD 3.84Å; W23-M68 HydrophobicContact CD2-CB 3.71Å; W23-M68 HydrophobicContact CD2-CE 4.23Å; W23-M68 HydrophobicContact CD2-CG 4.49Å; W23-M68 HydrophobicContact CD2-SD 4.09Å; W23-M68 HydrophobicContact CE3-CB 3.99Å; W23-M68 HydrophobicContact CE3-CE 3.74Å; W23-M68 HydrophobicContact CE3-SD 4.22Å; W23-M68 HydrophobicContact CG-CB 4.19Å; W23-M68 HydrophobicContact CG-SD 3.96Å; W23-M68 HydrophobicContact CH2-CB 4.16Å; W23-M68 HydrophobicContact CZ2-CB 3.91Å; W23-M68 HydrophobicContact CZ3-CB 4.2Å; W23-M68 HydrophobicContact CZ3-CE 4.3Å; I35-M68 HydrophobicContact CB-SD 4.45Å; I35-M68 HydrophobicContact CD1-CE 3.78Å; I35-M68 HydrophobicContact CD1-SD 3.64Å; I35-M68 HydrophobicContact CG2-SD 3.81Å; A55-M68 HydrophobicContact CB-CG 4.26Å; A55-M68 HydrophobicContact CB-SD 4.26Å; I56-M68 WeakPolarHBondContact O-CA 3.03Å; L57-M68 HydrophobicContact CD2-CB 3.69Å; L57-M68 HydrophobicContact CD2-CG 3.57Å; L57-M68 HydrophobicContact CD2-SD 4.05Å; M68-L70 HydrophobicContact CE-CD1 3.96Å; M68-L70 HydrophobicContact CE-CD2 4.15Å; M68-L70 HydrophobicContact CE-CG 4Å; M68-L70 HydrophobicContact CG-CD2 4.34Å; M68-L70 HydrophobicContact CG-CG 4.33Å; M68-L70 HydrophobicContact SD-CD2 4.08Å; M68-L70 HydrophobicContact SD-CG 4.41Å; M68-Y81 HydrophobicContact CE-CD1 3.68Å; M68-Y81 HydrophobicContact CE-CE1 4.2Å; M68-Y81 HydrophobicContact CE-CG 4.42Å
69	E	98.1	Very high	95.4	Very high	47 Å²	47	49.2 Å²	49.2	22%	0.22	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	120.3	168.2	-169.2	-167.7	163	0	0	109	V5 A55 I56 R71	V5-E69 CarbonylContact O-C 3.52Å; V5-E69 WeakPolarHBondContact O-CA 3.39Å; A55-E69 CarbonylContact C-O 3.58Å; A55-E69 WeakPolarHBondContact CA-O 3.47Å; I56-E69 HydrophobicContact CB-CB 4.31Å; I56-E69 PolarHBondContact N-O 2.98Å; I56-E69 PolarHBondContact O-N 2.87Å; E69-R71 VanDerWaalsContact CD-NE 3.27Å; E69-R71 HydrophobicContact CG-CG 4.24Å; E69-R71 IonicContact OE1-CZ 3.5Å; E69-R71 IonicContact OE1-NE 2.79Å; E69-R71 PolarHBondContact OE1-NE 2.65Å; E69-R71 IonicContact OE1-NH2 3.35Å; E69-R71 PolarHBondContact OE1-NH2 2.88Å; E69-R71 IonicContact OE2-CZ 3.53Å; E69-R71 IonicContact OE2-NE 3.36Å; E69-R71 PolarHBondContact OE2-NE 3.11Å; E69-R71 IonicContact OE2-NH2 2.84Å; E69-R71 PolarHBondContact OE2-NH2 2.87Å
70	L	96.9	Very high	95.4	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.6	169.8	-67.4	170.2	0	0	0	108.9	S4 V5 A55 M68 L73 Y81 L98	S4-L70 CarbonylContact C-O 3.55Å; S4-L70 WeakPolarHBondContact CA-O 3.41Å; S4-L70 WeakPolarHBondContact CB-O 3.37Å; V5-L70 HydrophobicContact CG1-CB 4.23Å; V5-L70 PolarHBondContact N-O 3.01Å; V5-L70 PolarHBondContact O-N 2.79Å; A55-L70 HydrophobicContact CB-CD2 4.03Å; M68-L70 HydrophobicContact CE-CD1 3.96Å; M68-L70 HydrophobicContact CE-CD2 4.15Å; M68-L70 HydrophobicContact CE-CG 4Å; M68-L70 HydrophobicContact CG-CD2 4.34Å; M68-L70 HydrophobicContact CG-CG 4.33Å; M68-L70 HydrophobicContact SD-CD2 4.08Å; M68-L70 HydrophobicContact SD-CG 4.41Å; L70-L73 HydrophobicContact CB-CD2 3.83Å; L70-L73 HydrophobicContact CD1-CD2 4.41Å; L70-Y81 HydrophobicContact CD1-CD1 4.21Å; L70-Y81 HydrophobicContact CD1-CE1 3.59Å; L70-Y81 HydrophobicContact CD1-CE2 4.29Å; L70-L98 HydrophobicContact CD1-CD2 4.02Å
71	R	95.5	Very high	95.5	Very high	106 Å²	106	46.8 Å²	46.8	40%	0.4	26%	0.261	S	S	.	.			trans	-105.5	158.5	-178.6	-63.1	-170.1	169.4	170	6.6	112.2	K54 E69 L73	K54-R71 PolarHBondContact O-N 2.84Å; E69-R71 VanDerWaalsContact CD-NE 3.27Å; E69-R71 HydrophobicContact CG-CG 4.24Å; E69-R71 IonicContact OE1-CZ 3.5Å; E69-R71 IonicContact OE1-NE 2.79Å; E69-R71 PolarHBondContact OE1-NE 2.65Å; E69-R71 IonicContact OE1-NH2 3.35Å; E69-R71 PolarHBondContact OE1-NH2 2.88Å; E69-R71 IonicContact OE2-CZ 3.53Å; E69-R71 IonicContact OE2-NE 3.36Å; E69-R71 PolarHBondContact OE2-NE 3.11Å; E69-R71 IonicContact OE2-NH2 2.84Å; E69-R71 PolarHBondContact OE2-NH2 2.87Å; R71-L73 VanDerWaalsContact C-N 3.29Å; R71-L73 PolarHBondContact O-N 3.35Å
72	S	93.5	Very high	95.5	Very high	80 Å²	80	44.2 Å²	44.2	56%	0.559	25%	0.249	S	C	*	.	S	Bend	trans	54.6	45.8	172.6	-57.4	0	0	0	0	112.7	A3	A3-S72 PolarHBondContact O-N 3.43Å
73	L	93.9	Very high	95.5	Very high	9 Å²	9	39.8 Å²	39.8	5%	0.047	22%	0.217	C	C	.	.			trans	-59.5	138.3	-174	-70.6	172.5	0	0	0	112.4	P1 G2 A3 V5 L70 R71 D77 L98 V100	P1-L73 VanDerWaalsContact CA-O 3.25Å; P1-L73 WeakPolarHBondContact CA-O 3.24Å; G2-L73 PolarHBondContact N-O 2.86Å; A3-L73 WeakPolarHBondContact O-CB 3.45Å; A3-L73 WeakPolarHBondContact O-CG 3.44Å; A3-L73 PolarHBondContact O-N 3.27Å; V5-L73 HydrophobicContact CB-CD1 4.12Å; V5-L73 HydrophobicContact CG1-CD1 3.82Å; L70-L73 HydrophobicContact CB-CD2 3.83Å; L70-L73 HydrophobicContact CD1-CD2 4.41Å; R71-L73 VanDerWaalsContact C-N 3.29Å; R71-L73 PolarHBondContact O-N 3.35Å; L73-D77 WeakPolarHBondContact CA-OD2 3.15Å; L73-D77 HydrophobicContact CD2-CB 3.66Å; L73-L98 HydrophobicContact CD1-CD2 4.32Å; L73-L98 HydrophobicContact CD2-CD2 4.04Å; L73-V100 HydrophobicContact CB-CG1 4.2Å; L73-V100 HydrophobicContact CB-CG2 4.13Å; L73-V100 HydrophobicContact CD1-CG2 4.21Å; L73-V100 HydrophobicContact CD2-CG2 4.47Å
74	T	93.5	Very high	95.3	Very high	47 Å²	47	38.5 Å²	38.5	29%	0.288	21%	0.208	S	C	.	.			trans	-122.3	169	172.1	67	0	0	0	0	110.1	E76 D77 V100	T74-E76 PolarHBondContact O-N 3.14Å; T74-D77 PolarHBondContact N-OD2 2.8Å; T74-D77 WeakPolarHBondContact O-CB 3.37Å; T74-D77 PolarHBondContact O-N 2.85Å; T74-D77 PolarHBondContact OG1-OD2 3.31Å; T74-V100 WeakPolarHBondContact O-CB 3.32Å; T74-V100 WeakPolarHBondContact O-CG1 3.38Å
75	S	92	Very high	95	Very high	77 Å²	77	36.5 Å²	36.5	54%	0.538	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-57.4	-30	177.6	49.2	0	0	0	0	113	D77 S78	S75-D77 PolarHBondContact O-N 3.04Å; S75-S78 VanDerWaalsContact O-CB 3.29Å; S75-S78 WeakPolarHBondContact O-CB 3.3Å; S75-S78 PolarHBondContact O-N 3.49Å; S75-S78 VanDerWaalsContact O-N 3.11Å; S75-S78 PolarHBondContact O-OG 3.22Å
76	E	90	Very high	93.8	Very high	155 Å²	155	41 Å²	41	72%	0.724	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-66.7	-15.3	176.1	-61.1	178.5	174.2	0	0	113.7	K25 T74 S78	K25-E76 PolarHBondContact NZ-O 2.82Å; T74-E76 PolarHBondContact O-N 3.14Å; E76-S78 VanDerWaalsContact C-N 3.25Å
77	D	93.1	Very high	92	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.027	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-81.8	-5.7	174.2	-61.4	-48.7	0	0	0	113.2	K25 K54 L73 T74 S75 A79 Y81 V100	K25-D77 IonicContact NZ-OD1 2.76Å; K54-D77 VanDerWaalsContact CE-CG 3.49Å; K54-D77 VanDerWaalsContact CE-OD1 3.23Å; K54-D77 WeakPolarHBondContact CE-OD1 3.43Å; K54-D77 WeakPolarHBondContact CE-OD2 3.44Å; K54-D77 IonicContact NZ-OD1 3.5Å; K54-D77 PolarHBondContact NZ-OD1 2.8Å; K54-D77 IonicContact NZ-OD2 3.61Å; K54-D77 PolarHBondContact NZ-OD2 3.07Å; L73-D77 WeakPolarHBondContact CA-OD2 3.15Å; L73-D77 HydrophobicContact CD2-CB 3.66Å; T74-D77 PolarHBondContact N-OD2 2.8Å; T74-D77 WeakPolarHBondContact O-CB 3.37Å; T74-D77 PolarHBondContact O-N 2.85Å; T74-D77 PolarHBondContact OG1-OD2 3.31Å; S75-D77 PolarHBondContact O-N 3.04Å; D77-A79 PolarHBondContact O-N 2.77Å; D77-Y81 WeakPolarHBondContact O-CE2 3.43Å; D77-Y81 PolarHBondContact O-OH 2.82Å; D77-V100 HydrophobicContact CB-CG2 4.43Å
78	S	94.9	Very high	89.8	Confident	40 Å²	40	44.4 Å²	44.4	28%	0.28	25%	0.245	S	C	.	.			trans	-65.2	115.2	175.1	-55	0	0	0	0	110.2	S75 E76 L98 V100	S75-S78 VanDerWaalsContact O-CB 3.29Å; S75-S78 WeakPolarHBondContact O-CB 3.3Å; S75-S78 PolarHBondContact O-N 3.49Å; S75-S78 VanDerWaalsContact O-N 3.11Å; S75-S78 PolarHBondContact O-OG 3.22Å; E76-S78 VanDerWaalsContact C-N 3.25Å; S78-L98 CarbonylContact C-O 3.6Å; S78-L98 WeakPolarHBondContact CA-O 3.39Å; S78-V100 PolarHBondContact OG-N 2.75Å; S78-V100 PolarHBondContact OG-O 2.66Å
79	A	96.5	Very high	87.8	Confident	9 Å²	9	50.3 Å²	50.3	7%	0.074	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	171.4	-170.8	0	0	0	0	0	110.8	K25 Q26 T27 D77 Y81 L98	K25-A79 HydrophobicContact CD-CB 4.14Å; K25-A79 VanDerWaalsContact CE-CB 3.5Å; K25-A79 HydrophobicContact CG-CB 3.54Å; Q26-A79 VanDerWaalsContact O-CB 3.29Å; Q26-A79 WeakPolarHBondContact O-CB 3.23Å; T27-A79 HydrophobicContact CG2-CB 4.12Å; D77-A79 PolarHBondContact O-N 2.77Å; A79-Y81 HydrophobicContact CB-CD2 4.33Å; A79-Y81 HydrophobicContact CB-CE2 3.73Å; A79-L98 PolarHBondContact N-O 2.77Å; A79-L98 PolarHBondContact O-N 3.16Å
80	V	97.6	Very high	86.2	Confident	36 Å²	36	53.8 Å²	53.8	22%	0.218	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.3	164.2	-170.2	0	0	0	0	108.4	Q26 Y82 T96	Q26-V80 HydrophobicContact CB-CB 4.41Å; Q26-V80 PolarHBondContact N-O 3.44Å; Q26-V80 PolarHBondContact O-N 2.82Å; Q26-V80 VanDerWaalsContact O-N 3.11Å; V80-Y82 HydrophobicContact CB-CE2 3.8Å; V80-Y82 HydrophobicContact CG1-CD2 4.25Å; V80-Y82 HydrophobicContact CG1-CE1 4.12Å; V80-Y82 HydrophobicContact CG1-CE2 3.49Å; V80-Y82 VanDerWaalsContact CG1-CE2 3.49Å; V80-Y82 VanDerWaalsContact CG1-CZ 3.43Å; V80-Y82 WeakPolarHBondContact CG1-OH 3.37Å; V80-T96 WeakPolarHBondContact CA-O 3.16Å
81	Y	97.7	Very high	85.3	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.016	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.8	-179.3	-69.9	-92.3	0	0	0	110.2	L7 V24 K25 I35 M68 L70 D77 A79 G95 T96 L98	L7-Y81 VanDerWaalsContact CD1-CB 3.49Å; L7-Y81 HydrophobicContact CD1-CD1 4.23Å; L7-Y81 HydrophobicContact CD1-CD2 4.16Å; L7-Y81 HydrophobicContact CD1-CG 3.7Å; V24-Y81 CarbonylContact O-C 3.59Å; V24-Y81 WeakPolarHBondContact O-CA 3.16Å; K25-Y81 HydrophobicContact CB-CD1 4.18Å; K25-Y81 HydrophobicContact CB-CE1 3.89Å; K25-Y81 HydrophobicContact CD-CE1 4.11Å; K25-Y81 HydrophobicContact CG-CD1 4.35Å; K25-Y81 HydrophobicContact CG-CE1 3.77Å; I35-Y81 HydrophobicContact CD1-CD1 3.71Å; I35-Y81 HydrophobicContact CD1-CE1 3.77Å; M68-Y81 HydrophobicContact CE-CD1 3.68Å; M68-Y81 HydrophobicContact CE-CE1 4.2Å; M68-Y81 HydrophobicContact CE-CG 4.42Å; L70-Y81 HydrophobicContact CD1-CD1 4.21Å; L70-Y81 HydrophobicContact CD1-CE1 3.59Å; L70-Y81 HydrophobicContact CD1-CE2 4.29Å; D77-Y81 WeakPolarHBondContact O-CE2 3.43Å; D77-Y81 PolarHBondContact O-OH 2.82Å; A79-Y81 HydrophobicContact CB-CD2 4.33Å; A79-Y81 HydrophobicContact CB-CE2 3.73Å; Y81-G95 CarbonylContact O-C 3.53Å; Y81-G95 VanDerWaalsContact O-CA 3.25Å; Y81-G95 WeakPolarHBondContact O-CA 3.3Å; Y81-T96 PolarHBondContact N-O 3.21Å; Y81-T96 PolarHBondContact O-N 2.63Å; Y81-L98 HydrophobicContact CD2-CB 3.84Å; Y81-L98 HydrophobicContact CD2-CD2 4.41Å; Y81-L98 HydrophobicContact CE2-CB 3.71Å; Y81-L98 HydrophobicContact CE2-CD2 3.76Å; Y81-L98 HydrophobicContact CE2-CG 4.33Å
82	Y	96.1	Very high	85	Confident	47 Å²	47	59.6 Å²	59.6	18%	0.184	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	154.7	-178.2	-60.1	-91.4	0	0	0	110.9	W23 V24 Q26 V80 W92 G93 G95	W23-Y82 WeakPolarHBondContact CA-O 3.46Å; V24-Y82 PolarHBondContact N-O 3.11Å; V24-Y82 PolarHBondContact O-N 2.81Å; Q26-Y82 HydrophobicContact CB-CD2 4.2Å; Q26-Y82 HydrophobicContact CB-CE2 3.63Å; Q26-Y82 HydrophobicContact CG-CE2 4.43Å; Q26-Y82 VanDerWaalsContact OE1-CE2 3.22Å; Q26-Y82 PolarHBondContact OE1-OH 2.91Å; V80-Y82 HydrophobicContact CB-CE2 3.8Å; V80-Y82 HydrophobicContact CG1-CD2 4.25Å; V80-Y82 HydrophobicContact CG1-CE1 4.12Å; V80-Y82 HydrophobicContact CG1-CE2 3.49Å; V80-Y82 VanDerWaalsContact CG1-CE2 3.49Å; V80-Y82 VanDerWaalsContact CG1-CZ 3.43Å; V80-Y82 WeakPolarHBondContact CG1-OH 3.37Å; Y82-W92 HydrophobicContact CD1-CE3 4.18Å; Y82-W92 HydrophobicContact CG-CE3 4Å; Y82-W92 HydrophobicContact CG-CZ3 4.11Å; Y82-G93 WeakPolarHBondContact CD1-O 3.47Å; Y82-G95 VanDerWaalsContact CE1-CA 3.46Å
83	C	94.5	Very high	84.8	Confident	15 Å²	15	57 Å²	57	10%	0.101	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	150.1	165.1	59.8	0	0	0	0	110.2	C9 M21 H22 W23 G93	C9-C83 HydrophobicContact CB-CB 3.47Å; C9-C83 VanDerWaalsContact CB-CB 3.47Å; C9-C83 WeakPolarHBondContact CB-SG 3.4Å; C9-C83 WeakPolarHBondContact SG-CB 3.5Å; C9-C83 CovalentContact SG-SG 2.02Å; C9-C83 PolarHBondContact SG-SG 2.84Å; M21-C83 HydrophobicContact CG-CB 4.42Å; M21-C83 HydrophobicContact SD-CB 3.77Å; H22-C83 CarbonylContact O-C 3.55Å; H22-C83 WeakPolarHBondContact O-CA 3.41Å; W23-C83 HydrophobicContact CD2-CB 4.45Å; W23-C83 HydrophobicContact CE3-CB 4.24Å; W23-C83 HydrophobicContact CH2-CB 4.45Å; W23-C83 HydrophobicContact CZ3-CB 4.24Å; C83-G93 PolarHBondContact O-N 2.89Å
84	T	92.1	Very high	84.7	Confident	8 Å²	8	65.6 Å²	65.6	5%	0.049	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	153.2	179.2	-177	0	0	0	0	111.8	H22 Y91 W92	H22-T84 HydrophobicContact CB-CG2 3.76Å; H22-T84 PolarHBondContact N-O 3.34Å; H22-T84 PolarHBondContact O-N 3.36Å; T84-Y91 VanDerWaalsContact CA-O 3.27Å; T84-Y91 WeakPolarHBondContact CA-O 3.49Å; T84-Y91 VanDerWaalsContact CB-O 3.31Å; T84-Y91 WeakPolarHBondContact CB-O 3.47Å; T84-Y91 PolarHBondContact OG1-O 3.41Å; T84-W92 HydrophobicContact CG2-CH2 4.44Å; T84-W92 HydrophobicContact CG2-CZ2 4.32Å
85	S	87.8	Confident	84.7	Confident	3 Å²	3	64.5 Å²	64.5	2%	0.021	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.9	177.6	178.4	0	0	0	0	109.5	Y19 T87	Y19-S85 WeakPolarHBondContact CB-OG 3.45Å; S85-T87 PolarHBondContact O-N 3.04Å
86	I	71.3	Confident	84.9	Confident	105 Å²	105	64.7 Å²	64.7	54%	0.538	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	0.6	-158.1	-100.2	-165.5	0	0	0	117.7	H22 T88	H22-I86 VanDerWaalsContact CD2-CG1 3.46Å; H22-I86 WeakPolarHBondContact CD2-CG1 3.36Å; H22-I86 VanDerWaalsContact CE1-CD1 3.41Å; H22-I86 WeakPolarHBondContact CE1-CD1 3.43Å; H22-I86 WeakPolarHBondContact ND1-CD1 3.48Å; H22-I86 WeakPolarHBondContact NE2-CB 3.43Å; I86-T88 PolarHBondContact O-N 3.26Å
87	T	60.9	Low	85.3	Confident	86 Å²	86	62 Å²	62	53%	0.528	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-16.2	177.2	50.1	0	0	0	0	113.8	Y19 S85	Y19-T87 HydrophobicContact CD1-CG2 3.17Å; Y19-T87 WeakPolarHBondContact CD1-OG1 2.93Å; Y19-T87 HydrophobicContact CE1-CG2 3.3Å; Y19-T87 WeakPolarHBondContact CE1-OG1 3.2Å; Y19-T87 HydrophobicContact CG-CG2 4.37Å; S85-T87 PolarHBondContact O-N 3.04Å
88	T	52.3	Low	85.3	Confident	53 Å²	53	63 Å²	63	33%	0.325	35%	0.345	S	S	.	.			trans	-147.1	139.8	166.9	50.7	0	0	0	0	108	I86 D90	I86-T88 PolarHBondContact O-N 3.26Å; T88-D90 VanDerWaalsContact CB-OD2 3.32Å; T88-D90 WeakPolarHBondContact CB-OD2 3.47Å; T88-D90 PolarHBondContact O-N 3.05Å
89	V	56.2	Low	85.3	Confident	123 Å²	123	66.3 Å²	66.3	75%	0.745	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	7.4	167.5	-90.5	0	0	0	0	113.3	W92	V89-W92 VanDerWaalsContact O-CD1 3.29Å; V89-W92 PolarHBondContact O-NE1 3.43Å
90	D	64.1	Low	85.1	Confident	120 Å²	120	67 Å²	67	64%	0.642	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-19.6	-167.7	-61.5	-25.5	0	0	0	113.4	T88	T88-D90 VanDerWaalsContact CB-OD2 3.32Å; T88-D90 WeakPolarHBondContact CB-OD2 3.47Å; T88-D90 PolarHBondContact O-N 3.05Å
91	Y	77.5	Confident	84.6	Confident	126 Å²	126	70.4 Å²	70.4	49%	0.494	39%	0.393	S	S	.	.			trans	-114.9	95.6	-178.4	-63.5	-76.2	0	0	0	112.2	T84	T84-Y91 VanDerWaalsContact CA-O 3.27Å; T84-Y91 WeakPolarHBondContact CA-O 3.49Å; T84-Y91 VanDerWaalsContact CB-O 3.31Å; T84-Y91 WeakPolarHBondContact CB-O 3.47Å; T84-Y91 PolarHBondContact OG1-O 3.41Å
92	W	88.8	Confident	83.6	Confident	103 Å²	103	78 Å²	78	39%	0.39	45%	0.447	S	S	.	.	B	Isolated β-bridge	trans	-106.9	136.3	167.7	-73.6	74.2	0	0	0	110.3	V24 L32 Y82 T84 V89	V24-W92 HydrophobicContact CB-CH2 4.32Å; V24-W92 HydrophobicContact CB-CZ3 4.1Å; V24-W92 HydrophobicContact CG1-CH2 4.29Å; V24-W92 HydrophobicContact CG1-CZ3 4.3Å; V24-W92 HydrophobicContact CG2-CH2 3.99Å; V24-W92 HydrophobicContact CG2-CZ3 4.14Å; L32-W92 HydrophobicContact CD1-CH2 4.13Å; Y82-W92 HydrophobicContact CD1-CE3 4.18Å; Y82-W92 HydrophobicContact CG-CE3 4Å; Y82-W92 HydrophobicContact CG-CZ3 4.11Å; T84-W92 HydrophobicContact CG2-CH2 4.44Å; T84-W92 HydrophobicContact CG2-CZ2 4.32Å; V89-W92 VanDerWaalsContact O-CD1 3.29Å; V89-W92 PolarHBondContact O-NE1 3.43Å
93	G	89.4	Confident	82.9	Confident	27 Å²	27	79.6 Å²	79.6	28%	0.278	46%	0.46	S	S	.	.			trans	-61.4	158.6	163.6	0	0	0	0	0	110.8	Y82 C83 G95	Y82-G93 WeakPolarHBondContact CD1-O 3.47Å; C83-G93 PolarHBondContact O-N 2.89Å; G93-G95 PolarHBondContact O-N 3.27Å
94	Q	92.4	Very high	82.3	Confident	188 Å²	188	82.9 Å²	82.9	88%	0.879	48%	0.479	S	S	*	.			trans	-62.3	-15	179.7	-66.4	-64.4	-49.9	0	0	113.9
95	G	94.1	Very high	81.8	Confident	25 Å²	25	87.1 Å²	87.1	26%	0.258	50%	0.502	S	S	.	.			trans	82.3	147	-174.1	0	0	0	0	0	112.1	Y81 Y82 G93	Y81-G95 CarbonylContact O-C 3.53Å; Y81-G95 VanDerWaalsContact O-CA 3.25Å; Y81-G95 WeakPolarHBondContact O-CA 3.3Å; Y82-G95 VanDerWaalsContact CE1-CA 3.46Å; G93-G95 PolarHBondContact O-N 3.27Å
96	T	96.6	Very high	81.4	Confident	81 Å²	81	92.1 Å²	92.1	50%	0.497	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.3	174.9	-69.2	0	0	0	0	109	L7 V80 Y81	L7-T96 HydrophobicContact CD2-CG2 4.36Å; V80-T96 WeakPolarHBondContact CA-O 3.16Å; Y81-T96 PolarHBondContact N-O 3.21Å; Y81-T96 PolarHBondContact O-N 2.63Å
97	T	96.8	Very high	82.1	Confident	99 Å²	99	91.3 Å²	91.3	61%	0.607	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	124	174.3	-58.4	0	0	0	0	109.5
98	L	94.8	Very high	83.5	Confident	24 Å²	24	91.6 Å²	91.6	13%	0.126	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.4	168.3	176.9	64.9	0	0	0	108.2	V5 L70 L73 S78 A79 Y81 V100	V5-L98 HydrophobicContact CG1-CD1 4.05Å; V5-L98 HydrophobicContact CG1-CD2 3.85Å; L70-L98 HydrophobicContact CD1-CD2 4.02Å; L73-L98 HydrophobicContact CD1-CD2 4.32Å; L73-L98 HydrophobicContact CD2-CD2 4.04Å; S78-L98 CarbonylContact C-O 3.6Å; S78-L98 WeakPolarHBondContact CA-O 3.39Å; A79-L98 PolarHBondContact N-O 2.77Å; A79-L98 PolarHBondContact O-N 3.16Å; Y81-L98 HydrophobicContact CD2-CB 3.84Å; Y81-L98 HydrophobicContact CD2-CD2 4.41Å; Y81-L98 HydrophobicContact CE2-CB 3.71Å; Y81-L98 HydrophobicContact CE2-CD2 3.76Å; Y81-L98 HydrophobicContact CE2-CG 4.33Å; L98-V100 HydrophobicContact CD2-CG2 4.43Å; L98-V100 HydrophobicContact CG-CG2 4.19Å
99	T	94.1	Very high	85.7	Confident	110 Å²	110	94.4 Å²	94.4	68%	0.675	55%	0.545	S	S	*	.			trans	-119.6	125.7	175.6	-55.7	0	0	0	0	109
100	V	91.6	Very high	88	Confident	25 Å²	25	92.2 Å²	92.2	15%	0.152	53%	0.53	C	S	.	.			trans	-117.2	109.6	178.6	-173.7	0	0	0	0	108.4	L73 T74 D77 S78 L98	L73-V100 HydrophobicContact CB-CG1 4.2Å; L73-V100 HydrophobicContact CB-CG2 4.13Å; L73-V100 HydrophobicContact CD1-CG2 4.21Å; L73-V100 HydrophobicContact CD2-CG2 4.47Å; T74-V100 WeakPolarHBondContact O-CB 3.32Å; T74-V100 WeakPolarHBondContact O-CG1 3.38Å; D77-V100 HydrophobicContact CB-CG2 4.43Å; S78-V100 PolarHBondContact OG-N 2.75Å; S78-V100 PolarHBondContact OG-O 2.66Å; L98-V100 HydrophobicContact CD2-CG2 4.43Å; L98-V100 HydrophobicContact CG-CG2 4.19Å
101	S	86.7	Confident	90	Very high	106 Å²	106	89.8 Å²	89.8	74%	0.741	52%	0.52	S	S	*	.			trans	-91.7	149.1	172.8	55.4	0	0	0	0	111.4
102	S	77.1	Confident	91.1	Very high	164 Å²	164	86.5 Å²	86.5	100%	1.147	52%	0.523	S	S	*	.			trans	-76	0	173.9	57.7	0	0	0	0	112.4

Retrieved 102 of 102 residues in 25.7 ms (Link to these results)

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